smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(Cl)nc(N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)c1C#N ZINC001164744947 720622392 /nfs/dbraw/zinc/62/23/92/720622392.db2.gz SJZPNIRRPQRLCP-UONOGXRCSA-N 0 1 370.844 2.047 20 30 FEEDMN N#Cc1c(Cl)ccnc1N1CCN2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164871914 721064654 /nfs/dbraw/zinc/06/46/54/721064654.db2.gz ZQNFCZYMABWXIL-HZPDHXFCSA-N 0 1 369.856 2.481 20 30 FEEDMN Cn1cc(CN2CC[C@H]3CN(c4ncc(Cl)cc4C#N)C[C@H]3C2)cn1 ZINC001164766849 721177293 /nfs/dbraw/zinc/17/72/93/721177293.db2.gz JHOUGPAKOSHTJO-GOEBONIOSA-N 0 1 356.861 2.298 20 30 FEEDMN Cc1cnc(N2CC[C@]3(C2)CCC[C@@H](CN2CCN(C)CC2)O3)c(C#N)c1 ZINC001164887180 721386760 /nfs/dbraw/zinc/38/67/60/721386760.db2.gz HHGRTRHEPGNZPW-FPOVZHCZSA-N 0 1 369.513 2.027 20 30 FEEDMN COc1ccc(-c2n[nH]c(SCC(=O)N[C@@](C)(C#N)C3CC3)n2)cc1 ZINC000006141829 539423104 /nfs/dbraw/zinc/42/31/04/539423104.db2.gz IONRDOLBSQMNFV-KRWDZBQOSA-N 0 1 357.439 2.381 20 30 FEEDMN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N1CCN(CCc2ccccc2)CC1 ZINC000022747557 539698198 /nfs/dbraw/zinc/69/81/98/539698198.db2.gz ITJZECVRQPFHKX-GHTZIAJQSA-N 0 1 356.514 2.290 20 30 FEEDMN N#CCc1ccc(OC[C@H](O)CN2CCN(c3ccc(O)cc3)CC2)cc1 ZINC000025865910 539771417 /nfs/dbraw/zinc/77/14/17/539771417.db2.gz MHMZLSFNQWSRAS-HXUWFJFHSA-N 0 1 367.449 2.020 20 30 FEEDMN N#Cc1ccnc(N2CCN(CCC(=O)Nc3cccc(F)c3)CC2)c1 ZINC000025941155 539772940 /nfs/dbraw/zinc/77/29/40/539772940.db2.gz AOYIEPCNUUZSHD-UHFFFAOYSA-N 0 1 353.401 2.243 20 30 FEEDMN N#Cc1ccc(NC(=O)CCN2CCN(c3cnccn3)CC2)cc1Cl ZINC000026170987 539778914 /nfs/dbraw/zinc/77/89/14/539778914.db2.gz BVKDBHBSIKFQSI-UHFFFAOYSA-N 0 1 370.844 2.152 20 30 FEEDMN CN1CCC(C#N)(NC(=O)c2ccccc2I)CC1 ZINC000040221804 540008595 /nfs/dbraw/zinc/00/85/95/540008595.db2.gz MYONXAFLNYFLDD-UHFFFAOYSA-N 0 1 369.206 2.009 20 30 FEEDMN COc1ccc(Br)c(C(=O)NC2(C#N)CCN(C)CC2)c1 ZINC000040221739 540008669 /nfs/dbraw/zinc/00/86/69/540008669.db2.gz PITMGGSMCFFLMV-UHFFFAOYSA-N 0 1 352.232 2.175 20 30 FEEDMN C=CCOc1ccc(C(=O)NCCCN2C[C@@H](C)O[C@H](C)C2)cc1OC ZINC000047434107 540310175 /nfs/dbraw/zinc/31/01/75/540310175.db2.gz GACGSDVUKNUZAA-HZPDHXFCSA-N 0 1 362.470 2.489 20 30 FEEDMN CN(C)CCN(Cc1ccc(C#N)cc1)S(=O)(=O)N1CCCCCC1 ZINC000047281096 540301647 /nfs/dbraw/zinc/30/16/47/540301647.db2.gz VNCJWFCXFSHESD-UHFFFAOYSA-N 0 1 364.515 2.043 20 30 FEEDMN COc1cc(/C=C/C(=O)N2CCN(CC3CC3)CC2)ccc1OCC#N ZINC000055668392 540669256 /nfs/dbraw/zinc/66/92/56/540669256.db2.gz ZYHYYUJTYPCJFD-FNORWQNLSA-N 0 1 355.438 2.165 20 30 FEEDMN CC(C)(C)n1cc(C#N)c(=NC(=O)C(=O)NCCCc2cccs2)[nH]1 ZINC000540313705 541045182 /nfs/dbraw/zinc/04/51/82/541045182.db2.gz MSDYTBADKPCJCH-UHFFFAOYSA-N 0 1 359.455 2.259 20 30 FEEDMN COCCN(CCCc1ccccc1)CC(=O)N(CCC#N)CCC#N ZINC000065958546 541274898 /nfs/dbraw/zinc/27/48/98/541274898.db2.gz YLTCAASIPAAQGZ-UHFFFAOYSA-N 0 1 356.470 2.224 20 30 FEEDMN CN(C)CCN(Cc1cccc(C#N)c1)S(=O)(=O)CCc1ccccc1 ZINC000065975159 541276188 /nfs/dbraw/zinc/27/61/88/541276188.db2.gz ZUSWWLVRNZTGJO-UHFFFAOYSA-N 0 1 371.506 2.494 20 30 FEEDMN C=C(C)COc1cccc(NC(=O)CN(C)c2ncnc3[nH]cnc32)c1 ZINC000066727125 541366332 /nfs/dbraw/zinc/36/63/32/541366332.db2.gz CMMUYDHPUXEHPZ-UHFFFAOYSA-N 0 1 352.398 2.383 20 30 FEEDMN CNS(=O)(=O)c1cccc(CNCc2ccc(N(C)CCC#N)cc2)c1 ZINC000066988981 541404851 /nfs/dbraw/zinc/40/48/51/541404851.db2.gz LUPSVIKWTNTQHX-UHFFFAOYSA-N 0 1 372.494 2.234 20 30 FEEDMN CN(C1CCN(CCc2ccccn2)CC1)S(=O)(=O)CCCCC#N ZINC000068907304 541639168 /nfs/dbraw/zinc/63/91/68/541639168.db2.gz NTHOZTGNCSFNKV-UHFFFAOYSA-N 0 1 364.515 2.044 20 30 FEEDMN CCc1cc(CNC(=O)COc2cccc(Br)c2C#N)n[nH]1 ZINC000825818814 675670037 /nfs/dbraw/zinc/67/00/37/675670037.db2.gz JKAUZIGTURSHLT-UHFFFAOYSA-N 0 1 363.215 2.301 20 30 FEEDMN N#C[C@@H](NC(=O)CCN1CCN(c2ccccn2)CC1)c1ccccc1F ZINC000073336981 541945295 /nfs/dbraw/zinc/94/52/95/541945295.db2.gz XPGXWFFSCNZZTE-GOSISDBHSA-N 0 1 367.428 2.114 20 30 FEEDMN COC[C@@H](O)C/N=C\c1cc(Br)cc(Br)c1O ZINC000801646302 674141473 /nfs/dbraw/zinc/14/14/73/674141473.db2.gz OFISEZNYIPQFRH-JKIUMEFJSA-N 0 1 367.037 2.343 20 30 FEEDMN C#CCN1CCC(C(=O)N2CCC(Nc3cccc(OC)c3)CC2)CC1 ZINC000077015398 542341909 /nfs/dbraw/zinc/34/19/09/542341909.db2.gz LXLVULOKJJCPMA-UHFFFAOYSA-N 0 1 355.482 2.443 20 30 FEEDMN Cc1cc(C#N)ccc1S(=O)(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000077373228 542373949 /nfs/dbraw/zinc/37/39/49/542373949.db2.gz NBROAQJSEGYBSW-SFHVURJKSA-N 0 1 357.479 2.318 20 30 FEEDMN C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@H]1CN(C)CCN1C ZINC000077468631 542385094 /nfs/dbraw/zinc/38/50/94/542385094.db2.gz QKVHZNDMVKZGCJ-CABCVRRESA-N 0 1 361.515 2.448 20 30 FEEDMN Cc1cc(-c2noc(CCC(=O)NC3(C#N)CCN(C)CC3)n2)ccc1F ZINC000080349733 542585523 /nfs/dbraw/zinc/58/55/23/542585523.db2.gz KKEUQUZBBMOSIH-UHFFFAOYSA-N 0 1 371.416 2.221 20 30 FEEDMN CCN1CCN(CC(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)CC1 ZINC000081257198 542641965 /nfs/dbraw/zinc/64/19/65/542641965.db2.gz HOXJYUHZNSJWHK-UHFFFAOYSA-N 0 1 370.375 2.075 20 30 FEEDMN CN1CCCN(C(=O)c2ccccc2NC(=O)C#Cc2ccccc2)CC1 ZINC000081626442 542669231 /nfs/dbraw/zinc/66/92/31/542669231.db2.gz PRKYEFAKXMJQOE-UHFFFAOYSA-N 0 1 361.445 2.455 20 30 FEEDMN C#CCN1CCC(C(=O)N(CC(=O)OC)[C@H](CC)c2ccccc2)CC1 ZINC000090687132 542788569 /nfs/dbraw/zinc/78/85/69/542788569.db2.gz HYSASNMDCLXELI-LJQANCHMSA-N 0 1 356.466 2.485 20 30 FEEDMN CC(C)[C@@H](C#N)N1CCN(C(=O)CN(C)CCCOc2ccccc2)CC1 ZINC000092617018 542875338 /nfs/dbraw/zinc/87/53/38/542875338.db2.gz MYHBVFYMGLRPOX-HXUWFJFHSA-N 0 1 372.513 2.080 20 30 FEEDMN C=CCNC(=O)NC(=O)CN1CCC(n2c(CC)nc3ccccc32)CC1 ZINC000093302121 542924687 /nfs/dbraw/zinc/92/46/87/542924687.db2.gz BVGZLWPCJSYAMB-UHFFFAOYSA-N 0 1 369.469 2.247 20 30 FEEDMN C[C@H](C(=O)N(C)CCC#N)N1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC000101917701 543049206 /nfs/dbraw/zinc/04/92/06/543049206.db2.gz NJSDIEYZHJDBJI-CQSZACIVSA-N 0 1 360.433 2.237 20 30 FEEDMN C#CCNC(=O)[C@@H](C)N1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000102401365 543068332 /nfs/dbraw/zinc/06/83/32/543068332.db2.gz ANIWYNMMKMZOFY-HIFRSBDPSA-N 0 1 356.401 2.193 20 30 FEEDMN COc1ccccc1CN(CCO)CCC(=O)Nc1ccc(C#N)cc1 ZINC000103144160 543095012 /nfs/dbraw/zinc/09/50/12/543095012.db2.gz HHNPQQQTEYMENV-UHFFFAOYSA-N 0 1 353.422 2.390 20 30 FEEDMN COc1ccnc(N2CCN(C(=O)CSc3ccc(C#N)cc3)CC2)c1 ZINC000104521534 543133456 /nfs/dbraw/zinc/13/34/56/543133456.db2.gz YDHGFOBMWVDEQG-UHFFFAOYSA-N 0 1 368.462 2.403 20 30 FEEDMN C[C@H](C(=O)NC1(C#N)CCCCC1)N(C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000106077207 543190698 /nfs/dbraw/zinc/19/06/98/543190698.db2.gz YVIHEAMOHKSFJP-IAGOWNOFSA-N 0 1 370.501 2.108 20 30 FEEDMN Cc1nc([C@H](NC(=O)Cc2ccc(OCC#N)cc2)c2ccccc2)n[nH]1 ZINC000110695834 543365758 /nfs/dbraw/zinc/36/57/58/543365758.db2.gz PSXVIWOSRNPYAK-LJQANCHMSA-N 0 1 361.405 2.464 20 30 FEEDMN COc1ccc(-c2n[nH]c(CNC(=O)NCc3cccc(C#N)c3)n2)cc1 ZINC000111815283 543417604 /nfs/dbraw/zinc/41/76/04/543417604.db2.gz 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N#Cc1cnn(-c2ccccc2)c1NC(=O)CN(CCO)C1CCCCC1 ZINC000110035997 543346874 /nfs/dbraw/zinc/34/68/74/543346874.db2.gz DWIOYIPNCWCHFE-UHFFFAOYSA-N 0 1 367.453 2.309 20 30 FEEDMN Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)N[C@H](C#N)c1ccc(Cl)cc1 ZINC000113174725 543476254 /nfs/dbraw/zinc/47/62/54/543476254.db2.gz BWWUGQHOVYELKP-OAHLLOKOSA-N 0 1 369.812 2.216 20 30 FEEDMN O=C(NCCNCc1ccc(CSC(F)F)o1)C1N=CC=CC1=O ZINC000113361188 543484628 /nfs/dbraw/zinc/48/46/28/543484628.db2.gz LCTIGZAJMHRBFL-YPKPFQOOSA-N 0 1 357.382 2.351 20 30 FEEDMN CCN1CCN([C@H]2CCN(c3nc(C(F)(F)F)ccc3C#N)C2)CC1 ZINC000115518015 543571272 /nfs/dbraw/zinc/57/12/72/543571272.db2.gz WUUUQFSFIRCFIN-AWEZNQCLSA-N 0 1 353.392 2.188 20 30 FEEDMN N#Cc1ccc([C@@H](Nc2ccc(CCN3CCOCC3)cc2)C(N)=O)cc1 ZINC000115597905 543577730 /nfs/dbraw/zinc/57/77/30/543577730.db2.gz SIPUEVYYGLGAGP-HXUWFJFHSA-N 0 1 364.449 2.071 20 30 FEEDMN N#Cc1ccc(NC(=O)C(=O)NC2CCN(Cc3ccsc3)CC2)cc1 ZINC000115881186 543592468 /nfs/dbraw/zinc/59/24/68/543592468.db2.gz MQXDOHBKNRTUFF-UHFFFAOYSA-N 0 1 368.462 2.339 20 30 FEEDMN CN(CCCc1[nH]nc(N)c1C#N)CC(=O)Nc1ccc(F)c(Cl)c1 ZINC000125447558 543882217 /nfs/dbraw/zinc/88/22/17/543882217.db2.gz YCGSXASCZMYPBI-UHFFFAOYSA-N 0 1 364.812 2.159 20 30 FEEDMN CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000126653036 543948918 /nfs/dbraw/zinc/94/89/18/543948918.db2.gz UWOGDPKOGQGBSA-SFHVURJKSA-N 0 1 371.481 2.286 20 30 FEEDMN N#Cc1ccc(NC(=O)C(=O)N2CCN(CC3CCCCC3)CC2)c(F)c1 ZINC000136121502 544367275 /nfs/dbraw/zinc/36/72/75/544367275.db2.gz FGAGKSBMGLERCA-UHFFFAOYSA-N 0 1 372.444 2.360 20 30 FEEDMN N#Cc1cc(NC(=O)[C@@H]2CCCc3[nH]ncc32)ccc1N1CCC(O)CC1 ZINC000136949180 544381570 /nfs/dbraw/zinc/38/15/70/544381570.db2.gz ULIIXRNZEFFZJV-MRXNPFEDSA-N 0 1 365.437 2.301 20 30 FEEDMN CN(C)C[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(C#N)cc1F ZINC000151091288 544504115 /nfs/dbraw/zinc/50/41/15/544504115.db2.gz FUDGCMQPUXVYSY-MRXNPFEDSA-N 0 1 361.442 2.149 20 30 FEEDMN Cc1cc(C[C@@H](C)NC(=O)N[C@@H]2CCCN(c3ccccc3C#N)C2)n[nH]1 ZINC000152082422 544612030 /nfs/dbraw/zinc/61/20/30/544612030.db2.gz QERTVFLEIIWLBP-RHSMWYFYSA-N 0 1 366.469 2.489 20 30 FEEDMN Cc1nsc(NCCCCN2CCN(c3ncccn3)CC2)c1C#N ZINC000553363085 674255554 /nfs/dbraw/zinc/25/55/54/674255554.db2.gz AGJWPOWWLZTMFI-UHFFFAOYSA-N 0 1 357.487 2.128 20 30 FEEDMN Cn1cc([C@H]2NC(=N)Nc3nc4ccccc4n32)c(-c2ccc(C#N)cc2)n1 ZINC000182064380 327759178 /nfs/dbraw/zinc/75/91/78/327759178.db2.gz FFJZJVFESYDUPN-SFHVURJKSA-N 0 1 368.404 2.405 20 30 FEEDMN C[C@H]1CCN(CCC(=O)Nc2sc3c(c2C#N)CCCC3)[C@H](C(N)=O)C1 ZINC000187371111 328020503 /nfs/dbraw/zinc/02/05/03/328020503.db2.gz LJIMTMYPTHHUJP-WFASDCNBSA-N 0 1 374.510 2.413 20 30 FEEDMN CCn1nccc1N1CCC[C@H](NCc2ccc(OC)c(C#N)c2)C1=O ZINC000191642757 328275313 /nfs/dbraw/zinc/27/53/13/328275313.db2.gz NDXOCOJQODNJPV-INIZCTEOSA-N 0 1 353.426 2.068 20 30 FEEDMN CCN(CC(=O)NCCCN1CCCC1=O)[C@@H](C)c1ccc(C#N)cc1 ZINC000193726544 328391996 /nfs/dbraw/zinc/39/19/96/328391996.db2.gz JRQQJXHZEOKVRG-INIZCTEOSA-N 0 1 356.470 2.070 20 30 FEEDMN COc1ccccc1[C@@H](CNC(=O)c1cc(C#N)cn1C)N1CCCC1 ZINC000081562955 325184564 /nfs/dbraw/zinc/18/45/64/325184564.db2.gz MXDCGCYKCCSAJD-GOSISDBHSA-N 0 1 352.438 2.472 20 30 FEEDMN C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)c1C#N ZINC000089673927 325326037 /nfs/dbraw/zinc/32/60/37/325326037.db2.gz WTICYALNRDUBBK-UHFFFAOYSA-N 0 1 369.425 2.105 20 30 FEEDMN CN(C)C[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000103156425 325508611 /nfs/dbraw/zinc/50/86/11/325508611.db2.gz DFGWZYNINCMUSV-MRXNPFEDSA-N 0 1 361.442 2.149 20 30 FEEDMN CN1CCN(CCOc2ccc(NC(=O)c3cccc(C#N)c3)cc2)CC1 ZINC000174043966 327303431 /nfs/dbraw/zinc/30/34/31/327303431.db2.gz KWPBDBDNODPIKK-UHFFFAOYSA-N 0 1 364.449 2.437 20 30 FEEDMN CC(C)c1noc(CCCNS(=O)(=O)c2c(F)cc(C#N)cc2F)n1 ZINC000177135394 327500213 /nfs/dbraw/zinc/50/02/13/327500213.db2.gz ZSKKBAAWCPWYSH-UHFFFAOYSA-N 0 1 370.381 2.254 20 30 FEEDMN CC(C)N1CC[C@@H](N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)C1=O ZINC000267008477 329282758 /nfs/dbraw/zinc/28/27/58/329282758.db2.gz LKUDEMLLWGSEBD-GOSISDBHSA-N 0 1 354.454 2.218 20 30 FEEDMN CC(=O)Nc1cccc([C@H](C)NCC(=O)NCc2ccc(C#N)cc2)c1 ZINC000271829361 329728974 /nfs/dbraw/zinc/72/89/74/329728974.db2.gz WRHAONRPJJCOIG-AWEZNQCLSA-N 0 1 350.422 2.484 20 30 FEEDMN COc1cc(CN2CCC(C(=O)N3C[C@@H](C)O[C@@H](C)C3)CC2)ccc1C#N ZINC000367031128 330209249 /nfs/dbraw/zinc/20/92/49/330209249.db2.gz SDVNZZIBFZXOIB-IYBDPMFKSA-N 0 1 371.481 2.415 20 30 FEEDMN N#Cc1ccc(NCC(=O)NC[C@H](c2ccco2)N2CCCCC2)nc1 ZINC000498076903 538806747 /nfs/dbraw/zinc/80/67/47/538806747.db2.gz VRTXNBMNDIJHCO-MRXNPFEDSA-N 0 1 353.426 2.302 20 30 FEEDMN C=CCNC(=O)NC(=O)CNC1(c2ccc(Br)cc2)CC1 ZINC000477389798 561143810 /nfs/dbraw/zinc/14/38/10/561143810.db2.gz GZRRJWBNMWUGDU-UHFFFAOYSA-N 0 1 352.232 2.040 20 30 FEEDMN CNC(=O)COc1ccc(NS(=O)(=O)c2cccc(C)c2C#N)c(C)c1 ZINC000478698377 561173042 /nfs/dbraw/zinc/17/30/42/561173042.db2.gz BMBWLGWSZLOEFG-UHFFFAOYSA-N 0 1 373.434 2.101 20 30 FEEDMN Cc1cnn(-c2ccc(S(=O)(=O)Nc3ccc(C#N)cn3)cc2F)c1 ZINC000160909762 546084450 /nfs/dbraw/zinc/08/44/50/546084450.db2.gz SPFRRHSPTDVYTI-UHFFFAOYSA-N 0 1 357.370 2.387 20 30 FEEDMN C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CCCN(C)CC1 ZINC000162091596 546136699 /nfs/dbraw/zinc/13/66/99/546136699.db2.gz AMTBSKSCFYBLIJ-AWEZNQCLSA-N 0 1 360.483 2.041 20 30 FEEDMN C#CCN1CCC(C(=O)N2CCCC[C@H]2CNC(=O)c2ccccc2)CC1 ZINC000173639988 546284773 /nfs/dbraw/zinc/28/47/73/546284773.db2.gz UXUHDVBYTTYIAZ-FQEVSTJZSA-N 0 1 367.493 2.143 20 30 FEEDMN C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCCCc1nc(=O)[nH][nH]1 ZINC000176757281 546484040 /nfs/dbraw/zinc/48/40/40/546484040.db2.gz ZTIOIEODBBBFGC-UHFFFAOYSA-N 0 1 370.331 2.044 20 30 FEEDMN C=CCOc1ccc(C=CC(=O)N[C@H](CCC)c2nn[nH]n2)cc1OC ZINC000176778345 546487159 /nfs/dbraw/zinc/48/71/59/546487159.db2.gz DKMZRXCLGIITDM-QSYFUGGGSA-N 0 1 357.414 2.444 20 30 FEEDMN C[C@H](NCCS(=O)(=O)c1ccc(C#N)cc1)c1ccc2c(c1)OCO2 ZINC000176883951 546499825 /nfs/dbraw/zinc/49/98/25/546499825.db2.gz RISSBVWTNJPMHQ-ZDUSSCGKSA-N 0 1 358.419 2.411 20 30 FEEDMN C[N@H+]1CCC[C@@H]2CN(S(=O)(=O)c3cc(C#N)ccc3Cl)CC[C@@H]21 ZINC000178002986 546721373 /nfs/dbraw/zinc/72/13/73/546721373.db2.gz WLEMFKHXKURYDG-HIFRSBDPSA-N 0 1 353.875 2.316 20 30 FEEDMN Cc1c(C#N)cccc1NC(=O)C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000178407382 546788640 /nfs/dbraw/zinc/78/86/40/546788640.db2.gz SNZAPPKABJBWME-GOSISDBHSA-N 0 1 350.422 2.224 20 30 FEEDMN N#Cc1ncn(CC(=O)Nc2ccc(-c3n[nH]c(-c4ccccc4)n3)cc2)n1 ZINC000178752706 546844576 /nfs/dbraw/zinc/84/45/76/546844576.db2.gz RVETXHBUUUJQEX-UHFFFAOYSA-N 0 1 370.376 2.241 20 30 FEEDMN N#Cc1ncn(CC(=O)Nc2ccc(-c3nc(-c4ccccc4)n[nH]3)cc2)n1 ZINC000178752706 546844580 /nfs/dbraw/zinc/84/45/80/546844580.db2.gz RVETXHBUUUJQEX-UHFFFAOYSA-N 0 1 370.376 2.241 20 30 FEEDMN N#Cc1ccc(CN2CCCN(C(=O)/C=C/c3cncc(O)c3)CC2)cc1 ZINC000179401305 546946235 /nfs/dbraw/zinc/94/62/35/546946235.db2.gz MERAMINDZXANAL-VOTSOKGWSA-N 0 1 362.433 2.407 20 30 FEEDMN N#Cc1ccc(S(=O)(=O)CCN[C@H](CCCO)c2ccccc2)cc1 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XYYHEEWBTRHZFQ-CABCVRRESA-N 0 1 358.442 2.302 20 30 FEEDMN C=CCc1ccccc1OC[C@H](O)CN1C[C@H](C)O[C@@]2(CCCOC2)C1 ZINC000483369674 561275110 /nfs/dbraw/zinc/27/51/10/561275110.db2.gz DWBWIURBXNSWTN-DSKINZAPSA-N 0 1 361.482 2.425 20 30 FEEDMN C#CCOc1ccccc1CNCc1cnc(N2CCOCC2)c(F)c1 ZINC000185077602 547928508 /nfs/dbraw/zinc/92/85/08/547928508.db2.gz JVNISHMKWIBCHF-UHFFFAOYSA-N 0 1 355.413 2.359 20 30 FEEDMN CCOC(=O)CCN(Cc1cccnc1)C[C@H](O)c1ccc(C#N)cc1 ZINC000185243223 547958330 /nfs/dbraw/zinc/95/83/30/547958330.db2.gz OAMIBTZBNRWWKN-IBGZPJMESA-N 0 1 353.422 2.442 20 30 FEEDMN CCN(C[C@@H](C)C#N)C(=O)CN[C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000192126959 548359050 /nfs/dbraw/zinc/35/90/50/548359050.db2.gz NJQFIVQQADGITH-BJOOFOGMSA-N 0 1 351.397 2.393 20 30 FEEDMN C=CCN(CC=C)C(=O)CN[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 ZINC000192156770 548359644 /nfs/dbraw/zinc/35/96/44/548359644.db2.gz UNBBISJWWUNFQT-VQIMIIECSA-N 0 1 361.873 2.402 20 30 FEEDMN CC(C)CN1CCO[C@@H](CNC(=O)CNc2ccc(C#N)cc2Cl)C1 ZINC000486548680 561350366 /nfs/dbraw/zinc/35/03/66/561350366.db2.gz KLQHUKGCBJWPQD-HNNXBMFYSA-N 0 1 364.877 2.097 20 30 FEEDMN C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCC[C@@H](CCC(N)=O)C1 ZINC000245397376 548907211 /nfs/dbraw/zinc/90/72/11/548907211.db2.gz PBPZOYVRZZCCAI-SJORKVTESA-N 0 1 356.470 2.299 20 30 FEEDMN C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCC[C@@H](CCC(N)=O)C1 ZINC000245397376 548907214 /nfs/dbraw/zinc/90/72/14/548907214.db2.gz PBPZOYVRZZCCAI-SJORKVTESA-N 0 1 356.470 2.299 20 30 FEEDMN N#Cc1ccc(CC(=O)N[C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)cc1 ZINC000245570505 548948555 /nfs/dbraw/zinc/94/85/55/548948555.db2.gz ANQPKXGONPBXGC-RTWAWAEBSA-N 0 1 363.461 2.100 20 30 FEEDMN COc1ccc([C@@H](C)N(C)CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)cc1 ZINC000246203350 549077169 /nfs/dbraw/zinc/07/71/69/549077169.db2.gz YAMZDMFNPBOUGR-XLIONFOSSA-N 0 1 372.513 2.380 20 30 FEEDMN CN(C(=O)CN1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1)C1(C#N)CCCCC1 ZINC000246202622 549077244 /nfs/dbraw/zinc/07/72/44/549077244.db2.gz BFSUZXKSZBMKDY-FUHWJXTLSA-N 0 1 372.513 2.147 20 30 FEEDMN CC(=O)N1CC[C@H](CN(C)[C@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000246555142 549161552 /nfs/dbraw/zinc/16/15/52/549161552.db2.gz LMNZPGRKTAQYAH-SJLPKXTDSA-N 0 1 356.470 2.122 20 30 FEEDMN C=C[C@H]1CCCCN1CC(=O)N1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000489444252 561411403 /nfs/dbraw/zinc/41/14/03/561411403.db2.gz WDXSDQIYUXLVNA-FQEVSTJZSA-N 0 1 369.509 2.306 20 30 FEEDMN CN1C(=O)C[C@H](NCC(=O)N[C@](C)(C#N)C2CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000248983159 549535320 /nfs/dbraw/zinc/53/53/20/549535320.db2.gz FXATZRSYAXLBDV-ZYSHUDEJSA-N 0 1 374.872 2.010 20 30 FEEDMN C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000249982120 549635646 /nfs/dbraw/zinc/63/56/46/549635646.db2.gz AXSNUUOWUWEMIM-OLZOCXBDSA-N 0 1 362.861 2.387 20 30 FEEDMN C[C@H](C(=O)N(C)CCC#N)N1CCC(C(=O)Nc2cccc(F)c2)CC1 ZINC000263707696 549923301 /nfs/dbraw/zinc/92/33/01/549923301.db2.gz MORXCGVZHVTJTK-CQSZACIVSA-N 0 1 360.433 2.237 20 30 FEEDMN C=CCOc1ccc(/C=C/C(=O)NC[C@@H](C)N2CCN(C)CC2)cc1OC ZINC000263730610 549927780 /nfs/dbraw/zinc/92/77/80/549927780.db2.gz GZCCGVUYINUXGN-UGAXZCSASA-N 0 1 373.497 2.025 20 30 FEEDMN Cc1cc(C(=O)C(C#N)c2cc(C)nc(C)n2)nn1-c1nc(C)cc(C)n1 ZINC000490724541 561437831 /nfs/dbraw/zinc/43/78/31/561437831.db2.gz XESKSMUKYWLPAM-HNNXBMFYSA-N 0 1 361.409 2.484 20 30 FEEDMN Cc1cc(C(=O)[C@@H](C#N)c2cc(C)nc(C)n2)nn1-c1nc(C)cc(C)n1 ZINC000490724541 561437832 /nfs/dbraw/zinc/43/78/32/561437832.db2.gz XESKSMUKYWLPAM-HNNXBMFYSA-N 0 1 361.409 2.484 20 30 FEEDMN C=CCN(CC=C)C(=O)CN1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000264181518 549988499 /nfs/dbraw/zinc/98/84/99/549988499.db2.gz KNFMGWQMOURQGH-MRXNPFEDSA-N 0 1 351.491 2.376 20 30 FEEDMN Cc1n[nH]c([C@@H]2CCCN([C@@H](C)C(=O)Nc3oc(C)c(C)c3C#N)C2)n1 ZINC000268501950 550077509 /nfs/dbraw/zinc/07/75/09/550077509.db2.gz SHGNNCDWZQTJSR-SMDDNHRTSA-N 0 1 356.430 2.401 20 30 FEEDMN Cc1nnc([C@@H]2CCCN([C@@H](C)C(=O)Nc3oc(C)c(C)c3C#N)C2)[nH]1 ZINC000268501950 550077512 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Cn1c2ccccc2nc1C(C#N)C(=O)c1cn(CC(=O)C(C)(C)C)nn1 ZINC000158299130 545845886 /nfs/dbraw/zinc/84/58/86/545845886.db2.gz IBLTWROITXRKCU-LBPRGKRZSA-N 0 1 364.409 2.270 20 30 FEEDMN Cc1cc(C[C@H](C)NC(=O)CCC(=O)N(CCC#N)c2ccccc2)n[nH]1 ZINC000161950986 546135238 /nfs/dbraw/zinc/13/52/38/546135238.db2.gz YDXDROACRVWPNO-HNNXBMFYSA-N 0 1 367.453 2.492 20 30 FEEDMN Cn1c(=O)c2ccc(C(=O)N[C@@H](C#N)C3CCCCC3)cc2[nH]c1=S ZINC000176628046 546469641 /nfs/dbraw/zinc/46/96/41/546469641.db2.gz NEPGSTGXKRJSLN-HNNXBMFYSA-N 0 1 356.451 2.424 20 30 FEEDMN COc1cc(C#N)ccc1OCC(=O)NCCN(C)Cc1ccc(F)cc1 ZINC000177077934 546541186 /nfs/dbraw/zinc/54/11/86/546541186.db2.gz VFTVAYWNCLAALL-UHFFFAOYSA-N 0 1 371.412 2.333 20 30 FEEDMN C=CCOc1ccccc1CNC(=O)N1CCN(C2CCOCC2)CC1 ZINC000177505811 546632941 /nfs/dbraw/zinc/63/29/41/546632941.db2.gz LYXUTNACCJPCAL-UHFFFAOYSA-N 0 1 359.470 2.258 20 30 FEEDMN N#Cc1ccc(S(=O)(=O)N2CC[C@@H](N3CCCC3)C2)cc1C(F)(F)F ZINC000177655904 546660742 /nfs/dbraw/zinc/66/07/42/546660742.db2.gz 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FEEDMN C=C(C)CS(=O)(=O)NCCCCN1CCN(c2cccc(C)c2)CC1 ZINC000184375511 547815937 /nfs/dbraw/zinc/81/59/37/547815937.db2.gz FUMWDPHJGKMCQF-UHFFFAOYSA-N 0 1 365.543 2.393 20 30 FEEDMN COc1ccc([C@@H](CNC(=O)NCC2(CC#N)CC2)N(C)C)cc1OC ZINC000485375940 561317670 /nfs/dbraw/zinc/31/76/70/561317670.db2.gz JGUCKJCFNKOQBM-OAHLLOKOSA-N 0 1 360.458 2.300 20 30 FEEDMN COc1ccccc1C(=O)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000185638555 548013045 /nfs/dbraw/zinc/01/30/45/548013045.db2.gz BJKLZVVTBWGCIP-UHFFFAOYSA-N 0 1 365.433 2.340 20 30 FEEDMN N#Cc1cc(F)c(C(=O)NCc2n[nH]c(COc3ccccc3)n2)c(F)c1 ZINC000186629811 548162563 /nfs/dbraw/zinc/16/25/63/548162563.db2.gz MSVVNQIQGNCVDU-UHFFFAOYSA-N 0 1 369.331 2.464 20 30 FEEDMN CCN(C[C@@H](C)C#N)C(=O)c1[nH]nc2c1CN(C(=O)OC(C)(C)C)CC2 ZINC000187206323 548253505 /nfs/dbraw/zinc/25/35/05/548253505.db2.gz QXSFBYGJQRWHJD-LBPRGKRZSA-N 0 1 361.446 2.325 20 30 FEEDMN C#CCOc1ccc(CN[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 ZINC000192243273 548361253 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/nfs/dbraw/zinc/53/53/75/597535375.db2.gz FEEFZATUPCIRGL-CQSZACIVSA-N 0 1 358.442 2.437 20 30 FEEDMN N#Cc1cc(Cl)nc(NN=Cc2ccc(S(N)(=O)=O)c(Cl)c2)c1 ZINC000807979753 674436529 /nfs/dbraw/zinc/43/65/29/674436529.db2.gz JQPUVIQXXVUARV-UHFFFAOYSA-N 0 1 370.221 2.353 20 30 FEEDMN C[C@H](N[C@@H](C)c1cccc(C#N)c1)C(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000820414032 599391315 /nfs/dbraw/zinc/39/13/15/599391315.db2.gz WVIRQCHTIZZOOB-STQMWFEESA-N 0 1 361.409 2.416 20 30 FEEDMN CC(C)CCN(CCC#N)CCC(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000820076154 599639864 /nfs/dbraw/zinc/63/98/64/599639864.db2.gz CWXKSRAGIGEWIP-UHFFFAOYSA-N 0 1 355.446 2.457 20 30 FEEDMN CC[C@H](C)[C@H](NC(=O)C[NH+]1CCC(Oc2cccc(C#N)c2)CC1)C(=O)[O-] ZINC000736880093 599794008 /nfs/dbraw/zinc/79/40/08/599794008.db2.gz UKUZABLVFFDINF-LIRRHRJNSA-N 0 1 373.453 2.017 20 30 FEEDMN C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC000736079123 600599838 /nfs/dbraw/zinc/59/98/38/600599838.db2.gz HNBRXVMPXRRCPP-QUCCMNQESA-N 0 1 364.445 2.297 20 30 FEEDMN C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC000736079123 600599841 /nfs/dbraw/zinc/59/98/41/600599841.db2.gz HNBRXVMPXRRCPP-QUCCMNQESA-N 0 1 364.445 2.297 20 30 FEEDMN COCC[N@H+](CCC(=O)[O-])CC(=O)/C=C1\N(C)c2ccccc2C1(C)C ZINC000737795046 600641463 /nfs/dbraw/zinc/64/14/63/600641463.db2.gz WEQYTECQZRBTRR-AQTBWJFISA-N 0 1 360.454 2.290 20 30 FEEDMN COCC[N@@H+](CCC(=O)[O-])CC(=O)/C=C1\N(C)c2ccccc2C1(C)C ZINC000737795046 600641464 /nfs/dbraw/zinc/64/14/64/600641464.db2.gz WEQYTECQZRBTRR-AQTBWJFISA-N 0 1 360.454 2.290 20 30 FEEDMN N#Cc1ccc(NC(=O)C[N@H+]2CCCC[C@H]2[C@H]2CCCN2C(=O)[O-])cc1 ZINC000740317894 601928783 /nfs/dbraw/zinc/92/87/83/601928783.db2.gz TWIVZBPDFOADID-DLBZAZTESA-N 0 1 356.426 2.494 20 30 FEEDMN N#Cc1ccc(NC(=O)C[N@@H+]2CCCC[C@H]2[C@H]2CCCN2C(=O)[O-])cc1 ZINC000740317894 601928786 /nfs/dbraw/zinc/92/87/86/601928786.db2.gz TWIVZBPDFOADID-DLBZAZTESA-N 0 1 356.426 2.494 20 30 FEEDMN C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CC[C@H](CNC(=O)[O-])C1 ZINC000738615773 601943474 /nfs/dbraw/zinc/94/34/74/601943474.db2.gz PFVQNPNSJIVUFW-ZIAGYGMSSA-N 0 1 362.405 2.050 20 30 FEEDMN Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@H](CNC(=O)[O-])C2)cc1C ZINC000740129408 601947903 /nfs/dbraw/zinc/94/79/03/601947903.db2.gz DIAINOGXPVNIPR-INIZCTEOSA-N 0 1 358.442 2.140 20 30 FEEDMN Cc1ccc(N(CCC#N)C(=O)C[N@H+]2CC[C@@H](CNC(=O)[O-])C2)cc1C ZINC000740129408 601947906 /nfs/dbraw/zinc/94/79/06/601947906.db2.gz DIAINOGXPVNIPR-INIZCTEOSA-N 0 1 358.442 2.140 20 30 FEEDMN C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](C(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000739051724 603062387 /nfs/dbraw/zinc/06/23/87/603062387.db2.gz FAXNKTIGYADCTL-YJBOKZPZSA-N 0 1 370.453 2.153 20 30 FEEDMN C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+](C)CCCNC(=O)[O-] ZINC000738636275 603255507 /nfs/dbraw/zinc/25/55/07/603255507.db2.gz CVZNRIFDRAZOLZ-SNVBAGLBSA-N 0 1 350.444 2.025 20 30 FEEDMN C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+](C)CCCNC(=O)[O-] ZINC000738636275 603255510 /nfs/dbraw/zinc/25/55/10/603255510.db2.gz CVZNRIFDRAZOLZ-SNVBAGLBSA-N 0 1 350.444 2.025 20 30 FEEDMN C[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)[C@H]1CCN(C(=O)[O-])C1 ZINC000828274060 603541804 /nfs/dbraw/zinc/54/18/04/603541804.db2.gz REUSVYYYNRZOQQ-ZDUSSCGKSA-N 0 1 350.806 2.224 20 30 FEEDMN Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H]2CNC(=O)[O-])cc1C ZINC000830340719 603545311 /nfs/dbraw/zinc/54/53/11/603545311.db2.gz MHXOZWPFLWZWBQ-KRWDZBQOSA-N 0 1 358.442 2.282 20 30 FEEDMN Cc1ccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@H]2CNC(=O)[O-])cc1C ZINC000830340719 603545314 /nfs/dbraw/zinc/54/53/14/603545314.db2.gz MHXOZWPFLWZWBQ-KRWDZBQOSA-N 0 1 358.442 2.282 20 30 FEEDMN C[C@@H]1CCC[N@@H+](CCC(=O)Nc2sccc2C#N)[C@@H]1CNC(=O)[O-] ZINC000825925185 603715436 /nfs/dbraw/zinc/71/54/36/603715436.db2.gz NLROTYITWUZUTA-DGCLKSJQSA-N 0 1 350.444 2.316 20 30 FEEDMN N#Cc1c(C[NH+]2CCC(OCCCNC(=O)[O-])CC2)cn2ccccc12 ZINC000831109323 604105014 /nfs/dbraw/zinc/10/50/14/604105014.db2.gz FNEMFNWKEQKNEH-UHFFFAOYSA-N 0 1 356.426 2.450 20 30 FEEDMN C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@@H]([C@H](C)NC(=O)[O-])C1 ZINC000825256668 604177340 /nfs/dbraw/zinc/17/73/40/604177340.db2.gz ZGFCKYBWOQBWLH-RRFJBIMHSA-N 0 1 350.463 2.086 20 30 FEEDMN C[C@H](NC(=O)[O-])[C@H]1CCC[N@@H+](CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000825256191 604231284 /nfs/dbraw/zinc/23/12/84/604231284.db2.gz VCCUMHRJLOGMSF-HOTGVXAUSA-N 0 1 358.442 2.301 20 30 FEEDMN C=CCc1cc(OCC)cc(C[N@@H+]2CCO[C@@H]([C@@H](C)NC(=O)[O-])C2)c1O ZINC000823521999 604438645 /nfs/dbraw/zinc/43/86/45/604438645.db2.gz PGMAKZQTMDBJNO-CXAGYDPISA-N 0 1 364.442 2.376 20 30 FEEDMN C=CCc1cc(OCC)cc(C[N@H+]2CCO[C@@H]([C@@H](C)NC(=O)[O-])C2)c1O ZINC000823521999 604438648 /nfs/dbraw/zinc/43/86/48/604438648.db2.gz PGMAKZQTMDBJNO-CXAGYDPISA-N 0 1 364.442 2.376 20 30 FEEDMN C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCSC[C@H]1CC(=O)[O-] ZINC000833402896 604919637 /nfs/dbraw/zinc/91/96/37/604919637.db2.gz ZOFDOCHBDZAQAT-GOEBONIOSA-N 0 1 361.467 2.214 20 30 FEEDMN C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCSC[C@H]1CC(=O)[O-] ZINC000833402896 604919638 /nfs/dbraw/zinc/91/96/38/604919638.db2.gz ZOFDOCHBDZAQAT-GOEBONIOSA-N 0 1 361.467 2.214 20 30 FEEDMN COc1cc(C(C)=NNc2cccc(-c3nn[nH]n3)c2)cc([N+](=O)[O-])c1O ZINC000821708728 606989371 /nfs/dbraw/zinc/98/93/71/606989371.db2.gz XURAWQSBSHQYLO-UHFFFAOYSA-N 0 1 369.341 2.325 20 30 FEEDMN Cc1nc(-c2nn[nH]n2)c(N=NCc2c[nH]nc2-c2ccccc2F)o1 ZINC000826323099 607887131 /nfs/dbraw/zinc/88/71/31/607887131.db2.gz PZVXEDYIPJXRCH-UHFFFAOYSA-N 0 1 353.321 2.138 20 30 FEEDMN N#Cc1c(F)cccc1C(=O)N1CCC[C@@H](CNC(=O)C(F)(F)F)C1 ZINC000810904355 674567627 /nfs/dbraw/zinc/56/76/27/674567627.db2.gz BOBHCIQOULYDNT-JTQLQIEISA-N 0 1 357.307 2.228 20 30 FEEDMN N#Cc1c(F)cccc1C(=O)N1CCC[C@H](CNC(=O)C(F)(F)F)C1 ZINC000810904356 674567664 /nfs/dbraw/zinc/56/76/64/674567664.db2.gz BOBHCIQOULYDNT-SNVBAGLBSA-N 0 1 357.307 2.228 20 30 FEEDMN CCS(=O)(=O)c1ccc([C@@H](C)N[C@H](C)C(=O)NC2(C#N)CCC2)cc1 ZINC000560175161 674570887 /nfs/dbraw/zinc/57/08/87/674570887.db2.gz PGSKBRNVBGZYQW-ZIAGYGMSSA-N 0 1 363.483 2.082 20 30 FEEDMN C#CCOc1ccccc1NS(=O)(=O)CC1(C(=O)OC)CCCC1 ZINC000811698262 674620960 /nfs/dbraw/zinc/62/09/60/674620960.db2.gz QDHFLZHALAFXON-UHFFFAOYSA-N 0 1 351.424 2.174 20 30 FEEDMN C#C[C@H](C)N(C)C(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000812055436 674649508 /nfs/dbraw/zinc/64/95/08/674649508.db2.gz CSUXWYFDOORACN-JTQLQIEISA-N 0 1 362.231 2.397 20 30 FEEDMN C#C[C@H](C)N(C)C(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000812055436 674649511 /nfs/dbraw/zinc/64/95/11/674649511.db2.gz CSUXWYFDOORACN-JTQLQIEISA-N 0 1 362.231 2.397 20 30 FEEDMN C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N(C)Cc1cnc[nH]1 ZINC000563446275 674890293 /nfs/dbraw/zinc/89/02/93/674890293.db2.gz PAZAXQUOEZKLHU-UHFFFAOYSA-N 0 1 352.847 2.298 20 30 FEEDMN CC(=[NH+][N-]c1cnnn1C)c1c[nH]c2ccc(Br)cc2c1=O ZINC000814979375 674891861 /nfs/dbraw/zinc/89/18/61/674891861.db2.gz IRDGPQOVZZTRRZ-UHFFFAOYSA-N 0 1 361.203 2.255 20 30 FEEDMN N#CC(C(=O)C[C@@H]1CCCS(=O)(=O)C1)c1cc(C(F)(F)F)ccn1 ZINC000816093728 675010839 /nfs/dbraw/zinc/01/08/39/675010839.db2.gz XQMKJPOLZMTFJC-JQWIXIFHSA-N 0 1 360.357 2.492 20 30 FEEDMN N#CC(C(=O)CSCc1cc(=O)n2ccsc2n1)c1ccccn1 ZINC000041481822 670146525 /nfs/dbraw/zinc/14/65/25/670146525.db2.gz BOVSYYLSMWKNDR-GFCCVEGCSA-N 0 1 356.432 2.261 20 30 FEEDMN CS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc(C#N)c(F)c2)cc1F ZINC000565455229 675122834 /nfs/dbraw/zinc/12/28/34/675122834.db2.gz UICLPEDDBYEPBX-UHFFFAOYSA-N 0 1 372.374 2.041 20 30 FEEDMN C=C(Br)CNC(=O)NCc1nc(-c2ccc(OC)cc2)n[nH]1 ZINC000111842912 670861972 /nfs/dbraw/zinc/86/19/72/670861972.db2.gz VHDBLLRIYSUUSH-UHFFFAOYSA-N 0 1 366.219 2.188 20 30 FEEDMN C=C(Br)CNC(=O)NCc1n[nH]c(-c2ccc(OC)cc2)n1 ZINC000111842912 670861976 /nfs/dbraw/zinc/86/19/76/670861976.db2.gz VHDBLLRIYSUUSH-UHFFFAOYSA-N 0 1 366.219 2.188 20 30 FEEDMN N#CC1CN(C(=O)CCCCCn2c(=O)c3ccccc3[nH]c2=S)C1 ZINC000817558646 675146839 /nfs/dbraw/zinc/14/68/39/675146839.db2.gz MBNKIQKUJDNCQK-UHFFFAOYSA-N 0 1 356.451 2.228 20 30 FEEDMN CC[C@H](C#N)S(=O)(=O)Nc1ccc(I)cc1F ZINC000571582125 670896334 /nfs/dbraw/zinc/89/63/34/670896334.db2.gz MZJNMZDAUAYJHE-MRVPVSSYSA-N 0 1 368.171 2.474 20 30 FEEDMN CCN(CC)c1n[nH]c(NS(=O)(=O)Cc2cccc(F)c2F)c1C#N ZINC000573844606 671172210 /nfs/dbraw/zinc/17/22/10/671172210.db2.gz FLCNVAMVIWGELZ-UHFFFAOYSA-N 0 1 369.397 2.348 20 30 FEEDMN Cc1noc(-c2ccc(C)c(NS(=O)(=O)c3cncc(C#N)c3)c2)n1 ZINC000577449104 671596382 /nfs/dbraw/zinc/59/63/82/671596382.db2.gz NEZGGTSDUMXLQR-UHFFFAOYSA-N 0 1 355.379 2.421 20 30 FEEDMN COC(=O)[C@@H](NS(=O)(=O)c1ccc(C#N)c(Cl)c1)c1cccs1 ZINC000609542221 675925478 /nfs/dbraw/zinc/92/54/78/675925478.db2.gz YOCQHZPPPPHZRJ-ZDUSSCGKSA-N 0 1 370.839 2.466 20 30 FEEDMN COc1ccc(OCCCS(=O)(=O)Nc2ccn(CCC#N)n2)cc1 ZINC000609793859 675936460 /nfs/dbraw/zinc/93/64/60/675936460.db2.gz YJIUTZXOCYKYGH-UHFFFAOYSA-N 0 1 364.427 2.016 20 30 FEEDMN C=CCN(CC=C)C(=O)[C@@H](C)N[C@@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000119028079 671890961 /nfs/dbraw/zinc/89/09/61/671890961.db2.gz KEJMVWKINAFONQ-LSDHHAIUSA-N 0 1 365.499 2.298 20 30 FEEDMN N#Cc1ccc(S(=O)(=O)N[C@H]2CCN(CC3CC3)C2)cc1C(F)(F)F ZINC000610583893 675982906 /nfs/dbraw/zinc/98/29/06/675982906.db2.gz UVDMHMRARRRLEZ-ZDUSSCGKSA-N 0 1 373.400 2.340 20 30 FEEDMN N#Cc1ccsc1NC(=O)CCN1CCOC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000585800959 672236164 /nfs/dbraw/zinc/23/61/64/672236164.db2.gz YVWRZYPUNXVWLQ-OAGGEKHMSA-N 0 1 363.483 2.200 20 30 FEEDMN C[C@@H](OC[C@@H](O)CN1CCN(CCC#N)CC1)c1ccc(Cl)cc1 ZINC000611174982 676022689 /nfs/dbraw/zinc/02/26/89/676022689.db2.gz QGPKNCQEEHKYLZ-QAPCUYQASA-N 0 1 351.878 2.310 20 30 FEEDMN CNC(=S)NN=Cc1ccc(Cl)c(I)c1O ZINC000788698213 682551715 /nfs/dbraw/zinc/55/17/15/682551715.db2.gz UMRSHNUZQPDDBJ-UHFFFAOYSA-N 0 1 369.615 2.078 20 30 FEEDMN N#Cc1ccc(S(=O)(=O)CCN[C@@H]2CCc3cc(C#N)ccc32)cc1 ZINC000591764319 672708899 /nfs/dbraw/zinc/70/88/99/672708899.db2.gz FOKQGWIDOLKLFZ-LJQANCHMSA-N 0 1 351.431 2.481 20 30 FEEDMN 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SPJLYTHQYCPPRU-MRXNPFEDSA-N 0 1 361.486 2.238 20 30 FEEDMN Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N(C)CC2(O)CCOCC2)c1 ZINC000189780602 548310805 /nfs/dbraw/zinc/31/08/05/548310805.db2.gz RJNZEESCVBCODM-GOSISDBHSA-N 0 1 373.497 2.412 20 30 FEEDMN CCO[C@@H]1C[C@@](CO)(NCC(=O)N(CCC#N)c2ccccc2)C1(C)C ZINC000189994754 548315585 /nfs/dbraw/zinc/31/55/85/548315585.db2.gz VBAQEWOGKASLNA-XLIONFOSSA-N 0 1 359.470 2.089 20 30 FEEDMN CC(C)[C@@](C)(C#N)NC(=O)CN[C@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000192128952 548360006 /nfs/dbraw/zinc/36/00/06/548360006.db2.gz UGXIEDLVFOHMRA-CGTJXYLNSA-N 0 1 351.397 2.439 20 30 FEEDMN N#C[C@H](NC(=O)Cn1c(=O)c2ccccc2[nH]c1=S)C1CCCCC1 ZINC000194827293 548538031 /nfs/dbraw/zinc/53/80/31/548538031.db2.gz SEWGUKKXBPBNNX-HNNXBMFYSA-N 0 1 356.451 2.274 20 30 FEEDMN CCC[C@@H]1CN([C@H](C)C(=O)Nc2cccc(C#N)c2)CC[N@H+]1CCOC ZINC000245863652 549006192 /nfs/dbraw/zinc/00/61/92/549006192.db2.gz FSHDDDZMXDINPI-VQIMIIECSA-N 0 1 358.486 2.318 20 30 FEEDMN CCC[C@@H]1CN([C@H](C)C(=O)Nc2cccc(C#N)c2)CCN1CCOC ZINC000245863652 549006195 /nfs/dbraw/zinc/00/61/95/549006195.db2.gz FSHDDDZMXDINPI-VQIMIIECSA-N 0 1 358.486 2.318 20 30 FEEDMN N#Cc1ccc(NC(=O)CCN2CCO[C@@H]([C@H]3CCCO3)C2)cc1Cl ZINC000246786819 549211783 /nfs/dbraw/zinc/21/17/83/549211783.db2.gz CPSROHDCZKFKLR-IAGOWNOFSA-N 0 1 363.845 2.420 20 30 FEEDMN C=CC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)CC1 ZINC000246814262 549219971 /nfs/dbraw/zinc/21/99/71/549219971.db2.gz BQHRZZPTDXAIGO-YLJYHZDGSA-N 0 1 371.529 2.242 20 30 FEEDMN CN(C)[C@H](CNS(=O)(=O)c1ccc(F)c(C#N)c1)Cc1ccccc1 ZINC000488965730 561400621 /nfs/dbraw/zinc/40/06/21/561400621.db2.gz AEPGGTJWYWKVFO-INIZCTEOSA-N 0 1 361.442 2.149 20 30 FEEDMN CNC(=O)[C@@H]1CCCN([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000247595682 549365038 /nfs/dbraw/zinc/36/50/38/549365038.db2.gz OFPYSFZMIWSOCN-QZTJIDSGSA-N 0 1 370.497 2.397 20 30 FEEDMN C=CC[C@H](CO)NC(=O)N[C@@H]1CCN(C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000248605462 549466803 /nfs/dbraw/zinc/46/68/03/549466803.db2.gz WBZQTVLMIWNLRC-ATZDWAIDSA-N 0 1 359.470 2.209 20 30 FEEDMN CN1C(=O)C[C@H](NCC(=O)N[C@@](C)(C#N)C2CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000248983154 549536085 /nfs/dbraw/zinc/53/60/85/549536085.db2.gz FXATZRSYAXLBDV-SNRMKQJTSA-N 0 1 374.872 2.010 20 30 FEEDMN C[C@H]1CCN(CCC(=O)Nc2sc3c(c2C#N)CCC3)[C@@H](C(N)=O)C1 ZINC000249527858 549600834 /nfs/dbraw/zinc/60/08/34/549600834.db2.gz AILITEJTJFVCRL-SMDDNHRTSA-N 0 1 360.483 2.023 20 30 FEEDMN CC(C)[C@H](NS(=O)(=O)c1c(F)cc(C#N)cc1F)C1(CO)CCC1 ZINC000490088099 561426279 /nfs/dbraw/zinc/42/62/79/561426279.db2.gz LBFQRVWNVOWXFE-HNNXBMFYSA-N 0 1 358.410 2.302 20 30 FEEDMN C[C@@H](C#N)CN(C)C(=O)N[C@H](C)c1cc(F)ccc1N1CCN(C)CC1 ZINC000263647845 549912498 /nfs/dbraw/zinc/91/24/98/549912498.db2.gz CDLSQNNRDYMTMV-LSDHHAIUSA-N 0 1 361.465 2.440 20 30 FEEDMN C=CCOc1c(Br)cc(CN[C@@H]2CC(=O)N(C)C2)cc1OC ZINC000263786832 549936817 /nfs/dbraw/zinc/93/68/17/549936817.db2.gz WTTVWDSSEXRGGH-GFCCVEGCSA-N 0 1 369.259 2.343 20 30 FEEDMN N#CC1(C(=O)N2CCC(c3nnc(-c4ccccc4)[nH]3)CC2)CCOCC1 ZINC000264521656 549997425 /nfs/dbraw/zinc/99/74/25/549997425.db2.gz GCQDKRIRWFWSOM-UHFFFAOYSA-N 0 1 365.437 2.498 20 30 FEEDMN C#CCN1CCC(C(=O)N(C)[C@H]2CCN(c3ccccc3Cl)C2=O)CC1 ZINC000264795843 550001721 /nfs/dbraw/zinc/00/17/21/550001721.db2.gz YHIRHQFLELIRKI-SFHVURJKSA-N 0 1 373.884 2.249 20 30 FEEDMN COC(=O)[C@@H](C)CN(C)[C@H](C)C(=O)N(CCC#N)c1ccccc1OC ZINC000264973046 550004431 /nfs/dbraw/zinc/00/44/31/550004431.db2.gz GLZHZBNWBNROCR-LSDHHAIUSA-N 0 1 361.442 2.071 20 30 FEEDMN C[C@@H](CO)CCCNC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000270532393 550281172 /nfs/dbraw/zinc/28/11/72/550281172.db2.gz ONNYFIMNGBKCML-QGZVFWFLSA-N 0 1 358.486 2.184 20 30 FEEDMN CCc1nc([C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)n[nH]1 ZINC000270597455 550287633 /nfs/dbraw/zinc/28/76/33/550287633.db2.gz UXKCOPRPESIOGJ-MRVPVSSYSA-N 0 1 373.360 2.297 20 30 FEEDMN CN1CCN(C(=O)CCC(=O)N(CCC#N)c2ccccc2)C(C)(C)C1 ZINC000270882247 550317247 /nfs/dbraw/zinc/31/72/47/550317247.db2.gz FOKZJQVKYRUQIR-UHFFFAOYSA-N 0 1 356.470 2.266 20 30 FEEDMN C=C(C)CN(CC)C(=O)CN[C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000494245361 561465583 /nfs/dbraw/zinc/46/55/83/561465583.db2.gz QKPDRBCLUJVGGX-QFBILLFUSA-N 0 1 365.424 2.251 20 30 FEEDMN C#CCCN1CCN(C[C@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000271997957 550415413 /nfs/dbraw/zinc/41/54/13/550415413.db2.gz GNXJFBSBLYWPCK-HNNXBMFYSA-N 0 1 357.281 2.374 20 30 FEEDMN CN(CCC#N)C(=O)CCN1CCc2c(ncn2-c2ccc(F)cc2)C1 ZINC000272722834 550466715 /nfs/dbraw/zinc/46/67/15/550466715.db2.gz JJGMMUPIIOSBFN-UHFFFAOYSA-N 0 1 355.417 2.132 20 30 FEEDMN N#C[C@@H](c1ccccc1)N1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000274299786 550531490 /nfs/dbraw/zinc/53/14/90/550531490.db2.gz PZWDHEWOOUNKTD-SFHVURJKSA-N 0 1 366.377 2.323 20 30 FEEDMN CCN(C[C@H](C)C#N)C(=O)CN[C@@H](Cc1nc(C)no1)c1ccccc1 ZINC000277152397 550637634 /nfs/dbraw/zinc/63/76/34/550637634.db2.gz JQVPEIOPFRDSJJ-PBHICJAKSA-N 0 1 355.442 2.260 20 30 FEEDMN Cc1noc(C[C@@H](NCC(=O)N[C@@](C)(C#N)C(C)C)c2ccccc2)n1 ZINC000277315806 550655381 /nfs/dbraw/zinc/65/53/81/550655381.db2.gz UWKWBYSNSQIZQQ-APWZRJJASA-N 0 1 355.442 2.306 20 30 FEEDMN Cc1noc(C[C@@H](NCC(=O)N[C@](C)(C#N)C(C)C)c2ccccc2)n1 ZINC000277315825 550655615 /nfs/dbraw/zinc/65/56/15/550655615.db2.gz UWKWBYSNSQIZQQ-VQIMIIECSA-N 0 1 355.442 2.306 20 30 FEEDMN CC(C)N(CC(=O)N[C@@](C)(C#N)C(C)C)C[C@H](O)COc1ccccc1 ZINC000277843147 550720544 /nfs/dbraw/zinc/72/05/44/550720544.db2.gz SDBLRDRTJWLZGT-PXNSSMCTSA-N 0 1 361.486 2.191 20 30 FEEDMN C#CCN1CCC(c2nc(-c3cccc(N4CCNC4=O)c3)no2)CC1 ZINC000277960716 550733180 /nfs/dbraw/zinc/73/31/80/550733180.db2.gz SNEQDGAPUMFXNB-UHFFFAOYSA-N 0 1 351.410 2.079 20 30 FEEDMN COC[C@@H](NCC(=O)N(CCC#N)c1ccc(C)c(C)c1)[C@H]1CCCO1 ZINC000278997073 550844817 /nfs/dbraw/zinc/84/48/17/550844817.db2.gz CFJSNVRCLGQYQN-RTBURBONSA-N 0 1 359.470 2.334 20 30 FEEDMN CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000279437558 550890141 /nfs/dbraw/zinc/89/01/41/550890141.db2.gz OSBADGUZPMYPRO-INIZCTEOSA-N 0 1 371.485 2.186 20 30 FEEDMN Cc1nc(C#N)c(N2CCC(C(=O)N[C@H](C)c3n[nH]c(C(C)C)n3)CC2)o1 ZINC000281102037 551063571 /nfs/dbraw/zinc/06/35/71/551063571.db2.gz GTYYUBCCISFWCZ-LLVKDONJSA-N 0 1 371.445 2.190 20 30 FEEDMN C=CCN1CC[C@H](N(C)C[C@H](O)CO[C@@H](C)c2ccc(Cl)cc2)C1=O ZINC000281197541 551073071 /nfs/dbraw/zinc/07/30/71/551073071.db2.gz CDIQMEVWKUJMNT-WBAXXEDZSA-N 0 1 366.889 2.497 20 30 FEEDMN CN1CC[C@H]2CCN(S(=O)(=O)c3ccc(C(F)(F)F)c(C#N)c3)[C@@H]2C1 ZINC000282349330 551215204 /nfs/dbraw/zinc/21/52/04/551215204.db2.gz PEULDMKIRVZPTR-XHDPSFHLSA-N 0 1 373.400 2.292 20 30 FEEDMN C[C@@H](NC(=O)C(=O)NC[C@H](c1ccccc1)N(C)C)c1ccc(C#N)cc1 ZINC000283136235 551317278 /nfs/dbraw/zinc/31/72/78/551317278.db2.gz BJZDDWCFCZCLMT-DNVCBOLYSA-N 0 1 364.449 2.155 20 30 FEEDMN N#C[C@@H](NC(=O)[C@H]1CCc2[nH]nnc2C1)c1cccc(Br)c1 ZINC000283246508 551335682 /nfs/dbraw/zinc/33/56/82/551335682.db2.gz CKJOXIDCNVKWMQ-IINYFYTJSA-N 0 1 360.215 2.053 20 30 FEEDMN N#C[C@@H](NC(=O)[C@H]1CCc2nn[nH]c2C1)c1cccc(Br)c1 ZINC000283246508 551335683 /nfs/dbraw/zinc/33/56/83/551335683.db2.gz CKJOXIDCNVKWMQ-IINYFYTJSA-N 0 1 360.215 2.053 20 30 FEEDMN CC#CC(=O)Nc1ccc(-c2n[nH]c(CNC(=O)OC(C)(C)C)n2)cc1 ZINC000283265120 551338720 /nfs/dbraw/zinc/33/87/20/551338720.db2.gz RGSMVTAZAIGVBW-UHFFFAOYSA-N 0 1 355.398 2.458 20 30 FEEDMN CC#CC(=O)Nc1ccc(-c2nc(CNC(=O)OC(C)(C)C)n[nH]2)cc1 ZINC000283265120 551338721 /nfs/dbraw/zinc/33/87/21/551338721.db2.gz RGSMVTAZAIGVBW-UHFFFAOYSA-N 0 1 355.398 2.458 20 30 FEEDMN COc1cc(C#N)ccc1OCC(=O)N1CCC[C@H](c2cc(C)[nH]n2)C1 ZINC000283706678 551413324 /nfs/dbraw/zinc/41/33/24/551413324.db2.gz YWJRSANVDJGZTQ-HNNXBMFYSA-N 0 1 354.410 2.383 20 30 FEEDMN Cc1nc2c(cccc2C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)[nH]1 ZINC000284298697 551517572 /nfs/dbraw/zinc/51/75/72/551517572.db2.gz GOHBJZAMLBNMHU-CYBMUJFWSA-N 0 1 369.425 2.456 20 30 FEEDMN CN(CCCN(C)S(=O)(=O)c1ccc(F)cc1C#N)Cc1ccco1 ZINC000285484940 551763771 /nfs/dbraw/zinc/76/37/71/551763771.db2.gz OZFHXVZNGRWPIA-UHFFFAOYSA-N 0 1 365.430 2.433 20 30 FEEDMN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000498913563 561537705 /nfs/dbraw/zinc/53/77/05/561537705.db2.gz AFRBAQNFTICGJY-MUKKUYKPSA-N 0 1 358.490 2.304 20 30 FEEDMN CC(C)(C(=O)N1CC[C@@H](CN2CCOCC2)C1)c1cc(F)cc(C#N)c1 ZINC000285551667 551773875 /nfs/dbraw/zinc/77/38/75/551773875.db2.gz GQRQMLHELZQQGZ-HNNXBMFYSA-N 0 1 359.445 2.156 20 30 FEEDMN C[C@H]1[C@H](N2CCCC2)CCN1S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000286687692 551914787 /nfs/dbraw/zinc/91/47/87/551914787.db2.gz LPGQPLNZJXANJM-XHDPSFHLSA-N 0 1 355.410 2.084 20 30 FEEDMN N#Cc1nc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)[n-]c1C#N ZINC000287686987 552034466 /nfs/dbraw/zinc/03/44/66/552034466.db2.gz SYKSHQMIVOIINA-ZDUSSCGKSA-N 0 1 370.363 2.249 20 30 FEEDMN C#CCN1CCC(C(=O)N2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)CC1 ZINC000287700482 552035943 /nfs/dbraw/zinc/03/59/43/552035943.db2.gz DZGQXKGOBBCEPO-QHAWAJNXSA-N 0 1 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CCOCCCNC(=O)C(C#N)C(=O)COc1cc(C)ccc1Cl ZINC000916868941 685528271 /nfs/dbraw/zinc/52/82/71/685528271.db2.gz XOOLHXACRPKCBU-CYBMUJFWSA-N 0 1 352.818 2.279 20 30 FEEDMN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCC2(COC(=O)N2)CC1 ZINC000784458663 682228511 /nfs/dbraw/zinc/22/85/11/682228511.db2.gz DIRJTJOMIMHQRF-AWEZNQCLSA-N 0 1 363.483 2.226 20 30 FEEDMN C[C@@H](NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1)C1CN(Cc2ccc(C#N)s2)C1 ZINC000969884548 682280912 /nfs/dbraw/zinc/28/09/12/682280912.db2.gz QOIUTZXWLOPRMZ-HFBAOOFYSA-N 0 1 355.467 2.083 20 30 FEEDMN N#Cc1ncc(Br)cc1N1CCC[C@@H](N2CCOCC2)CC1 ZINC000853720468 682460679 /nfs/dbraw/zinc/46/06/79/682460679.db2.gz ZGVILTZTHGBZAK-CQSZACIVSA-N 0 1 365.275 2.407 20 30 FEEDMN COC(=O)CCN1CCC(=NNC(=S)N[C@@H]2CCCC[C@@H]2C)CC1 ZINC000788701222 682551817 /nfs/dbraw/zinc/55/18/17/682551817.db2.gz YNZPCVDVNRLDHB-DZGCQCFKSA-N 0 1 354.520 2.044 20 30 FEEDMN CN1CCC(C#N)(NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC1 ZINC000790542730 682684681 /nfs/dbraw/zinc/68/46/81/682684681.db2.gz OGFRCPYYNVDODH-UHFFFAOYSA-N 0 1 354.769 2.034 20 30 FEEDMN C#CCCN(CCOC)C(=O)CSc1nc(-c2ccc(C)cc2)n[nH]1 ZINC000856389295 682774324 /nfs/dbraw/zinc/77/43/24/682774324.db2.gz LAPXGOUYTOEPCO-UHFFFAOYSA-N 0 1 358.467 2.371 20 30 FEEDMN C#CCCS(=O)(=O)NCC(F)(F)c1ccc(Br)cc1 ZINC000856747889 682803924 /nfs/dbraw/zinc/80/39/24/682803924.db2.gz PTFOIXFJDWAZIP-UHFFFAOYSA-N 0 1 352.200 2.484 20 30 FEEDMN CN(C)S(=O)(=O)c1ccccc1NN=Cc1cccc2c1OCCO2 ZINC000793183258 682870154 /nfs/dbraw/zinc/87/01/54/682870154.db2.gz VDBZSOSFCNTWBB-UHFFFAOYSA-N 0 1 361.423 2.154 20 30 FEEDMN C#CCN1CCC(NC(=O)c2cccn3cc(C(F)(F)F)nc23)CC1 ZINC000928648664 683480648 /nfs/dbraw/zinc/48/06/48/683480648.db2.gz POIMGSYVYAIHJW-UHFFFAOYSA-N 0 1 350.344 2.181 20 30 FEEDMN C#CCN(C1CCN(C)CC1)S(=O)(=O)c1cc(C)cc2cccnc21 ZINC000922024201 683639745 /nfs/dbraw/zinc/63/97/45/683639745.db2.gz NGSDNVGHIPLIDY-UHFFFAOYSA-N 0 1 357.479 2.261 20 30 FEEDMN CCCNC(=O)c1ccc(NC(=O)NCC#CCN(C)C)cc1Cl ZINC000929912507 683655066 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NC(=NOC1CC(CF)(CF)C1)c1ccc(N2CCC(O)CC2)cc1 ZINC000871734724 684849900 /nfs/dbraw/zinc/84/99/00/684849900.db2.gz ILCRNYXMTCEVTF-UHFFFAOYSA-N 0 1 353.413 2.372 20 30 FEEDMN CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCC[C@@H](c2cc(C(C)C)n[nH]2)C1 ZINC000872525453 684972056 /nfs/dbraw/zinc/97/20/56/684972056.db2.gz NBGXPMOZWDJKKN-LSDHHAIUSA-N 0 1 367.519 2.439 20 30 FEEDMN CN1CCC[C@H]2[C@@H]1CCN2S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000872664418 685000801 /nfs/dbraw/zinc/00/08/01/685000801.db2.gz ROUCPEAGACJGDU-GJZGRUSLSA-N 0 1 373.400 2.434 20 30 FEEDMN C=CCc1cc(OCC)cc(CN2CC[C@H]3CS(=O)(=O)C[C@@H]3C2)c1O ZINC000872793705 685016511 /nfs/dbraw/zinc/01/65/11/685016511.db2.gz CKRVTWOOHZPHSY-RDJZCZTQSA-N 0 1 365.495 2.386 20 30 FEEDMN CON=CC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(Br)cc1 ZINC000911253580 685188427 /nfs/dbraw/zinc/18/84/27/685188427.db2.gz DREOACIVLXKRFE-OAHLLOKOSA-N 0 1 363.215 2.279 20 30 FEEDMN N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCC[C@@H](CF)C2)CC1 ZINC000880237358 687021247 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ZINC000902650318 690793151 /nfs/dbraw/zinc/79/31/51/690793151.db2.gz NDQMWSPQMRYAPY-UHFFFAOYSA-N 0 1 358.349 2.205 20 30 FEEDMN C#CCN1CCC(NC(=O)Nc2nc(CN3CCCCC3)cs2)CC1 ZINC000902938363 690822477 /nfs/dbraw/zinc/82/24/77/690822477.db2.gz BNYDFOMTQQNMJS-UHFFFAOYSA-N 0 1 361.515 2.348 20 30 FEEDMN Cn1nc(NS(=O)(=O)Cc2ccc(CC#N)cc2)cc1C(F)(F)F ZINC000903660136 690952260 /nfs/dbraw/zinc/95/22/60/690952260.db2.gz LTCBGJBNXBOXQK-UHFFFAOYSA-N 0 1 358.345 2.447 20 30 FEEDMN N#Cc1ccc(S(=O)(=O)CCNC[C@H]2CC[C@H](C(F)(F)F)O2)cc1 ZINC000905517783 691130718 /nfs/dbraw/zinc/13/07/18/691130718.db2.gz VVRLDNOGGNLDMO-TZMCWYRMSA-N 0 1 362.373 2.031 20 30 FEEDMN CC(C)(C)[S@@](C)(=O)=NS(=O)(=O)Nc1cc(F)c(C#N)cc1F ZINC000906075162 691228330 /nfs/dbraw/zinc/22/83/30/691228330.db2.gz ORCAHQZNNKBVIZ-OAQYLSRUSA-N 0 1 351.400 2.389 20 30 FEEDMN C=CCN(CC(=O)[O-])C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000908893681 691748431 /nfs/dbraw/zinc/74/84/31/691748431.db2.gz RPHYWKHFYSBHRE-CQSZACIVSA-N 0 1 351.472 2.242 20 30 FEEDMN N#Cc1ccc([N+](=O)[O-])c(N2CC[C@H]3[C@@H]2CCN3Cc2cccnc2)n1 ZINC001164725989 720380961 /nfs/dbraw/zinc/38/09/61/720380961.db2.gz OIQILEPZNHGSLZ-HOTGVXAUSA-N 0 1 350.382 2.110 20 30 FEEDMN N#Cc1cc2nc(N3CCc4ncc(CN5CCCC5)n4CC3)ccc2[nH]1 ZINC001164736504 720578502 /nfs/dbraw/zinc/57/85/02/720578502.db2.gz MIVXNYLVIZJXDW-UHFFFAOYSA-N 0 1 361.453 2.290 20 30 FEEDMN N#Cc1cnn(-c2ccc(C(=O)Nc3ccn(-c4ccncc4)n3)cc2)c1N ZINC000505833233 887749470 /nfs/dbraw/zinc/74/94/70/887749470.db2.gz PASARDWZIMSCOO-UHFFFAOYSA-N 0 1 370.376 2.159 20 30 FEEDMN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N1CCN(CCc2ccccc2)CC1 ZINC000022747553 539698137 /nfs/dbraw/zinc/69/81/37/539698137.db2.gz ITJZECVRQPFHKX-RXVVDRJESA-N 0 1 356.514 2.290 20 30 FEEDMN Cc1cccc(N2CCN(C[C@@H](O)COc3ccc(C#N)cc3)CC2)c1 ZINC000027386110 539806317 /nfs/dbraw/zinc/80/63/17/539806317.db2.gz FCIBJRHSISUVGN-HXUWFJFHSA-N 0 1 351.450 2.429 20 30 FEEDMN CC(C)CN1CCO[C@@H](CNC(=O)COc2ccc(C#N)cc2Cl)C1 ZINC000028141955 539827001 /nfs/dbraw/zinc/82/70/01/539827001.db2.gz HLGBBQJMIVMMSK-HNNXBMFYSA-N 0 1 365.861 2.063 20 30 FEEDMN C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(N2CCN(C)CC2)nc1 ZINC000029785958 539864478 /nfs/dbraw/zinc/86/44/78/539864478.db2.gz LTPMNCAMZJGLRR-HNNXBMFYSA-N 0 1 365.437 2.111 20 30 FEEDMN Cn1cc(-c2ccc(CN=Nc3ccccc3S(N)(=O)=O)s2)cn1 ZINC000800817246 674078371 /nfs/dbraw/zinc/07/83/71/674078371.db2.gz JPCKVGFAWBWGQB-UHFFFAOYSA-N 0 1 361.452 2.242 20 30 FEEDMN COc1cc(C(=O)[C@H](C#N)c2nc3ccccc3o2)ccc1OCC(N)=O ZINC000041543531 540024669 /nfs/dbraw/zinc/02/46/69/540024669.db2.gz DJWFGFKPDMDRDP-LBPRGKRZSA-N 0 1 365.345 2.191 20 30 FEEDMN COc1cc(C(=O)C(C#N)c2nc3ccccc3o2)ccc1OCC(N)=O ZINC000041543531 540024671 /nfs/dbraw/zinc/02/46/71/540024671.db2.gz DJWFGFKPDMDRDP-LBPRGKRZSA-N 0 1 365.345 2.191 20 30 FEEDMN N#Cc1ccc(CN2CCCN(C(=O)CCOC[C@@H]3CCCO3)CC2)cc1 ZINC000076273801 542253578 /nfs/dbraw/zinc/25/35/78/542253578.db2.gz KJQVAYKHCNTGDE-FQEVSTJZSA-N 0 1 371.481 2.178 20 30 FEEDMN CN1CCN(c2ccc(CNc3ccc([N+](=O)[O-])cc3C#N)cn2)CC1 ZINC000045776481 540227345 /nfs/dbraw/zinc/22/73/45/540227345.db2.gz KPHWLSSBHDUQIP-UHFFFAOYSA-N 0 1 352.398 2.225 20 30 FEEDMN C[C@@H](Cn1cccn1)NC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000046465560 540258657 /nfs/dbraw/zinc/25/86/57/540258657.db2.gz PQNZOFRKRPAUFY-KRWDZBQOSA-N 0 1 366.469 2.061 20 30 FEEDMN C=CCNC(=O)c1ccc(NC(=O)NCCCN2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000048159963 540348297 /nfs/dbraw/zinc/34/82/97/540348297.db2.gz VNOZRYXUOMYPMI-HOTGVXAUSA-N 0 1 374.485 2.223 20 30 FEEDMN CCN(C[C@H](C)C#N)C(=O)CN(C)[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000051855481 540446589 /nfs/dbraw/zinc/44/65/89/540446589.db2.gz WNPDSMMTTAQWGZ-CVEARBPZSA-N 0 1 354.458 2.268 20 30 FEEDMN CCN(CCC#N)C(=O)CN1CCC(C(=O)Nc2ccccc2OC)CC1 ZINC000052641837 540480052 /nfs/dbraw/zinc/48/00/52/540480052.db2.gz UZCKNVLEZFQTOB-UHFFFAOYSA-N 0 1 372.469 2.108 20 30 FEEDMN C=CCN(CC=C)C(=O)[C@H](C)N1CCC(C(=O)Nc2ccccn2)CC1 ZINC000052828999 540491600 /nfs/dbraw/zinc/49/16/00/540491600.db2.gz NNODFKUXWOIPCL-INIZCTEOSA-N 0 1 356.470 2.321 20 30 FEEDMN C#CCN1CCC(C(=O)Nc2nc3cc4c(cc3s2)OCCO4)CC1 ZINC000057152987 540773549 /nfs/dbraw/zinc/77/35/49/540773549.db2.gz SQLQWMAJDWNPPJ-UHFFFAOYSA-N 0 1 357.435 2.351 20 30 FEEDMN C=CCN(C(=O)c1cc(-c2ccc(F)cc2)[nH]n1)[C@@H]1CCS(=O)(=O)C1 ZINC000057238686 540781359 /nfs/dbraw/zinc/78/13/59/540781359.db2.gz RIXWXRYIDHTLGX-CQSZACIVSA-N 0 1 363.414 2.031 20 30 FEEDMN CN(C)CCN(Cc1cccc(C#N)c1)S(=O)(=O)c1ccc(F)cc1 ZINC000065975222 541276154 /nfs/dbraw/zinc/27/61/54/541276154.db2.gz IRFOYSFDNIYJMB-UHFFFAOYSA-N 0 1 361.442 2.450 20 30 FEEDMN Cc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H](c1cccc(F)c1)N(C)C ZINC000069121748 541659964 /nfs/dbraw/zinc/65/99/64/541659964.db2.gz YEMFVGHEOWAQAD-SFHVURJKSA-N 0 1 368.412 2.363 20 30 FEEDMN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCC2(CNC(=O)C2)CC1 ZINC000072696927 541853761 /nfs/dbraw/zinc/85/37/61/541853761.db2.gz MIEBLUHDRHLKFN-HNNXBMFYSA-N 0 1 361.511 2.253 20 30 FEEDMN 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COC(=O)[C@]1(C(F)(F)F)CCN(CCOc2ccc(C#N)cc2OC)C1 ZINC000286503686 551893569 /nfs/dbraw/zinc/89/35/69/551893569.db2.gz MLRLMXVNAXUXSV-INIZCTEOSA-N 0 1 372.343 2.373 20 30 FEEDMN C[C@H]1CN(c2nccnc2C#N)CCN1C[C@H](O)Cc1cccc(Cl)c1 ZINC000287812640 552049822 /nfs/dbraw/zinc/04/98/22/552049822.db2.gz PHFKCAIBBXRNAB-WMLDXEAASA-N 0 1 371.872 2.116 20 30 FEEDMN CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000288924337 552237073 /nfs/dbraw/zinc/23/70/73/552237073.db2.gz MAUQBSOOOLNKEG-YJBOKZPZSA-N 0 1 368.481 2.037 20 30 FEEDMN Cc1onc(CC(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)c1C#N ZINC000500057451 561564955 /nfs/dbraw/zinc/56/49/55/561564955.db2.gz UZPBOPQWJCCPTQ-UHFFFAOYSA-N 0 1 363.421 2.072 20 30 FEEDMN CN1CCN(c2ccc(CNC(=O)Nc3ccc(C#N)c(F)c3)cn2)CC1 ZINC000290129717 552431761 /nfs/dbraw/zinc/43/17/61/552431761.db2.gz JWYBVMVKKNBKNW-UHFFFAOYSA-N 0 1 368.416 2.166 20 30 FEEDMN COc1cc(C[N@H+]2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)ccc1C#N ZINC000291519799 552633448 /nfs/dbraw/zinc/63/34/48/552633448.db2.gz JADGUWSDJJUIFY-ZDUSSCGKSA-N 0 1 355.360 2.457 20 30 FEEDMN N#Cc1ccc(O[C@H]2CCN(C[C@H](O)COc3ccccc3Cl)C2)nc1 ZINC000292125454 552696407 /nfs/dbraw/zinc/69/64/07/552696407.db2.gz IHMCITCIWRHFGF-HOTGVXAUSA-N 0 1 373.840 2.500 20 30 FEEDMN Cc1ccccc1OC[C@H](O)CN1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292280556 552711659 /nfs/dbraw/zinc/71/16/59/552711659.db2.gz SUIYFUKADLFOQV-MSOLQXFVSA-N 0 1 353.422 2.155 20 30 FEEDMN CN(C)C(=O)c1cccc(CN2CC[C@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000292300507 552713667 /nfs/dbraw/zinc/71/36/67/552713667.db2.gz UUCIZCCQQYUAFC-SFHVURJKSA-N 0 1 350.422 2.308 20 30 FEEDMN CN(C)C(=O)c1cccc(CN2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000292300502 552713788 /nfs/dbraw/zinc/71/37/88/552713788.db2.gz UUCIZCCQQYUAFC-GOSISDBHSA-N 0 1 350.422 2.308 20 30 FEEDMN COc1cc(CN2CC[C@H](Oc3ccc(C#N)cn3)C2)cc(OC)c1O ZINC000292723544 552752621 /nfs/dbraw/zinc/75/26/21/552752621.db2.gz FOIBRSOOGSXXJC-HNNXBMFYSA-N 0 1 355.394 2.329 20 30 FEEDMN COc1ccc(CCC(=O)N2CCCN(CCOCCC#N)CC2)cc1 ZINC000293089208 552787751 /nfs/dbraw/zinc/78/77/51/552787751.db2.gz NAMQYUZZQVUBOC-UHFFFAOYSA-N 0 1 359.470 2.092 20 30 FEEDMN C=CCS(=O)(=O)CCNCc1c[nH]c(C(=O)OCc2ccccc2)c1 ZINC000294669414 552925434 /nfs/dbraw/zinc/92/54/34/552925434.db2.gz AIXBTOZWOSNZCG-UHFFFAOYSA-N 0 1 362.451 2.062 20 30 FEEDMN N#Cc1ccncc1N1CCC([C@@H]2OCC[C@H]2NC(=O)C(F)(F)F)CC1 ZINC000295707256 553047617 /nfs/dbraw/zinc/04/76/17/553047617.db2.gz JUAOIASHBLBJBA-HIFRSBDPSA-N 0 1 368.359 2.006 20 30 FEEDMN N#Cc1cccc(N2CCC([C@@H]3OCC[C@H]3NC(=O)C(F)(F)F)CC2)n1 ZINC000295869033 553069488 /nfs/dbraw/zinc/06/94/88/553069488.db2.gz YUMMPUOICWIUIU-HIFRSBDPSA-N 0 1 368.359 2.006 20 30 FEEDMN Cc1nc(N2CCCN(Cc3ccc(C#N)cc3)CC2)ncc1[N+](=O)[O-] ZINC000296633296 553190849 /nfs/dbraw/zinc/19/08/49/553190849.db2.gz VVDFLJFVAJZBOT-UHFFFAOYSA-N 0 1 352.398 2.277 20 30 FEEDMN C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@H](C)[S@@](=O)CC1)C(C)C ZINC000297013409 553242317 /nfs/dbraw/zinc/24/23/17/553242317.db2.gz HONNVOYWOKDCAD-SRGWNRLKSA-N 0 1 355.548 2.238 20 30 FEEDMN CCC[C@H]1CN(C(=O)Nc2snc(C)c2C#N)CCN1CCOC ZINC000297523430 553304011 /nfs/dbraw/zinc/30/40/11/553304011.db2.gz XBUWGWJYMNPBMO-ZDUSSCGKSA-N 0 1 351.476 2.288 20 30 FEEDMN N#Cc1cc([N+](=O)[O-])cnc1N1CCC(CCCN2CCOCC2)CC1 ZINC000503275982 561638754 /nfs/dbraw/zinc/63/87/54/561638754.db2.gz PLMZWZLNKKOXIX-UHFFFAOYSA-N 0 1 359.430 2.190 20 30 FEEDMN N#CC[C@@H]1CC[C@H](NC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)C1 ZINC000298170522 553393403 /nfs/dbraw/zinc/39/34/03/553393403.db2.gz QPTLOOSQPGSZTN-OJAHFUOMSA-N 0 1 370.497 2.251 20 30 FEEDMN N#CC[C@@H]1CC[C@H](NC(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@@H]2CO)C1 ZINC000298170522 553393404 /nfs/dbraw/zinc/39/34/04/553393404.db2.gz QPTLOOSQPGSZTN-OJAHFUOMSA-N 0 1 370.497 2.251 20 30 FEEDMN C=CCN1C(=S)N=NC1c1sc(NC(=O)CN(CC)CC)nc1C ZINC000298772227 553470916 /nfs/dbraw/zinc/47/09/16/553470916.db2.gz GLOHUZHBURANGA-UHFFFAOYSA-N 0 1 366.516 2.465 20 30 FEEDMN CC1CCC(N2CCN(C(=O)NCC3([S@@](C)=O)CCC3)CC2)CC1 ZINC000328599093 553794815 /nfs/dbraw/zinc/79/48/15/553794815.db2.gz BRSIFXFAYMGYEV-KQPQDQJMSA-N 0 1 355.548 2.398 20 30 FEEDMN Cc1noc(C)c1C[C@H](C)NC(=O)N1CCC[C@H](CN2CCOCC2)C1 ZINC000328667471 553804749 /nfs/dbraw/zinc/80/47/49/553804749.db2.gz DDCYDQIRKZMXPB-WMLDXEAASA-N 0 1 364.490 2.181 20 30 FEEDMN CC(C)CN1CCO[C@H](CNC(=O)N[C@@H]2CCCC23CCOCC3)C1 ZINC000328784141 553821852 /nfs/dbraw/zinc/82/18/52/553821852.db2.gz KEWHQJWYIHYWJM-IAGOWNOFSA-N 0 1 353.507 2.196 20 30 FEEDMN COCCN1CC[C@H](NC(=O)N2CC[C@@H](Oc3cccc(Cl)c3)C2)C1 ZINC000328810464 553825476 /nfs/dbraw/zinc/82/54/76/553825476.db2.gz DVSACURWYOWEPS-DOTOQJQBSA-N 0 1 367.877 2.428 20 30 FEEDMN O=C(CN1CCC[C@H](O)CC1)NC1CCN(C(=O)C2CCCCC2)CC1 ZINC000328811528 553826148 /nfs/dbraw/zinc/82/61/48/553826148.db2.gz MTRITDQBZVZEGP-SFHVURJKSA-N 0 1 365.518 2.361 20 30 FEEDMN C[N@@H+](CC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)[C@H]1CCSC1 ZINC000328896304 553840934 /nfs/dbraw/zinc/84/09/34/553840934.db2.gz BZMGHWUFVVCIKE-INIZCTEOSA-N 0 1 359.495 2.365 20 30 FEEDMN CN(CC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)[C@H]1CCSC1 ZINC000328896304 553840937 /nfs/dbraw/zinc/84/09/37/553840937.db2.gz BZMGHWUFVVCIKE-INIZCTEOSA-N 0 1 359.495 2.365 20 30 FEEDMN CO[C@@H]1C[C@@H](c2nnc[nH]2)N(C(=O)[C@@H](C)NC(=O)CC2CCCCC2)C1 ZINC000328966333 553855246 /nfs/dbraw/zinc/85/52/46/553855246.db2.gz MUEIYQJOEZWAOY-YUELXQCFSA-N 0 1 363.462 2.409 20 30 FEEDMN C[C@]1(O)CCOC[C@H]1[C@H]1CCC[N@H+]1CC(=O)Nc1ccc2c(c1)OCO2 ZINC000328978061 553857559 /nfs/dbraw/zinc/85/75/59/553857559.db2.gz QQWJUZWWWLLRKD-KHYOSLBOSA-N 0 1 362.426 2.255 20 30 FEEDMN C[C@@H]1CN(c2ccc(C(=O)N[C@@H]3CCc4nc[nH]c4C3)cn2)C[C@@H](C)O1 ZINC000328984991 553859094 /nfs/dbraw/zinc/85/90/94/553859094.db2.gz ZKVAMNYNPITQJI-UMVBOHGHSA-N 0 1 355.442 2.280 20 30 FEEDMN CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(C(=O)N[C@@H]2CCOC3(CCCC3)C2)C1 ZINC000329044738 553870886 /nfs/dbraw/zinc/87/08/86/553870886.db2.gz JELXTRWLKYWCAG-KFWWJZLASA-N 0 1 363.462 2.281 20 30 FEEDMN COc1ccnc(N2CCN(C(=O)N[C@H]3CCc4ccccc4C3)CC2)n1 ZINC000329096625 553879553 /nfs/dbraw/zinc/87/95/53/553879553.db2.gz BVNGFHGOOXEAQN-KRWDZBQOSA-N 0 1 367.453 2.079 20 30 FEEDMN COCc1cccc(CC(=O)NC2CCN([C@H]3CCN(C)C3=O)CC2)c1 ZINC000329160712 553892069 /nfs/dbraw/zinc/89/20/69/553892069.db2.gz FIHNNBJCEXONBD-SFHVURJKSA-N 0 1 359.470 2.027 20 30 FEEDMN CN1CC[C@@H](N2CCC(NC(=O)Cc3ccc4c(c3)CCC4)CC2)C1=O ZINC000329179726 553896882 /nfs/dbraw/zinc/89/68/82/553896882.db2.gz NNUHOESPSPWXBS-LJQANCHMSA-N 0 1 355.482 2.369 20 30 FEEDMN CN1CC[C@H](N2CCC(NC(=O)CNC(=O)CC3CCCC3)CC2)C1=O ZINC000329193084 553899534 /nfs/dbraw/zinc/89/95/34/553899534.db2.gz SGDQLMSJUDONCZ-INIZCTEOSA-N 0 1 364.490 2.175 20 30 FEEDMN CC(C)[C@@H]1CN(C)CCN1C(=O)Nc1ccccc1CN1C(=O)CCC1=O ZINC000329250083 553910946 /nfs/dbraw/zinc/91/09/46/553910946.db2.gz AXNUWQRSDQBHDE-KRWDZBQOSA-N 0 1 372.469 2.153 20 30 FEEDMN C[C@H]1[C@H](C)N(C(=O)Nc2ccc(F)c(N3C(=O)CCC3=O)c2)CCN1C ZINC000329256232 553912152 /nfs/dbraw/zinc/91/21/52/553912152.db2.gz XLYKVBNQHJUAKX-RYUDHWBXSA-N 0 1 362.405 2.049 20 30 FEEDMN CC(=O)NC[C@@H]1CCn2ncc(C(=O)NCCN3CC=C(C)CC3)c2C1 ZINC000329259545 553912786 /nfs/dbraw/zinc/91/27/86/553912786.db2.gz ARAJHGNCYAOKES-MRXNPFEDSA-N 0 1 359.474 2.379 20 30 FEEDMN Cc1cn2c(n1)[C@H](CNC([O-])=[NH+][C@@H]1CCc3nnc(C(C)C)n3C1)CCC2 ZINC000329364005 553932319 /nfs/dbraw/zinc/93/23/19/553932319.db2.gz ZVZGGNSVCWSFOY-LSDHHAIUSA-N 0 1 371.489 2.302 20 30 FEEDMN Cc1cn2c(n1)[C@H](C[NH+]=C([O-])N[C@@H]1CCc3nnc(C(C)C)n3C1)CCC2 ZINC000329364005 553932322 /nfs/dbraw/zinc/93/23/22/553932322.db2.gz ZVZGGNSVCWSFOY-LSDHHAIUSA-N 0 1 371.489 2.302 20 30 FEEDMN C[C@@H]1CN(C(=O)NC[C@@H]2CCCN(C)[C@H]2c2ccnn2C)CCS1 ZINC000329474959 553953740 /nfs/dbraw/zinc/95/37/40/553953740.db2.gz NOOPHRYPPLHQQY-IJEWVQPXSA-N 0 1 351.520 2.154 20 30 FEEDMN CC[C@@H](NC(=O)c1cccn2c(O)nnc12)c1nnc2n1CCCCC2 ZINC000329516500 553961129 /nfs/dbraw/zinc/96/11/29/553961129.db2.gz OZEKJROCXCWRFE-GFCCVEGCSA-N 0 1 355.402 2.209 20 30 FEEDMN CC(C)(C)N1C[C@H](NC(=O)N2CC[C@@H](n3cc(Cl)cn3)C2)CC1=O ZINC000329544286 553965208 /nfs/dbraw/zinc/96/52/08/553965208.db2.gz FXDXAJITGAGANS-CHWSQXEVSA-N 0 1 353.854 2.097 20 30 FEEDMN C=CCNS(=O)(=O)c1cccc(C(=O)Nc2ncc(C(F)(F)F)[nH]2)c1 ZINC000506908878 561711517 /nfs/dbraw/zinc/71/15/17/561711517.db2.gz IVVGMQSHUQELFO-UHFFFAOYSA-N 0 1 374.344 2.145 20 30 FEEDMN N#Cc1c(NC(=O)CCN2CCSC[C@H]2CO)sc2c1CCC2 ZINC000329621795 553978382 /nfs/dbraw/zinc/97/83/82/553978382.db2.gz FQNRYUAXSLTMAF-LLVKDONJSA-N 0 1 351.497 2.496 20 30 FEEDMN [O-]C(=[NH+][C@@H]1CCc2[nH]cnc2C1)N1CCC[C@H](c2noc(C3CC3)n2)C1 ZINC000329630623 553979601 /nfs/dbraw/zinc/97/96/01/553979601.db2.gz QXIRCDOLIDOPLD-QWHCGFSZSA-N 0 1 356.430 2.321 20 30 FEEDMN CC[C@H](C)N[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1)c1ccco1 ZINC000506950396 561712420 /nfs/dbraw/zinc/71/24/20/561712420.db2.gz KXSFMHVIFCWRDT-BBRMVZONSA-N 0 1 354.410 2.335 20 30 FEEDMN 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ZINC000329982557 554043514 /nfs/dbraw/zinc/04/35/14/554043514.db2.gz AKRHWSFUNKNEAD-OGWOLHLISA-N 0 1 362.474 2.115 20 30 FEEDMN Cc1cccc(CC2(O)CCN(C([O-])=[NH+][C@@H]3CCn4ccnc4C3)CC2)c1 ZINC000329991162 554045732 /nfs/dbraw/zinc/04/57/32/554045732.db2.gz JQFYYGJNFOXHBG-GOSISDBHSA-N 0 1 368.481 2.490 20 30 FEEDMN C[C@]1(C(N)=O)CCN(C(=O)NCC2(CN3CCOCC3)CCCCC2)C1 ZINC000329999751 554046975 /nfs/dbraw/zinc/04/69/75/554046975.db2.gz VGRCPOWDRQBCOM-SFHVURJKSA-N 0 1 366.506 2.430 20 30 FEEDMN O=C(NC1CCN(Cc2ccc(F)cc2)CC1)c1cn([C@H]2CCOC2)nn1 ZINC000330063874 554057509 /nfs/dbraw/zinc/05/75/09/554057509.db2.gz QJTGWTJFGMFUIZ-KRWDZBQOSA-N 0 1 373.432 2.348 20 30 FEEDMN Cc1cccc2c(CC[NH+]=C([O-])N3CCc4c(ncn(C)c4=O)C3)c[nH]c21 ZINC000330069937 554059061 /nfs/dbraw/zinc/05/90/61/554059061.db2.gz WRESNXMQHSRTIP-UHFFFAOYSA-N 0 1 365.437 2.085 20 30 FEEDMN Cn1cnc2c(c1=O)CCN(C(=O)N[C@@H]1CCc3cc(Cl)ccc31)C2 ZINC000330072969 554059539 /nfs/dbraw/zinc/05/95/39/554059539.db2.gz ZLWWILMYAPGAGM-OAHLLOKOSA-N 0 1 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YFORYVYRWGAHOX-FQEVSTJZSA-N 0 1 374.444 2.292 20 30 FEEDMN CC1CCC(N2CCN(C(=O)C(=O)Nc3ccc(C#N)cc3)CC2)CC1 ZINC000115890732 325985607 /nfs/dbraw/zinc/98/56/07/325985607.db2.gz BZMJDJXLTLTKNT-UHFFFAOYSA-N 0 1 354.454 2.220 20 30 FEEDMN CC[C@@H]1CN(Cc2ncc(-c3ccc(C#N)cc3)o2)CCN1C[C@@H](C)O ZINC000119152105 326131818 /nfs/dbraw/zinc/13/18/18/326131818.db2.gz GVIWOIJZGJBFHR-CRAIPNDOSA-N 0 1 354.454 2.490 20 30 FEEDMN COC(=O)c1ccc(CNCc2cnc3ccc(C#N)cn23)cc1OC ZINC000120097736 326230367 /nfs/dbraw/zinc/23/03/67/326230367.db2.gz HKPQWFWLQXNGTB-UHFFFAOYSA-N 0 1 350.378 2.291 20 30 FEEDMN C[C@@H]1CN(Cc2ccc(CNC(=O)c3ccc(C#N)[nH]3)cc2)C[C@@H](C)O1 ZINC000157298489 326861597 /nfs/dbraw/zinc/86/15/97/326861597.db2.gz RGZHFCBFQCEUKO-HUUCEWRRSA-N 0 1 352.438 2.426 20 30 FEEDMN CC[C@@H]1CN(C(=O)Nc2cc(C#N)cn2C(C)(C)C)CCN1C[C@@H](C)O ZINC000173270659 327245610 /nfs/dbraw/zinc/24/56/10/327245610.db2.gz HNVKJQFKJLXBJP-GDBMZVCRSA-N 0 1 361.490 2.424 20 30 FEEDMN N#Cc1c(NC(=O)CCN2CC[C@@](O)(C(F)(F)F)C2)sc2c1CCC2 ZINC000174747621 327348070 /nfs/dbraw/zinc/34/80/70/327348070.db2.gz LZLZVGGTFLMYNU-HNNXBMFYSA-N 0 1 373.400 2.436 20 30 FEEDMN Cc1ccc2nc(CNC(=O)CCc3c(C)[nH]c(=O)c(C#N)c3C)[nH]c2c1 ZINC000174905313 327360179 /nfs/dbraw/zinc/36/01/79/327360179.db2.gz ZMCVUCXXPLJIRP-UHFFFAOYSA-N 0 1 363.421 2.297 20 30 FEEDMN CNC(=O)c1ccc(CN[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 ZINC000272519316 329787555 /nfs/dbraw/zinc/78/75/55/329787555.db2.gz ISVHUGMUGFLCLD-LJQANCHMSA-N 0 1 362.433 2.203 20 30 FEEDMN Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NCC(=O)Nc1sccc1C#N ZINC000275229976 330024396 /nfs/dbraw/zinc/02/43/96/330024396.db2.gz CXKDFBJGAYYTDJ-BBRMVZONSA-N 0 1 359.455 2.028 20 30 FEEDMN Cc1[nH]ncc1CCCNC(=O)[C@@H]1CCCN(c2nc(C)ccc2C#N)C1 ZINC000377933563 330252954 /nfs/dbraw/zinc/25/29/54/330252954.db2.gz VQTNNAGXWNJQOD-GOSISDBHSA-N 0 1 366.469 2.259 20 30 FEEDMN CCOC(=O)COCCN1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000554958388 674343139 /nfs/dbraw/zinc/34/31/39/674343139.db2.gz 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C[C@H](CNS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N)N(C)C1CC1 ZINC000157151725 545707346 /nfs/dbraw/zinc/70/73/46/545707346.db2.gz YWYNFMIMYVLJBF-SNVBAGLBSA-N 0 1 361.389 2.338 20 30 FEEDMN C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)c3ccc(C#N)[nH]3)cc2)C[C@H](C)O1 ZINC000157298184 545724122 /nfs/dbraw/zinc/72/41/22/545724122.db2.gz RGZHFCBFQCEUKO-GASCZTMLSA-N 0 1 352.438 2.426 20 30 FEEDMN C[C@@H]1CN(Cc2ccc(CNC(=O)c3ccc(C#N)[nH]3)cc2)C[C@H](C)O1 ZINC000157298184 545724125 /nfs/dbraw/zinc/72/41/25/545724125.db2.gz RGZHFCBFQCEUKO-GASCZTMLSA-N 0 1 352.438 2.426 20 30 FEEDMN CC[C@@H](CO)N1CCN(C(=O)Nc2ccc(OC(C)C)c(C#N)c2)CC1 ZINC000157773197 545781391 /nfs/dbraw/zinc/78/13/91/545781391.db2.gz KYRYGCTXBOJFMC-KRWDZBQOSA-N 0 1 360.458 2.266 20 30 FEEDMN CC[N@H+]1CCCN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC1 ZINC000158217987 545836721 /nfs/dbraw/zinc/83/67/21/545836721.db2.gz YJIDAKGKJNKAIE-UHFFFAOYSA-N 0 1 367.415 2.201 20 30 FEEDMN Cc1cccc2nc(CNC(=O)C(=O)Nc3ccc(F)cc3C#N)[nH]c21 ZINC000159213123 545932389 /nfs/dbraw/zinc/93/23/89/545932389.db2.gz ASGUZLMCQYKIJH-UHFFFAOYSA-N 0 1 351.341 2.137 20 30 FEEDMN CCOc1ccc(N(CCC#N)C(=O)CN(C)C[C@@H]2CCC[C@@H]2O)cc1 ZINC000159463389 545955988 /nfs/dbraw/zinc/95/59/88/545955988.db2.gz UYPCCNSSXKUPQE-LPHOPBHVSA-N 0 1 359.470 2.425 20 30 FEEDMN CCOc1ccc(N(CCC#N)C(=O)CN(C)C[C@H]2CCC[C@@H]2O)cc1 ZINC000159463513 545956430 /nfs/dbraw/zinc/95/64/30/545956430.db2.gz UYPCCNSSXKUPQE-APWZRJJASA-N 0 1 359.470 2.425 20 30 FEEDMN CC(C)Oc1ccc(NS(=O)(=O)c2ccccc2C#N)cc1C(N)=O ZINC000478705104 561173210 /nfs/dbraw/zinc/17/32/10/561173210.db2.gz RSRYFNSQTPVVFZ-UHFFFAOYSA-N 0 1 359.407 2.245 20 30 FEEDMN CCCCNC(=O)[C@@H]1CC[C@H](C)N(CC(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000166094900 546154447 /nfs/dbraw/zinc/15/44/47/546154447.db2.gz WYLPVDHSWDFHHA-FCEWJHQRSA-N 0 1 350.507 2.058 20 30 FEEDMN C=CCN1CCC(NC(=O)c2nn(-c3ccccc3F)c(C)cc2=O)CC1 ZINC000171722549 546221556 /nfs/dbraw/zinc/22/15/56/546221556.db2.gz IVNYVIOUBYQRBE-UHFFFAOYSA-N 0 1 370.428 2.060 20 30 FEEDMN N#Cc1ccc(CC(=O)NCC2(CN3CCOCC3)CCCCC2)cc1 ZINC000175649512 546327127 /nfs/dbraw/zinc/32/71/27/546327127.db2.gz BTQCANYFRUNMAL-UHFFFAOYSA-N 0 1 355.482 2.500 20 30 FEEDMN C#CCN1CCC(C(=O)OCc2cn(-c3ccc(Cl)cc3)nn2)CC1 ZINC000176925792 546509660 /nfs/dbraw/zinc/50/96/60/546509660.db2.gz FCANEKMQFDBKQL-UHFFFAOYSA-N 0 1 358.829 2.309 20 30 FEEDMN C[C@@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000177658964 546661700 /nfs/dbraw/zinc/66/17/00/546661700.db2.gz JXDUBKSMLQYWMR-DGCLKSJQSA-N 0 1 373.400 2.434 20 30 FEEDMN C=CCc1cc(C(=O)N2CCN(C[C@@H]3CCOC3)CC2)cc(OC)c1OC ZINC000178107486 546740213 /nfs/dbraw/zinc/74/02/13/546740213.db2.gz XJZFSJPHJQNBEY-INIZCTEOSA-N 0 1 374.481 2.227 20 30 FEEDMN CN1CC[C@@H](NC(=O)C(=O)Nc2ccc(F)cc2C#N)[C@@H]1c1ccccc1 ZINC000179475235 546961198 /nfs/dbraw/zinc/96/11/98/546961198.db2.gz KQTSMHYKOYVWOB-MSOLQXFVSA-N 0 1 366.396 2.197 20 30 FEEDMN N#Cc1ccc(CC(=O)N2CCC(CCCN3CCOCC3)CC2)cc1 ZINC000180309041 547082476 /nfs/dbraw/zinc/08/24/76/547082476.db2.gz OMMHWYFLMGJCLN-UHFFFAOYSA-N 0 1 355.482 2.452 20 30 FEEDMN C=CCc1ccccc1OC[C@@H](O)CN1CCCN(CC(F)F)CC1 ZINC000180575024 547132586 /nfs/dbraw/zinc/13/25/86/547132586.db2.gz DOZAXEXXMCMFES-KRWDZBQOSA-N 0 1 354.441 2.428 20 30 FEEDMN N#CC(C(=O)c1cncc(N2CCOCC2)c1)c1cnc2ccccc2n1 ZINC000483240435 561271559 /nfs/dbraw/zinc/27/15/59/561271559.db2.gz ULNOPUMWKDQYFP-INIZCTEOSA-N 0 1 359.389 2.351 20 30 FEEDMN C[C@@H](NCC(=O)N[C@](C)(C#N)C1CC1)c1cccc(N2CCCC2=O)c1 ZINC000181398877 547308080 /nfs/dbraw/zinc/30/80/80/547308080.db2.gz DACAQQBDFCNKAG-JLTOFOAXSA-N 0 1 354.454 2.272 20 30 FEEDMN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@@H](CC)c1cccc(S(N)(=O)=O)c1 ZINC000181747614 547373260 /nfs/dbraw/zinc/37/32/60/547373260.db2.gz DVNRNSOGDDVPTO-PBHICJAKSA-N 0 1 367.515 2.188 20 30 FEEDMN COc1cccc([C@@H]2[C@H](NC(=O)C3(C#N)CCOCC3)CCN2C2CC2)c1 ZINC000183266204 547630029 /nfs/dbraw/zinc/63/00/29/547630029.db2.gz QXJBJRZXPITBAW-RTBURBONSA-N 0 1 369.465 2.410 20 30 FEEDMN N#Cc1ccc(N2CCC[C@H](N3CCC(Cn4cncn4)CC3)C2=O)cc1 ZINC000186267681 548109831 /nfs/dbraw/zinc/10/98/31/548109831.db2.gz PJJVCBOCUPQWAX-IBGZPJMESA-N 0 1 364.453 2.057 20 30 FEEDMN Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N(C)CC2(O)CCOCC2)cc1 ZINC000189774788 548310940 /nfs/dbraw/zinc/31/09/40/548310940.db2.gz OTFDJYWRICKMGO-QGZVFWFLSA-N 0 1 359.470 2.104 20 30 FEEDMN CN1C(=O)c2ccc(C(=O)C(C#N)c3cnc4ccccc4n3)cc2C1=O ZINC000190894823 548336230 /nfs/dbraw/zinc/33/62/30/548336230.db2.gz YTYBCQYINAUNLZ-CQSZACIVSA-N 0 1 356.341 2.346 20 30 FEEDMN N#CCc1ccccc1NS(=O)(=O)c1c[nH]c(C(=O)N2CCCC2)c1 ZINC000193357787 548385857 /nfs/dbraw/zinc/38/58/57/548385857.db2.gz PXWKYTGMQSECHE-UHFFFAOYSA-N 0 1 358.423 2.118 20 30 FEEDMN Cn1cc(-c2ccnc(NS(=O)(=O)c3ccc(Cl)c(C#N)c3)n2)cn1 ZINC000486574050 561351187 /nfs/dbraw/zinc/35/11/87/561351187.db2.gz KCRCOLKHKXJWPS-UHFFFAOYSA-N 0 1 374.813 2.203 20 30 FEEDMN COc1ccc(NS(=O)(=O)c2cccc(C)c2C#N)cc1NC(N)=O ZINC000487359861 561368330 /nfs/dbraw/zinc/36/83/30/561368330.db2.gz BMNACNQSZQVJRV-UHFFFAOYSA-N 0 1 360.395 2.167 20 30 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Cn1c(=O)c2ccc(C(=O)NCC3CCC(C#N)CC3)cc2[nH]c1=S ZINC000282290680 551207470 /nfs/dbraw/zinc/20/74/70/551207470.db2.gz LQGGKNJXPJPFIG-UHFFFAOYSA-N 0 1 356.451 2.282 20 30 FEEDMN C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H](Cc1cnc[nH]1)NC(C)=O ZINC000282965752 551290817 /nfs/dbraw/zinc/29/08/17/551290817.db2.gz MBXODMAFXARNKA-AWEZNQCLSA-N 0 1 366.874 2.387 20 30 FEEDMN CN1CCN(CC(=O)NCc2ccc(C#N)cc2)C[C@H]1Cc1ccccc1 ZINC000284927226 551669497 /nfs/dbraw/zinc/66/94/97/551669497.db2.gz YCLIZPRTVVMSHG-OAQYLSRUSA-N 0 1 362.477 2.033 20 30 FEEDMN COC[C@](C)(C#N)NC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000285589365 551779413 /nfs/dbraw/zinc/77/94/13/551779413.db2.gz HSSKIPZLSVVWPJ-WBVHZDCISA-N 0 1 351.397 2.189 20 30 FEEDMN Cn1nccc1[C@H]1[C@H](CNC(=O)c2ccc(F)c(C#N)c2)CCCN1C ZINC000286116862 551850485 /nfs/dbraw/zinc/85/04/85/551850485.db2.gz LZGGTBAZWJDEKB-KBXCAEBGSA-N 0 1 355.417 2.244 20 30 FEEDMN CCN(CC)CC(=O)Nc1cccc(NC(=O)c2ccnc(C#N)c2)c1 ZINC000287361819 551994482 /nfs/dbraw/zinc/99/44/82/551994482.db2.gz WUNGWQOVOHXOKH-UHFFFAOYSA-N 0 1 351.410 2.486 20 30 FEEDMN Cc1cc(C[C@@H](C)NC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)n[nH]1 ZINC000287502623 552012457 /nfs/dbraw/zinc/01/24/57/552012457.db2.gz YXUNMZUPWBVLLE-IUODEOHRSA-N 0 1 355.417 2.303 20 30 FEEDMN CCN(CC)CC(=O)Nc1cccc(NC(=O)C2(C#N)CCOCC2)c1 ZINC000288141038 552098795 /nfs/dbraw/zinc/09/87/95/552098795.db2.gz IYHKRIRAFAQVAC-UHFFFAOYSA-N 0 1 358.442 2.226 20 30 FEEDMN C=CCOc1ccc(CNC(=O)N2CC[C@H](N3CCN(CC)CC3)C2)cc1 ZINC000288370486 552142092 /nfs/dbraw/zinc/14/20/92/552142092.db2.gz JEBUAMSYHKKVQM-IBGZPJMESA-N 0 1 372.513 2.173 20 30 FEEDMN Cc1nc([C@H](C)NC(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)n[nH]1 ZINC000288577557 552178286 /nfs/dbraw/zinc/17/82/86/552178286.db2.gz XYJWAWNMMNCOOV-QGLTVNCISA-N 0 1 369.429 2.130 20 30 FEEDMN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2S(=O)(=O)c1cncc(C#N)c1 ZINC000289648382 552355906 /nfs/dbraw/zinc/35/59/06/552355906.db2.gz GCEGNJHNCXZHOS-MJGOQNOKSA-N 0 1 368.462 2.258 20 30 FEEDMN COc1ccc([C@H](NCCS(=O)(=O)c2ccc(C#N)cn2)C2CC2)cc1 ZINC000290078167 552424121 /nfs/dbraw/zinc/42/41/21/552424121.db2.gz WLMYVYACNZRBJA-LJQANCHMSA-N 0 1 371.462 2.476 20 30 FEEDMN CN1CC[C@H](NC(=O)C(=O)Nc2ccc(C#N)c(F)c2)[C@H]1c1ccccc1 ZINC000290895130 552557934 /nfs/dbraw/zinc/55/79/34/552557934.db2.gz VGDIMYYGGTXZHV-ZWKOTPCHSA-N 0 1 366.396 2.197 20 30 FEEDMN CN(C)C[C@@H]1CCc2ccccc2N1S(=O)(=O)c1ccc(C#N)nc1 ZINC000291792042 552662146 /nfs/dbraw/zinc/66/21/46/552662146.db2.gz AAGGVGGGPNAGGD-INIZCTEOSA-N 0 1 356.451 2.025 20 30 FEEDMN C[C@H]1CN(C2CCC2)CCN(S(=O)(=O)c2ccc(C#N)c(F)c2)C1 ZINC000291826802 552665993 /nfs/dbraw/zinc/66/59/93/552665993.db2.gz FPDRYIUTXKEUHB-ZDUSSCGKSA-N 0 1 351.447 2.192 20 30 FEEDMN Cc1nc(NC2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)c(Cl)cc1C#N ZINC000292769971 552757109 /nfs/dbraw/zinc/75/71/09/552757109.db2.gz WQBAFOSSQOQJIF-GOOCMWNKSA-N 0 1 361.877 2.411 20 30 FEEDMN CCNC(=O)[C@@H](NCC(=O)N(CCC#N)c1cccc(C)c1C)C(C)C ZINC000293289320 552808166 /nfs/dbraw/zinc/80/81/66/552808166.db2.gz OPRXTGOQLABNSM-IBGZPJMESA-N 0 1 358.486 2.300 20 30 FEEDMN C[C@@H]1C[C@H](NC(=O)C(=O)Nc2sccc2C#N)C[N@H+]1Cc1ccccc1 ZINC000294227616 552889577 /nfs/dbraw/zinc/88/95/77/552889577.db2.gz XNZCXLCNHIGPIM-CJNGLKHVSA-N 0 1 368.462 2.337 20 30 FEEDMN C[C@@H]1C[C@H](NC(=O)C(=O)Nc2sccc2C#N)CN1Cc1ccccc1 ZINC000294227616 552889579 /nfs/dbraw/zinc/88/95/79/552889579.db2.gz XNZCXLCNHIGPIM-CJNGLKHVSA-N 0 1 368.462 2.337 20 30 FEEDMN C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCC[C@@H](CC(C)(C)C(N)=O)C1 ZINC000295085569 552957585 /nfs/dbraw/zinc/95/75/85/552957585.db2.gz BLIIJTAIKSLZSH-ZBFHGGJFSA-N 0 1 356.470 2.499 20 30 FEEDMN N#Cc1ccc(Br)c(CN2CCCC[C@H]2c2nc(=O)[nH][nH]2)c1 ZINC000295149868 552963904 /nfs/dbraw/zinc/96/39/04/552963904.db2.gz FDPQSCRROSMTKQ-ZDUSSCGKSA-N 0 1 362.231 2.459 20 30 FEEDMN N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)NCc1n[nH]c(C2CC2)n1 ZINC000295214866 552970570 /nfs/dbraw/zinc/97/05/70/552970570.db2.gz GXNHPLYEIDHAJF-UHFFFAOYSA-N 0 1 371.344 2.051 20 30 FEEDMN CC(C)(C[C@H]1CCCN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1)C(N)=O ZINC000295513813 553018988 /nfs/dbraw/zinc/01/89/88/553018988.db2.gz IBTYMYCODPUGES-SJLPKXTDSA-N 0 1 368.481 2.277 20 30 FEEDMN C=CCOc1ccc(CC(=O)N2CCC[C@H](CN3CCOCC3)C2)cc1 ZINC000295930888 553077625 /nfs/dbraw/zinc/07/76/25/553077625.db2.gz IISLEKXYCHRDMF-LJQANCHMSA-N 0 1 358.482 2.365 20 30 FEEDMN N#Cc1cc(F)ccc1CS(=O)(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000296384786 553151245 /nfs/dbraw/zinc/15/12/45/553151245.db2.gz TZJPUVLNNPUAFQ-KRWDZBQOSA-N 0 1 351.447 2.134 20 30 FEEDMN N#Cc1cc(F)ccc1CS(=O)(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000296384786 553151247 /nfs/dbraw/zinc/15/12/47/553151247.db2.gz TZJPUVLNNPUAFQ-KRWDZBQOSA-N 0 1 351.447 2.134 20 30 FEEDMN N#Cc1ccc(OC[C@H](O)CN(Cc2cccc(C(N)=O)c2)C2CC2)cc1 ZINC000296667804 553195672 /nfs/dbraw/zinc/19/56/72/553195672.db2.gz KNMIPOCFDDHIPV-LJQANCHMSA-N 0 1 365.433 2.061 20 30 FEEDMN CO[C@H](Cc1ccccc1)CN1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000296723369 553203191 /nfs/dbraw/zinc/20/31/91/553203191.db2.gz HRTTTXJJKQZFDU-FUHWJXTLSA-N 0 1 351.454 2.116 20 30 FEEDMN C[C@H]1CC(F)(F)CCN1C(=O)C(=O)N=c1[nH]n(C(C)(C)C)cc1C#N ZINC000600057305 553209907 /nfs/dbraw/zinc/20/99/07/553209907.db2.gz IYROPIRWHFMBHJ-JTQLQIEISA-N 0 1 353.373 2.094 20 30 FEEDMN N#CC[C@@H]1CC[C@H](NC(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)C1 ZINC000298170526 553393336 /nfs/dbraw/zinc/39/33/36/553393336.db2.gz QPTLOOSQPGSZTN-RNQOJCNYSA-N 0 1 370.497 2.251 20 30 FEEDMN N#CC[C@@H]1CC[C@H](NC(=O)N[C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)C1 ZINC000298170526 553393338 /nfs/dbraw/zinc/39/33/38/553393338.db2.gz QPTLOOSQPGSZTN-RNQOJCNYSA-N 0 1 370.497 2.251 20 30 FEEDMN C#CCN1CCC(C(=O)N2CCN(c3ccccc3OCC)CC2)CC1 ZINC000299161118 553523111 /nfs/dbraw/zinc/52/31/11/553523111.db2.gz QYBQVXBVKNEJET-UHFFFAOYSA-N 0 1 355.482 2.079 20 30 FEEDMN C#CC[C@@H](NCCS(=O)(=O)CC(=O)OC(C)(C)C)c1ccccc1 ZINC000299166631 553524545 /nfs/dbraw/zinc/52/45/45/553524545.db2.gz XTURQNISDCBIPA-MRXNPFEDSA-N 0 1 351.468 2.097 20 30 FEEDMN COc1ccccc1C[C@H]1CCCN1CC(=O)N(CCC#N)CCC#N ZINC000299413054 553560290 /nfs/dbraw/zinc/56/02/90/553560290.db2.gz CLJSXQZXVXMEQH-GOSISDBHSA-N 0 1 354.454 2.358 20 30 FEEDMN CN(CCN1CCN(Cc2ccccc2)CC1)C(=O)NCC1(CC#N)CC1 ZINC000504122764 561653491 /nfs/dbraw/zinc/65/34/91/561653491.db2.gz SVRKZSJSTSDUES-UHFFFAOYSA-N 0 1 369.513 2.139 20 30 FEEDMN N#Cc1c2c(sc1NC(=O)CCN1CCCC3(C1)OCCO3)CCC2 ZINC000299725731 553608091 /nfs/dbraw/zinc/60/80/91/553608091.db2.gz UNJXQOPTFANNFO-UHFFFAOYSA-N 0 1 361.467 2.276 20 30 FEEDMN C[C@H](CNc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1)N1CCN(C)CC1 ZINC000301410267 553650113 /nfs/dbraw/zinc/65/01/13/553650113.db2.gz OPTZNZFIJHEUSS-CYBMUJFWSA-N 0 1 354.414 2.062 20 30 FEEDMN CN(C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1)C(=O)NCC[C@H]1CCCO1 ZINC000328631692 553799548 /nfs/dbraw/zinc/79/95/48/553799548.db2.gz RICFJTWNBWOJRB-CGTJXYLNSA-N 0 1 363.506 2.218 20 30 FEEDMN C[C@@H]1CC(CNC(=O)N2CCC[C@@H](CN3CCOCC3)C2)C[C@@H](C)O1 ZINC000328636493 553800255 /nfs/dbraw/zinc/80/02/55/553800255.db2.gz CLFYDHQGNKDJKV-ZACQAIPSSA-N 0 1 353.507 2.148 20 30 FEEDMN COC[C@H]1CCN(C(=O)NCC2(CN3CCOCC3)CCCCC2)C1 ZINC000328790199 553822913 /nfs/dbraw/zinc/82/29/13/553822913.db2.gz LGOIXFXIFOXSNX-KRWDZBQOSA-N 0 1 353.507 2.151 20 30 FEEDMN C[C@H](NC(=O)[C@H]1CCC(=O)N(C2CC2)[C@@H]1c1ccncc1)c1nnc[nH]1 ZINC000328930788 553847263 /nfs/dbraw/zinc/84/72/63/553847263.db2.gz AWDZISFXKLAEIU-HZUKXOBISA-N 0 1 354.414 2.360 20 30 FEEDMN C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)N1CCC[C@](O)(Cn2ccnn2)C1 ZINC000328938166 553848946 /nfs/dbraw/zinc/84/89/46/553848946.db2.gz JZOFKGOFPNZIQP-QLCXLMDBSA-N 0 1 363.506 2.275 20 30 FEEDMN O=C(CN1CCC[C@](O)(Cn2ccnn2)C1)NC12CC3CC(CC(C3)C1)C2 ZINC000328960239 553853441 /nfs/dbraw/zinc/85/34/41/553853441.db2.gz PKZSLMMKWVKVDY-AKMRJOLWSA-N 0 1 373.501 2.030 20 30 FEEDMN Cc1noc([C@H](NC(=O)N[C@H]2CCCc3cn[nH]c32)C2CCOCC2)n1 ZINC000328994344 553860968 /nfs/dbraw/zinc/86/09/68/553860968.db2.gz GFIUUNPKMZIFID-DZGCQCFKSA-N 0 1 360.418 2.150 20 30 FEEDMN CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(C(=O)C[C@H](C)NC(=O)C2CCCC2)C1 ZINC000329015983 553865211 /nfs/dbraw/zinc/86/52/11/553865211.db2.gz KBZQBCMSEBDXGM-GLQYFDAESA-N 0 1 363.462 2.327 20 30 FEEDMN O=C(NC[C@@H]1CCc2nc(C(F)(F)F)cn2C1)[C@H]1CCc2[nH]nnc2C1 ZINC000329070149 553874987 /nfs/dbraw/zinc/87/49/87/553874987.db2.gz YKQIRCAWVCBKCU-UWVGGRQHSA-N 0 1 368.363 2.344 20 30 FEEDMN O=C(NC[C@@H]1CCc2nc(C(F)(F)F)cn2C1)[C@H]1CCc2nn[nH]c2C1 ZINC000329070149 553874988 /nfs/dbraw/zinc/87/49/88/553874988.db2.gz YKQIRCAWVCBKCU-UWVGGRQHSA-N 0 1 368.363 2.344 20 30 FEEDMN O=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)N1CCC[C@H]1Cn1cc(C2CC2)nn1 ZINC000329087670 553877949 /nfs/dbraw/zinc/87/79/49/553877949.db2.gz VFMZJTXMAZPPFX-ONIAQPFYSA-N 0 1 371.485 2.492 20 30 FEEDMN CN1CC[C@H](N2CCC(NC(=O)Cc3cc(F)c(F)cc3F)CC2)C1=O ZINC000329155063 553891078 /nfs/dbraw/zinc/89/10/78/553891078.db2.gz CHCMXLUZYANPBF-INIZCTEOSA-N 0 1 369.387 2.298 20 30 FEEDMN CC(C)CN1CCO[C@H](CNC(=O)[C@H]2CSCN2C(=O)C2CCC2)C1 ZINC000329184850 553897990 /nfs/dbraw/zinc/89/79/90/553897990.db2.gz PVYDOOBOBXJSPD-HZPDHXFCSA-N 0 1 369.531 2.001 20 30 FEEDMN N#Cc1cc(F)cc(C2(C(=O)N3CCC(CN4CCOCC4)CC3)CC2)c1 ZINC000506322739 561695639 /nfs/dbraw/zinc/69/56/39/561695639.db2.gz AGJSEADFJGHOQT-UHFFFAOYSA-N 0 1 371.456 2.300 20 30 FEEDMN Cc1ccc(OCC(=O)NC2CCN([C@@H]3CCN(C)C3=O)CC2)cc1C ZINC000329195503 553899664 /nfs/dbraw/zinc/89/96/64/553899664.db2.gz UHHSIYDCEYIFNI-GOSISDBHSA-N 0 1 359.470 2.334 20 30 FEEDMN CN1CCN(c2ccc(NC(=O)Cc3c(F)cccc3C#N)nc2)CC1 ZINC000506343040 561696009 /nfs/dbraw/zinc/69/60/09/561696009.db2.gz VYQFLMKOIDVELW-UHFFFAOYSA-N 0 1 353.401 2.025 20 30 FEEDMN CCc1ccc(OCC(=O)NC2CCN([C@H]3CCN(C)C3=O)CC2)cc1 ZINC000329204889 553901540 /nfs/dbraw/zinc/90/15/40/553901540.db2.gz XTEXCTDPYSKMCS-SFHVURJKSA-N 0 1 359.470 2.279 20 30 FEEDMN CN(CC12CC3CC(CC(C3)C1)C2)C(=O)N[C@H]1COC[C@H]1n1ccnn1 ZINC000329428827 553945222 /nfs/dbraw/zinc/94/52/22/553945222.db2.gz HCCWZDAFDRHQBC-NLHLPJCGSA-N 0 1 359.474 2.280 20 30 FEEDMN O=C(N[C@@H]1CCc2nc[nH]c2C1)N[C@@H]1CCCN(C2CCCCC2)C1=O ZINC000329503582 553958974 /nfs/dbraw/zinc/95/89/74/553958974.db2.gz ASGVMDPZHKOMBP-CZUORRHYSA-N 0 1 359.474 2.094 20 30 FEEDMN COCCn1cc2c(n1)[C@H](NC(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1)CCC2 ZINC000329598498 553974335 /nfs/dbraw/zinc/97/43/35/553974335.db2.gz WKZJHOGHWHCBOW-NVXWUHKLSA-N 0 1 363.506 2.095 20 30 FEEDMN Cc1cnn(C[C@@H]2CN(C([O-])=[NH+]CC[C@@H]3CCO[C@@H](C)C3)CCO2)c1 ZINC000329644115 553981316 /nfs/dbraw/zinc/98/13/16/553981316.db2.gz JAUYNRLNBDZBQS-BBWFWOEESA-N 0 1 350.463 2.012 20 30 FEEDMN O=C(CN1CCC[C@@H](C(=O)N2CCCC2)C1)NC[C@H]1Cc2ccccc2O1 ZINC000329648263 553982146 /nfs/dbraw/zinc/98/21/46/553982146.db2.gz FBTKHWHMLUJRHO-QZTJIDSGSA-N 0 1 371.481 2.281 20 30 FEEDMN O=C(N[C@@H]1CCOC2(CCOCC2)C1)N1CC[C@H](n2cc(Cl)cn2)C1 ZINC000329655250 553983183 /nfs/dbraw/zinc/98/31/83/553983183.db2.gz MARBCKFMOYQRKL-CABCVRRESA-N 0 1 368.865 2.426 20 30 FEEDMN CC[C@H](C)[C@H](NC(=O)N1CCCC1)C(=O)N1CCN2CCCC[C@H]2C1 ZINC000329723015 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COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1C[C@H](C)C[C@@H](CO)C1 ZINC000420950824 559513449 /nfs/dbraw/zinc/51/34/49/559513449.db2.gz WQPFRBODLDJKEH-IXDOHACOSA-N 0 1 359.470 2.281 20 30 FEEDMN COC(=O)[C@H]1CCc2sc(NC(=O)c3ccc(C#N)c(O)c3)nc2C1 ZINC000421957271 559558190 /nfs/dbraw/zinc/55/81/90/559558190.db2.gz HLOKURGLDSSFCH-JTQLQIEISA-N 0 1 357.391 2.251 20 30 FEEDMN C=CCn1cc(CNC(=O)[C@@H](C)N2CCC(Cc3ccccc3)CC2)nn1 ZINC000424909453 559679793 /nfs/dbraw/zinc/67/97/93/559679793.db2.gz UEUULQYYVZEEKQ-QGZVFWFLSA-N 0 1 367.497 2.424 20 30 FEEDMN C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000425382734 559699042 /nfs/dbraw/zinc/69/90/42/559699042.db2.gz JFVQAFQDFCSQRA-AWEZNQCLSA-N 0 1 365.437 2.207 20 30 FEEDMN CCOC(=O)c1cn(C)[nH]c1=NC(=O)N(C)[C@@H](C)c1cccc(C#N)c1 ZINC000425664316 559713656 /nfs/dbraw/zinc/71/36/56/559713656.db2.gz RTJPVSGYQMKKQM-LBPRGKRZSA-N 0 1 355.398 2.693 20 30 FEEDMN CC[C@@]1(O)CCN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000425918227 559725198 /nfs/dbraw/zinc/72/51/98/559725198.db2.gz LAEGLFUKADQGGQ-QGZVFWFLSA-N 0 1 354.372 2.020 20 30 FEEDMN COC(=O)c1cc(OC)ccc1NS(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000427205890 559750419 /nfs/dbraw/zinc/75/04/19/559750419.db2.gz YEBOGQNWIXSFQH-UHFFFAOYSA-N 0 1 364.354 2.293 20 30 FEEDMN Cc1nc(-c2cccc(NS(=O)(=O)c3cnc(C)c(C#N)c3)c2)no1 ZINC000427213494 559750643 /nfs/dbraw/zinc/75/06/43/559750643.db2.gz RTBSMNIMXCIOGS-UHFFFAOYSA-N 0 1 355.379 2.421 20 30 FEEDMN Cc1ncc(S(=O)(=O)Nc2cccc(-c3nccn3C)c2)cc1C#N ZINC000427744335 559761246 /nfs/dbraw/zinc/76/12/46/559761246.db2.gz AJQQXTHWACSYRH-UHFFFAOYSA-N 0 1 353.407 2.463 20 30 FEEDMN Cc1ccc(OC[C@@H](O)CN2CC[C@@H](Oc3ccc(C#N)cn3)C2)c(C)c1 ZINC000428771056 559782841 /nfs/dbraw/zinc/78/28/41/559782841.db2.gz HGDJZWAMWBYFQJ-RBUKOAKNSA-N 0 1 367.449 2.463 20 30 FEEDMN N#Cc1ccc(O[C@H]2CCN(CCOc3ccc([N+](=O)[O-])cc3)C2)nc1 ZINC000428804110 559783630 /nfs/dbraw/zinc/78/36/30/559783630.db2.gz GUNYKJKOUYNFAL-KRWDZBQOSA-N 0 1 354.366 2.394 20 30 FEEDMN CCN(C[C@@H](C)C#N)C(=O)C(=O)Nc1cccc2c1OCC[C@H]2N(C)C ZINC000434995391 559913863 /nfs/dbraw/zinc/91/38/63/559913863.db2.gz ONLCXHVCEFVPAZ-XJKSGUPXSA-N 0 1 358.442 2.018 20 30 FEEDMN CCN(C[C@H](C)C#N)C(=O)C(=O)Nc1cccc2c1OCC[C@@H]2N(C)C ZINC000434995389 559913936 /nfs/dbraw/zinc/91/39/36/559913936.db2.gz ONLCXHVCEFVPAZ-CJNGLKHVSA-N 0 1 358.442 2.018 20 30 FEEDMN C[C@@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1O)c1ccc(C#N)cc1 ZINC000436696809 559949121 /nfs/dbraw/zinc/94/91/21/559949121.db2.gz JINNUBKTGPXSIF-GFCCVEGCSA-N 0 1 373.434 2.005 20 30 FEEDMN COC(=O)c1cccc(NS(=O)(=O)c2ccc(C#N)c(Cl)c2)c1N ZINC000439258693 559991066 /nfs/dbraw/zinc/99/10/66/559991066.db2.gz OGQVDKUIZVNLKR-UHFFFAOYSA-N 0 1 365.798 2.381 20 30 FEEDMN C=CCNC(=O)NC(=O)[C@H](C)N[C@H](Cn1ccnc1)c1ccc(C)cc1C ZINC000441388534 560031075 /nfs/dbraw/zinc/03/10/75/560031075.db2.gz RZOAWLDGNMUNCZ-FUHWJXTLSA-N 0 1 369.469 2.231 20 30 FEEDMN CCCNS(=O)(=O)c1ccc(NC(=O)c2ccc(C#N)c(O)c2)cc1 ZINC000442873290 560060478 /nfs/dbraw/zinc/06/04/78/560060478.db2.gz OQZQZPOZBHOYGC-UHFFFAOYSA-N 0 1 359.407 2.204 20 30 FEEDMN CCN(C[C@H](C)C#N)C(=O)CN(Cc1ccccc1)C[C@@]1(O)CCO[C@H]1C ZINC000447922454 560172974 /nfs/dbraw/zinc/17/29/74/560172974.db2.gz AOJDJVYNKJRSBK-LQWHRVPQSA-N 0 1 373.497 2.037 20 30 FEEDMN CN1CCCC(C)(C)[C@@H]1CNS(=O)(=O)Cc1cc(C#N)ccc1F ZINC000447927569 560173424 /nfs/dbraw/zinc/17/34/24/560173424.db2.gz BNVMSQZQXLIAFD-INIZCTEOSA-N 0 1 353.463 2.237 20 30 FEEDMN COCCN1CCCN(C(=O)c2cccc(C#N)c2Br)CC1 ZINC000448799934 560200065 /nfs/dbraw/zinc/20/00/65/560200065.db2.gz YTXIJSSRBXYLRH-UHFFFAOYSA-N 0 1 366.259 2.115 20 30 FEEDMN C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCCC[C@H]1c1n[nH]c(=O)[n-]1 ZINC000450987603 560281324 /nfs/dbraw/zinc/28/13/24/560281324.db2.gz LXUNMQPUSDMUSB-CVEARBPZSA-N 0 1 358.442 2.206 20 30 FEEDMN C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCCC[C@H]1c1n[nH]c(=O)[n-]1 ZINC000450987603 560281325 /nfs/dbraw/zinc/28/13/25/560281325.db2.gz LXUNMQPUSDMUSB-CVEARBPZSA-N 0 1 358.442 2.206 20 30 FEEDMN C[C@H]1CN(Cc2ccccc2)CCN(S(=O)(=O)CC2(CC#N)CC2)C1 ZINC000451921636 560337543 /nfs/dbraw/zinc/33/75/43/560337543.db2.gz CONDLMRZQPJYBX-KRWDZBQOSA-N 0 1 361.511 2.464 20 30 FEEDMN Cc1cc(C#N)cc(NC(=O)C(=O)N[C@@H](CN(C)C)c2ccccc2)c1 ZINC000453593976 560390307 /nfs/dbraw/zinc/39/03/07/560390307.db2.gz UCVOVYBQVJNSSY-SFHVURJKSA-N 0 1 350.422 2.224 20 30 FEEDMN Cc1cc(C#N)cc(NC(=O)C(=O)NCCN(C)Cc2ccccc2)c1 ZINC000453614853 560391250 /nfs/dbraw/zinc/39/12/50/560391250.db2.gz FCTRKDNXFUKKHZ-UHFFFAOYSA-N 0 1 350.422 2.053 20 30 FEEDMN CN(CCNC(=O)C(=O)Nc1cccc(CC#N)c1)Cc1ccc(F)cc1 ZINC000453702003 560397984 /nfs/dbraw/zinc/39/79/84/560397984.db2.gz UIFWNLOXDAQEPH-UHFFFAOYSA-N 0 1 368.412 2.078 20 30 FEEDMN C=C[C@@H]1OCCC[C@H]1NC(=O)NC[C@H](C(CC)CC)N1CCOCC1 ZINC000454231574 560435668 /nfs/dbraw/zinc/43/56/68/560435668.db2.gz UHXBWFAXGWFOOE-KURKYZTESA-N 0 1 353.507 2.156 20 30 FEEDMN Cc1cc(C(=O)N2CCN(C(=O)Nc3ccc(F)c(C#N)c3)[C@H](C)C2)n[nH]1 ZINC000454707121 560455088 /nfs/dbraw/zinc/45/50/88/560455088.db2.gz KLHIEEAHMSIJOP-GFCCVEGCSA-N 0 1 370.388 2.107 20 30 FEEDMN Cc1cc(C(=O)N2CCN(C(=O)Nc3ccc(C#N)c(F)c3)[C@H](C)C2)n[nH]1 ZINC000455474275 560483745 /nfs/dbraw/zinc/48/37/45/560483745.db2.gz RBGNUYAQTOIRGB-GFCCVEGCSA-N 0 1 370.388 2.107 20 30 FEEDMN C[C@H](O)CN1CCN(C(=O)Nc2ccc(CC#N)cc2Cl)[C@H](C)C1 ZINC000455740796 560493486 /nfs/dbraw/zinc/49/34/86/560493486.db2.gz YQPNTUWSLBZNRU-OLZOCXBDSA-N 0 1 350.850 2.325 20 30 FEEDMN CCN1CCN(CC(C)(C)NC(=O)Nc2cnc(C#N)c(Cl)c2)CC1 ZINC000455759643 560494062 /nfs/dbraw/zinc/49/40/62/560494062.db2.gz LMTHXLIXWSTSFR-UHFFFAOYSA-N 0 1 364.881 2.144 20 30 FEEDMN CCNS(=O)(=O)c1cccc(CNCc2ccc(C#N)c(OC)c2)c1 ZINC000459653280 560700314 /nfs/dbraw/zinc/70/03/14/560700314.db2.gz XUHOBXKFCMEFBH-UHFFFAOYSA-N 0 1 359.451 2.155 20 30 FEEDMN CC[C@@H]1CCCC[N@H+]1CC[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000467162778 560905277 /nfs/dbraw/zinc/90/52/77/560905277.db2.gz ZUZMKXSZWBGILI-CYBMUJFWSA-N 0 1 357.426 2.379 20 30 FEEDMN COCCN1CCC[C@@H]1CNC(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000469328765 560952656 /nfs/dbraw/zinc/95/26/56/560952656.db2.gz PFQUJWKAYGWVSX-MRXNPFEDSA-N 0 1 354.410 2.054 20 30 FEEDMN C[C@@H](NC(=O)c1n[nH]c2ccccc21)C(=O)N[C@@H](C#N)c1ccc(F)cc1 ZINC000471673528 561010065 /nfs/dbraw/zinc/01/00/65/561010065.db2.gz HXAIJTUGGFPDJJ-BZNIZROVSA-N 0 1 365.368 2.201 20 30 FEEDMN N#Cc1ccc(CN2CCCN(C(=O)NCCOC(F)(F)F)CC2)cc1 ZINC000473533705 561052090 /nfs/dbraw/zinc/05/20/90/561052090.db2.gz PHGGTFCAGCZVKF-UHFFFAOYSA-N 0 1 370.375 2.312 20 30 FEEDMN Cn1cc(Nc2cccc(NS(=O)(=O)c3ccc(C#N)nc3)c2)cn1 ZINC000475743519 561104079 /nfs/dbraw/zinc/10/40/79/561104079.db2.gz HDTQQBXOFWAHER-UHFFFAOYSA-N 0 1 354.395 2.231 20 30 FEEDMN CN(C)CCN(Cc1ccco1)S(=O)(=O)CC1(C#N)CCCCC1 ZINC000476428875 561119233 /nfs/dbraw/zinc/11/92/33/561119233.db2.gz KZLVLUNWDOXYQD-UHFFFAOYSA-N 0 1 353.488 2.447 20 30 FEEDMN CO[C@@H](Cc1ccc(F)cc1)CN1CCN(c2nccnc2C#N)C[C@H]1C ZINC000528405164 562327240 /nfs/dbraw/zinc/32/72/40/562327240.db2.gz QIRMPOHPOGILOK-QAPCUYQASA-N 0 1 369.444 2.256 20 30 FEEDMN N#Cc1ccccc1OC[C@@H](O)CN1CC[C@@]2(C1)OCc1ccccc12 ZINC000528454154 562330322 /nfs/dbraw/zinc/33/03/22/562330322.db2.gz YCEDCTMVCRDLJK-RXVVDRJESA-N 0 1 350.418 2.429 20 30 FEEDMN Cn1nccc1C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](O)COc1ccccc1C#N ZINC000528489152 562331994 /nfs/dbraw/zinc/33/19/94/562331994.db2.gz HJRSBBOMGOAIAB-XVLXNVKGSA-N 0 1 366.465 2.442 20 30 FEEDMN N#Cc1ccc(-c2nnc(CN3CC4(CCOCC4)CC[C@H]3CO)o2)cc1 ZINC000528639421 562339649 /nfs/dbraw/zinc/33/96/49/562339649.db2.gz KMPHHPQFBHSDAY-KRWDZBQOSA-N 0 1 368.437 2.362 20 30 FEEDMN CC1(N2CCOCC2)CCN(C(=O)Nc2cnc(C#N)c(Cl)c2)CC1 ZINC000529107213 562360702 /nfs/dbraw/zinc/36/07/02/562360702.db2.gz ACOLVUQIXNUKAD-UHFFFAOYSA-N 0 1 363.849 2.325 20 30 FEEDMN CC(C)[C@H]1CNCCN1C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000529325807 562369500 /nfs/dbraw/zinc/36/95/00/562369500.db2.gz ZRTISTKZXTUENP-DAWZGUTISA-N 0 1 371.485 2.283 20 30 FEEDMN Cc1cc(NC(=O)CCN2CCN(c3ccccc3)CC2)n(CCC#N)n1 ZINC000531284858 562440544 /nfs/dbraw/zinc/44/05/44/562440544.db2.gz CHLCFZOEPPSMDC-UHFFFAOYSA-N 0 1 366.469 2.256 20 30 FEEDMN COC(=O)CC1(NS(=O)(=O)c2c(F)cc(C#N)cc2F)CCCCC1 ZINC000531556098 562449831 /nfs/dbraw/zinc/44/98/31/562449831.db2.gz XVXNLDQPXBJAQP-UHFFFAOYSA-N 0 1 372.393 2.381 20 30 FEEDMN C=C(C)[C@H](CC(=O)N[C@H]1CN(Cc2ccccc2)CC[C@@H]1CO)OCC ZINC000534185278 562527002 /nfs/dbraw/zinc/52/70/02/562527002.db2.gz LDUVQCRPYMSITJ-AABGKKOBSA-N 0 1 360.498 2.357 20 30 FEEDMN CC(C)c1nc([C@H](C)NS(=O)(=O)c2cccc(Cl)c2C#N)n[nH]1 ZINC000534243118 562528336 /nfs/dbraw/zinc/52/83/36/562528336.db2.gz REXZQALFYLKQCN-VIFPVBQESA-N 0 1 353.835 2.493 20 30 FEEDMN CCOc1ccc(N(CCC#N)C(=O)CN(C)C[C@H]2CCC[C@H]2O)cc1 ZINC000535118608 562551477 /nfs/dbraw/zinc/55/14/77/562551477.db2.gz UYPCCNSSXKUPQE-VQIMIIECSA-N 0 1 359.470 2.425 20 30 FEEDMN CSc1[n-]c(=O)c(C(=O)N[C@H]2C[N@@H+](C)C[C@H]2c2ccccc2)cc1C#N ZINC000540901623 562596130 /nfs/dbraw/zinc/59/61/30/562596130.db2.gz NSQVIEGTBTZYQG-HOTGVXAUSA-N 0 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ZINC000126567165 543944031 /nfs/dbraw/zinc/94/40/31/543944031.db2.gz HXPMLPMVGQLJBE-UHFFFAOYSA-N 0 1 358.419 2.249 20 30 FEEDMN N#C[C@@H]1CN(C(=O)c2cccc(-c3nnc[nH]3)c2)CCN1Cc1ccccc1 ZINC000133714000 544280857 /nfs/dbraw/zinc/28/08/57/544280857.db2.gz BOYKCWHKZHPITE-LJQANCHMSA-N 0 1 372.432 2.322 20 30 FEEDMN CCN(CC)[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1F)c1ccco1 ZINC000136117252 544366807 /nfs/dbraw/zinc/36/68/07/544366807.db2.gz FGSZSQBQSNYBBQ-INIZCTEOSA-N 0 1 372.400 2.428 20 30 FEEDMN C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccccc2SCCC#N)CN1C1CC1 ZINC000151866927 544590391 /nfs/dbraw/zinc/59/03/91/544590391.db2.gz WSKNANWDTFBUAX-KBPBESRZSA-N 0 1 372.494 2.372 20 30 FEEDMN Cc1ccc(C#N)c(N2CCC[C@H](C(=O)Nc3ccc4[nH]nnc4c3)C2)n1 ZINC000153123490 544736001 /nfs/dbraw/zinc/73/60/01/544736001.db2.gz GPSVDZJERQCTFU-AWEZNQCLSA-N 0 1 361.409 2.388 20 30 FEEDMN CN1CCN(Cc2cccc(NC(=O)CNc3cccc(C#N)c3)c2)CC1 ZINC000154911848 544965352 /nfs/dbraw/zinc/96/53/52/544965352.db2.gz UPPMAYGWACLVOW-UHFFFAOYSA-N 0 1 363.465 2.356 20 30 FEEDMN N#Cc1ccc(Cn2cnc(NC(=O)c3cccc(-c4nnc[nH]4)c3)n2)cc1 ZINC000155212944 545001918 /nfs/dbraw/zinc/00/19/18/545001918.db2.gz WXPJIPKDOXQKQA-UHFFFAOYSA-N 0 1 370.376 2.235 20 30 FEEDMN C=C(C)CN(Cc1ccc(CO)o1)C(=O)C(C)(C)NC(=O)C(F)(F)F ZINC000804460769 674288263 /nfs/dbraw/zinc/28/82/63/674288263.db2.gz OBDBCAWKYMMMBJ-UHFFFAOYSA-N 0 1 362.348 2.134 20 30 FEEDMN Cc1cc(C)n2c(CN[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)cnc2n1 ZINC000192244845 328308608 /nfs/dbraw/zinc/30/86/08/328308608.db2.gz GJKKAYPTSAANDU-IBGZPJMESA-N 0 1 374.448 2.109 20 30 FEEDMN CC(C)Cn1cc(CN[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cn1 ZINC000192245128 328308846 /nfs/dbraw/zinc/30/88/46/328308846.db2.gz MLXVJHZMMPNYNE-LJQANCHMSA-N 0 1 351.454 2.301 20 30 FEEDMN CC(C)(C)n1cc(CN[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cn1 ZINC000192244562 328308883 /nfs/dbraw/zinc/30/88/83/328308883.db2.gz OXMPUNRCXXPMHG-SFHVURJKSA-N 0 1 351.454 2.400 20 30 FEEDMN COC(=O)[C@H](C)CN(C1CC1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192565716 328326261 /nfs/dbraw/zinc/32/62/61/328326261.db2.gz UGDHXXAOTAQKMF-RDTXWAMCSA-N 0 1 355.438 2.327 20 30 FEEDMN N#Cc1ccc(N2CCC[C@H](N3CCS[C@H]4COCC[C@@H]43)C2=O)cc1 ZINC000192626152 328329271 /nfs/dbraw/zinc/32/92/71/328329271.db2.gz JUOLYFLFSUAARE-BZSNNMDCSA-N 0 1 357.479 2.260 20 30 FEEDMN N#Cc1ccccc1N1CCN(CCC(=O)Nc2cc(N)ccc2F)CC1 ZINC000083170098 325213936 /nfs/dbraw/zinc/21/39/36/325213936.db2.gz LXWFLXLNOYNGTL-UHFFFAOYSA-N 0 1 367.428 2.430 20 30 FEEDMN CN(C)CCN(Cc1ccco1)S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000088793891 325302801 /nfs/dbraw/zinc/30/28/01/325302801.db2.gz PBPKJECFVQGYFP-UHFFFAOYSA-N 0 1 351.403 2.043 20 30 FEEDMN COc1cc(C#N)ccc1CN1CCC(C(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000120617584 326273279 /nfs/dbraw/zinc/27/32/79/326273279.db2.gz ALBFKCMLLBEHOI-IYBDPMFKSA-N 0 1 371.481 2.415 20 30 FEEDMN CC(C)(C)CNC(=O)C(C)(C)NS(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000120645913 326275378 /nfs/dbraw/zinc/27/53/78/326275378.db2.gz CYVRWIMNSVOURZ-UHFFFAOYSA-N 0 1 373.425 2.056 20 30 FEEDMN COc1ccc(OC)c(CCCN[C@@H](C(N)=O)c2ccc(C#N)cc2)c1 ZINC000135116070 326636493 /nfs/dbraw/zinc/63/64/93/326636493.db2.gz SCYRQQVBBNEHOW-LJQANCHMSA-N 0 1 353.422 2.324 20 30 FEEDMN N#Cc1cc(F)c(S(=O)(=O)N[C@H](CCO)C2CCCCC2)c(F)c1 ZINC000162006955 327014597 /nfs/dbraw/zinc/01/45/97/327014597.db2.gz OVIAXYUXJFGXGH-OAHLLOKOSA-N 0 1 358.410 2.446 20 30 FEEDMN CS(=O)(=O)Cc1cccc(CNCc2cnc3ccc(C#N)cn23)c1 ZINC000172339456 327196632 /nfs/dbraw/zinc/19/66/32/327196632.db2.gz VZPZZXJRHNCYNA-UHFFFAOYSA-N 0 1 354.435 2.040 20 30 FEEDMN CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CC[C@H](CN2CCOCC2)C1 ZINC000174178572 327310990 /nfs/dbraw/zinc/31/09/90/327310990.db2.gz FHMYXBQSBLLGHV-XLIONFOSSA-N 0 1 371.481 2.142 20 30 FEEDMN Cc1cccc(NC(=O)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)c1C#N ZINC000266549020 329235174 /nfs/dbraw/zinc/23/51/74/329235174.db2.gz KBZUFDMJFYLNIJ-QGZVFWFLSA-N 0 1 362.433 2.196 20 30 FEEDMN COc1cc(CN[C@@H](C)c2ccc(C#N)c(F)c2)ccc1OCC(N)=O ZINC000271947693 329739475 /nfs/dbraw/zinc/73/94/75/329739475.db2.gz NTAFIDMDXFUWIB-LBPRGKRZSA-N 0 1 357.385 2.421 20 30 FEEDMN CC(=O)N(CC(=O)[O-])[C@@H]1CCC[N@@H+](CC(=O)NCC2CCCCC2)CC1 ZINC000328607515 519460887 /nfs/dbraw/zinc/46/08/87/519460887.db2.gz WDQJZEYBEOAENO-QGZVFWFLSA-N 0 1 367.490 2.311 20 30 FEEDMN CN(C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1)C(=O)NC[C@@]1(C)CCCO1 ZINC000328622549 523041927 /nfs/dbraw/zinc/04/19/27/523041927.db2.gz ILSURVANRLFTKG-KVSKMBFKSA-N 0 1 363.506 2.218 20 30 FEEDMN CN(C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1)C(=O)NCc1cscn1 ZINC000328617197 523042892 /nfs/dbraw/zinc/04/28/92/523042892.db2.gz CLLVFDLTYWWBJM-XJKSGUPXSA-N 0 1 362.503 2.306 20 30 FEEDMN C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1ccc(O)c(Cl)c1 ZINC000155559460 545542849 /nfs/dbraw/zinc/54/28/49/545542849.db2.gz KFKVIUDECZZKFC-LLVKDONJSA-N 0 1 357.801 2.058 20 30 FEEDMN C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCC(Cn2ccnn2)CC1 ZINC000155635079 545551921 /nfs/dbraw/zinc/55/19/21/545551921.db2.gz UZAVRZIKJOTYIF-GNZRSQJKSA-N 0 1 372.517 2.309 20 30 FEEDMN Cc1nnc(SCC(=O)N[C@@H](C#N)c2cccc(Br)c2)[nH]1 ZINC000174433171 546296668 /nfs/dbraw/zinc/29/66/68/546296668.db2.gz NBOKEACPDBKUNS-NSHDSACASA-N 0 1 366.244 2.349 20 30 FEEDMN Cc1n[nH]c(SCC(=O)N[C@@H](C#N)c2cccc(Br)c2)n1 ZINC000174433171 546296670 /nfs/dbraw/zinc/29/66/70/546296670.db2.gz NBOKEACPDBKUNS-NSHDSACASA-N 0 1 366.244 2.349 20 30 FEEDMN Cc1nnc(SCC(=O)NCC#Cc2ccc(C(F)(F)F)cc2)[nH]1 ZINC000175718109 546338751 /nfs/dbraw/zinc/33/87/51/546338751.db2.gz PDGDWOPHNMOXMF-UHFFFAOYSA-N 0 1 354.357 2.392 20 30 FEEDMN Cc1n[nH]c(SCC(=O)NCC#Cc2ccc(C(F)(F)F)cc2)n1 ZINC000175718109 546338755 /nfs/dbraw/zinc/33/87/55/546338755.db2.gz PDGDWOPHNMOXMF-UHFFFAOYSA-N 0 1 354.357 2.392 20 30 FEEDMN N=C(NOC(=O)CCCSc1nc(C2CC2)n[nH]1)c1cccs1 ZINC000177405490 546611240 /nfs/dbraw/zinc/61/12/40/546611240.db2.gz RPJYTWSWMPUIRG-UHFFFAOYSA-N 0 1 351.457 2.480 20 30 FEEDMN N=C(NOC(=O)CCCSc1n[nH]c(C2CC2)n1)c1cccs1 ZINC000177405490 546611245 /nfs/dbraw/zinc/61/12/45/546611245.db2.gz RPJYTWSWMPUIRG-UHFFFAOYSA-N 0 1 351.457 2.480 20 30 FEEDMN N#Cc1ccc(S(=O)(=O)N2CCN3CCC[C@@H]3C2)cc1C(F)(F)F ZINC000177657550 546661882 /nfs/dbraw/zinc/66/18/82/546661882.db2.gz WMTNFIRGWMNUQZ-GFCCVEGCSA-N 0 1 359.373 2.046 20 30 FEEDMN C=CCC[C@@H](O)CN(CC)CC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000178026584 546725257 /nfs/dbraw/zinc/72/52/57/546725257.db2.gz IRPOECBYUVRUMP-LJQANCHMSA-N 0 1 361.486 2.111 20 30 FEEDMN CN(Cc1ccco1)C(=O)CO/N=C/c1ccc(N2CCOCC2)cc1 ZINC000178123644 546742665 /nfs/dbraw/zinc/74/26/65/546742665.db2.gz KGOYQYWUAWDIAE-DEDYPNTBSA-N 0 1 357.410 2.125 20 30 FEEDMN CC[C@@H]1Oc2cc([C@@H](C)NCC(=O)N[C@@](C)(C#N)C3CC3)ccc2NC1=O ZINC000180006591 547038380 /nfs/dbraw/zinc/03/83/80/547038380.db2.gz POAMTQIIUARFOX-QROBEVECSA-N 0 1 370.453 2.255 20 30 FEEDMN COc1cc(C#N)ccc1OCCN[C@@H](CS(C)(=O)=O)c1ccccc1 ZINC000181804434 547384110 /nfs/dbraw/zinc/38/41/10/547384110.db2.gz LPHPFARBBKDNKM-KRWDZBQOSA-N 0 1 374.462 2.321 20 30 FEEDMN CC(=O)N1CCN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)C(C)(C)C1 ZINC000182177476 547448866 /nfs/dbraw/zinc/44/88/66/547448866.db2.gz KFVCAUAYPIXPMO-UHFFFAOYSA-N 0 1 362.861 2.483 20 30 FEEDMN COc1ccc([C@@H](CCO)NCCS(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000182385030 547482873 /nfs/dbraw/zinc/48/28/73/547482873.db2.gz NPEJLEURLQXXOD-LJQANCHMSA-N 0 1 374.462 2.054 20 30 FEEDMN CCOC(=O)[C@@H](NC(=O)C(C)C#N)c1ccc(OC)c(Br)c1 ZINC000484368765 561296940 /nfs/dbraw/zinc/29/69/40/561296940.db2.gz LLGATNFKMIKMBM-ZANVPECISA-N 0 1 369.215 2.338 20 30 FEEDMN CNC(=O)[C@@H](NCC(=O)Nc1ccccc1S[C@H](C)CC#N)C(C)C ZINC000183645407 547694356 /nfs/dbraw/zinc/69/43/56/547694356.db2.gz QPPABTKRKFOPRA-DYVFJYSZSA-N 0 1 362.499 2.380 20 30 FEEDMN CC[N@@H+](CCO)CCNC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000184002640 547752110 /nfs/dbraw/zinc/75/21/10/547752110.db2.gz BHJLUTDNNFWLSP-UHFFFAOYSA-N 0 1 353.422 2.395 20 30 FEEDMN COc1ccc(C#N)cc1NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CC(C)C ZINC000486001990 561334751 /nfs/dbraw/zinc/33/47/51/561334751.db2.gz IIEXOWGVAQPLIM-INIZCTEOSA-N 0 1 369.425 2.002 20 30 FEEDMN Cc1nnnn1-c1cccc(NS(=O)(=O)c2cc(C#N)ccc2Cl)c1 ZINC000186943963 548225070 /nfs/dbraw/zinc/22/50/70/548225070.db2.gz OOXYMBUPPXFWAP-UHFFFAOYSA-N 0 1 374.813 2.297 20 30 FEEDMN N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCCC3(CC3)C2)CC1 ZINC000186989391 548235491 /nfs/dbraw/zinc/23/54/91/548235491.db2.gz JJIXRAANBLXJGF-LJQANCHMSA-N 0 1 370.472 2.411 20 30 FEEDMN CCN(C[C@H](C)C#N)C(=O)C(=O)Nc1ccccc1CN1CCSCC1 ZINC000189113959 548295520 /nfs/dbraw/zinc/29/55/20/548295520.db2.gz ADPINGSFZHVLTE-OAHLLOKOSA-N 0 1 374.510 2.182 20 30 FEEDMN CCO[C@H]1C[C@@](CO)(NCC(=O)N(CCC#N)c2ccccc2)C1(C)C ZINC000189994771 548314966 /nfs/dbraw/zinc/31/49/66/548314966.db2.gz VBAQEWOGKASLNA-PXNSSMCTSA-N 0 1 359.470 2.089 20 30 FEEDMN C=CCN(C(=O)c1cc(-c2ccc(C)cc2)[nH]n1)[C@@H]1CCS(=O)(=O)C1 ZINC000193885249 548400989 /nfs/dbraw/zinc/40/09/89/548400989.db2.gz TTYGTRWVVBSIBW-OAHLLOKOSA-N 0 1 359.451 2.200 20 30 FEEDMN N#Cc1ccc(CC(=O)NCCN2CCN(Cc3ccccc3)CC2)cc1 ZINC000194714751 548519504 /nfs/dbraw/zinc/51/95/04/548519504.db2.gz AATUOJIXRUIKTE-UHFFFAOYSA-N 0 1 362.477 2.035 20 30 FEEDMN COc1cc(CN[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)ccc1O ZINC000195003571 548563074 /nfs/dbraw/zinc/56/30/74/548563074.db2.gz YWBJEYXIAIINDZ-QGZVFWFLSA-N 0 1 351.406 2.163 20 30 FEEDMN C=CCn1cccc1C(=O)NCCN1CCN(Cc2ccccc2)CC1 ZINC000488485363 561390550 /nfs/dbraw/zinc/39/05/50/561390550.db2.gz MEQCDUOJESNQAQ-UHFFFAOYSA-N 0 1 352.482 2.222 20 30 FEEDMN C=CCNC(=O)NC(=O)[C@H](C)N1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000246509463 549150331 /nfs/dbraw/zinc/15/03/31/549150331.db2.gz ICQJBCNRXOTPSD-IAOVAPTHSA-N 0 1 363.433 2.114 20 30 FEEDMN CN(C)[C@@H](CNS(=O)(=O)c1ccc(F)c(C#N)c1)Cc1ccccc1 ZINC000488965731 561400544 /nfs/dbraw/zinc/40/05/44/561400544.db2.gz AEPGGTJWYWKVFO-MRXNPFEDSA-N 0 1 361.442 2.149 20 30 FEEDMN CN(C)[C@@H](CNS(=O)(=O)c1ccc(C#N)c(F)c1)Cc1ccccc1 ZINC000489014490 561401587 /nfs/dbraw/zinc/40/15/87/561401587.db2.gz ALXAPEXLFQOUOL-MRXNPFEDSA-N 0 1 361.442 2.149 20 30 FEEDMN 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