smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCOc1ccc(/C=C/C(=O)N[C@]2(C(=O)[O-])CCc3ccccc32)cc1OC ZINC000737532795 939056398 /nfs/dbraw/zinc/05/63/98/939056398.db2.gz IEHDGBXLMZUHHW-BDTMADQZSA-N -1 0 393.439 3.316 20 30 GGEDRM C=CCOc1ccc(/C=C/C(=O)NC2(C(=O)[O-])Cc3ccccc3C2)cc1OC ZINC000766945273 939076499 /nfs/dbraw/zinc/07/64/99/939076499.db2.gz QTVHMAJNJUDJQG-PKNBQFBNSA-N -1 0 393.439 3.012 20 30 GGEDRM C=CCOc1ccc(/C=C\C(=O)N[C@@](C)(C(=O)[O-])c2ccccc2)cc1OC ZINC000766961744 939082578 /nfs/dbraw/zinc/08/25/78/939082578.db2.gz IZOVMYHCCCMQAM-VZNHHXIYSA-N -1 0 381.428 3.389 20 30 GGEDRM C=CCOc1ccc(/C=C/C(=O)N[C@](C)(C(=O)[O-])c2ccccc2)cc1OC ZINC000766961742 939082639 /nfs/dbraw/zinc/08/26/39/939082639.db2.gz IZOVMYHCCCMQAM-SDNYCIMKSA-N -1 0 381.428 3.389 20 30 GGEDRM C=CCOc1ccc(/C=C\C(=O)N[C@](C)(C(=O)[O-])c2ccccc2)cc1OC ZINC000766961745 939082657 /nfs/dbraw/zinc/08/26/57/939082657.db2.gz IZOVMYHCCCMQAM-YLQXFRFJSA-N -1 0 381.428 3.389 20 30 GGEDRM C[C@@](NC(=O)Nc1cccc(C#N)c1)(C(=O)[O-])c1cccc(Br)c1 ZINC000788314416 939147901 /nfs/dbraw/zinc/14/79/01/939147901.db2.gz AOGAGMDTZYJMNU-KRWDZBQOSA-N -1 0 388.221 3.442 20 30 GGEDRM C=CCOc1ccccc1CNC(=O)N[C@@H](C(=O)[O-])c1cc(F)ccc1F ZINC000797721315 939183189 /nfs/dbraw/zinc/18/31/89/939183189.db2.gz DDIVRFNVKMXNSP-QGZVFWFLSA-N -1 0 376.359 3.155 20 30 GGEDRM C=C(Br)CNC(=O)N[C@@](CC)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000837297128 939227005 /nfs/dbraw/zinc/22/70/05/939227005.db2.gz WIPJUWFHEHRLEM-CQSZACIVSA-N -1 0 375.650 3.238 20 30 GGEDRM C=CCc1cc(CNC(=O)N[C@@H](C(=O)[O-])C2CCCCC2)cc(OC)c1OC ZINC000516801623 939245793 /nfs/dbraw/zinc/24/57/93/939245793.db2.gz AEOSGHBFOWSYAH-GOSISDBHSA-N -1 0 390.480 3.265 20 30 GGEDRM C=CCCCCNC(=O)N[C@H](C(=O)[O-])c1c(C)nn(-c2ccc(F)cc2)c1C ZINC000556709200 939308156 /nfs/dbraw/zinc/30/81/56/939308156.db2.gz MNHOFFFDTQGPAE-SFHVURJKSA-N -1 0 388.443 3.409 20 30 GGEDRM C=C(C)COc1cccc(NC(=O)N[C@@H](C(=O)[O-])c2ccc(OC)c(O)c2)c1 ZINC000559586030 939317244 /nfs/dbraw/zinc/31/72/44/939317244.db2.gz OFNOTBPLWUXLKK-GOSISDBHSA-N -1 0 386.404 3.303 20 30 GGEDRM C=CCc1cc(CNC(=O)N[C@@H](C(=O)[O-])c2ccccc2)cc(OC)c1OC ZINC000561365231 939318819 /nfs/dbraw/zinc/31/88/19/939318819.db2.gz HRSUCXWVDKTTGH-GOSISDBHSA-N -1 0 384.432 3.057 20 30 GGEDRM C=CCc1cc(CNC(=O)N[C@H](C(=O)[O-])c2ccccc2)cc(OC)c1OC ZINC000576063961 939736629 /nfs/dbraw/zinc/73/66/29/939736629.db2.gz HRSUCXWVDKTTGH-SFHVURJKSA-N -1 0 384.432 3.057 20 30 GGEDRM CCO[C@H]1C[C@](NC(=O)c2ccc(C#Cc3ccccc3)cc2)(C(=O)[O-])C1(C)C ZINC000581110210 939776260 /nfs/dbraw/zinc/77/62/60/939776260.db2.gz FJBZIXBHWZARFC-RDPSFJRHSA-N -1 0 391.467 3.475 20 30 GGEDRM COc1ccc([C@@H](NC(=O)NCC2(C#N)CCCCC2)C(=O)[O-])cc1Cl ZINC000594691555 939801986 /nfs/dbraw/zinc/80/19/86/939801986.db2.gz VVVUGJPAISRHFO-OAHLLOKOSA-N -1 0 379.844 3.248 20 30 GGEDRM CC(C)(C)c1nc(-c2nnn[n-]2)c(N=NCc2cnc(-c3ccncc3)s2)o1 ZINC000819965442 945320469 /nfs/dbraw/zinc/32/04/69/945320469.db2.gz HENXIMKQAILLFA-UHFFFAOYSA-N -1 0 395.452 3.117 20 30 GGEDRM Cc1cc(Oc2ccccc2C#N)ncc1NC(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC001600292087 970794058 /nfs/dbraw/zinc/79/40/58/970794058.db2.gz OVJOGZUCNYOOHC-HXUWFJFHSA-N -1 0 380.404 3.383 20 30 GGEDRM N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC001601115129 970935915 /nfs/dbraw/zinc/93/59/15/970935915.db2.gz KNTBXALQXDWQDB-PMACEKPBSA-N -1 0 375.428 3.329 20 30 GGEDRM N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC001601115131 970936015 /nfs/dbraw/zinc/93/60/15/970936015.db2.gz KNTBXALQXDWQDB-VQTJNVASSA-N -1 0 375.428 3.329 20 30 GGEDRM O=C([O-])[C@H](c1ccccc1)N1CC[C@H](/N=C/c2c(O)ccc3ccccc32)C1=O ZINC001611361862 971009186 /nfs/dbraw/zinc/00/91/86/971009186.db2.gz KMGMEVUWVQAQJJ-DYRZRGRSSA-N -1 0 388.423 3.391 20 30 GGEDRM O=C([O-])[C@H](c1ccccc1)N1CC[C@@H](/N=C/c2c(O)ccc3ccccc32)C1=O ZINC001611361865 971009396 /nfs/dbraw/zinc/00/93/96/971009396.db2.gz KMGMEVUWVQAQJJ-UIVATEENSA-N -1 0 388.423 3.391 20 30 GGEDRM C#C[C@H](NC(=O)NC[C@H](CC(C)C)C(=O)[O-])c1ccc(Br)cc1 ZINC001602673604 971241891 /nfs/dbraw/zinc/24/18/91/971241891.db2.gz XDXHAVVFIPMFCU-ZFWWWQNUSA-N -1 0 381.270 3.170 20 30 GGEDRM C#CCN(CC(=O)[O-])C(=O)[C@H](Sc1ccc(F)c(F)c1)c1ccccc1 ZINC001602679162 971258290 /nfs/dbraw/zinc/25/82/90/971258290.db2.gz KRZUNGKUOSQCMY-GOSISDBHSA-N -1 0 375.396 3.345 20 30 GGEDRM C#CCN(CC(=O)[O-])C(=O)CCc1c2cc(F)ccc2[nH]c1-c1ccccc1 ZINC001602682343 971267571 /nfs/dbraw/zinc/26/75/71/971267571.db2.gz NQSNDHCNILTCDU-UHFFFAOYSA-N -1 0 378.403 3.453 20 30 GGEDRM C#CCN(CC)c1nnc(-c2cccc(-c3nn[nH]n3)c2)n1CC1(CCC)CC1 ZINC001573284001 946732184 /nfs/dbraw/zinc/73/21/84/946732184.db2.gz YYVMNPVYJBJVNZ-UHFFFAOYSA-N -1 0 390.495 3.165 20 30 GGEDRM C#CCN(CC(=O)[O-])C(=O)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 ZINC001602691239 971294433 /nfs/dbraw/zinc/29/44/33/971294433.db2.gz CSEHXGVRQGNWQS-UHFFFAOYSA-N -1 0 385.235 3.136 20 30 GGEDRM C#CCN(CC(=O)[O-])C(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1 ZINC001602692052 971299514 /nfs/dbraw/zinc/29/95/14/971299514.db2.gz CLQRMEZVPVPUKR-UHFFFAOYSA-N -1 0 377.322 3.004 20 30 GGEDRM C#CCN(CC(=O)[O-])C(=O)c1ccccc1-c1nc(-c2cccc(Cl)c2)no1 ZINC001602692019 971299636 /nfs/dbraw/zinc/29/96/36/971299636.db2.gz ASPMQKVJQKVOCQ-UHFFFAOYSA-N -1 0 395.802 3.217 20 30 GGEDRM C=C(C)[C@H](NC(=O)NC[C@H]1CCC2(CC(C(=O)[O-])C2)O1)c1ccc(F)c(F)c1 ZINC001602707015 971340429 /nfs/dbraw/zinc/34/04/29/971340429.db2.gz HJYRMQFBUILRFF-PYAWSDGHSA-N -1 0 394.418 3.294 20 30 GGEDRM C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001602710444 971351059 /nfs/dbraw/zinc/35/10/59/971351059.db2.gz WUEAVLQDKYPNIM-MOPGFXCFSA-N -1 0 384.432 3.173 20 30 GGEDRM C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001602710445 971351078 /nfs/dbraw/zinc/35/10/78/971351078.db2.gz WUEAVLQDKYPNIM-OALUTQOASA-N -1 0 384.432 3.173 20 30 GGEDRM C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001602710447 971351281 /nfs/dbraw/zinc/35/12/81/971351281.db2.gz WUEAVLQDKYPNIM-RBUKOAKNSA-N -1 0 384.432 3.173 20 30 GGEDRM C=C(Cl)CSc1nc(C)c(CC(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)s1 ZINC001602711995 971353032 /nfs/dbraw/zinc/35/30/32/971353032.db2.gz FFRNXLFOPNBSBE-CABZTGNLSA-N -1 0 388.942 3.408 20 30 GGEDRM C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC001602712413 971355154 /nfs/dbraw/zinc/35/51/54/971355154.db2.gz PRXYDQUJCBHNAG-KBPBESRZSA-N -1 0 388.892 3.268 20 30 GGEDRM C=C(Cl)CSc1nc(C)c(CC(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)s1 ZINC001602712422 971356459 /nfs/dbraw/zinc/35/64/59/971356459.db2.gz PYJSVIVETSELJN-SKDRFNHKSA-N -1 0 388.942 3.408 20 30 GGEDRM C=CCC[C@H](C(=O)N1C[C@@H](c2cnn(C)c2)C[C@H](C(=O)[O-])C1)c1ccccc1 ZINC001602718879 971378431 /nfs/dbraw/zinc/37/84/31/971378431.db2.gz DXDVENXVZFSYLK-BJLQDIEVSA-N -1 0 381.476 3.187 20 30 GGEDRM C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(CCC(=O)[O-])CC1 ZINC001602719126 971381981 /nfs/dbraw/zinc/38/19/81/971381981.db2.gz RGEJHGIKYICAJA-MRXNPFEDSA-N -1 0 382.501 3.339 20 30 GGEDRM C=CCN(C(=O)c1cccc(C(=O)[O-])c1)[C@H](Cc1ccccc1)C(=O)OCC ZINC001602722904 971391091 /nfs/dbraw/zinc/39/10/91/971391091.db2.gz YWQYVDBZQHSFGP-LJQANCHMSA-N -1 0 381.428 3.187 20 30 GGEDRM C=CCOc1ccc(Br)cc1NC(=O)N([C@@H](C)C(=O)[O-])C1CC1 ZINC001602729031 971399708 /nfs/dbraw/zinc/39/97/08/971399708.db2.gz ZNNMQOGLVBKLCX-JTQLQIEISA-N -1 0 383.242 3.483 20 30 GGEDRM C=CCc1cc(CNC(=O)N2CCCC[C@H]2CCC(=O)[O-])cc(OC)c1OC ZINC001602729775 971401572 /nfs/dbraw/zinc/40/15/72/971401572.db2.gz GAPMKHFIBIIYAV-KRWDZBQOSA-N -1 0 390.480 3.361 20 30 GGEDRM C=CCn1c(-c2ccccc2Br)nnc1N1CCC(C(=O)[O-])CC1 ZINC001602730014 971404982 /nfs/dbraw/zinc/40/49/82/971404982.db2.gz PQLBPWCTZZRZMZ-UHFFFAOYSA-N -1 0 391.269 3.195 20 30 GGEDRM O=C(C=Cc1ccc(-c2nn[nH]n2)s1)c1cc(Br)cc(F)c1[O-] ZINC000826400181 948215906 /nfs/dbraw/zinc/21/59/06/948215906.db2.gz RJRFHIQKSQPFEX-IWQZZHSRSA-N -1 0 395.213 3.432 20 30 GGEDRM O=C(C=Cc1cc(-c2nn[nH]n2)cs1)c1cc(Br)cc(F)c1[O-] ZINC000826400314 948216754 /nfs/dbraw/zinc/21/67/54/948216754.db2.gz VLXCTFGLGBQISH-OWOJBTEDSA-N -1 0 395.213 3.432 20 30 GGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC(c2cccc(Br)c2)CC1 ZINC001602778742 971513583 /nfs/dbraw/zinc/51/35/83/971513583.db2.gz LUZYZQKJEPQVCJ-QGZVFWFLSA-N -1 0 379.254 3.160 20 30 GGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)NCCSCc1ccc(Cl)cc1Cl ZINC001602780646 971519554 /nfs/dbraw/zinc/51/95/54/971519554.db2.gz KLUZIWPHIFOMEG-OAHLLOKOSA-N -1 0 375.277 3.347 20 30 GGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1nnc(-c2cc(Cl)cc(Cl)c2)s1 ZINC001602781801 971526580 /nfs/dbraw/zinc/52/65/80/971526580.db2.gz JPBJHVIFPSOIIW-CQSZACIVSA-N -1 0 385.232 3.455 20 30 GGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(OCC(F)F)c(C(F)(F)F)c1 ZINC001602781987 971527613 /nfs/dbraw/zinc/52/76/13/971527613.db2.gz NHLPSYMLRRJLFL-CQSZACIVSA-N -1 0 380.269 3.292 20 30 GGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1nc2c(cccc2Cl)n1CC(F)(F)F ZINC001602782247 971528675 /nfs/dbraw/zinc/52/86/75/971528675.db2.gz RBIDGZPQAFXEMU-CQSZACIVSA-N -1 0 388.733 3.195 20 30 GGEDRM C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCC[C@@H](CC(=O)[O-])C1 ZINC001602796024 971559391 /nfs/dbraw/zinc/55/93/91/971559391.db2.gz SVNXGTRVLURXKT-KGLIPLIRSA-N -1 0 389.521 3.402 20 30 GGEDRM CCCCCCCC[C@H](C)C(=O)N1C[C@H](C(=O)[O-])C2(CC(C(=O)OC)C2)C1 ZINC001589645039 949717135 /nfs/dbraw/zinc/71/71/35/949717135.db2.gz KBKLVXWHHFQNFV-DILDSAGESA-N -1 0 381.513 3.486 20 30 GGEDRM C=CCc1cc(C(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)cc(OC)c1OC ZINC000262874671 950178349 /nfs/dbraw/zinc/17/83/49/950178349.db2.gz JYLQNISBVVGNPZ-RBUKOAKNSA-N -1 0 395.455 3.373 20 30 GGEDRM CC(C)(C(=O)[O-])n1ccc(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)n1 ZINC001602843644 971673933 /nfs/dbraw/zinc/67/39/33/971673933.db2.gz LHDNWAMJWSLRPV-UHFFFAOYSA-N -1 0 391.387 3.014 20 30 GGEDRM CC(C)(C)c1ccc(C(C)(C)CNc2cnc(C#N)c(-c3nnn[n-]3)n2)cc1 ZINC001573881254 950750573 /nfs/dbraw/zinc/75/05/73/950750573.db2.gz BKJLNTUIJVYLSB-UHFFFAOYSA-N -1 0 376.468 3.216 20 30 GGEDRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 ZINC001602852760 971693044 /nfs/dbraw/zinc/69/30/44/971693044.db2.gz GQACABNGHPFELF-GFCCVEGCSA-N -1 0 390.490 3.387 20 30 GGEDRM CC(C)(C)CC[C@@H](NC(=O)Cc1ccc(Br)cc1C#N)C(=O)[O-] ZINC001602861211 971718743 /nfs/dbraw/zinc/71/87/43/971718743.db2.gz NGABKYJZOFAZBE-CQSZACIVSA-N -1 0 381.270 3.259 20 30 GGEDRM CCCc1c(NC(=O)NCCCCCC(=O)[O-])cnn1-c1cccc(C#N)c1 ZINC000417775418 953418872 /nfs/dbraw/zinc/41/88/72/953418872.db2.gz OXEGRHCUCQXUJF-UHFFFAOYSA-N -1 0 383.452 3.463 20 30 GGEDRM C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC001589277603 953468289 /nfs/dbraw/zinc/46/82/89/953468289.db2.gz AYHWCPJUCMUYOA-MGPQQGTHSA-N -1 0 389.521 3.258 20 30 GGEDRM C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC001589279996 953485092 /nfs/dbraw/zinc/48/50/92/953485092.db2.gz SQOBIJLPHGBNJJ-ILXRZTDVSA-N -1 0 375.494 3.062 20 30 GGEDRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)C1 ZINC000591560511 953742974 /nfs/dbraw/zinc/74/29/74/953742974.db2.gz ISNZXQKTKAASNU-HIFRSBDPSA-N -1 0 380.404 3.320 20 30 GGEDRM C[C@H]1CCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)C[C@@H]1C(=O)[O-] ZINC000592464753 953745785 /nfs/dbraw/zinc/74/57/85/953745785.db2.gz HKSUKGMSMQOQBK-GUYCJALGSA-N -1 0 380.404 3.320 20 30 GGEDRM N#Cc1ccc(Oc2ccc(NC(=O)NCC3(C(=O)[O-])CCOCC3)cc2)cc1 ZINC000592465418 953746004 /nfs/dbraw/zinc/74/60/04/953746004.db2.gz XIRFOOAJGQIYFX-UHFFFAOYSA-N -1 0 395.415 3.353 20 30 GGEDRM C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1cccc(COc2ccccc2C#N)c1 ZINC001589306743 953749668 /nfs/dbraw/zinc/74/96/68/953749668.db2.gz YJOXIGHSWDCQFW-KXBFYZLASA-N -1 0 378.428 3.463 20 30 GGEDRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1cccc(COc2ccccc2C#N)c1 ZINC001589306741 953750060 /nfs/dbraw/zinc/75/00/60/953750060.db2.gz YJOXIGHSWDCQFW-DNVCBOLYSA-N -1 0 378.428 3.463 20 30 GGEDRM CN(C(=O)[C@](C)(C#N)CC(=O)[O-])c1nc2cc(Br)ccc2s1 ZINC001593675718 953923182 /nfs/dbraw/zinc/92/31/82/953923182.db2.gz DYAHZPNQBKPYOU-AWEZNQCLSA-N -1 0 382.239 3.026 20 30 GGEDRM C[C@H]1CCCN(C(=O)c2cccc(COc3cccc(C#N)c3)c2)[C@@H]1C(=O)[O-] ZINC001589329666 953943260 /nfs/dbraw/zinc/94/32/60/953943260.db2.gz OGZKLQWWFWEQQO-YWZLYKJASA-N -1 0 378.428 3.463 20 30 GGEDRM C[C@H]1CCCN(c2ccc(CNC(=O)[C@@](C)(C#N)CC(=O)[O-])cc2Cl)C1 ZINC001589332779 953957355 /nfs/dbraw/zinc/95/73/55/953957355.db2.gz PIZSKZVUSHDZMU-ORAYPTAESA-N -1 0 377.872 3.197 20 30 GGEDRM O=C([O-])C1(CNC(=O)Nc2cccc(C#Cc3ccccc3)c2)CCOCC1 ZINC000647691761 953963853 /nfs/dbraw/zinc/96/38/53/953963853.db2.gz OEHVDRWULJSBDH-UHFFFAOYSA-N -1 0 378.428 3.089 20 30 GGEDRM C[C@@H]1CCN(C(=O)Nc2cccc(Oc3ccc(C#N)cn3)c2)C[C@H]1C(=O)[O-] ZINC001589343171 954028972 /nfs/dbraw/zinc/02/89/72/954028972.db2.gz DDSVJWZAYASUBP-CXAGYDPISA-N -1 0 380.404 3.320 20 30 GGEDRM C=CCN(Cc1ccc(OC)cc1)C(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1 ZINC000652105572 954067980 /nfs/dbraw/zinc/06/79/80/954067980.db2.gz 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ZINC001594589958 956046785 /nfs/dbraw/zinc/04/67/85/956046785.db2.gz XWFIYZKAVUCRIM-SFHVURJKSA-N -1 0 391.387 3.031 20 30 GGEDRM C[C@H](NC(=O)c1ccc(Br)cc1C#N)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589114667 956085300 /nfs/dbraw/zinc/08/53/00/956085300.db2.gz DOMHUEZUSUQVAR-QCZZGDTMSA-N -1 0 379.254 3.186 20 30 GGEDRM N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)c2ccc(C(=O)[O-])cc2)CC1 ZINC001594602158 956142505 /nfs/dbraw/zinc/14/25/05/956142505.db2.gz UVQFWHZRGNQMGR-GOSISDBHSA-N -1 0 383.835 3.061 20 30 GGEDRM N#C[C@@H](NC(=O)C1(C(=O)[O-])CC=CC1)c1ccc(OCc2ccccc2)cc1 ZINC001594602114 956142954 /nfs/dbraw/zinc/14/29/54/956142954.db2.gz UKMBNHYBIUSWLM-LJQANCHMSA-N -1 0 376.412 3.367 20 30 GGEDRM N#C[C@H](NC(=O)c1coc(/C=C/C(=O)[O-])c1)c1ccc(OC(F)(F)F)cc1 ZINC001594602651 956150020 /nfs/dbraw/zinc/15/00/20/956150020.db2.gz YJJUWDUJIPYXOG-GJBLVYBDSA-N -1 0 380.278 3.271 20 30 GGEDRM C=CCCCCCCCNC(=O)N1C[C@H](C(=O)[O-])C[C@@H](c2cnn(C)c2)C1 ZINC000874401264 956159506 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C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC001588457800 958454319 /nfs/dbraw/zinc/45/43/19/958454319.db2.gz FFWOHKURRDDUAX-HZPDHXFCSA-N -1 0 382.501 3.339 20 30 GGEDRM C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC001588458230 958460198 /nfs/dbraw/zinc/46/01/98/958460198.db2.gz MPNPCJFNQPZXHB-CVEARBPZSA-N -1 0 376.453 3.178 20 30 GGEDRM C#CCN(CC(=O)[O-])C(=O)Nc1cc(Br)cc(C(F)(F)F)c1C ZINC001573318308 958462232 /nfs/dbraw/zinc/46/22/32/958462232.db2.gz VGJAEEBINPOASA-UHFFFAOYSA-N -1 0 393.159 3.328 20 30 GGEDRM C=CCCC[C@H](C(=O)N1C[C@@H](C(=O)[O-])C2(CC(C(=O)OC)C2)C1)c1ccccc1 ZINC001588458895 958466783 /nfs/dbraw/zinc/46/67/83/958466783.db2.gz XAYFBWZCOGGHQN-ZVLZEYJHSA-N -1 0 399.487 3.239 20 30 GGEDRM NC(=O)c1cccc(C(=O)Nc2cccc(C#Cc3cccc(C(=O)[O-])c3)c2)c1 ZINC000120943460 958469366 /nfs/dbraw/zinc/46/93/66/958469366.db2.gz NFNDVLYDYHCMQJ-UHFFFAOYSA-N -1 0 384.391 3.136 20 30 GGEDRM C=CCCc1ccc(S(=O)(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)cc1 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Cc1c(C(=O)/C=C/c2ccc(OCC(=O)[O-])cc2)nnn1-c1ccc(F)cc1 ZINC000147702137 959004550 /nfs/dbraw/zinc/00/45/50/959004550.db2.gz BOJUJXIFKFSSBR-NYYWCZLTSA-N -1 0 381.363 3.074 20 30 GGEDRM CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001573500277 959057178 /nfs/dbraw/zinc/05/71/78/959057178.db2.gz QHDLYTOHMYUGCT-ZVDOUQERSA-N -1 0 392.455 3.288 20 30 GGEDRM CC(C)COc1cc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])ccc1Br ZINC001573522633 959128525 /nfs/dbraw/zinc/12/85/25/959128525.db2.gz MGPIZGFQSDHVTR-MRXNPFEDSA-N -1 0 383.242 3.427 20 30 GGEDRM C[C@H](NS(=O)(=O)c1c(C#N)sc2ccccc21)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001573630132 959548174 /nfs/dbraw/zinc/54/81/74/959548174.db2.gz HOUFVOVALJWITD-WCFLWFBJSA-N -1 0 392.502 3.187 20 30 GGEDRM Cc1c(C)n(C2CCCCC2)c(NC(=O)CN([C@H](C)C(=O)[O-])C2CC2)c1C#N ZINC001594252652 959624214 /nfs/dbraw/zinc/62/42/14/959624214.db2.gz DZTXOTFCASGTQC-OAHLLOKOSA-N -1 0 386.496 3.358 20 30 GGEDRM Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)CSCCC(=O)[O-])c1C#N ZINC001594252966 959627670 /nfs/dbraw/zinc/62/76/70/959627670.db2.gz LHOWTXHQLDEPKA-UHFFFAOYSA-N -1 0 375.425 3.251 20 30 GGEDRM Cc1c2cc(C#N)ccc2sc1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-] ZINC001594256878 959658952 /nfs/dbraw/zinc/65/89/52/959658952.db2.gz UIBYMNVXJCOWJH-INIZCTEOSA-N -1 0 380.425 3.213 20 30 GGEDRM CC(C)(C)C1CCC(C#N)(NC(=O)C2=NN(c3ccccc3)[C@@H](C(=O)[O-])C2)CC1 ZINC001588642302 959699850 /nfs/dbraw/zinc/69/98/50/959699850.db2.gz BKRXMYKTQOMQDB-GXPWMBGSSA-N -1 0 396.491 3.321 20 30 GGEDRM Cc1c(Cl)cccc1N=C1SCCN1C(=O)c1cnc(C(=O)[O-])cn1 ZINC001594262668 959710089 /nfs/dbraw/zinc/71/00/89/959710089.db2.gz JMLWCXLNYUPPOS-UHFFFAOYSA-N -1 0 376.825 3.013 20 30 GGEDRM CC(C)(C)CC[C@@H](NC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)C(=O)[O-] ZINC001588644771 959724072 /nfs/dbraw/zinc/72/40/72/959724072.db2.gz CJFWVGFLRNOPEH-HUUCEWRRSA-N -1 0 397.516 3.359 20 30 GGEDRM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N(CC(=O)[O-])CC(C)(C)C ZINC001594268638 959774483 /nfs/dbraw/zinc/77/44/83/959774483.db2.gz LPOWNJKEUXOMMM-UHFFFAOYSA-N -1 0 380.491 3.203 20 30 GGEDRM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)NC[C@H](CC(=O)[O-])CC(C)C ZINC001594269043 959780268 /nfs/dbraw/zinc/78/02/68/959780268.db2.gz RIDDVMHYVCLXFY-AWEZNQCLSA-N -1 0 394.518 3.497 20 30 GGEDRM O=C([O-])C1CC2(C1)CC[C@@H](CNC(=O)c1ccc(C#Cc3ccccc3)cc1)O2 ZINC001605768682 972456998 /nfs/dbraw/zinc/45/69/98/972456998.db2.gz BVDKARVYHMHTMO-DQBMGFJSSA-N -1 0 389.451 3.229 20 30 GGEDRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)Nc2ccc(Oc3ccc(C#N)cn3)cc2)C1 ZINC001573698599 959807899 /nfs/dbraw/zinc/80/78/99/959807899.db2.gz NTMSUZAYSPILNK-UKRRQHHQSA-N -1 0 380.404 3.320 20 30 GGEDRM CSc1nc(C2CC2)cc(C(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c1C#N ZINC001574257214 960540259 /nfs/dbraw/zinc/54/02/59/960540259.db2.gz CSWVPLQBNGSZOX-WKPIXPDZSA-N -1 0 387.505 3.418 20 30 GGEDRM Cc1c(Cl)cccc1N=C1SCCN1C(=O)[C@@H]1CO[C@@H](CCC(=O)[O-])C1 ZINC001574298030 960708638 /nfs/dbraw/zinc/70/86/38/960708638.db2.gz VVLLBASMVDPRCR-STQMWFEESA-N -1 0 396.896 3.481 20 30 GGEDRM C=C(C)C[C@H](NC(=O)COc1ccc(Cl)cc1Br)C(=O)[O-] ZINC001261843759 960768749 /nfs/dbraw/zinc/76/87/49/960768749.db2.gz RAKUFVFLCSDHHA-NSHDSACASA-N -1 0 376.634 3.017 20 30 GGEDRM Cc1cc(C(=O)N2CCCc3cc(C(=O)[O-])ccc32)nn1-c1cccc(C#N)c1 ZINC001574312781 960771290 /nfs/dbraw/zinc/77/12/90/960771290.db2.gz XKRFTVDJZKCCAX-UHFFFAOYSA-N -1 0 386.411 3.344 20 30 GGEDRM CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)NC1(CC(=O)[O-])CCCCC1 ZINC001588705765 960836868 /nfs/dbraw/zinc/83/68/68/960836868.db2.gz CSQQGLUDGYCWPM-HNNXBMFYSA-N -1 0 395.500 3.257 20 30 GGEDRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)C1 ZINC001573819195 960935462 /nfs/dbraw/zinc/93/54/62/960935462.db2.gz LUQJINMCXSOLOH-OAQYLSRUSA-N -1 0 387.455 3.017 20 30 GGEDRM Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@H](CC(C)C)C(=O)[O-])cc1C ZINC001574350221 960980978 /nfs/dbraw/zinc/98/09/78/960980978.db2.gz IGFCCPHCEOSIGI-GOSISDBHSA-N -1 0 382.464 3.310 20 30 GGEDRM CC(C)(C)c1cc(NC(=O)c2ccc(C(=O)[O-])nc2)n(-c2ccc(C#N)cc2)n1 ZINC001588739496 961152594 /nfs/dbraw/zinc/15/25/94/961152594.db2.gz RQICBNLNRMNBOR-UHFFFAOYSA-N -1 0 389.415 3.387 20 30 GGEDRM O=C([O-])c1cccc(C#Cc2cccc(NC(=O)CNC(=O)c3ccccc3)c2)c1 ZINC000238199955 961153846 /nfs/dbraw/zinc/15/38/46/961153846.db2.gz JYYFJUSPAKNDPH-UHFFFAOYSA-N -1 0 398.418 3.153 20 30 GGEDRM CC(C)(CNC(=O)[C@@](C)(C#N)CC(=O)[O-])Sc1ccc(Br)cc1 ZINC001588779288 961294156 /nfs/dbraw/zinc/29/41/56/961294156.db2.gz CDWSYIYJEWRNNO-MRXNPFEDSA-N -1 0 399.310 3.441 20 30 GGEDRM CCOc1cc(C#N)cc(Br)c1OC(=O)c1ccc(C(=O)[O-])nc1 ZINC001573918882 961513316 /nfs/dbraw/zinc/51/33/16/961513316.db2.gz OIYJGCFZODYYGL-UHFFFAOYSA-N -1 0 391.177 3.032 20 30 GGEDRM CCOc1ccc(NC(=O)c2ccc(NC(=O)[C@](C)(C#N)CC(=O)[O-])cc2)cc1 ZINC001573919491 961517739 /nfs/dbraw/zinc/51/77/39/961517739.db2.gz BNCUXWYWHPPSCP-NRFANRHFSA-N -1 0 395.415 3.281 20 30 GGEDRM N#C[C@H](NC(=O)/C=C\c1ccc(C(=O)[O-])o1)c1cccc(Br)c1 ZINC001574474463 961640184 /nfs/dbraw/zinc/64/01/84/961640184.db2.gz OQSFPJWNMUKFSF-VGVVRCBHSA-N -1 0 375.178 3.135 20 30 GGEDRM N#C[C@H](NC(=O)/C=C\c1ccc(C(=O)[O-])o1)c1ccccc1Br ZINC001574474623 961641160 /nfs/dbraw/zinc/64/11/60/961641160.db2.gz QAWIUZPUPKNZTE-WOLRVDTOSA-N -1 0 375.178 3.135 20 30 GGEDRM N#Cc1cc(Br)ccc1CC(=O)NC1(C(=O)[O-])CCCCCC1 ZINC001574480161 961658779 /nfs/dbraw/zinc/65/87/79/961658779.db2.gz XNWGTVUVDUPWMU-UHFFFAOYSA-N -1 0 379.254 3.157 20 30 GGEDRM N#Cc1cc(CS(=O)(=O)N2CCC(c3ccccc3C(=O)[O-])CC2)cs1 ZINC001574485848 961679746 /nfs/dbraw/zinc/67/97/46/961679746.db2.gz KTVMVYVUSMYHCL-UHFFFAOYSA-N -1 0 390.486 3.027 20 30 GGEDRM N#Cc1cc(F)c(OC(=O)Cc2ccccc2C(=O)[O-])c(Br)c1 ZINC001574486457 961685022 /nfs/dbraw/zinc/68/50/22/961685022.db2.gz XTTZNLXTPFLCCL-UHFFFAOYSA-N -1 0 378.153 3.306 20 30 GGEDRM N#Cc1ccc(Oc2ccc(NC(=O)N3C[C@@H](C(=O)[O-])[C@H](C4CC4)C3)cc2)nc1 ZINC001574487495 961687312 /nfs/dbraw/zinc/68/73/12/961687312.db2.gz BHUTXKSJRQOMHB-ZWKOTPCHSA-N -1 0 392.415 3.320 20 30 GGEDRM N#Cc1ccc(Cc2cnc(NC(=O)C3(C(=O)[O-])CCSCC3)s2)cc1 ZINC001574487802 961688969 /nfs/dbraw/zinc/68/89/69/961688969.db2.gz IKGQPEQINYQHDC-UHFFFAOYSA-N -1 0 387.486 3.142 20 30 GGEDRM N#Cc1ccc(OC(F)F)c(NC(=O)N[C@@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC001574487796 961689120 /nfs/dbraw/zinc/68/91/20/961689120.db2.gz HZOITIYVUNVHSI-CQSZACIVSA-N -1 0 379.294 3.246 20 30 GGEDRM N#Cc1ccc(CSCC(=O)Nc2sc3c(c2C(=O)[O-])CCOC3)cc1 ZINC001574487798 961690196 /nfs/dbraw/zinc/69/01/96/961690196.db2.gz IDMDIHZGOZXUJF-UHFFFAOYSA-N -1 0 388.470 3.263 20 30 GGEDRM N#Cc1cccc(OCCCCC(=O)N2Cc3ccccc3[C@@H](C(=O)[O-])C2)c1 ZINC001574488473 961694480 /nfs/dbraw/zinc/69/44/80/961694480.db2.gz AFASQZMFEYRLDM-FQEVSTJZSA-N -1 0 378.428 3.318 20 30 GGEDRM N#Cc1ccccc1CSCCNC(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001574488580 961696849 /nfs/dbraw/zinc/69/68/49/961696849.db2.gz BTDGMVDOSXJDKD-RTBURBONSA-N -1 0 395.484 3.404 20 30 GGEDRM N#Cc1ccccc1CSCCNC(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001574488578 961697563 /nfs/dbraw/zinc/69/75/63/961697563.db2.gz BTDGMVDOSXJDKD-RBUKOAKNSA-N -1 0 395.484 3.404 20 30 GGEDRM N#Cc1ccccc1CSCCNC(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001574488574 961697592 /nfs/dbraw/zinc/69/75/92/961697592.db2.gz BTDGMVDOSXJDKD-MOPGFXCFSA-N -1 0 395.484 3.404 20 30 GGEDRM N#Cc1ccc(OCc2ccc(C(=O)Nc3ccc(O)c(C(=O)[O-])c3)o2)cc1 ZINC001574488889 961698708 /nfs/dbraw/zinc/69/87/08/961698708.db2.gz UTBWXPBRGUTBSC-UHFFFAOYSA-N -1 0 378.340 3.386 20 30 GGEDRM N#Cc1cccc(OCc2ccoc2C(=O)NCc2ccccc2C(=O)[O-])c1 ZINC001574489754 961706844 /nfs/dbraw/zinc/70/68/44/961706844.db2.gz NXOZAATWJGTRMS-UHFFFAOYSA-N -1 0 376.368 3.358 20 30 GGEDRM N#Cc1cccc(OCc2ccoc2C(=O)N2CCC(CCC(=O)[O-])CC2)c1 ZINC001574489747 961707127 /nfs/dbraw/zinc/70/71/27/961707127.db2.gz NLCQDBASQDOWJR-UHFFFAOYSA-N -1 0 382.416 3.447 20 30 GGEDRM N#Cc1cccnc1NCc1cccc(C(=O)N2CCCC[C@@H]2CCC(=O)[O-])c1 ZINC001574493157 961718932 /nfs/dbraw/zinc/71/89/32/961718932.db2.gz KSJJPCWEBAUNQG-LJQANCHMSA-N -1 0 392.459 3.425 20 30 GGEDRM C=CCc1ccc(OCC(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)c(OC)c1 ZINC000262955900 962041635 /nfs/dbraw/zinc/04/16/35/962041635.db2.gz RCGNTJZDBMNOKY-RBUKOAKNSA-N -1 0 395.455 3.129 20 30 GGEDRM C=CCc1cc(CNC(=O)N2CCC[C@H](CCC(=O)[O-])C2)cc(OC)c1OC ZINC001339710031 962062954 /nfs/dbraw/zinc/06/29/54/962062954.db2.gz NRLPEARAFYRXCS-OAHLLOKOSA-N -1 0 390.480 3.219 20 30 GGEDRM CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CCC2(CC(C(=O)[O-])C2)O1 ZINC001588871024 962078465 /nfs/dbraw/zinc/07/84/65/962078465.db2.gz GNLHYNNLVRTAIP-GSVIPDFHSA-N -1 0 399.491 3.138 20 30 GGEDRM N#Cc1ccc2c(c1)CC[C@H]2NC(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001343130966 962161895 /nfs/dbraw/zinc/16/18/95/962161895.db2.gz IHYOTZAMAAYZJO-XUVXKRRUSA-N -1 0 375.428 3.055 20 30 GGEDRM C=CCOc1cc(OC)ccc1C(=O)NC[C@@](CC)(C(=O)[O-])c1ccccc1 ZINC000263068892 962209767 /nfs/dbraw/zinc/20/97/67/962209767.db2.gz SURXQTNNXVLHTD-JOCHJYFZSA-N -1 0 383.444 3.422 20 30 GGEDRM CC[C@](CNC(=O)CSCc1ccc(C#N)cc1)(C(=O)[O-])c1ccccc1 ZINC000263135838 962290371 /nfs/dbraw/zinc/29/03/71/962290371.db2.gz ZGOOXLHOOJTJMV-OAQYLSRUSA-N -1 0 382.485 3.340 20 30 GGEDRM C=C[C@H](CC(=O)N(CC(=O)[O-])Cc1cc(OC)cc(OC)c1)c1ccccc1 ZINC000263283826 962422843 /nfs/dbraw/zinc/42/28/43/962422843.db2.gz SZMDOCNBORGNGB-QGZVFWFLSA-N -1 0 383.444 3.477 20 30 GGEDRM C=CCc1cc(C(=O)NCCc2ccc(C(=O)[O-])cc2OC)cc(OC)c1OC ZINC000263360836 962518033 /nfs/dbraw/zinc/51/80/33/962518033.db2.gz UBLNMCNHCQZUJK-UHFFFAOYSA-N -1 0 399.443 3.112 20 30 GGEDRM C#CCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@H](C(=O)[O-])C1 ZINC001573301528 962630140 /nfs/dbraw/zinc/63/01/40/962630140.db2.gz FVEMRLGSCUPIGD-CYBMUJFWSA-N -1 0 390.846 3.452 20 30 GGEDRM C#C[C@H](NS(=O)(=O)c1ccc(C)c(C(=O)[O-])c1)c1ccc(Cl)cc1F ZINC001573301929 962639387 /nfs/dbraw/zinc/63/93/87/962639387.db2.gz HCJAQDHWHDXFRX-INIZCTEOSA-N -1 0 381.812 3.139 20 30 GGEDRM C#CCCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[C@@H](C(=O)[O-])C1 ZINC001573302007 962641787 /nfs/dbraw/zinc/64/17/87/962641787.db2.gz OCLSCVVIRRYGCW-MRXNPFEDSA-N -1 0 391.475 3.151 20 30 GGEDRM C#C[C@H](NC(=O)C1(C(=O)[O-])CC2(CCC2)C1)c1ccc(Br)cc1 ZINC001573302186 962645711 /nfs/dbraw/zinc/64/57/11/962645711.db2.gz KTKZLQKWJMAXBM-AWEZNQCLSA-N -1 0 376.250 3.275 20 30 GGEDRM C#CCN([C@H]1CCCc2ccccc21)S(=O)(=O)c1c(C)csc1C(=O)[O-] ZINC001573302276 962648371 /nfs/dbraw/zinc/64/83/71/962648371.db2.gz UETKZUPFHRJDHA-INIZCTEOSA-N -1 0 389.498 3.456 20 30 GGEDRM C#CC[C@@]1(C(=O)Nc2ccc(F)c(C(=O)[O-])c2)CCCN1C(=O)OC(C)(C)C ZINC001573302723 962661403 /nfs/dbraw/zinc/66/14/03/962661403.db2.gz DTMWWEPDBJPXQE-FQEVSTJZSA-N -1 0 390.411 3.255 20 30 GGEDRM C#CC[C@H](NC(=O)c1ccccc1CSc1nc2ccccc2o1)C(=O)[O-] ZINC001573302992 962668557 /nfs/dbraw/zinc/66/85/57/962668557.db2.gz ITXUWMASVKAXNP-INIZCTEOSA-N -1 0 380.425 3.326 20 30 GGEDRM C#CCOc1ccc(CNS(=O)(=O)c2ccc(C(=O)[O-])c3ccccc32)cc1 ZINC001573312029 962717645 /nfs/dbraw/zinc/71/76/45/962717645.db2.gz LUZRFGOMWJXEDN-UHFFFAOYSA-N -1 0 395.436 3.029 20 30 GGEDRM C=C(Br)CNC(=O)Nc1cc(C(=O)[O-])c(NC(C)=O)cc1Cl ZINC001573312982 962726093 /nfs/dbraw/zinc/72/60/93/962726093.db2.gz ALILBHKYHMIFFM-UHFFFAOYSA-N -1 0 390.621 3.027 20 30 GGEDRM C=C(C)C[C@H](NC(=O)c1ccc2c(c1)ncn2Cc1ccccc1OC)C(=O)[O-] ZINC001573324202 962782069 /nfs/dbraw/zinc/78/20/69/962782069.db2.gz OUFXWHLUCALSIM-SFHVURJKSA-N -1 0 393.443 3.242 20 30 GGEDRM C=C(C)CCC(=O)N[C@@H](Cc1c[nH]c2ccc(Br)cc12)C(=O)[O-] ZINC001573324617 962786364 /nfs/dbraw/zinc/78/63/64/962786364.db2.gz VUOCOHIRLFTDQD-HNNXBMFYSA-N -1 0 379.254 3.399 20 30 GGEDRM C=C(C)CCC(=O)N[C@H](Cc1c[nH]c2ccc(Br)cc12)C(=O)[O-] ZINC001573324618 962786719 /nfs/dbraw/zinc/78/67/19/962786719.db2.gz VUOCOHIRLFTDQD-OAHLLOKOSA-N -1 0 379.254 3.399 20 30 GGEDRM COc1cc(C#N)ccc1OCCCC(=O)N[C@H](CCC(C)(C)C)C(=O)[O-] ZINC001574177183 962794830 /nfs/dbraw/zinc/79/48/30/962794830.db2.gz NPKDHSZBKFEYBJ-OAHLLOKOSA-N -1 0 376.453 3.122 20 30 GGEDRM C=C(C)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C(=O)[O-])CC1 ZINC001573326192 962803694 /nfs/dbraw/zinc/80/36/94/962803694.db2.gz SZVDWOGNEXPMIJ-QGZVFWFLSA-N -1 0 399.495 3.411 20 30 GGEDRM C=CCN(C(=O)c1cc(C)cc(C(=O)[O-])c1)[C@@H](Cc1ccccc1)C(=O)OCC ZINC001573328164 962809199 /nfs/dbraw/zinc/80/91/99/962809199.db2.gz CBYHGHXMPAQULD-FQEVSTJZSA-N -1 0 395.455 3.496 20 30 GGEDRM C=C(CCC(=O)[O-])C(=O)N1CCC[C@@H]([C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001573331784 962816610 /nfs/dbraw/zinc/81/66/10/962816610.db2.gz ARJCZUDAPWXZRY-SJORKVTESA-N -1 0 394.512 3.293 20 30 GGEDRM C=C(CCC(=O)[O-])C(=O)N1CC2(C[C@H]1C)CCN(C(=O)OC(C)(C)C)CC2 ZINC001573331925 962820504 /nfs/dbraw/zinc/82/05/04/962820504.db2.gz DWIDSKMSLWJVPW-OAHLLOKOSA-N -1 0 380.485 3.046 20 30 GGEDRM C=C(CCC(=O)[O-])C(=O)N[C@H](C)c1ccc(OCc2ccncc2)c(OC)c1 ZINC001573332380 962830985 /nfs/dbraw/zinc/83/09/85/962830985.db2.gz MRRFVJROSARUHD-OAHLLOKOSA-N -1 0 384.432 3.267 20 30 GGEDRM C=C(CCC(=O)[O-])C(=O)N1CCC2(CCC[C@H]2CNC(=O)OC(C)(C)C)CC1 ZINC001573332628 962839300 /nfs/dbraw/zinc/83/93/00/962839300.db2.gz PXCLRKGQMUJVSS-INIZCTEOSA-N -1 0 394.512 3.341 20 30 GGEDRM C=C(CCC(=O)[O-])C(=O)NCc1cccc2c1CCN(C(=O)OC(C)(C)C)C2 ZINC001573336353 962858382 /nfs/dbraw/zinc/85/83/82/962858382.db2.gz BIIHNCICECQOEG-UHFFFAOYSA-N -1 0 388.464 3.017 20 30 GGEDRM COc1cc(OC)cc(Oc2cccc(CNC(=O)[C@](C)(C#N)CC(=O)[O-])c2)c1 ZINC001574194776 962867628 /nfs/dbraw/zinc/86/76/28/962867628.db2.gz HDESYNNKKVJXKC-NRFANRHFSA-N -1 0 398.415 3.117 20 30 GGEDRM C=CC(C)(C)CCNS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Br ZINC001573347692 962950455 /nfs/dbraw/zinc/95/04/55/962950455.db2.gz MQUYCMDGUXMFAI-UHFFFAOYSA-N -1 0 394.262 3.167 20 30 GGEDRM C=CC(C)(C)CCCNS(=O)(=O)c1cc(C(=O)[O-])ccc1Br ZINC001573347930 962954166 /nfs/dbraw/zinc/95/41/66/962954166.db2.gz QEJAQRKSXMXRNH-UHFFFAOYSA-N -1 0 390.299 3.418 20 30 GGEDRM C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCOc2c(cccc2C(=O)[O-])C1 ZINC001573350475 962969040 /nfs/dbraw/zinc/96/90/40/962969040.db2.gz IMEQRNHEIUONJO-SFHVURJKSA-N -1 0 380.444 3.476 20 30 GGEDRM C=CCC(C)(C)Cn1c([C@H]2CCCCO2)nnc1N1CCC(C(=O)[O-])CC1 ZINC001573350530 962969235 /nfs/dbraw/zinc/96/92/35/962969235.db2.gz JLBPHMCBAPEXOX-MRXNPFEDSA-N -1 0 376.501 3.423 20 30 GGEDRM C=CCC(C)(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCC(C(=O)[O-])CC1 ZINC001573350529 962969251 /nfs/dbraw/zinc/96/92/51/962969251.db2.gz JLBPHMCBAPEXOX-INIZCTEOSA-N -1 0 376.501 3.423 20 30 GGEDRM C=CC[C@@H](Cc1ccccc1)NS(=O)(=O)c1cccc2c1ccnc2C(=O)[O-] ZINC001573350875 962972912 /nfs/dbraw/zinc/97/29/12/962972912.db2.gz NDUITWRMXYTKQO-INIZCTEOSA-N -1 0 396.468 3.399 20 30 GGEDRM C=CC[C@H](Cc1ccccc1)NS(=O)(=O)c1cccc2c1ccnc2C(=O)[O-] ZINC001573350879 962973652 /nfs/dbraw/zinc/97/36/52/962973652.db2.gz NDUITWRMXYTKQO-MRXNPFEDSA-N -1 0 396.468 3.399 20 30 GGEDRM C=CC1(CC(=O)Nc2ccc(C(=O)[O-])cc2OC)CN(C(=O)OC(C)(C)C)C1 ZINC001573351113 962975181 /nfs/dbraw/zinc/97/51/81/962975181.db2.gz PNHXNQPRIQBBPS-UHFFFAOYSA-N -1 0 390.436 3.145 20 30 GGEDRM C=CCCC[C@H](NC(=O)Cc1csc(-c2ccc3c(c2)OCO3)n1)C(=O)[O-] ZINC001573356575 963007429 /nfs/dbraw/zinc/00/74/29/963007429.db2.gz DXARRELXOOFFSC-AWEZNQCLSA-N -1 0 388.445 3.007 20 30 GGEDRM C=CCCOCCn1c(Cc2ccccc2C)nnc1N1CCC(C(=O)[O-])CC1 ZINC001573359944 963029640 /nfs/dbraw/zinc/02/96/40/963029640.db2.gz BHWGCFMORVZLPW-UHFFFAOYSA-N -1 0 398.507 3.071 20 30 GGEDRM C=CCCc1ccc(S(=O)(=O)N[C@@H](C)[C@@H](Cc2ccccc2)C(=O)[O-])cc1 ZINC001573360065 963030606 /nfs/dbraw/zinc/03/06/06/963030606.db2.gz FRSZZDGGQFHAPH-OXJNMPFZSA-N -1 0 387.501 3.416 20 30 GGEDRM C=CCCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CC[C@H](C(=O)[O-])C1 ZINC001573360350 963035544 /nfs/dbraw/zinc/03/55/44/963035544.db2.gz MDMZGUJXZAJOEN-HNNXBMFYSA-N -1 0 379.464 3.227 20 30 GGEDRM C=CCN(C(=O)c1ccc(C(=O)[O-])c(F)c1)[C@@H](Cc1ccccc1)C(=O)OCC ZINC001573360418 963037493 /nfs/dbraw/zinc/03/74/93/963037493.db2.gz OGNUKAATNQEPJJ-IBGZPJMESA-N -1 0 399.418 3.327 20 30 GGEDRM C=CCCc1ccc(S(=O)(=O)NC[C@H](Cc2cccc(F)c2)C(=O)[O-])cc1 ZINC001573360455 963038719 /nfs/dbraw/zinc/03/87/19/963038719.db2.gz PFPUTHOFCMKPOM-KRWDZBQOSA-N -1 0 391.464 3.166 20 30 GGEDRM C=CCCCNC(=O)N1CCOc2c(Br)cc(C(=O)[O-])cc2C1 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C#CCCCCn1c(CCc2ccccc2)nnc1N1CCC(C(=O)[O-])CC1 ZINC001588446742 964077508 /nfs/dbraw/zinc/07/75/08/964077508.db2.gz YKXLVKYQETUHAP-UHFFFAOYSA-N -1 0 380.492 3.168 20 30 GGEDRM C#CCCCCn1c(-c2cc3ccccc3o2)nnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001588446739 964077928 /nfs/dbraw/zinc/07/79/28/964077928.db2.gz XXYZHNOHMQJTMF-MRXNPFEDSA-N -1 0 378.432 3.406 20 30 GGEDRM C=CCOc1ccc(Br)cc1NC(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000263036183 967839893 /nfs/dbraw/zinc/83/98/93/967839893.db2.gz BUPRCBOPKVUJSY-LLVKDONJSA-N -1 0 383.242 3.342 20 30 GGEDRM Cc1nc(SCC(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c(C#N)c(C)c1C ZINC000594467527 968495904 /nfs/dbraw/zinc/49/59/04/968495904.db2.gz MROUYAZOHSNDPM-CWRNSKLLSA-N -1 0 389.521 3.222 20 30 GGEDRM Cc1nc(SCC(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c(C#N)c(C)c1C ZINC000594467528 968496133 /nfs/dbraw/zinc/49/61/33/968496133.db2.gz MROUYAZOHSNDPM-VNQPRFMTSA-N -1 0 389.521 3.222 20 30 GGEDRM Cc1nc(SCC(=O)N2Cc3ccccc3[C@@H](C(=O)[O-])C2)c(C#N)c(C)c1C 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N#Cc1cccc(N(C(=O)C2=NN(c3ccccc3)[C@@H](C(=O)[O-])C2)C2CCC2)c1 ZINC001605617502 973933538 /nfs/dbraw/zinc/93/35/38/973933538.db2.gz IPBOCCBUJAYMJK-HXUWFJFHSA-N -1 0 388.427 3.163 20 30 GGEDRM N#Cc1cccc(C(=O)N2Cc3ccccc3[C@@H](C(=O)[O-])C2)c1Br ZINC001605617628 973936468 /nfs/dbraw/zinc/93/64/68/973936468.db2.gz QONFKIDBTDCSDX-HNNXBMFYSA-N -1 0 385.217 3.145 20 30 GGEDRM N#Cc1cccnc1NCc1cccc(C(=O)N[C@H](C(=O)[O-])c2ccccc2)c1 ZINC001605623044 973947156 /nfs/dbraw/zinc/94/71/56/973947156.db2.gz RQYMZZHLNODORM-IBGZPJMESA-N -1 0 386.411 3.121 20 30 GGEDRM COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CS[C@H](C)C(=O)[O-])cc1 ZINC001604750890 973961935 /nfs/dbraw/zinc/96/19/35/973961935.db2.gz HNFJQXLADVHUDJ-CYBMUJFWSA-N -1 0 387.461 3.119 20 30 GGEDRM N#CCCCN1C(=O)CCc2cc(NC(=O)NC3CCC(C(=O)[O-])CC3)ccc21 ZINC000417767651 973969186 /nfs/dbraw/zinc/96/91/86/973969186.db2.gz CZLIKBGDKWRZOZ-UHFFFAOYSA-N -1 0 398.463 3.034 20 30 GGEDRM CCCCCCCCCC(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC001603641028 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COc1ccc(CN[C@@H](C)c2ncc(C(=O)[O-])s2)cc1OCCCC#N ZINC000565599137 974584992 /nfs/dbraw/zinc/58/49/92/974584992.db2.gz MTXCXYNDNYFTBO-LBPRGKRZSA-N -1 0 375.450 3.383 20 30 GGEDRM N#Cc1cccc(Oc2ccc(NS(=O)(=O)c3ccc(C(=O)[O-])cc3)cn2)c1 ZINC000603979851 975014005 /nfs/dbraw/zinc/01/40/05/975014005.db2.gz WWEGHWOONFISRX-UHFFFAOYSA-N -1 0 395.396 3.245 20 30 GGEDRM CC(C)(C)c1ccc([C@@H](CC(=O)[O-])NS(=O)(=O)c2ccc(C#N)s2)cc1 ZINC000619546576 975025087 /nfs/dbraw/zinc/02/50/87/975025087.db2.gz WUHHROCDHQWOHL-OAHLLOKOSA-N -1 0 392.502 3.412 20 30 GGEDRM O=C([O-])[C@H](C[C@H]1CCCOC1)NC(=O)c1ccc(C#Cc2ccccc2)cc1 ZINC000630269588 975213085 /nfs/dbraw/zinc/21/30/85/975213085.db2.gz CLASGXPLPOFMDI-CTNGQTDRSA-N -1 0 377.440 3.086 20 30 GGEDRM C=C(C)C[C@H](NC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C)C(=O)[O-] ZINC000630319186 975250429 /nfs/dbraw/zinc/25/04/29/975250429.db2.gz VJBLPABVJVFTFM-HNNXBMFYSA-N -1 0 381.354 3.349 20 30 GGEDRM C=C(C)C[C@H](NC(=O)c1sc(COc2ccc(F)cc2)nc1C)C(=O)[O-] ZINC000630319638 975250809 /nfs/dbraw/zinc/25/08/09/975250809.db2.gz DWBHNHYZCLCXPY-AWEZNQCLSA-N -1 0 378.425 3.319 20 30 GGEDRM C=CCc1ccc(OCC(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@H]32)c(OC)c1 ZINC000659189054 975785427 /nfs/dbraw/zinc/78/54/27/975785427.db2.gz LDLNPAXXEKVAMP-FGTMMUONSA-N -1 0 387.476 3.294 20 30 GGEDRM CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@@](C)(CC(=O)[O-])c1ccccn1 ZINC001591759312 975841890 /nfs/dbraw/zinc/84/18/90/975841890.db2.gz YPTIXLASEQXUBR-FQEVSTJZSA-N -1 0 382.420 3.252 20 30 GGEDRM C=CCN(Cc1cccs1)C(=O)[C@H](C)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000662221973 975903580 /nfs/dbraw/zinc/90/35/80/975903580.db2.gz HSXCNSAJSGZEMH-HNAYVOBHSA-N -1 0 384.501 3.335 20 30 GGEDRM C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000662221971 975904321 /nfs/dbraw/zinc/90/43/21/975904321.db2.gz HSXCNSAJSGZEMH-BEFAXECRSA-N -1 0 384.501 3.335 20 30 GGEDRM CC(C)Oc1ccc(NC(=O)N[C@@](C)(CC(=O)[O-])c2cccnc2)cc1C#N ZINC001591786684 975958904 /nfs/dbraw/zinc/95/89/04/975958904.db2.gz 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MZHQMZXMQWJOEO-UHFFFAOYSA-N -1 0 376.459 3.067 20 30 GGEDRM Cc1c(C(=O)/C=C/c2ccc(OCC(=O)[O-])cc2)cnn1-c1ccc(C#N)cc1 ZINC000741845519 978676019 /nfs/dbraw/zinc/67/60/19/978676019.db2.gz XMTYTMMCBSWTBV-IZZDOVSWSA-N -1 0 387.395 3.412 20 30 GGEDRM Cc1c(C(=O)/C=C\c2ccc(OCC(=O)[O-])cc2)cnn1-c1ccc(C#N)cc1 ZINC000741845521 978676301 /nfs/dbraw/zinc/67/63/01/978676301.db2.gz XMTYTMMCBSWTBV-WDZFZDKYSA-N -1 0 387.395 3.412 20 30 GGEDRM Cc1ccc(N(CCC#N)S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2F)cc1 ZINC000749141609 978688207 /nfs/dbraw/zinc/68/82/07/978688207.db2.gz HEFNMBGGPUDIJI-UHFFFAOYSA-N -1 0 376.409 3.250 20 30 GGEDRM O=C([O-])COc1ccc(/C=C/C(=O)c2cc(Br)ncc2F)cc1 ZINC000762428228 978720118 /nfs/dbraw/zinc/72/01/18/978720118.db2.gz XKOHWMYFTZGTTA-ZZXKWVIFSA-N -1 0 380.169 3.343 20 30 GGEDRM COc1ccc(C(=O)Nc2cccc(CN=Nc3ccc(C(=O)[O-])cn3)c2)cc1 ZINC000763369023 978721454 /nfs/dbraw/zinc/72/14/54/978721454.db2.gz SISOPSINPKZAIA-UHFFFAOYSA-N -1 0 390.399 3.487 20 30 GGEDRM CN(C)c1nc(CN=Nc2ccc(C(=O)[O-])cn2)c(Cl)n1-c1ccccc1 ZINC000763371981 978722681 /nfs/dbraw/zinc/72/26/81/978722681.db2.gz OFYDWERFYMCERQ-UHFFFAOYSA-N -1 0 384.827 3.131 20 30 GGEDRM Cc1cc(Br)c2c(c1)C(N=Nc1ccc(C(=O)[O-])cn1)CCO2 ZINC000763372125 978722755 /nfs/dbraw/zinc/72/27/55/978722755.db2.gz UEUWOPYWAPYGBW-UHFFFAOYSA-N -1 0 376.210 3.449 20 30 GGEDRM CCN(CC)S(=O)(=O)c1ccc(C(=O)/C=C\c2cccc(C(=O)[O-])c2)cc1 ZINC000765825435 978724060 /nfs/dbraw/zinc/72/40/60/978724060.db2.gz OXTAEAXJIURURO-JYRVWZFOSA-N -1 0 387.457 3.311 20 30 GGEDRM C=CCOc1ccc(/C=C\C(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])cc1OC ZINC000766940673 978730142 /nfs/dbraw/zinc/73/01/42/978730142.db2.gz CZOWCVVNMIDQDQ-ZMOVQZPESA-N -1 0 393.439 3.311 20 30 GGEDRM C=CCOc1ccc(/C=C/C(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])cc1OC ZINC000766940671 978730214 /nfs/dbraw/zinc/73/02/14/978730214.db2.gz CZOWCVVNMIDQDQ-SINXNMPMSA-N -1 0 393.439 3.311 20 30 GGEDRM CCS(=O)(=O)c1c(Cl)cccc1C=NNc1ccc(C(=O)[O-])cc1OC ZINC000774394283 978746970 /nfs/dbraw/zinc/74/69/70/978746970.db2.gz NARHVELGVOCTBB-UHFFFAOYSA-N -1 0 396.852 3.286 20 30 GGEDRM CCCCCCCCn1nc(C)c(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])c1C ZINC000776645244 978765620 /nfs/dbraw/zinc/76/56/20/978765620.db2.gz KWTQMOZUDSZUJG-MRXNPFEDSA-N -1 0 385.530 3.098 20 30 GGEDRM C=CCOc1ccc(/C=C/C(=O)N2Cc3ccccc3[C@H](C(=O)[O-])C2)cc1OC ZINC000777368211 978776848 /nfs/dbraw/zinc/77/68/48/978776848.db2.gz CCLHJZJJZMQIPW-SINXNMPMSA-N -1 0 393.439 3.484 20 30 GGEDRM COc1cc(C(=O)[O-])ccc1NN=C(C)c1cc2c(s1)SCC(=O)N2 ZINC000778543503 978782722 /nfs/dbraw/zinc/78/27/22/978782722.db2.gz AANHIWUZLMSDCU-UHFFFAOYSA-N -1 0 377.447 3.335 20 30 GGEDRM O=C([O-])c1ccc(N=NCc2cn(-c3ccc(Cl)c(Cl)c3)nn2)nc1 ZINC000783861215 978793880 /nfs/dbraw/zinc/79/38/80/978793880.db2.gz BQGFMJGSQCANEB-UHFFFAOYSA-N -1 0 377.191 3.113 20 30 GGEDRM Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)Nc1cccc(OCCCC#N)c1 ZINC000793363435 978803786 /nfs/dbraw/zinc/80/37/86/978803786.db2.gz KNKWCDGXPLDNNI-UHFFFAOYSA-N -1 0 392.408 3.316 20 30 GGEDRM O=C([O-])c1ccc(N=NCc2cnn(-c3ccc(C(F)(F)F)cc3)c2)nc1 ZINC000794924130 978830232 /nfs/dbraw/zinc/83/02/32/978830232.db2.gz VXLPUBFJYJRIKQ-UHFFFAOYSA-N -1 0 375.310 3.430 20 30 GGEDRM C[C@H](CCc1ccc2c(c1)OCO2)NN=Cc1ccc(O[C@@H](C)C(=O)[O-])cc1 ZINC000794936995 978830786 /nfs/dbraw/zinc/83/07/86/978830786.db2.gz FEYQCAFQKJFHKR-CABCVRRESA-N -1 0 384.432 3.212 20 30 GGEDRM COc1ccc(NC(=S)NN=Cc2cn(CC(=O)[O-])c3ccccc23)cc1 ZINC000799867910 978841573 /nfs/dbraw/zinc/84/15/73/978841573.db2.gz HZRHACVOVHNFBP-UHFFFAOYSA-N -1 0 382.445 3.055 20 30 GGEDRM COc1cc(C=C(Cl)c2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)ccc1C#N ZINC000799495142 978841685 /nfs/dbraw/zinc/84/16/85/978841685.db2.gz NPQIBBGRZJWYDD-MKMNVTDBSA-N -1 0 381.775 3.238 20 30 GGEDRM COc1cc(C(=O)[O-])ccc1NN=C1C(=O)Nc2cccc(C(F)(F)F)c21 ZINC000800815291 978847438 /nfs/dbraw/zinc/84/74/38/978847438.db2.gz RZHLMUAKIJJMNG-UHFFFAOYSA-N -1 0 379.294 3.181 20 30 GGEDRM CCOC(=O)[C@H]1C/C(=C/c2ccc(OCC(=O)[O-])cc2)C(=O)c2ccccc21 ZINC000802708930 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20 30 GGEDRM CC[C@H](C)c1ccc(-c2csc(NC(=O)CN(CC#N)CC(=O)[O-])n2)cc1 ZINC000828764996 978987809 /nfs/dbraw/zinc/98/78/09/978987809.db2.gz SGEQCVSFSKXXAL-ZDUSSCGKSA-N -1 0 386.477 3.172 20 30 GGEDRM Cc1c(Br)ccc(C(=O)[O-])c1NC(=O)COc1ccccc1C#N ZINC000832847894 979049351 /nfs/dbraw/zinc/04/93/51/979049351.db2.gz BIIJIDMLNTXFTL-UHFFFAOYSA-N -1 0 389.205 3.345 20 30 GGEDRM Cc1cccc(N(CCC#N)C(=O)CN(C)Cc2ccc(C(=O)[O-])cc2)c1C ZINC000832971346 979062691 /nfs/dbraw/zinc/06/26/91/979062691.db2.gz KNINAHKMFGPGHT-UHFFFAOYSA-N -1 0 379.460 3.380 20 30 GGEDRM CC[C@H](C)c1nc(C)c(CC(=O)OCC#Cc2cccc(C(=O)[O-])c2)c(C)n1 ZINC001595015875 979067028 /nfs/dbraw/zinc/06/70/28/979067028.db2.gz ODLHAAVYNOSOMO-AWEZNQCLSA-N -1 0 380.444 3.443 20 30 GGEDRM N#Cc1ccc(N2CCN([C@H](C(=O)[O-])c3cc(Cl)cc(Cl)c3)CC2)nc1 ZINC000833073670 979077535 /nfs/dbraw/zinc/07/75/35/979077535.db2.gz UJAWSFXGUGCLFB-KRWDZBQOSA-N -1 0 391.258 3.208 20 30 GGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)c1ccc2c(c1)CCC(=O)N2C ZINC000833379996 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ZINC001588367733 983300931 /nfs/dbraw/zinc/30/09/31/983300931.db2.gz AXUOQNSQDXNRHT-CQSZACIVSA-N -1 0 396.468 3.209 20 30 GGEDRM C#C[C@@H](NC(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1)c1ccc(Cl)cc1F ZINC001588372132 983327799 /nfs/dbraw/zinc/32/77/99/983327799.db2.gz DONXNECRESWAHK-SMNXXWJPSA-N -1 0 378.831 3.440 20 30 GGEDRM C#C[C@@H](NC(=O)N1CCc2c(C(=O)[O-])ccc(OC)c2C1)c1ccc(Cl)cc1 ZINC001588372123 983327889 /nfs/dbraw/zinc/32/78/89/983327889.db2.gz DMNWNNGORDMFFJ-GOSISDBHSA-N -1 0 398.846 3.489 20 30 GGEDRM C#C[C@@H](NC(=O)N1CCN(c2ccc(C(=O)[O-])cc2)C[C@@H]1C)c1ccc(F)cc1 ZINC001588372822 983334031 /nfs/dbraw/zinc/33/40/31/983334031.db2.gz TZLLMHDGIBDYEL-MGPUTAFESA-N -1 0 395.434 3.119 20 30 GGEDRM C#C[C@H](NC(=O)N1Cc2sc(C(=O)[O-])c(Br)c2C1)C(C)(C)C ZINC001588373030 983336228 /nfs/dbraw/zinc/33/62/28/983336228.db2.gz YKPGAVHFDJDQGU-JTQLQIEISA-N -1 0 385.283 3.282 20 30 GGEDRM C#C[C@H](NC(=O)Nc1cccc(OCC(=O)[O-])c1)c1ccc(Cl)cc1F ZINC001588373510 983338731 /nfs/dbraw/zinc/33/87/31/983338731.db2.gz GGHYNDIZCPTQAD-INIZCTEOSA-N -1 0 376.771 3.439 20 30 GGEDRM C#C[C@H](NC(=O)Nc1nc(CCC(=O)[O-])cs1)c1ccc(Cl)cc1F ZINC001588373574 983339261 /nfs/dbraw/zinc/33/92/61/983339261.db2.gz HSRDNYUMFBLSSE-ZDUSSCGKSA-N -1 0 381.816 3.449 20 30 GGEDRM C#C[C@@H](NC(=O)NCc1ccc(C(=O)[O-])s1)c1ccc(Br)cc1 ZINC001588373717 983339280 /nfs/dbraw/zinc/33/92/80/983339280.db2.gz JFIQZBRFOBBDRX-CYBMUJFWSA-N -1 0 393.262 3.383 20 30 GGEDRM C#C[C@H](Nc1nc(C(=O)[O-])ccc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC001588375611 983345916 /nfs/dbraw/zinc/34/59/16/983345916.db2.gz CZFIXVADJBGYBL-NSHDSACASA-N -1 0 376.166 3.237 20 30 GGEDRM C#C[C@@H](NS(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1)c1ccc(Cl)cc1F ZINC001588375744 983347026 /nfs/dbraw/zinc/34/70/26/983347026.db2.gz HHPXMTKAPYXIME-JSNVTFDYSA-N -1 0 393.823 3.230 20 30 GGEDRM C#C[C@H](NS(=O)(=O)c1cccc(C(=O)[O-])c1C)c1ccc(Cl)cc1F ZINC001588376537 983351805 /nfs/dbraw/zinc/35/18/05/983351805.db2.gz VBJHIOBPSQGVDR-HNNXBMFYSA-N -1 0 381.812 3.139 20 30 GGEDRM C#C[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])c(C)cc1F)c1ccc(Cl)cc1F ZINC001588376601 983352616 /nfs/dbraw/zinc/35/26/16/983352616.db2.gz FGUNRRXHEZKEEF-OAHLLOKOSA-N -1 0 399.802 3.278 20 30 GGEDRM C#C[C@H](NS(=O)(=O)c1cc(C(=O)[O-])c(C)cc1F)c1ccc(Cl)cc1F ZINC001588376597 983352807 /nfs/dbraw/zinc/35/28/07/983352807.db2.gz FGUNRRXHEZKEEF-HNNXBMFYSA-N -1 0 399.802 3.278 20 30 GGEDRM C#C[C@H](NS(=O)(=O)CC1(C(=O)[O-])CCCCC1)c1ccc(Cl)cc1F ZINC001588376664 983353289 /nfs/dbraw/zinc/35/32/89/983353289.db2.gz FUVHESPPBGIVRD-HNNXBMFYSA-N -1 0 387.860 3.108 20 30 GGEDRM C#C[C@H](NC(=O)c1ccc(OCC(=O)[O-])c(OCC)c1)c1ccc(Cl)cc1 ZINC001588377004 983355292 /nfs/dbraw/zinc/35/52/92/983355292.db2.gz HZLOJJBNXLVBCV-INIZCTEOSA-N -1 0 387.819 3.306 20 30 GGEDRM C#CC[C@@H](CC)c1nnc(N2CCc3ccc(C(=O)[O-])nc3C2)n1CC(C)C ZINC001588389962 983389994 /nfs/dbraw/zinc/38/99/94/983389994.db2.gz GWMRUQVELFTKEX-OAHLLOKOSA-N -1 0 381.480 3.107 20 30 GGEDRM C#CC[C@H](CC)c1nnc(N2CCc3ccc(C(=O)[O-])nc3C2)n1CC(C)C ZINC001588389961 983390207 /nfs/dbraw/zinc/39/02/07/983390207.db2.gz GWMRUQVELFTKEX-HNNXBMFYSA-N -1 0 381.480 3.107 20 30 GGEDRM C#CC[C@@H](CCOC)NC(=O)Nc1cc(Br)cc(C(=O)[O-])c1C ZINC001588393587 983399325 /nfs/dbraw/zinc/39/93/25/983399325.db2.gz IJOWZSCEHYWWHT-LBPRGKRZSA-N -1 0 383.242 3.006 20 30 GGEDRM C#CC[C@H](Cc1ccccc1)NC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C ZINC001588394907 983404280 /nfs/dbraw/zinc/40/42/80/983404280.db2.gz OGIUZQOLIOQWJT-MRXNPFEDSA-N -1 0 381.388 3.358 20 30 GGEDRM C#CC[C@H](NC(=O)/C(=C\c1ccc(OC(F)F)cc1)c1ccccc1)C(=O)[O-] ZINC001588396395 983408413 /nfs/dbraw/zinc/40/84/13/983408413.db2.gz YOLYXDOSBFRILP-FDWYHIAWSA-N -1 0 385.366 3.421 20 30 GGEDRM C#CC[C@@H](NC(=O)[C@@H](Oc1ccc(F)c(Cl)c1)c1ccccc1)C(=O)[O-] ZINC001588399101 983414804 /nfs/dbraw/zinc/41/48/04/983414804.db2.gz QHOCHJPNJORDRB-SJORKVTESA-N -1 0 375.783 3.192 20 30 GGEDRM C#CC[C@H](NC(=O)c1cc(C)n(-c2ccc(Br)cc2)c1C)C(=O)[O-] ZINC001588413526 983431056 /nfs/dbraw/zinc/43/10/56/983431056.db2.gz ACCQBADOQYSAOL-INIZCTEOSA-N -1 0 389.249 3.063 20 30 GGEDRM C#CC[C@H](NC(=O)c1cc(-c2ccccc2C)nc2c1cnn2C(C)C)C(=O)[O-] ZINC001588414362 983433694 /nfs/dbraw/zinc/43/36/94/983433694.db2.gz RVMQZRNKMZCHAO-SFHVURJKSA-N -1 0 390.443 3.194 20 30 GGEDRM C#CC[C@H](NC(=O)c1ccccc1Oc1cccc(Br)c1)C(=O)[O-] ZINC001588415926 983435874 /nfs/dbraw/zinc/43/58/74/983435874.db2.gz IJEIGZFXTNGYMY-HNNXBMFYSA-N -1 0 388.217 3.448 20 30 GGEDRM C#CC[C@H](NC(=O)c1cn(-c2ccccc2)nc1-c1ccc(CC)cc1)C(=O)[O-] ZINC001588416251 983436420 /nfs/dbraw/zinc/43/64/20/983436420.db2.gz LIXNBSULFQVMDA-FQEVSTJZSA-N -1 0 387.439 3.308 20 30 GGEDRM C#CC[C@H](NS(=O)(=O)c1cc(C(=O)[O-])cc(C(F)(F)F)c1)c1ccccc1 ZINC001588424257 983454810 /nfs/dbraw/zinc/45/48/10/983454810.db2.gz TXEWHJAXRABYMT-INIZCTEOSA-N -1 0 397.374 3.447 20 30 GGEDRM C#CC[C@]1(C(=O)O[C@@H](C)c2ccc(C(=O)[O-])o2)CCCN1C(=O)OC(C)(C)C ZINC001588427630 983457070 /nfs/dbraw/zinc/45/70/70/983457070.db2.gz GRXVJDVNRYPATC-RNODOKPDSA-N -1 0 391.420 3.375 20 30 GGEDRM C#CCC1(NS(=O)(=O)c2cc(C(=O)[O-])cc(C(F)(F)F)c2)CCCCC1 ZINC001588427898 983458919 /nfs/dbraw/zinc/45/89/19/983458919.db2.gz QQBIVXZHDIGQPB-UHFFFAOYSA-N -1 0 389.395 3.408 20 30 GGEDRM C#CCCOc1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccc(OC)c(Cl)c2)cc1 ZINC001588455511 983479800 /nfs/dbraw/zinc/47/98/00/983479800.db2.gz OMPKZCGYMRWYLP-GOSISDBHSA-N -1 0 387.819 3.306 20 30 GGEDRM C#CCN(C(=O)NCCOc1ccc(C(=O)[O-])cc1)[C@@H]1CCCc2ccccc21 ZINC001588459678 983485342 /nfs/dbraw/zinc/48/53/42/983485342.db2.gz HKGQMZSLVBDRJR-OAQYLSRUSA-N -1 0 392.455 3.486 20 30 GGEDRM C#CCN([C@H]1CCCc2ccccc21)S(=O)(=O)c1cc(C(=O)[O-])oc1CC ZINC001588463560 983491440 /nfs/dbraw/zinc/49/14/40/983491440.db2.gz AQKJLSRCZYWOTJ-INIZCTEOSA-N -1 0 387.457 3.242 20 30 GGEDRM C#CCN([C@@H]1CCCc2ccccc21)S(=O)(=O)c1ccc(C(=O)[O-])c(OC)c1 ZINC001588463856 983492973 /nfs/dbraw/zinc/49/29/73/983492973.db2.gz PJQZUALXZLLDNV-LJQANCHMSA-N -1 0 399.468 3.095 20 30 GGEDRM C#CCN([C@H]1CCCc2ccccc21)S(=O)(=O)c1ccc(C)cc1C(=O)[O-] ZINC001588464107 983493227 /nfs/dbraw/zinc/49/32/27/983493227.db2.gz VOSOZEZTQNLCTE-IBGZPJMESA-N -1 0 383.469 3.395 20 30 GGEDRM C#CCN([C@@H]1CCCc2ccccc21)S(=O)(=O)c1ccc(C)cc1C(=O)[O-] ZINC001588464110 983493404 /nfs/dbraw/zinc/49/34/04/983493404.db2.gz VOSOZEZTQNLCTE-LJQANCHMSA-N -1 0 383.469 3.395 20 30 GGEDRM C#CCN(CC#C)CC(=O)Nc1scc(-c2ccccc2Cl)c1C(=O)[O-] ZINC001588464753 983494180 /nfs/dbraw/zinc/49/41/80/983494180.db2.gz IQSDCMSVEAIVSN-UHFFFAOYSA-N -1 0 386.860 3.274 20 30 GGEDRM C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1cccc(SCCC(=O)[O-])c1 ZINC001588465772 983496229 /nfs/dbraw/zinc/49/62/29/983496229.db2.gz HBVAYVGOLBYQEX-UHFFFAOYSA-N -1 0 392.477 3.062 20 30 GGEDRM C#CCN(Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1)[C@@H]1CCc2ccccc21 ZINC001588469289 983501349 /nfs/dbraw/zinc/50/13/49/983501349.db2.gz BQISSHZPUYDOAX-GOSISDBHSA-N -1 0 380.400 3.181 20 30 GGEDRM C#CCN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F ZINC001588471175 983505156 /nfs/dbraw/zinc/50/51/56/983505156.db2.gz CJWNSXXOEYBFHQ-UHFFFAOYSA-N -1 0 381.812 3.001 20 30 GGEDRM C#CCN(Cc1ccccc1)S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1C ZINC001588471555 983506514 /nfs/dbraw/zinc/50/65/14/983506514.db2.gz SXYPPIQFIRINKR-UHFFFAOYSA-N -1 0 377.849 3.171 20 30 GGEDRM C#CCOc1ccc(F)cc1NC(=O)N[C@H](C)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001588497843 983541631 /nfs/dbraw/zinc/54/16/31/983541631.db2.gz FTDVNUXIYYHJGR-RHSMWYFYSA-N -1 0 384.407 3.291 20 30 GGEDRM C#CCOc1ccc(F)cc1NC(=O)N[C@@H](C)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001588497844 983541636 /nfs/dbraw/zinc/54/16/36/983541636.db2.gz FTDVNUXIYYHJGR-WMLDXEAASA-N -1 0 384.407 3.291 20 30 GGEDRM C#CCOc1ccc(NC(=O)N2CCC(c3ncc(C(=O)[O-])s3)CC2)cc1 ZINC001588498171 983543824 /nfs/dbraw/zinc/54/38/24/983543824.db2.gz ZNVLMTMZZXTTGQ-UHFFFAOYSA-N -1 0 385.445 3.265 20 30 GGEDRM C#CCOc1ccc(Br)cc1CNc1cccc(CC(=O)[O-])n1 ZINC001588498696 983544161 /nfs/dbraw/zinc/54/41/61/983544161.db2.gz CERRAZNKXDPWNW-UHFFFAOYSA-N -1 0 375.222 3.095 20 30 GGEDRM C#CCOc1cc(F)ccc1NC(=O)N1CC[C@@](C(=O)[O-])(c2ccccc2)C1 ZINC001588499045 983544560 /nfs/dbraw/zinc/54/45/60/983544560.db2.gz LOFAVEUGQLKYAJ-NRFANRHFSA-N -1 0 382.391 3.098 20 30 GGEDRM C#CCOc1cc(F)ccc1NC(=O)N[C@H](C)c1ccc(OCC(=O)[O-])cc1 ZINC001588499258 983545116 /nfs/dbraw/zinc/54/51/16/983545116.db2.gz SFVKIGLRTAEQAM-CYBMUJFWSA-N -1 0 386.379 3.184 20 30 GGEDRM C#CCOc1ccc(C(=O)N[C@H](C[C@H]2CCCc3ccccc32)C(=O)[O-])cc1 ZINC001588499287 983545406 /nfs/dbraw/zinc/54/54/06/983545406.db2.gz VIPOEKZPMOTNQW-WIYYLYMNSA-N -1 0 377.440 3.392 20 30 GGEDRM C#CCOc1cc(F)ccc1NC(=O)N[C@@](C)(CC(=O)[O-])c1cccc(F)c1 ZINC001588499308 983545503 /nfs/dbraw/zinc/54/55/03/983545503.db2.gz WUJZQBBFDXNSNT-FQEVSTJZSA-N -1 0 388.370 3.488 20 30 GGEDRM C#CCOc1ccccc1NC(=O)Nc1ccc(C(=O)[O-])cc1OCCOC ZINC001588504624 983548212 /nfs/dbraw/zinc/54/82/12/983548212.db2.gz FVUDEZIXOQHLFB-UHFFFAOYSA-N -1 0 384.388 3.066 20 30 GGEDRM C#CCOc1cccc(NC(=O)N[C@@](C)(CC(=O)[O-])c2cccc(OC)c2)c1 ZINC001588504521 983548282 /nfs/dbraw/zinc/54/82/82/983548282.db2.gz ZIAOOBCHGMGTPB-NRFANRHFSA-N -1 0 382.416 3.219 20 30 GGEDRM C#CCOc1ccccc1NC(=O)N[C@@](C)(CC(=O)[O-])c1cccc(OC)c1 ZINC001588504669 983548639 /nfs/dbraw/zinc/54/86/39/983548639.db2.gz HZWMNRWVPGOYIW-NRFANRHFSA-N -1 0 382.416 3.219 20 30 GGEDRM C#CCSCC(=O)N1CCCc2cccc(OCc3occc3C(=O)[O-])c21 ZINC001588504860 983549330 /nfs/dbraw/zinc/54/93/30/983549330.db2.gz NTOSKEWEEOLHAU-UHFFFAOYSA-N -1 0 385.441 3.202 20 30 GGEDRM C#Cc1ccc(C(=O)N(C(C)C)[C@@H](C)C(=O)Nc2c(C)csc2C(=O)[O-])cn1 ZINC001588510255 983554803 /nfs/dbraw/zinc/55/48/03/983554803.db2.gz BQVPBEKRFIHPRO-ZDUSSCGKSA-N -1 0 399.472 3.009 20 30 GGEDRM C#Cc1ccc(CNC(=O)Nc2ccc(OCC(=O)[O-])c3ncccc23)cc1 ZINC001588516843 983562659 /nfs/dbraw/zinc/56/26/59/983562659.db2.gz DQLIHSLLCLKMNQ-UHFFFAOYSA-N -1 0 375.384 3.001 20 30 GGEDRM C#Cc1ccc(NC(=O)[C@H](CCC(=O)[O-])NC(=O)OC(C)(C)C)c(Cl)c1 ZINC001588517067 983563144 /nfs/dbraw/zinc/56/31/44/983563144.db2.gz JMFNSIGEUFXCEA-AWEZNQCLSA-N -1 0 380.828 3.018 20 30 GGEDRM C#Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)[O-])c2ccc(C(C)(C)C)cc2)cc1 ZINC001588517732 983566510 /nfs/dbraw/zinc/56/65/10/983566510.db2.gz GRSKPXPXJICXDF-IBGZPJMESA-N -1 0 385.485 3.460 20 30 GGEDRM C#Cc1ccc(S(=O)(=O)NC[C@@H](Cc2ccc3ccccc3c2)C(=O)[O-])cc1 ZINC001588518252 983569096 /nfs/dbraw/zinc/56/90/96/983569096.db2.gz XUSWHPGXFFFCQP-HXUWFJFHSA-N -1 0 393.464 3.043 20 30 GGEDRM C#Cc1cccc(N(CC(=O)Nc2cccc(C(=O)[O-])n2)Cc2ccccc2)c1 ZINC001588522286 983570280 /nfs/dbraw/zinc/57/02/80/983570280.db2.gz NTFVEGHMLSRHIT-UHFFFAOYSA-N -1 0 385.423 3.406 20 30 GGEDRM C#Cc1cccc(N(C(C)C)S(=O)(=O)c2ccc(CC(=O)[O-])c(F)c2)c1 ZINC001588522333 983570658 /nfs/dbraw/zinc/57/06/58/983570658.db2.gz QKBUHAMBRDMDKB-UHFFFAOYSA-N -1 0 375.421 3.038 20 30 GGEDRM C#Cc1cccc(N(Cc2ccccc2)S(=O)(=O)c2cc(C(=O)[O-])cn2C)c1 ZINC001588523443 983572368 /nfs/dbraw/zinc/57/23/68/983572368.db2.gz KNKVWDRTJSWEID-UHFFFAOYSA-N -1 0 394.452 3.100 20 30 GGEDRM C#Cc1cccc(N(Cc2cccs2)S(=O)(=O)C2(C(=O)[O-])CCC2)c1 ZINC001588523732 983573286 /nfs/dbraw/zinc/57/32/86/983573286.db2.gz WURBNBXFZHGERK-UHFFFAOYSA-N -1 0 375.471 3.073 20 30 GGEDRM C#Cc1ccccc1CC(=O)N[C@@](C)(C(=O)[O-])c1cccc(Br)c1 ZINC001588524702 983576171 /nfs/dbraw/zinc/57/61/71/983576171.db2.gz ROXWUICBVLXZHS-LJQANCHMSA-N -1 0 386.245 3.089 20 30 GGEDRM C=C(C)[C@H](CC(=O)N[C@@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)[O-])OCC ZINC001588529809 983582428 /nfs/dbraw/zinc/58/24/28/983582428.db2.gz HBLOEQKDXMMBQD-GJZGRUSLSA-N -1 0 389.370 3.068 20 30 GGEDRM C=C(C)[C@@H](CC(=O)N[C@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)[O-])OCC ZINC001588529810 983582449 /nfs/dbraw/zinc/58/24/49/983582449.db2.gz HBLOEQKDXMMBQD-HUUCEWRRSA-N -1 0 389.370 3.068 20 30 GGEDRM C=C(C)[C@@H](NC(=O)C(=O)Nc1sccc1C(=O)[O-])c1ccc(F)c(F)c1 ZINC001588533917 983584741 /nfs/dbraw/zinc/58/47/41/983584741.db2.gz CJGYZCLRWSOJTI-CYBMUJFWSA-N -1 0 380.372 3.097 20 30 GGEDRM C=C(C)[C@@H](NS(=O)(=O)Cc1cccc(C(=O)[O-])c1)c1ccc(F)c(F)c1 ZINC001588534004 983584953 /nfs/dbraw/zinc/58/49/53/983584953.db2.gz DBTUENNHVBCYPR-QGZVFWFLSA-N -1 0 381.400 3.400 20 30 GGEDRM C=C(C)C[C@@H](NC(=O)C[C@H](O)c1ccc(OCc2ccccc2)cc1)C(=O)[O-] ZINC001588540465 983603906 /nfs/dbraw/zinc/60/39/06/983603906.db2.gz GTYVAEYBLAAOAS-UXHICEINSA-N -1 0 383.444 3.225 20 30 GGEDRM C=C(C)C[C@H](NC(=O)C[C@@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C(=O)[O-] ZINC001588541364 983607107 /nfs/dbraw/zinc/60/71/07/983607107.db2.gz XRXUPELNDXBPDP-OAGGEKHMSA-N -1 0 382.501 3.195 20 30 GGEDRM C=C(C)C[C@@H](NC(=O)Cc1ccc2c(c1)N(C(=O)OC(C)(C)C)CC2)C(=O)[O-] ZINC001588542605 983609189 /nfs/dbraw/zinc/60/91/89/983609189.db2.gz NFMQUAMMWOYDRK-MRXNPFEDSA-N -1 0 388.464 3.062 20 30 GGEDRM C=C(C)C[C@H](NC(=O)Cn1c2ccccc2nc1-c1scnc1C)C(=O)[O-] ZINC001588543286 983611219 /nfs/dbraw/zinc/61/12/19/983611219.db2.gz FKVAYCQAENYCIE-AWEZNQCLSA-N -1 0 384.461 3.004 20 30 GGEDRM C=C(C)C[C@@H](NC(=O)c1cc(Br)ccc1Br)C(=O)[O-] ZINC001588543987 983612926 /nfs/dbraw/zinc/61/29/26/983612926.db2.gz RKTYALASHSRSEU-LLVKDONJSA-N -1 0 391.059 3.361 20 30 GGEDRM C=C(C)C[C@@H](NC(=O)c1ccc(Sc2ccccc2Cl)nn1)C(=O)[O-] ZINC001588546539 983615860 /nfs/dbraw/zinc/61/58/60/983615860.db2.gz NBVPSVMFMOXMTI-CYBMUJFWSA-N -1 0 377.853 3.430 20 30 GGEDRM CCN(CC(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1)Cc1ccccc1Cl ZINC001596228061 983618956 /nfs/dbraw/zinc/61/89/56/983618956.db2.gz BSVCXVPSSFUKCS-IBGZPJMESA-N -1 0 386.835 3.403 20 30 GGEDRM CCN(CC(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1)Cc1ccccc1Cl ZINC001596228062 983619202 /nfs/dbraw/zinc/61/92/02/983619202.db2.gz BSVCXVPSSFUKCS-LJQANCHMSA-N -1 0 386.835 3.403 20 30 GGEDRM C=C(C)C[C@@H](NC(=O)c1nnn(-c2ccc(-c3ccccc3)cc2)c1C)C(=O)[O-] ZINC001588547746 983621537 /nfs/dbraw/zinc/62/15/37/983621537.db2.gz MJKRVNJQBKBORR-LJQANCHMSA-N -1 0 390.443 3.392 20 30 GGEDRM C=C(C)C[C@H](NC(=O)c1cnn(-c2cccc(Br)c2)c1C)C(=O)[O-] ZINC001588549043 983626304 /nfs/dbraw/zinc/62/63/04/983626304.db2.gz WNGXECCEJOWBLZ-HNNXBMFYSA-N -1 0 392.253 3.092 20 30 GGEDRM C=C(C)C[C@@H](NC(=O)c1cccc2c1CCN(C(=O)OC(C)(C)C)C2)C(=O)[O-] ZINC001588549237 983626477 /nfs/dbraw/zinc/62/64/77/983626477.db2.gz 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C=C(C)Cn1c(-c2cccc(C(F)(F)F)c2)nnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001588578359 983657726 /nfs/dbraw/zinc/65/77/26/983657726.db2.gz DXVWIMFLZPWUOG-CYBMUJFWSA-N -1 0 380.370 3.451 20 30 GGEDRM C=C(C)Cn1c(-c2cnoc2-c2ccoc2)nnc1N1CC[C@@](C)(C(=O)[O-])C1 ZINC001588578362 983658148 /nfs/dbraw/zinc/65/81/48/983658148.db2.gz DXYBCXCUCSTAHF-LJQANCHMSA-N -1 0 383.408 3.070 20 30 GGEDRM C=C(C)Cn1c(-c2ccc(C)nc2C)nnc1N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001588578445 983658598 /nfs/dbraw/zinc/65/85/98/983658598.db2.gz HSNRUXMLYFDPBR-ZWKOTPCHSA-N -1 0 381.480 3.080 20 30 GGEDRM C=C(C)Cn1c(-c2ccsc2)nnc1N1CCc2ccc(C(=O)[O-])nc2C1 ZINC001588578689 983659413 /nfs/dbraw/zinc/65/94/13/983659413.db2.gz NJKPBXCQTLRLTI-UHFFFAOYSA-N -1 0 381.461 3.239 20 30 GGEDRM C=C(C)Cn1c(-c2coc(C#N)c2)nnc1N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC001588578680 983659447 /nfs/dbraw/zinc/65/94/47/983659447.db2.gz MYQDDSCJMIEMKK-OAHLLOKOSA-N -1 0 383.452 3.313 20 30 GGEDRM C=C(C)Cn1c(-c2cccc(CO)c2)nnc1N1CCC[C@@H](CCC(=O)[O-])C1 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GGEDRM C=C(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCc2ccc(C(=O)[O-])cc2C1 ZINC001588591522 983673362 /nfs/dbraw/zinc/67/33/62/983673362.db2.gz KEJZCMIYJXHKFD-SFHVURJKSA-N -1 0 382.464 3.357 20 30 GGEDRM C=C(C)Cn1c([C@@H](O)C2CCCC2)nnc1N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001588591932 983674673 /nfs/dbraw/zinc/67/46/73/983674673.db2.gz OQXMQQMDDLRENN-YJBOKZPZSA-N -1 0 376.501 3.159 20 30 GGEDRM C=C(C)Cn1c([C@H](O)CC(C)C)nnc1N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC001588592398 983677608 /nfs/dbraw/zinc/67/76/08/983677608.db2.gz XMZMCQDRUHTMHX-HZPDHXFCSA-N -1 0 378.517 3.261 20 30 GGEDRM C=C(C)Cn1c([C@@H](O)CC(C)C)nnc1N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC001588592396 983677705 /nfs/dbraw/zinc/67/77/05/983677705.db2.gz XMZMCQDRUHTMHX-CVEARBPZSA-N -1 0 378.517 3.261 20 30 GGEDRM C=C(C)Cn1c([C@H]2C[C@H]2OCCCC)nnc1N1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC001588592511 983677975 /nfs/dbraw/zinc/67/79/75/983677975.db2.gz ZNSNEAHQUSVPRY-LTIDMASMSA-N -1 0 376.501 3.074 20 30 GGEDRM C=C(C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC[C@@H](C(=O)[O-])C1 ZINC001588597408 983679317 /nfs/dbraw/zinc/67/93/17/983679317.db2.gz GDCPAJNZGKUUIK-CQSZACIVSA-N -1 0 390.871 3.388 20 30 GGEDRM C=C(C)Cn1c(CSc2ccccc2OC)nnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001588597743 983680685 /nfs/dbraw/zinc/68/06/85/983680685.db2.gz KHGWTKKJGGZKBO-CQSZACIVSA-N -1 0 388.493 3.066 20 30 GGEDRM C=C(C)Cn1c(N2C[C@@H](C)[C@H](CC(=O)[O-])C2)nnc1[C@@]1(C#N)CC12CCCC2 ZINC001588598459 983683792 /nfs/dbraw/zinc/68/37/92/983683792.db2.gz CPUXQMMATHAUAE-ZOCZFRKYSA-N -1 0 383.496 3.127 20 30 GGEDRM C=C(C)Cn1c(N2CCOc3cc(C(=O)[O-])ccc3C2)nnc1C(C)(F)F ZINC001588598789 983686027 /nfs/dbraw/zinc/68/60/27/983686027.db2.gz OAMXAGNUXUDJHR-UHFFFAOYSA-N -1 0 378.379 3.063 20 30 GGEDRM C=C(C)Cn1c(Cc2ccccn2)nnc1N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC001588598779 983686045 /nfs/dbraw/zinc/68/60/45/983686045.db2.gz NRHXOLWZANQNGP-MRXNPFEDSA-N -1 0 383.496 3.167 20 30 GGEDRM C=C(C)Cn1c([C@@H]2C[C@H]2c2ccccn2)nnc1N1C[C@H](C)[C@@](C)(C(=O)[O-])C1 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NDAMLHROHMCGTN-UHFFFAOYSA-N -1 0 380.485 3.190 20 30 GGEDRM C=C(CCC(=O)[O-])C(=O)NC[C@@H](Cc1ccccc1)N(C)C(=O)OC(C)(C)C ZINC001588623409 983727597 /nfs/dbraw/zinc/72/75/97/983727597.db2.gz PGLHYPZEHASGNR-QGZVFWFLSA-N -1 0 390.480 3.002 20 30 GGEDRM C=C(CCC(=O)[O-])C(=O)NCC[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC001588624282 983731220 /nfs/dbraw/zinc/73/12/20/983731220.db2.gz DCSDVEDRKHAWNS-KRWDZBQOSA-N -1 0 390.480 3.050 20 30 GGEDRM C=C(CCC(=O)[O-])C(=O)NCC1(c2cccc(Br)c2)CCOCC1 ZINC001588624731 983734323 /nfs/dbraw/zinc/73/43/23/983734323.db2.gz UUOXJOIGIKETJQ-UHFFFAOYSA-N -1 0 396.281 3.035 20 30 GGEDRM C=C(CCC(=O)OC)C(=O)N1CCC(c2c[nH]c3ccc(C(=O)[O-])cc32)CC1 ZINC001588633382 983749092 /nfs/dbraw/zinc/74/90/92/983749092.db2.gz METVBTDSHNOODM-UHFFFAOYSA-N -1 0 384.432 3.082 20 30 GGEDRM C=C(CNS(=O)(=O)c1cccc(C(=O)[O-])c1Br)c1ccccc1 ZINC001588637621 983760587 /nfs/dbraw/zinc/76/05/87/983760587.db2.gz SDARYVGQNCVETG-UHFFFAOYSA-N -1 0 396.262 3.139 20 30 GGEDRM C=C(CNS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1OC)c1ccccc1 ZINC001588637947 983761960 /nfs/dbraw/zinc/76/19/60/983761960.db2.gz ZMVMUUULQPJGPW-UHFFFAOYSA-N -1 0 381.837 3.039 20 30 GGEDRM C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(CC(=O)[O-])c1ccccc1 ZINC001588641665 983762771 /nfs/dbraw/zinc/76/27/71/983762771.db2.gz HVDAPPFYIWEMCQ-AWEZNQCLSA-N -1 0 382.844 3.140 20 30 GGEDRM C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2c1cccc2C(=O)[O-] ZINC001588641783 983763236 /nfs/dbraw/zinc/76/32/36/983763236.db2.gz ISTKBPNNOLISIT-CQSZACIVSA-N -1 0 394.855 3.310 20 30 GGEDRM C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(CC(=O)[O-])C1CCCCC1 ZINC001588641989 983763602 /nfs/dbraw/zinc/76/36/02/983763602.db2.gz NWUGHMMGWJEEHV-AWEZNQCLSA-N -1 0 388.892 3.268 20 30 GGEDRM C=C(Cl)Cn1c(-c2cccc3cccnc32)nnc1N1CC[C@H](C(=O)[O-])C1 ZINC001588643248 983765557 /nfs/dbraw/zinc/76/55/57/983765557.db2.gz BHWYFNQUZKVHES-AWEZNQCLSA-N -1 0 383.839 3.157 20 30 GGEDRM C=C(Cl)CSc1nc(C)c(CC(=O)N[C@@H](C(=O)[O-])[C@H](C)CC)s1 ZINC001588643684 983767344 /nfs/dbraw/zinc/76/73/44/983767344.db2.gz RKTMGAQQXYEHJC-AMIZOPFISA-N -1 0 376.931 3.454 20 30 GGEDRM C=CC(C)(C)CCNC(=O)N1CCN([C@@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC001588677083 983832839 /nfs/dbraw/zinc/83/28/39/983832839.db2.gz ORIBZXKOJYVMMB-QGZVFWFLSA-N -1 0 393.915 3.395 20 30 GGEDRM C=CC(C)(C)CCCNS(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC001588677170 983833950 /nfs/dbraw/zinc/83/39/50/983833950.db2.gz VSMBGFJAQLADKS-UHFFFAOYSA-N -1 0 396.328 3.480 20 30 GGEDRM CCN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(C#N)cc1C(=O)[O-] ZINC001596359420 983834222 /nfs/dbraw/zinc/83/42/22/983834222.db2.gz HZWZQYFMIUKOFU-UHFFFAOYSA-N -1 0 378.837 3.121 20 30 GGEDRM C=CC(C)(C)NS(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Br ZINC001588681211 983838172 /nfs/dbraw/zinc/83/81/72/983838172.db2.gz QQIWEROYUMUYHI-UHFFFAOYSA-N -1 0 382.663 3.044 20 30 GGEDRM C=CC1(CC(=O)N(C)Cc2ccc(C(=O)[O-])cc2)CN(C(=O)OC(C)(C)C)C1 ZINC001588714710 983952807 /nfs/dbraw/zinc/95/28/07/983952807.db2.gz LIXDBSKYDZIPOY-UHFFFAOYSA-N -1 0 388.464 3.156 20 30 GGEDRM C=CC1(CC(=O)N(C)[C@H](C(=O)[O-])c2ccccc2)CN(C(=O)OC(C)(C)C)C1 ZINC001588715065 983954520 /nfs/dbraw/zinc/95/45/20/983954520.db2.gz TUMGUEKBKXCBNJ-KRWDZBQOSA-N -1 0 388.464 3.084 20 30 GGEDRM C=C[C@@H](Sc1nnc([C@@H](CC)N(C)C)n1-c1ccc(OC)cc1)C(=O)[O-] ZINC001588715037 983954655 /nfs/dbraw/zinc/95/46/55/983954655.db2.gz SBOZZJDIJLBAPQ-HUUCEWRRSA-N -1 0 376.482 3.020 20 30 GGEDRM C=CC[C@H](NC(=O)N[C@@H]1CCSC2(CC(C(=O)[O-])C2)C1)c1ccncc1 ZINC001588742434 984032457 /nfs/dbraw/zinc/03/24/57/984032457.db2.gz CVVWDJJBUAKPAP-BHEGOAEISA-N -1 0 375.494 3.127 20 30 GGEDRM C=CCC(F)(F)C(=O)N1C[C@@H](c2ccc(Br)cc2)[C@H](C(=O)[O-])C1 ZINC001588743276 984037198 /nfs/dbraw/zinc/03/71/98/984037198.db2.gz VYWHVLRGYOZYCV-QWHCGFSZSA-N -1 0 388.208 3.287 20 30 GGEDRM C=CC[C@H](Cc1ccccc1)NC(=O)N1CCOc2cc(C(=O)[O-])ccc2C1 ZINC001588743733 984039329 /nfs/dbraw/zinc/03/93/29/984039329.db2.gz CHUDYRZUWITACD-LJQANCHMSA-N -1 0 380.444 3.476 20 30 GGEDRM C=CC[C@H](Cc1ccccc1)NC(=O)Nc1ccc(C(=O)NCCC(=O)[O-])cc1 ZINC001588743864 984039901 /nfs/dbraw/zinc/03/99/01/984039901.db2.gz DSNZZKFKFRHJIH-LJQANCHMSA-N -1 0 395.459 3.200 20 30 GGEDRM C=CC[C@H](Cc1ccccc1)NC(=O)NCCc1ccc(C(=O)[O-])cc1OC ZINC001588744556 984043112 /nfs/dbraw/zinc/04/31/12/984043112.db2.gz OQGRULALUWGRLQ-LJQANCHMSA-N -1 0 382.460 3.423 20 30 GGEDRM C=CC[C@@H](Cc1ccccc1)NC(=O)NCCc1ccc(C(=O)[O-])cc1OC ZINC001588744555 984043248 /nfs/dbraw/zinc/04/32/48/984043248.db2.gz OQGRULALUWGRLQ-IBGZPJMESA-N -1 0 382.460 3.423 20 30 GGEDRM C=CC[C@H](Cn1c(C(C)C)nnc1N1C[C@@H](CC(=O)[O-])[C@H](O)C1)c1ccccc1 ZINC001588745091 984048921 /nfs/dbraw/zinc/04/89/21/984048921.db2.gz VEQHHUPOPPTBDL-GUDVDZBRSA-N -1 0 398.507 3.033 20 30 GGEDRM C=CC[C@@H](OC(=O)C1CCN(C(=O)c2cccc3ccccc32)CC1)C(=O)[O-] ZINC001588753464 984086290 /nfs/dbraw/zinc/08/62/90/984086290.db2.gz HWPQAGRADFSPOM-LJQANCHMSA-N -1 0 381.428 3.265 20 30 GGEDRM C=CC[C@@]1(C(=O)NCC2(C(=O)[O-])CCCC2)CCCN1C(=O)OC(C)(C)C ZINC001588762033 984114810 /nfs/dbraw/zinc/11/48/10/984114810.db2.gz FTMYGAKASQRWAS-FQEVSTJZSA-N -1 0 380.485 3.093 20 30 GGEDRM C=CC[C@]1(C(=O)NC[C@@H](CC(C)C)C(=O)[O-])CCCN1C(=O)OC(C)(C)C ZINC001588761995 984114825 /nfs/dbraw/zinc/11/48/25/984114825.db2.gz DWQJCXZZOHJGQH-FOIQADDNSA-N -1 0 382.501 3.195 20 30 GGEDRM C=CC[C@@]1(C(=O)N[C@@H]2CCC[C@H]2CC(=O)[O-])CCCN1C(=O)OC(C)(C)C ZINC001588764456 984121421 /nfs/dbraw/zinc/12/14/21/984121421.db2.gz AGZQRFDCBNJQRY-MDOVXXIYSA-N -1 0 380.485 3.092 20 30 GGEDRM C=CC[C@]1(C(=O)Nc2ncc(C(=O)[O-])s2)CCCN1C(=O)OC(C)(C)C ZINC001588764535 984122015 /nfs/dbraw/zinc/12/20/15/984122015.db2.gz DBAMADACHVVXTQ-QGZVFWFLSA-N -1 0 381.454 3.126 20 30 GGEDRM C=CC[C@@]1(C(=O)Nc2ncc(C(=O)[O-])s2)CCCN1C(=O)OC(C)(C)C ZINC001588764534 984122299 /nfs/dbraw/zinc/12/22/99/984122299.db2.gz DBAMADACHVVXTQ-KRWDZBQOSA-N -1 0 381.454 3.126 20 30 GGEDRM C=CC[C@@]1(C(=O)Nc2nc(C)c(C(=O)[O-])s2)CCCN1C(=O)OC(C)(C)C ZINC001588764658 984122779 /nfs/dbraw/zinc/12/27/79/984122779.db2.gz FSIIMWFQMAUSSF-SFHVURJKSA-N -1 0 395.481 3.434 20 30 GGEDRM C=CC[C@]1(C(=O)NCc2cc(C(=O)[O-])c(C)o2)CCCN1C(=O)OC(C)(C)C ZINC001588765058 984124702 /nfs/dbraw/zinc/12/47/02/984124702.db2.gz PIRTZXUAOAVOGU-HXUWFJFHSA-N -1 0 392.452 3.248 20 30 GGEDRM C=CCCC(C)(C)NS(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F ZINC001588778240 984160258 /nfs/dbraw/zinc/16/02/58/984160258.db2.gz YRSXLCVISXOHLA-UHFFFAOYSA-N -1 0 394.262 3.310 20 30 GGEDRM C=CCC[C@@H](NC(=O)N1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1)c1ccccc1 ZINC001588778593 984161426 /nfs/dbraw/zinc/16/14/26/984161426.db2.gz GCYXUHCHFSMNOH-IAGOWNOFSA-N -1 0 383.452 3.030 20 30 GGEDRM C=CCC[C@H](NS(=O)(=O)c1ccc(CC(=O)[O-])c(F)c1)c1ccccc1 ZINC001588779041 984164205 /nfs/dbraw/zinc/16/42/05/984164205.db2.gz RDUHYPKTXUBXER-SFHVURJKSA-N -1 0 377.437 3.439 20 30 GGEDRM C=CCC[C@@H](NS(=O)(=O)c1cc(OC)ccc1C(=O)[O-])c1ccccc1 ZINC001588779422 984165774 /nfs/dbraw/zinc/16/57/74/984165774.db2.gz XPLQYXJSVQWHBT-QGZVFWFLSA-N -1 0 375.446 3.379 20 30 GGEDRM C=CCCC1(CNS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2OC)CCCC1 ZINC001588781798 984168296 /nfs/dbraw/zinc/16/82/96/984168296.db2.gz HQEYTWQBBHXEKL-UHFFFAOYSA-N -1 0 385.457 3.337 20 30 GGEDRM C=CCC[C@@H]1CCCN1S(=O)(=O)c1cc(C(=O)[O-])ccc1Br ZINC001588782268 984171157 /nfs/dbraw/zinc/17/11/57/984171157.db2.gz SOHRQZDDJDVYMN-GFCCVEGCSA-N -1 0 388.283 3.267 20 30 GGEDRM C=CCCC[C@@H](NC(=O)[C@H](C)Oc1ccc(F)cc1Br)C(=O)[O-] ZINC001588785033 984179269 /nfs/dbraw/zinc/17/92/69/984179269.db2.gz FFHWZGVKFUUHBB-GXFFZTMASA-N -1 0 388.233 3.281 20 30 GGEDRM C=CCCC[C@H](NC(=O)[C@@H](C)Oc1ccc(F)cc1Br)C(=O)[O-] ZINC001588785035 984179274 /nfs/dbraw/zinc/17/92/74/984179274.db2.gz FFHWZGVKFUUHBB-MFKMUULPSA-N -1 0 388.233 3.281 20 30 GGEDRM C=CCCC[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1C)C(=O)[O-] ZINC001588785397 984180176 /nfs/dbraw/zinc/18/01/76/984180176.db2.gz GFOZRUAJWIPYAL-SJORKVTESA-N -1 0 390.480 3.487 20 30 GGEDRM C=CCCC[C@@H](C)NS(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F ZINC001588786222 984183864 /nfs/dbraw/zinc/18/38/64/984183864.db2.gz NYBMBBDYCUOZHH-SECBINFHSA-N -1 0 394.262 3.310 20 30 GGEDRM C=CCCC[C@H](NC(=O)[C@]1(C)CC(c2cccc(Cl)c2F)=NO1)C(=O)[O-] ZINC001588786258 984183935 /nfs/dbraw/zinc/18/39/35/984183935.db2.gz ORUYFRRISJRZBF-UGSOOPFHSA-N -1 0 382.819 3.288 20 30 GGEDRM C=CCCC[C@@H](NC(=O)[C@@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1)C(=O)[O-] ZINC001588787271 984186261 /nfs/dbraw/zinc/18/62/61/984186261.db2.gz UXKXTBVKRBLUAD-IIBYNOLFSA-N -1 0 375.465 3.327 20 30 GGEDRM C=CCCC[C@H](NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)c2ccccc21)C(=O)[O-] ZINC001588789711 984200271 /nfs/dbraw/zinc/20/02/71/984200271.db2.gz IJBRKEHMERQFDF-HOTGVXAUSA-N -1 0 388.464 3.451 20 30 GGEDRM C=CCCC[C@H](NC(=O)[C@@H]1CCCN(C(=O)Nc2cccc(C)c2)C1)C(=O)[O-] ZINC001588789852 984201603 /nfs/dbraw/zinc/20/16/03/984201603.db2.gz LJADVWBHIDDVIP-AEFFLSMTSA-N -1 0 387.480 3.165 20 30 GGEDRM C=CCCC[C@H](NC(=O)[C@@H]1CC[C@@H](C2CC2)N1C(=O)OC(C)(C)C)C(=O)[O-] ZINC001588789872 984201709 /nfs/dbraw/zinc/20/17/09/984201709.db2.gz LTHSQCNXCSHLPA-JYJNAYRXSA-N -1 0 380.485 3.090 20 30 GGEDRM C=CCCC[C@H](NC(=O)/C=C\[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C(=O)[O-] ZINC001588790521 984206448 /nfs/dbraw/zinc/20/64/48/984206448.db2.gz XVNABXBOZSHEMX-WXJRXKGESA-N -1 0 380.485 3.115 20 30 GGEDRM C=CCCC[C@@H](NC(=O)c1ccc(CNC(=O)OC(C)(C)C)cc1)C(=O)[O-] ZINC001588792452 984209286 /nfs/dbraw/zinc/20/92/86/984209286.db2.gz HLOAIRFQUAPBAD-MRXNPFEDSA-N -1 0 376.453 3.251 20 30 GGEDRM C=CCCC[C@@H](NC(=O)c1cc(S(=O)(=O)C2CCCC2)ccc1F)C(=O)[O-] ZINC001588792488 984210148 /nfs/dbraw/zinc/21/01/48/984210148.db2.gz IOENCRGCUDQAHI-QGZVFWFLSA-N -1 0 397.468 3.081 20 30 GGEDRM C=CCCC[C@H](NC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)C(=O)[O-] ZINC001588792570 984210816 /nfs/dbraw/zinc/21/08/16/984210816.db2.gz BEPJYIKMZQTRQJ-SFHVURJKSA-N -1 0 398.459 3.155 20 30 GGEDRM C=CCCC[C@@H](NC(=O)c1ccc(C(=O)NCc2cccc(C)c2)cc1)C(=O)[O-] ZINC001588792671 984211660 /nfs/dbraw/zinc/21/16/60/984211660.db2.gz LGNDFRYVRFIZFB-HXUWFJFHSA-N -1 0 394.471 3.464 20 30 GGEDRM C=CCCC[C@H](NC(=O)c1cc(-c2c(C)nn([C@H](C)CC)c2C)n[nH]1)C(=O)[O-] ZINC001588792818 984213120 /nfs/dbraw/zinc/21/31/20/984213120.db2.gz OAAGPWPVRZDGEJ-DOMZBBRYSA-N -1 0 387.484 3.400 20 30 GGEDRM C=CCCC[C@H](NC(=O)c1ccccc1CCNC(=O)OC(C)(C)C)C(=O)[O-] ZINC001588792841 984213554 /nfs/dbraw/zinc/21/35/54/984213554.db2.gz GRCCJOHATKMCIE-KRWDZBQOSA-N -1 0 390.480 3.293 20 30 GGEDRM C=CCCC[C@@H](NC(=O)c1ccc2c(C)nn(-c3ccccc3)c2n1)C(=O)[O-] ZINC001588793008 984215095 /nfs/dbraw/zinc/21/50/95/984215095.db2.gz JWQLFYBKAJXMMV-GOSISDBHSA-N -1 0 378.432 3.268 20 30 GGEDRM C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)C1(C(=O)[O-])CCCCC1 ZINC001588793778 984221804 /nfs/dbraw/zinc/22/18/04/984221804.db2.gz ASMGNRRHCVTCEL-HNNXBMFYSA-N -1 0 382.501 3.482 20 30 GGEDRM C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(CC(=O)[O-])cc1 ZINC001588793905 984222895 /nfs/dbraw/zinc/22/28/95/984222895.db2.gz FMDXCUBEKINYHI-QGZVFWFLSA-N -1 0 390.480 3.180 20 30 GGEDRM C=CCCC[C@H](NC(=O)Cc1csc(Cc2ccc(F)cc2)n1)C(=O)[O-] ZINC001588793900 984223026 /nfs/dbraw/zinc/22/30/26/984223026.db2.gz FLQICNIPGOKDII-INIZCTEOSA-N -1 0 376.453 3.341 20 30 GGEDRM C=CCCC[C@@H](NC(=O)N1CCC[C@H](n2cc(C(=O)[O-])nn2)C1)c1ccccc1 ZINC001588794095 984224906 /nfs/dbraw/zinc/22/49/06/984224906.db2.gz LCWRUVRYEWOZKB-ZWKOTPCHSA-N -1 0 397.479 3.420 20 30 GGEDRM C=CCCC[C@@H](NC(=O)[C@@H](c1ccccc1)N1Cc2ccccc2C1=O)C(=O)[O-] ZINC001588794227 984225273 /nfs/dbraw/zinc/22/52/73/984225273.db2.gz OWDIZDBGTWHUDK-WOJBJXKFSA-N -1 0 392.455 3.309 20 30 GGEDRM C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C(=O)[O-])c1ccsc1 ZINC001588794233 984225525 /nfs/dbraw/zinc/22/55/25/984225525.db2.gz OYAGUCZKKPUJTQ-KGLIPLIRSA-N -1 0 382.482 3.240 20 30 GGEDRM C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@](C)(C(=O)[O-])c1ccccc1 ZINC001588794276 984226052 /nfs/dbraw/zinc/22/60/52/984226052.db2.gz PXGIFOYKNURJFM-HRAATJIYSA-N -1 0 390.480 3.352 20 30 GGEDRM C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@](C)(C(=O)[O-])c1ccccc1 ZINC001588794277 984226058 /nfs/dbraw/zinc/22/60/58/984226058.db2.gz PXGIFOYKNURJFM-IERDGZPVSA-N -1 0 390.480 3.352 20 30 GGEDRM C=CCCC[C@@H](NC(=O)Cn1c2ccc(OC)cc2c2c1CCCC2)C(=O)[O-] ZINC001588794322 984226334 /nfs/dbraw/zinc/22/63/34/984226334.db2.gz QZZASYIGKGDIML-GOSISDBHSA-N -1 0 384.476 3.454 20 30 GGEDRM C=CCCC[C@H](NC(=O)Cn1c2ccc(OC)cc2c2c1CCCC2)C(=O)[O-] ZINC001588794323 984226407 /nfs/dbraw/zinc/22/64/07/984226407.db2.gz QZZASYIGKGDIML-SFHVURJKSA-N -1 0 384.476 3.454 20 30 GGEDRM C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(C(=O)[O-])c1N ZINC001588794497 984227598 /nfs/dbraw/zinc/22/75/98/984227598.db2.gz WJNYUZHVYNDNIO-CQSZACIVSA-N -1 0 377.441 3.155 20 30 GGEDRM C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(CC)c1ncc(C(=O)[O-])s1 ZINC001588794453 984227691 /nfs/dbraw/zinc/22/76/91/984227691.db2.gz UUCHULGZXSGPAM-LBPRGKRZSA-N -1 0 397.497 3.444 20 30 GGEDRM C=CCCC[C@@H](NC(=O)[C@]12CCN(C(=O)OC(C)(C)C)[C@H]1CCCC2)C(=O)[O-] ZINC001588794580 984228314 /nfs/dbraw/zinc/22/83/14/984228314.db2.gz YVYNRRKYECZRQP-VWKPWSFCSA-N -1 0 394.512 3.482 20 30 GGEDRM C=CCCC[C@H](NC(=O)c1sc(C)c(Br)c1OC)C(=O)[O-] ZINC001588797457 984229626 /nfs/dbraw/zinc/22/96/26/984229626.db2.gz FEIYSBGYOJKNHK-VIFPVBQESA-N -1 0 376.272 3.367 20 30 GGEDRM C=CCCC[C@H](NC(=O)c1nn(-c2ccc(C)cc2F)c2c1CCC2)C(=O)[O-] ZINC001588797484 984229895 /nfs/dbraw/zinc/22/98/95/984229895.db2.gz GDISCZVRJSDYGQ-INIZCTEOSA-N -1 0 385.439 3.348 20 30 GGEDRM C=CCCC[C@H](NC(=O)c1nn(-c2cc(C)ccc2F)c2c1CCC2)C(=O)[O-] ZINC001588798244 984234396 /nfs/dbraw/zinc/23/43/96/984234396.db2.gz YOAOBAMRRJUHTJ-INIZCTEOSA-N -1 0 385.439 3.348 20 30 GGEDRM C=CCCC[C@@H](NC(=O)c1nc(CCC)n(-c2ccccc2Cl)n1)C(=O)[O-] ZINC001588798243 984234498 /nfs/dbraw/zinc/23/44/98/984234498.db2.gz YNJCMGVWTQOYIH-CQSZACIVSA-N -1 0 390.871 3.413 20 30 GGEDRM C=CCCC[C@H](NS(=O)(=O)c1ccc(OC)c(-c2ccccc2)c1)C(=O)[O-] ZINC001588798422 984235824 /nfs/dbraw/zinc/23/58/24/984235824.db2.gz FDFPQGZHFXEXSG-SFHVURJKSA-N -1 0 389.473 3.450 20 30 GGEDRM C=CCCCN(CC)S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1Br ZINC001588801665 984246211 /nfs/dbraw/zinc/24/62/11/984246211.db2.gz RQZGATBXTNUMEC-UHFFFAOYSA-N -1 0 394.262 3.263 20 30 GGEDRM C=CCCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@H](C(=O)[O-])C1 ZINC001588802094 984247851 /nfs/dbraw/zinc/24/78/51/984247851.db2.gz BPGWRSJANWQXDQ-YJBOKZPZSA-N -1 0 398.463 3.058 20 30 GGEDRM C=CCCCCNC(=O)N1CCN([C@@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC001588802244 984248506 /nfs/dbraw/zinc/24/85/06/984248506.db2.gz GKGPPCWGHOIIRN-QGZVFWFLSA-N -1 0 379.888 3.149 20 30 GGEDRM C=CCCCn1c(-c2cn(C)c3ccccc23)nnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001588805570 984254165 /nfs/dbraw/zinc/25/41/65/984254165.db2.gz FJUKUDNGJDZHHQ-OAHLLOKOSA-N -1 0 379.464 3.314 20 30 GGEDRM C=CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001588805688 984255136 /nfs/dbraw/zinc/25/51/36/984255136.db2.gz LNIIVVWYTFHEAE-MRXNPFEDSA-N -1 0 397.479 3.024 20 30 GGEDRM C=CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@H](C(=O)[O-])C1 ZINC001588805687 984255422 /nfs/dbraw/zinc/25/54/22/984255422.db2.gz LNIIVVWYTFHEAE-INIZCTEOSA-N -1 0 397.479 3.024 20 30 GGEDRM C=CCCCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H](C(=O)[O-])C1 ZINC001588805831 984255797 /nfs/dbraw/zinc/25/57/97/984255797.db2.gz PSOWOQUVNNOPGM-HNNXBMFYSA-N -1 0 388.443 3.263 20 30 GGEDRM C=CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](C(=O)[O-])C1 ZINC001588805971 984257432 /nfs/dbraw/zinc/25/74/32/984257432.db2.gz WEWZWINEVNILIX-AWEZNQCLSA-N -1 0 375.860 3.261 20 30 GGEDRM C=CCCN(OCc1ccccc1)S(=O)(=O)c1cc(C(=O)[O-])ccc1OC ZINC001588807202 984257956 /nfs/dbraw/zinc/25/79/56/984257956.db2.gz BYDLLHXXOSVNJL-UHFFFAOYSA-N -1 0 391.445 3.092 20 30 GGEDRM C=CCCO[C@H](C)C(=O)N(C)[C@H](C(=O)[O-])c1ccc(Br)s1 ZINC001588809053 984264700 /nfs/dbraw/zinc/26/47/00/984264700.db2.gz XFBIBOCPNJJRAD-SKDRFNHKSA-N -1 0 376.272 3.076 20 30 GGEDRM C=CCCOCC(=O)Nc1c2c(sc1C(=O)[O-])CN(C(=O)OC(C)(C)C)C2 ZINC001588810253 984265667 /nfs/dbraw/zinc/26/56/67/984265667.db2.gz GDVWQQFYRVDRFW-UHFFFAOYSA-N -1 0 396.465 3.228 20 30 GGEDRM C=CCCc1ccc(S(=O)(=O)N(C)Cc2ccc(OCC(=O)[O-])cc2)cc1 ZINC001588814525 984270923 /nfs/dbraw/zinc/27/09/23/984270923.db2.gz BMZAEHBUCCDKOH-UHFFFAOYSA-N -1 0 389.473 3.089 20 30 GGEDRM C=CCCSCCNC(=O)N1C[C@@H](c2ccc(F)cc2F)[C@H](C(=O)[O-])C1 ZINC001588814649 984272195 /nfs/dbraw/zinc/27/21/95/984272195.db2.gz JVXBKMULMGRHKB-LSDHHAIUSA-N -1 0 384.448 3.084 20 30 GGEDRM C=CCCc1ccc(S(=O)(=O)N2CC[C@@](C(=O)[O-])(c3ccccc3)C2)cc1 ZINC001588814934 984274668 /nfs/dbraw/zinc/27/46/68/984274668.db2.gz YWSYGTICNOIVFP-NRFANRHFSA-N -1 0 385.485 3.222 20 30 GGEDRM C=CCCc1ccccc1NS(=O)(=O)c1cc(COC)cc(C(=O)[O-])c1 ZINC001588817591 984276517 /nfs/dbraw/zinc/27/65/17/984276517.db2.gz OIRNRBKHBOSMSO-UHFFFAOYSA-N -1 0 375.446 3.451 20 30 GGEDRM C=CCN(C(=O)Cc1ccc(C(=O)[O-])cc1)[C@H](Cc1ccccc1)C(=O)OCC ZINC001588820490 984284862 /nfs/dbraw/zinc/28/48/62/984284862.db2.gz GIQVIYKAJYLBMP-HXUWFJFHSA-N -1 0 395.455 3.116 20 30 GGEDRM C=CCN(C(=O)c1[nH]c(C)c(C(=O)[O-])c1C)[C@@H](Cc1ccccc1)C(=O)OCC ZINC001588820776 984286412 /nfs/dbraw/zinc/28/64/12/984286412.db2.gz RERGGRIXWOVZFR-KRWDZBQOSA-N -1 0 398.459 3.132 20 30 GGEDRM C=CCN(CC(F)(F)F)S(=O)(=O)c1sc(C(=O)[O-])c(Cl)c1C ZINC001588823967 984294989 /nfs/dbraw/zinc/29/49/89/984294989.db2.gz HOOIKLIQQCLPPM-UHFFFAOYSA-N -1 0 377.793 3.147 20 30 GGEDRM C=CCN(CCC#N)C(=O)c1ccc(-n2nc(C)c(CCC(=O)[O-])c2C)cc1 ZINC001588826554 984304450 /nfs/dbraw/zinc/30/44/50/984304450.db2.gz KDKMWAOONSURKM-UHFFFAOYSA-N -1 0 380.448 3.048 20 30 GGEDRM C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001588829318 984312909 /nfs/dbraw/zinc/31/29/09/984312909.db2.gz RYICKGUSVYTLIA-LBPRGKRZSA-N -1 0 375.450 3.309 20 30 GGEDRM C=CCN(Cc1ccccc1F)S(=O)(=O)c1cc(C(=O)[O-])c(C)cc1F ZINC001588831878 984317741 /nfs/dbraw/zinc/31/77/41/984317741.db2.gz VESGKAUQZNLLJP-UHFFFAOYSA-N -1 0 381.400 3.348 20 30 GGEDRM C=CCN(Cc1ccccc1F)C(=O)C(=O)Nc1scc(C)c1C(=O)[O-] ZINC001588831937 984318723 /nfs/dbraw/zinc/31/87/23/984318723.db2.gz ZDAMYSNYPSGAEL-UHFFFAOYSA-N -1 0 376.409 3.047 20 30 GGEDRM C=CCN1C(=O)N(c2cc3[nH]ccc3c(C(=O)[O-])c2)C(=O)[C@@H]1Cc1ccccc1 ZINC001588832126 984319156 /nfs/dbraw/zinc/31/91/56/984319156.db2.gz BVLTWTSVEOTLBX-IBGZPJMESA-N -1 0 389.411 3.432 20 30 GGEDRM C=CCN(c1ncc(C(=O)[O-])s1)S(=O)(=O)CCc1cccc(Cl)c1 ZINC001588832479 984322712 /nfs/dbraw/zinc/32/27/12/984322712.db2.gz PSUCKLYLLWPHNI-UHFFFAOYSA-N -1 0 386.882 3.060 20 30 GGEDRM C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cc2c(cc1C(=O)[O-])OCO2 ZINC001588832507 984323043 /nfs/dbraw/zinc/32/30/43/984323043.db2.gz IGQKVXOPCMGIAU-UHFFFAOYSA-N -1 0 399.359 3.242 20 30 GGEDRM C=CCN(Cc1cccc(C#N)c1)Cn1nc(C(=O)[O-])c(Br)c1C ZINC001588832712 984325331 /nfs/dbraw/zinc/32/53/31/984325331.db2.gz NGTSIWDRPWBIKF-UHFFFAOYSA-N -1 0 389.253 3.170 20 30 GGEDRM C=CCNC(=O)c1ccc(NC(=O)N[C@@H](CCC(=O)[O-])Cc2ccccc2)cc1 ZINC001588844006 984355369 /nfs/dbraw/zinc/35/53/69/984355369.db2.gz MUFCYYRVISVXSV-IBGZPJMESA-N -1 0 395.459 3.200 20 30 GGEDRM C=CCNc1ncc(C(=O)NCc2ccc(C(=O)[O-])cc2Br)s1 ZINC001588849252 984369512 /nfs/dbraw/zinc/36/95/12/984369512.db2.gz GJRCWMIVQYVLIP-UHFFFAOYSA-N -1 0 396.266 3.132 20 30 GGEDRM C=CCNc1ncc(C(=O)N[C@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)s1 ZINC001588849218 984369715 /nfs/dbraw/zinc/36/97/15/984369715.db2.gz DQJJMHZKDXVKDR-LBPRGKRZSA-N -1 0 385.367 3.316 20 30 GGEDRM C=CCOC(=O)c1sc(NC(=O)C[C@H](C)CC(=O)[O-])c(C(=O)OCC)c1C ZINC001588849960 984377189 /nfs/dbraw/zinc/37/71/89/984377189.db2.gz QSSZBRZGFOYMCE-JTQLQIEISA-N -1 0 397.449 3.015 20 30 GGEDRM C=CCOC[C@H](NC(=O)CCCc1ccc2c(c1)-c1ccccc1C2)C(=O)[O-] ZINC001588853760 984385635 /nfs/dbraw/zinc/38/56/35/984385635.db2.gz HMBBNJMPAGGWBB-NRFANRHFSA-N -1 0 379.456 3.353 20 30 GGEDRM C=CCOC[C@@H](NC(=O)/C=C\c1ccc(-c2ccc(F)cc2)s1)C(=O)[O-] ZINC001588854327 984390129 /nfs/dbraw/zinc/39/01/29/984390129.db2.gz WISUKHCTGJBDTQ-SIJIIQCFSA-N -1 0 375.421 3.339 20 30 GGEDRM C=CCOC[C@H](NC(=O)[C@H]1CCCC[C@@H]1c1nc2ccccc2s1)C(=O)[O-] ZINC001588855221 984391117 /nfs/dbraw/zinc/39/11/17/984391117.db2.gz DKIOADWDUNQXJQ-DZKIICNBSA-N -1 0 388.489 3.342 20 30 GGEDRM C=CCOC[C@@H](NC(=O)c1c(C)onc1-c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC001588857427 984403548 /nfs/dbraw/zinc/40/35/48/984403548.db2.gz YYZRZJFHFZCUFP-CYBMUJFWSA-N -1 0 398.337 3.054 20 30 GGEDRM C=CCOC[C@H](NC(=O)c1cc2sc(Br)cc2s1)C(=O)[O-] ZINC001588859294 984404431 /nfs/dbraw/zinc/40/44/31/984404431.db2.gz HGLBWSBPKPZRDF-ZETCQYMHSA-N -1 0 390.280 3.111 20 30 GGEDRM C=CCOC[C@H](NC(=O)c1cc(-c2cccs2)nc2ccccc21)C(=O)[O-] ZINC001588859469 984405910 /nfs/dbraw/zinc/40/59/10/984405910.db2.gz MNRZSSCFTVEDLO-KRWDZBQOSA-N -1 0 382.441 3.349 20 30 GGEDRM C=CCOC[C@H](NC(=O)c1sc(-c2cccc(Cl)c2)nc1C)C(=O)[O-] ZINC001588859906 984409231 /nfs/dbraw/zinc/40/92/31/984409231.db2.gz AWCBYOZPBMPHKW-ZDUSSCGKSA-N -1 0 380.853 3.158 20 30 GGEDRM C=CCOC[C@@H](NC(=O)c1sc(C)cc1OCc1ccccc1)C(=O)[O-] ZINC001588860188 984411258 /nfs/dbraw/zinc/41/12/58/984411258.db2.gz LUMWQRQVKYHEIV-OAHLLOKOSA-N -1 0 375.446 3.021 20 30 GGEDRM C=CCOC[C@@H](NC(=O)c1cn(Cc2ccccc2)c2ccccc12)C(=O)[O-] ZINC001588860182 984411307 /nfs/dbraw/zinc/41/13/07/984411307.db2.gz LQGRBEHOTXVPRS-LJQANCHMSA-N -1 0 378.428 3.075 20 30 GGEDRM C=CCOC[C@H](NC(=O)c1sc(-c2ccccc2)nc1C(F)F)C(=O)[O-] ZINC001588860308 984412161 /nfs/dbraw/zinc/41/21/61/984412161.db2.gz PXOQMXYRGYOJJG-NSHDSACASA-N -1 0 382.388 3.133 20 30 GGEDRM C=CCOC[C@@H](NC(=O)c1nc(-c2ccccc2)oc1-c1ccccc1)C(=O)[O-] ZINC001588860430 984413197 /nfs/dbraw/zinc/41/31/97/984413197.db2.gz USVICBDYRUJFEL-QGZVFWFLSA-N -1 0 392.411 3.394 20 30 GGEDRM C=CCOC[C@@H](NC(=O)c1ccc2c(ccn2Cc2ccccc2)c1)C(=O)[O-] ZINC001588861708 984415939 /nfs/dbraw/zinc/41/59/39/984415939.db2.gz KRCIWCVGWXWWFF-LJQANCHMSA-N -1 0 378.428 3.075 20 30 GGEDRM C=CCOC[C@@H](NC(=O)c1ccccc1Sc1ccccc1C#N)C(=O)[O-] ZINC001588862345 984418599 /nfs/dbraw/zinc/41/85/99/984418599.db2.gz WBENBQHYKFNTFY-MRXNPFEDSA-N -1 0 382.441 3.095 20 30 GGEDRM C=CCOc1ccc(Br)cc1NC(=O)c1cccc(C(=O)[O-])n1 ZINC001588869475 984439275 /nfs/dbraw/zinc/43/92/75/984439275.db2.gz CZPGZQIDEIMVMW-UHFFFAOYSA-N -1 0 377.194 3.359 20 30 GGEDRM C=CCOc1ccc(-c2nn(CN3CC[C@@H](C(=O)[O-])[C@H]3C)c(=S)o2)cc1 ZINC001588869686 984440247 /nfs/dbraw/zinc/44/02/47/984440247.db2.gz VDVJGRFHSNAMNL-IUODEOHRSA-N -1 0 375.450 3.190 20 30 GGEDRM C=CCOc1ccc(-c2nn(CN3CC[C@H](C(=O)[O-])[C@@H]3C)c(=S)o2)cc1 ZINC001588869688 984440418 /nfs/dbraw/zinc/44/04/18/984440418.db2.gz VDVJGRFHSNAMNL-WFASDCNBSA-N -1 0 375.450 3.190 20 30 GGEDRM C=CCOc1ccc(Cn2c([C@@H](C)CC)nnc2N2CC[C@H](C(=O)[O-])C2)cc1 ZINC001588872798 984442784 /nfs/dbraw/zinc/44/27/84/984442784.db2.gz KQODXOKOJPVCSQ-RDJZCZTQSA-N -1 0 384.480 3.316 20 30 GGEDRM C=CCOc1ccc(CNC(=O)Nc2ccc(C(=O)[O-])c(C(=O)OC)c2)cc1 ZINC001588873541 984444112 /nfs/dbraw/zinc/44/41/12/984444112.db2.gz CHWJUBLXMYRZAO-UHFFFAOYSA-N -1 0 384.388 3.058 20 30 GGEDRM C=CCOc1ccc(/C=C/C(=O)N(CCC(F)(F)F)CC(=O)[O-])cc1OC ZINC001588875053 984450560 /nfs/dbraw/zinc/45/05/60/984450560.db2.gz SCUHJKWIZRXSSX-FNORWQNLSA-N -1 0 387.354 3.139 20 30 GGEDRM C=CCOc1ccc(/C=C/C(=O)NCc2ccc(C(=O)[O-])c(OC)c2)cc1OC ZINC001588875079 984451022 /nfs/dbraw/zinc/45/10/22/984451022.db2.gz UXURIURXAJVHHF-JXMROGBWSA-N -1 0 397.427 3.296 20 30 GGEDRM C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001588875122 984451058 /nfs/dbraw/zinc/45/10/58/984451058.db2.gz XBUXOSOQGROYIK-UHFFFAOYSA-N -1 0 382.338 3.101 20 30 GGEDRM C=CCOc1ccc(C=CC(=O)Nc2ccc3[nH]nc(C(=O)[O-])c3c2)cc1OC ZINC001588875141 984451165 /nfs/dbraw/zinc/45/11/65/984451165.db2.gz XWHMJYYVENCSIJ-WEVVVXLNSA-N -1 0 393.399 3.486 20 30 GGEDRM C=CCOc1ccccc1CNC(=O)N1CCOc2cc(C(=O)[O-])ccc2C1 ZINC001588877363 984452738 /nfs/dbraw/zinc/45/27/38/984452738.db2.gz JVYDQKGDTOHFTR-UHFFFAOYSA-N -1 0 382.416 3.054 20 30 GGEDRM C=CCOc1ccccc1Cn1c(C2CCCC2)nnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001588877414 984453279 /nfs/dbraw/zinc/45/32/79/984453279.db2.gz NWFOVPDWBCWYGF-GOSISDBHSA-N -1 0 396.491 3.460 20 30 GGEDRM C=CCSc1ccccc1NC(=O)CN[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001588879495 984457800 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388.367 3.171 20 30 GGEDRM CC(=O)C1=C(C(=O)[O-])N(Cc2cccs2)C(=O)N[C@H]1c1ccc2c(c1)CCC2 ZINC001589024420 985034035 /nfs/dbraw/zinc/03/40/35/985034035.db2.gz MXAOUVXTNLTOGQ-SFHVURJKSA-N -1 0 396.468 3.431 20 30 GGEDRM CC(=O)C1=C(C(=O)[O-])N(Cc2cccs2)C(=O)N[C@@H]1c1ccc(C)s1 ZINC001589024432 985034208 /nfs/dbraw/zinc/03/42/08/985034208.db2.gz NGUCOIKCZWDUOY-CQSZACIVSA-N -1 0 376.459 3.312 20 30 GGEDRM CC(=O)C1=C(C(=O)[O-])N(CC2CC2)C(=O)N[C@@H]1c1ccc(Cl)cc1Cl ZINC001589024457 985035603 /nfs/dbraw/zinc/03/56/03/985035603.db2.gz OCTASWAYISZWBI-CQSZACIVSA-N -1 0 383.231 3.397 20 30 GGEDRM C[C@H]1CN(C(=O)Nc2ccc(Oc3ccc(C#N)cn3)cc2)C[C@]1(C)C(=O)[O-] ZINC001599922524 985155331 /nfs/dbraw/zinc/15/53/31/985155331.db2.gz REAUIDIHTMGJKV-RBZFPXEDSA-N -1 0 380.404 3.320 20 30 GGEDRM Cc1nc(=O)[nH]c(SCc2cc(C#N)ccc2Br)c1C(=O)[O-] ZINC001599942226 985469013 /nfs/dbraw/zinc/46/90/13/985469013.db2.gz USTUKKXIKGQERR-UHFFFAOYSA-N -1 0 380.223 3.115 20 30 GGEDRM CC(=O)N[C@@H](CSCCC(C#N)(c1ccccc1)c1ccccc1)C(=O)[O-] ZINC001589157325 985489660 /nfs/dbraw/zinc/48/96/60/985489660.db2.gz LMXPYMJSYFCYSK-IBGZPJMESA-N -1 0 382.485 3.209 20 30 GGEDRM Cc1[nH]c(C(=O)[C@@H](C)N2CCC(Nc3ccccc3C#N)CC2)c(C)c1C(=O)[O-] ZINC001599946343 985534571 /nfs/dbraw/zinc/53/45/71/985534571.db2.gz SBZRWPFTIKGPRZ-OAHLLOKOSA-N -1 0 394.475 3.349 20 30 GGEDRM Cc1[nH]c(C(=O)[C@H](C)N2CCC(Nc3ccccc3C#N)CC2)c(C)c1C(=O)[O-] ZINC001599946342 985534714 /nfs/dbraw/zinc/53/47/14/985534714.db2.gz SBZRWPFTIKGPRZ-HNNXBMFYSA-N -1 0 394.475 3.349 20 30 GGEDRM C[C@H]1CN(C(=O)Nc2cccc(C#Cc3cccc(C(=O)[O-])c3)c2)C[C@@]1(C)CO ZINC001594482842 985543385 /nfs/dbraw/zinc/54/33/85/985543385.db2.gz VVJRPPCLPSNQPV-HJPURHCSSA-N -1 0 392.455 3.267 20 30 GGEDRM CC(=O)c1[nH]c(CC(=O)[C@H](C#N)c2ncc(C(C)(C)C)s2)c(C(=O)[O-])c1C ZINC001589235022 985794175 /nfs/dbraw/zinc/79/41/75/985794175.db2.gz YLSZNSRREBDHFT-NSHDSACASA-N -1 0 387.461 3.397 20 30 GGEDRM CC(=O)c1cc(C#N)ccc1NC(=O)c1cc(Br)cc(C(=O)[O-])c1 ZINC001589255754 985896824 /nfs/dbraw/zinc/89/68/24/985896824.db2.gz OXQQPJRPKVSDTH-UHFFFAOYSA-N -1 0 387.189 3.474 20 30 GGEDRM CCOCCCN(C[C@@H](C)C(=O)[O-])c1cc(Br)c(C#N)cc1F ZINC001596914722 985930608 /nfs/dbraw/zinc/93/06/08/985930608.db2.gz GZNWVFCOGHRNNF-LLVKDONJSA-N -1 0 387.249 3.414 20 30 GGEDRM CC(=O)c1cc(C(=O)[O-])ccc1OC(=O)c1cc(C)n(-c2cccc(C#N)c2)n1 ZINC001589266449 985940214 /nfs/dbraw/zinc/94/02/14/985940214.db2.gz AQDQWWIYFRHIAL-UHFFFAOYSA-N -1 0 389.367 3.172 20 30 GGEDRM Cc1c(C#N)cccc1C(=O)N1CCN([C@H](C(=O)[O-])c2ccc(Cl)cc2)CC1 ZINC001599973016 986039845 /nfs/dbraw/zinc/03/98/45/986039845.db2.gz FFDNESUGQAHMFL-IBGZPJMESA-N -1 0 397.862 3.104 20 30 GGEDRM Cc1c(C)n(C2CCCC2)c(NC(=O)CN2CC[C@@H](C(=O)[O-])C[C@H]2C)c1C#N ZINC001599973111 986042325 /nfs/dbraw/zinc/04/23/25/986042325.db2.gz IPTKQLFQPQTORN-CZUORRHYSA-N -1 0 386.496 3.215 20 30 GGEDRM Cc1c(C#N)cccc1C(=O)N1Cc2cccc(Br)c2C[C@H]1C(=O)[O-] ZINC001599973173 986044212 /nfs/dbraw/zinc/04/42/12/986044212.db2.gz 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C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)c1cc(C(=O)[O-])ccn1 ZINC001589331665 986190264 /nfs/dbraw/zinc/19/02/64/986190264.db2.gz LGNKHIAARLPHNO-LLVKDONJSA-N -1 0 377.322 3.353 20 30 GGEDRM C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@](C)(C(=O)[O-])c1ccccc1 ZINC001589331803 986192035 /nfs/dbraw/zinc/19/20/35/986192035.db2.gz PMJCOTCQOAKVDB-VFNWGFHPSA-N -1 0 397.500 3.466 20 30 GGEDRM C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@@](C)(C(=O)[O-])c1ccccc1 ZINC001589331802 986192431 /nfs/dbraw/zinc/19/24/31/986192431.db2.gz PMJCOTCQOAKVDB-QVKFZJNVSA-N -1 0 397.500 3.466 20 30 GGEDRM C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccc(C(=O)[O-])n1C ZINC001589331863 986193580 /nfs/dbraw/zinc/19/35/80/986193580.db2.gz QVFDAOZYKVFTJF-LLVKDONJSA-N -1 0 379.338 3.297 20 30 GGEDRM C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCCCC[C@@H]1C(=O)[O-] ZINC001589331906 986193666 /nfs/dbraw/zinc/19/36/66/986193666.db2.gz SRKKMAIBAAPVFK-GOEBONIOSA-N -1 0 375.494 3.206 20 30 GGEDRM C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1 ZINC001589331941 986194596 /nfs/dbraw/zinc/19/45/96/986194596.db2.gz UKEQBQWFLDTYNK-DUVNUKRYSA-N -1 0 398.381 3.216 20 30 GGEDRM C[C@@H](C#N)CSc1ccccc1NC(=O)NCc1ncc(C(=O)[O-])s1 ZINC001589331980 986194648 /nfs/dbraw/zinc/19/46/48/986194648.db2.gz VFGWPPLOECSTTL-JTQLQIEISA-N -1 0 376.463 3.415 20 30 GGEDRM C[C@H](C#N)CSc1ccccc1NC(=O)NCc1ncc(C(=O)[O-])s1 ZINC001589331981 986194822 /nfs/dbraw/zinc/19/48/22/986194822.db2.gz VFGWPPLOECSTTL-SNVBAGLBSA-N -1 0 376.463 3.415 20 30 GGEDRM C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1CCCn2nc(C(=O)[O-])cc21 ZINC001589332034 986195598 /nfs/dbraw/zinc/19/55/98/986195598.db2.gz WFWWGTCCJYGSCP-CHWSQXEVSA-N -1 0 399.476 3.490 20 30 GGEDRM C[C@H](C#N)Oc1ccccc1NC(=O)c1cc(C(=O)[O-])nn1-c1ccccc1 ZINC001589334963 986205629 /nfs/dbraw/zinc/20/56/29/986205629.db2.gz KVUHBMOGRZHMKG-CYBMUJFWSA-N -1 0 376.372 3.114 20 30 GGEDRM C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCc2cc(C(=O)[O-])ccc2C1 ZINC001589341938 986259423 /nfs/dbraw/zinc/25/94/23/986259423.db2.gz 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CCOc1cc(C(=O)[O-])ccc1NC(=O)c1ccn(-c2cccc(C#N)c2)n1 ZINC001597024862 986429996 /nfs/dbraw/zinc/42/99/96/986429996.db2.gz FGCBERVFFMUYTE-UHFFFAOYSA-N -1 0 376.372 3.093 20 30 GGEDRM CCOc1cc(C(=O)OCc2ccc(C#N)cc2Cl)ccc1OCC(=O)[O-] ZINC001597028265 986438950 /nfs/dbraw/zinc/43/89/50/986438950.db2.gz LHNHTSHLPAWQHD-UHFFFAOYSA-N -1 0 389.791 3.431 20 30 GGEDRM CCOc1cc(/C=C2/CCn3nc(C(=O)[O-])cc3C2=O)cc(Cl)c1OC ZINC001597030350 986442958 /nfs/dbraw/zinc/44/29/58/986442958.db2.gz CFOSIQLRYNFFQN-WDZFZDKYSA-N -1 0 376.796 3.312 20 30 GGEDRM CCOc1cc(C=NNc2nccn2C)ccc1OCc1ccc(C(=O)[O-])o1 ZINC001597033847 986466031 /nfs/dbraw/zinc/46/60/31/986466031.db2.gz QPFRFYDPAYTGDC-UHFFFAOYSA-N -1 0 384.392 3.135 20 30 GGEDRM CCOc1cc2c(cc1[C@@H]1C[C@@H]1Nc1ccc(C(=O)[O-])nc1C#N)O[C@@H](C)C2 ZINC001597044763 986505365 /nfs/dbraw/zinc/50/53/65/986505365.db2.gz PLHMAZYALGVWLQ-BNLOLNQZSA-N -1 0 379.416 3.342 20 30 GGEDRM CCOc1cc2c(cc1[C@@H]1C[C@H]1Nc1ccc(C(=O)[O-])nc1C#N)O[C@@H](C)C2 ZINC001597044765 986505522 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3.410 20 30 GGEDRM CCOc1ccc(C#N)cc1NC(=O)N1C[C@H](C(=O)[O-])[C@H](c2ccccc2)C1 ZINC001597056184 986541461 /nfs/dbraw/zinc/54/14/61/986541461.db2.gz WJPUJFYQLRJECV-IRXDYDNUSA-N -1 0 379.416 3.289 20 30 GGEDRM CCOc1ccc(C(=O)[O-])cc1S(=O)(=O)Oc1ccc(C#N)c(Cl)c1 ZINC001597075989 986606602 /nfs/dbraw/zinc/60/66/02/986606602.db2.gz GTFZJNUILBUHPF-UHFFFAOYSA-N -1 0 381.793 3.076 20 30 GGEDRM CCOc1ccc(C[C@@H](CNC(=O)Nc2cc(C#N)c(F)cc2C)C(=O)[O-])cc1 ZINC001597089025 986667426 /nfs/dbraw/zinc/66/74/26/986667426.db2.gz RIVAIMCGLUNESZ-INIZCTEOSA-N -1 0 399.422 3.470 20 30 GGEDRM CCOc1ccc(C[C@H](CNC(=O)Nc2ccc(OC)c(C#N)c2)C(=O)[O-])cc1 ZINC001597089100 986668617 /nfs/dbraw/zinc/66/86/17/986668617.db2.gz VBAPJSCKCYWQTB-MRXNPFEDSA-N -1 0 397.431 3.031 20 30 GGEDRM CCOc1ccc(C[C@@H](CNC(=O)Nc2ccc(C#N)cc2OC)C(=O)[O-])cc1 ZINC001597089413 986671423 /nfs/dbraw/zinc/67/14/23/986671423.db2.gz VTTRCAVRTYCMCM-INIZCTEOSA-N -1 0 397.431 3.031 20 30 GGEDRM C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCc2c(cccc2C(=O)[O-])C1 ZINC001589431646 986730728 /nfs/dbraw/zinc/73/07/28/986730728.db2.gz IUUMBIKTUSFVSU-GFCCVEGCSA-N -1 0 383.835 3.295 20 30 GGEDRM CCOc1ccc(N(CCC#N)C(=O)CNc2cc(C(=O)[O-])ccc2C)cc1 ZINC001597105413 986738106 /nfs/dbraw/zinc/73/81/06/986738106.db2.gz GJUIRHRKLDVOEI-UHFFFAOYSA-N -1 0 381.432 3.451 20 30 GGEDRM CCOc1ccc(N(CCC#N)C(=O)COc2ccc(C)c(C(=O)[O-])c2)cc1 ZINC001597106197 986744438 /nfs/dbraw/zinc/74/44/38/986744438.db2.gz LTSMVDLKHBPKIK-UHFFFAOYSA-N -1 0 382.416 3.418 20 30 GGEDRM C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC001589448451 986823646 /nfs/dbraw/zinc/82/36/46/986823646.db2.gz KSIDXRHUHQXABC-SJCJKPOMSA-N -1 0 395.484 3.119 20 30 GGEDRM C[C@H](C(=O)[O-])[C@@H](NC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1)c1ccccc1 ZINC001589453036 986856025 /nfs/dbraw/zinc/85/60/25/986856025.db2.gz CDWLWMDXULTOGB-JNAXZKDPSA-N -1 0 395.434 3.102 20 30 GGEDRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)Nc1ncccc1OCCCC#N)c1ccccc1 ZINC001589461909 986914354 /nfs/dbraw/zinc/91/43/54/986914354.db2.gz INVOHIAFANHUPY-RHSMWYFYSA-N -1 0 382.420 3.348 20 30 GGEDRM CCOc1ccccc1C(F)(F)C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC001597173835 987022694 /nfs/dbraw/zinc/02/26/94/987022694.db2.gz QTMFFNCWHPSFKX-MRXNPFEDSA-N -1 0 375.327 3.418 20 30 GGEDRM C[C@@H](C(=O)[O-])N(CC(=O)Nc1sc2c(c1C#N)CCCCC2)C1CCC1 ZINC001589486987 987040431 /nfs/dbraw/zinc/04/04/31/987040431.db2.gz WVHOMWIBRMHTAG-LBPRGKRZSA-N -1 0 375.494 3.155 20 30 GGEDRM C[C@H](C(=O)[O-])c1cccc(NC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)c1 ZINC001589521973 987172185 /nfs/dbraw/zinc/17/21/85/987172185.db2.gz GRYXABKTPLYSAQ-XJKSGUPXSA-N -1 0 381.407 3.350 20 30 GGEDRM CCS(=O)(=O)Nc1ccc(C(C)=NNc2ccc(C)c(C(=O)[O-])c2)cc1 ZINC001597230096 987183573 /nfs/dbraw/zinc/18/35/73/987183573.db2.gz VWATULKMZQOTRG-UHFFFAOYSA-N -1 0 375.450 3.291 20 30 GGEDRM CCC(C#N)(CC)C(=O)N1CCOc2c(Br)cc(C(=O)[O-])cc2C1 ZINC001594722992 987218431 /nfs/dbraw/zinc/21/84/31/987218431.db2.gz YVVZKINDDQDPIF-UHFFFAOYSA-N -1 0 395.253 3.198 20 30 GGEDRM CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(CC(=O)[O-])c(F)c2)c1 ZINC001594724738 987222593 /nfs/dbraw/zinc/22/25/93/987222593.db2.gz CDDNHLPCERMFGC-MRXNPFEDSA-N -1 0 385.395 3.455 20 30 GGEDRM CC[C@H](C#N)Oc1cccc(CNC(=O)N2CCc3cc(C(=O)[O-])ccc3C2)c1 ZINC001594725112 987227557 /nfs/dbraw/zinc/22/75/57/987227557.db2.gz LIXQWDPTRSDIGP-LJQANCHMSA-N -1 0 393.443 3.334 20 30 GGEDRM CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CCc3cc(C(=O)[O-])ccc3C2)c1 ZINC001594725111 987227612 /nfs/dbraw/zinc/22/76/12/987227612.db2.gz LIXQWDPTRSDIGP-IBGZPJMESA-N -1 0 393.443 3.334 20 30 GGEDRM CC[C@@H](C#N)Oc1cc(CNC(=O)c2cc(F)cc(C(=O)[O-])c2)ccc1OC ZINC001594725403 987231354 /nfs/dbraw/zinc/23/13/54/987231354.db2.gz VHLNCQXUFCZPTC-INIZCTEOSA-N -1 0 386.379 3.143 20 30 GGEDRM CC[C@H](C#N)Oc1cccc(CNC(=O)N2Cc3ccccc3[C@@H](C(=O)[O-])C2)c1 ZINC001594725501 987231804 /nfs/dbraw/zinc/23/18/04/987231804.db2.gz YJRWJCKEROSJKS-XLIONFOSSA-N -1 0 393.443 3.261 20 30 GGEDRM C[C@H](C(=O)[O-])n1cccc1CN=Nc1ccc([N+](=O)[O-])cc1Br ZINC001589539690 987237060 /nfs/dbraw/zinc/23/70/60/987237060.db2.gz KHDPPYYGOXLZPW-SECBINFHSA-N -1 0 381.186 3.250 20 30 GGEDRM CC[C@@H](C(=O)N1CCC(C#N)(C(=O)[O-])CC1)c1ccc(Br)cc1 ZINC001594729176 987240240 /nfs/dbraw/zinc/24/02/40/987240240.db2.gz FUVRWLKNHXLZEB-CQSZACIVSA-N -1 0 379.254 3.160 20 30 GGEDRM CC(C)(C#N)CC(=O)N1C[C@@H](c2ccc(Br)cc2)[C@H](C(=O)[O-])C1 ZINC001589553886 987295282 /nfs/dbraw/zinc/29/52/82/987295282.db2.gz LZKOBHXPFHQTNI-UONOGXRCSA-N -1 0 379.254 3.016 20 30 GGEDRM CC(C)(C(=O)N1CC[C@@H](c2ncc(C(=O)[O-])s2)C1)c1cc(F)cc(C#N)c1 ZINC001589562557 987319800 /nfs/dbraw/zinc/31/98/00/987319800.db2.gz FDBROMVRTDYNNP-GFCCVEGCSA-N -1 0 387.436 3.146 20 30 GGEDRM CC(C)(C(=O)Nc1nc(CCCC(=O)[O-])cs1)c1cc(F)cc(C#N)c1 ZINC001589582817 987366351 /nfs/dbraw/zinc/36/63/51/987366351.db2.gz RTVUBOCBAVZUEO-UHFFFAOYSA-N -1 0 375.425 3.477 20 30 GGEDRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)Cc2ccc(Br)cc2C#N)C1 ZINC001589605049 987447642 /nfs/dbraw/zinc/44/76/42/987447642.db2.gz BPAIUQDAPVFMBC-CQSZACIVSA-N -1 0 393.281 3.213 20 30 GGEDRM CCc1[nH]c(C(=O)OCc2c(C#N)c(C)nn2-c2ccccc2)c(C)c1C(=O)[O-] ZINC001597377616 987564114 /nfs/dbraw/zinc/56/41/14/987564114.db2.gz ATNVNMWHWOPXGY-UHFFFAOYSA-N -1 0 392.415 3.307 20 30 GGEDRM CC(C)(C(=O)[O-])n1cc(NC(=O)Nc2cccc(C#Cc3ccccn3)c2)cn1 ZINC001589666508 987653620 /nfs/dbraw/zinc/65/36/20/987653620.db2.gz JWZCSXNKSDGUOR-UHFFFAOYSA-N -1 0 389.415 3.142 20 30 GGEDRM CC(C)(C(=O)[O-])n1cc(NC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)cn1 ZINC001589672212 987672785 /nfs/dbraw/zinc/67/27/85/987672785.db2.gz MMRFYZVUBZVRGB-IAGOWNOFSA-N -1 0 381.436 3.006 20 30 GGEDRM CCc1cc(C#N)ccc1OS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1OC ZINC001597424785 987748851 /nfs/dbraw/zinc/74/88/51/987748851.db2.gz XAYOMEZKVGGRJY-UHFFFAOYSA-N -1 0 395.820 3.249 20 30 GGEDRM CC(C)(C)[C@@](C)(C#N)NS(=O)(=O)c1cc(C(F)(F)F)ccc1C(=O)[O-] ZINC001589698606 987781770 /nfs/dbraw/zinc/78/17/70/987781770.db2.gz DMIZLZIKYKTDCS-CQSZACIVSA-N -1 0 378.372 3.010 20 30 GGEDRM CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC001589702447 987799202 /nfs/dbraw/zinc/79/92/02/987799202.db2.gz HISWLRKUKIYIJK-CQSZACIVSA-N -1 0 389.843 3.408 20 30 GGEDRM CCc1cc(C(=O)[O-])c(NC(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)s1 ZINC001597443559 987809649 /nfs/dbraw/zinc/80/96/49/987809649.db2.gz NFWLLNKPQLNLME-INIZCTEOSA-N -1 0 385.445 3.486 20 30 GGEDRM CCc1cc(C(=O)[O-])ccc1NC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C ZINC001597450600 987840441 /nfs/dbraw/zinc/84/04/41/987840441.db2.gz YNSUZYJYIKZORN-INIZCTEOSA-N -1 0 389.452 3.473 20 30 GGEDRM CC(C)(C)[C@H](COc1ccccc1F)NC(=O)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001589712353 987845106 /nfs/dbraw/zinc/84/51/06/987845106.db2.gz UZQSIOWYRPXLGF-INIZCTEOSA-N -1 0 391.443 3.019 20 30 GGEDRM CCc1cc(C(=O)[O-])ccc1NC(=O)N1CCC(C#N)(c2ccccn2)CC1 ZINC001597451917 987845480 /nfs/dbraw/zinc/84/54/80/987845480.db2.gz BWZJYKSLJLWCJI-UHFFFAOYSA-N -1 0 378.432 3.431 20 30 GGEDRM CC(C)(C)C1CCC(C#N)(NS(=O)(=O)c2cccc(F)c2C(=O)[O-])CC1 ZINC001589727080 987919726 /nfs/dbraw/zinc/91/97/26/987919726.db2.gz XAIPQXYXXWFSJP-UHFFFAOYSA-N -1 0 382.457 3.301 20 30 GGEDRM CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)Cn3cc(C(=O)[O-])cn3)sc2C1 ZINC001589731348 987946580 /nfs/dbraw/zinc/94/65/80/987946580.db2.gz BLYNRYTXXWYDHH-LBPRGKRZSA-N -1 0 386.477 3.304 20 30 GGEDRM CC(C)(C)C[C@H]1CCN(S(=O)(=O)c2ccc(C#N)cc2C(=O)[O-])C1(C)C ZINC001589764706 988106248 /nfs/dbraw/zinc/10/62/48/988106248.db2.gz SUZZNRJRIGNISB-CQSZACIVSA-N -1 0 378.494 3.482 20 30 GGEDRM CCc1ccc([C@]2(CC)NC(=O)N(Cc3cccc(C(=O)[O-])c3C#N)C2=O)cc1 ZINC001597513855 988115888 /nfs/dbraw/zinc/11/58/88/988115888.db2.gz CELAYDRDCRVZQG-QFIPXVFZSA-N -1 0 391.427 3.176 20 30 GGEDRM CCc1ccc([C@@H]2CCCN(S(=O)(=O)c3ccc(C#N)cc3C(=O)[O-])C2)cc1 ZINC001597517365 988131928 /nfs/dbraw/zinc/13/19/28/988131928.db2.gz KSALPLGVETXQRZ-GOSISDBHSA-N -1 0 398.484 3.387 20 30 GGEDRM CC(C)(C)Cc1nc(-c2cccc(C(=O)N3CCC(C#N)(C(=O)[O-])CC3)c2)no1 ZINC001589789208 988176329 /nfs/dbraw/zinc/17/63/29/988176329.db2.gz VEVLOVFVGXIBPL-UHFFFAOYSA-N -1 0 396.447 3.156 20 30 GGEDRM CSc1ccc([C@@H](CC(=O)[O-])NS(=O)(=O)c2cccc(C)c2C#N)cc1 ZINC001599811609 988346143 /nfs/dbraw/zinc/34/61/43/988346143.db2.gz GXPJHUHINPYWTG-MRXNPFEDSA-N -1 0 390.486 3.083 20 30 GGEDRM CSc1ccc(CNC(=O)Nc2ccc(C(=O)[O-])cc2N(C)C)cc1C#N ZINC001599812818 988367435 /nfs/dbraw/zinc/36/74/35/988367435.db2.gz HNHJJQYSKKWICX-UHFFFAOYSA-N -1 0 384.461 3.366 20 30 GGEDRM CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001597585799 988399032 /nfs/dbraw/zinc/39/90/32/988399032.db2.gz WREISJSRROQZQC-SFHVURJKSA-N -1 0 394.427 3.236 20 30 GGEDRM CSc1ccc(CNS(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)cc1C#N ZINC001599814739 988402611 /nfs/dbraw/zinc/40/26/11/988402611.db2.gz QPKQHVLJTCCYSK-UHFFFAOYSA-N -1 0 396.877 3.110 20 30 GGEDRM CSc1nc(C2CC2)cc(C(=O)O[C@@H](Cc2ccccc2)C(=O)[O-])c1C#N ZINC001599827289 988617012 /nfs/dbraw/zinc/61/70/12/988617012.db2.gz BGGOGURNBZBXFK-KRWDZBQOSA-N -1 0 382.441 3.405 20 30 GGEDRM CSc1nn(-c2ccccc2)c(NC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)c1C#N ZINC001599829937 988655674 /nfs/dbraw/zinc/65/56/74/988655674.db2.gz SKIGLZAVFNTEBP-OLZOCXBDSA-N -1 0 384.461 3.295 20 30 GGEDRM CC(C)(C)OC(=O)N1CCC12CCN(Cc1cccc(C(=O)[O-])c1C#N)CC2 ZINC001589992678 988905319 /nfs/dbraw/zinc/90/53/19/988905319.db2.gz YPBQZLRKSFTVFZ-UHFFFAOYSA-N -1 0 385.464 3.232 20 30 GGEDRM C[C@@H]1CC[C@H](O)CN1C(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC001599848189 988969073 /nfs/dbraw/zinc/96/90/73/988969073.db2.gz TXPGRUDORYIBEM-QRWLVFNGSA-N -1 0 378.428 3.162 20 30 GGEDRM CC(C)(C)OC(=O)N1CCC[C@H]1CC(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC001590019272 989007866 /nfs/dbraw/zinc/00/78/66/989007866.db2.gz SYUHVQMSRCPRPK-RDJZCZTQSA-N -1 0 388.420 3.017 20 30 GGEDRM CC(C)(C)OC(=O)N1CCC[C@@H]1CC(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC001590019273 989008053 /nfs/dbraw/zinc/00/80/53/989008053.db2.gz SYUHVQMSRCPRPK-WBVHZDCISA-N -1 0 388.420 3.017 20 30 GGEDRM CCC1N=NC(=S)N1N=Cc1ccccc1OCc1ccc(C(=O)[O-])cc1 ZINC001597735423 989077283 /nfs/dbraw/zinc/07/72/83/989077283.db2.gz CNGOAYLXOYOGAM-UHFFFAOYSA-N -1 0 382.445 3.289 20 30 GGEDRM C[C@@H]1CN(C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)C[C@@H](C(=O)[O-])O1 ZINC001599861131 989168625 /nfs/dbraw/zinc/16/86/25/989168625.db2.gz WBWGOCMQUSMZIP-ACJLOTCBSA-N -1 0 381.388 3.056 20 30 GGEDRM CC(C)(C)OC(=O)N[C@H](CCC(=O)N(CC#N)CC(=O)[O-])CC1CCCCC1 ZINC001590117377 989322104 /nfs/dbraw/zinc/32/21/04/989322104.db2.gz QDGPTYWRZGGMTO-MRXNPFEDSA-N -1 0 395.500 3.067 20 30 GGEDRM CC(C)(C)OC(=O)N[C@@H](CCC(=O)[O-])C(=O)[C@H](C#N)c1nccc2ccccc21 ZINC001590120185 989342811 /nfs/dbraw/zinc/34/28/11/989342811.db2.gz ZQXIFNDBVNPRPF-CVEARBPZSA-N -1 0 397.431 3.169 20 30 GGEDRM CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC001590124082 989344789 /nfs/dbraw/zinc/34/47/89/989344789.db2.gz DZAANJFNEZREOG-CQSZACIVSA-N -1 0 393.415 3.440 20 30 GGEDRM CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC001590124081 989344820 /nfs/dbraw/zinc/34/48/20/989344820.db2.gz DZAANJFNEZREOG-AWEZNQCLSA-N -1 0 393.415 3.440 20 30 GGEDRM CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N[C@H](CC1CCCCC1)C(=O)[O-] ZINC001590124039 989345207 /nfs/dbraw/zinc/34/52/07/989345207.db2.gz CXORSDKEWJKFFP-HZPDHXFCSA-N -1 0 395.500 3.113 20 30 GGEDRM CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)N[C@H](CC(=O)[O-])C1CCCC1 ZINC001590124151 989346165 /nfs/dbraw/zinc/34/61/65/989346165.db2.gz GSSXLMYNNLVVAD-JKSUJKDBSA-N -1 0 395.500 3.113 20 30 GGEDRM CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)NCC1(C(=O)[O-])CCCCC1 ZINC001590124537 989350668 /nfs/dbraw/zinc/35/06/68/989350668.db2.gz NLKFPKIAHUEBEI-OAHLLOKOSA-N -1 0 395.500 3.115 20 30 GGEDRM CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N(CC(=O)[O-])c1ccccc1 ZINC001590124699 989353458 /nfs/dbraw/zinc/35/34/58/989353458.db2.gz PVPHTRBGRUMUCQ-MRXNPFEDSA-N -1 0 389.452 3.081 20 30 GGEDRM CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)Nc1sccc1C(=O)[O-] ZINC001590125094 989357796 /nfs/dbraw/zinc/35/77/96/989357796.db2.gz 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381.480 3.063 20 30 GGEDRM CCn1cc(CNC(=O)Nc2cccc(C#Cc3cccc(C(=O)[O-])c3)c2)cn1 ZINC001597889511 989738293 /nfs/dbraw/zinc/73/82/93/989738293.db2.gz FRMDMIHCCWMTOF-UHFFFAOYSA-N -1 0 388.427 3.323 20 30 GGEDRM CC(C)(C)OC(=O)[C@@H](Cc1ccccc1)N[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC001590328846 989764261 /nfs/dbraw/zinc/76/42/61/989764261.db2.gz JRUIAXYQRWEPKR-RTBURBONSA-N -1 0 380.444 3.227 20 30 GGEDRM CC(C)(C)Oc1ccc(NS(=O)(=O)CC2(C(=O)[O-])CCCC2)cc1C#N ZINC001590410106 989951202 /nfs/dbraw/zinc/95/12/02/989951202.db2.gz XWRJLHZVHVYPOM-UHFFFAOYSA-N -1 0 380.466 3.122 20 30 GGEDRM CCn1ncc(C(=O)OCc2cccc(C(=O)[O-])c2C#N)c1-c1ccccc1 ZINC001597955118 989961502 /nfs/dbraw/zinc/96/15/02/989961502.db2.gz PBRBGJQHCKIYRD-UHFFFAOYSA-N -1 0 375.384 3.497 20 30 GGEDRM CC(C)(C)c1cc(NC(=O)c2cc(C(=O)[O-])ccn2)n(-c2ccc(C#N)cc2)n1 ZINC001590462409 990034012 /nfs/dbraw/zinc/03/40/12/990034012.db2.gz VKNXHFQCMSADFH-UHFFFAOYSA-N -1 0 389.415 3.387 20 30 GGEDRM 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ZINC001593974649 997156864 /nfs/dbraw/zinc/15/68/64/997156864.db2.gz NECPOICZDVCSEQ-IBGZPJMESA-N -1 0 394.427 3.058 20 30 GGEDRM COc1cc(/C=C/C(=O)[O-])ccc1OC(=O)c1ccn(-c2cccc(C#N)c2)n1 ZINC001599398824 997177745 /nfs/dbraw/zinc/17/77/45/997177745.db2.gz MIXSUDFYOPDWRQ-SOFGYWHQSA-N -1 0 389.367 3.070 20 30 GGEDRM COc1ccc(C(C)(C)C(=O)OCc2cccc(C(=O)[O-])c2C#N)cc1OC ZINC001599504384 997185577 /nfs/dbraw/zinc/18/55/77/997185577.db2.gz JOHFDSYMLNADGQ-UHFFFAOYSA-N -1 0 383.400 3.295 20 30 GGEDRM COc1cc(/C=C\C(=O)c2cc(C(=O)[O-])co2)c([N+](=O)[O-])cc1OCC(F)F ZINC001599399581 997189915 /nfs/dbraw/zinc/18/99/15/997189915.db2.gz IXCZGISTAOJNGV-IHWYPQMZSA-N -1 0 397.286 3.435 20 30 GGEDRM COc1cc(C=NOCC(=O)Nc2ccc(C(=O)[O-])cc2)ccc1OC(C)C ZINC001599401132 997216946 /nfs/dbraw/zinc/21/69/46/997216946.db2.gz YFPXENBMZPLMBL-UHFFFAOYSA-N -1 0 386.404 3.170 20 30 GGEDRM COc1ccc([C@H](CC(=O)[O-])NC(=O)[C@@H](C#N)CCc2ccccc2)c(OC)c1 ZINC001599509086 997264675 /nfs/dbraw/zinc/26/46/75/997264675.db2.gz 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997589454 /nfs/dbraw/zinc/58/94/54/997589454.db2.gz BAYUBLRBCPGMEV-QFIPXVFZSA-N -1 0 378.428 3.163 20 30 GGEDRM C[C@]1(CO)CCCN1C(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC001594030155 997589730 /nfs/dbraw/zinc/58/97/30/997589730.db2.gz BAYUBLRBCPGMEV-JOCHJYFZSA-N -1 0 378.428 3.163 20 30 GGEDRM COc1ccc([C@H](O)C2CCN(Cc3cccc(C(=O)[O-])c3C#N)CC2)cc1 ZINC001599532670 997686046 /nfs/dbraw/zinc/68/60/46/997686046.db2.gz UWCFBBLLLCVTGA-NRFANRHFSA-N -1 0 380.444 3.211 20 30 GGEDRM CO[C@@H]1CCN(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)[C@@H](C(=O)[O-])C1 ZINC001599119101 997706679 /nfs/dbraw/zinc/70/66/79/997706679.db2.gz ADKOZSXOTFUALO-WOJBJXKFSA-N -1 0 394.427 3.249 20 30 GGEDRM C[C@@]1(NC(=O)c2cccc(CNc3ncccc3C#N)c2)CCCC[C@H]1C(=O)[O-] ZINC001594055477 997785156 /nfs/dbraw/zinc/78/51/56/997785156.db2.gz CUETVKQNYJVDGN-PGRDOPGGSA-N -1 0 392.459 3.329 20 30 GGEDRM C[C@@]1(NC(=O)c2cccc(CNc3ncccc3C#N)c2)CCCC[C@@H]1C(=O)[O-] ZINC001594055478 997785763 /nfs/dbraw/zinc/78/57/63/997785763.db2.gz CUETVKQNYJVDGN-XMSQKQJNSA-N -1 0 392.459 3.329 20 30 GGEDRM COc1ccc([C@@H]2NC(=O)N(c3ccc(C)c(F)c3)C(C(=O)[O-])=C2C(C)=O)cc1 ZINC001599542606 997869538 /nfs/dbraw/zinc/86/95/38/997869538.db2.gz WOFMQNDPBYYGKZ-SFHVURJKSA-N -1 0 398.390 3.341 20 30 GGEDRM COc1c(NC(=O)NC2CCN(c3ccccc3C#N)CC2)cccc1C(=O)[O-] ZINC001599340220 997909376 /nfs/dbraw/zinc/90/93/76/997909376.db2.gz HHVTXQDFFGTTPZ-UHFFFAOYSA-N -1 0 394.431 3.056 20 30 GGEDRM COC(=O)c1cc(NC(=O)CCCCOc2cccc(C#N)c2)cc(C(=O)[O-])c1 ZINC001598938202 997910035 /nfs/dbraw/zinc/91/00/35/997910035.db2.gz PUYFNMCDWFRBJX-UHFFFAOYSA-N -1 0 396.399 3.231 20 30 GGEDRM COc1ccc(/C=C/C(=O)[O-])cc1OCC(=O)Nc1ccccc1SCC#N ZINC001599545508 997915232 /nfs/dbraw/zinc/91/52/32/997915232.db2.gz OIMGFWMSTCIFKU-VQHVLOKHSA-N -1 0 398.440 3.426 20 30 GGEDRM COc1cc(NC(=O)Nc2cnn(Cc3ccc(C#N)cc3)c2)ccc1C(=O)[O-] ZINC001599440988 997929473 /nfs/dbraw/zinc/92/94/73/997929473.db2.gz LXMBCNMCKVWDSA-UHFFFAOYSA-N -1 0 391.387 3.154 20 30 GGEDRM COc1ccc(/C=C\C(=O)[O-])cc1OS(=O)(=O)c1cccc(C#N)c1Cl ZINC001599546425 997930523 /nfs/dbraw/zinc/93/05/23/997930523.db2.gz NPASZIRVGNZBCO-VURMDHGXSA-N -1 0 393.804 3.086 20 30 GGEDRM COc1cc(NC(C)=O)ccc1C(=O)/C=C\c1ccc(O[C@@H](C)C(=O)[O-])cc1 ZINC001599444660 997989137 /nfs/dbraw/zinc/98/91/37/997989137.db2.gz SDPYPDSWXIXEPS-GXJZLWQJSA-N -1 0 383.400 3.402 20 30 GGEDRM COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001599239244 998006446 /nfs/dbraw/zinc/00/64/46/998006446.db2.gz VMOTVJWABCDAOO-UHFFFAOYSA-N -1 0 381.432 3.256 20 30 GGEDRM COc1ccc(C[C@H](C)C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1OC ZINC001599551272 998011199 /nfs/dbraw/zinc/01/11/99/998011199.db2.gz WTPLLZPBNZADLY-ORAYPTAESA-N -1 0 383.400 3.123 20 30 GGEDRM COc1cc(Br)cc(CO)c1OCc1cccc(C(=O)[O-])c1C#N ZINC001599346926 998023858 /nfs/dbraw/zinc/02/38/58/998023858.db2.gz UFJQHNFXHIRMHK-UHFFFAOYSA-N -1 0 392.205 3.099 20 30 GGEDRM COC(=O)c1cc(NC(=O)N[C@@H]2CCCc3cc(C#N)ccc32)cc(C(=O)[O-])c1 ZINC001598944238 998029643 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3.077 20 30 GGEDRM COc1cc(C#N)cc(Br)c1OC(=O)c1ccc(/C=C/C(=O)[O-])o1 ZINC001599349298 998065263 /nfs/dbraw/zinc/06/52/63/998065263.db2.gz NLNCIENXVYNVTN-HWKANZROSA-N -1 0 392.161 3.239 20 30 GGEDRM COc1cc(C#N)ccc1C(=O)Oc1ccc(C(=O)[O-])cc1Br ZINC001599349277 998065710 /nfs/dbraw/zinc/06/57/10/998065710.db2.gz MNLUUSOIWZEFGO-UHFFFAOYSA-N -1 0 376.162 3.247 20 30 GGEDRM COc1cc(C#N)cc(Br)c1OC(=O)Cc1cccc(C(=O)[O-])c1 ZINC001599349415 998067246 /nfs/dbraw/zinc/06/72/46/998067246.db2.gz SITTVNAIOULWNA-UHFFFAOYSA-N -1 0 390.189 3.176 20 30 GGEDRM CO[C@@H]1COCC[C@H]1CC(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC001599137502 998068079 /nfs/dbraw/zinc/06/80/79/998068079.db2.gz GLFYQAYBLLSMKQ-GHTZIAJQSA-N -1 0 393.439 3.165 20 30 GGEDRM COc1cc(C#N)ccc1C(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC001599349628 998070501 /nfs/dbraw/zinc/07/05/01/998070501.db2.gz YSWJZKFEHMIHSS-UHFFFAOYSA-N -1 0 376.368 3.436 20 30 GGEDRM COc1cc(OC)c2ncc(C#N)c(NCCOc3ccc(C(=O)[O-])cc3)c2c1 ZINC001599450029 998076340 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COC(=O)c1csc(S(=O)(=O)[N-]c2cccc(OCCCC#N)c2)c1 ZINC000299542026 565454446 /nfs/dbraw/zinc/45/44/46/565454446.db2.gz WUKAPJGIAPOTTC-UHFFFAOYSA-N -1 0 380.447 3.018 20 30 GGEDRM O=C([N-]CC(F)(F)F)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000278083416 565538977 /nfs/dbraw/zinc/53/89/77/565538977.db2.gz UYMKVPMDDGOWSF-UHFFFAOYSA-N -1 0 382.182 3.341 20 30 GGEDRM Cc1cc(S(=O)(=O)Nc2cc(Br)cc(C(=O)[O-])c2)ccc1C#N ZINC000391838917 565562592 /nfs/dbraw/zinc/56/25/92/565562592.db2.gz KZKZRWNIOQCDMV-UHFFFAOYSA-N -1 0 395.234 3.128 20 30 GGEDRM N#Cc1ccc(S(=O)(=O)N[C@H](CCC(=O)[O-])c2ccccc2)c(Cl)c1 ZINC000392710360 565565769 /nfs/dbraw/zinc/56/57/69/565565769.db2.gz PVIHSTMZUYGNFU-OAHLLOKOSA-N -1 0 378.837 3.096 20 30 GGEDRM N#Cc1ccc(S(=O)(=O)N2CCCc3c(C(=O)[O-])cccc32)c(Cl)c1 ZINC000392688667 565566124 /nfs/dbraw/zinc/56/61/24/565566124.db2.gz IFWLYDZLCCEZDZ-UHFFFAOYSA-N -1 0 376.821 3.051 20 30 GGEDRM COc1cc(Br)c(NC(=O)c2ccc(C#N)c([O-])c2)cc1OC ZINC000190961846 565574034 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Cc1c(Br)cc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc(C#N)c1 ZINC000322622348 565610713 /nfs/dbraw/zinc/61/07/13/565610713.db2.gz SDDUXBBOAIVIOG-UHFFFAOYSA-N -1 0 395.234 3.128 20 30 GGEDRM N#Cc1ccc(S(=O)(=O)N2[C@@H]3CCCC[C@H]3CC[C@H]2C(=O)[O-])c(Cl)c1 ZINC000326844114 565626424 /nfs/dbraw/zinc/62/64/24/565626424.db2.gz CGZBRVAIJGRMNF-CFVMTHIKSA-N -1 0 382.869 3.008 20 30 GGEDRM N#Cc1ccc(S(=O)(=O)N2[C@@H]3CCCC[C@@H]3CC[C@H]2C(=O)[O-])c(Cl)c1 ZINC000326844121 565626426 /nfs/dbraw/zinc/62/64/26/565626426.db2.gz CGZBRVAIJGRMNF-YUELXQCFSA-N -1 0 382.869 3.008 20 30 GGEDRM CCOc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C#N)c2)cc1C(=O)[O-] ZINC000327309482 565629315 /nfs/dbraw/zinc/62/93/15/565629315.db2.gz UNCFIMLVGWUKCU-UHFFFAOYSA-N -1 0 380.809 3.109 20 30 GGEDRM CCOc1ccc(S(=O)(=O)Nc2ccc(C#N)cc2Cl)cc1C(=O)[O-] ZINC000327740057 565633322 /nfs/dbraw/zinc/63/33/22/565633322.db2.gz FLFPRMRPNWHWPE-UHFFFAOYSA-N -1 0 380.809 3.109 20 30 GGEDRM CN(Cc1nc(=O)c2sccc2[n-]1)Cc1cc(C#N)ccc1Br ZINC000191839369 565637194 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397.456 3.296 20 30 GGEDRM O=C([O-])[C@@H](CNC(=O)Nc1cccc(C#Cc2ccccn2)c1)c1ccccc1 ZINC000833134612 601049515 /nfs/dbraw/zinc/04/95/15/601049515.db2.gz FZWJHOBRBXXIKD-NRFANRHFSA-N -1 0 385.423 3.471 20 30 GGEDRM Cc1ccc(NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)cc1C(=O)[O-] ZINC000832948081 601064320 /nfs/dbraw/zinc/06/43/20/601064320.db2.gz OJMKEUWVFAZHQD-UHFFFAOYSA-N -1 0 386.429 3.023 20 30 GGEDRM C=CCOc1cn(-c2ccccc2)nc1C(=O)N(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC000825702555 601080585 /nfs/dbraw/zinc/08/05/85/601080585.db2.gz QGOCLXDDASLURQ-UHFFFAOYSA-N -1 0 395.415 3.309 20 30 GGEDRM C=CCOc1ccccc1CNC(=O)Nc1cc(C(=O)[O-])cc(OC)c1OC ZINC000825702686 601082099 /nfs/dbraw/zinc/08/20/99/601082099.db2.gz UTEVHBBKVVKTDN-UHFFFAOYSA-N -1 0 386.404 3.289 20 30 GGEDRM C=CCOc1cn(-c2ccccc2)nc1C(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000825702065 601082405 /nfs/dbraw/zinc/08/24/05/601082405.db2.gz BKCCRBGDPABKNO-UHFFFAOYSA-N -1 0 389.411 3.291 20 30 GGEDRM C=CCOc1cn(-c2ccccc2)nc1C(=O)NC[C@@H](C(=O)[O-])c1ccccc1 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CCCN(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC000829497228 601219619 /nfs/dbraw/zinc/21/96/19/601219619.db2.gz ZIFVHTYJESAIEE-FMIVXFBMSA-N -1 0 384.457 3.257 20 30 GGEDRM CCN([C@@H](C)c1ccc(C#N)cc1)S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000737839673 601219717 /nfs/dbraw/zinc/21/97/17/601219717.db2.gz BQUHYBFAXYZIMR-LBPRGKRZSA-N -1 0 376.409 3.167 20 30 GGEDRM O=C([O-])c1ccc(C=NOCC(=O)N(Cc2ccccc2)CC(F)(F)F)cc1 ZINC000833313402 601221072 /nfs/dbraw/zinc/22/10/72/601221072.db2.gz VERXJYDGCLZGBU-UHFFFAOYSA-N -1 0 394.349 3.326 20 30 GGEDRM CC(C)N(C[C@H](C)O)C(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC000827796477 601221487 /nfs/dbraw/zinc/22/14/87/601221487.db2.gz WCOMBMPFKXZKGN-INIZCTEOSA-N -1 0 380.444 3.408 20 30 GGEDRM C=CCc1cc([N+](=O)[O-])ccc1OS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000825705485 601229198 /nfs/dbraw/zinc/22/91/98/601229198.db2.gz JPDQGFTYKHEBHE-UHFFFAOYSA-N -1 0 399.327 3.067 20 30 GGEDRM CC(C)N(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC000826951235 601229629 /nfs/dbraw/zinc/22/96/29/601229629.db2.gz ACPLCGVGRPWBCX-FMIVXFBMSA-N -1 0 384.457 3.255 20 30 GGEDRM N#C[C@H](C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1)c1nc(=O)c2c3c(sc2[nH]1)CCCC3 ZINC000833063941 601235719 /nfs/dbraw/zinc/23/57/19/601235719.db2.gz OBYUGGYEMOPGCT-NTZNESFSSA-N -1 0 399.472 3.343 20 30 GGEDRM CN(Cc1ccco1)C(=O)CNc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC000830859753 601247680 /nfs/dbraw/zinc/24/76/80/601247680.db2.gz JRCRVVKPYDNOIN-UHFFFAOYSA-N -1 0 388.423 3.448 20 30 GGEDRM CC(C)Oc1ccc(C(=O)[O-])cc1N[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000827047915 601265370 /nfs/dbraw/zinc/26/53/70/601265370.db2.gz LXASVGATPITTDE-KRWDZBQOSA-N -1 0 379.416 3.261 20 30 GGEDRM N#Cc1cccc([C@@H](Nc2ccc3nc(N4CCOCC4)sc3c2)C(=O)[O-])c1 ZINC000833074832 601298816 /nfs/dbraw/zinc/29/88/16/601298816.db2.gz FESXBSXLUQXLBZ-GOSISDBHSA-N -1 0 394.456 3.242 20 30 GGEDRM N#Cc1cccc([C@H](Nc2ccc(NC(=O)NC[C@H]3CCCO3)cc2)C(=O)[O-])c1 ZINC000833075993 601299863 /nfs/dbraw/zinc/29/98/63/601299863.db2.gz PUUQBUWXSWEPNZ-MOPGFXCFSA-N -1 0 394.431 3.097 20 30 GGEDRM COc1ccccc1-c1noc([C@H](C)N[C@@H](C(=O)[O-])c2cccc(C#N)c2)n1 ZINC000832583085 601307402 /nfs/dbraw/zinc/30/74/02/601307402.db2.gz NANHYFZNFIIRLU-YVEFUNNKSA-N -1 0 378.388 3.093 20 30 GGEDRM Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cc(C(=O)[O-])n(C)c2)cc1C ZINC000832909252 601312898 /nfs/dbraw/zinc/31/28/98/601312898.db2.gz YEBOUMZJWUBAJT-UHFFFAOYSA-N -1 0 391.431 3.370 20 30 GGEDRM C[C@H]1CN([C@@H](C(=O)[O-])c2cccc(C#N)c2)CCN1c1nc2ccccc2o1 ZINC000828413699 601314982 /nfs/dbraw/zinc/31/49/82/601314982.db2.gz UIEJHIWCGFOSCC-IFXJQAMLSA-N -1 0 376.416 3.036 20 30 GGEDRM CN([C@@H](C(=O)[O-])c1cccc(C#N)c1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000830660990 601318002 /nfs/dbraw/zinc/31/80/02/601318002.db2.gz LOXJFRQOBGDRTH-ZWKOTPCHSA-N -1 0 383.835 3.075 20 30 GGEDRM Cn1cc(NC(=O)c2cccc(COc3ccccc3C#N)c2)cc1C(=O)[O-] ZINC000833052324 601320679 /nfs/dbraw/zinc/32/06/79/601320679.db2.gz UDBBFMNMAJKTIC-UHFFFAOYSA-N -1 0 375.384 3.426 20 30 GGEDRM N#CCCCOc1cccc(NS(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)c1 ZINC000833065419 601325050 /nfs/dbraw/zinc/32/50/50/601325050.db2.gz BMJHEELOZSEGRP-FLIBITNWSA-N -1 0 386.429 3.268 20 30 GGEDRM Cc1ccc(NS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)c(C(=O)[O-])c1 ZINC000832952910 601332885 /nfs/dbraw/zinc/33/28/85/601332885.db2.gz LIWDJIJCPSEIJI-UHFFFAOYSA-N -1 0 384.335 3.385 20 30 GGEDRM O=C([O-])c1ccc(C=NN2C(=S)N=NC2Cc2cccc3ccccc32)[nH]1 ZINC000749812951 601336149 /nfs/dbraw/zinc/33/61/49/601336149.db2.gz UNBPNMBFSMHDPK-UHFFFAOYSA-N -1 0 377.429 3.219 20 30 GGEDRM O=C([O-])c1ccc(CN=Nc2cc(C(F)(F)F)nc(-c3ccccn3)n2)[nH]1 ZINC000833311991 601337187 /nfs/dbraw/zinc/33/71/87/601337187.db2.gz GUCFQNDFUSLBLZ-UHFFFAOYSA-N -1 0 376.298 3.030 20 30 GGEDRM Cc1cc(C)n(-c2ccc(C(=O)O[C@@H](C(=O)[O-])c3cccc(C#N)c3)cc2)n1 ZINC000832879277 601343439 /nfs/dbraw/zinc/34/34/39/601343439.db2.gz DTPHPTCYDBUMMX-LJQANCHMSA-N -1 0 375.384 3.344 20 30 GGEDRM N#Cc1cccc([C@@H](OC(=O)c2ccc(OC[C@H]3CCCO3)cc2)C(=O)[O-])c1 ZINC000833075714 601344294 /nfs/dbraw/zinc/34/42/94/601344294.db2.gz DEMWIWMYUHXAKZ-RTBURBONSA-N -1 0 381.384 3.099 20 30 GGEDRM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000827914846 601344639 /nfs/dbraw/zinc/34/46/39/601344639.db2.gz HOAOGXAJOPFIJF-ZBEGNZNMSA-N -1 0 386.385 3.316 20 30 GGEDRM C/C=C/c1ccc(OCC(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)c(OC)c1 ZINC000828542884 601344773 /nfs/dbraw/zinc/34/47/73/601344773.db2.gz PJXHPRAGNLOMMH-GECPCNCSSA-N -1 0 381.384 3.348 20 30 GGEDRM COc1cccc(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)c1OC(F)F ZINC000832524010 601344992 /nfs/dbraw/zinc/34/49/92/601344992.db2.gz OKTRGZKKCIDNHE-CQSZACIVSA-N -1 0 377.299 3.151 20 30 GGEDRM Cc1nn(-c2ccccc2)c(C)c1C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000833012013 601345155 /nfs/dbraw/zinc/34/51/55/601345155.db2.gz WFZMOJIWVHIMPZ-LJQANCHMSA-N -1 0 375.384 3.344 20 30 GGEDRM N#Cc1cccc([C@@H](OC(=O)c2cc(Br)ccc2O)C(=O)[O-])c1 ZINC000833077365 601345618 /nfs/dbraw/zinc/34/56/18/601345618.db2.gz QLTAJLURJIWUAF-CQSZACIVSA-N -1 0 376.162 3.009 20 30 GGEDRM COc1ccc2cc(C(=O)O[C@H](C(=O)[O-])c3cccc(C#N)c3)c(C)nc2c1 ZINC000832504189 601345829 /nfs/dbraw/zinc/34/58/29/601345829.db2.gz GNZYLALRBBPVDR-IBGZPJMESA-N -1 0 376.368 3.406 20 30 GGEDRM Cc1nc2c(cnn2C(C)C)cc1C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000833005109 601346094 /nfs/dbraw/zinc/34/60/94/601346094.db2.gz ILNMKYFMAIQJPT-QGZVFWFLSA-N -1 0 378.388 3.175 20 30 GGEDRM N#Cc1cccc([C@@H](OC(=O)c2ccc(Br)cc2F)C(=O)[O-])c1 ZINC000833077215 601346489 /nfs/dbraw/zinc/34/64/89/601346489.db2.gz NHVMQGJKNOIYBV-CQSZACIVSA-N -1 0 378.153 3.443 20 30 GGEDRM Cc1nc(SCC(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)c(C#N)c(C)c1C ZINC000833005188 601346895 /nfs/dbraw/zinc/34/68/95/601346895.db2.gz RKQHQHHNUQNVMU-GOSISDBHSA-N -1 0 395.440 3.211 20 30 GGEDRM C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000828191245 601348186 /nfs/dbraw/zinc/34/81/86/601348186.db2.gz AMKYFGWHFHJUCL-PJSAGSTRSA-N -1 0 378.384 3.135 20 30 GGEDRM Cc1cc(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)c(C)n1-c1ccccn1 ZINC000832867748 601348405 /nfs/dbraw/zinc/34/84/05/601348405.db2.gz DJRFJJPLTHINGH-IBGZPJMESA-N -1 0 375.384 3.344 20 30 GGEDRM Cc1cc(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)c(C)n1-c1nccs1 ZINC000832869127 601348544 /nfs/dbraw/zinc/34/85/44/601348544.db2.gz ZGSCWXYUUCBRGZ-INIZCTEOSA-N -1 0 381.413 3.405 20 30 GGEDRM N#Cc1cccc([C@@H](OC(=O)c2ccc(N3CCCCCC3)nc2)C(=O)[O-])c1 ZINC000833075999 601348641 /nfs/dbraw/zinc/34/86/41/601348641.db2.gz FTAVUTKTMRHVIK-LJQANCHMSA-N -1 0 379.416 3.316 20 30 GGEDRM Cc1cc(C)n(-c2ccc(CC(=O)O[C@H](C(=O)[O-])c3cccc(C#N)c3)cc2)n1 ZINC000832879813 601349389 /nfs/dbraw/zinc/34/93/89/601349389.db2.gz VCKBPUYGCHMRTC-NRFANRHFSA-N -1 0 389.411 3.272 20 30 GGEDRM Cc1oc(-c2cccs2)nc1CC(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000833024833 601349682 /nfs/dbraw/zinc/34/96/82/601349682.db2.gz QVWNKOBDDFXOEX-KRWDZBQOSA-N -1 0 382.397 3.495 20 30 GGEDRM CC(=O)Nc1ccc(S[C@H](C)C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000825913351 601350034 /nfs/dbraw/zinc/35/00/34/601350034.db2.gz PORPMNIEGAZCLR-KZULUSFZSA-N -1 0 398.440 3.366 20 30 GGEDRM CC(=O)Nc1ccc(S[C@@H](C)C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000825913350 601350096 /nfs/dbraw/zinc/35/00/96/601350096.db2.gz PORPMNIEGAZCLR-KPZWWZAWSA-N -1 0 398.440 3.366 20 30 GGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)c1ccc(-n2cncn2)cc1C ZINC000825702863 601350163 /nfs/dbraw/zinc/35/01/63/601350163.db2.gz YRCDPBAKXGCCEN-UHFFFAOYSA-N -1 0 393.399 3.230 20 30 GGEDRM Cc1c(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)nnn1-c1cccc(Cl)c1 ZINC000832854462 601350262 /nfs/dbraw/zinc/35/02/62/601350262.db2.gz YHMJIEGQJCCVRF-QGZVFWFLSA-N -1 0 396.790 3.084 20 30 GGEDRM Cc1nc2cc(F)cc(C(=O)O[C@H](C(=O)[O-])c3cccc(C#N)c3)c2nc1C ZINC000833003968 601350293 /nfs/dbraw/zinc/35/02/93/601350293.db2.gz DIKXDJUVSFDCRC-SFHVURJKSA-N -1 0 379.347 3.240 20 30 GGEDRM N#Cc1cccc([C@@H](OC(=O)c2ccn(-c3cccc(Cl)c3)n2)C(=O)[O-])c1 ZINC000833075384 601350611 /nfs/dbraw/zinc/35/06/11/601350611.db2.gz ABHXZYQDJCUXST-QGZVFWFLSA-N -1 0 381.775 3.380 20 30 GGEDRM Cc1cc(C)n(Cc2ccc(C(=O)O[C@H](C(=O)[O-])c3cccc(C#N)c3)cc2)n1 ZINC000832880067 601351065 /nfs/dbraw/zinc/35/10/65/601351065.db2.gz ARTJMIFGQVOYPN-FQEVSTJZSA-N -1 0 389.411 3.403 20 30 GGEDRM COc1ccc(C)cc1-n1ccc(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)n1 ZINC000832251755 601351224 /nfs/dbraw/zinc/35/12/24/601351224.db2.gz AORFGNMEULWJMY-IBGZPJMESA-N -1 0 391.383 3.044 20 30 GGEDRM CCOc1cn(-c2ccccc2)nc1C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830122402 601352919 /nfs/dbraw/zinc/35/29/19/601352919.db2.gz GRSFTITUXXEIEN-IBGZPJMESA-N -1 0 391.383 3.125 20 30 GGEDRM N#Cc1cccc([C@@H](OC(=O)c2cccc(Br)c2O)C(=O)[O-])c1 ZINC000833077737 601353379 /nfs/dbraw/zinc/35/33/79/601353379.db2.gz ZRLOZCKUOPUKRD-CQSZACIVSA-N -1 0 376.162 3.009 20 30 GGEDRM Cc1cc(Br)c(N)c(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000832857941 601353744 /nfs/dbraw/zinc/35/37/44/601353744.db2.gz FDRGBWGMGOPMGR-HNNXBMFYSA-N -1 0 389.205 3.194 20 30 GGEDRM COc1cc2cc(C(=O)O[C@H](C(=O)[O-])c3cccc(C#N)c3)[nH]c2cc1OC ZINC000832112945 601353923 /nfs/dbraw/zinc/35/39/23/601353923.db2.gz ZWXCUNUCALVUHU-SFHVURJKSA-N -1 0 380.356 3.039 20 30 GGEDRM CC(C)(C)C(=O)NCc1ccc(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000826134810 601354338 /nfs/dbraw/zinc/35/43/38/601354338.db2.gz AMPVKAFYZUHPOC-GOSISDBHSA-N -1 0 394.427 3.203 20 30 GGEDRM COc1ccc(Br)cc1C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000832152800 601354857 /nfs/dbraw/zinc/35/48/57/601354857.db2.gz MENSBIGCDQCZMD-OAHLLOKOSA-N -1 0 390.189 3.312 20 30 GGEDRM N#Cc1cccc([C@H](OC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(=O)[O-])c1 ZINC000833077494 601355228 /nfs/dbraw/zinc/35/52/28/601355228.db2.gz USEJRHKTGBOMGR-AWEZNQCLSA-N -1 0 394.261 3.468 20 30 GGEDRM Cc1csc(CCN2C(=O)N[C@@H](c3cc(C#N)cs3)C(C(=O)[O-])=C2C)n1 ZINC000828134439 601376546 /nfs/dbraw/zinc/37/65/46/601376546.db2.gz GZQCRKDBCMMMCI-HNNXBMFYSA-N -1 0 388.474 3.052 20 30 GGEDRM Cc1cc(C(=O)[O-])cc(S(=O)(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c1C ZINC000832865824 601385049 /nfs/dbraw/zinc/38/50/49/601385049.db2.gz SDRGVUPHEGDNQT-RBUKOAKNSA-N -1 0 398.484 3.462 20 30 GGEDRM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000832919438 601385349 /nfs/dbraw/zinc/38/53/49/601385349.db2.gz KYRLNWFQURVFBH-QZTJIDSGSA-N -1 0 384.457 3.154 20 30 GGEDRM Cc1cccc(S(=O)(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c1C(=O)[O-] ZINC000832972387 601385387 /nfs/dbraw/zinc/38/53/87/601385387.db2.gz BGBRQPXHISSJBC-DLBZAZTESA-N -1 0 384.457 3.154 20 30 GGEDRM Cc1ccc(S(=O)(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)cc1C(=O)[O-] ZINC000832955822 601385404 /nfs/dbraw/zinc/38/54/04/601385404.db2.gz WVKLWGJYTCATNU-MOPGFXCFSA-N -1 0 384.457 3.154 20 30 GGEDRM N#C[C@H](c1ccccc1)[C@@H]1CCCN1S(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC000833063817 601385998 /nfs/dbraw/zinc/38/59/98/601385998.db2.gz BEGFJWJDGMOADX-JHRJRCTKSA-N -1 0 396.468 3.245 20 30 GGEDRM Cc1c(C(=O)[O-])cccc1S(=O)(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000832851634 601386013 /nfs/dbraw/zinc/38/60/13/601386013.db2.gz BAEMHBOWMPJACE-ROUUACIJSA-N -1 0 384.457 3.154 20 30 GGEDRM N#Cc1cc(S(=O)(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)ccc1Cl ZINC000833070390 601394056 /nfs/dbraw/zinc/39/40/56/601394056.db2.gz CREYFYXRDJVJFO-HNNXBMFYSA-N -1 0 399.255 3.359 20 30 GGEDRM C=CCn1c2ncn(Cc3cc(C(=O)[O-])oc3CC)c(=O)c2sc1=S ZINC000825705685 601405534 /nfs/dbraw/zinc/40/55/34/601405534.db2.gz RDQUPMBXVRNVQO-UHFFFAOYSA-N -1 0 377.447 3.077 20 30 GGEDRM Cc1cc(Cn2cc(C#N)c(=O)c3cc(Br)ccc32)oc1C(=O)[O-] ZINC000832887030 601407894 /nfs/dbraw/zinc/40/78/94/601407894.db2.gz SQEMZSJEBCHUPU-UHFFFAOYSA-N -1 0 387.189 3.284 20 30 GGEDRM Cc1sc(NC(=O)CN(CC(=O)[O-])Cc2ccc(Cl)cc2)c(C#N)c1C ZINC000833033854 601413917 /nfs/dbraw/zinc/41/39/17/601413917.db2.gz IWNYCLWIDMSLRJ-UHFFFAOYSA-N -1 0 391.880 3.415 20 30 GGEDRM N#Cc1cccc(-c2nnc(CN3C[C@@H](C4CCCCC4)C[C@H]3C(=O)[O-])o2)c1 ZINC000833074065 601431063 /nfs/dbraw/zinc/43/10/63/601431063.db2.gz NQIVBDMCYGBJRN-ROUUACIJSA-N -1 0 380.448 3.464 20 30 GGEDRM N#Cc1ccccc1Sc1ccc(C(=O)Nc2cnn(CC(=O)[O-])c2)cc1 ZINC000833077052 601437300 /nfs/dbraw/zinc/43/73/00/601437300.db2.gz WUJRWNHKMIDOTO-UHFFFAOYSA-N -1 0 378.413 3.243 20 30 GGEDRM Cc1c(C(=O)[O-])c2cc(OC(=O)[C@@H](C)Oc3ccccc3C#N)ccc2n1C ZINC000832851748 601450790 /nfs/dbraw/zinc/45/07/90/601450790.db2.gz XQKICNVFZOWSBN-CYBMUJFWSA-N -1 0 378.384 3.430 20 30 GGEDRM N#Cc1ccccc1Sc1ccc(C(=O)N(CC(=O)[O-])C2CCOCC2)cc1 ZINC000833076424 601452998 /nfs/dbraw/zinc/45/29/98/601452998.db2.gz FNRYDGZSRXZULW-UHFFFAOYSA-N -1 0 396.468 3.415 20 30 GGEDRM N#Cc1ccc(Oc2ccc(OS(=O)(=O)c3c[nH]c(C(=O)[O-])c3)cc2)cc1 ZINC000833072128 601478070 /nfs/dbraw/zinc/47/80/70/601478070.db2.gz VWZZYABKNIYUDR-UHFFFAOYSA-N -1 0 384.369 3.145 20 30 GGEDRM C=CCOc1ccc(/C=C/C(=O)N2CCc3ccccc3[C@H]2C(=O)[O-])cc1OC ZINC000767040957 601483992 /nfs/dbraw/zinc/48/39/92/601483992.db2.gz FXVUCJPRYQFXKG-CRWWQRIJSA-N -1 0 393.439 3.484 20 30 GGEDRM C=CCOc1ccc(/C=C\C(=O)N2CCc3ccccc3[C@H]2C(=O)[O-])cc1OC ZINC000767040959 601483993 /nfs/dbraw/zinc/48/39/93/601483993.db2.gz FXVUCJPRYQFXKG-DMGQTMSCSA-N -1 0 393.439 3.484 20 30 GGEDRM CCCNc1ccc(C#N)cc1NS(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1 ZINC000751142437 601484709 /nfs/dbraw/zinc/48/47/09/601484709.db2.gz KWDWUTOCDYALOZ-UHFFFAOYSA-N -1 0 395.387 3.157 20 30 GGEDRM CCC1(CNC(=O)C(=O)Nc2cccc(C#Cc3cccc(C(=O)[O-])c3)c2)CC1 ZINC000829060962 601496693 /nfs/dbraw/zinc/49/66/93/601496693.db2.gz LNVHWLZMSJQADA-UHFFFAOYSA-N -1 0 390.439 3.030 20 30 GGEDRM CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc(C)c(OCC(=O)[O-])c(C)c2)cc1 ZINC000830254051 601498764 /nfs/dbraw/zinc/49/87/64/601498764.db2.gz SJBGDTORIOOURL-SFHVURJKSA-N -1 0 394.427 3.290 20 30 GGEDRM Cc1cccc2[nH]c([C@@H](C#N)C(=O)c3cc(C)c(OCC(=O)[O-])c(C)c3)nc21 ZINC000832859479 601500941 /nfs/dbraw/zinc/50/09/41/601500941.db2.gz QYWUZSAMXDOMJY-HNNXBMFYSA-N -1 0 377.400 3.442 20 30 GGEDRM C=CCN(Cc1cccc(C#N)c1)C(=O)c1cc(C)c(OCC(=O)[O-])c(C)c1 ZINC000825682415 601536241 /nfs/dbraw/zinc/53/62/41/601536241.db2.gz ZOWRAUWSVBHAOJ-UHFFFAOYSA-N -1 0 378.428 3.467 20 30 GGEDRM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1Cc1nc2cc(C(=O)[O-])ccc2c(=O)[nH]1 ZINC000833065169 601539952 /nfs/dbraw/zinc/53/99/52/601539952.db2.gz UMJRLORZJHFQSU-HKUYNNGSSA-N -1 0 388.427 3.305 20 30 GGEDRM Cc1ccc(C(=O)[O-])cc1OS(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000832918323 601579567 /nfs/dbraw/zinc/57/95/67/601579567.db2.gz FJKKELIEDQBNNZ-UHFFFAOYSA-N -1 0 396.218 3.095 20 30 GGEDRM N#Cc1cccc([C@H](OC(=O)[C@@H](O)c2cc(Cl)cc(Cl)c2)C(=O)[O-])c1 ZINC000833075148 601610727 /nfs/dbraw/zinc/61/07/27/601610727.db2.gz IEOHAGSSAFUGRH-GJZGRUSLSA-N -1 0 380.183 3.268 20 30 GGEDRM Cc1sc(C(=O)[O-])cc1CN1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000833032179 601618226 /nfs/dbraw/zinc/61/82/26/601618226.db2.gz VDBFYPFUDVTJEG-UHFFFAOYSA-N -1 0 398.444 3.197 20 30 GGEDRM Cc1sc(C(=O)[O-])cc1CON=C(N)c1cc(Br)cs1 ZINC000833031539 601633524 /nfs/dbraw/zinc/63/35/24/601633524.db2.gz MTOSXHKOYMIWSS-UHFFFAOYSA-N -1 0 375.269 3.416 20 30 GGEDRM NC(=NOCc1ccc(C(=O)[O-])c(F)c1)c1ccc(OCc2cccnc2)cc1 ZINC000833078760 601634337 /nfs/dbraw/zinc/63/43/37/601634337.db2.gz QTMXAHSBWUEWHQ-UHFFFAOYSA-N -1 0 395.390 3.335 20 30 GGEDRM Cc1cc(C#N)ccc1Oc1ccc(C(=O)Nc2cnn(CC(=O)[O-])c2)cc1 ZINC000832859465 601666057 /nfs/dbraw/zinc/66/60/57/601666057.db2.gz QKQYGRBDGXGJDB-UHFFFAOYSA-N -1 0 376.372 3.192 20 30 GGEDRM N#CCCN(C(=O)CCC(=O)Nc1ccc(F)cc1C(=O)[O-])c1ccccc1 ZINC000833065565 601670039 /nfs/dbraw/zinc/67/00/39/601670039.db2.gz HANMNCHTPOBTBZ-UHFFFAOYSA-N -1 0 383.379 3.189 20 30 GGEDRM N#Cc1cc(F)c(C(=O)N(CCC(=O)[O-])Cc2cccc(F)c2F)c(F)c1 ZINC000833068572 601682426 /nfs/dbraw/zinc/68/24/26/601682426.db2.gz CGQMHXYRSNECOO-UHFFFAOYSA-N -1 0 380.297 3.232 20 30 GGEDRM Cc1cc(C(=O)N[C@](C)(C#N)CCc2ccccc2)cc(C)c1OCC(=O)[O-] ZINC000832864193 601686963 /nfs/dbraw/zinc/68/69/63/601686963.db2.gz VRFJYTKFCYKDIS-QFIPXVFZSA-N -1 0 380.444 3.412 20 30 GGEDRM N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCO[C@H](CC(=O)[O-])C2)cc1 ZINC000833064995 601691069 /nfs/dbraw/zinc/69/10/69/601691069.db2.gz PZNLUEDFKRIMFI-MOPGFXCFSA-N -1 0 379.416 3.049 20 30 GGEDRM N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000833064083 601695016 /nfs/dbraw/zinc/69/50/16/601695016.db2.gz DZFCRUVVLYMIEZ-MOPGFXCFSA-N -1 0 379.416 3.454 20 30 GGEDRM COC[C@@](C)(NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1)C(=O)[O-] ZINC000831623434 601699043 /nfs/dbraw/zinc/69/90/43/601699043.db2.gz CXUYQAJIWXGDNH-LJQANCHMSA-N -1 0 388.807 3.223 20 30 GGEDRM COC[C@](C)(NC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1)C(=O)[O-] ZINC000831623656 601700652 /nfs/dbraw/zinc/70/06/52/601700652.db2.gz OAWIJSHPKBPERB-IBGZPJMESA-N -1 0 388.807 3.223 20 30 GGEDRM Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000832900792 601701618 /nfs/dbraw/zinc/70/16/18/601701618.db2.gz MLKXJPWSUGDVBT-GOSISDBHSA-N -1 0 395.415 3.366 20 30 GGEDRM N#Cc1ccccc1Sc1ccc(C(=O)N2CCO[C@@H](CC(=O)[O-])C2)cc1 ZINC000833076840 601739782 /nfs/dbraw/zinc/73/97/82/601739782.db2.gz PRLBGJUTSPQAFE-INIZCTEOSA-N -1 0 382.441 3.025 20 30 GGEDRM N#Cc1ccccc1Sc1ccc(C(=O)N2CCO[C@H](CC(=O)[O-])C2)cc1 ZINC000833076842 601739870 /nfs/dbraw/zinc/73/98/70/601739870.db2.gz PRLBGJUTSPQAFE-MRXNPFEDSA-N -1 0 382.441 3.025 20 30 GGEDRM N#Cc1ccc(Oc2ccc(C(=O)N[C@@H](C(=O)[O-])c3ccccc3F)cc2)nc1 ZINC000833070982 601743472 /nfs/dbraw/zinc/74/34/72/601743472.db2.gz DWHIRPJENUCQHY-LJQANCHMSA-N -1 0 391.358 3.440 20 30 GGEDRM C=CCOc1ccc(/C=C/C(=O)N[C@H](C(=O)[O-])c2ccccc2F)cc1OC ZINC000776665718 601746433 /nfs/dbraw/zinc/74/64/33/601746433.db2.gz FLPMYQVQQHVRGC-BQYDLMEBSA-N -1 0 385.391 3.354 20 30 GGEDRM C=CCOc1ccc(/C=C/C(=O)N[C@@H](C(=O)[O-])c2ccccc2F)cc1OC ZINC000776665720 601746466 /nfs/dbraw/zinc/74/64/66/601746466.db2.gz FLPMYQVQQHVRGC-WAEYIKQSSA-N -1 0 385.391 3.354 20 30 GGEDRM C=C[C@@H](C)NC(=O)Nc1cccc(-c2c(C(=O)[O-])c(C(=O)OC)c3n2CCC3)c1 ZINC000825660181 601752896 /nfs/dbraw/zinc/75/28/96/601752896.db2.gz 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20 30 GGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000126020948 1415338490 /nfs/dbraw/zinc/33/84/90/1415338490.db2.gz CUVHPJXROGSSRB-GFCCVEGCSA-N -1 0 396.241 3.295 20 30 GGEDRM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)CSc1ccc(C#N)cc1 ZINC000735874869 1428931797 /nfs/dbraw/zinc/93/17/97/1428931797.db2.gz NJZXPDWGYLBCBR-UHFFFAOYSA-N -1 0 392.488 3.268 20 30 GGEDRM Cc1cc(C([O-])=C(C#N)C(=O)NCc2ccccc2)c(C)n1Cc1ccccn1 ZINC000126810868 1415567285 /nfs/dbraw/zinc/56/72/85/1415567285.db2.gz AEGFQPOFQVCYKW-NRFANRHFSA-N -1 0 386.455 3.187 20 30 GGEDRM C=CCn1c(=O)c2ccc(C(=O)NCc3nc(C4CC4)cs3)cc2[n-]c1=S ZINC000126920593 1415610177 /nfs/dbraw/zinc/61/01/77/1415610177.db2.gz QTOMKHHQNSRZAR-UHFFFAOYSA-N -1 0 398.513 3.135 20 30 GGEDRM N#CC(C(=O)NCc1ccccc1)=C([O-])c1csc(Cc2ccccc2)n1 ZINC000126967252 1415620302 /nfs/dbraw/zinc/62/03/02/1415620302.db2.gz OGGHYYKKVSUDTG-QGZVFWFLSA-N -1 0 375.453 3.373 20 30 GGEDRM N#CC(C(=O)NCc1ccccc1)=C([O-])c1ccc(COc2ccccc2C#N)o1 ZINC000126980382 1415623357 /nfs/dbraw/zinc/62/33/57/1415623357.db2.gz IDJXFUVXVVHTEL-LJQANCHMSA-N -1 0 399.406 3.369 20 30 GGEDRM C=CCn1c(=O)c2ccc(C(=O)N[C@@H]3CCC[C@@H]3SCC)cc2[n-]c1=S ZINC000178069656 1428968881 /nfs/dbraw/zinc/96/88/81/1428968881.db2.gz GMQPMCPWPKFZRH-ZBFHGGJFSA-N -1 0 389.546 3.275 20 30 GGEDRM Cc1oc(-c2cccs2)nc1C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000737548210 1428975752 /nfs/dbraw/zinc/97/57/52/1428975752.db2.gz ONBFMIZVRIMBNY-UHFFFAOYSA-N -1 0 377.389 3.016 20 30 GGEDRM Cc1ccc(OC(F)F)c(CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)c1 ZINC000826292066 1428977448 /nfs/dbraw/zinc/97/74/48/1428977448.db2.gz GRGFBJQCDBOAND-UHFFFAOYSA-N -1 0 379.758 3.271 20 30 GGEDRM Cc1ccc(-n2nc(C([O-])=C(C#N)C(=O)NC3CCCCC3)c3c2CCC3)cc1 ZINC000127412244 1415770079 /nfs/dbraw/zinc/77/00/79/1415770079.db2.gz XIACLLOQPKAORK-LJQANCHMSA-N -1 0 390.487 3.441 20 30 GGEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1cccc(NC(=O)c2ccco2)c1 ZINC000127442694 1415780530 /nfs/dbraw/zinc/78/05/30/1415780530.db2.gz GRHUYFDFFDNHED-QGZVFWFLSA-N 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CSc1[n-]c(=O)c(C(=O)N2CCc3[nH]c4ccc(Cl)cc4c3C2)cc1C#N ZINC000127715240 1415837896 /nfs/dbraw/zinc/83/78/96/1415837896.db2.gz QLXYJZODBKNRSJ-UHFFFAOYSA-N -1 0 398.875 3.302 20 30 GGEDRM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2nc(-c3ccco3)cs2)c1 ZINC000127803128 1415853431 /nfs/dbraw/zinc/85/34/31/1415853431.db2.gz VBZCAUUUHXDKTD-UHFFFAOYSA-N -1 0 389.458 3.120 20 30 GGEDRM N#Cc1cccc(OCCCCC(=O)OCc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000737731024 1429030189 /nfs/dbraw/zinc/03/01/89/1429030189.db2.gz VVPMZVOZKLRPFO-UHFFFAOYSA-N -1 0 395.394 3.170 20 30 GGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Br)c([N+](=O)[O-])c2)cc1 ZINC000178223282 1429022335 /nfs/dbraw/zinc/02/23/35/1429022335.db2.gz QHHOJYKLSIPBOM-UHFFFAOYSA-N -1 0 382.195 3.030 20 30 GGEDRM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2csc(NC(C)=O)n2)cc1 ZINC000128616442 1416026046 /nfs/dbraw/zinc/02/60/46/1416026046.db2.gz QUEBWXHRZVFGFY-HNNXBMFYSA-N -1 0 384.461 3.405 20 30 GGEDRM N#Cc1cc(F)c(S(=O)(=O)[N-]c2cccc(OC[C@@H]3CCCO3)c2)c(F)c1 ZINC000128673525 1416039028 /nfs/dbraw/zinc/03/90/28/1416039028.db2.gz JKXPBWJZHZXZFU-HNNXBMFYSA-N -1 0 394.399 3.195 20 30 GGEDRM CN(C(=O)c1ccc(S(=O)(=O)[N-]c2ccncc2)cc1)c1cccc(C#N)c1 ZINC000128707964 1416047431 /nfs/dbraw/zinc/04/74/31/1416047431.db2.gz GQOJLPOTOROMLX-UHFFFAOYSA-N -1 0 392.440 3.031 20 30 GGEDRM Cc1cc(C)n(-c2ccccc2[N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)n1 ZINC000128716960 1416050493 /nfs/dbraw/zinc/05/04/93/1416050493.db2.gz RJACQTNTCVQZFB-UHFFFAOYSA-N -1 0 388.399 3.440 20 30 GGEDRM CC(=O)NCc1ccc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)cc1 ZINC000128801342 1416072139 /nfs/dbraw/zinc/07/21/39/1416072139.db2.gz VCWYBYQFJDSKKO-QGZVFWFLSA-N -1 0 376.441 3.331 20 30 GGEDRM N#C[C@H](C(=O)Nc1cccc2ccccc21)C(=O)c1cn(-c2ccccc2)nn1 ZINC000128832162 1416080069 /nfs/dbraw/zinc/08/00/69/1416080069.db2.gz SLGVUGAORPXCSZ-SFHVURJKSA-N -1 0 381.395 3.382 20 30 GGEDRM N#C[C@@H](C(=O)Nc1cccc2ccccc21)C(=O)c1cn(-c2ccccc2)nn1 ZINC000128831971 1416080292 /nfs/dbraw/zinc/08/02/92/1416080292.db2.gz SLGVUGAORPXCSZ-GOSISDBHSA-N -1 0 381.395 3.382 20 30 GGEDRM COc1ccc(CCNC(=O)C(C#N)=C([O-])c2ccc(C)c(C)c2)cc1OC ZINC000128858186 1416086397 /nfs/dbraw/zinc/08/63/97/1416086397.db2.gz FPNBWMWJKQKEFH-GOSISDBHSA-N -1 0 380.444 3.002 20 30 GGEDRM COc1ccc(CCNC(=O)C(C#N)=C([O-])c2cc(C)sc2C)cc1OC ZINC000128870816 1416089384 /nfs/dbraw/zinc/08/93/84/1416089384.db2.gz KXFLIDDVEBYYOX-INIZCTEOSA-N -1 0 386.473 3.064 20 30 GGEDRM C[C@H](Nc1c(-c2nn[n-]n2)cnc2c(F)ccc(F)c21)c1ccc(C#N)cc1 ZINC000736139986 1429046594 /nfs/dbraw/zinc/04/65/94/1429046594.db2.gz SJLYGLAOCOHGQC-JTQLQIEISA-N -1 0 377.358 3.160 20 30 GGEDRM CC(C[C@H](C)NC(=O)OC(C)(C)C)N=Nc1oc(C(C)C)nc1-c1nn[n-]n1 ZINC000824390766 1429063520 /nfs/dbraw/zinc/06/35/20/1429063520.db2.gz DESKWQNOGMFSKK-JTQLQIEISA-N -1 0 392.464 3.069 20 30 GGEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1C[C@]1(C)c1ccccc1 ZINC000819744124 1429073752 /nfs/dbraw/zinc/07/37/52/1429073752.db2.gz XISGNSTZEZDJHY-DENIHFKCSA-N -1 0 388.475 3.295 20 30 GGEDRM N#CC(C(=O)NC1CC1)=C([O-])c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 ZINC000129294355 1416186656 /nfs/dbraw/zinc/18/66/56/1416186656.db2.gz HSOHGMJCACXXBG-OAHLLOKOSA-N -1 0 389.333 3.494 20 30 GGEDRM N#CC(C(=O)NC1CC1)=C([O-])c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1 ZINC000129329331 1416192229 /nfs/dbraw/zinc/19/22/29/1416192229.db2.gz ZFZBLQJPIYKNJQ-HNNXBMFYSA-N -1 0 394.818 3.387 20 30 GGEDRM COc1ccccc1NC(=O)C(C#N)=C([O-])c1sccc1Br ZINC000129960425 1416291412 /nfs/dbraw/zinc/29/14/12/1416291412.db2.gz NWQNCAKLQUHCQO-SECBINFHSA-N -1 0 379.235 3.480 20 30 GGEDRM CC(C)(Oc1ccc(C#N)cc1)C(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000130067704 1416311408 /nfs/dbraw/zinc/31/14/08/1416311408.db2.gz XQUNIYXIJQOPMO-UHFFFAOYSA-N -1 0 398.484 3.100 20 30 GGEDRM Cc1nn(-c2ccccc2)c(C)c1[N-]S(=O)(=O)c1ccc(C#N)cc1[N+](=O)[O-] ZINC000130316997 1416357216 /nfs/dbraw/zinc/35/72/16/1416357216.db2.gz JIWSAAVDFYXVTD-UHFFFAOYSA-N -1 0 397.416 3.070 20 30 GGEDRM Cc1cc(C)n(-c2ccccc2[N-]S(=O)(=O)c2ccc(C#N)cc2[N+](=O)[O-])n1 ZINC000130330167 1416359457 /nfs/dbraw/zinc/35/94/57/1416359457.db2.gz HDTPJEGSGOWHBU-UHFFFAOYSA-N -1 0 397.416 3.070 20 30 GGEDRM CC(C)COc1ccccc1[N-]S(=O)(=O)c1ccc(C#N)cc1[N+](=O)[O-] ZINC000130352597 1416363175 /nfs/dbraw/zinc/36/31/75/1416363175.db2.gz KPYCAEPDFBYGNB-UHFFFAOYSA-N -1 0 375.406 3.302 20 30 GGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)c(F)c2)c([N+](=O)[O-])c1 ZINC000130353078 1416363274 /nfs/dbraw/zinc/36/32/74/1416363274.db2.gz CQASBKIPCZROBE-UHFFFAOYSA-N -1 0 390.396 3.007 20 30 GGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3nccs3)c2)c([N+](=O)[O-])c1 ZINC000130351508 1416363337 /nfs/dbraw/zinc/36/33/37/1416363337.db2.gz YWBDYYILPZTFIK-UHFFFAOYSA-N -1 0 386.414 3.391 20 30 GGEDRM CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2[N+](=O)[O-])c(F)c1 ZINC000130374097 1416366778 /nfs/dbraw/zinc/36/67/78/1416366778.db2.gz AJHDAZQFZHIOLA-UHFFFAOYSA-N -1 0 379.369 3.194 20 30 GGEDRM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2[N+](=O)[O-])cc1OCC(F)F ZINC000130380077 1416368124 /nfs/dbraw/zinc/36/81/24/1416368124.db2.gz NPUSHJDPVHSLNG-UHFFFAOYSA-N -1 0 397.359 3.220 20 30 GGEDRM Cc1cc(NC(=O)c2cccc(F)c2)sc1C([O-])=C(C#N)C(=O)NC(C)C ZINC000130965203 1416488822 /nfs/dbraw/zinc/48/88/22/1416488822.db2.gz HUQGGVPECKOWAW-AWEZNQCLSA-N -1 0 387.436 3.295 20 30 GGEDRM Cc1ccc(Cc2nc(C([O-])=C(C#N)C(=O)Nc3ccccn3)cs2)cc1 ZINC000131410154 1416553151 /nfs/dbraw/zinc/55/31/51/1416553151.db2.gz KCMSRJIXGZKSOR-OAHLLOKOSA-N -1 0 376.441 3.399 20 30 GGEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1ccc(Sc2ccccc2Cl)nn1 ZINC000131953747 1416658625 /nfs/dbraw/zinc/65/86/25/1416658625.db2.gz AUUCUPUOUUWDTF-LBPRGKRZSA-N -1 0 386.864 3.226 20 30 GGEDRM O=C(C=Cc1ccc(Oc2cnccn2)cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826401469 1429117079 /nfs/dbraw/zinc/11/70/79/1429117079.db2.gz ZTRXOUUTAXGEOV-FPYGCLRLSA-N -1 0 388.362 3.484 20 30 GGEDRM C=CCNC(=O)C(C#N)=C([O-])c1ccc(Br)c(C(F)(F)F)c1 ZINC000131995441 1416668863 /nfs/dbraw/zinc/66/88/63/1416668863.db2.gz YLJWFZFXYFJALT-VIFPVBQESA-N -1 0 375.144 3.093 20 30 GGEDRM CC(C)NC(=O)C(C#N)=C([O-])c1ccc(Br)c(C(F)(F)F)c1 ZINC000132007879 1416672425 /nfs/dbraw/zinc/67/24/25/1416672425.db2.gz VEODRICROUPVBB-VIFPVBQESA-N -1 0 377.160 3.315 20 30 GGEDRM C=CCCCSc1nc(N)c(C(=O)Nc2ccccc2)cc1-c1nn[n-]n1 ZINC000735413245 1429119234 /nfs/dbraw/zinc/11/92/34/1429119234.db2.gz QWDJMBFUUYQIPY-UHFFFAOYSA-N -1 0 381.465 3.155 20 30 GGEDRM C=CCn1c(=O)c2ccc(C(=O)N3CCc4cccc(F)c4C3)cc2[n-]c1=S ZINC000132446185 1416762297 /nfs/dbraw/zinc/76/22/97/1416762297.db2.gz WHYKUCZXSSUOEL-UHFFFAOYSA-N -1 0 395.459 3.209 20 30 GGEDRM Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1cccc(OCc2cccc(C#N)c2)c1 ZINC000132554042 1416784487 /nfs/dbraw/zinc/78/44/87/1416784487.db2.gz YWHAQUTVYSOAGD-UHFFFAOYSA-N -1 0 396.472 3.288 20 30 GGEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1cncc(-c2ccc3c(c2)CCO3)c1 ZINC000132637982 1416798123 /nfs/dbraw/zinc/79/81/23/1416798123.db2.gz NGHWPUQLVQAMCM-HXUWFJFHSA-N -1 0 389.455 3.455 20 30 GGEDRM COC(=O)c1ccc(C([O-])=C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)o1 ZINC000132660114 1416801105 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GGEDRM Cc1ccc(N(CCC#N)S(=O)(=O)c2cc(C)c(F)c(C(=O)[O-])c2)cc1 ZINC000133966667 1417003016 /nfs/dbraw/zinc/00/30/16/1417003016.db2.gz SLHJZJCSOPVLSR-UHFFFAOYSA-N -1 0 376.409 3.250 20 30 GGEDRM Cc1nn(-c2ccccc2C)c2sc(C(=O)Nc3nc(C#N)c(C#N)[n-]3)cc12 ZINC000134910446 1417142854 /nfs/dbraw/zinc/14/28/54/1417142854.db2.gz PPYVGWDQDZQQNN-UHFFFAOYSA-N -1 0 387.428 3.423 20 30 GGEDRM Cc1ccc(-c2nc(C([O-])=C(C#N)C(=O)NCc3ccccc3)cs2)n1C ZINC000136568446 1417327116 /nfs/dbraw/zinc/32/71/16/1417327116.db2.gz OAEPCQKATOURDP-HNNXBMFYSA-N -1 0 378.457 3.096 20 30 GGEDRM Cc1cccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2OC(F)F)c1C#N ZINC000137265984 1417378566 /nfs/dbraw/zinc/37/85/66/1417378566.db2.gz ZXZAQKSJGULTOR-UHFFFAOYSA-N -1 0 383.332 3.177 20 30 GGEDRM Cc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCC3)cc2C)c1C#N ZINC000137380750 1417382839 /nfs/dbraw/zinc/38/28/39/1417382839.db2.gz ACZKRXHHRDKNLY-UHFFFAOYSA-N -1 0 383.473 3.212 20 30 GGEDRM COc1cc(-c2nn[n-]n2)ccc1COc1ccc(Br)cc1C#N ZINC000826173102 1429185611 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395.390 3.464 20 30 GGEDRM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2OCC2CC2)c1 ZINC000150876711 1417826273 /nfs/dbraw/zinc/82/62/73/1417826273.db2.gz XTIGOABBYXSZIL-UHFFFAOYSA-N -1 0 386.473 3.192 20 30 GGEDRM N#Cc1ccccc1COc1ccc(C(=O)[N-]S(=O)(=O)C2CCCC2)cc1 ZINC000151220634 1417896376 /nfs/dbraw/zinc/89/63/76/1417896376.db2.gz IOVBYSYOKQPGTO-UHFFFAOYSA-N -1 0 384.457 3.139 20 30 GGEDRM C=CCN(C(=O)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1)C1CC1 ZINC000823903846 1429220906 /nfs/dbraw/zinc/22/09/06/1429220906.db2.gz MBOLWYVIIPGPSD-UHFFFAOYSA-N -1 0 375.432 3.236 20 30 GGEDRM CC(C)CC1(C(=O)[N-]S(=O)(=O)c2cc(Br)cc(C#N)c2)CCC1 ZINC000151245562 1417902622 /nfs/dbraw/zinc/90/26/22/1417902622.db2.gz CSRQEMBGHVHOEZ-UHFFFAOYSA-N -1 0 399.310 3.342 20 30 GGEDRM C[C@H](NC(=O)c1cc(C#N)c[nH]1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824513546 1429216754 /nfs/dbraw/zinc/21/67/54/1429216754.db2.gz CDFUESLIRSWZFP-ZDUSSCGKSA-N -1 0 383.415 3.224 20 30 GGEDRM N#Cc1cc(NC(=O)C(=O)[N-]OCc2ccc(C(F)(F)F)cc2)ccc1Cl ZINC000151380752 1417942618 /nfs/dbraw/zinc/94/26/18/1417942618.db2.gz KXKQGSAZVDXLID-UHFFFAOYSA-N -1 0 397.740 3.417 20 30 GGEDRM Cc1nc([N-]S(=O)(=O)c2ccc(F)cc2Cl)n(-c2ccc(C#N)cc2)n1 ZINC000151526319 1418013527 /nfs/dbraw/zinc/01/35/27/1418013527.db2.gz TVDQHOTVJHNJBG-UHFFFAOYSA-N -1 0 391.815 3.041 20 30 GGEDRM N#Cc1cc(Br)cc(S(=O)(=O)[N-]C(=O)CCC2CCCC2)c1 ZINC000151727811 1418072745 /nfs/dbraw/zinc/07/27/45/1418072745.db2.gz JXLKANWPKMXPPO-UHFFFAOYSA-N -1 0 385.283 3.096 20 30 GGEDRM Cc1c(C([O-])=C(C#N)c2nc3ccccc3o2)cnn1CCO[C@@H]1CCCCO1 ZINC000179009161 1429242192 /nfs/dbraw/zinc/24/21/92/1429242192.db2.gz XUXMKKATVSGXEX-HNAYVOBHSA-N -1 0 394.431 3.366 20 30 GGEDRM CCCCCCC[C@@]1(C)NC(=O)N([N-]C(=O)c2cc(F)c(F)cc2F)C1=O ZINC000179007800 1429241603 /nfs/dbraw/zinc/24/16/03/1429241603.db2.gz TXRBTKKPYFRMQB-GOSISDBHSA-N -1 0 385.386 3.420 20 30 GGEDRM C#CCN(CC)C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2OC)cc1 ZINC000819697946 1429245621 /nfs/dbraw/zinc/24/56/21/1429245621.db2.gz 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O=C(C=Cc1c[nH]nc1-c1c(F)cccc1F)c1ccc(-c2nn[n-]n2)s1 ZINC000826400024 1429343069 /nfs/dbraw/zinc/34/30/69/1429343069.db2.gz NDWQOSWFFBNRKR-PLNGDYQASA-N -1 0 384.371 3.493 20 30 GGEDRM O=C1C[C@@H](C/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])CN1Cc1ccccc1 ZINC000179366231 1429346467 /nfs/dbraw/zinc/34/64/67/1429346467.db2.gz UIGJMEWWBDVBMW-MNUWJXFPSA-N -1 0 387.823 3.421 20 30 GGEDRM CN(C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000736743030 1429349359 /nfs/dbraw/zinc/34/93/59/1429349359.db2.gz XCWPBFUGIHMOHE-UHFFFAOYSA-N -1 0 397.398 3.202 20 30 GGEDRM COc1cc(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)ccc1OC(F)F ZINC000821703177 1429353118 /nfs/dbraw/zinc/35/31/18/1429353118.db2.gz SGAPMUWTKJFGNV-ARJAWSKDSA-N -1 0 378.360 3.434 20 30 GGEDRM COc1ccc(OC(F)F)c(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000826210861 1429359297 /nfs/dbraw/zinc/35/92/97/1429359297.db2.gz HRBXTNBKBLYNIQ-RQOWECAXSA-N -1 0 378.360 3.434 20 30 GGEDRM N#C[C@@H](C(=O)c1cc(-c2nn[n-]n2)cs1)c1nc2ccccc2n1C(F)F ZINC000822802394 1429368218 /nfs/dbraw/zinc/36/82/18/1429368218.db2.gz ZYDPYTVALJPEEB-VIFPVBQESA-N -1 0 385.359 3.163 20 30 GGEDRM N#Cc1ccc(Oc2ccc(NC(=O)Cc3cccc(-c4nnn[n-]4)c3)cn2)cc1 ZINC000822833724 1429389327 /nfs/dbraw/zinc/38/93/27/1429389327.db2.gz VIOMDGSSNACREH-UHFFFAOYSA-N -1 0 397.398 3.107 20 30 GGEDRM C=CCOc1ccccc1CNC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000735436129 1429406808 /nfs/dbraw/zinc/40/68/08/1429406808.db2.gz GHAJWDDNOGCNBY-UHFFFAOYSA-N -1 0 384.827 3.407 20 30 GGEDRM CCOc1cc(C#N)cc(Cl)c1OC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000821395307 1429416225 /nfs/dbraw/zinc/41/62/25/1429416225.db2.gz VTAMGFLATDDPOM-UHFFFAOYSA-N -1 0 375.797 3.071 20 30 GGEDRM C[C@H](NC(=O)N(Cc1ccc(C#N)cc1)C1CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736112067 1429426266 /nfs/dbraw/zinc/42/62/66/1429426266.db2.gz PEEAUEGQWDDZSA-AWEZNQCLSA-N -1 0 387.447 3.174 20 30 GGEDRM Cc1cc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)ccc1Br ZINC000826260385 1429433488 /nfs/dbraw/zinc/43/34/88/1429433488.db2.gz LMXDKSMUJGDXTM-UHFFFAOYSA-N -1 0 383.209 3.062 20 30 GGEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=S)NCCc1cccs1 ZINC000735420736 1429451643 /nfs/dbraw/zinc/45/16/43/1429451643.db2.gz RLYSPZINPOCVOX-UHFFFAOYSA-N -1 0 384.534 3.033 20 30 GGEDRM N#Cc1ccc([O-])c(NC(=O)[C@H]2CCCN(C(=O)Nc3ccccc3F)C2)c1 ZINC000179730170 1429526396 /nfs/dbraw/zinc/52/63/96/1429526396.db2.gz KDPHQLHTKRRUJJ-AWEZNQCLSA-N -1 0 382.395 3.286 20 30 GGEDRM C=CCCOCCNC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000823898793 1429526873 /nfs/dbraw/zinc/52/68/73/1429526873.db2.gz BOJFTHWTENFXBW-UHFFFAOYSA-N -1 0 397.410 3.121 20 30 GGEDRM CN(C)c1ccc(C#N)c([N-]S(=O)(=O)c2cc(F)ccc2Br)c1 ZINC000152480948 1422115393 /nfs/dbraw/zinc/11/53/93/1422115393.db2.gz JSZIYMXWVBMTQY-UHFFFAOYSA-N -1 0 398.257 3.327 20 30 GGEDRM Cc1ccc(-n2cnnc2SCC(=O)Nc2cc(C#N)ccc2[O-])cc1C ZINC000179742282 1429532602 /nfs/dbraw/zinc/53/26/02/1429532602.db2.gz UFEZVRBAVXARDI-UHFFFAOYSA-N -1 0 379.445 3.192 20 30 GGEDRM CCC[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)Nc1cc(C#N)ccc1[O-] ZINC000179734767 1429528648 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399.447 3.312 20 30 GGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2OC[C@H]2CCCCO2)c(F)c1 ZINC000158088015 1424163707 /nfs/dbraw/zinc/16/37/07/1424163707.db2.gz XSBFLCKLLCTYPW-OAHLLOKOSA-N -1 0 390.436 3.446 20 30 GGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)c3ccoc3)c2)c(F)c1 ZINC000158109747 1424169125 /nfs/dbraw/zinc/16/91/25/1424169125.db2.gz CTQGIYAIGMNWED-UHFFFAOYSA-N -1 0 385.376 3.343 20 30 GGEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H]1CCCC(F)(F)C1 ZINC000819742864 1424180999 /nfs/dbraw/zinc/18/09/99/1424180999.db2.gz AYSFYUZRBCXTQS-HNNXBMFYSA-N -1 0 376.411 3.142 20 30 GGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2OC[C@@H]2CCCO2)c(F)c1 ZINC000158155940 1424181334 /nfs/dbraw/zinc/18/13/34/1424181334.db2.gz MSAHSANBMCJIIY-AWEZNQCLSA-N -1 0 394.399 3.195 20 30 GGEDRM COc1ccccc1-c1ccc(CN=Nc2oc(C)nc2-c2nn[n-]n2)cc1 ZINC000737143038 1429711024 /nfs/dbraw/zinc/71/10/24/1429711024.db2.gz OOAPNCBUOISUJG-UHFFFAOYSA-N -1 0 375.392 3.285 20 30 GGEDRM N#Cc1cc(NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)ccc1F 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C=CCc1cc(C(=O)OCc2cccc(-c3nn[n-]n3)c2F)cc(OC)c1OC ZINC000823937433 1424592621 /nfs/dbraw/zinc/59/26/21/1424592621.db2.gz XSCWKDKXBNCVCV-UHFFFAOYSA-N -1 0 398.394 3.109 20 30 GGEDRM CC(C)(Oc1ccc(C#N)cc1)C(=O)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000824178497 1429740192 /nfs/dbraw/zinc/74/01/92/1429740192.db2.gz VBCLEAYKOMFXGP-UHFFFAOYSA-N -1 0 397.822 3.293 20 30 GGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2OC(F)F)c([N+](=O)[O-])c1 ZINC000161119755 1424659822 /nfs/dbraw/zinc/65/98/22/1424659822.db2.gz ROGXEJZPYDYFIM-UHFFFAOYSA-N -1 0 387.295 3.008 20 30 GGEDRM O=C(/C=C/c1c(C2CC2)nc2sccn12)c1ccc(-c2nn[n-]n2)cc1F ZINC000826399652 1424715412 /nfs/dbraw/zinc/71/54/12/1424715412.db2.gz BILPXGDRPVRADI-AATRIKPKSA-N -1 0 380.408 3.489 20 30 GGEDRM N#Cc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)ccc1F ZINC000161620924 1424726274 /nfs/dbraw/zinc/72/62/74/1424726274.db2.gz DYNRARLRGSEYOV-UHFFFAOYSA-N -1 0 389.286 3.425 20 30 GGEDRM N#CC(=C([O-])c1ccc(Cl)c(F)c1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000161926429 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GGEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cc(C)n([C@@H](C)CC)n1 ZINC000823914782 1424920577 /nfs/dbraw/zinc/92/05/77/1424920577.db2.gz NNNVJIIPGBJQSQ-AWEZNQCLSA-N -1 0 379.468 3.171 20 30 GGEDRM Cn1cc(C#N)cc1C(=O)Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822668951 1424934784 /nfs/dbraw/zinc/93/47/84/1424934784.db2.gz DWPBPZGSRVTUQH-UHFFFAOYSA-N -1 0 386.371 3.088 20 30 GGEDRM N#Cc1csc(CNc2ccn(-c3ccc(Cl)cc3-c3nn[n-]n3)n2)c1 ZINC000826387726 1424954168 /nfs/dbraw/zinc/95/41/68/1424954168.db2.gz NMKQPZRFRTWFTA-UHFFFAOYSA-N -1 0 382.840 3.251 20 30 GGEDRM C#CCSCCNC(=O)c1cc(Br)c([O-])c(Br)c1 ZINC000163237852 1424964415 /nfs/dbraw/zinc/96/44/15/1424964415.db2.gz LWYLJKAEEAYYRZ-UHFFFAOYSA-N -1 0 393.100 3.013 20 30 GGEDRM O=[N+]([O-])c1cc(C(F)(F)F)ccc1N=NCc1ccc(-c2nn[n-]n2)s1 ZINC000823635467 1424971376 /nfs/dbraw/zinc/97/13/76/1424971376.db2.gz XHPHAIYNZCHLCU-UHFFFAOYSA-N -1 0 383.315 3.301 20 30 GGEDRM N#Cc1cc(F)c(S(=O)(=O)[N-][C@H]2CCO[C@@H](c3ccccc3)C2)c(F)c1 ZINC000163376906 1424987056 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395.448 3.205 20 30 GGEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H](C)c1csc(C)n1 ZINC000735418666 1425028454 /nfs/dbraw/zinc/02/84/54/1425028454.db2.gz IEUXKUHVVUWYMA-GFCCVEGCSA-N -1 0 383.481 3.090 20 30 GGEDRM Cc1nc(-c2nn[n-]n2)c(N=NC(C)c2cc(Cl)ccc2OC(F)F)o1 ZINC000819782524 1425131675 /nfs/dbraw/zinc/13/16/75/1425131675.db2.gz MTGQCVPKOQSSSR-UHFFFAOYSA-N -1 0 383.746 3.254 20 30 GGEDRM CC(C)NC(=O)C(C#N)=C([O-])c1cc(Br)cc(C(F)(F)F)c1 ZINC000165548026 1425184572 /nfs/dbraw/zinc/18/45/72/1425184572.db2.gz CNGJFJDYJOJGDW-NSHDSACASA-N -1 0 377.160 3.315 20 30 GGEDRM CC(C)NC(=O)C(C#N)=C([O-])c1cc(Br)cc(C(F)(F)F)c1 ZINC000165548168 1425185151 /nfs/dbraw/zinc/18/51/51/1425185151.db2.gz CNGJFJDYJOJGDW-LLVKDONJSA-N -1 0 377.160 3.315 20 30 GGEDRM Fc1ccccc1NC(=S)NN=C1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000822796728 1425190715 /nfs/dbraw/zinc/19/07/15/1425190715.db2.gz XAOJFGBWHZASTQ-UHFFFAOYSA-N -1 0 381.440 3.033 20 30 GGEDRM COc1cc(C)c(C(C)=NNc2cc(-c3nn[n-]n3)cc(Cl)n2)cc1OC ZINC000826177392 1425229897 /nfs/dbraw/zinc/22/98/97/1425229897.db2.gz GNLNPDCWQIDFEV-UHFFFAOYSA-N -1 0 387.831 3.077 20 30 GGEDRM Cc1c(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)cnn1-c1ccc(F)cc1 ZINC000822015472 1425240428 /nfs/dbraw/zinc/24/04/28/1425240428.db2.gz KDJZWHKPAQNMDQ-SOFGYWHQSA-N -1 0 380.408 3.458 20 30 GGEDRM C=CCOc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)cc1OC ZINC000823932138 1425269351 /nfs/dbraw/zinc/26/93/51/1425269351.db2.gz PQFADMHJXAFWQK-YWEYNIOJSA-N -1 0 380.379 3.475 20 30 GGEDRM COCCNC(=O)C(C#N)=C([O-])c1cc2c(s1)-c1ccccc1C(C)(C)C2 ZINC000170672617 1425290020 /nfs/dbraw/zinc/29/00/20/1425290020.db2.gz SAWVLECVLLIALV-OAHLLOKOSA-N -1 0 382.485 3.334 20 30 GGEDRM Fc1ccc(Br)cc1C=NNc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000826373635 1425310071 /nfs/dbraw/zinc/31/00/71/1425310071.db2.gz ULYVLGMHZKUUQV-UHFFFAOYSA-N -1 0 396.611 3.263 20 30 GGEDRM CC(N=Nc1nc(-c2ccc(Cl)cc2)no1)c1ccc(-c2nn[n-]n2)s1 ZINC000823963219 1425311106 /nfs/dbraw/zinc/31/11/06/1425311106.db2.gz YIBOKTKBHRBTHI-UHFFFAOYSA-N -1 0 386.828 3.468 20 30 GGEDRM C=CCc1cc(C(=O)Nc2ccc(-c3nc(=O)o[n-]3)cc2)cc(OC)c1OC ZINC000170748016 1425326327 /nfs/dbraw/zinc/32/63/27/1425326327.db2.gz SWDLAAWTZAULAB-UHFFFAOYSA-N -1 0 381.388 3.028 20 30 GGEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1CCO[C@H](CC(C)C)C1 ZINC000823909937 1425336382 /nfs/dbraw/zinc/33/63/82/1425336382.db2.gz SMJLOQQZIAAVCM-RTBURBONSA-N -1 0 398.511 3.158 20 30 GGEDRM COc1ccc(C#N)cc1NC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737065486 1425339792 /nfs/dbraw/zinc/33/97/92/1425339792.db2.gz MTDVMXHFADHGLW-UHFFFAOYSA-N -1 0 385.840 3.209 20 30 GGEDRM N#Cc1ccc(NC(=O)CNc2ccc(-c3nn[n-]n3)cc2Cl)cc1Cl ZINC000822829786 1425347570 /nfs/dbraw/zinc/34/75/70/1425347570.db2.gz IYMYJOKPDGUHIH-UHFFFAOYSA-N -1 0 388.218 3.096 20 30 GGEDRM N#Cc1cccc(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2Cl)c1 ZINC000170960349 1425417494 /nfs/dbraw/zinc/41/74/94/1425417494.db2.gz FTWMQFUKZXGCSD-HUUCEWRRSA-N -1 0 395.267 3.474 20 30 GGEDRM C=CCCS(=O)(=O)Oc1ccccc1Oc1ccc(-c2nn[n-]n2)cc1F ZINC000823899113 1425432311 /nfs/dbraw/zinc/43/23/11/1425432311.db2.gz MBGGXSHRXWGKOS-UHFFFAOYSA-N -1 0 390.396 3.083 20 30 GGEDRM Cc1ccc(N(CCC#N)C(=O)c2ccc3c(c2)[n-]c(=S)n(C)c3=O)cc1 ZINC000171028665 1425446365 /nfs/dbraw/zinc/44/63/65/1425446365.db2.gz UCKOQSPTYFFKRG-UHFFFAOYSA-N -1 0 378.457 3.091 20 30 GGEDRM CC(C)(C)c1ccc(Cn2nccc2[N-]S(=O)(=O)c2ccc(C#N)nc2)cc1 ZINC000171151087 1425510412 /nfs/dbraw/zinc/51/04/12/1425510412.db2.gz KPZBGUQEYITISO-UHFFFAOYSA-N -1 0 395.488 3.296 20 30 GGEDRM Cc1ccccc1-c1nc(C([O-])=C(C#N)C(=O)NCCCOC(C)C)cs1 ZINC000171363859 1425641018 /nfs/dbraw/zinc/64/10/18/1425641018.db2.gz NMPYXSTVWIKYKD-INIZCTEOSA-N -1 0 385.489 3.372 20 30 GGEDRM Cc1nc(-c2nn[n-]n2)c(N=NC(C)c2cnn(-c3cc(C)ccc3C)c2C)o1 ZINC000735451374 1425659284 /nfs/dbraw/zinc/65/92/84/1425659284.db2.gz YYCVXHRSLWHVDJ-UHFFFAOYSA-N -1 0 391.439 3.110 20 30 GGEDRM N#Cc1cccc(CS(=O)(=O)[N-]C(=O)C[C@@H](c2ccccc2)C(F)(F)F)c1 ZINC000171407909 1425666424 /nfs/dbraw/zinc/66/64/24/1425666424.db2.gz 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O=C(NCC#Cc1ccccc1)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738037634 1425797576 /nfs/dbraw/zinc/79/75/76/1425797576.db2.gz DXJPRTWEQDVIDO-UHFFFAOYSA-N -1 0 394.438 3.392 20 30 GGEDRM COc1ccc2c(c1)CCC[C@@H]2CC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000737115985 1425817093 /nfs/dbraw/zinc/81/70/93/1425817093.db2.gz SSVLZGOBYRHVNE-CQSZACIVSA-N -1 0 388.431 3.196 20 30 GGEDRM C[C@@H](C#N)CNC(=O)c1ccc2c(c1)[n-]c(=S)n(CCc1ccccc1)c2=O ZINC000171841608 1425833224 /nfs/dbraw/zinc/83/32/24/1425833224.db2.gz DOBCEROOENMFPD-AWEZNQCLSA-N -1 0 392.484 3.191 20 30 GGEDRM Cc1nc(-c2cccc(C(=O)Nc3ccc(C#N)c(-c4nnn[n-]4)c3)c2)cs1 ZINC000822418870 1425908152 /nfs/dbraw/zinc/90/81/52/1425908152.db2.gz HLKAKRWFAOSTNI-UHFFFAOYSA-N -1 0 387.428 3.423 20 30 GGEDRM CC(=NNc1cccc(-c2nn[n-]n2)c1)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000735451133 1425908404 /nfs/dbraw/zinc/90/84/04/1425908404.db2.gz PLSHGWQWCQZKSA-UHFFFAOYSA-N -1 0 396.367 3.136 20 30 GGEDRM CC(C)S(=O)(=O)[N-]C(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 ZINC000172150923 1425921611 /nfs/dbraw/zinc/92/16/11/1425921611.db2.gz FWTDMDPZNBUHIF-UHFFFAOYSA-N -1 0 378.837 3.472 20 30 GGEDRM Cc1cc(S(=O)(=O)[N-]c2cccc(OCCCC#N)c2)ccc1[N+](=O)[O-] ZINC000172183012 1425937672 /nfs/dbraw/zinc/93/76/72/1425937672.db2.gz IOGNITOEIACNFZ-UHFFFAOYSA-N -1 0 375.406 3.387 20 30 GGEDRM FC(F)(F)c1nc2ccccc2c(NN=Cc2cc(-c3nn[n-]n3)cs2)n1 ZINC000822729213 1425968749 /nfs/dbraw/zinc/96/87/49/1425968749.db2.gz WFKVYGKGEQOAEO-UHFFFAOYSA-N -1 0 390.354 3.336 20 30 GGEDRM N#Cc1ccc(Cl)cc1NC(=O)CSc1ccc(-c2nn[n-]n2)cc1F ZINC000737718192 1425984204 /nfs/dbraw/zinc/98/42/04/1425984204.db2.gz LHWHTZHJVTVGLG-UHFFFAOYSA-N -1 0 388.815 3.262 20 30 GGEDRM N#Cc1ccc(NC(=O)C2(c3cccc(F)c3)CCCC2)cc1-c1nn[n-]n1 ZINC000737720036 1425987390 /nfs/dbraw/zinc/98/73/90/1425987390.db2.gz ZIRRBSCCDBPTID-UHFFFAOYSA-N -1 0 376.395 3.328 20 30 GGEDRM N#Cc1cccc(OCCCCC(=O)OCc2ccccc2-c2nn[n-]n2)c1 ZINC000737730698 1426039118 /nfs/dbraw/zinc/03/91/18/1426039118.db2.gz PYHMHFQJVZSHTJ-UHFFFAOYSA-N 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1426128519 /nfs/dbraw/zinc/12/85/19/1426128519.db2.gz BHWYGOKTPDTWMM-UHFFFAOYSA-N -1 0 375.329 3.166 20 30 GGEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@@H]1CCCO[C@H]1C(C)C ZINC000819743100 1426136645 /nfs/dbraw/zinc/13/66/45/1426136645.db2.gz CNJMOLQFYMTEHG-OALUTQOASA-N -1 0 398.511 3.016 20 30 GGEDRM Cc1ccc(N(CCC#N)C(=O)CNc2cc(-c3nn[n-]n3)ccc2C)cc1C ZINC000822241217 1426148242 /nfs/dbraw/zinc/14/82/42/1426148242.db2.gz OUJUYTFSYUKRAR-UHFFFAOYSA-N -1 0 389.463 3.151 20 30 GGEDRM C[C@@H](NC(=S)Nc1ccc(C#N)c(Cl)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820403711 1426182358 /nfs/dbraw/zinc/18/23/58/1426182358.db2.gz LJYUVSKNMLQPEV-SNVBAGLBSA-N -1 0 383.868 3.439 20 30 GGEDRM CC(C)Oc1ccc(C#N)cc1[N-]S(=O)(=O)CCOc1ccc(F)cc1 ZINC000172888239 1426240947 /nfs/dbraw/zinc/24/09/47/1426240947.db2.gz CBIBPBDNYPXPLB-UHFFFAOYSA-N -1 0 378.425 3.305 20 30 GGEDRM N#Cc1ccc(Oc2ccc(C(=O)OCc3ccccc3-c3nnn[n-]3)cc2)nc1 ZINC000737721290 1426258500 /nfs/dbraw/zinc/25/85/00/1426258500.db2.gz ILKFRCQYPNWZJG-UHFFFAOYSA-N 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C=C[C@H](CC(=O)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1)c1ccccc1 ZINC000823883135 1426468802 /nfs/dbraw/zinc/46/88/02/1426468802.db2.gz JTHNQGHYOUCUPD-UZLBHIALSA-N -1 0 389.459 3.127 20 30 GGEDRM COc1sc(C=NNc2ccc(-c3nn[n-]n3)cc2)cc1Br ZINC000826222473 1426477116 /nfs/dbraw/zinc/47/71/16/1426477116.db2.gz YGLOIMFCHCXUAU-UHFFFAOYSA-N -1 0 379.243 3.145 20 30 GGEDRM C[C@H](NC(=O)c1c[nH]c(C#N)c1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824516092 1426484231 /nfs/dbraw/zinc/48/42/31/1426484231.db2.gz VXXIHNRZUKPDCV-ZDUSSCGKSA-N -1 0 383.415 3.224 20 30 GGEDRM COCCOc1cccc(F)c1C(=O)C=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826163164 1426488570 /nfs/dbraw/zinc/48/85/70/1426488570.db2.gz IVLHDTYIMNATBV-VURMDHGXSA-N -1 0 386.358 3.066 20 30 GGEDRM C=CCn1c(SCc2ccc(-c3nn[n-]n3)cc2F)nnc1-c1ccccn1 ZINC000819766450 1426522679 /nfs/dbraw/zinc/52/26/79/1426522679.db2.gz YTPUJSADJPIMGG-UHFFFAOYSA-N -1 0 394.439 3.138 20 30 GGEDRM Cc1nc(-c2nnn[n-]2)c(N=NCc2ccc(Oc3cccnc3)c(C)c2)o1 ZINC000737467513 1426539564 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3.264 20 30 GGEDRM C=CCOCCCC(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000819750899 1426594561 /nfs/dbraw/zinc/59/45/61/1426594561.db2.gz JYWSDKDDICMBMR-UHFFFAOYSA-N -1 0 383.477 3.194 20 30 GGEDRM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NC(Cc2ccccc2)C(F)F)o1 ZINC000824280226 1426599895 /nfs/dbraw/zinc/59/98/95/1426599895.db2.gz HIHMSKQDXSAIOX-UHFFFAOYSA-N -1 0 375.383 3.329 20 30 GGEDRM Cc1cc(C=NNCc2ccc(-c3nnn[n-]3)cc2)ccc1Oc1cccnc1 ZINC000822198659 1426600884 /nfs/dbraw/zinc/60/08/84/1426600884.db2.gz FARDBIOEZYOMKD-UHFFFAOYSA-N -1 0 385.431 3.486 20 30 GGEDRM CC(C)c1nc(-c2nn[n-]n2)c(N=NCc2ccccc2OCC(F)(F)F)o1 ZINC000735939377 1426617953 /nfs/dbraw/zinc/61/79/53/1426617953.db2.gz OEBUXCQHYNYJMU-UHFFFAOYSA-N -1 0 395.345 3.365 20 30 GGEDRM C=C[C@H](CC(=O)O[C@@H](C)C(=O)Nc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000823883558 1426655569 /nfs/dbraw/zinc/65/55/69/1426655569.db2.gz UAMJTMVDSUEUMW-LSDHHAIUSA-N -1 0 391.431 3.097 20 30 GGEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H](C)c1csc(CC)n1 ZINC000735418563 1426679176 /nfs/dbraw/zinc/67/91/76/1426679176.db2.gz GUZSUUPGJZXBEU-ZDUSSCGKSA-N -1 0 397.508 3.344 20 30 GGEDRM N#Cc1cc(NC(=O)c2cc(F)c(Cl)cc2Cl)ccc1-c1nn[n-]n1 ZINC000737708080 1426731500 /nfs/dbraw/zinc/73/15/00/1426731500.db2.gz CUKVPGUARLYCQH-UHFFFAOYSA-N -1 0 377.166 3.437 20 30 GGEDRM N#Cc1ccc(C(=O)Nc2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)s1 ZINC000826385096 1426793001 /nfs/dbraw/zinc/79/30/01/1426793001.db2.gz XBVXCHAHXKZLPT-UHFFFAOYSA-N -1 0 379.430 3.176 20 30 GGEDRM CCOc1ccc(C(=O)C=Cc2ccc(OC)c(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000825632281 1426795885 /nfs/dbraw/zinc/79/58/85/1426795885.db2.gz NWVAEFYVLJIHSS-DAXSKMNVSA-N -1 0 395.375 3.078 20 30 GGEDRM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1ncc(CCC)s1 ZINC000823915321 1426796528 /nfs/dbraw/zinc/79/65/28/1426796528.db2.gz USKBJNDLLGCUOO-UHFFFAOYSA-N -1 0 383.481 3.496 20 30 GGEDRM Cc1nnc(SCc2cc(Cl)ccc2OCC#N)c(-c2nn[n-]n2)c1C ZINC000826337394 1426829195 /nfs/dbraw/zinc/82/91/95/1426829195.db2.gz NBHIUYOBLZYQDS-UHFFFAOYSA-N -1 0 387.856 3.122 20 30 GGEDRM CCN(C(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O)[C@@H](C)c1ccc(C#N)cc1 ZINC000173824684 1426861229 /nfs/dbraw/zinc/86/12/29/1426861229.db2.gz NAVFYZIODABNEV-LBPRGKRZSA-N -1 0 378.457 3.307 20 30 GGEDRM CCN(C(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O)[C@H](C)c1ccc(C#N)cc1 ZINC000173824697 1426861251 /nfs/dbraw/zinc/86/12/51/1426861251.db2.gz NAVFYZIODABNEV-GFCCVEGCSA-N -1 0 378.457 3.307 20 30 GGEDRM Cc1nc(-c2cccc(C(=O)[N-]S(=O)(=O)c3ccc(C#N)cc3)c2)cs1 ZINC000173888768 1426882369 /nfs/dbraw/zinc/88/23/69/1426882369.db2.gz IRYICSSHSVHIDS-UHFFFAOYSA-N -1 0 383.454 3.109 20 30 GGEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)[C@@H](C)n1nnc(-c2ccccc2)n1 ZINC000173915833 1426891174 /nfs/dbraw/zinc/89/11/74/1426891174.db2.gz NUWWPAMDRQVFMT-PBHICJAKSA-N -1 0 398.426 3.283 20 30 GGEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1cc2cc(C(F)(F)F)ccc2n1C ZINC000173934698 1426898789 /nfs/dbraw/zinc/89/87/89/1426898789.db2.gz PNRNVSJGRYRFAI-CQSZACIVSA-N -1 0 395.381 3.062 20 30 GGEDRM COc1ccc2sc(C([O-])=C(C#N)C(=O)NCCCOC(C)C)c(C)c2c1 ZINC000173940852 1426900588 /nfs/dbraw/zinc/90/05/88/1426900588.db2.gz JCNKYARFYGURIR-INIZCTEOSA-N -1 0 388.489 3.472 20 30 GGEDRM Cc1cccc(C)c1N=C1NC(=O)C(=Cc2cc(-c3nn[n-]n3)cs2)S1 ZINC000822293624 1426902868 /nfs/dbraw/zinc/90/28/68/1426902868.db2.gz DZVFBSHMAUGOMX-QPEQYQDCSA-N -1 0 382.474 3.437 20 30 GGEDRM Cc1nn(-c2ccc(Cl)cc2)cc1C([O-])=C(C#N)C(=O)NCc1ccccc1 ZINC000173954868 1426907312 /nfs/dbraw/zinc/90/73/12/1426907312.db2.gz YYRDDONDNLKTBE-SFHVURJKSA-N -1 0 392.846 3.473 20 30 GGEDRM Clc1cc(-c2nn[n-]n2)cc(NN=Cc2cc(Br)cs2)n1 ZINC000826350325 1426909412 /nfs/dbraw/zinc/90/94/12/1426909412.db2.gz QVDGNFNZGBHJDB-UHFFFAOYSA-N -1 0 384.650 3.185 20 30 GGEDRM C[C@H](OC(=O)[C@H]1CCCN1c1ccc(C#N)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824715978 1426914103 /nfs/dbraw/zinc/91/41/03/1426914103.db2.gz VXSFYEPJMKAFJU-IFXJQAMLSA-N -1 0 388.431 3.012 20 30 GGEDRM COc1ccc(CON=Cc2ccccc2OC(F)F)cc1-c1nn[n-]n1 ZINC000826206555 1426917514 /nfs/dbraw/zinc/91/75/14/1426917514.db2.gz ACTMSZYRHZJWEG-UHFFFAOYSA-N -1 0 375.335 3.027 20 30 GGEDRM Cc1c(C(=O)C=Cc2ccc(O)c(F)c2)cnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826234007 1426921107 /nfs/dbraw/zinc/92/11/07/1426921107.db2.gz DEFKVVLCGUSXQV-KRXBUXKQSA-N -1 0 390.378 3.102 20 30 GGEDRM C[C@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000820556038 1426927297 /nfs/dbraw/zinc/92/72/97/1426927297.db2.gz QXDDKEUSXKPZNI-ZDUSSCGKSA-N -1 0 396.451 3.433 20 30 GGEDRM CC(C)Oc1ccc(NC(=O)N[C@H](C)c2ccc(C#N)cc2)cc1-c1nn[n-]n1 ZINC000820164337 1426933456 /nfs/dbraw/zinc/93/34/56/1426933456.db2.gz IBAWDNLZPNMFTI-CYBMUJFWSA-N -1 0 391.435 3.408 20 30 GGEDRM Cc1cc(N2CCCS2(=O)=O)ccc1C([O-])=C(C#N)c1nc2ccccc2o1 ZINC000174014830 1426944231 /nfs/dbraw/zinc/94/42/31/1426944231.db2.gz IZGUKNQIBNCXOP-MRXNPFEDSA-N -1 0 395.440 3.166 20 30 GGEDRM N#Cc1ccc(-c2csc(NC(=O)c3ccc(-c4nnn[n-]4)s3)n2)cc1 ZINC000822823684 1426962289 /nfs/dbraw/zinc/96/22/89/1426962289.db2.gz XUIUVSZBERJDET-UHFFFAOYSA-N -1 0 379.430 3.176 20 30 GGEDRM Cc1oc(-c2ccccc2F)nc1C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000737548674 1426968161 /nfs/dbraw/zinc/96/81/61/1426968161.db2.gz QATKWHUSIWLTRB-UHFFFAOYSA-N -1 0 389.350 3.093 20 30 GGEDRM O=C(C=Cc1cnc2ccc(Br)cn12)c1ccc(-c2nn[n-]n2)cc1 ZINC000737807543 1426981372 /nfs/dbraw/zinc/98/13/72/1426981372.db2.gz PGUXRDLVXSYAGB-VOTSOKGWSA-N -1 0 395.220 3.173 20 30 GGEDRM C[C@H](NS(=O)(=O)c1ccc(F)c(C#N)c1)c1nc(C2CCCCC2)no1 ZINC000174067066 1426984268 /nfs/dbraw/zinc/98/42/68/1426984268.db2.gz ZQHQAYXZLJEZRL-NSHDSACASA-N -1 0 378.429 3.168 20 30 GGEDRM C=CCN(Cc1noc(C2CCCCC2)n1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000823914994 1426988045 /nfs/dbraw/zinc/98/80/45/1426988045.db2.gz QWZILNTXFRBDFM-UHFFFAOYSA-N -1 0 379.468 3.486 20 30 GGEDRM Cc1cc(F)cc(C(=O)[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)c1 ZINC000174087292 1426995287 /nfs/dbraw/zinc/99/52/87/1426995287.db2.gz JTRHGLMHZZYJDB-UHFFFAOYSA-N -1 0 386.326 3.143 20 30 GGEDRM COCC#CCOC(=O)c1cccc(Oc2cccc(Cl)c2-c2nn[n-]n2)c1 ZINC000826147361 1427038492 /nfs/dbraw/zinc/03/84/92/1427038492.db2.gz UZTDUCBFVDBWSF-UHFFFAOYSA-N -1 0 398.806 3.119 20 30 GGEDRM Cc1c(C(=O)C=Cc2ccc(-n3cccn3)cc2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737202382 1427045134 /nfs/dbraw/zinc/04/51/34/1427045134.db2.gz LUOROYPOPQAZHI-JXMROGBWSA-N -1 0 385.431 3.005 20 30 GGEDRM CC(C)[C@H](C(=O)[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1)c1ccccc1 ZINC000174218832 1427055986 /nfs/dbraw/zinc/05/59/86/1427055986.db2.gz KCBPJFZXUSJUKH-KRWDZBQOSA-N -1 0 376.865 3.456 20 30 GGEDRM C[C@@H](CCc1ccccc1F)C(=O)[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000174218880 1427056744 /nfs/dbraw/zinc/05/67/44/1427056744.db2.gz IIDLFQCLCOQEJZ-LBPRGKRZSA-N -1 0 394.855 3.425 20 30 GGEDRM FC(F)Sc1ccc(NC(=S)NN=Cc2ccc(-c3nn[n-]n3)o2)cc1 ZINC000822736853 1427057189 /nfs/dbraw/zinc/05/71/89/1427057189.db2.gz LFOHUBBEXLSOEN-UHFFFAOYSA-N -1 0 395.420 3.095 20 30 GGEDRM C#CCOc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)cc1OCC ZINC000823856778 1427081999 /nfs/dbraw/zinc/08/19/99/1427081999.db2.gz XYGACXRLIRSYSZ-UITAMQMPSA-N -1 0 392.390 3.313 20 30 GGEDRM Cc1c(C(=O)C=Cc2ccccc2-c2nn[n-]n2)nnn1-c1ccc(Cl)cc1 ZINC000826234218 1427126904 /nfs/dbraw/zinc/12/69/04/1427126904.db2.gz MTJPNXXYYJNMEZ-IZZDOVSWSA-N -1 0 391.822 3.305 20 30 GGEDRM O=C(C=Cc1cc2c(cc1OC(F)F)OCO2)c1ccc(-c2nn[n-]n2)cc1 ZINC000737796955 1427145871 /nfs/dbraw/zinc/14/58/71/1427145871.db2.gz PEOXHPIHGPUWGM-WAYWQWQTSA-N -1 0 386.314 3.093 20 30 GGEDRM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000822802031 1427184496 /nfs/dbraw/zinc/18/44/96/1427184496.db2.gz UMDKNGKPHSXCNX-HOTGVXAUSA-N -1 0 375.392 3.051 20 30 GGEDRM C#CCCCNC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000174575070 1427234493 /nfs/dbraw/zinc/23/44/93/1427234493.db2.gz MTIXDWGLPMYTTJ-UHFFFAOYSA-N -1 0 394.855 3.423 20 30 GGEDRM Cc1nc(-c2ccccc2)c(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)s1 ZINC000737462967 1427255073 /nfs/dbraw/zinc/25/50/73/1427255073.db2.gz BYHYMYWJSRHFRY-UHFFFAOYSA-N -1 0 387.428 3.423 20 30 GGEDRM C=CCCOCCNC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000823899095 1427257996 /nfs/dbraw/zinc/25/79/96/1427257996.db2.gz LAVWNKGZNNMYQF-UHFFFAOYSA-N -1 0 394.435 3.373 20 30 GGEDRM COc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1-c1ccccn1 ZINC000826187169 1427268509 /nfs/dbraw/zinc/26/85/09/1427268509.db2.gz CVFHOBLGNNGOEW-UHFFFAOYSA-N -1 0 397.398 3.061 20 30 GGEDRM COc1ccccc1-n1cc(S(=O)(=O)[N-]c2ccc(Cl)c(C#N)c2)cn1 ZINC000174667861 1427298076 /nfs/dbraw/zinc/29/80/76/1427298076.db2.gz LZJZFICJOZTYEA-UHFFFAOYSA-N -1 0 388.836 3.207 20 30 GGEDRM Cc1ccc(-n2[n-]c(C(=O)Nc3cccc(OCCCC#N)c3)cc2=O)cc1 ZINC000174695440 1427315064 /nfs/dbraw/zinc/31/50/64/1427315064.db2.gz LNJWDMLTBRQHAC-UHFFFAOYSA-N -1 0 376.416 3.409 20 30 GGEDRM N#Cc1ccc(NC(=O)c2ccnc(Oc3ccccc3)c2)cc1-c1nnn[n-]1 ZINC000737719528 1427421758 /nfs/dbraw/zinc/42/17/58/1427421758.db2.gz RDHYZVXZWUMRKW-UHFFFAOYSA-N -1 0 383.371 3.178 20 30 GGEDRM COc1cccc(-c2n[nH]cc2C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC000826213563 1427426550 /nfs/dbraw/zinc/42/65/50/1427426550.db2.gz BNKSLXKJCZPEIW-SOFGYWHQSA-N -1 0 390.378 3.301 20 30 GGEDRM Cc1cc(C(=O)N(C)c2cccc(C#N)c2)ccc1[N-]S(=O)(=O)C(F)(F)F ZINC000175060821 1427524889 /nfs/dbraw/zinc/52/48/89/1427524889.db2.gz JFAZXZDRBXOJLJ-UHFFFAOYSA-N -1 0 397.378 3.405 20 30 GGEDRM CC(C)[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1)c1cccc(Cl)c1 ZINC000175075951 1427533226 /nfs/dbraw/zinc/53/32/26/1427533226.db2.gz SJILTQFNALCOLK-QGZVFWFLSA-N -1 0 376.865 3.456 20 30 GGEDRM CC(C)c1cccc2c1OCC(=Cc1cnc3ccc(-c4nn[n-]n4)cn13)C2=O ZINC000824352558 1427536407 /nfs/dbraw/zinc/53/64/07/1427536407.db2.gz IMUVEJUVXVZBDY-RIYZIHGNSA-N -1 0 386.415 3.297 20 30 GGEDRM COCCCNC(=O)C(C#N)=C([O-])c1cc(C)n(-c2cc(C)cc(C)c2)c1C ZINC000175094744 1427543641 /nfs/dbraw/zinc/54/36/41/1427543641.db2.gz FXMBCPZYGSUMQC-HXUWFJFHSA-N -1 0 381.476 3.186 20 30 GGEDRM CC(=NNc1nc2ccccc2[nH]1)c1cnn(-c2ccc(-c3nnn[n-]3)cc2)c1C ZINC000735451009 1427548178 /nfs/dbraw/zinc/54/81/78/1427548178.db2.gz MPJHZNNUCSZERJ-UHFFFAOYSA-N 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ZINC000737715862 1427709816 /nfs/dbraw/zinc/70/98/16/1427709816.db2.gz FXVNQEHRHPDOOK-UHFFFAOYSA-N -1 0 382.811 3.189 20 30 GGEDRM CCCCCCCCc1nnc(NC(=O)c2cc(-c3nnn[n-]3)cn2C)s1 ZINC000821055826 1427728561 /nfs/dbraw/zinc/72/85/61/1427728561.db2.gz HDJUIWKAWNCWRQ-UHFFFAOYSA-N -1 0 388.501 3.212 20 30 GGEDRM COc1ccc2cccc(CC(=O)Nc3ccc(C#N)c(-c4nn[n-]n4)c3)c2c1 ZINC000826213322 1427742256 /nfs/dbraw/zinc/74/22/56/1427742256.db2.gz SWZXKBQGRMEYSJ-UHFFFAOYSA-N -1 0 384.399 3.081 20 30 GGEDRM O=C(C=Cc1ccc(Oc2cnccn2)cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826401468 1427757437 /nfs/dbraw/zinc/75/74/37/1427757437.db2.gz ZTRXOUUTAXGEOV-BAQGIRSFSA-N -1 0 388.362 3.484 20 30 GGEDRM C=CC1CCN(C(=O)c2occc2COc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000735402501 1427783688 /nfs/dbraw/zinc/78/36/88/1427783688.db2.gz CSHCKYRFYSQVNI-UHFFFAOYSA-N -1 0 379.420 3.077 20 30 GGEDRM Cc1nn(Cc2ccccc2)c(C)c1C=NOCc1cccc(-c2nn[n-]n2)c1 ZINC000826334874 1427788883 /nfs/dbraw/zinc/78/88/83/1427788883.db2.gz NBYXLYLQSODLPF-UHFFFAOYSA-N 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ZINC000823909379 1427880818 /nfs/dbraw/zinc/88/08/18/1427880818.db2.gz AWZMXXGIDKSRRE-VOTSOKGWSA-N -1 0 380.839 3.143 20 30 GGEDRM C=CCNC(=O)c1ccc(NC(=O)c2nn(-c3ccc(F)cc3C)cc2[O-])cc1 ZINC000175828348 1427914997 /nfs/dbraw/zinc/91/49/97/1427914997.db2.gz KSMFXZKENDYLEY-UHFFFAOYSA-N -1 0 394.406 3.194 20 30 GGEDRM N#CCCN(Cc1ccco1)Cc1ccc(-c2nn[n-]n2)cc1Br ZINC000826382138 1427915238 /nfs/dbraw/zinc/91/52/38/1427915238.db2.gz QDDWYCHKSLUXOL-UHFFFAOYSA-N -1 0 387.241 3.138 20 30 GGEDRM C/C(=C\C(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1)c1ccccc1OC(F)F ZINC000175934782 1427982398 /nfs/dbraw/zinc/98/23/98/1427982398.db2.gz RIFXQEVRMSWGQS-ZRDIBKRKSA-N -1 0 392.383 3.068 20 30 GGEDRM Cc1c2c(nc(SCc3ccc(OCC#N)cc3)c1-c1nn[n-]n1)CCC2 ZINC000737219656 1428019610 /nfs/dbraw/zinc/01/96/10/1428019610.db2.gz SNVSIMYSLNNOTP-UHFFFAOYSA-N -1 0 378.461 3.254 20 30 GGEDRM CC[C@H](C#N)NC(=O)c1ccc(Oc2ccccc2-c2nn[n-]n2)c(Cl)c1 ZINC000825039460 1428022263 /nfs/dbraw/zinc/02/22/63/1428022263.db2.gz RQJOEIAUYFWVHV-GFCCVEGCSA-N -1 0 382.811 3.344 20 30 GGEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H]1C[C@]12CCc1ccccc12 ZINC000819743559 1428043419 /nfs/dbraw/zinc/04/34/19/1428043419.db2.gz LYBWDHGIAGWZTP-OFNKIYASSA-N -1 0 385.471 3.285 20 30 GGEDRM C=CCn1c(Sc2cccc(-c3nn[n-]n3)n2)nnc1-c1cccc(C)c1 ZINC000823937321 1428064188 /nfs/dbraw/zinc/06/41/88/1428064188.db2.gz RRJVOVCWCFDWQD-UHFFFAOYSA-N -1 0 376.449 3.166 20 30 GGEDRM N#Cc1cccc(S(=O)(=O)[N-]C(=O)c2cc(C3CC3)nc3ccc(F)cc32)c1 ZINC000176081845 1428072394 /nfs/dbraw/zinc/07/23/94/1428072394.db2.gz GKZKWPWDWJHFJS-UHFFFAOYSA-N -1 0 395.415 3.242 20 30 GGEDRM CC[C@H](C#N)Oc1cccc(CNc2nc3c(cc2-c2nn[n-]n2)CCC3)c1 ZINC000736310214 1428074581 /nfs/dbraw/zinc/07/45/81/1428074581.db2.gz WMOMVAIJZZUCGS-OAHLLOKOSA-N -1 0 375.436 3.043 20 30 GGEDRM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1occc1Br ZINC000176092878 1428078038 /nfs/dbraw/zinc/07/80/38/1428078038.db2.gz SABXDNJONRSIJV-JTQLQIEISA-N -1 0 377.194 3.402 20 30 GGEDRM COc1ccc(NC(=O)C(C#N)=C([O-])c2occc2Br)cc1OC ZINC000176095237 1428079740 /nfs/dbraw/zinc/07/97/40/1428079740.db2.gz NOPJWGLHBXRISB-SNVBAGLBSA-N -1 0 393.193 3.020 20 30 GGEDRM C[C@H](Sc1ccnc2cc(Cl)ccc21)C(=O)Nc1nc(C#N)c(C#N)[n-]1 ZINC000176129521 1428103356 /nfs/dbraw/zinc/10/33/56/1428103356.db2.gz HUKSZEBMDIGERE-VIFPVBQESA-N -1 0 382.836 3.474 20 30 GGEDRM N#Cc1cc(NC(=O)C2(c3cccc(Cl)c3)CCC2)ccc1-c1nn[n-]n1 ZINC000737706466 1428135585 /nfs/dbraw/zinc/13/55/85/1428135585.db2.gz XSQCQLFWFAEJQT-UHFFFAOYSA-N -1 0 378.823 3.452 20 30 GGEDRM CC(C)c1cc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)nn1C(C)(C)C ZINC000735921065 1428144838 /nfs/dbraw/zinc/14/48/38/1428144838.db2.gz HOZSATMIEXHNOY-UHFFFAOYSA-N -1 0 378.440 3.066 20 30 GGEDRM CC(C)[C@](C)(C#N)NC(=O)CSc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000824184725 1428167408 /nfs/dbraw/zinc/16/74/08/1428167408.db2.gz JMLWVRMNJXWMNX-HNNXBMFYSA-N -1 0 398.414 3.032 20 30 GGEDRM COc1cccc(-c2n[nH]cc2C=CC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000826214035 1428175704 /nfs/dbraw/zinc/17/57/04/1428175704.db2.gz XJEAJRYZTUCSDU-AATRIKPKSA-N -1 0 378.417 3.223 20 30 GGEDRM Cc1cc(C(=O)NCC#Cc2ccccc2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737233397 1428196113 /nfs/dbraw/zinc/19/61/13/1428196113.db2.gz CEQBMASJXIMBJY-UHFFFAOYSA-N -1 0 396.454 3.056 20 30 GGEDRM C#Cc1cccc(N(Cc2ccccc2)C(=O)c2ccc(-c3nn[n-]n3)cn2)c1 ZINC000735391952 1429785325 /nfs/dbraw/zinc/78/53/25/1429785325.db2.gz YSWDUZARIPNFFV-UHFFFAOYSA-N -1 0 380.411 3.090 20 30 GGEDRM N#CCOc1cc(F)ccc1NCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000822811117 1429827984 /nfs/dbraw/zinc/82/79/84/1429827984.db2.gz SSHMNNBYFPHBHJ-UHFFFAOYSA-N -1 0 390.325 3.122 20 30 GGEDRM Cc1cc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)nn1-c1ccc(Cl)cc1Cl ZINC000180380239 1429851663 /nfs/dbraw/zinc/85/16/63/1429851663.db2.gz OYPDEFUQRZIIQV-UHFFFAOYSA-N -1 0 386.202 3.206 20 30 GGEDRM C=C(C)CN(C)C(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1[O-] ZINC000180432782 1429868092 /nfs/dbraw/zinc/86/80/92/1429868092.db2.gz SOSCTYJHWOULBL-UHFFFAOYSA-N -1 0 394.880 3.495 20 30 GGEDRM C=C(C)CN(C)C(=O)c1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1[O-] ZINC000180459658 1429874344 /nfs/dbraw/zinc/87/43/44/1429874344.db2.gz RBXGCVNEFYVBRH-UHFFFAOYSA-N -1 0 394.880 3.495 20 30 GGEDRM Cc1cccc(C2=CCN(C(=O)CCc3c(C)[nH]c(=O)c(C#N)c3C)CC2)c1 ZINC000180467586 1429875821 /nfs/dbraw/zinc/87/58/21/1429875821.db2.gz AIXHQNQVDBTDLK-UHFFFAOYSA-N -1 0 375.472 3.420 20 30 GGEDRM CCN(Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1)C[C@@H](C)C#N ZINC000825435282 1429923507 /nfs/dbraw/zinc/92/35/07/1429923507.db2.gz SEXPLKSDPOQJPZ-INIZCTEOSA-N -1 0 376.464 3.427 20 30 GGEDRM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)c1cc2ccccc2n1CC#N ZINC000735660563 1429924888 /nfs/dbraw/zinc/92/48/88/1429924888.db2.gz CXWGSRVIZNHBLL-UHFFFAOYSA-N -1 0 388.435 3.154 20 30 GGEDRM CC(C)Oc1ccc(NC(=O)N[C@@H](C)c2cccc(C#N)c2)cc1-c1nn[n-]n1 ZINC000820164046 1429948593 /nfs/dbraw/zinc/94/85/93/1429948593.db2.gz BGNGIUIAOQOVLN-ZDUSSCGKSA-N -1 0 391.435 3.408 20 30 GGEDRM COc1cccc(CC(N=Nc2oc(C)nc2-c2nn[n-]n2)c2ccccc2)c1 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LIYORTAAYBOFDZ-UHFFFAOYSA-N -1 0 382.363 3.067 20 30 GGEDRM C=C[C@@](C)(CC)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)nc(C)n2)cc1 ZINC000191791098 1432725833 /nfs/dbraw/zinc/72/58/33/1432725833.db2.gz KQVKLGJQKKPXPM-IBGZPJMESA-N -1 0 388.493 3.435 20 30 GGEDRM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C#N)ccc2OC(F)F)cc1[N+](=O)[O-] ZINC000191795950 1432727372 /nfs/dbraw/zinc/72/73/72/1432727372.db2.gz FYDGIIIQTWPWSB-UHFFFAOYSA-N -1 0 397.359 3.486 20 30 GGEDRM Cc1nn(-c2ccc(Cl)cc2)c([N-]S(=O)(=O)c2ccc(C#N)nc2)c1C ZINC000191822818 1432732433 /nfs/dbraw/zinc/73/24/33/1432732433.db2.gz UNZLAGJGMZIMDO-UHFFFAOYSA-N -1 0 387.852 3.210 20 30 GGEDRM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3cc(Cl)ccc3C#N)cc2C[C@H]1C ZINC000192583800 1432862932 /nfs/dbraw/zinc/86/29/32/1432862932.db2.gz WZTNDXLVIPQYDV-LLVKDONJSA-N -1 0 389.864 3.310 20 30 GGEDRM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3cc(Cl)ccc3C#N)cc2C[C@@H]1C ZINC000192583817 1432862977 /nfs/dbraw/zinc/86/29/77/1432862977.db2.gz WZTNDXLVIPQYDV-NSHDSACASA-N -1 0 389.864 3.310 20 30 GGEDRM Cc1ccc(/C=C/C(=O)c2ccc([O-])c(CN3CCOCC3)c2)cc1[N+](=O)[O-] ZINC000192757158 1432885544 /nfs/dbraw/zinc/88/55/44/1432885544.db2.gz ABWBHGYDMTXOEW-GQCTYLIASA-N -1 0 382.416 3.337 20 30 GGEDRM Cc1c(C([O-])=C(C#N)c2cnc3ccccc3n2)nnn1Cc1ccc(F)cc1 ZINC000193040338 1432926015 /nfs/dbraw/zinc/92/60/15/1432926015.db2.gz SIQQDACTAXMHOB-MRXNPFEDSA-N -1 0 386.390 3.207 20 30 GGEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1ccc2[nH]c3c(c2c1)C[C@@H](C)CC3 ZINC000193352000 1432984324 /nfs/dbraw/zinc/98/43/24/1432984324.db2.gz KOKJSKYJBNELPG-KBXCAEBGSA-N -1 0 381.476 3.158 20 30 GGEDRM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]c2ccccc2CC#N)c(F)c1Cl ZINC000193362619 1432985777 /nfs/dbraw/zinc/98/57/77/1432985777.db2.gz QEWLJPLOCWSCEJ-UHFFFAOYSA-N -1 0 399.806 3.443 20 30 GGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc(C)c(NC(=O)c2ccco2)c1 ZINC000193369591 1432986607 /nfs/dbraw/zinc/98/66/07/1432986607.db2.gz YABKEPKTCNGQEO-INIZCTEOSA-N -1 0 381.432 3.469 20 30 GGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1cc(OC)c(Br)c(OC)c1 ZINC000193378755 1432988000 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GGEDRM Cc1c(C([O-])=C(C#N)c2nc3ccccc3o2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000193621582 1433029991 /nfs/dbraw/zinc/02/99/91/1433029991.db2.gz KMXAOGIRSTULHT-CQSZACIVSA-N -1 0 388.343 3.115 20 30 GGEDRM CCn1cc(C([O-])=C(C#N)C(=O)NCCc2ccc(OC)cc2)c2ccccc21 ZINC000193749592 1433051827 /nfs/dbraw/zinc/05/18/27/1433051827.db2.gz RQQBMEMNSSYTBS-IBGZPJMESA-N -1 0 389.455 3.351 20 30 GGEDRM CCCc1nc(C)c(C([O-])=C(C#N)C(=O)NCCc2ccc(OC)cc2)s1 ZINC000193750837 1433051892 /nfs/dbraw/zinc/05/18/92/1433051892.db2.gz XRAKDBNDKWEWIG-MRXNPFEDSA-N -1 0 385.489 3.094 20 30 GGEDRM CCn1cc(C([O-])=C(C#N)C(=O)NCc2ccc(OC)cc2)c2ccccc21 ZINC000193752457 1433052523 /nfs/dbraw/zinc/05/25/23/1433052523.db2.gz PVORRUPXVFVMMI-GOSISDBHSA-N -1 0 375.428 3.309 20 30 GGEDRM CCn1cc(C([O-])=C(C#N)C(=O)NCc2ccc(OC)cc2)c2ccccc21 ZINC000193752468 1433052527 /nfs/dbraw/zinc/05/25/27/1433052527.db2.gz PVORRUPXVFVMMI-SFHVURJKSA-N -1 0 375.428 3.309 20 30 GGEDRM Cc1nc(-c2ccccc2)c(C(=O)[N-]S(=O)(=O)c2ccc(C#N)cc2)s1 ZINC000193976763 1433095003 /nfs/dbraw/zinc/09/50/03/1433095003.db2.gz GFRPKAQWVQXSAL-UHFFFAOYSA-N -1 0 383.454 3.109 20 30 GGEDRM C=CCN(CC=C)C(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(OC)cc1 ZINC000194026101 1433103211 /nfs/dbraw/zinc/10/32/11/1433103211.db2.gz QDMFHKLCKQMCOK-UHFFFAOYSA-N -1 0 386.473 3.310 20 30 GGEDRM CC(C)Oc1ccc(C#N)cc1[N-]S(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C ZINC000194028246 1433103796 /nfs/dbraw/zinc/10/37/96/1433103796.db2.gz MYKCIZOAQULYBQ-YWZLYKJASA-N -1 0 390.505 3.483 20 30 GGEDRM C=CCn1c(=O)c2ccc(C(=O)Nc3ccccc3COC)cc2[n-]c1=S ZINC000194165311 1433130041 /nfs/dbraw/zinc/13/00/41/1433130041.db2.gz HEPOSGBXZBIRCJ-UHFFFAOYSA-N -1 0 381.457 3.270 20 30 GGEDRM C=CCn1c(=O)c2ccc(C(=O)Nc3c(C)cccc3OC)cc2[n-]c1=S ZINC000194303525 1433158343 /nfs/dbraw/zinc/15/83/43/1433158343.db2.gz ZZNVLNFUBRMIBJ-UHFFFAOYSA-N -1 0 381.457 3.441 20 30 GGEDRM CCCCCCC[C@@]1(C)NC(=O)N([N-]C(=O)c2cnn(C(C)(C)C)c2C)C1=O ZINC000194360887 1433166763 /nfs/dbraw/zinc/16/67/63/1433166763.db2.gz DXSIBVDOJDQBPH-HXUWFJFHSA-N -1 0 391.516 3.262 20 30 GGEDRM COCCNC(=O)C(C#N)=C([O-])c1csc(-c2ccc(Cl)cc2Cl)n1 ZINC000194588270 1433202191 /nfs/dbraw/zinc/20/21/91/1433202191.db2.gz GBZVEDYMAISUCL-LLVKDONJSA-N -1 0 398.271 3.202 20 30 GGEDRM CCCCCCCS(=O)(=O)[N-]c1nc(CN2C[C@@H](C)O[C@H](C)C2)cs1 ZINC000194788222 1433232629 /nfs/dbraw/zinc/23/26/29/1433232629.db2.gz AXEDYGVWZFEPCU-HUUCEWRRSA-N -1 0 389.587 3.464 20 30 GGEDRM N#Cc1cccc(S(=O)(=O)[N-]c2nnc(Cc3cccc4ccccc43)o2)c1 ZINC000194799137 1433235289 /nfs/dbraw/zinc/23/52/89/1433235289.db2.gz QBANVSXZMLNGSI-UHFFFAOYSA-N -1 0 390.424 3.486 20 30 GGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2nnc(Cc3ccc4ccccc4c3)o2)cc1 ZINC000194810833 1433237932 /nfs/dbraw/zinc/23/79/32/1433237932.db2.gz PPZQWEMTSXCSCX-UHFFFAOYSA-N -1 0 390.424 3.486 20 30 GGEDRM CC(C)CCc1nnc([N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)o1 ZINC000194873645 1433253664 /nfs/dbraw/zinc/25/36/64/1433253664.db2.gz CMSMCFVNYCSCOP-UHFFFAOYSA-N -1 0 388.371 3.349 20 30 GGEDRM CCCCCCC[C@@]1(C)NC(=O)N([N-]C(=O)c2csc(C3CC3)n2)C1=O ZINC000194946519 1433270337 /nfs/dbraw/zinc/27/03/37/1433270337.db2.gz ZJNAOMDMWNDEIU-GOSISDBHSA-N -1 0 378.498 3.336 20 30 GGEDRM N#CC(=C([O-])c1csc(C2CC2)n1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000194988641 1433277443 /nfs/dbraw/zinc/27/74/43/1433277443.db2.gz ZUOMRFGMLXXMPN-LBPRGKRZSA-N -1 0 377.433 3.021 20 30 GGEDRM Cc1c(C([O-])=C(C#N)c2nc3ccccc3n2C)nnn1Cc1ccc(F)cc1 ZINC000195261277 1433312980 /nfs/dbraw/zinc/31/29/80/1433312980.db2.gz RKMAIGVRTWHXEC-INIZCTEOSA-N -1 0 388.406 3.151 20 30 GGEDRM CCS(=O)(=O)c1ccc(C([O-])=C(C#N)C(=O)c2c(C)[nH]c3ccccc32)cc1 ZINC000195285417 1433314953 /nfs/dbraw/zinc/31/49/53/1433314953.db2.gz AMMFKLQHHWBLOB-QGZVFWFLSA-N -1 0 394.452 3.475 20 30 GGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3cccc(F)c3)c2)cn1 ZINC000195444768 1433330454 /nfs/dbraw/zinc/33/04/54/1433330454.db2.gz ALDMFMPHMAFWPH-UHFFFAOYSA-N -1 0 396.403 3.145 20 30 GGEDRM CN(C(=O)c1cccc([N-]S(=O)(=O)c2ccc(C#N)nc2)c1)c1ccccc1 ZINC000195444561 1433330497 /nfs/dbraw/zinc/33/04/97/1433330497.db2.gz GOLOMZVPLCGGOX-UHFFFAOYSA-N -1 0 392.440 3.031 20 30 GGEDRM N#Cc1cccc(CS(=O)(=O)[N-]C(=O)c2csc(-c3cccs3)n2)c1 ZINC000195495279 1433336725 /nfs/dbraw/zinc/33/67/25/1433336725.db2.gz BIGYGFHEFWLLBO-UHFFFAOYSA-N -1 0 389.483 3.003 20 30 GGEDRM Cc1c2cc(F)ccc2sc1C(=O)[N-]S(=O)(=O)Cc1cccc(C#N)c1 ZINC000195496868 1433336783 /nfs/dbraw/zinc/33/67/83/1433336783.db2.gz JAVPGKOAFBKKIB-UHFFFAOYSA-N -1 0 388.445 3.480 20 30 GGEDRM N#Cc1cccc(CS(=O)(=O)[N-]C(=O)Cc2c(Cl)cccc2Cl)c1 ZINC000195496024 1433336797 /nfs/dbraw/zinc/33/67/97/1433336797.db2.gz RBKBEVQCQHVNDK-UHFFFAOYSA-N -1 0 383.256 3.054 20 30 GGEDRM N#Cc1cccc(CS(=O)(=O)[N-]C(=O)CCCOc2ccccc2Cl)c1 ZINC000195496997 1433336919 /nfs/dbraw/zinc/33/69/19/1433336919.db2.gz WZLJCJBMDZTSPE-UHFFFAOYSA-N -1 0 392.864 3.017 20 30 GGEDRM CC(=C\c1ccccc1)/C=C\C(=O)c1ccc(S(=O)(=O)NCCC(=O)[O-])cc1 ZINC000206869582 1433354172 /nfs/dbraw/zinc/35/41/72/1433354172.db2.gz BVDXNMRROXZKQD-ZJHKSBSXSA-N -1 0 399.468 3.282 20 30 GGEDRM CC(/C=C\C(=O)c1ccc(S(=O)(=O)NCCC(=O)[O-])cc1)=C/c1ccccc1 ZINC000206869621 1433354286 /nfs/dbraw/zinc/35/42/86/1433354286.db2.gz BVDXNMRROXZKQD-HQTZFYGISA-N -1 0 399.468 3.282 20 30 GGEDRM O=C([O-])CCOc1cccc(/C=C\C(=O)c2ccc(N3CCOCC3)cc2)c1 ZINC000211956829 1433358014 /nfs/dbraw/zinc/35/80/14/1433358014.db2.gz HJMKMUOGHJRZOM-WTKPLQERSA-N -1 0 381.428 3.273 20 30 GGEDRM COc1cc(/C=C\C(=O)c2ccc(N3CCCC3=O)cc2)cc([N+](=O)[O-])c1[O-] ZINC000214668812 1433361113 /nfs/dbraw/zinc/36/11/13/1433361113.db2.gz LQBNFYTVDMYCIE-WTKPLQERSA-N -1 0 382.372 3.332 20 30 GGEDRM C=CCN(C1CC1)S(=O)(=O)c1cc(Br)c(Cl)c(C(=O)[O-])c1 ZINC000228414725 1433371141 /nfs/dbraw/zinc/37/11/41/1433371141.db2.gz YOQXOBRHLDSBAO-UHFFFAOYSA-N -1 0 394.674 3.140 20 30 GGEDRM C[C@@H](Oc1ccccc1C#N)C(=O)N[C@H](CC(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000237546005 1433408826 /nfs/dbraw/zinc/40/88/26/1433408826.db2.gz PGGOFUUXVAWSMP-BDJLRTHQSA-N -1 0 390.798 3.450 20 30 GGEDRM C[C@@H](Oc1ccccc1C#N)C(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000237545460 1433408969 /nfs/dbraw/zinc/40/89/69/1433408969.db2.gz PGGOFUUXVAWSMP-BZNIZROVSA-N -1 0 390.798 3.450 20 30 GGEDRM C=CCN(CC=C)C(=O)c1ccc(-n2ncc(C(=O)[O-])c2C(F)(F)F)cc1 ZINC000238145022 1433444175 /nfs/dbraw/zinc/44/41/75/1433444175.db2.gz MMIRZGAMMWHXCD-UHFFFAOYSA-N -1 0 379.338 3.404 20 30 GGEDRM O=C([O-])c1cccc(C#Cc2cccc(NC(=O)CCCNC(=O)C3CC3)c2)c1 ZINC000238199648 1433444982 /nfs/dbraw/zinc/44/49/82/1433444982.db2.gz ATGDIUHNYPKTCM-UHFFFAOYSA-N -1 0 390.439 3.030 20 30 GGEDRM C[C@@H]1C[C@H](C)CN(c2ccc(C([O-])=C(C#N)C(=O)N3CCCC3)cc2[N+](=O)[O-])C1 ZINC000246432683 1433612370 /nfs/dbraw/zinc/61/23/70/1433612370.db2.gz NAVVMLVLQRGFMJ-UXLLHSPISA-N -1 0 398.463 3.022 20 30 GGEDRM C[C@@H]1Cc2cc(C([O-])=C(C#N)c3nc4ccccc4o3)ccc2N1S(C)(=O)=O ZINC000248748525 1433819741 /nfs/dbraw/zinc/81/97/41/1433819741.db2.gz FTLPWWLTSDFVGC-DOMZBBRYSA-N -1 0 395.440 3.028 20 30 GGEDRM C[C@@H]1CN(c2ccc(C([O-])=C(C#N)c3cnc4ccccc4n3)cn2)C[C@@H](C)O1 ZINC000248893448 1433828133 /nfs/dbraw/zinc/82/81/33/1433828133.db2.gz SNTWKQYZTNCLKC-BFYDXBDKSA-N -1 0 387.443 3.128 20 30 GGEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)/C=C\Sc2ccccc2)cc1Cl ZINC000254980426 1433873438 /nfs/dbraw/zinc/87/34/38/1433873438.db2.gz VZXVZAOQHXLUIQ-HJWRWDBZSA-N -1 0 378.862 3.323 20 30 GGEDRM Cc1cn2c(/C=C\C(=O)c3ccc([O-])c(CN4CCOCC4)c3)c(C)nc2s1 ZINC000254986416 1433873632 /nfs/dbraw/zinc/87/36/32/1433873632.db2.gz PQQYFIQYFNHLCF-XQRVVYSFSA-N -1 0 397.500 3.447 20 30 GGEDRM O=S(=O)(C[C@H](O)C/N=C\c1cc(Cl)cc(Cl)c1[O-])c1cccs1 ZINC000255076801 1433875856 /nfs/dbraw/zinc/87/58/56/1433875856.db2.gz BBGASGPPFDBNPU-YRMGLCMGSA-N -1 0 394.301 3.014 20 30 GGEDRM Cc1ccc(N=Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1NS(C)(=O)=O ZINC000255079547 1433875869 /nfs/dbraw/zinc/87/58/69/1433875869.db2.gz RYQBQNJKRSDFCW-UHFFFAOYSA-N -1 0 383.813 3.384 20 30 GGEDRM N#Cc1ccc([O-])c(NC(=O)C2CCN(C(=O)/C=C\c3ccccc3)CC2)c1 ZINC000255116410 1433876758 /nfs/dbraw/zinc/87/67/58/1433876758.db2.gz KYNURORACDXYPA-CLFYSBASSA-N -1 0 375.428 3.154 20 30 GGEDRM Cc1ccc(COc2ccc(/C=C\C(=O)c3cnc([O-])n(C)c3=O)cc2)cc1 ZINC000255315516 1433880050 /nfs/dbraw/zinc/88/00/50/1433880050.db2.gz LDCVWVYNOCFQHK-XFXZXTDPSA-N -1 0 376.412 3.269 20 30 GGEDRM Cc1nnnn1-c1cc(N=Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])ccc1F ZINC000255322969 1433880376 /nfs/dbraw/zinc/88/03/76/1433880376.db2.gz ZUHCIDVNGNKONC-UHFFFAOYSA-N -1 0 376.735 3.128 20 30 GGEDRM O=[N+]([O-])c1cc(Cl)cc(/C=N\C[C@@H](O)COc2ccc(F)c(F)c2)c1[O-] ZINC000255369787 1433881489 /nfs/dbraw/zinc/88/14/89/1433881489.db2.gz ZEIVOSFGIDRVRD-SJCNBQKBSA-N -1 0 386.738 3.091 20 30 GGEDRM Cc1nn(-c2ccc(Cl)cc2)c(C)c1C=CC([O-])=C1C(=O)C=C(C)OC1=O ZINC000255391850 1433882098 /nfs/dbraw/zinc/88/20/98/1433882098.db2.gz RCARLNLRTLNWMS-QWUACUGRSA-N -1 0 384.819 3.371 20 30 GGEDRM CC1=CC(=O)C(=C([O-])C=Cc2cn(Cc3ccccc3)nc2C(C)(C)C)C(=O)O1 ZINC000255549342 1433884889 /nfs/dbraw/zinc/88/48/89/1433884889.db2.gz OYIPRKODYGHEMJ-JPMGXVIASA-N -1 0 392.455 3.457 20 30 GGEDRM CC1=CC(=O)C(=C([O-])C=Cc2cn(Cc3ccccc3)nc2C(C)(C)C)C(=O)O1 ZINC000255549346 1433884901 /nfs/dbraw/zinc/88/49/01/1433884901.db2.gz OYIPRKODYGHEMJ-PISNEZEASA-N -1 0 392.455 3.457 20 30 GGEDRM CCOC(=O)/C=C\c1ccc([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)cc1 ZINC000255579299 1433885872 /nfs/dbraw/zinc/88/58/72/1433885872.db2.gz RFTUOLMZZGTQEM-YVMONPNESA-N -1 0 392.383 3.214 20 30 GGEDRM O=C(/C=C\c1ccc(-n2cccn2)cc1)c1ccc([O-])c(CN2CCOCC2)c1 ZINC000255603548 1433886335 /nfs/dbraw/zinc/88/63/35/1433886335.db2.gz MVTPWQYFWOFBKT-YWEYNIOJSA-N -1 0 389.455 3.306 20 30 GGEDRM Cc1c(C(=O)/C=C\c2ccc(OCCC(=O)[O-])cc2)nnn1-c1ccc(F)cc1 ZINC000255671393 1433887587 /nfs/dbraw/zinc/88/75/87/1433887587.db2.gz PESNAWSPQCSCJO-WCIBSUBMSA-N -1 0 395.390 3.464 20 30 GGEDRM N#CCc1ccc(C(=O)Nc2cccc(C(=O)N3CCCC[C@@H]3C(=O)[O-])c2)cc1 ZINC000262049829 1433924765 /nfs/dbraw/zinc/92/47/65/1433924765.db2.gz FINLPBITXQELMF-LJQANCHMSA-N -1 0 391.427 3.084 20 30 GGEDRM C=CCc1ccc(OCC(=O)N[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])c(OC)c1 ZINC000262457632 1433939884 /nfs/dbraw/zinc/93/98/84/1433939884.db2.gz HYKXSACESMOIPC-YCRPNKLZSA-N -1 0 383.444 3.381 20 30 GGEDRM C=CCc1cc(C(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])cc(OC)c1OC ZINC000262464989 1433940122 /nfs/dbraw/zinc/94/01/22/1433940122.db2.gz YSEWRKWDQUACMS-GOSISDBHSA-N -1 0 381.428 3.084 20 30 GGEDRM C=CCC[C@H](NC(=O)CCc1c(C)nn(Cc2ccc(C)cc2)c1C)C(=O)[O-] ZINC000262793503 1433956672 /nfs/dbraw/zinc/95/66/72/1433956672.db2.gz BZOMEXWWQCMZEA-FQEVSTJZSA-N -1 0 383.492 3.325 20 30 GGEDRM C=CCC[C@@H](NC(=O)Cc1c(C)nn(-c2ccc(Cl)cc2)c1C)C(=O)[O-] ZINC000262802445 1433957451 /nfs/dbraw/zinc/95/74/51/1433957451.db2.gz CSQBSUKBSATFQW-QGZVFWFLSA-N -1 0 375.856 3.221 20 30 GGEDRM C=CCC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000262823243 1433958858 /nfs/dbraw/zinc/95/88/58/1433958858.db2.gz FEISTJXPUYKNHH-CABCVRRESA-N -1 0 399.274 3.134 20 30 GGEDRM C=CCC[C@H](NC(=O)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000262823250 1433958875 /nfs/dbraw/zinc/95/88/75/1433958875.db2.gz FEISTJXPUYKNHH-LSDHHAIUSA-N -1 0 399.274 3.134 20 30 GGEDRM C=CCOC[C@H](NC(=O)[C@H]1CC=CC[C@@H]1c1nc2ccccc2s1)C(=O)[O-] ZINC000262931204 1433967903 /nfs/dbraw/zinc/96/79/03/1433967903.db2.gz GZHQSMHCXGEWRM-DZKIICNBSA-N -1 0 386.473 3.118 20 30 GGEDRM C=CCC[C@H](NC(=O)c1nnn(-c2cccc(Cl)c2)c1CCC)C(=O)[O-] ZINC000262968622 1433971450 /nfs/dbraw/zinc/97/14/50/1433971450.db2.gz SKUMIDICWNWVQR-AWEZNQCLSA-N -1 0 376.844 3.022 20 30 GGEDRM C=CCC[C@@H](NC(=O)c1c(C)nn(Cc2ccccc2Cl)c1C)C(=O)[O-] ZINC000262999039 1433975423 /nfs/dbraw/zinc/97/54/23/1433975423.db2.gz WDBGHRHVERCGOZ-MRXNPFEDSA-N -1 0 375.856 3.351 20 30 GGEDRM C=CCOC[C@@H](NC(=O)c1sc(-c2ccccc2)cc1OCC)C(=O)[O-] ZINC000263079288 1433983710 /nfs/dbraw/zinc/98/37/10/1433983710.db2.gz RXSNADSDZFGURK-CQSZACIVSA-N -1 0 375.446 3.199 20 30 GGEDRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)C1 ZINC000263139127 1433989521 /nfs/dbraw/zinc/98/95/21/1433989521.db2.gz NZGDFCZFIBBTEI-WFASDCNBSA-N -1 0 384.461 3.180 20 30 GGEDRM C=CCOC[C@H](NC(=O)c1ccc(SCc2csc(C)n2)cc1)C(=O)[O-] ZINC000263145659 1433989702 /nfs/dbraw/zinc/98/97/02/1433989702.db2.gz WZXQFCDVDYGRNT-INIZCTEOSA-N -1 0 392.502 3.129 20 30 GGEDRM CCCCCCCCOCCCNC(=O)Cc1c(C)nc2cc[n-]n2c1=O ZINC000264252908 1434088130 /nfs/dbraw/zinc/08/81/30/1434088130.db2.gz NPPBQFFAQBYUAX-UHFFFAOYSA-N -1 0 376.501 3.169 20 30 GGEDRM COc1ccc(/C=C/C(=O)c2ccc([O-])c(CN3CCOCC3)c2)cc1[N+](=O)[O-] ZINC000264358979 1434101843 /nfs/dbraw/zinc/10/18/43/1434101843.db2.gz NZCNNOYGDMNUMD-GORDUTHDSA-N -1 0 398.415 3.037 20 30 GGEDRM C=C1CCN(C(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000264518806 1434123274 /nfs/dbraw/zinc/12/32/74/1434123274.db2.gz UZLPFOBGJRUHHJ-UHFFFAOYSA-N -1 0 386.473 3.288 20 30 GGEDRM O=C([O-])COc1cccc(/C=C/C(=O)c2ccc(N3CCC(O)CC3)cc2)c1 ZINC000265119842 1434187070 /nfs/dbraw/zinc/18/70/70/1434187070.db2.gz CHSHZVFZAKFYNF-RUDMXATFSA-N -1 0 381.428 3.007 20 30 GGEDRM N#C[C@@H](c1ccccc1)N1CCN(C(=O)c2ccc3[n-]c(=S)oc3c2)CC1 ZINC000266810329 1434377707 /nfs/dbraw/zinc/37/77/07/1434377707.db2.gz IKXSERJOWOFXIG-KRWDZBQOSA-N -1 0 378.457 3.139 20 30 GGEDRM C[C@@H](C#N)CN(C)C(=O)c1nn(-c2ccc(Cl)cc2C(F)(F)F)cc1[O-] ZINC000267701292 1434456671 /nfs/dbraw/zinc/45/66/71/1434456671.db2.gz AGKRIDLHMAYYBJ-VIFPVBQESA-N -1 0 386.761 3.482 20 30 GGEDRM COc1cc(OC)cc(S(=O)(=O)[N-]c2cccc(OCCCC#N)c2)c1 ZINC000268989789 1434579062 /nfs/dbraw/zinc/57/90/62/1434579062.db2.gz UOKTWRVKSXISNK-UHFFFAOYSA-N -1 0 376.434 3.187 20 30 GGEDRM C[C@H](CC#N)Sc1ccccc1[N-]S(=O)(=O)c1cnn([C@H]2CCOC2)c1 ZINC000269709761 1434671066 /nfs/dbraw/zinc/67/10/66/1434671066.db2.gz PXFROJAESZBSEN-KGLIPLIRSA-N -1 0 392.506 3.040 20 30 GGEDRM C=CCn1c(=O)c2ccc(C(=O)N3CC=C(C(F)(F)F)CC3)cc2[n-]c1=S ZINC000270535527 1434742469 /nfs/dbraw/zinc/74/24/69/1434742469.db2.gz WIFLSPFNMMELCY-UHFFFAOYSA-N -1 0 395.406 3.206 20 30 GGEDRM N#Cc1cccc(COc2cccc(NC(=O)C(=O)[N-]OC3CCCC3)c2)c1 ZINC000271691145 1434844502 /nfs/dbraw/zinc/84/45/02/1434844502.db2.gz QHQVOEHQZYLDKR-UHFFFAOYSA-N -1 0 379.416 3.066 20 30 GGEDRM Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)[N-]OC1CCCC1 ZINC000271715228 1434845988 /nfs/dbraw/zinc/84/59/88/1434845988.db2.gz VVTNLPNFVVUJRK-UHFFFAOYSA-N -1 0 393.443 3.375 20 30 GGEDRM COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(=O)[N-]OC2CCCC2)cc1 ZINC000271727009 1434846469 /nfs/dbraw/zinc/84/64/69/1434846469.db2.gz XTTSOUFWLIXBGQ-UHFFFAOYSA-N -1 0 395.415 3.288 20 30 GGEDRM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3ccccc3O[C@@H](C)C#N)cc2C[C@H]1C ZINC000272441806 1434896622 /nfs/dbraw/zinc/89/66/22/1434896622.db2.gz LIFMYFPKIOXKMD-KGLIPLIRSA-N -1 0 399.472 3.076 20 30 GGEDRM C[C@H](C#N)Oc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCCC(=O)N2 ZINC000272472498 1434898675 /nfs/dbraw/zinc/89/86/75/1434898675.db2.gz PQPSZPPRSNYPJI-CYBMUJFWSA-N -1 0 385.445 3.053 20 30 GGEDRM C[C@@H](C#N)Oc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCCC(=O)N2 ZINC000272472503 1434898701 /nfs/dbraw/zinc/89/87/01/1434898701.db2.gz PQPSZPPRSNYPJI-ZDUSSCGKSA-N -1 0 385.445 3.053 20 30 GGEDRM C=CCN(CCc1ccco1)C(=O)CCc1c(C)nc(-c2cccnc2)[nH]c1=O ZINC000272703654 1434924284 /nfs/dbraw/zinc/92/42/84/1434924284.db2.gz ZGWGHENVIKSKQV-UHFFFAOYSA-N -1 0 392.459 3.336 20 30 GGEDRM CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)N(CCC#N)Cc1ccccn1 ZINC000273714705 1435007360 /nfs/dbraw/zinc/00/73/60/1435007360.db2.gz PMONZCQOHHMTSJ-UHFFFAOYSA-N -1 0 387.461 3.008 20 30 GGEDRM N#Cc1cccc(NC(=O)C2CCN(C(=O)c3cc(F)c([O-])c(F)c3)CC2)c1 ZINC000273931269 1435029676 /nfs/dbraw/zinc/02/96/76/1435029676.db2.gz HYMLLRBUWOILTD-UHFFFAOYSA-N -1 0 385.370 3.033 20 30 GGEDRM COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1ncccc1OCCCC#N ZINC000278492196 1435394859 /nfs/dbraw/zinc/39/48/59/1435394859.db2.gz LOKPINCNSROGIE-UHFFFAOYSA-N -1 0 375.450 3.190 20 30 GGEDRM CCOC(=O)c1scnc1/C=C/C(=O)c1ccc(OCCCC(=O)[O-])cc1 ZINC000279999970 1435574742 /nfs/dbraw/zinc/57/47/42/1435574742.db2.gz HTHNYMCOTQKJRY-MDZDMXLPSA-N -1 0 389.429 3.460 20 30 GGEDRM Cc1ccc(N2CCOCC2)cc1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000282103222 1435834689 /nfs/dbraw/zinc/83/46/89/1435834689.db2.gz YEKQJQBHJYMJQE-UHFFFAOYSA-N -1 0 391.880 3.158 20 30 GGEDRM CCCCCCC[C@]1(C)NC(=O)N([N-]C(=O)c2nc3cccnc3s2)C1=O ZINC000283767461 1435919453 /nfs/dbraw/zinc/91/94/53/1435919453.db2.gz LGZORWKVENHSNM-SFHVURJKSA-N -1 0 389.481 3.007 20 30 GGEDRM CC(C)[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000824206674 1441430673 /nfs/dbraw/zinc/43/06/73/1441430673.db2.gz GKUPNWMAZFOHGR-KRWDZBQOSA-N -1 0 396.838 3.434 20 30 GGEDRM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NCc2cnc(-c3ccncc3)s2)o1 ZINC000820108789 1441440554 /nfs/dbraw/zinc/44/05/54/1441440554.db2.gz SWSMFQWPCWIULK-UHFFFAOYSA-N -1 0 395.452 3.018 20 30 GGEDRM Cc1ccc(-c2csc([C@H](C#N)C(=O)c3c[nH]c(-c4nnn[n-]4)c3)n2)cc1 ZINC000826273831 1441447298 /nfs/dbraw/zinc/44/72/98/1441447298.db2.gz WJMRRPROOQRMIF-CYBMUJFWSA-N -1 0 375.417 3.117 20 30 GGEDRM COc1ccc(C=NNc2ccc(OC(F)(F)F)cc2)cc1-c1nn[n-]n1 ZINC000737083601 1441451149 /nfs/dbraw/zinc/45/11/49/1441451149.db2.gz SDVOJJFRDVRNPD-UHFFFAOYSA-N -1 0 378.314 3.220 20 30 GGEDRM C#CCOc1ccccc1[C@@H](C)OC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000735387819 1441466809 /nfs/dbraw/zinc/46/68/09/1441466809.db2.gz HAUIWGIBEOWGBV-OAHLLOKOSA-N -1 0 376.416 3.116 20 30 GGEDRM C[C@H](NC(=O)N[C@H](CCC#N)c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824498348 1441506456 /nfs/dbraw/zinc/50/64/56/1441506456.db2.gz FLOUANALYDPYRM-KBXCAEBGSA-N -1 0 375.436 3.272 20 30 GGEDRM Cc1nn(C)c(C)c1C(=NNc1ccc(-c2nn[n-]n2)c(Cl)c1)C(F)(F)F ZINC000826333136 1441514144 /nfs/dbraw/zinc/51/41/44/1441514144.db2.gz VQWKIEXYFPPTOD-UHFFFAOYSA-N -1 0 398.780 3.249 20 30 GGEDRM O=C1C(=Cc2cnn(Cc3ccccc3)c2)CCc2cc(-c3nn[n-]n3)ccc21 ZINC000823504951 1441520644 /nfs/dbraw/zinc/52/06/44/1441520644.db2.gz WDOBTYKKCJDIKD-ZDLGFXPLSA-N -1 0 382.427 3.324 20 30 GGEDRM O=[N+]([O-])c1ccccc1C[C@@H]1CCCC1=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000826499866 1441521486 /nfs/dbraw/zinc/52/14/86/1441521486.db2.gz BNAKXOSLFIALKQ-INIZCTEOSA-N -1 0 391.435 3.263 20 30 GGEDRM COc1ccc(C=CC(=O)c2ccc(-n3ccnc3C)cc2)cc1-c1nn[n-]n1 ZINC000821787128 1441525356 /nfs/dbraw/zinc/52/53/56/1441525356.db2.gz OOAATIDYVUMTOZ-OQFOIZHKSA-N -1 0 386.415 3.266 20 30 GGEDRM FC(F)(F)COc1ccc(CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)cc1 ZINC000826368001 1441529735 /nfs/dbraw/zinc/52/97/35/1441529735.db2.gz XYEWDVWNLLSKMZ-UHFFFAOYSA-N -1 0 397.748 3.302 20 30 GGEDRM CCCc1c(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cnn1-c1ccccc1 ZINC000825348400 1441568182 /nfs/dbraw/zinc/56/81/82/1441568182.db2.gz IXJANOWUJPBKHV-UHFFFAOYSA-N -1 0 398.430 3.129 20 30 GGEDRM N#Cc1ccc(NC(=O)c2cc(Oc3ccccc3)ccn2)cc1-c1nnn[n-]1 ZINC000822829807 1441583565 /nfs/dbraw/zinc/58/35/65/1441583565.db2.gz KGUTVIBXFMWYSI-UHFFFAOYSA-N -1 0 383.371 3.178 20 30 GGEDRM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)Nc2ccc(C#N)cn2)cc1 ZINC000822145587 1441605190 /nfs/dbraw/zinc/60/51/90/1441605190.db2.gz RUNSPINKFSXYSB-UHFFFAOYSA-N -1 0 397.398 3.486 20 30 GGEDRM 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ZINC000824516579 1446523629 /nfs/dbraw/zinc/52/36/29/1446523629.db2.gz YEEWZMBYFIWNLA-CQSZACIVSA-N -1 0 395.426 3.291 20 30 GGEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H](C)c1ccc(OC)cc1 ZINC000735419003 1446571052 /nfs/dbraw/zinc/57/10/52/1446571052.db2.gz ODGPXMCAWMMDIX-OAHLLOKOSA-N -1 0 377.448 3.194 20 30 GGEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NC1CCC(OC(C)C)CC1 ZINC000823909655 1446586185 /nfs/dbraw/zinc/58/61/85/1446586185.db2.gz MOIXHSOBVBKMFO-UHFFFAOYSA-N -1 0 398.511 3.301 20 30 GGEDRM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000824148268 1446591636 /nfs/dbraw/zinc/59/16/36/1446591636.db2.gz QMKOZLBBJQXMOF-UHFFFAOYSA-N -1 0 375.436 3.231 20 30 GGEDRM CC(C)Oc1ccc(NC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1C#N ZINC000820164340 1446610237 /nfs/dbraw/zinc/61/02/37/1446610237.db2.gz ICMMXLXMDYAQKH-CYBMUJFWSA-N -1 0 391.435 3.408 20 30 GGEDRM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H](C#N)c1ccc(Cl)cc1 ZINC000824173418 1446610610 /nfs/dbraw/zinc/61/06/10/1446610610.db2.gz YHYZEXGCZNFWQT-INIZCTEOSA-N -1 0 396.838 3.059 20 30 GGEDRM C#CCN(CC)C(=O)c1ccccc1SCc1ccc(-c2nn[n-]n2)cc1 ZINC000823846033 1446632367 /nfs/dbraw/zinc/63/23/67/1446632367.db2.gz XXMCKKMTWHNDAW-UHFFFAOYSA-N -1 0 377.473 3.254 20 30 GGEDRM N#Cc1cc(COC(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)ccn1 ZINC000822818804 1446646683 /nfs/dbraw/zinc/64/66/83/1446646683.db2.gz GAVXGHNROBFUJW-UHFFFAOYSA-N -1 0 382.383 3.157 20 30 GGEDRM Cc1ccc(-c2nc(C=NNc3cc(-c4nn[n-]n4)cc(Cl)n3)co2)cc1 ZINC000826273494 1446685615 /nfs/dbraw/zinc/68/56/15/1446685615.db2.gz GZTDCOPNSDLFIX-UHFFFAOYSA-N -1 0 380.799 3.325 20 30 GGEDRM Cc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)c(Br)s1 ZINC000822176251 1446687270 /nfs/dbraw/zinc/68/72/70/1446687270.db2.gz HOIHSSULKZHBFI-UHFFFAOYSA-N -1 0 389.238 3.123 20 30 GGEDRM CCc1c(C)sc(NC(=O)[C@H](C)Oc2ccc(-c3nn[n-]n3)cc2)c1C#N ZINC000736669425 1446756397 /nfs/dbraw/zinc/75/63/97/1446756397.db2.gz HNBPXCQKPVOMGT-JTQLQIEISA-N -1 0 382.449 3.077 20 30 GGEDRM C=C(C)COc1cccc(N[C@@H](C(=O)OC)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000819722385 1446774258 /nfs/dbraw/zinc/77/42/58/1446774258.db2.gz IDARNDMYUGGTFD-GOSISDBHSA-N -1 0 379.420 3.148 20 30 GGEDRM Cc1nc(-c2ccccc2)ccc1C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000737463619 1446798142 /nfs/dbraw/zinc/79/81/42/1446798142.db2.gz WNIGOPUKTOHFPP-UHFFFAOYSA-N -1 0 381.399 3.361 20 30 GGEDRM N#Cc1cc(NC(=O)CCc2cccc(Br)c2)ccc1-c1nn[n-]n1 ZINC000737707991 1446799526 /nfs/dbraw/zinc/79/95/26/1446799526.db2.gz CHJZPXBWAMANSW-UHFFFAOYSA-N -1 0 397.236 3.072 20 30 GGEDRM N#Cc1cc(NC(=O)C2(c3ccc(F)cc3F)CCCC2)ccc1-c1nn[n-]n1 ZINC000826384503 1446837529 /nfs/dbraw/zinc/83/75/29/1446837529.db2.gz YFOUTEVEKFZQHT-UHFFFAOYSA-N -1 0 394.385 3.467 20 30 GGEDRM N#Cc1ccccc1N1CCCN(c2nc3ccccc3cc2-c2nn[n-]n2)CC1 ZINC000822842336 1446873594 /nfs/dbraw/zinc/87/35/94/1446873594.db2.gz CPMNYEYFZHTAQW-UHFFFAOYSA-N -1 0 396.458 3.003 20 30 GGEDRM C#CCOc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cc1 ZINC000819709589 1446874118 /nfs/dbraw/zinc/87/41/18/1446874118.db2.gz KXQQCMIQUGQWDV-UHFFFAOYSA-N -1 0 387.321 3.150 20 30 GGEDRM CC[C@H](C)c1ccccc1OCC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000736326963 1446900682 /nfs/dbraw/zinc/90/06/82/1446900682.db2.gz JUVNZXBHLLULHB-ZDUSSCGKSA-N -1 0 376.420 3.269 20 30 GGEDRM C=CCOc1cccc(CN2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)c1 ZINC000823931661 1446904462 /nfs/dbraw/zinc/90/44/62/1446904462.db2.gz CQLHLXKVHRTSJW-FQEVSTJZSA-N -1 0 377.448 3.005 20 30 GGEDRM Fc1cccc(-n2ccc(NCC#Cc3ccccc3Cl)n2)c1-c1nn[n-]n1 ZINC000826376684 1446912337 /nfs/dbraw/zinc/91/23/37/1446912337.db2.gz NTFAXQBZZOSQQK-UHFFFAOYSA-N -1 0 393.813 3.309 20 30 GGEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@H](C)Oc1ccccc1 ZINC000735420991 1446920061 /nfs/dbraw/zinc/92/00/61/1446920061.db2.gz WOFNZSNFTZCTRX-INIZCTEOSA-N -1 0 392.463 3.032 20 30 GGEDRM C=C[C@@H](CC(=O)N(CCOC)Cc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000823882816 1446920175 /nfs/dbraw/zinc/92/01/75/1446920175.db2.gz DQCMNVKEXOROIR-SFHVURJKSA-N -1 0 391.475 3.202 20 30 GGEDRM C#Cc1cccc(N2C(=O)C(=Cc3ccc(-c4nn[n-]n4)cc3)SC2=S)c1 ZINC000735390689 1446931050 /nfs/dbraw/zinc/93/10/50/1446931050.db2.gz CAJZTVRUCMQZJJ-LFIBNONCSA-N -1 0 389.465 3.254 20 30 GGEDRM C[C@@H](Nc1ccc(CC#N)cc1)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736139759 1446933834 /nfs/dbraw/zinc/93/38/34/1446933834.db2.gz QWIKHDDTYQIPBM-LLVKDONJSA-N -1 0 381.827 3.025 20 30 GGEDRM CN(C)c1ccc(C=NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)s1 ZINC000736772752 1446950380 /nfs/dbraw/zinc/95/03/80/1446950380.db2.gz HKNZRLXNEYJLGA-UHFFFAOYSA-N -1 0 381.387 3.459 20 30 GGEDRM CCCOc1ccc(C=NOCCOc2ccccc2-c2nn[n-]n2)cc1OC ZINC000825338897 1446967453 /nfs/dbraw/zinc/96/74/53/1446967453.db2.gz JKGLHZYTELISIJ-UHFFFAOYSA-N -1 0 397.435 3.094 20 30 GGEDRM C#Cc1cccc(NC(=O)Nc2ccc(NC(=O)OCC)c(-c3nn[n-]n3)c2)c1 ZINC000823861617 1446982505 /nfs/dbraw/zinc/98/25/05/1446982505.db2.gz OHVSTEDYLAXJKR-UHFFFAOYSA-N -1 0 391.391 3.060 20 30 GGEDRM N#Cc1cc(-c2nn[n-]n2)c(N)nc1SCc1cc(Cl)ccc1Cl ZINC000737705816 1446982589 /nfs/dbraw/zinc/98/25/89/1446982589.db2.gz RDBPYGNSSXUZBM-UHFFFAOYSA-N -1 0 378.248 3.315 20 30 GGEDRM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H](C)c1cccc(C#N)c1 ZINC000820342090 1446999323 /nfs/dbraw/zinc/99/93/23/1446999323.db2.gz SZQTYOXNZOTRKM-HNNXBMFYSA-N -1 0 389.463 3.420 20 30 GGEDRM O=C1c2c3ccccc3[nH]c2CCC1=Cc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000826477169 1447054649 /nfs/dbraw/zinc/05/46/49/1447054649.db2.gz WWZFIXDIDZLJCC-FMIVXFBMSA-N -1 0 381.399 3.208 20 30 GGEDRM Fc1cc(C=NNc2cc(-c3nn[n-]n3)cc(Cl)n2)ccc1OC(F)F ZINC000826372488 1447057587 /nfs/dbraw/zinc/05/75/87/1447057587.db2.gz YUJSCVLUHDRAGZ-UHFFFAOYSA-N -1 0 383.721 3.102 20 30 GGEDRM C#CCSCCNC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000819709303 1447061269 /nfs/dbraw/zinc/06/12/69/1447061269.db2.gz BQPVBPZBKDUEKA-UHFFFAOYSA-N -1 0 393.472 3.064 20 30 GGEDRM N#Cc1ccc(NC(=O)c2ccc3ccc(Cl)cc3n2)cc1-c1nnn[n-]1 ZINC000822829862 1447111209 /nfs/dbraw/zinc/11/12/09/1447111209.db2.gz MNMFFRVAXURRAW-UHFFFAOYSA-N -1 0 375.779 3.192 20 30 GGEDRM COCCC(N=Nc1oc(CC(C)C)nc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000736976659 1447115763 /nfs/dbraw/zinc/11/57/63/1447115763.db2.gz NNQZYHFUZQEDBF-UHFFFAOYSA-N -1 0 387.419 3.045 20 30 GGEDRM C=C(C)[C@@H](CC(=O)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1)OCC ZINC000823874791 1447138436 /nfs/dbraw/zinc/13/84/36/1447138436.db2.gz YXSACQGVCSTNRY-OAHLLOKOSA-N -1 0 384.465 3.300 20 30 GGEDRM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000826250962 1447142217 /nfs/dbraw/zinc/14/22/17/1447142217.db2.gz ASXHTFKKGFRHIL-SNVBAGLBSA-N -1 0 378.461 3.485 20 30 GGEDRM CN(Cc1ccc(C#N)cc1)c1c(-c2nn[n-]n2)cnc2c(F)ccc(F)c21 ZINC000736817297 1447151816 /nfs/dbraw/zinc/15/18/16/1447151816.db2.gz XGZXVJKYZXOAME-UHFFFAOYSA-N -1 0 377.358 3.201 20 30 GGEDRM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)CCc1ccc(C#N)cc1 ZINC000736487936 1447161784 /nfs/dbraw/zinc/16/17/84/1447161784.db2.gz KOKBKGXUGROEKT-UHFFFAOYSA-N -1 0 375.436 3.132 20 30 GGEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1cccc(N(C)C)c1C ZINC000823910110 1447196820 /nfs/dbraw/zinc/19/68/20/1447196820.db2.gz XMORUCYNRDPJDV-UHFFFAOYSA-N -1 0 391.479 3.461 20 30 GGEDRM O=C(C=Cc1cc2c(cc1OC(F)F)OCO2)c1ccc(-c2nn[n-]n2)s1 ZINC000826400009 1447200181 /nfs/dbraw/zinc/20/01/81/1447200181.db2.gz MRDGGVBZYVFQDB-UPHRSURJSA-N -1 0 392.343 3.154 20 30 GGEDRM N#CCC1(COC(=O)c2cccc(OCc3ccccc3-c3nn[n-]n3)c2)CC1 ZINC000822806602 1447238693 /nfs/dbraw/zinc/23/86/93/1447238693.db2.gz QCTLNMQODOBXFK-UHFFFAOYSA-N -1 0 389.415 3.296 20 30 GGEDRM CCNc1ccc(C#N)cc1NCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000825480769 1447255112 /nfs/dbraw/zinc/25/51/12/1447255112.db2.gz JTPFKQFRLFROIV-UHFFFAOYSA-N -1 0 385.378 3.384 20 30 GGEDRM N#Cc1cccc(Oc2ccc(NC(=O)c3ccc(-c4nnn[n-]4)cn3)cc2)c1 ZINC000737730596 1447264529 /nfs/dbraw/zinc/26/45/29/1447264529.db2.gz NIFUNTMEJWGLPU-UHFFFAOYSA-N -1 0 383.371 3.178 20 30 GGEDRM N#Cc1ccccc1CSCCNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000737727672 1449008405 /nfs/dbraw/zinc/00/84/05/1449008405.db2.gz QIIKRFDHWQBFBI-UHFFFAOYSA-N -1 0 388.460 3.027 20 30 GGEDRM C[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000736182368 1449065105 /nfs/dbraw/zinc/06/51/05/1449065105.db2.gz NSGVMQAYBWXGPT-CYBMUJFWSA-N -1 0 390.447 3.442 20 30 GGEDRM C=CCCCCCN(C)C(=O)CSc1nc(C)c(C)c(C)c1-c1nn[n-]n1 ZINC000735408889 1449095022 /nfs/dbraw/zinc/09/50/22/1449095022.db2.gz ULPNXCZVDMGPPU-UHFFFAOYSA-N -1 0 388.541 3.484 20 30 GGEDRM C=CCN(Cc1ccccc1)C(=O)c1cc(C)n(-c2cccc(-c3nn[n-]n3)c2)n1 ZINC000823919813 1449096323 /nfs/dbraw/zinc/09/63/23/1449096323.db2.gz RVIBJLNFTHWQKR-UHFFFAOYSA-N -1 0 399.458 3.189 20 30 GGEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H](C)c1c(F)cccc1F ZINC000823909438 1449148299 /nfs/dbraw/zinc/14/82/99/1449148299.db2.gz DICUJHOXBUWIDX-ZDUSSCGKSA-N -1 0 383.402 3.463 20 30 GGEDRM N#C[C@H](c1ccccc1)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000822802030 1449161610 /nfs/dbraw/zinc/16/16/10/1449161610.db2.gz UMDKNGKPHSXCNX-CVEARBPZSA-N -1 0 375.392 3.051 20 30 GGEDRM N#Cc1cccc(-c2c[nH]c(CNc3nc4c(cc3-c3nn[n-]n3)CCCC4)n2)c1 ZINC000826386570 1449209099 /nfs/dbraw/zinc/20/90/99/1449209099.db2.gz KENUTWIPCLXYHU-UHFFFAOYSA-N -1 0 397.446 3.014 20 30 GGEDRM C[C@@H](C#N)CSc1ccccc1NC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000735502507 1449274131 /nfs/dbraw/zinc/27/41/31/1449274131.db2.gz FNHAALOLBNGGSZ-ZDUSSCGKSA-N -1 0 394.460 3.136 20 30 GGEDRM CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000736237309 1449288665 /nfs/dbraw/zinc/28/86/65/1449288665.db2.gz PDLQWWAOPXEWEC-QBIMZIAESA-N -1 0 382.468 3.154 20 30 GGEDRM O=C(CCCc1nn[n-]n1)Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 ZINC000898080369 1449299870 /nfs/dbraw/zinc/29/98/70/1449299870.db2.gz GADGJBLZFODANF-UHFFFAOYSA-N -1 0 399.270 3.451 20 30 GGEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1cc2c(cc1C)OCO2 ZINC000823909427 1449310202 /nfs/dbraw/zinc/31/02/02/1449310202.db2.gz DBLDULZDYWMVEP-UHFFFAOYSA-N -1 0 392.419 3.124 20 30 GGEDRM CC(=O)Nc1ccc(C=NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cc1 ZINC000735484501 1449313756 /nfs/dbraw/zinc/31/37/56/1449313756.db2.gz NOMJSOFOXJSCNH-UHFFFAOYSA-N -1 0 389.341 3.290 20 30 GGEDRM CCCCCCC[C@H](C)CNC(=O)C(=O)Nc1cccc(C)c1-c1nn[n-]n1 ZINC000821049259 1449321287 /nfs/dbraw/zinc/32/12/87/1449321287.db2.gz JQTOSIVODWQDKV-AWEZNQCLSA-N -1 0 386.500 3.226 20 30 GGEDRM C#CCOc1ccccc1[C@H](C)OC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000735387818 1449322662 /nfs/dbraw/zinc/32/26/62/1449322662.db2.gz HAUIWGIBEOWGBV-HNNXBMFYSA-N -1 0 376.416 3.116 20 30 GGEDRM N#Cc1cc2c(nc1N1CC=C(c3ccc(-c4nn[n-]n4)cc3)CC1)CCCC2 ZINC000826384448 1449328617 /nfs/dbraw/zinc/32/86/17/1449328617.db2.gz WEJLPXJJFTZGAA-UHFFFAOYSA-N -1 0 383.459 3.306 20 30 GGEDRM Cn1cc(C#N)cc1C(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822665826 1449377785 /nfs/dbraw/zinc/37/77/85/1449377785.db2.gz ZTMWINPZJXOVNH-UHFFFAOYSA-N -1 0 385.387 3.121 20 30 GGEDRM Brc1ccc2c(c1)OCCC2=NNc1ccc(-c2nn[n-]n2)cc1 ZINC000823832661 1449411191 /nfs/dbraw/zinc/41/11/91/1449411191.db2.gz SBOQPJMGETUTAP-UHFFFAOYSA-N -1 0 385.225 3.228 20 30 GGEDRM O=C1c2ccc(Br)cc2OC1=Cc1cc(-c2nn[n-]n2)cs1 ZINC000823504458 1449430700 /nfs/dbraw/zinc/43/07/00/1449430700.db2.gz QIOJCCVSZHOVJD-LFYBBSHMSA-N -1 0 375.207 3.307 20 30 GGEDRM O=C(C=Cc1cn(-c2ccc(F)c(Cl)c2)nn1)c1cccc(-c2nn[n-]n2)c1 ZINC000826403656 1449439218 /nfs/dbraw/zinc/43/92/18/1449439218.db2.gz YMVDZYFAZDDXBX-QPJJXVBHSA-N -1 0 395.785 3.136 20 30 GGEDRM Cc1c(C(=O)C=Cc2nc3c(s2)CCCC3)c(-c2nn[n-]n2)c2n1CCC2 ZINC000826234175 1449552254 /nfs/dbraw/zinc/55/22/54/1449552254.db2.gz LAIKROHFYQMLLJ-HJWRWDBZSA-N -1 0 380.477 3.154 20 30 GGEDRM N#CCOc1ccc(CNc2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)cc1 ZINC000737697913 1449564205 /nfs/dbraw/zinc/56/42/05/1449564205.db2.gz OMXZZVOYDXWSLC-UHFFFAOYSA-N -1 0 393.357 3.208 20 30 GGEDRM C=CCN(CC=C)C(=O)CSc1nc(-c2ccccc2)ccc1-c1nnn[n-]1 ZINC000735419006 1449639728 /nfs/dbraw/zinc/63/97/28/1449639728.db2.gz OFDIXAGZGRSHPY-UHFFFAOYSA-N -1 0 392.488 3.221 20 30 GGEDRM N#Cc1ccccc1Oc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)cc1F ZINC000826387263 1449659623 /nfs/dbraw/zinc/65/96/23/1449659623.db2.gz MTDRPEUVXOALHV-UHFFFAOYSA-N -1 0 389.350 3.250 20 30 GGEDRM COc1ccc2[nH]cc(CN=Nc3oc(C(C)(C)C)nc3-c3nn[n-]n3)c2c1 ZINC000737115885 1449663174 /nfs/dbraw/zinc/66/31/74/1449663174.db2.gz SDWNNDRMOYTZDU-UHFFFAOYSA-N -1 0 380.412 3.088 20 30 GGEDRM C=CCCO[C@H](C)C(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735415923 1449672318 /nfs/dbraw/zinc/67/23/18/1449672318.db2.gz ASNKGLSSMHXVAN-OAHLLOKOSA-N -1 0 393.447 3.365 20 30 GGEDRM Cc1c(Cl)cnc(N2CCC(Oc3ccc(C#N)cc3)CC2)c1-c1nn[n-]n1 ZINC000826237896 1449675142 /nfs/dbraw/zinc/67/51/42/1449675142.db2.gz PETPCBBPOAUSQM-UHFFFAOYSA-N -1 0 395.854 3.143 20 30 GGEDRM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1c(F)cc(C#N)cc1F ZINC000821104611 1449679068 /nfs/dbraw/zinc/67/90/68/1449679068.db2.gz JZVZUQOIGYNXCM-UHFFFAOYSA-N -1 0 382.374 3.069 20 30 GGEDRM COC(=O)c1cc(C=NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)oc1C ZINC000736941752 1449702554 /nfs/dbraw/zinc/70/25/54/1449702554.db2.gz UFIWPPWHKIRTQS-UHFFFAOYSA-N 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395.455 3.432 20 30 GGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(F)c(NC(=O)C2CCCCC2)c1 ZINC000819856921 955459030 /nfs/dbraw/zinc/45/90/30/955459030.db2.gz POXDKVOHIYROHT-IBGZPJMESA-N -1 0 375.400 3.288 20 30 GGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)OCCc1cc2cc(Br)ccc2o1 ZINC000819874460 955461019 /nfs/dbraw/zinc/46/10/19/955461019.db2.gz LCGWCPZRCJFQLY-MRXNPFEDSA-N -1 0 380.194 3.286 20 30 GGEDRM COC(=O)c1cccc(CN2C[C@H](CCC(=O)[O-])Cc3ccccc32)c1C#N ZINC001593886302 955751869 /nfs/dbraw/zinc/75/18/69/955751869.db2.gz UFVCDDCTIBZPFZ-OAHLLOKOSA-N -1 0 378.428 3.389 20 30 GGEDRM COC(=O)c1cccc(CN2C[C@@H](CCC(=O)[O-])Cc3ccccc32)c1C#N ZINC001593886295 955752049 /nfs/dbraw/zinc/75/20/49/955752049.db2.gz UFVCDDCTIBZPFZ-HNNXBMFYSA-N -1 0 378.428 3.389 20 30 GGEDRM Cn1nccc1[C@H](NC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)C(=O)[O-] ZINC001594588945 956029880 /nfs/dbraw/zinc/02/98/80/956029880.db2.gz DDMSLHUBANUSSH-HKUYNNGSSA-N -1 0 389.415 3.023 20 30 GGEDRM COC(=O)[C@@H](c1ccc(C#N)cc1)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000873640489 956068951 /nfs/dbraw/zinc/06/89/51/956068951.db2.gz FMUAKTVJBYLZQO-HXUWFJFHSA-N -1 0 378.428 3.350 20 30 GGEDRM C[C@@H](NC(=O)Nc1cnn(Cc2ccc(C#N)cc2)c1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589113599 956071919 /nfs/dbraw/zinc/07/19/19/956071919.db2.gz PEUYCYKEXWKBJV-JEBQAFNWSA-N -1 0 395.463 3.060 20 30 GGEDRM C[C@@H](NC(=O)c1ccc(Br)cc1C#N)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589114666 956084929 /nfs/dbraw/zinc/08/49/29/956084929.db2.gz DOMHUEZUSUQVAR-BIGNPOOSSA-N -1 0 379.254 3.186 20 30 GGEDRM CO[C@@](C)(C(=O)[O-])C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 ZINC001593930830 956177187 /nfs/dbraw/zinc/17/71/87/956177187.db2.gz HDCYWGWUXJGNGP-LJQANCHMSA-N -1 0 388.807 3.219 20 30 GGEDRM CO[C@](C)(C(=O)[O-])C(=O)Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 ZINC001593931038 956180490 /nfs/dbraw/zinc/18/04/90/956180490.db2.gz XXUIPEBSJTVOKP-NSHDSACASA-N -1 0 391.239 3.404 20 30 GGEDRM N#CCCCOc1cccc(NC(=O)C2=NN(c3ccccc3)[C@@H](C(=O)[O-])C2)c1 ZINC001594609080 956189978 /nfs/dbraw/zinc/18/99/78/956189978.db2.gz MYVNSZCNITWHDA-LJQANCHMSA-N -1 0 392.415 3.027 20 30 GGEDRM N#CCc1ccc(Oc2ccc(C(=O)NCC3(C(=O)[O-])CCOCC3)cc2)cc1 ZINC001594610961 956209467 /nfs/dbraw/zinc/20/94/67/956209467.db2.gz DLCHFPTUXXQXDQ-UHFFFAOYSA-N -1 0 394.427 3.156 20 30 GGEDRM N#Cc1c(F)cccc1-n1ccc(NC(=O)N2CCCC[C@@H]2CCC(=O)[O-])n1 ZINC001594611802 956220345 /nfs/dbraw/zinc/22/03/45/956220345.db2.gz FSSVAOOFYYNSIA-CYBMUJFWSA-N -1 0 385.399 3.134 20 30 GGEDRM N#Cc1c(F)cccc1Oc1ccc(C(=O)NCC2(C(=O)[O-])CCOCC2)cc1 ZINC001594612064 956226061 /nfs/dbraw/zinc/22/60/61/956226061.db2.gz WEBYKGNSWUVSQD-UHFFFAOYSA-N -1 0 398.390 3.101 20 30 GGEDRM N#Cc1cc(Br)ccc1C(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001594613862 956226987 /nfs/dbraw/zinc/22/69/87/956226987.db2.gz FMWIKBSJKHYKBD-DLBZAZTESA-N -1 0 399.244 3.261 20 30 GGEDRM N#Cc1cc(Br)ccc1C(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001594614117 956228148 /nfs/dbraw/zinc/22/81/48/956228148.db2.gz JLZHELLSWXTIIB-JKSUJKDBSA-N -1 0 385.217 3.364 20 30 GGEDRM N#Cc1cc(Br)ccc1CC(=O)N1CCc2ccccc2[C@H]1C(=O)[O-] ZINC001594613927 956228189 /nfs/dbraw/zinc/22/81/89/956228189.db2.gz HLECWAKPHFDVRF-SFHVURJKSA-N -1 0 399.244 3.074 20 30 GGEDRM N#Cc1cc(C(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)cnc1C(F)(F)F ZINC001594614545 956231929 /nfs/dbraw/zinc/23/19/29/956231929.db2.gz YCBNCVSGBSUFAR-ZIAGYGMSSA-N -1 0 375.306 3.015 20 30 GGEDRM N#Cc1cc(C(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)cnc1C(F)(F)F ZINC001594614542 956232581 /nfs/dbraw/zinc/23/25/81/956232581.db2.gz YCBNCVSGBSUFAR-KBPBESRZSA-N -1 0 375.306 3.015 20 30 GGEDRM N#Cc1cc(NC(=O)c2ccc(OCC(=O)[O-])cc2)ccc1Br ZINC001594615652 956234943 /nfs/dbraw/zinc/23/49/43/956234943.db2.gz DTLUHTHUYYLSCJ-UHFFFAOYSA-N -1 0 375.178 3.036 20 30 GGEDRM N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)c2cccc(OCC(=O)[O-])c2)n1 ZINC001594617114 956246642 /nfs/dbraw/zinc/24/66/42/956246642.db2.gz YHQOIWREENOPCJ-UHFFFAOYSA-N -1 0 396.790 3.113 20 30 GGEDRM N#Cc1ccc(-n2ccc(NC(=O)c3coc(/C=C\C(=O)[O-])c3)n2)c(Cl)c1 ZINC001594617519 956249114 /nfs/dbraw/zinc/24/91/14/956249114.db2.gz NWHQJVHJIFKNDM-RQOWECAXSA-N -1 0 382.763 3.340 20 30 GGEDRM N#Cc1ccc([C@H]2CN(C(=O)Nc3cccc(CCC(=O)[O-])c3)CCO2)cc1 ZINC001594618104 956260035 /nfs/dbraw/zinc/26/00/35/956260035.db2.gz CSGKNUIMSKGELE-LJQANCHMSA-N -1 0 379.416 3.181 20 30 GGEDRM N#Cc1ccc(Cc2cnc(NC(=O)Cc3ccccc3C(=O)[O-])s2)cc1 ZINC001594620056 956273665 /nfs/dbraw/zinc/27/36/65/956273665.db2.gz ZKRZVBIZKZCJOA-UHFFFAOYSA-N -1 0 377.425 3.485 20 30 GGEDRM N#Cc1ccc(CNC(=O)Nc2cc(C(=O)[O-])ccc2Br)s1 ZINC001594620596 956277432 /nfs/dbraw/zinc/27/74/32/956277432.db2.gz NIWNHUMDZGMPDV-UHFFFAOYSA-N -1 0 380.223 3.402 20 30 GGEDRM N#Cc1ccc(N2CCN(C(=O)Nc3cccc(CCC(=O)[O-])c3)CC2)c(F)c1 ZINC001594622009 956290365 /nfs/dbraw/zinc/29/03/65/956290365.db2.gz WWQDQPOPYYSQTL-UHFFFAOYSA-N -1 0 396.422 3.069 20 30 GGEDRM N#Cc1sc2ccccc2c1S(=O)(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000899922228 956292113 /nfs/dbraw/zinc/29/21/13/956292113.db2.gz QYKCEDKFIWARLB-LBPRGKRZSA-N -1 0 378.475 3.038 20 30 GGEDRM N#Cc1cccc([C@@H]2CN(C(=O)Nc3cccc(CCC(=O)[O-])c3)CCO2)c1 ZINC001594624988 956304935 /nfs/dbraw/zinc/30/49/35/956304935.db2.gz ACNSTDXSCODTCJ-IBGZPJMESA-N -1 0 379.416 3.181 20 30 GGEDRM N#Cc1ccc(Oc2ccc(C(=O)Nc3nc4ccccn4c3C(=O)[O-])cc2)nc1 ZINC001594625279 956308209 /nfs/dbraw/zinc/30/82/09/956308209.db2.gz LKGOYUYKPWTSEX-UHFFFAOYSA-N -1 0 399.366 3.344 20 30 GGEDRM N#Cc1cccc(C2(NC(=O)Nc3ccccc3CC(=O)[O-])CCOCC2)c1 ZINC001594625735 956311595 /nfs/dbraw/zinc/31/15/95/956311595.db2.gz ODAMITAORIGVEJ-UHFFFAOYSA-N -1 0 379.416 3.013 20 30 GGEDRM N#Cc1cccc([C@@H](NC(=O)NCc2ccc(C(=O)[O-])cc2)C(F)(F)F)c1 ZINC001594625895 956314316 /nfs/dbraw/zinc/31/43/16/956314316.db2.gz QJCILGGZCBDGCJ-OAHLLOKOSA-N -1 0 377.322 3.359 20 30 GGEDRM N#Cc1cccc([C@H](NC(=O)N[C@H](C(=O)[O-])c2ccc(F)cc2)C(F)(F)F)c1 ZINC001594626347 956317212 /nfs/dbraw/zinc/31/72/12/956317212.db2.gz XCJRFNJSBVNARQ-GJZGRUSLSA-N -1 0 395.312 3.426 20 30 GGEDRM N#Cc1ccsc1N1CC[C@@H](N2CCC(c3ccccc3C(=O)[O-])CC2)C1=O ZINC001594631558 956343252 /nfs/dbraw/zinc/34/32/52/956343252.db2.gz IEDUAJUCBMWKSE-GOSISDBHSA-N -1 0 395.484 3.303 20 30 GGEDRM N#Cc1ccccc1Sc1ccc(NC(=O)N2CCO[C@H](C(=O)[O-])C2)cc1 ZINC001594631733 956345159 /nfs/dbraw/zinc/34/51/59/956345159.db2.gz GTKYZAGXWVACIW-INIZCTEOSA-N -1 0 383.429 3.027 20 30 GGEDRM N#Cc1cccnc1NCc1cccc(C(=O)N2CCCC[C@@H]2CC(=O)[O-])c1 ZINC001594631777 956345759 /nfs/dbraw/zinc/34/57/59/956345759.db2.gz NKDJAYSSMXHQAP-GOSISDBHSA-N -1 0 378.432 3.035 20 30 GGEDRM N#Cc1cccnc1OC1CCC(NC(=O)Nc2ccccc2C(=O)[O-])CC1 ZINC001594631902 956348512 /nfs/dbraw/zinc/34/85/12/956348512.db2.gz QUULSNYHYICIDT-UHFFFAOYSA-N -1 0 380.404 3.163 20 30 GGEDRM C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1C[C@H](CCC(=O)[O-])Cc2ccccc21 ZINC001589168080 956438938 /nfs/dbraw/zinc/43/89/38/956438938.db2.gz UMWWWIKWXWUQEB-NVXWUHKLSA-N -1 0 378.428 3.396 20 30 GGEDRM CC1(C(=O)N2CCC[C@H](C(=O)[O-])C2)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC001589181543 956525856 /nfs/dbraw/zinc/52/58/56/956525856.db2.gz LSTWQVQGSAXFOD-AWEZNQCLSA-N -1 0 389.883 3.141 20 30 GGEDRM COC[C@]1(C(=O)[O-])CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)C1 ZINC001593964231 956527581 /nfs/dbraw/zinc/52/75/81/956527581.db2.gz GXUYJVUJVHIAFL-UGKGYDQZSA-N -1 0 393.443 3.297 20 30 GGEDRM COC[C@@]1(C(=O)[O-])CCN(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)C1 ZINC001593966117 956540220 /nfs/dbraw/zinc/54/02/20/956540220.db2.gz YVNPTVZSNSJKSH-JOCHJYFZSA-N -1 0 394.427 3.108 20 30 GGEDRM C=CCOCCCC(=O)N1CC[C@@H](C(=O)[O-])c2cc(Br)ccc21 ZINC000902327335 956704743 /nfs/dbraw/zinc/70/47/43/956704743.db2.gz SYCBMZNYVBMRFK-CYBMUJFWSA-N -1 0 382.254 3.337 20 30 GGEDRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)N[C@H](C#N)c1ccc(OCc2ccccc2)cc1 ZINC001589213256 956712941 /nfs/dbraw/zinc/71/29/41/956712941.db2.gz QQPDTILJCYIAIG-GCJKJVERSA-N -1 0 378.428 3.447 20 30 GGEDRM CC1(C)C[C@]1(C(=O)[O-])C(=O)N[C@H](C#N)c1ccc(OCc2ccccc2)cc1 ZINC001589213258 956713076 /nfs/dbraw/zinc/71/30/76/956713076.db2.gz QQPDTILJCYIAIG-XMSQKQJNSA-N -1 0 378.428 3.447 20 30 GGEDRM N#Cc1cnc2ccccc2c1N1CCN(Cc2ccc(C(=O)[O-])s2)CC1 ZINC000903670931 956851897 /nfs/dbraw/zinc/85/18/97/956851897.db2.gz UCUPCQPONFBJDR-UHFFFAOYSA-N -1 0 378.457 3.188 20 30 GGEDRM O=C([O-])c1ccc(/C=C/C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 ZINC000006432200 956876638 /nfs/dbraw/zinc/87/66/38/956876638.db2.gz GTELGJIVALTESK-AWNIVKPZSA-N -1 0 399.468 3.456 20 30 GGEDRM C=CCn1c(=O)c2ccccc2nc1SCC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000013355167 957037584 /nfs/dbraw/zinc/03/75/84/957037584.db2.gz BONAMSDWKRZHHV-UHFFFAOYSA-N -1 0 395.440 3.012 20 30 GGEDRM Cc1cc(C(=O)[O-])cc(C(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)c1 ZINC001594281868 957753607 /nfs/dbraw/zinc/75/36/07/957753607.db2.gz FVRCGNKHZAHCPJ-UHFFFAOYSA-N -1 0 382.391 3.388 20 30 GGEDRM COc1cc(C#N)ccc1OCCCC(=O)N1CCCc2cc(C(=O)[O-])ccc21 ZINC001594049417 957966830 /nfs/dbraw/zinc/96/68/30/957966830.db2.gz SBFSZIRTQXLQPZ-UHFFFAOYSA-N -1 0 394.427 3.403 20 30 GGEDRM COc1cc(C(=O)Nc2cc(C(=O)[O-])ccc2Br)ccc1C#N ZINC001594050406 957979924 /nfs/dbraw/zinc/97/99/24/957979924.db2.gz AZBXXVCPTXIQET-UHFFFAOYSA-N -1 0 375.178 3.280 20 30 GGEDRM COc1cc([C@H](C)NC(=O)[C@@](C)(C#N)CC(=O)[O-])ccc1OCCC(C)C ZINC001594053305 958006616 /nfs/dbraw/zinc/00/66/16/958006616.db2.gz XKMCDRCVRTUYKW-VBKZILBWSA-N -1 0 376.453 3.302 20 30 GGEDRM C#CC[C@@]1(C(=O)Nc2ccc(C(=O)[O-])c(C)c2)CCCN1C(=O)OC(C)(C)C ZINC001588391345 958022039 /nfs/dbraw/zinc/02/20/39/958022039.db2.gz FZQLHWZYGVGLJR-NRFANRHFSA-N -1 0 386.448 3.425 20 30 GGEDRM C#CCN(CC(=O)[O-])C(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC001588408657 958115057 /nfs/dbraw/zinc/11/50/57/958115057.db2.gz XHKLNIXZRBTTCS-SFHVURJKSA-N -1 0 375.428 3.029 20 30 GGEDRM C#CCN(CC(=O)[O-])C(=O)N[C@@H](CC(F)(F)F)c1cccc(C(F)(F)F)c1 ZINC001588409338 958126482 /nfs/dbraw/zinc/12/64/82/958126482.db2.gz FTZHCOFCLSVFJI-LBPRGKRZSA-N -1 0 396.287 3.428 20 30 GGEDRM C#CCN(CC(=O)[O-])C(=O)N[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F ZINC001588409391 958128207 /nfs/dbraw/zinc/12/82/07/958128207.db2.gz GHQPRJHEJXIIIG-LBPRGKRZSA-N -1 0 382.260 3.038 20 30 GGEDRM C#CCN(CC(=O)[O-])C(=O)N[C@H](C)c1ccc(OCc2ccccc2)c(OC)c1 ZINC001588409602 958129132 /nfs/dbraw/zinc/12/91/32/958129132.db2.gz HKFDMAXSFMUDOX-MRXNPFEDSA-N -1 0 396.443 3.065 20 30 GGEDRM C#CCN(CC(=O)[O-])C(=O)Nc1ccc2ccn(Cc3cccc(OC)c3)c2c1 ZINC001588413148 958156116 /nfs/dbraw/zinc/15/61/16/958156116.db2.gz SFTSUTWTQDNAJK-UHFFFAOYSA-N -1 0 391.427 3.250 20 30 GGEDRM C#CCN(CC(=O)[O-])C(=O)Nc1cccc(OCc2ccccc2OC)c1C ZINC001588413055 958156276 /nfs/dbraw/zinc/15/62/76/958156276.db2.gz QINFDVYMIJJCTP-UHFFFAOYSA-N -1 0 382.416 3.134 20 30 GGEDRM C#CCN(CC(=O)[O-])C(=O)Nc1ccc(OC(F)F)c(Cc2ccccc2)c1 ZINC001588413144 958156288 /nfs/dbraw/zinc/15/62/88/958156288.db2.gz SBJYWXINRJCWKW-UHFFFAOYSA-N -1 0 388.370 3.431 20 30 GGEDRM C#CCN(CC(=O)[O-])C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)nc1 ZINC001588413116 958156494 /nfs/dbraw/zinc/15/64/94/958156494.db2.gz RQZAMZXPWSHHGE-UHFFFAOYSA-N -1 0 393.321 3.444 20 30 GGEDRM COc1cc(OC)cc(Oc2ccc(CNC(=O)[C@@](C)(C#N)CC(=O)[O-])cc2)c1 ZINC001594068505 958162667 /nfs/dbraw/zinc/16/26/67/958162667.db2.gz IIBZKTVBLBJQAM-OAQYLSRUSA-N -1 0 398.415 3.117 20 30 GGEDRM COc1cc(OC)cc(Oc2ccc(CNC(=O)[C@](C)(C#N)CC(=O)[O-])cc2)c1 ZINC001594068504 958162700 /nfs/dbraw/zinc/16/27/00/958162700.db2.gz IIBZKTVBLBJQAM-NRFANRHFSA-N -1 0 398.415 3.117 20 30 GGEDRM C#CCN(CC(=O)[O-])C(=O)c1cn(-c2ccccc2)nc1-c1ccc(CC)cc1 ZINC001588419017 958189997 /nfs/dbraw/zinc/18/99/97/958189997.db2.gz MIDJQNXQMZKSGU-UHFFFAOYSA-N -1 0 387.439 3.262 20 30 GGEDRM Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2C[C@H](C(=O)[O-])C[C@H](C)C2)cc1C ZINC001594337584 958279464 /nfs/dbraw/zinc/27/94/64/958279464.db2.gz LQWBEBUYLHGAHT-KBXCAEBGSA-N -1 0 394.475 3.263 20 30 GGEDRM Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCC(C)(C(=O)[O-])CC2)cc1C ZINC001594337614 958280101 /nfs/dbraw/zinc/28/01/01/958280101.db2.gz MWUVONSZVGBXLH-UHFFFAOYSA-N -1 0 394.475 3.408 20 30 GGEDRM Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cncc(C(=O)[O-])c2)cc1C ZINC001594338253 958284529 /nfs/dbraw/zinc/28/45/29/958284529.db2.gz ZOEAZTFYKHXQRV-UHFFFAOYSA-N -1 0 389.415 3.426 20 30 GGEDRM C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-] ZINC001588445884 958376439 /nfs/dbraw/zinc/37/64/39/958376439.db2.gz UTCUQAGPIPAVQI-QWHCGFSZSA-N -1 0 390.908 3.418 20 30 GGEDRM C#CCN(CC(=O)[O-])C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC001573317427 958449602 /nfs/dbraw/zinc/44/96/02/958449602.db2.gz HHNLLFXBBQKPML-LBPRGKRZSA-N -1 0 382.260 3.038 20 30 GGEDRM C=CC[C@@]1(C(=O)N2CCC(CCC(=O)[O-])CC2)CCCN1C(=O)OC(C)(C)C ZINC001588458784 958465514 /nfs/dbraw/zinc/46/55/14/958465514.db2.gz YYCXUWGQNWHNNA-NRFANRHFSA-N -1 0 394.512 3.436 20 30 GGEDRM C#CCN(CC(=O)[O-])C(=O)C1(c2ccccc2Br)CCCCC1 ZINC001573318503 958466179 /nfs/dbraw/zinc/46/61/79/958466179.db2.gz PCKKYWSKJFIZPK-UHFFFAOYSA-N -1 0 378.266 3.197 20 30 GGEDRM C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001588458852 958467642 /nfs/dbraw/zinc/46/76/42/958467642.db2.gz VOWNKDOKUXFRPZ-IRXDYDNUSA-N -1 0 390.480 3.048 20 30 GGEDRM C#C[C@@H](NC(=O)NCC(CC)(CC)C(=O)[O-])c1ccc(Br)cc1 ZINC001573318673 958467731 /nfs/dbraw/zinc/46/77/31/958467731.db2.gz QFMXQVFRWOFSOC-CQSZACIVSA-N -1 0 381.270 3.314 20 30 GGEDRM C#CCN(CC(=O)[O-])C(=O)c1cc2c(C)nn(-c3ccccc3Cl)c2s1 ZINC001573319844 958475454 /nfs/dbraw/zinc/47/54/54/958475454.db2.gz GBZFYCMOQTVHTG-UHFFFAOYSA-N -1 0 387.848 3.209 20 30 GGEDRM C=CCN(C(=O)/C=C\c1ccc(C(=O)[O-])o1)[C@H](Cc1ccccc1)C(=O)OCC ZINC001588460860 958480026 /nfs/dbraw/zinc/48/00/26/958480026.db2.gz XORRQUSYZRGZNY-FWFZHJKVSA-N -1 0 397.427 3.180 20 30 GGEDRM C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C(=O)[O-])c1cccc(C)c1 ZINC001573328336 958497901 /nfs/dbraw/zinc/49/79/01/958497901.db2.gz GUSGEYROVBOYOL-IAGOWNOFSA-N -1 0 390.480 3.487 20 30 GGEDRM C=CC[C@@]1(C(=O)Nc2ccc(O)c(C(=O)[O-])c2)CCCN1C(=O)OC(C)(C)C ZINC001573328823 958503078 /nfs/dbraw/zinc/50/30/78/958503078.db2.gz PBTKEYQZVVGJHI-FQEVSTJZSA-N -1 0 390.436 3.375 20 30 GGEDRM C=CC[C@]1(C(=O)Nc2ccc(O)c(C(=O)[O-])c2)CCCN1C(=O)OC(C)(C)C ZINC001573328825 958503416 /nfs/dbraw/zinc/50/34/16/958503416.db2.gz PBTKEYQZVVGJHI-HXUWFJFHSA-N -1 0 390.436 3.375 20 30 GGEDRM C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(C(=O)[O-])CCCCCC1 ZINC001573329437 958508614 /nfs/dbraw/zinc/50/86/14/958508614.db2.gz FZLVGBWVOWPDJY-ZDUSSCGKSA-N -1 0 388.892 3.316 20 30 GGEDRM C=CCOc1ccccc1CN(C(=O)[C@H](C)C(=O)[O-])c1ccc2c(c1)OCO2 ZINC001588469396 958515678 /nfs/dbraw/zinc/51/56/78/958515678.db2.gz DKRXPYKNFNZNPL-AWEZNQCLSA-N -1 0 383.400 3.234 20 30 GGEDRM C=CCc1ccc(OC(=O)C2=NN(c3ccccc3)[C@H](C(=O)[O-])C2)c(OC)c1 ZINC001573336664 958520200 /nfs/dbraw/zinc/52/02/00/958520200.db2.gz GMOOGPZEEHAUHU-KRWDZBQOSA-N -1 0 380.400 3.049 20 30 GGEDRM C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)c1coc(/C=C\C(=O)[O-])c1 ZINC001573337216 958522533 /nfs/dbraw/zinc/52/25/33/958522533.db2.gz LZZQPNLCZLOPGA-SREVYHEPSA-N -1 0 386.356 3.120 20 30 GGEDRM C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)c1cc(C)cc(C(=O)[O-])c1 ZINC001573337803 958525327 /nfs/dbraw/zinc/52/53/27/958525327.db2.gz VFXVGJKTTANTMY-UHFFFAOYSA-N -1 0 384.384 3.436 20 30 GGEDRM C=CCOc1ccccc1CN(C(=O)[C@H](C)C(=O)[O-])c1ccc2c(c1)OCCO2 ZINC001573337953 958527533 /nfs/dbraw/zinc/52/75/33/958527533.db2.gz ZEABXOIMMCJPEX-HNNXBMFYSA-N -1 0 397.427 3.277 20 30 GGEDRM C=CCn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@H](C(=O)[O-])C1 ZINC001588471805 958536967 /nfs/dbraw/zinc/53/69/67/958536967.db2.gz DETKBWNBMUUPPO-LBPRGKRZSA-N -1 0 378.885 3.321 20 30 GGEDRM CC(C)(C)CC[C@H](NC(=O)COc1ccc(C#N)c(Br)c1)C(=O)[O-] ZINC001573396256 958720595 /nfs/dbraw/zinc/72/05/95/958720595.db2.gz WJMKJWBAHGJTLR-AWEZNQCLSA-N -1 0 397.269 3.095 20 30 GGEDRM CC(C)(C)CC[C@@H](NC(=O)COc1ccc(C#N)c(Br)c1)C(=O)[O-] ZINC001573396263 958720887 /nfs/dbraw/zinc/72/08/87/958720887.db2.gz WJMKJWBAHGJTLR-CQSZACIVSA-N -1 0 397.269 3.095 20 30 GGEDRM CC(C)(C)CC[C@@H](NC(=O)c1cnn(CCC#N)c1-c1ccccc1)C(=O)[O-] ZINC001573423940 958784474 /nfs/dbraw/zinc/78/44/74/958784474.db2.gz FOPAXGLSBWRSSC-QGZVFWFLSA-N -1 0 382.464 3.473 20 30 GGEDRM CC(C)(C)CC[C@H](NC(=O)c1cnn(CCC#N)c1-c1ccccc1)C(=O)[O-] ZINC001573423937 958785440 /nfs/dbraw/zinc/78/54/40/958785440.db2.gz FOPAXGLSBWRSSC-KRWDZBQOSA-N -1 0 382.464 3.473 20 30 GGEDRM Cc1cccc(N(CCC#N)C(=O)CN2Cc3ccccc3[C@@H](C(=O)[O-])C2)c1C ZINC001594404724 958893005 /nfs/dbraw/zinc/89/30/05/958893005.db2.gz BJFCESMQRVOACN-FQEVSTJZSA-N -1 0 391.471 3.234 20 30 GGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@H]1CCCCc2cc(Br)ccc21 ZINC001588538178 958939059 /nfs/dbraw/zinc/93/90/59/958939059.db2.gz DQFCXJUSAFQBRQ-YOEHRIQHSA-N -1 0 379.254 3.337 20 30 GGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1nc2c(cccc2OCC(F)(F)F)s1 ZINC001588540255 958959582 /nfs/dbraw/zinc/95/95/82/958959582.db2.gz UJIZGFFZKJJOSN-CQSZACIVSA-N -1 0 387.339 3.180 20 30 GGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)NCc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC001588542006 958967835 /nfs/dbraw/zinc/96/78/35/958967835.db2.gz QCSCATDCYLTFAF-INIZCTEOSA-N -1 0 397.378 3.450 20 30 GGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1cc(OC(F)(F)F)ccc1Br ZINC001588542329 958970735 /nfs/dbraw/zinc/97/07/35/958970735.db2.gz XKWXCMKURFYXCC-LBPRGKRZSA-N -1 0 395.131 3.291 20 30 GGEDRM CC(C)COc1cc(NC(=O)[C@](C)(C#N)CC(=O)[O-])ccc1Br ZINC001573522622 959128931 /nfs/dbraw/zinc/12/89/31/959128931.db2.gz MGPIZGFQSDHVTR-INIZCTEOSA-N -1 0 383.242 3.427 20 30 GGEDRM CC(C)C[C@H](NC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)C(=O)[O-] ZINC001573537019 959179171 /nfs/dbraw/zinc/17/91/71/959179171.db2.gz MOXNZNGKBBWVNQ-ZDUSSCGKSA-N -1 0 375.816 3.018 20 30 GGEDRM C[C@H](CC#N)Sc1ccccc1NC(=O)CN1C[C@@H](C(=O)[O-])CC[C@H]1C ZINC001573577631 959338243 /nfs/dbraw/zinc/33/82/43/959338243.db2.gz XRPJHIPPAZNIIF-KFWWJZLASA-N -1 0 375.494 3.204 20 30 GGEDRM C=CCN(Cc1cccc(C#N)c1)S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1F ZINC000184962953 959480481 /nfs/dbraw/zinc/48/04/81/959480481.db2.gz OMHFNYHGECXSOH-UHFFFAOYSA-N -1 0 388.420 3.081 20 30 GGEDRM Cc1c(C)n(-c2ccccc2)c(NC(=O)CN2CCC(C)(C(=O)[O-])CC2)c1C#N ZINC001594252903 959627657 /nfs/dbraw/zinc/62/76/57/959627657.db2.gz JMPAOQRJBLVEJF-UHFFFAOYSA-N -1 0 394.475 3.091 20 30 GGEDRM Cc1c2cc(C#N)ccc2sc1C(=O)NC[C@H]1CCC2(CC(C(=O)[O-])C2)O1 ZINC001594256858 959659132 /nfs/dbraw/zinc/65/91/32/959659132.db2.gz RHLPCJMXMJTHQS-LQZXRHCMSA-N -1 0 384.457 3.224 20 30 GGEDRM C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1scc(-c2cnn(C)c2)c1C(=O)[O-] ZINC001603276076 972495041 /nfs/dbraw/zinc/49/50/41/972495041.db2.gz CFEWWSOSUIDINF-LLVKDONJSA-N -1 0 396.428 3.124 20 30 GGEDRM C[C@H]1O[C@@H](C)Cc2c(C(=O)[O-])c(NC(=O)CC3(C#N)CCOCC3)sc21 ZINC001573746262 960495083 /nfs/dbraw/zinc/49/50/83/960495083.db2.gz JDQWFXYEQUXGAK-WDEREUQCSA-N -1 0 378.450 3.117 20 30 GGEDRM CSc1nc(C2CC2)cc(C(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c1C#N ZINC001574257209 960539464 /nfs/dbraw/zinc/53/94/64/960539464.db2.gz CSWVPLQBNGSZOX-NZVBXONLSA-N -1 0 387.505 3.418 20 30 GGEDRM CSc1ccc(CNC(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)cc1C#N ZINC001574257653 960547086 /nfs/dbraw/zinc/54/70/86/960547086.db2.gz SYOVSZMIZJSLTP-SJORKVTESA-N -1 0 381.457 3.393 20 30 GGEDRM N#CC1(NS(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)CCCCC1 ZINC001192442915 960560835 /nfs/dbraw/zinc/56/08/35/960560835.db2.gz IYBLTRZPHQYPML-UHFFFAOYSA-N -1 0 377.249 3.196 20 30 GGEDRM CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC001588706965 960856483 /nfs/dbraw/zinc/85/64/83/960856483.db2.gz VPABPHXQOFNPCB-HNNXBMFYSA-N -1 0 375.425 3.301 20 30 GGEDRM CC(C)(C)OC(=O)Nc1ccc2c(c1)CC[C@@H]2NC(=O)[C@](C)(C#N)CC(=O)[O-] ZINC001588726239 961050851 /nfs/dbraw/zinc/05/08/51/961050851.db2.gz QBJCHRXJHRSUKJ-YWZLYKJASA-N -1 0 387.436 3.142 20 30 GGEDRM CC(C)(C)OC(=O)Nc1ccc2c(c1)CC[C@H]2NC(=O)[C@@](C)(C#N)CC(=O)[O-] ZINC001588726236 961052196 /nfs/dbraw/zinc/05/21/96/961052196.db2.gz QBJCHRXJHRSUKJ-FOIQADDNSA-N -1 0 387.436 3.142 20 30 GGEDRM CC(C)(C)OC(=O)c1c(F)ccc(NC(=O)[C@](C)(C#N)CC(=O)[O-])c1Cl ZINC001588726602 961060643 /nfs/dbraw/zinc/06/06/43/961060643.db2.gz GVRQYBYHMZPHAE-KRWDZBQOSA-N -1 0 384.791 3.377 20 30 GGEDRM CCCOc1ccccc1Oc1ncccc1CNC(=O)[C@@](C)(C#N)CC(=O)[O-] ZINC001573862408 961177666 /nfs/dbraw/zinc/17/76/66/961177666.db2.gz REKXXIXCZWLPFU-OAQYLSRUSA-N -1 0 397.431 3.283 20 30 GGEDRM CC(C)(C)c1csc(NC(=O)NC[C@@H]2CCC3(CC(C(=O)[O-])C3)O2)c1C#N ZINC001588746646 961180382 /nfs/dbraw/zinc/18/03/82/961180382.db2.gz IOAGCFJOLUEOEF-WZEQGRABSA-N -1 0 391.493 3.451 20 30 GGEDRM CCOC(=O)c1sc(NC(=O)c2ccc(F)c(C#N)c2)c(C(=O)[O-])c1C ZINC001573907777 961464861 /nfs/dbraw/zinc/46/48/61/961464861.db2.gz JGJCDFWHHOTZAQ-UHFFFAOYSA-N -1 0 376.365 3.195 20 30 GGEDRM N#C[C@H](NC(=O)/C=C/c1ccc(C(=O)[O-])o1)c1ccc(Br)cc1 ZINC001574473795 961634356 /nfs/dbraw/zinc/63/43/56/961634356.db2.gz CUANOHXFDXDANL-CFNZNRNTSA-N -1 0 375.178 3.135 20 30 GGEDRM N#C[C@@H](NC(=O)c1coc(/C=C\C(=O)[O-])c1)c1cccc(Br)c1 ZINC001574473971 961635076 /nfs/dbraw/zinc/63/50/76/961635076.db2.gz GYYROJITAPEDPE-ZRUQZJFASA-N -1 0 375.178 3.135 20 30 GGEDRM N#C[C@@H](NC(=O)/C=C/c1ccc(C(=O)[O-])o1)c1cccc(Br)c1 ZINC001574474464 961639640 /nfs/dbraw/zinc/63/96/40/961639640.db2.gz OQSFPJWNMUKFSF-VUDGCMKMSA-N -1 0 375.178 3.135 20 30 GGEDRM N#C[C@@H](NC(=O)/C=C\c1ccc(C(=O)[O-])o1)c1cccc(Br)c1 ZINC001574474462 961640042 /nfs/dbraw/zinc/64/00/42/961640042.db2.gz OQSFPJWNMUKFSF-SCXUMTSISA-N -1 0 375.178 3.135 20 30 GGEDRM N#Cc1c2c(sc1NC(=O)C1=NN(c3ccccc3)[C@@H](C(=O)[O-])C1)CCCC2 ZINC001574479087 961646532 /nfs/dbraw/zinc/64/65/32/961646532.db2.gz CNHYXHDGGVSGGF-MRXNPFEDSA-N -1 0 394.456 3.157 20 30 GGEDRM N#Cc1ccc(CN(CC(F)(F)F)C(=O)Cc2ccccc2C(=O)[O-])cc1 ZINC001574485671 961678347 /nfs/dbraw/zinc/67/83/47/961678347.db2.gz JVVVRVLZJWPVTG-UHFFFAOYSA-N -1 0 376.334 3.390 20 30 GGEDRM N#Cc1cccc(COc2ccc(NC(=O)[C@H]3CO[C@@H](CCC(=O)[O-])C3)cc2)c1 ZINC001574489553 961704524 /nfs/dbraw/zinc/70/45/24/961704524.db2.gz JMSVUPJQDPDQSF-XLIONFOSSA-N -1 0 394.427 3.346 20 30 GGEDRM N#Cc1cccc([C@@H](NC(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])C(F)(F)F)c1 ZINC001574489619 961706103 /nfs/dbraw/zinc/70/61/03/961706103.db2.gz LRILRTSJGSEKDY-JKSUJKDBSA-N -1 0 391.349 3.157 20 30 GGEDRM N#Cc1cccnc1NCc1cccc(C(=O)N2CCCC[C@H]2CCC(=O)[O-])c1 ZINC001574493141 961719334 /nfs/dbraw/zinc/71/93/34/961719334.db2.gz KSJJPCWEBAUNQG-IBGZPJMESA-N -1 0 392.459 3.425 20 30 GGEDRM C=CCOC[C@@H](NC(=O)c1cnn(-c2cccc(Cl)c2)c1C(C)C)C(=O)[O-] ZINC000262916806 961998995 /nfs/dbraw/zinc/99/89/95/961998995.db2.gz FWUGJNNCJAJCMQ-MRXNPFEDSA-N -1 0 391.855 3.035 20 30 GGEDRM CCCc1c(NC(=O)NC2CCC(C(=O)[O-])CC2)cnn1-c1cccc(C#N)c1 ZINC000262973118 962059833 /nfs/dbraw/zinc/05/98/33/962059833.db2.gz ARXVVYMIOCNLNY-UHFFFAOYSA-N -1 0 395.463 3.461 20 30 GGEDRM C=CCOC[C@H](NC(=O)c1ccccc1SCc1csc(C)n1)C(=O)[O-] ZINC000262994288 962086610 /nfs/dbraw/zinc/08/66/10/962086610.db2.gz LPRTXXLZRKRCHZ-HNNXBMFYSA-N -1 0 392.502 3.129 20 30 GGEDRM CC(C)C[C@H](CNC(=O)Cc1ccc(Br)cc1C#N)CC(=O)[O-] ZINC001588888375 962198083 /nfs/dbraw/zinc/19/80/83/962198083.db2.gz ZQUUCDVRUMYLFH-LBPRGKRZSA-N -1 0 381.270 3.116 20 30 GGEDRM C=CCOC[C@@H](NC(=O)c1sc2nc(C(F)(F)F)ccc2c1C)C(=O)[O-] ZINC000263071394 962212269 /nfs/dbraw/zinc/21/22/69/962212269.db2.gz RJVYIZODWUFFJH-SNVBAGLBSA-N -1 0 388.367 3.009 20 30 GGEDRM CC(C)C[C@H](CNC(=O)c1cnn(CCC#N)c1-c1ccccc1)CC(=O)[O-] ZINC001588895094 962235872 /nfs/dbraw/zinc/23/58/72/962235872.db2.gz ZVVGYNNFHXAAHN-INIZCTEOSA-N -1 0 382.464 3.331 20 30 GGEDRM CCCc1c(NC(=O)N2CC[C@](C)(C(=O)[O-])C2)cnn1-c1cccc(C#N)c1 ZINC000263089029 962236384 /nfs/dbraw/zinc/23/63/84/962236384.db2.gz SGCFULMWUGBGGO-FQEVSTJZSA-N -1 0 381.436 3.025 20 30 GGEDRM CO[C@@H](C(=O)[O-])C(=O)Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 ZINC001574106687 962448175 /nfs/dbraw/zinc/44/81/75/962448175.db2.gz XLSAHNZOQLVCHI-MRVPVSSYSA-N -1 0 377.212 3.014 20 30 GGEDRM CC(C)Oc1ccc(NC(=O)C2=NN(c3ccccc3)[C@H](C(=O)[O-])C2)cc1C#N ZINC001588938050 962513516 /nfs/dbraw/zinc/51/35/16/962513516.db2.gz IFMQUYQDUYRQJF-SFHVURJKSA-N -1 0 392.415 3.003 20 30 GGEDRM C#CCCOc1ccc(C(=O)N[C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)cc1 ZINC001573301579 962629833 /nfs/dbraw/zinc/62/98/33/962629833.db2.gz GTRMEUSAXUXICM-KRWDZBQOSA-N -1 0 375.783 3.437 20 30 GGEDRM C#CCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H](C(=O)[O-])C1 ZINC001573301529 962630012 /nfs/dbraw/zinc/63/00/12/962630012.db2.gz FVEMRLGSCUPIGD-ZDUSSCGKSA-N -1 0 390.846 3.452 20 30 GGEDRM C#C[C@@H](NC(=O)NCCOc1ccc(C(=O)[O-])cc1)c1ccc(Cl)cc1F ZINC001573301531 962630601 /nfs/dbraw/zinc/63/06/01/962630601.db2.gz ALEJPKBWIVFSMC-QGZVFWFLSA-N -1 0 390.798 3.230 20 30 GGEDRM C#CCCCCNC(=O)N1C[C@@H](c2ccc(Br)cc2)[C@H](C(=O)[O-])C1 ZINC001573301866 962638483 /nfs/dbraw/zinc/63/84/83/962638483.db2.gz KWCGLAWZYTZNDD-JKSUJKDBSA-N -1 0 393.281 3.062 20 30 GGEDRM C#C[C@@H](NS(=O)(=O)c1ccc(C)c(C(=O)[O-])c1)c1ccc(Cl)cc1F ZINC001573301932 962639482 /nfs/dbraw/zinc/63/94/82/962639482.db2.gz HCJAQDHWHDXFRX-MRXNPFEDSA-N -1 0 381.812 3.139 20 30 GGEDRM C#CCCOc1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2OCCOC)cc1 ZINC001573302578 962657215 /nfs/dbraw/zinc/65/72/15/962657215.db2.gz YCPULHCOLABJSK-UHFFFAOYSA-N -1 0 383.400 3.064 20 30 GGEDRM C#CC[C@]1(C(=O)Nc2ccc(F)c(C(=O)[O-])c2)CCCN1C(=O)OC(C)(C)C ZINC001573302732 962660737 /nfs/dbraw/zinc/66/07/37/962660737.db2.gz DTMWWEPDBJPXQE-HXUWFJFHSA-N -1 0 390.411 3.255 20 30 GGEDRM C#CC[C@H](NC(=O)NCc1ccc(OCCCC(=O)[O-])cc1)c1ccccc1 ZINC001573302809 962662608 /nfs/dbraw/zinc/66/26/08/962662608.db2.gz QLHGDZVZWNVYCA-FQEVSTJZSA-N -1 0 380.444 3.494 20 30 GGEDRM C#CC[C@H](NS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F)c1ccccc1 ZINC001573302850 962664329 /nfs/dbraw/zinc/66/43/29/962664329.db2.gz GTXJBKBGEDJCMS-AWEZNQCLSA-N -1 0 381.812 3.220 20 30 GGEDRM C#CC[C@@]1(C(=O)Nc2cc(C(=O)[O-])sc2C)CCCN1C(=O)OC(C)(C)C ZINC001573303901 962682777 /nfs/dbraw/zinc/68/27/77/962682777.db2.gz UMSAVDJIRBFFRI-IBGZPJMESA-N -1 0 392.477 3.486 20 30 GGEDRM C#CCN(CC)c1nnc(-c2cccc(C)n2)n1Cc1cccc(NC(=O)[O-])c1 ZINC001573311211 962694783 /nfs/dbraw/zinc/69/47/83/962694783.db2.gz JZLJTOJQGINNFM-UHFFFAOYSA-N -1 0 390.447 3.246 20 30 GGEDRM C#CCOc1ccccc1CNC(=O)NCCc1cc2ccc(C(=O)[O-])cc2o1 ZINC001573311619 962707146 /nfs/dbraw/zinc/70/71/46/962707146.db2.gz CVCUKMGSRZJUBP-UHFFFAOYSA-N -1 0 392.411 3.185 20 30 GGEDRM C#C[C@]1(C)CCCN1c1nnc(-c2ccc[nH]2)n1Cc1cccc(NC(=O)[O-])c1 ZINC001573311595 962707409 /nfs/dbraw/zinc/70/74/09/962707409.db2.gz CIGZXWJHNZSPHS-OAQYLSRUSA-N -1 0 390.447 3.404 20 30 GGEDRM C#CCOc1cccc(OS(=O)(=O)c2cccc3c(C(=O)[O-])cccc32)c1 ZINC001573311701 962709950 /nfs/dbraw/zinc/70/99/50/962709950.db2.gz FEUXYYSRFFXLKX-UHFFFAOYSA-N -1 0 382.393 3.318 20 30 GGEDRM C=C(C)C[C@@H](NC(=O)C[C@H](NC(=O)c1ccc(C)cc1)c1ccccc1)C(=O)[O-] ZINC001573319811 962747145 /nfs/dbraw/zinc/74/71/45/962747145.db2.gz ATENHYXXOZPQAE-VQTJNVASSA-N -1 0 394.471 3.392 20 30 GGEDRM C=C(C)C[C@@H](NC(=O)c1cc(-c2ccc(Br)cc2)no1)C(=O)[O-] ZINC001573321166 962754826 /nfs/dbraw/zinc/75/48/26/962754826.db2.gz JKFZFNIWDZIYDK-CYBMUJFWSA-N -1 0 379.210 3.253 20 30 GGEDRM C=C(C)C[C@H](NC(=O)c1cc(C)nc2cc(Br)ccc21)C(=O)[O-] ZINC001573321307 962756734 /nfs/dbraw/zinc/75/67/34/962756734.db2.gz LGJYGZIRYZKYER-HNNXBMFYSA-N -1 0 377.238 3.455 20 30 GGEDRM C=C(C)C[C@@H](NC(=O)CCCC(=O)c1ccc(Br)cc1)C(=O)[O-] ZINC001573321524 962758764 /nfs/dbraw/zinc/75/87/64/962758764.db2.gz NWBWUOWWJQHCTN-CQSZACIVSA-N -1 0 382.254 3.338 20 30 GGEDRM C=C(C)C[C@H](NC(=O)c1cc(-c2cccc(Br)c2)no1)C(=O)[O-] ZINC001573321556 962760484 /nfs/dbraw/zinc/76/04/84/962760484.db2.gz OTIFQKZWQJVPFU-ZDUSSCGKSA-N -1 0 379.210 3.253 20 30 GGEDRM C=C(C)C[C@@H](NC(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1)C(=O)OCC ZINC001573321762 962761910 /nfs/dbraw/zinc/76/19/10/962761910.db2.gz REPKQMQFSBSPOR-CYBMUJFWSA-N -1 0 388.342 3.423 20 30 GGEDRM C=C(C)[C@H](CC(=O)N1Cc2cccc(Br)c2C[C@@H]1C(=O)[O-])OCC ZINC001573321698 962762213 /nfs/dbraw/zinc/76/22/13/962762213.db2.gz QAKSNFXZHPKKQD-CVEARBPZSA-N -1 0 396.281 3.158 20 30 GGEDRM C=C(C)C[C@@H](NC(=O)C1CCN(C(=O)c2cccc3ccccc32)CC1)C(=O)[O-] ZINC001573321908 962763824 /nfs/dbraw/zinc/76/38/24/962763824.db2.gz SGFQFLCXBRMWJT-HXUWFJFHSA-N -1 0 394.471 3.228 20 30 GGEDRM C=C(C)C[C@H](NC(=O)C1CCN(C(=O)c2cccc3ccccc32)CC1)C(=O)[O-] ZINC001573321896 962764378 /nfs/dbraw/zinc/76/43/78/962764378.db2.gz SGFQFLCXBRMWJT-FQEVSTJZSA-N -1 0 394.471 3.228 20 30 GGEDRM C=C(C)[C@H](CC(=O)N[C@@H](C(=O)[O-])c1ccccc1OC(F)(F)F)OCC ZINC001573322356 962767527 /nfs/dbraw/zinc/76/75/27/962767527.db2.gz XELWSIARFWWXAJ-DZGCQCFKSA-N -1 0 375.343 3.198 20 30 GGEDRM C=C(C)C[C@H](NC(=O)c1csc(-c2cnn(-c3ccccc3)c2)n1)C(=O)[O-] ZINC001573324287 962783780 /nfs/dbraw/zinc/78/37/80/962783780.db2.gz PSXVYOMIMNTDQD-HNNXBMFYSA-N -1 0 382.445 3.145 20 30 GGEDRM COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)cc1 ZINC001574176973 962790139 /nfs/dbraw/zinc/79/01/39/962790139.db2.gz AWGSKXLCDUIXOT-CTYIDZIISA-N -1 0 381.388 3.344 20 30 GGEDRM C=C(C)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC(C(=O)[O-])CC1 ZINC001573325129 962792364 /nfs/dbraw/zinc/79/23/64/962792364.db2.gz DJFMAPJWKRMULF-UHFFFAOYSA-N -1 0 393.447 3.477 20 30 GGEDRM C=C(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC(C(=O)[O-])CC1 ZINC001573326347 962802317 /nfs/dbraw/zinc/80/23/17/962802317.db2.gz VHJNUFOVIZMBJD-AWEZNQCLSA-N -1 0 388.443 3.434 20 30 GGEDRM C=CCN(C(=O)CCCC(=O)[O-])c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC001573329080 962812594 /nfs/dbraw/zinc/81/25/94/962812594.db2.gz XGSGYBZNPMRXBY-UHFFFAOYSA-N -1 0 375.406 3.492 20 30 GGEDRM C=CC[C@@]1(C(=O)NCc2ccccc2C(=O)[O-])CCCN1C(=O)OC(C)(C)C ZINC001573329115 962812622 /nfs/dbraw/zinc/81/26/22/962812622.db2.gz ZPBMVKICVWGIDK-NRFANRHFSA-N -1 0 388.464 3.347 20 30 GGEDRM C=C(CCC(=O)[O-])C(=O)N1CCC[C@H]([C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001573331783 962816489 /nfs/dbraw/zinc/81/64/89/962816489.db2.gz ARJCZUDAPWXZRY-IRXDYDNUSA-N -1 0 394.512 3.293 20 30 GGEDRM C=C(CCC(=O)[O-])C(=O)N1CCCC[C@@H]1[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001573331768 962816708 /nfs/dbraw/zinc/81/67/08/962816708.db2.gz AHTDQFWGSFZODZ-HZPDHXFCSA-N -1 0 380.485 3.046 20 30 GGEDRM C=C(CCC(=O)[O-])C(=O)N1CCC([C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001573332727 962841112 /nfs/dbraw/zinc/84/11/12/962841112.db2.gz QYDRGHMTYWZQSY-KRWDZBQOSA-N -1 0 394.512 3.293 20 30 GGEDRM C=C(CCC(=O)[O-])C(=O)N1CCC[C@@H](Nc2cccc(Br)c2)C1 ZINC001573332797 962842339 /nfs/dbraw/zinc/84/23/39/962842339.db2.gz RYXKLTAKOCMXHK-OAHLLOKOSA-N -1 0 381.270 3.273 20 30 GGEDRM C=C(CCC(=O)[O-])C(=O)N1CCC[C@H](Nc2cccc(Br)c2)C1 ZINC001573332796 962843019 /nfs/dbraw/zinc/84/30/19/962843019.db2.gz RYXKLTAKOCMXHK-HNNXBMFYSA-N -1 0 381.270 3.273 20 30 GGEDRM C=C(CCC(=O)[O-])C(=O)N1CCCC[C@@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001573333218 962852844 /nfs/dbraw/zinc/85/28/44/962852844.db2.gz YRGKVHXJESWCIA-CVEARBPZSA-N -1 0 380.485 3.188 20 30 GGEDRM C=C(CCC(=O)[O-])C(=O)N1CCCC[C@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001573333219 962852943 /nfs/dbraw/zinc/85/29/43/962852943.db2.gz YRGKVHXJESWCIA-HOTGVXAUSA-N -1 0 380.485 3.188 20 30 GGEDRM C=C(CCC(=O)[O-])C(=O)Nc1cc(OC)c(NC(=O)c2ccccc2)cc1OC ZINC001573336491 962858902 /nfs/dbraw/zinc/85/89/02/962858902.db2.gz CVSFRYCVDIXEFI-UHFFFAOYSA-N -1 0 398.415 3.316 20 30 GGEDRM C=C(CCC(=O)[O-])C(=O)Nc1ccc(N2CCOC(C)(C)C2)cc1OCC ZINC001573337369 962866055 /nfs/dbraw/zinc/86/60/55/962866055.db2.gz MXDWMPAYELDPNP-UHFFFAOYSA-N -1 0 376.453 3.060 20 30 GGEDRM C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2cc(C(=O)[O-])ccc21 ZINC001573338529 962877523 /nfs/dbraw/zinc/87/75/23/962877523.db2.gz DJYUOCRHJVZQEO-CQSZACIVSA-N -1 0 394.855 3.310 20 30 GGEDRM C=C(Cl)Cn1c(-c2cc3ccccc3o2)nnc1N1CCN(C(=O)[O-])CC1 ZINC001573343177 962901956 /nfs/dbraw/zinc/90/19/56/962901956.db2.gz AWHBWVFGGZFRTI-UHFFFAOYSA-N -1 0 387.827 3.244 20 30 GGEDRM C=C(Cl)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(C(=O)[O-])CC1 ZINC001573343907 962909777 /nfs/dbraw/zinc/90/97/77/962909777.db2.gz LWXGGWMLSOGGJA-UHFFFAOYSA-N -1 0 378.835 3.062 20 30 GGEDRM C=C(Cl)CSc1nc(C)c(CC(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])s1 ZINC001573344083 962911678 /nfs/dbraw/zinc/91/16/78/962911678.db2.gz NLESUIFETBQOIQ-VIFPVBQESA-N -1 0 396.868 3.159 20 30 GGEDRM C=C1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1cc(Br)ccc1C(=O)[O-] ZINC001573344246 962914986 /nfs/dbraw/zinc/91/49/86/962914986.db2.gz PWEUVKPROQEZRF-TXEJJXNPSA-N -1 0 386.267 3.019 20 30 GGEDRM C=C(Cl)CSc1nc(C)c(CC(=O)NCC(C)(C)CC(=O)[O-])s1 ZINC001573344437 962917738 /nfs/dbraw/zinc/91/77/38/962917738.db2.gz YGBCEIICSHAUIG-UHFFFAOYSA-N -1 0 376.931 3.456 20 30 GGEDRM C=C[C@H](CC)CC(=O)N[C@@]1(C(=O)[O-])CCc2cc(Br)ccc2C1 ZINC001573347775 962951132 /nfs/dbraw/zinc/95/11/32/962951132.db2.gz NRKCTTYWSYQSHW-XIKOKIGWSA-N -1 0 380.282 3.480 20 30 GGEDRM C=CC[C@H](Cc1ccccc1)NC(=O)N1CCOc2c(cccc2C(=O)[O-])C1 ZINC001573350473 962969711 /nfs/dbraw/zinc/96/97/11/962969711.db2.gz IMEQRNHEIUONJO-GOSISDBHSA-N -1 0 380.444 3.476 20 30 GGEDRM C=CC[C@@H]1N(C(=O)[C@@H](CCC(=O)[O-])NC(=O)OC(C)(C)C)CCCC1(C)C ZINC001573353418 963000437 /nfs/dbraw/zinc/00/04/37/963000437.db2.gz UYKGWNZYBXEKEL-CABCVRRESA-N -1 0 382.501 3.338 20 30 GGEDRM C=CCCC[C@@H](NC(=O)[C@@H](NC(=O)c1ccccc1)c1ccccc1)C(=O)[O-] ZINC001573356732 963008845 /nfs/dbraw/zinc/00/88/45/963008845.db2.gz GIJOPRRHDRQROH-MOPGFXCFSA-N -1 0 380.444 3.083 20 30 GGEDRM C=CCCC[C@@H](NC(=O)Cc1c[nH]c2cc(Br)ccc12)C(=O)[O-] ZINC001573357014 963012231 /nfs/dbraw/zinc/01/22/31/963012231.db2.gz ISPCWJFNTNMQPP-CQSZACIVSA-N -1 0 379.254 3.399 20 30 GGEDRM C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC001573358452 963027776 /nfs/dbraw/zinc/02/77/76/963027776.db2.gz ZLNIMOHJEMZNOC-MRXNPFEDSA-N -1 0 392.452 3.338 20 30 GGEDRM C=CCCc1ccc(S(=O)(=O)N[C@@H](C)[C@H](Cc2ccccc2)C(=O)[O-])cc1 ZINC001573360064 963031393 /nfs/dbraw/zinc/03/13/93/963031393.db2.gz FRSZZDGGQFHAPH-JXFKEZNVSA-N -1 0 387.501 3.416 20 30 GGEDRM C=CCCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001573360351 963035265 /nfs/dbraw/zinc/03/52/65/963035265.db2.gz MDMZGUJXZAJOEN-OAHLLOKOSA-N -1 0 379.464 3.227 20 30 GGEDRM C=CCCOCCn1c(-c2cccc(Cl)c2)nnc1N1CC[C@H](C(=O)[O-])C1 ZINC001573360394 963036360 /nfs/dbraw/zinc/03/63/60/963036360.db2.gz NMOVJDPBLACINP-HNNXBMFYSA-N -1 0 390.871 3.102 20 30 GGEDRM C=CCCCn1c(CCOc2ccccc2)nnc1N1CCC(C(=O)[O-])CC1 ZINC001573360378 963036880 /nfs/dbraw/zinc/03/68/80/963036880.db2.gz NACMRSUVHPMYKY-UHFFFAOYSA-N -1 0 384.480 3.167 20 30 GGEDRM C=CCCOCCn1c(-c2cccc(Cl)c2)nnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001573360395 963037064 /nfs/dbraw/zinc/03/70/64/963037064.db2.gz NMOVJDPBLACINP-OAHLLOKOSA-N -1 0 390.871 3.102 20 30 GGEDRM C=CCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001573360424 963037477 /nfs/dbraw/zinc/03/74/77/963037477.db2.gz OIAJRQHLIFLANE-LSDHHAIUSA-N -1 0 388.443 3.434 20 30 GGEDRM C=CCCc1ccc(S(=O)(=O)NC[C@@H](Cc2cccc(F)c2)C(=O)[O-])cc1 ZINC001573360456 963038781 /nfs/dbraw/zinc/03/87/81/963038781.db2.gz PFPUTHOFCMKPOM-QGZVFWFLSA-N -1 0 391.464 3.166 20 30 GGEDRM C=CCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001573360742 963042362 /nfs/dbraw/zinc/04/23/62/963042362.db2.gz WPHZVQVKGYSNJJ-MRXNPFEDSA-N -1 0 392.463 3.008 20 30 GGEDRM C=CCCC[C@@H](NC(=O)c1ccn(-c2ccccc2C(F)(F)F)n1)C(=O)[O-] ZINC001573364713 963051193 /nfs/dbraw/zinc/05/11/93/963051193.db2.gz AUBKRJIJLWIOFR-CQSZACIVSA-N -1 0 381.354 3.430 20 30 GGEDRM C=CCCC[C@@H](NC(=O)c1cn(CC)c2ccc(Cl)cc2c1=O)C(=O)[O-] ZINC001573366621 963061466 /nfs/dbraw/zinc/06/14/66/963061466.db2.gz NSMRFUZCAKZNRI-OAHLLOKOSA-N -1 0 376.840 3.214 20 30 GGEDRM C=CCCC[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)C(=O)[O-] ZINC001573367446 963065927 /nfs/dbraw/zinc/06/59/27/963065927.db2.gz WBDFVLZBCILLPI-SNVBAGLBSA-N -1 0 389.177 3.036 20 30 GGEDRM C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccc(CC(=O)[O-])c(F)c2)cc1 ZINC001573367848 963070795 /nfs/dbraw/zinc/07/07/95/963070795.db2.gz CBCLMYPOBQMBIS-UHFFFAOYSA-N -1 0 386.383 3.404 20 30 GGEDRM C=CCN(CCc1ccccc1)C(=O)Nc1ccc(C(=O)NCCC(=O)[O-])cc1 ZINC001573368495 963081845 /nfs/dbraw/zinc/08/18/45/963081845.db2.gz MRJCLHJXYXRJMK-UHFFFAOYSA-N -1 0 395.459 3.154 20 30 GGEDRM C=CCN(c1nnc([C@@H]2CCOC2)n1Cc1cccc(NC(=O)[O-])c1)C1CC1 ZINC001573368578 963083296 /nfs/dbraw/zinc/08/32/96/963083296.db2.gz OLSLCJILJLCNBQ-OAHLLOKOSA-N -1 0 383.452 3.075 20 30 GGEDRM C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC001588439410 964028119 /nfs/dbraw/zinc/02/81/19/964028119.db2.gz BHKUBOMMUNEWQO-UHFFFAOYSA-N -1 0 388.472 3.090 20 30 GGEDRM C#CCCCC(=O)Nc1c2c(sc1C(=O)[O-])CN(C(=O)OC(C)(C)C)C2 ZINC001588440036 964033555 /nfs/dbraw/zinc/03/35/55/964033555.db2.gz LAELGRBSOKEFGH-UHFFFAOYSA-N -1 0 378.450 3.439 20 30 GGEDRM C#CCCCCC(=O)Nc1cc(I)sc1C(=O)[O-] ZINC001588440662 964042407 /nfs/dbraw/zinc/04/24/07/964042407.db2.gz HQTMSKDJCIXOHZ-UHFFFAOYSA-N -1 0 377.203 3.183 20 30 GGEDRM CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)Nc3cccc(C(=O)[O-])c3)C2)C1 ZINC001573433989 964056448 /nfs/dbraw/zinc/05/64/48/964056448.db2.gz GVQZNXVSYBYBCH-FAGJFJLWSA-N -1 0 399.447 3.110 20 30 GGEDRM C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC001588445762 964066683 /nfs/dbraw/zinc/06/66/83/964066683.db2.gz RUCQXQIZTGWYJP-KGLIPLIRSA-N -1 0 388.892 3.126 20 30 GGEDRM C#CCCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@H](C(=O)[O-])C1 ZINC001588446174 964068126 /nfs/dbraw/zinc/06/81/26/964068126.db2.gz CCSWDRTWXCUYHG-INIZCTEOSA-N -1 0 386.883 3.237 20 30 GGEDRM C#CCCCCn1c(CCc2ccccc2)nnc1N1CCC[C@@H](C(=O)[O-])C1 ZINC001588446178 964068560 /nfs/dbraw/zinc/06/85/60/964068560.db2.gz CDFJDINRFXTGBW-LJQANCHMSA-N -1 0 380.492 3.168 20 30 GGEDRM C#CCCCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001588446293 964071145 /nfs/dbraw/zinc/07/11/45/964071145.db2.gz FZIVDFNYBWABCW-MRXNPFEDSA-N -1 0 391.475 3.065 20 30 GGEDRM C#CCCCn1c(CCCc2ccccc2)nnc1N1CCC(C(=O)[O-])CC1 ZINC001588448020 964093226 /nfs/dbraw/zinc/09/32/26/964093226.db2.gz VYOALEAEHVBWPH-UHFFFAOYSA-N -1 0 380.492 3.168 20 30 GGEDRM C#CCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@H](C(=O)[O-])C1 ZINC001588448140 964094133 /nfs/dbraw/zinc/09/41/33/964094133.db2.gz XFZCLZCIDINPFY-INIZCTEOSA-N -1 0 386.883 3.237 20 30 GGEDRM C#CCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@H](C(=O)[O-])C1 ZINC001588448160 964094432 /nfs/dbraw/zinc/09/44/32/964094432.db2.gz XOKIWMCGVRJQRE-SFHVURJKSA-N -1 0 396.491 3.188 20 30 GGEDRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)C1 ZINC000263135035 967852224 /nfs/dbraw/zinc/85/22/24/967852224.db2.gz NOIGUKTVXOEMLU-KGLIPLIRSA-N -1 0 380.404 3.320 20 30 GGEDRM Cc1ccc(C#N)cc1S(=O)(=O)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000615161931 968510098 /nfs/dbraw/zinc/51/00/98/968510098.db2.gz WWBPFYRLNZTQSO-UHFFFAOYSA-N -1 0 384.457 3.133 20 30 GGEDRM C=C(C)COc1cccc(NC(=O)N2C[C@H](C(=O)[O-])C[C@H](c3cnn(C)c3)C2)c1 ZINC000864592221 969332985 /nfs/dbraw/zinc/33/29/85/969332985.db2.gz VEAGTYLPEIWJRS-JKSUJKDBSA-N -1 0 398.463 3.097 20 30 GGEDRM CC[C@]1(C(=O)[O-])CCCN(C(=O)N[C@H](c2cccc(C#N)c2)C(F)(F)F)C1 ZINC000926190710 969658122 /nfs/dbraw/zinc/65/81/22/969658122.db2.gz ZBPLDUKGSYRXAY-PBHICJAKSA-N -1 0 383.370 3.448 20 30 GGEDRM C=CCn1c(-c2ccc(Br)cc2)nnc1N1CCC(C(=O)[O-])CC1 ZINC001573378417 969808870 /nfs/dbraw/zinc/80/88/70/969808870.db2.gz DOPWQJMXCWKOQE-UHFFFAOYSA-N -1 0 391.269 3.195 20 30 GGEDRM CC(C)(C)OC(=O)N[C@@H](CC(=O)[O-])c1noc(-c2ccc(C#N)c(Cl)c2)n1 ZINC001609758621 970521739 /nfs/dbraw/zinc/52/17/39/970521739.db2.gz SNQIQXYJKOUYRH-LBPRGKRZSA-N -1 0 392.799 3.302 20 30 GGEDRM CSc1nn(-c2ccccc2)c(NC(=O)Cc2ccccc2C(=O)[O-])c1C#N ZINC001604979210 972570889 /nfs/dbraw/zinc/57/08/89/972570889.db2.gz RQZPBMHZAQOIBV-UHFFFAOYSA-N -1 0 392.440 3.345 20 30 GGEDRM Cc1c(C)n(C2CCCC2)c(NC(=O)CN2CCC[C@@H](C)[C@H]2C(=O)[O-])c1C#N ZINC001605074430 972699555 /nfs/dbraw/zinc/69/95/55/972699555.db2.gz ORRMFCSVISQXIV-YJYMSZOUSA-N -1 0 386.496 3.215 20 30 GGEDRM COC(=O)[C@@H](c1cccc(C#N)c1)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC001604271704 972829028 /nfs/dbraw/zinc/82/90/28/972829028.db2.gz MUZKAYITBJQQHU-HXUWFJFHSA-N -1 0 378.428 3.350 20 30 GGEDRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)Nc2cccc(Oc3ccc(C#N)cn3)c2)C1 ZINC001603363734 972843609 /nfs/dbraw/zinc/84/36/09/972843609.db2.gz ABPQRAVWCKUVJI-HIFRSBDPSA-N -1 0 380.404 3.320 20 30 GGEDRM C[C@@H]1C[C@@H](c2ccc(Br)cc2)CN1C(=O)[C@](C)(C#N)CC(=O)[O-] ZINC001603380122 972944590 /nfs/dbraw/zinc/94/45/90/972944590.db2.gz JSMHYAQBGOWNDM-NDGTYSDOSA-N -1 0 379.254 3.158 20 30 GGEDRM Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N2Cc3ccccc3[C@H](C(=O)[O-])C2)cc1 ZINC001605284569 973082252 /nfs/dbraw/zinc/08/22/52/973082252.db2.gz JDSFZGWMMSPEAJ-DYESRHJHSA-N -1 0 391.471 3.314 20 30 GGEDRM COC(=O)c1cccc(C#Cc2cccc(NC(=O)C3(C(=O)[O-])CCC3)c2)c1 ZINC001604399842 973131046 /nfs/dbraw/zinc/13/10/46/973131046.db2.gz FGKMFYANGCTSJF-UHFFFAOYSA-N -1 0 377.396 3.066 20 30 GGEDRM Cc1cccc([C@@H](NC(=O)CSc2nc(C)c(C)c(C)c2C#N)C(=O)[O-])c1 ZINC001605329869 973202956 /nfs/dbraw/zinc/20/29/56/973202956.db2.gz ZPDFRJGWNTURNW-GOSISDBHSA-N -1 0 383.473 3.221 20 30 GGEDRM C[C@@H]1CN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)CC[C@H]1C(=O)[O-] ZINC001603450449 973253089 /nfs/dbraw/zinc/25/30/89/973253089.db2.gz GISPUKFPGNEEKS-CXAGYDPISA-N -1 0 380.404 3.320 20 30 GGEDRM Cc1nc(NC(=O)[C@](C)(C#N)CC(=O)[O-])sc1Cc1c(F)cccc1F ZINC001605409005 973412021 /nfs/dbraw/zinc/41/20/21/973412021.db2.gz ZCBQLTHOLBXSPL-KRWDZBQOSA-N -1 0 379.388 3.264 20 30 GGEDRM N#C[C@H](c1ccccc1)c1ccc(NC(=O)NCC2(C(=O)[O-])CCOCC2)cc1 ZINC001605576390 973846207 /nfs/dbraw/zinc/84/62/07/973846207.db2.gz MKCRXOYSZDBUEU-LJQANCHMSA-N -1 0 393.443 3.345 20 30 GGEDRM CC[C@]1(C(=O)[O-])CCCN(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)C1 ZINC001603601128 973849058 /nfs/dbraw/zinc/84/90/58/973849058.db2.gz GBFFEOJTILJWKT-NRFANRHFSA-N -1 0 382.416 3.447 20 30 GGEDRM N#CCCCN1C(=O)CCc2cc(NC(=O)Cc3ccccc3C(=O)[O-])ccc21 ZINC001605582264 973866052 /nfs/dbraw/zinc/86/60/52/973866052.db2.gz XVJCMIUUPAZTAT-UHFFFAOYSA-N -1 0 391.427 3.149 20 30 GGEDRM N#CCOc1cccc(CC(=O)N2C[C@@H](CCC(=O)[O-])Cc3ccccc32)c1 ZINC001605585373 973876321 /nfs/dbraw/zinc/87/63/21/973876321.db2.gz AIFJUSBIQIPNEL-KRWDZBQOSA-N -1 0 378.428 3.202 20 30 GGEDRM N#Cc1cc(Br)ccc1CC(=O)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001605590431 973883473 /nfs/dbraw/zinc/88/34/73/973883473.db2.gz DXYDZVAWKBRLDM-IRXDYDNUSA-N -1 0 399.244 3.293 20 30 GGEDRM N#Cc1cc(Br)ccc1CC(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001605590426 973883579 /nfs/dbraw/zinc/88/35/79/973883579.db2.gz DXYDZVAWKBRLDM-DLBZAZTESA-N -1 0 399.244 3.293 20 30 GGEDRM N#Cc1cc(NC(=O)NCc2ccccc2C(=O)[O-])ccc1OC(F)(F)F ZINC001605597254 973897325 /nfs/dbraw/zinc/89/73/25/973897325.db2.gz JONSWOPZMTXYAH-UHFFFAOYSA-N -1 0 379.294 3.477 20 30 GGEDRM N#Cc1ccc(OC2CCN(C(=O)Nc3cccc(CC(=O)[O-])c3)CC2)c(F)c1 ZINC001605613255 973932487 /nfs/dbraw/zinc/93/24/87/973932487.db2.gz YFARSDYDCMDFNJ-UHFFFAOYSA-N -1 0 397.406 3.400 20 30 GGEDRM N#Cc1cccc(-c2cc(C(=O)Nc3sc4c(c3C(=O)[O-])COCC4)on2)c1 ZINC001605617527 973935071 /nfs/dbraw/zinc/93/50/71/973935071.db2.gz KCOSZYCMBRSOFK-UHFFFAOYSA-N -1 0 395.396 3.298 20 30 GGEDRM N#Cc1cccc(C2(NC(=O)Nc3cccc(CCC(=O)[O-])c3)CCOCC2)c1 ZINC001605617868 973938560 /nfs/dbraw/zinc/93/85/60/973938560.db2.gz ZVLYQWAQFJMNDR-UHFFFAOYSA-N -1 0 393.443 3.403 20 30 GGEDRM N#Cc1ccc(Cc2cnc(NC(=O)NCCC(=O)[O-])s2)c(C(F)(F)F)c1 ZINC000417775096 973968766 /nfs/dbraw/zinc/96/87/66/973968766.db2.gz MFSOBEHSGZOPKZ-UHFFFAOYSA-N -1 0 398.366 3.221 20 30 GGEDRM CCCCCCCCn1nc(C)c(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])c1C ZINC001603640733 973984672 /nfs/dbraw/zinc/98/46/72/973984672.db2.gz QBEODPPULJRYQB-RHSMWYFYSA-N -1 0 399.557 3.487 20 30 GGEDRM CCCCCCCCCC(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC001603640825 973985813 /nfs/dbraw/zinc/98/58/13/973985813.db2.gz SFJKIXXCBGTCAY-HIFRSBDPSA-N -1 0 394.434 3.250 20 30 GGEDRM CCN(C(=O)C1=NN(c2ccccc2)[C@H](C(=O)[O-])C1)c1ccc(C#N)c(Cl)c1 ZINC001603705441 974106908 /nfs/dbraw/zinc/10/69/08/974106908.db2.gz FRIBFIAWMVWWPE-SFHVURJKSA-N -1 0 396.834 3.284 20 30 GGEDRM C[C@](CC(=O)[O-])(NC(=O)CSCc1ccc(C#N)cc1)c1cccc(F)c1 ZINC000449004960 974142921 /nfs/dbraw/zinc/14/29/21/974142921.db2.gz SNBUPEFGHQRXDI-HXUWFJFHSA-N -1 0 386.448 3.437 20 30 GGEDRM Cc1oc(C(=O)[O-])cc1S(=O)(=O)N(Cc1ccco1)c1ccccc1C#N ZINC000467752098 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CC(C)Oc1ccc([C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2C(=O)[O-])cc1 ZINC001591773281 975912615 /nfs/dbraw/zinc/91/26/15/975912615.db2.gz XBJATZSSYYIYLJ-CYBMUJFWSA-N -1 0 388.445 3.083 20 30 GGEDRM CC(C)Oc1ccc(NC(=O)c2cc(C(=O)[O-])nn2-c2ccccc2)cc1C#N ZINC001591787795 975963827 /nfs/dbraw/zinc/96/38/27/975963827.db2.gz BVFBFIUOTWSIMB-UHFFFAOYSA-N -1 0 390.399 3.482 20 30 GGEDRM CC(C)c1ccc2c(c1)[C@H](NS(=O)(=O)c1ccc(C#N)cc1C(=O)[O-])CC2 ZINC001591974267 976585825 /nfs/dbraw/zinc/58/58/25/976585825.db2.gz QKMIUGCYADQVBP-GOSISDBHSA-N -1 0 384.457 3.346 20 30 GGEDRM CC(C)c1nc([C@H]2NC(=S)NC(C(=O)[O-])=C2C(=O)c2cccs2)cs1 ZINC001592015184 976696137 /nfs/dbraw/zinc/69/61/37/976696137.db2.gz JMQIMQDSKAPRQC-LLVKDONJSA-N -1 0 393.515 3.068 20 30 GGEDRM C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cc(C(=O)[O-])co1 ZINC001592225771 977412627 /nfs/dbraw/zinc/41/26/27/977412627.db2.gz NOYBDZITJUKRIT-NSHDSACASA-N -1 0 388.401 3.168 20 30 GGEDRM C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cc(C(=O)[O-])co1 ZINC001592225770 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N#Cc1ccc(CC(=O)N[C@H](CC(=O)[O-])c2ccc(Br)cc2)cc1 ZINC000738432969 978538031 /nfs/dbraw/zinc/53/80/31/978538031.db2.gz UCELYCRHACSDBC-MRXNPFEDSA-N -1 0 387.233 3.195 20 30 GGEDRM C[C@@H](CN(Cc1ccccc1)S(=O)(=O)c1ccc(CCC#N)cc1)C(=O)[O-] ZINC001592609721 978557269 /nfs/dbraw/zinc/55/72/69/978557269.db2.gz KLYLTABMVPAGLI-INIZCTEOSA-N -1 0 386.473 3.054 20 30 GGEDRM C[C@H](CN(Cc1ccccc1)S(=O)(=O)c1ccc(CCC#N)cc1)C(=O)[O-] ZINC001592609722 978557538 /nfs/dbraw/zinc/55/75/38/978557538.db2.gz KLYLTABMVPAGLI-MRXNPFEDSA-N -1 0 386.473 3.054 20 30 GGEDRM N#Cc1ccc(Nc2cccc(C(=O)N(CCC(=O)[O-])C[C@@H]3CCCO3)c2)cc1 ZINC000739120944 978618360 /nfs/dbraw/zinc/61/83/60/978618360.db2.gz GXMAIRPYCYBVIC-FQEVSTJZSA-N -1 0 393.443 3.398 20 30 GGEDRM N#Cc1ccc([C@@H](Nc2ccc(OCC(F)(F)C(F)F)nc2)C(=O)[O-])cc1 ZINC000739111992 978618407 /nfs/dbraw/zinc/61/84/07/978618407.db2.gz XEMWQCLEJLRYPM-CQSZACIVSA-N -1 0 383.301 3.470 20 30 GGEDRM CC(C)(C)N(N=Cc1ccc(C(=O)[O-])[nH]1)C(=S)NCc1ccc(F)cc1 ZINC000749815991 978690557 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Cc1nn(-c2ccccc2)c(N2CCCC2)c1C=[NH+][N-]c1ccc(C(=O)[O-])cn1 ZINC000763371700 978722797 /nfs/dbraw/zinc/72/27/97/978722797.db2.gz IVAAQGOINXXOFW-UHFFFAOYSA-N -1 0 390.447 3.320 20 30 GGEDRM C=CCOc1ccc(/C=C/C(=O)NC[C@@H](C(=O)[O-])c2ccccc2)cc1OC ZINC000767197524 978736476 /nfs/dbraw/zinc/73/64/76/978736476.db2.gz HJOUIVQJBGYISM-NCUBBLFSSA-N -1 0 381.428 3.258 20 30 GGEDRM CC(C[C@@H]1COCCN1C(=O)OC(C)(C)C)N=Nc1cccc(C(=O)[O-])c1 ZINC000767361311 978737223 /nfs/dbraw/zinc/73/72/23/978737223.db2.gz WYRDLABOFYKOCK-MRXNPFEDSA-N -1 0 377.441 3.199 20 30 GGEDRM COc1cc(C=NNc2cccc(C(=O)[O-])c2)c([N+](=O)[O-])cc1OCC(F)F ZINC000778534804 978782560 /nfs/dbraw/zinc/78/25/60/978782560.db2.gz ZSRMRWJCWTYRPN-UHFFFAOYSA-N -1 0 395.318 3.392 20 30 GGEDRM C=C[C@H]1CCCCN1S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Br ZINC000781957106 978791183 /nfs/dbraw/zinc/79/11/83/978791183.db2.gz ATLMMAWLCJWCGY-VIFPVBQESA-N -1 0 392.246 3.016 20 30 GGEDRM COc1ccc(NN=Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)cc1Cl ZINC000782230263 978792572 /nfs/dbraw/zinc/79/25/72/978792572.db2.gz KMVORKNQVMDQIB-UHFFFAOYSA-N -1 0 379.756 3.166 20 30 GGEDRM COc1ccc2[nH]cc(C=NNc3ccc(C(=O)[O-])cc3OC)c2c1[N+](=O)[O-] ZINC000785458123 978794809 /nfs/dbraw/zinc/79/48/09/978794809.db2.gz ZOTHICZYCKCVIU-UHFFFAOYSA-N -1 0 384.348 3.238 20 30 GGEDRM Cc1ccc(N(CCC#N)S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2C)cc1 ZINC000793392237 978805928 /nfs/dbraw/zinc/80/59/28/978805928.db2.gz HDPMJHTZBRJZLH-UHFFFAOYSA-N -1 0 376.409 3.250 20 30 GGEDRM C=CCOc1ccc(CNS(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)cc1 ZINC000794830044 978822363 /nfs/dbraw/zinc/82/23/63/978822363.db2.gz PSQBNAJZGCDZEI-UHFFFAOYSA-N -1 0 381.837 3.082 20 30 GGEDRM COc1cc(C=C(Cl)c2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)ccc1C#N ZINC000799495143 978841839 /nfs/dbraw/zinc/84/18/39/978841839.db2.gz NPQIBBGRZJWYDD-NSIKDUERSA-N -1 0 381.775 3.238 20 30 GGEDRM O=C([O-])Cn1cc(C=NN2C(=S)N=NC2c2ccc(F)cc2)c2ccccc21 ZINC000799873429 978842406 /nfs/dbraw/zinc/84/24/06/978842406.db2.gz GCTOVKYOFOUEOU-UHFFFAOYSA-N -1 0 395.419 3.294 20 30 GGEDRM O=C([O-])Cn1cc(C=NN2C(=S)N=NC2c2ccccc2F)c2ccccc21 ZINC000799869832 978842790 /nfs/dbraw/zinc/84/27/90/978842790.db2.gz LWQSJZOCCOSBGB-UHFFFAOYSA-N -1 0 395.419 3.294 20 30 GGEDRM O=C([O-])Cn1cc(CN=Nc2nnc(-c3ccccn3)s2)c2ccccc21 ZINC000799886691 978845041 /nfs/dbraw/zinc/84/50/41/978845041.db2.gz YLQVENBEVAGDOX-UHFFFAOYSA-N -1 0 378.417 3.085 20 30 GGEDRM COc1cc(C(=O)[O-])ccc1N=NC1CC2(C1)CN(C(=O)OC(C)(C)C)C2 ZINC000814887301 978896005 /nfs/dbraw/zinc/89/60/05/978896005.db2.gz PTBMLSWLYABCLC-UHFFFAOYSA-N -1 0 375.425 3.192 20 30 GGEDRM CCC(N=Nc1ccc(C(=O)[O-])cc1OC)c1ccccc1OCC(=O)N(C)C ZINC000814887200 978896113 /nfs/dbraw/zinc/89/61/13/978896113.db2.gz NJNVADIYPKAHNN-UHFFFAOYSA-N -1 0 399.447 3.087 20 30 GGEDRM C=CCC1(C(=O)NCc2ccc(C(=O)[O-])cc2Br)CCOCC1 ZINC000819927753 978925316 /nfs/dbraw/zinc/92/53/16/978925316.db2.gz XLKQEOIYTPMICR-UHFFFAOYSA-N -1 0 382.254 3.136 20 30 GGEDRM C=CCn1c(COc2ccccc2)nn(CN2CCC[C@@H]2CC(=O)[O-])c1=S ZINC000825711022 978940845 /nfs/dbraw/zinc/94/08/45/978940845.db2.gz LRXSPEQKRKMIJR-OAHLLOKOSA-N -1 0 388.493 3.076 20 30 GGEDRM CO[C@H](C)c1noc(CNc2cccc(C#Cc3cccc(C(=O)[O-])c3)c2)n1 ZINC000831506275 979032075 /nfs/dbraw/zinc/03/20/75/979032075.db2.gz ZZNDMEUGZJFHFY-CQSZACIVSA-N -1 0 377.400 3.487 20 30 GGEDRM Cc1cc(/C=C\C(=O)c2cn(-c3ccccc3)nn2)cc(C)c1OCC(=O)[O-] ZINC000832881888 979052393 /nfs/dbraw/zinc/05/23/93/979052393.db2.gz VQARZEJRIVDWLI-HJWRWDBZSA-N -1 0 377.400 3.244 20 30 GGEDRM Cc1ccc(NC(=O)CCC(=O)N(CCC#N)c2ccccc2)cc1C(=O)[O-] ZINC000832942809 979058757 /nfs/dbraw/zinc/05/87/57/979058757.db2.gz OIGLZNCFFFEMEY-UHFFFAOYSA-N -1 0 379.416 3.359 20 30 GGEDRM N#Cc1cccnc1NCCOC(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000833076958 979078128 /nfs/dbraw/zinc/07/81/28/979078128.db2.gz USSGXDXIGZFRBP-UHFFFAOYSA-N -1 0 394.309 3.331 20 30 GGEDRM O=C([O-])c1cccc(C#Cc2cccc(NC(=O)NC[C@H]3CCC[C@H](O)C3)c2)c1 ZINC000833138603 979091922 /nfs/dbraw/zinc/09/19/22/979091922.db2.gz HAPKLHOYLNBLPS-RXVVDRJESA-N -1 0 392.455 3.457 20 30 GGEDRM C#CCOc1ccccc1CN1CCc2cc(OC)c(OC)cc2[C@@H]1CC(=O)[O-] ZINC000833367170 979171366 /nfs/dbraw/zinc/17/13/66/979171366.db2.gz QYPCQJPGDKMSGD-IBGZPJMESA-N -1 0 395.455 3.290 20 30 GGEDRM C[C@H](CC#N)Sc1ccccc1NC(=O)Cn1cc(C(=O)[O-])nc1C1CC1 ZINC000833515612 979196140 /nfs/dbraw/zinc/19/61/40/979196140.db2.gz JZQCNSCGPRLWJJ-GFCCVEGCSA-N -1 0 384.461 3.492 20 30 GGEDRM C[C@H](Oc1ccccc1C#N)C(=O)O[C@@H](C(=O)[O-])c1c(F)cccc1Cl ZINC000833539820 979201186 /nfs/dbraw/zinc/20/11/86/979201186.db2.gz IAUXZGGKVLNWOM-MGPLVRAMSA-N -1 0 377.755 3.487 20 30 GGEDRM C[C@@H]1CCc2c(sc(NC(=O)CN3CCC(C)(C#N)CC3)c2C(=O)[O-])C1 ZINC000833616748 979210109 /nfs/dbraw/zinc/21/01/09/979210109.db2.gz GFEIARQHIMHEHH-GFCCVEGCSA-N -1 0 375.494 3.135 20 30 GGEDRM COCCOc1ccc(C(C)=NNc2ccc(C(=O)[O-])c(F)c2)cc1OC ZINC000835010141 979244117 /nfs/dbraw/zinc/24/41/17/979244117.db2.gz PXNGXDXJKPYEAT-UHFFFAOYSA-N -1 0 376.384 3.394 20 30 GGEDRM CCC(CC)(CO)NC(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC001595088271 979376482 /nfs/dbraw/zinc/37/64/82/979376482.db2.gz BBQZYUYXLAAHPH-UHFFFAOYSA-N -1 0 380.444 3.457 20 30 GGEDRM C[C@H](COc1cccc(C#N)c1)OC(=O)c1cc(C(=O)[O-])nn1-c1ccccc1 ZINC001592780828 979411801 /nfs/dbraw/zinc/41/18/01/979411801.db2.gz LZIODGNXPXQSKD-CQSZACIVSA-N -1 0 391.383 3.066 20 30 GGEDRM C=C(Br)CN1Cc2cccc(Br)c2C[C@H]1C(=O)[O-] ZINC000846274891 979441795 /nfs/dbraw/zinc/44/17/95/979441795.db2.gz BITGYFMIXYVAJO-LBPRGKRZSA-N -1 0 375.060 3.169 20 30 GGEDRM C[C@@H](Cc1c(Cl)cccc1Cl)NC(=O)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001592831552 979558504 /nfs/dbraw/zinc/55/85/04/979558504.db2.gz CRQKZNFJMRMTFK-NSHDSACASA-N -1 0 384.263 3.324 20 30 GGEDRM CC(C)c1ccc(C[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2C(=O)[O-])cc1 ZINC001592833630 979571730 /nfs/dbraw/zinc/57/17/30/979571730.db2.gz HZPPFURQNSMDLV-AWEZNQCLSA-N -1 0 386.473 3.289 20 30 GGEDRM C[C@@H](Cc1ccc(C#N)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC001592833657 979571782 /nfs/dbraw/zinc/57/17/82/979571782.db2.gz ILHBGSPMIBMAGG-XOBRGWDASA-N -1 0 375.428 3.030 20 30 GGEDRM C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@@H](Cc1cc2ccccc2o1)C(=O)[O-] ZINC001592834196 979573450 /nfs/dbraw/zinc/57/34/50/979573450.db2.gz MILNHBCSNYGGRN-KUHUBIRLSA-N -1 0 376.412 3.295 20 30 GGEDRM C[C@H](Cc1ccc(C#N)cc1)C(=O)Nc1cc2c(cc1C(=O)[O-])OCCCO2 ZINC001592834212 979574226 /nfs/dbraw/zinc/57/42/26/979574226.db2.gz NBBOZPABFNTPKP-CYBMUJFWSA-N -1 0 380.400 3.235 20 30 GGEDRM C[C@@H](Cc1ccc(C#N)cc1)C(=O)Nc1cc2c(cc1C(=O)[O-])OCCCO2 ZINC001592834213 979574512 /nfs/dbraw/zinc/57/45/12/979574512.db2.gz NBBOZPABFNTPKP-ZDUSSCGKSA-N -1 0 380.400 3.235 20 30 GGEDRM C[C@@](Cc1ccc(Cl)cc1)(NC(=O)c1cc(F)c(C#N)c(F)c1)C(=O)[O-] ZINC001592839069 979594834 /nfs/dbraw/zinc/59/48/34/979594834.db2.gz CFMUPXFNEGYPPO-SFHVURJKSA-N -1 0 378.762 3.306 20 30 GGEDRM CC[C@](CNC(=O)Nc1cc(OC)c(C#N)cc1F)(C(=O)[O-])c1ccccc1 ZINC001595153033 979650268 /nfs/dbraw/zinc/65/02/68/979650268.db2.gz RJNFFSDROOOJFP-HXUWFJFHSA-N -1 0 385.395 3.260 20 30 GGEDRM CC[C@@](CNC(=O)Nc1nc(Cl)c(C#N)s1)(C(=O)[O-])c1ccccc1 ZINC001595154216 979658046 /nfs/dbraw/zinc/65/80/46/979658046.db2.gz LZYZRLWHQUCSET-INIZCTEOSA-N -1 0 378.841 3.222 20 30 GGEDRM CC[C@](CNC(=O)c1c(C)oc(-n2cccc2)c1C#N)(C(=O)[O-])c1ccccc1 ZINC001595159709 979677265 /nfs/dbraw/zinc/67/72/65/979677265.db2.gz HOBPOXXLYYPBIN-JOCHJYFZSA-N -1 0 391.427 3.413 20 30 GGEDRM C=C(C)C[C@@H](NC(=O)C[C@H](NC(=O)OC(C)(C)C)c1ccccc1)C(=O)[O-] ZINC000864187116 979832749 /nfs/dbraw/zinc/83/27/49/979832749.db2.gz DPAQMDYJJFRJQK-JKSUJKDBSA-N -1 0 376.453 3.178 20 30 GGEDRM N#Cc1cccc([C@H](NC(=O)N2CCC(CCC(=O)[O-])CC2)C(F)(F)F)c1 ZINC000864609041 979950239 /nfs/dbraw/zinc/95/02/39/979950239.db2.gz XVZFOFRRWPBTMZ-INIZCTEOSA-N -1 0 383.370 3.448 20 30 GGEDRM C=C1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC000871989150 980024178 /nfs/dbraw/zinc/02/41/78/980024178.db2.gz YOVIZCJNLMYIFH-PHIMTYICSA-N -1 0 375.368 3.275 20 30 GGEDRM CC[C@H](NC(=O)[C@@H](C#N)C(=O)CCc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC001595233327 980134323 /nfs/dbraw/zinc/13/43/23/980134323.db2.gz YVSCFDIBBGEHOG-OALUTQOASA-N -1 0 378.428 3.294 20 30 GGEDRM CC[C@@](NC(=O)c1cc(C#N)cc(N(C)C)c1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595264149 980269925 /nfs/dbraw/zinc/26/99/25/980269925.db2.gz WTIKGIYYUGXRME-FQEVSTJZSA-N -1 0 385.851 3.398 20 30 GGEDRM C=CCOc1ccc(CN2CCC[C@H](n3cc(C(=O)[O-])nn3)C2)cc1Cl ZINC000901525282 980349085 /nfs/dbraw/zinc/34/90/85/980349085.db2.gz QIJKGLVXQZCCCJ-AWEZNQCLSA-N -1 0 376.844 3.032 20 30 GGEDRM C[C@@H](NC(=O)N1CCC(C#N)(C(=O)[O-])CC1)c1nc(-c2ccccc2)cs1 ZINC001593051920 980351009 /nfs/dbraw/zinc/35/10/09/980351009.db2.gz NQAQYZVLFXZKSE-CYBMUJFWSA-N -1 0 384.461 3.271 20 30 GGEDRM C[C@@H](NC(=O)N1CCC(Cc2ncc(C(=O)[O-])s2)CC1)c1cccc(C#N)c1 ZINC001593052621 980355816 /nfs/dbraw/zinc/35/58/16/980355816.db2.gz CJSGODVBDVRDBU-CYBMUJFWSA-N -1 0 398.488 3.438 20 30 GGEDRM CC[C@](NCC(=O)Nc1sccc1C#N)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595286589 980363925 /nfs/dbraw/zinc/36/39/25/980363925.db2.gz GVOGUXTZZQJCIX-QGZVFWFLSA-N -1 0 377.853 3.191 20 30 GGEDRM CC[C@H](c1ccccc1)N(CC(=O)[O-])S(=O)(=O)c1ccc(Cl)cc1C#N ZINC001595362391 980770935 /nfs/dbraw/zinc/77/09/35/980770935.db2.gz CNIPRQNHLKSJQN-MRXNPFEDSA-N -1 0 392.864 3.438 20 30 GGEDRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC001595362520 980772071 /nfs/dbraw/zinc/77/20/71/980772071.db2.gz IEBXHOUNXWLTLS-INIZCTEOSA-N -1 0 394.399 3.063 20 30 GGEDRM CC[C@H](c1ccccc1)N(CC(=O)[O-])S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC001595362521 980772186 /nfs/dbraw/zinc/77/21/86/980772186.db2.gz IEBXHOUNXWLTLS-MRXNPFEDSA-N -1 0 394.399 3.063 20 30 GGEDRM C=CCCn1cc(CN2CCC(c3c[nH]c4ccc(C(=O)[O-])cc43)CC2)nn1 ZINC000902572349 980938954 /nfs/dbraw/zinc/93/89/54/980938954.db2.gz MFPMUMUGECGNNB-UHFFFAOYSA-N -1 0 379.464 3.413 20 30 GGEDRM CC[C@@]1(NC(=O)Nc2cccc(C#Cc3cccc(C(=O)[O-])c3)c2)CCOC1 ZINC001595390289 980945985 /nfs/dbraw/zinc/94/59/85/980945985.db2.gz ARMUFYLLPFZSHO-JOCHJYFZSA-N -1 0 378.428 3.475 20 30 GGEDRM CCC1CCC(NS(=O)(=O)c2c(C#N)sc3ccccc32)(C(=O)[O-])CC1 ZINC001595431425 981053143 /nfs/dbraw/zinc/05/31/43/981053143.db2.gz UDEMGDJUCCQMKP-UHFFFAOYSA-N -1 0 392.502 3.475 20 30 GGEDRM Cc1c(NC(=O)C2(C#N)CCSCC2)cc(Br)cc1C(=O)[O-] ZINC000907717900 981210390 /nfs/dbraw/zinc/21/03/90/981210390.db2.gz ABXUUIBSZXAGQA-UHFFFAOYSA-N -1 0 383.267 3.431 20 30 GGEDRM CCCC(C#N)(CCC)NS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1OC ZINC001595533473 981376060 /nfs/dbraw/zinc/37/60/60/981376060.db2.gz XEEUNNJZNJTNDA-UHFFFAOYSA-N -1 0 388.873 3.188 20 30 GGEDRM CCC[C@@H](CCO)NC(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC001595590918 981546261 /nfs/dbraw/zinc/54/62/61/981546261.db2.gz FFLHPJHEPITSAU-IBGZPJMESA-N -1 0 380.444 3.457 20 30 GGEDRM O=C([O-])[C@@H](CC(F)(F)F)NC(=O)c1cc(OC(F)F)cc(OC(F)F)c1 ZINC000909671531 981565491 /nfs/dbraw/zinc/56/54/91/981565491.db2.gz QUJGERHTLGDGQU-MRVPVSSYSA-N -1 0 393.211 3.025 20 30 GGEDRM C#CCCCCC(=O)N1C[C@@H](c2ccc(Br)cc2)[C@H](C(=O)[O-])C1 ZINC000909856615 981681802 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380.448 3.158 20 30 GGEDRM CCC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001594801195 981895609 /nfs/dbraw/zinc/89/56/09/981895609.db2.gz HADXSTKVTPDCAZ-MRXNPFEDSA-N -1 0 397.479 3.076 20 30 GGEDRM CCCC[C@H](ON=C(C)C)C(=O)N1CCN(c2ccc(C(=O)[O-])cc2)C[C@H]1C ZINC001595652186 982031381 /nfs/dbraw/zinc/03/13/81/982031381.db2.gz PTFHKQLFMNMHMZ-APWZRJJASA-N -1 0 389.496 3.393 20 30 GGEDRM CCCC[C@@H](ON=C(C)C)C(=O)N1CCN(c2ccc(C(=O)[O-])cc2)C[C@H]1C ZINC001595652189 982031574 /nfs/dbraw/zinc/03/15/74/982031574.db2.gz PTFHKQLFMNMHMZ-VQIMIIECSA-N -1 0 389.496 3.393 20 30 GGEDRM C=CCOc1ccc(C(=O)Nc2nc3c(s2)CC[C@H](C(=O)[O-])C3)cc1OC ZINC000910679470 982055016 /nfs/dbraw/zinc/05/50/16/982055016.db2.gz KSIWTYAREHDVMH-LBPRGKRZSA-N -1 0 388.445 3.158 20 30 GGEDRM C=CCOc1cc(OC)ccc1C(=O)Nc1nc2c(s1)CC[C@H](C(=O)[O-])C2 ZINC000910682971 982059392 /nfs/dbraw/zinc/05/93/92/982059392.db2.gz LUCXWRDGDSHRCV-NSHDSACASA-N -1 0 388.445 3.158 20 30 GGEDRM 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C#CC[C@H](NC(=O)c1cnc(Nc2ccc(Cl)cc2)c(Cl)c1)C(=O)[O-] ZINC001588417068 983438367 /nfs/dbraw/zinc/43/83/67/983438367.db2.gz WSCCIKRMROLOEJ-AWEZNQCLSA-N -1 0 378.215 3.338 20 30 GGEDRM C#CC[C@]1(C(=O)O[C@H](C)c2ccc(C(=O)[O-])o2)CCCN1C(=O)OC(C)(C)C ZINC001588427632 983457078 /nfs/dbraw/zinc/45/70/78/983457078.db2.gz GRXVJDVNRYPATC-ZUOKHONESA-N -1 0 391.420 3.375 20 30 GGEDRM C#CCC1(NC(=O)Nc2ccc(Oc3ccnc(C(=O)[O-])c3)cc2)CCOCC1 ZINC001588427783 983458002 /nfs/dbraw/zinc/45/80/02/983458002.db2.gz LXQJECQLZWETOF-UHFFFAOYSA-N -1 0 395.415 3.266 20 30 GGEDRM C#CC[C@@]1(C(=O)Nc2ccc(C(=O)[O-])cc2C)CCCN1C(=O)OC(C)(C)C ZINC001588428193 983460692 /nfs/dbraw/zinc/46/06/92/983460692.db2.gz FPHWPQFDUYUPAY-NRFANRHFSA-N -1 0 386.448 3.425 20 30 GGEDRM C#CC[C@@H](NS(=O)(=O)c1sc(C(=O)[O-])c(Cl)c1C)c1ccccc1 ZINC001588428547 983462582 /nfs/dbraw/zinc/46/25/82/983462582.db2.gz SEAHDYWVHOVQNY-GFCCVEGCSA-N -1 0 383.878 3.451 20 30 GGEDRM C#CCC1(NS(=O)(=O)c2cc(C(F)(F)F)ccc2C(=O)[O-])CCCCC1 ZINC001588432087 983467212 /nfs/dbraw/zinc/46/72/12/983467212.db2.gz XLZJNUXOLNBLHK-UHFFFAOYSA-N -1 0 389.395 3.408 20 30 GGEDRM C#CC[C@H]1CCCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2C(=O)[O-])C1 ZINC001588434793 983472302 /nfs/dbraw/zinc/47/23/02/983472302.db2.gz SZPKSMRWYGARTC-JTQLQIEISA-N -1 0 376.261 3.116 20 30 GGEDRM C#CCN(C(=O)N[C@H]1CCCn2nc(C(=O)[O-])cc21)[C@H]1CCCc2ccccc21 ZINC001588460081 983486773 /nfs/dbraw/zinc/48/67/73/983486773.db2.gz ROIPFDABLNLLGM-HKUYNNGSSA-N -1 0 392.459 3.139 20 30 GGEDRM C#CCN(C(=O)N[C@H]1CCCn2nc(C(=O)[O-])cc21)[C@@H]1CCCc2ccccc21 ZINC001588460084 983486839 /nfs/dbraw/zinc/48/68/39/983486839.db2.gz ROIPFDABLNLLGM-PKOBYXMFSA-N -1 0 392.459 3.139 20 30 GGEDRM C#CCN([C@@H]1CCCc2ccccc21)S(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC001588463546 983491408 /nfs/dbraw/zinc/49/14/08/983491408.db2.gz AJUAWUFUODAZRG-HXUWFJFHSA-N -1 0 383.469 3.015 20 30 GGEDRM C#CCN([C@@H]1CCCc2ccccc21)S(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC001588463831 983492265 /nfs/dbraw/zinc/49/22/65/983492265.db2.gz NSAQPVGABWPKQK-LJQANCHMSA-N -1 0 387.432 3.225 20 30 GGEDRM C#CCN([C@H]1CCCc2ccccc21)S(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC001588463830 983492356 /nfs/dbraw/zinc/49/23/56/983492356.db2.gz NSAQPVGABWPKQK-IBGZPJMESA-N -1 0 387.432 3.225 20 30 GGEDRM C#CCN([C@H]1CCCc2ccccc21)S(=O)(=O)c1cccc(C)c1C(=O)[O-] ZINC001588464000 983492929 /nfs/dbraw/zinc/49/29/29/983492929.db2.gz SGNOFQFCNOZJLB-SFHVURJKSA-N -1 0 383.469 3.395 20 30 GGEDRM C#CCN([C@H]1CCCc2ccccc21)S(=O)(=O)c1ccc(F)cc1C(=O)[O-] ZINC001588464177 983493493 /nfs/dbraw/zinc/49/34/93/983493493.db2.gz YRGOQFYUXLTAGG-SFHVURJKSA-N -1 0 387.432 3.225 20 30 GGEDRM C#CCN(CC(=O)N[C@H](CCC(=O)[O-])CC1CCCCC1)C(=O)OC(C)(C)C ZINC001588465818 983496528 /nfs/dbraw/zinc/49/65/28/983496528.db2.gz IUXBSJVGNCJBHU-QGZVFWFLSA-N -1 0 394.512 3.177 20 30 GGEDRM CCN(C(=O)CSc1nc(C)c(C)c(C)c1C#N)c1ncc(C(=O)[O-])s1 ZINC001596143862 983498124 /nfs/dbraw/zinc/49/81/24/983498124.db2.gz WFOPYKMGNHQLMJ-UHFFFAOYSA-N -1 0 390.490 3.178 20 30 GGEDRM C#CCN(CC(=O)OC(C)(C)C)Cc1csc(-c2ccc(C(=O)[O-])cc2)n1 ZINC001588467744 983499481 /nfs/dbraw/zinc/49/94/81/983499481.db2.gz DXIARACORCKMTQ-UHFFFAOYSA-N -1 0 386.473 3.285 20 30 GGEDRM C#CCN(Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1)[C@H]1CCc2ccccc21 ZINC001588469290 983501235 /nfs/dbraw/zinc/50/12/35/983501235.db2.gz BQISSHZPUYDOAX-SFHVURJKSA-N -1 0 380.400 3.181 20 30 GGEDRM C#CCN(Cc1cccc(C(=O)[O-])c1C#N)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001588469932 983504017 /nfs/dbraw/zinc/50/40/17/983504017.db2.gz URCDAESYQFRFMX-UHFFFAOYSA-N -1 0 397.475 3.091 20 30 GGEDRM C#CCOc1ccc(CNC(=O)Nc2cc(C(=O)[O-])ccc2N2CCCC2)cc1 ZINC001588497474 983539052 /nfs/dbraw/zinc/53/90/52/983539052.db2.gz IUCUSGGSLWCQHE-UHFFFAOYSA-N -1 0 393.443 3.319 20 30 GGEDRM C#CCOc1ccc(NC(=O)N[C@@](C)(CC(=O)[O-])c2cccc(OC)c2)cc1 ZINC001588497944 983542611 /nfs/dbraw/zinc/54/26/11/983542611.db2.gz MIRWLZKRJCOLEA-NRFANRHFSA-N -1 0 382.416 3.219 20 30 GGEDRM C#CCOc1cc(F)ccc1NC(=O)N1CCc2c(F)ccc(C(=O)[O-])c2C1 ZINC001588498674 983543732 /nfs/dbraw/zinc/54/37/32/983543732.db2.gz BKSUEARFRKLCOV-UHFFFAOYSA-N -1 0 386.354 3.265 20 30 GGEDRM C#CCOc1cc(F)ccc1NC(=O)NC[C@@](CC)(C(=O)[O-])c1ccccc1 ZINC001588498750 983544185 /nfs/dbraw/zinc/54/41/85/983544185.db2.gz DUCGVFOBIICFCD-OAQYLSRUSA-N -1 0 384.407 3.392 20 30 GGEDRM C#CCOc1cc(F)ccc1NC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C ZINC001588499200 983545001 /nfs/dbraw/zinc/54/50/01/983545001.db2.gz PSAKBVQBGBUODJ-UHFFFAOYSA-N -1 0 387.323 3.397 20 30 GGEDRM C#CCOc1ccc(C(=O)N[C@H](C[C@@H]2CCCc3ccccc32)C(=O)[O-])cc1 ZINC001588499284 983545402 /nfs/dbraw/zinc/54/54/02/983545402.db2.gz VIPOEKZPMOTNQW-GHTZIAJQSA-N -1 0 377.440 3.392 20 30 GGEDRM C#CCOc1cc(F)ccc1NC(=O)N[C@](C)(CC(=O)[O-])c1cccc(F)c1 ZINC001588499309 983545456 /nfs/dbraw/zinc/54/54/56/983545456.db2.gz WUJZQBBFDXNSNT-HXUWFJFHSA-N -1 0 388.370 3.488 20 30 GGEDRM C#CCOc1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)cc1 ZINC001588499275 983545476 /nfs/dbraw/zinc/54/54/76/983545476.db2.gz TZNOGIWZTWNHIW-MRXNPFEDSA-N -1 0 377.318 3.273 20 30 GGEDRM C#CCOc1ccccc1CNC(=O)Nc1ccc(O[C@H](C)C(=O)[O-])c(F)c1 ZINC001588504165 983546659 /nfs/dbraw/zinc/54/66/59/983546659.db2.gz JOVYWNLSNXQMBN-CYBMUJFWSA-N -1 0 386.379 3.011 20 30 GGEDRM CCN([C@@H](C)c1ccc(C#N)cc1)S(=O)(=O)c1ccc(F)cc1C(=O)[O-] ZINC001596178156 983547780 /nfs/dbraw/zinc/54/77/80/983547780.db2.gz OCCQZRLDTHAVHX-LBPRGKRZSA-N -1 0 376.409 3.167 20 30 GGEDRM C#CCOc1ccccc1OS(=O)(=O)c1cc2ccccc2cc1C(=O)[O-] ZINC001588504441 983547880 /nfs/dbraw/zinc/54/78/80/983547880.db2.gz AWYPHYFLSKBFBE-UHFFFAOYSA-N -1 0 382.393 3.318 20 30 GGEDRM CCN([C@H](C)c1ccc(C#N)cc1)S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1C ZINC001596178829 983548583 /nfs/dbraw/zinc/54/85/83/983548583.db2.gz VFUQIDHHFFZMIS-CYBMUJFWSA-N -1 0 390.436 3.476 20 30 GGEDRM C#CCn1ccc(CN(CC)C(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)n1 ZINC001588509496 983553309 /nfs/dbraw/zinc/55/33/09/983553309.db2.gz IKJISHIUSQIGFR-UHFFFAOYSA-N -1 0 382.445 3.483 20 30 GGEDRM C#CCn1cc(CNC(=O)c2ccccc2SCc2occc2C(=O)[O-])cn1 ZINC001588509770 983553583 /nfs/dbraw/zinc/55/35/83/983553583.db2.gz MTYMJSUOSDWAKJ-UHFFFAOYSA-N -1 0 395.440 3.030 20 30 GGEDRM C#Cc1ccc(C(=O)N2Cc3sc(C(=O)[O-])c(Br)c3C2)cc1 ZINC001588511113 983558527 /nfs/dbraw/zinc/55/85/27/983558527.db2.gz QVXSFFMXNIUFFV-UHFFFAOYSA-N -1 0 376.231 3.346 20 30 GGEDRM C#Cc1ccc(NC(=O)N2CC[C@@H](c3ncc(C(=O)[O-])s3)C2)c(Cl)c1 ZINC001588517618 983565743 /nfs/dbraw/zinc/56/57/43/983565743.db2.gz DADNQOSYOQSWNW-LLVKDONJSA-N -1 0 375.837 3.497 20 30 GGEDRM C#Cc1cccc(NC(=O)CN[C@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)c1 ZINC001588523227 983571591 /nfs/dbraw/zinc/57/15/91/983571591.db2.gz BRMGIQQKNMDNNJ-KRWDZBQOSA-N -1 0 377.227 3.329 20 30 GGEDRM C#Cc1ccccc1CC(=O)N[C@@H](CC(=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC001588524474 983575091 /nfs/dbraw/zinc/57/50/91/983575091.db2.gz LNCAHZQSFABKER-KRWDZBQOSA-N -1 0 391.345 3.441 20 30 GGEDRM C#Cc1ccccc1CC(=O)N[C@@H](C(=O)[O-])c1ccccc1OC(F)(F)F ZINC001588524828 983576150 /nfs/dbraw/zinc/57/61/50/983576150.db2.gz UKXNWYRZBFCDNL-QGZVFWFLSA-N -1 0 377.318 3.051 20 30 GGEDRM C#Cc1ccccc1CC(=O)Nc1cc(OC)c(Br)cc1C(=O)[O-] ZINC001588528596 983577168 /nfs/dbraw/zinc/57/71/68/983577168.db2.gz CIDFGJRZKUWAPN-UHFFFAOYSA-N -1 0 388.217 3.318 20 30 GGEDRM C=C(Br)Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](C(=O)[O-])C1 ZINC001588529368 983581050 /nfs/dbraw/zinc/58/10/50/983581050.db2.gz XIEFSCMMCRHCIC-GFCCVEGCSA-N -1 0 395.257 3.056 20 30 GGEDRM C=C(Br)Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](C(=O)[O-])C1 ZINC001588529369 983581117 /nfs/dbraw/zinc/58/11/17/983581117.db2.gz XIEFSCMMCRHCIC-LBPRGKRZSA-N -1 0 395.257 3.056 20 30 GGEDRM C=C(C)[C@@H](NS(=O)(=O)c1cccc(CC(=O)[O-])c1)c1ccc(F)c(F)c1 ZINC001588533855 983584738 /nfs/dbraw/zinc/58/47/38/983584738.db2.gz AWFMNSXYSDFCDU-GOSISDBHSA-N -1 0 381.400 3.188 20 30 GGEDRM C=C(C)[C@@H](NS(=O)(=O)c1cc(F)ccc1C(=O)[O-])c1ccc(F)c(F)c1 ZINC001588536278 983593460 /nfs/dbraw/zinc/59/34/60/983593460.db2.gz WUMHHUDYEBVJBT-MRXNPFEDSA-N -1 0 385.363 3.398 20 30 GGEDRM C=C(C)C[C@H](NC(=O)C1C[C@H]2CCC[C@@H](C1)C2NC(=O)OC(C)(C)C)C(=O)[O-] ZINC001588537025 983597138 /nfs/dbraw/zinc/59/71/38/983597138.db2.gz HJUGLYIAWGCXSC-YKDOHLLJSA-N -1 0 394.512 3.242 20 30 GGEDRM C=C(C)C[C@H](NC(=O)C[C@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C(=O)[O-] ZINC001588541366 983607264 /nfs/dbraw/zinc/60/72/64/983607264.db2.gz XRXUPELNDXBPDP-XHSDSOJGSA-N -1 0 382.501 3.195 20 30 GGEDRM C=C(C)C[C@@H](NC(=O)C[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)[O-] ZINC001588542113 983607510 /nfs/dbraw/zinc/60/75/10/983607510.db2.gz BBEDMGXDFFLGJE-IAGOWNOFSA-N -1 0 390.480 3.048 20 30 GGEDRM C=C(C)C[C@@H](NC(=O)CSc1nncn1-c1ccc(C(C)C)cc1)C(=O)[O-] ZINC001588542280 983608035 /nfs/dbraw/zinc/60/80/35/983608035.db2.gz FJQQZOQVPYWPCY-MRXNPFEDSA-N -1 0 388.493 3.018 20 30 GGEDRM C=C(C)C[C@@H](NC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001588546245 983614314 /nfs/dbraw/zinc/61/43/14/983614314.db2.gz BSPLATTXWMPGPF-CXAGYDPISA-N -1 0 398.419 3.312 20 30 GGEDRM C=C(C)C[C@H](NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001588546780 983617097 /nfs/dbraw/zinc/61/70/97/983617097.db2.gz PPSWLXOWEXSIBH-KRWDZBQOSA-N -1 0 383.404 3.356 20 30 GGEDRM C=C(C)C[C@@H](NC(=O)c1ccc(I)cc1Cl)C(=O)[O-] ZINC001588547062 983618420 /nfs/dbraw/zinc/61/84/20/983618420.db2.gz SRNJVZKQMXHUOK-LLVKDONJSA-N -1 0 393.608 3.094 20 30 GGEDRM C=C(C)C[C@H](NC(C)=O)C(=O)OCc1c(C(=O)[O-])sc2cccc(F)c21 ZINC001588548162 983623264 /nfs/dbraw/zinc/62/32/64/983623264.db2.gz RCFDEDIAODZLAP-ZDUSSCGKSA-N -1 0 379.409 3.253 20 30 GGEDRM CCN(C[C@@H](C)C#N)C(=O)CSc1ccc(Br)cc1C(=O)[O-] ZINC001596231054 983625792 /nfs/dbraw/zinc/62/57/92/983625792.db2.gz GMZGGDLFAJADSD-JTQLQIEISA-N -1 0 385.283 3.248 20 30 GGEDRM C=C(C)C[C@@H](NC(=O)c1cnn(-c2cccc(Br)c2)c1C)C(=O)[O-] ZINC001588549045 983626377 /nfs/dbraw/zinc/62/63/77/983626377.db2.gz WNGXECCEJOWBLZ-OAHLLOKOSA-N -1 0 392.253 3.092 20 30 GGEDRM CCN(C[C@H](C)C#N)C(=O)COC(=O)c1ccccc1-c1ccccc1C(=O)[O-] ZINC001596231717 983627226 /nfs/dbraw/zinc/62/72/26/983627226.db2.gz SDEYMUYHFDZOQG-OAHLLOKOSA-N -1 0 394.427 3.217 20 30 GGEDRM C=C(C)C[C@@H](Nc1ncnc2ccc(I)cc21)C(=O)[O-] ZINC001588554313 983630304 /nfs/dbraw/zinc/63/03/04/983630304.db2.gz DBTDYABGCOPBKY-GFCCVEGCSA-N -1 0 383.189 3.066 20 30 GGEDRM C=C(C)C[C@H](NS(=O)(=O)c1ccc(C(F)(F)C(F)(F)F)cc1)C(=O)[O-] ZINC001588555271 983633854 /nfs/dbraw/zinc/63/38/54/983633854.db2.gz CTYSVXSBYIGJTI-NSHDSACASA-N -1 0 387.326 3.038 20 30 GGEDRM C=C(C)C[C@@H](NS(=O)(=O)c1ccc(OCc2ccccc2)c(F)c1)C(=O)[O-] ZINC001588555441 983635106 /nfs/dbraw/zinc/63/51/06/983635106.db2.gz IVJJIOQEDZYMSO-QGZVFWFLSA-N -1 0 393.436 3.102 20 30 GGEDRM C=C(C)C[C@H](NS(=O)(=O)c1ccc(OC(C)C)c2ccccc21)C(=O)[O-] ZINC001588555634 983636127 /nfs/dbraw/zinc/63/61/27/983636127.db2.gz NUXRUCNDPRYLAP-INIZCTEOSA-N -1 0 377.462 3.325 20 30 GGEDRM CCN(CC)C(=O)CCC(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC001596242238 983641677 /nfs/dbraw/zinc/64/16/77/983641677.db2.gz CNGUMBAOKVSGQO-UHFFFAOYSA-N -1 0 392.455 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GGEDRM C=C(Cl)Cn1c(COc2cccc(C)c2)nnc1N1CCC[C@@H](C(=O)[O-])C1 ZINC001588643894 983767613 /nfs/dbraw/zinc/76/76/13/983767613.db2.gz WVLJDFVGYKIDCN-OAHLLOKOSA-N -1 0 390.871 3.219 20 30 GGEDRM C=C1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1cc(Br)cc(C(=O)[O-])c1 ZINC001588644223 983768663 /nfs/dbraw/zinc/76/86/63/983768663.db2.gz IKBVYGQLHINCCC-BETUJISGSA-N -1 0 386.267 3.019 20 30 GGEDRM C=CC(C)(C)CCNS(=O)(=O)c1ccc(Br)c(C(=O)[O-])c1 ZINC001588676768 983830651 /nfs/dbraw/zinc/83/06/51/983830651.db2.gz AJALLTYXCFUARI-UHFFFAOYSA-N -1 0 376.272 3.028 20 30 GGEDRM C=CC(C)(C)CCCNS(=O)(=O)c1cc(Br)cc(C(=O)[O-])c1 ZINC001588676931 983831988 /nfs/dbraw/zinc/83/19/88/983831988.db2.gz LDINXGQJESLAIB-UHFFFAOYSA-N -1 0 390.299 3.418 20 30 GGEDRM C=C[C@H](CC(=O)N[C@H]1CCc2cc(C(=O)[O-])ccc2NC1=O)c1ccccc1 ZINC001588690723 983875792 /nfs/dbraw/zinc/87/57/92/983875792.db2.gz JULXUZGJSFTSOC-KUHUBIRLSA-N -1 0 378.428 3.114 20 30 GGEDRM C=C[C@@H](CC(=O)N[C@@H]1CCc2cc(C(=O)[O-])ccc2NC1=O)c1ccccc1 ZINC001588690722 983875820 /nfs/dbraw/zinc/87/58/20/983875820.db2.gz JULXUZGJSFTSOC-IFXJQAMLSA-N -1 0 378.428 3.114 20 30 GGEDRM C=C[C@H](CC(=O)O[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1)c1ccccc1 ZINC001588691385 983881258 /nfs/dbraw/zinc/88/12/58/983881258.db2.gz ZMQZLSLDDLBEBH-OIISXLGYSA-N -1 0 389.448 3.352 20 30 GGEDRM CCN(c1ccc(C#N)c(Cl)c1)S(=O)(=O)c1cccc(C)c1C(=O)[O-] ZINC001596383663 983908166 /nfs/dbraw/zinc/90/81/66/983908166.db2.gz DMYUSHUQNPFMJW-UHFFFAOYSA-N -1 0 378.837 3.434 20 30 GGEDRM C=C[C@H](Sc1nnc(-c2ccccn2)n1-c1ccc(OCC)cc1)C(=O)[O-] ZINC001588714681 983952175 /nfs/dbraw/zinc/95/21/75/983952175.db2.gz KZHDKTVXFMCOJH-INIZCTEOSA-N -1 0 382.445 3.459 20 30 GGEDRM C=C[C@H](Sc1nnc2n1c1ccccc1c(=O)n2-c1ccc(C)cc1)C(=O)[O-] ZINC001588714805 983953511 /nfs/dbraw/zinc/95/35/11/983953511.db2.gz NXXQJJGZMAKGSR-INIZCTEOSA-N -1 0 392.440 3.073 20 30 GGEDRM C=CC[C@H](C(=O)O[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1)c1ccccc1 ZINC001588731499 984008375 /nfs/dbraw/zinc/00/83/75/984008375.db2.gz JDMNBVASHDILLD-IKGGRYGDSA-N -1 0 389.448 3.352 20 30 GGEDRM C=CCC(C)(C)CNC(=O)N1CCN([C@@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC001588736657 984025844 /nfs/dbraw/zinc/02/58/44/984025844.db2.gz QNFINHAUSMFQBY-QGZVFWFLSA-N -1 0 393.915 3.395 20 30 GGEDRM C=CC[C@@H](Cc1ccccc1)NC(=O)Nc1ccc(C(=O)NCCC(=O)[O-])cc1 ZINC001588743863 984039805 /nfs/dbraw/zinc/03/98/05/984039805.db2.gz DSNZZKFKFRHJIH-IBGZPJMESA-N -1 0 395.459 3.200 20 30 GGEDRM C=CC[C@H](Cc1ccccc1)NS(=O)(=O)c1cc(C(=O)[O-])cc(C)c1F ZINC001588744622 984044109 /nfs/dbraw/zinc/04/41/09/984044109.db2.gz PMLHWWUBKFVMJA-MRXNPFEDSA-N -1 0 377.437 3.298 20 30 GGEDRM C=CC[C@@H](Cn1c(C(C)C)nnc1N1C[C@@H](CC(=O)[O-])[C@H](O)C1)c1ccccc1 ZINC001588745092 984048482 /nfs/dbraw/zinc/04/84/82/984048482.db2.gz VEQHHUPOPPTBDL-IPMKNSEASA-N -1 0 398.507 3.033 20 30 GGEDRM C=CC[C@H](OC(=O)C1CCN(C(=O)c2cccc3ccccc32)CC1)C(=O)[O-] ZINC001588753463 984086191 /nfs/dbraw/zinc/08/61/91/984086191.db2.gz HWPQAGRADFSPOM-IBGZPJMESA-N -1 0 381.428 3.265 20 30 GGEDRM C=CC[C@@H](Sc1nnc(CN2CCCCC2)n1Cc1ccccc1)C(=O)[O-] ZINC001588763232 984118749 /nfs/dbraw/zinc/11/87/49/984118749.db2.gz QQKYMOOGCHCDNS-QGZVFWFLSA-N -1 0 386.521 3.434 20 30 GGEDRM C=CC[C@]1(C(=O)N2CCC(CC(=O)[O-])CC2)CCCN1C(=O)OC(C)(C)C ZINC001588763607 984119265 /nfs/dbraw/zinc/11/92/65/984119265.db2.gz UNYUAPXMZSKGHR-HXUWFJFHSA-N -1 0 380.485 3.046 20 30 GGEDRM C=CCC1(C(=O)N2C[C@H](C(=O)OC(C)(C)C)C3(CC(C(=O)[O-])C3)C2)CCC1 ZINC001588763741 984120636 /nfs/dbraw/zinc/12/06/36/984120636.db2.gz XUZDBCFPFFSAMW-FAGJFJLWSA-N -1 0 377.481 3.014 20 30 GGEDRM C=CC[C@@]1(C(=O)OCc2cccc(C(=O)[O-])n2)CCCN1C(=O)OC(C)(C)C ZINC001588767054 984127555 /nfs/dbraw/zinc/12/75/55/984127555.db2.gz GPCQTSMXJBMNKA-FQEVSTJZSA-N -1 0 390.436 3.169 20 30 GGEDRM C=CCC1(NS(=O)(=O)c2cc(Br)ccc2C(=O)[O-])CCCC1 ZINC001588769208 984132890 /nfs/dbraw/zinc/13/28/90/984132890.db2.gz PTMQHXTVUGPGLO-UHFFFAOYSA-N -1 0 388.283 3.315 20 30 GGEDRM C=CCC1(NS(=O)(=O)c2ccc(Br)c(C(=O)[O-])c2)CCCC1 ZINC001588769315 984133552 /nfs/dbraw/zinc/13/35/52/984133552.db2.gz RYFVYIDAOLPPRD-UHFFFAOYSA-N -1 0 388.283 3.315 20 30 GGEDRM C=CCC1(NS(=O)(=O)c2c(Cl)cc(Cl)cc2C(=O)[O-])CCOCC1 ZINC001588769539 984133872 /nfs/dbraw/zinc/13/38/72/984133872.db2.gz XVZOHXFZFANUQS-UHFFFAOYSA-N -1 0 394.276 3.095 20 30 GGEDRM C=CC[C@@H]1CCCN(S(=O)(=O)c2sc(C(=O)[O-])cc2Br)C1 ZINC001588772957 984146051 /nfs/dbraw/zinc/14/60/51/984146051.db2.gz RTGNCNNZZFWEFA-SECBINFHSA-N -1 0 394.312 3.186 20 30 GGEDRM C=CC[C@H]1CCCN(S(=O)(=O)c2cccc(C(=O)[O-])c2Br)C1 ZINC001588772946 984146062 /nfs/dbraw/zinc/14/60/62/984146062.db2.gz REPFLEWJKATCIA-NSHDSACASA-N -1 0 388.283 3.124 20 30 GGEDRM C=CCCC(C)(C)CNS(=O)(=O)c1cc(C(=O)[O-])ccc1Br ZINC001588777729 984157392 /nfs/dbraw/zinc/15/73/92/984157392.db2.gz HXRDZXWYFAAFBP-UHFFFAOYSA-N -1 0 390.299 3.418 20 30 GGEDRM C=CCC[C@H](NS(=O)(=O)c1ccc(OC)cc1C(=O)[O-])c1ccccc1 ZINC001588779150 984164631 /nfs/dbraw/zinc/16/46/31/984164631.db2.gz UETNESCYZWUNCE-KRWDZBQOSA-N -1 0 375.446 3.379 20 30 GGEDRM C=CCC[C@H]1CCCN1S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC001588782100 984169650 /nfs/dbraw/zinc/16/96/50/984169650.db2.gz OJFOOYGOANKMCR-VIFPVBQESA-N -1 0 394.312 3.328 20 30 GGEDRM C=CCC[C@H]1CCCN1C(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)[O-] ZINC001588782587 984173504 /nfs/dbraw/zinc/17/35/04/984173504.db2.gz WOUPDUOAYXRQTQ-ROUUACIJSA-N -1 0 388.464 3.103 20 30 GGEDRM C=CCCC[C@@H](NC(=O)[C@@H](C)NC(=O)c1cccc(Cl)c1Cl)C(=O)[O-] ZINC001588785416 984180054 /nfs/dbraw/zinc/18/00/54/984180054.db2.gz GLAQDUABRJCFKN-ZWNOBZJWSA-N -1 0 387.263 3.037 20 30 GGEDRM C=CCCC[C@@H](NC(=O)[C@](C)(NC(=O)OC(C)(C)C)c1ccccc1)C(=O)[O-] ZINC001588786712 984184492 /nfs/dbraw/zinc/18/44/92/984184492.db2.gz QYVAQIRIURWIAD-IIBYNOLFSA-N -1 0 390.480 3.352 20 30 GGEDRM C=CCCC[C@@H](NC(=O)[C@@](C)(NC(=O)OC(C)(C)C)c1ccccc1)C(=O)[O-] ZINC001588786709 984184652 /nfs/dbraw/zinc/18/46/52/984184652.db2.gz QYVAQIRIURWIAD-IERDGZPVSA-N -1 0 390.480 3.352 20 30 GGEDRM C=CCCC[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1)C(=O)[O-] ZINC001588786997 984185335 /nfs/dbraw/zinc/18/53/35/984185335.db2.gz SLWKPDYYDNITLS-HOTGVXAUSA-N -1 0 382.501 3.386 20 30 GGEDRM C=CCCC[C@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)C1CCCCC1)C(=O)[O-] ZINC001588787001 984185400 /nfs/dbraw/zinc/18/54/00/984185400.db2.gz SLWKPDYYDNITLS-JKSUJKDBSA-N -1 0 382.501 3.386 20 30 GGEDRM C=CCCC[C@@H](NC(=O)CCc1nnc(-c2cc3ccccc3o2)o1)C(=O)[O-] ZINC001588788538 984191083 /nfs/dbraw/zinc/19/10/83/984191083.db2.gz GKRYLLMIKDZBEJ-CQSZACIVSA-N -1 0 383.404 3.341 20 30 GGEDRM C=CCCC[C@H](NC(=O)CCc1c(C)nc2c3ccccc3nn2c1C)C(=O)[O-] ZINC001588788855 984193848 /nfs/dbraw/zinc/19/38/48/984193848.db2.gz PVFBZPVWMMFDES-IBGZPJMESA-N -1 0 394.475 3.358 20 30 GGEDRM C=CCCC[C@H](NC(=O)CSc1nc(-c2cccc(C)c2)no1)C(=O)[O-] ZINC001588788847 984193981 /nfs/dbraw/zinc/19/39/81/984193981.db2.gz PTJQCADMALRFGL-AWEZNQCLSA-N -1 0 375.450 3.063 20 30 GGEDRM C=CCCC[C@@H](NC(=O)CCc1nc(-c2ccc(F)c(C)c2)no1)C(=O)[O-] ZINC001588789020 984196062 /nfs/dbraw/zinc/19/60/62/984196062.db2.gz VDHMPWQOQMDPCZ-OAHLLOKOSA-N -1 0 375.400 3.042 20 30 GGEDRM C=CCCC[C@H](NC(=O)[C@@H]1CCOc2ccc(Br)cc21)C(=O)[O-] ZINC001588789311 984197890 /nfs/dbraw/zinc/19/78/90/984197890.db2.gz AWIMYHJPTDBNNG-OCCSQVGLSA-N -1 0 382.254 3.241 20 30 GGEDRM C=CCCC[C@H](NC(=O)[C@H]1CC[C@H](C2CC2)N1C(=O)OC(C)(C)C)C(=O)[O-] ZINC001588789870 984201375 /nfs/dbraw/zinc/20/13/75/984201375.db2.gz LTHSQCNXCSHLPA-ARFHVFGLSA-N -1 0 380.485 3.090 20 30 GGEDRM C=CCCC[C@H](NC(=O)[C@@H]1CC[C@H](C2CC2)N1C(=O)OC(C)(C)C)C(=O)[O-] ZINC001588789873 984201548 /nfs/dbraw/zinc/20/15/48/984201548.db2.gz LTHSQCNXCSHLPA-XHSDSOJGSA-N -1 0 380.485 3.090 20 30 GGEDRM C=CCCC[C@@H](NC(=O)[C@@H]1CC(c2ccc(Cl)cc2Cl)=NO1)C(=O)[O-] ZINC001588789931 984202364 /nfs/dbraw/zinc/20/23/64/984202364.db2.gz NHYRHTNUVVVFQK-HIFRSBDPSA-N -1 0 385.247 3.412 20 30 GGEDRM C=CCCC[C@H](NC(=O)[C@@H]1C[C@@H]1c1cc2c(cc1OCC)C[C@@H](C)O2)C(=O)[O-] ZINC001588790545 984206487 /nfs/dbraw/zinc/20/64/87/984206487.db2.gz YOBLZDUXNANUHK-UWIFEVILSA-N -1 0 387.476 3.438 20 30 GGEDRM C=CCCC[C@H](NC(=O)c1cc(C)ccc1I)C(=O)[O-] ZINC001588792296 984207779 /nfs/dbraw/zinc/20/77/79/984207779.db2.gz CCRWMPQCADZTJW-ZDUSSCGKSA-N -1 0 387.217 3.139 20 30 GGEDRM C=CCCC[C@H](NC(=O)c1cc(C)nc2c1cnn2Cc1cccs1)C(=O)[O-] ZINC001588792389 984208755 /nfs/dbraw/zinc/20/87/55/984208755.db2.gz FVOMOGRVZLOABP-KRWDZBQOSA-N -1 0 398.488 3.389 20 30 GGEDRM C=CCCC[C@H](NC(=O)c1ccc(C(=O)NCc2cccc(C)c2)cc1)C(=O)[O-] ZINC001588792669 984211422 /nfs/dbraw/zinc/21/14/22/984211422.db2.gz LGNDFRYVRFIZFB-FQEVSTJZSA-N -1 0 394.471 3.464 20 30 GGEDRM C=CCCC[C@H](NC(=O)c1cc2c([nH]1)c(Br)ccc2OC)C(=O)[O-] ZINC001588793255 984217766 /nfs/dbraw/zinc/21/77/66/984217766.db2.gz VDLMVXNDVHDAEG-LBPRGKRZSA-N -1 0 395.253 3.478 20 30 GGEDRM C=CCCC[C@@H](NC(=O)c1cn(-c2ccc(Br)cc2)cn1)C(=O)[O-] ZINC001588793564 984219880 /nfs/dbraw/zinc/21/98/80/984219880.db2.gz SSQYECMQKWMAKC-CQSZACIVSA-N -1 0 392.253 3.174 20 30 GGEDRM C=CCCC[C@@H](NC(=O)[C@H](NC(=O)c1ccc(Cl)s1)C(C)C)C(=O)[O-] ZINC001588793982 984223667 /nfs/dbraw/zinc/22/36/67/984223667.db2.gz HJUZHCLFXPPTBY-BXUZGUMPSA-N -1 0 386.901 3.082 20 30 GGEDRM C=CCCC[C@H](NC(=O)N1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1)c1ccccc1 ZINC001588794092 984224423 /nfs/dbraw/zinc/22/44/23/984224423.db2.gz LCWRUVRYEWOZKB-MSOLQXFVSA-N -1 0 397.479 3.420 20 30 GGEDRM C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@](C)(C(=O)[O-])c1ccccc1 ZINC001588794278 984225894 /nfs/dbraw/zinc/22/58/94/984225894.db2.gz PXGIFOYKNURJFM-IIBYNOLFSA-N -1 0 390.480 3.352 20 30 GGEDRM C=CCCC[C@H](NC(=O)[C@]12CCN(C(=O)OC(C)(C)C)[C@H]1CCCC2)C(=O)[O-] ZINC001588794579 984227967 /nfs/dbraw/zinc/22/79/67/984227967.db2.gz YVYNRRKYECZRQP-CKJXQJPGSA-N -1 0 394.512 3.482 20 30 GGEDRM C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1 ZINC001588794529 984228355 /nfs/dbraw/zinc/22/83/55/984228355.db2.gz XURQDPIYOWOXGX-VWKPWSFCSA-N -1 0 394.512 3.339 20 30 GGEDRM C=CCCC[C@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)[O-] ZINC001588797336 984229335 /nfs/dbraw/zinc/22/93/35/984229335.db2.gz CXAHWEHIWPNILP-ZDUSSCGKSA-N -1 0 375.406 3.258 20 30 GGEDRM C=CCCC[C@@H](NC(=O)c1nn(-c2ccc(C)cc2F)c2c1CCC2)C(=O)[O-] ZINC001588797485 984229953 /nfs/dbraw/zinc/22/99/53/984229953.db2.gz GDISCZVRJSDYGQ-MRXNPFEDSA-N -1 0 385.439 3.348 20 30 GGEDRM C=CCCC[C@@H](NC(=O)c1nn(-c2cc(F)cc(F)c2)c2c1CCC2)C(=O)[O-] ZINC001588797645 984230511 /nfs/dbraw/zinc/23/05/11/984230511.db2.gz IFBGIXNBTLVWBI-MRXNPFEDSA-N -1 0 389.402 3.179 20 30 GGEDRM C=CCCC[C@@H](NC(=O)c1csc([C@@H](C)NC(=O)OC(C)(C)C)n1)C(=O)[O-] ZINC001588798235 984234371 /nfs/dbraw/zinc/23/43/71/984234371.db2.gz YLSMWIBWNIQMRD-VXGBXAGGSA-N -1 0 397.497 3.268 20 30 GGEDRM C=CCCC[C@@H](NS(=O)(=O)c1c(Cl)cccc1Br)C(=O)[O-] ZINC001588798823 984238672 /nfs/dbraw/zinc/23/86/72/984238672.db2.gz RZJNQFDLVCKZJE-LLVKDONJSA-N -1 0 396.690 3.190 20 30 GGEDRM C=CCCCN(CC)S(=O)(=O)c1cc(Br)cc(C(=O)[O-])c1 ZINC001588801227 984244046 /nfs/dbraw/zinc/24/40/46/984244046.db2.gz AYJPBHOUQWFNMT-UHFFFAOYSA-N -1 0 376.272 3.124 20 30 GGEDRM C=CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](C(=O)[O-])C1 ZINC001588802229 984248338 /nfs/dbraw/zinc/24/83/38/984248338.db2.gz GFSHJNFQSSJEBW-HNNXBMFYSA-N -1 0 385.424 3.121 20 30 GGEDRM C=CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](C(=O)[O-])C1 ZINC001588802495 984249485 /nfs/dbraw/zinc/24/94/85/984249485.db2.gz PAGBBHOYNQIDFX-AWEZNQCLSA-N -1 0 375.860 3.261 20 30 GGEDRM C=CCCCn1c(-c2cn(C)c3ccccc23)nnc1N1CC[C@H](C(=O)[O-])C1 ZINC001588805569 984254033 /nfs/dbraw/zinc/25/40/33/984254033.db2.gz FJUKUDNGJDZHHQ-HNNXBMFYSA-N -1 0 379.464 3.314 20 30 GGEDRM C=CCCCn1c([C@H](CC)c2ccccc2)nnc1N1C[C@@H](CC(=O)[O-])[C@H](O)C1 ZINC001588805606 984254713 /nfs/dbraw/zinc/25/47/13/984254713.db2.gz HJUVORNIQXYWAP-GUDVDZBRSA-N -1 0 398.507 3.058 20 30 GGEDRM C=CCCCn1c(COc2ccccc2F)nnc1N1CCC[C@@H](C(=O)[O-])C1 ZINC001588805698 984255152 /nfs/dbraw/zinc/25/51/52/984255152.db2.gz LXUVGNLULXQOQF-OAHLLOKOSA-N -1 0 388.443 3.263 20 30 GGEDRM C=CCCCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H](C(=O)[O-])C1 ZINC001588805833 984256037 /nfs/dbraw/zinc/25/60/37/984256037.db2.gz PSOWOQUVNNOPGM-OAHLLOKOSA-N -1 0 388.443 3.263 20 30 GGEDRM C=CCCCS(=O)(=O)N[C@@](C)(CC(=O)[O-])c1ccc(Br)cc1 ZINC001588805875 984256719 /nfs/dbraw/zinc/25/67/19/984256719.db2.gz RHHGGMGQSJSLON-HNNXBMFYSA-N -1 0 390.299 3.025 20 30 GGEDRM C=CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](C(=O)[O-])C1 ZINC001588805973 984257613 /nfs/dbraw/zinc/25/76/13/984257613.db2.gz WEWZWINEVNILIX-CQSZACIVSA-N -1 0 375.860 3.261 20 30 GGEDRM C=CCCN(OCc1ccccc1)C(=O)N[C@@H]1CCOC2(CC(C(=O)[O-])C2)C1 ZINC001588807857 984261952 /nfs/dbraw/zinc/26/19/52/984261952.db2.gz ZZUSHJQKEPCKRE-IDYZSHNDSA-N -1 0 388.464 3.118 20 30 GGEDRM C=CCCO[C@H](C)C(=O)N(C)[C@@H](C(=O)[O-])c1ccc(Br)s1 ZINC001588809050 984264593 /nfs/dbraw/zinc/26/45/93/984264593.db2.gz XFBIBOCPNJJRAD-BXKDBHETSA-N -1 0 376.272 3.076 20 30 GGEDRM C=CCCOCCn1c(-c2ccc(CC)cc2)nnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001588813601 984270266 /nfs/dbraw/zinc/27/02/66/984270266.db2.gz WVFQPFNWUWNNQS-GOSISDBHSA-N -1 0 384.480 3.011 20 30 GGEDRM C=CCCOCCn1c(-c2ccc(CC)cc2)nnc1N1CC[C@H](C(=O)[O-])C1 ZINC001588813604 984270356 /nfs/dbraw/zinc/27/03/56/984270356.db2.gz WVFQPFNWUWNNQS-SFHVURJKSA-N -1 0 384.480 3.011 20 30 GGEDRM C=CCCc1ccccc1NS(=O)(=O)c1ccc(OCCC(=O)[O-])cc1 ZINC001588817150 984274612 /nfs/dbraw/zinc/27/46/12/984274612.db2.gz AIMKIKWAUACCKS-UHFFFAOYSA-N -1 0 375.446 3.460 20 30 GGEDRM C=CCCn1cc([C@@H]2NC(=O)N(c3ccc(C)cc3C)C(C)=C2C(=O)[O-])nn1 ZINC001588817627 984277225 /nfs/dbraw/zinc/27/72/25/984277225.db2.gz QXABPKSPZUZDEB-SFHVURJKSA-N -1 0 381.436 3.101 20 30 GGEDRM C=CCCn1cc([C@H]2NC(=O)N(c3ccc(C)cc3C)C(C)=C2C(=O)[O-])nn1 ZINC001588817626 984277237 /nfs/dbraw/zinc/27/72/37/984277237.db2.gz QXABPKSPZUZDEB-GOSISDBHSA-N -1 0 381.436 3.101 20 30 GGEDRM C=CCN(C(=O)C(=O)Nc1ccc(Cl)cc1SCCC(=O)[O-])C(C)C ZINC001588819960 984280000 /nfs/dbraw/zinc/28/00/00/984280000.db2.gz KKMIYLXTLJBSJX-UHFFFAOYSA-N -1 0 384.885 3.268 20 30 GGEDRM C=CCN(C(=O)/C=C\c1cc(C(=O)[O-])co1)[C@@H](Cc1ccccc1)C(=O)OCC ZINC001588820186 984283056 /nfs/dbraw/zinc/28/30/56/984283056.db2.gz VKNNLLCWXXUCTL-GDWUOILNSA-N -1 0 397.427 3.180 20 30 GGEDRM C=CCN(C(=O)c1oc(C(=O)[O-])cc1C)[C@@H](Cc1ccccc1)C(=O)OCC ZINC001588820438 984283986 /nfs/dbraw/zinc/28/39/86/984283986.db2.gz CGVYBDPMSBNDFL-INIZCTEOSA-N -1 0 385.416 3.089 20 30 GGEDRM C=CCN(C(=O)c1ccc(/C=C\C(=O)[O-])o1)[C@@H](Cc1ccccc1)C(=O)OCC ZINC001588820505 984284595 /nfs/dbraw/zinc/28/45/95/984284595.db2.gz GYHKFRRNAUNHJU-LVWOJMJRSA-N -1 0 397.427 3.180 20 30 GGEDRM C=CCN(C(=O)c1ccc(/C=C/C(=O)[O-])o1)[C@@H](Cc1ccccc1)C(=O)OCC ZINC001588820506 984284633 /nfs/dbraw/zinc/28/46/33/984284633.db2.gz GYHKFRRNAUNHJU-YLZCUGDYSA-N -1 0 397.427 3.180 20 30 GGEDRM C=CCN(C(=O)Cc1ccc(C(=O)[O-])cc1)[C@@H](Cc1ccccc1)C(=O)OCC ZINC001588820489 984284995 /nfs/dbraw/zinc/28/49/95/984284995.db2.gz GIQVIYKAJYLBMP-FQEVSTJZSA-N -1 0 395.455 3.116 20 30 GGEDRM C=CCN(Cc1ccccc1F)C(=O)NCCc1ccc(C(=O)[O-])cc1OC ZINC001588831697 984316364 /nfs/dbraw/zinc/31/63/64/984316364.db2.gz JZQKLERPMUMIIP-UHFFFAOYSA-N -1 0 386.423 3.473 20 30 GGEDRM C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc2cnn(CC(=O)[O-])c2c1 ZINC001588832881 984327641 /nfs/dbraw/zinc/32/76/41/984327641.db2.gz VAUKZZVEQUNELY-UHFFFAOYSA-N -1 0 389.415 3.213 20 30 GGEDRM CCOC(=O)[C@@H](Cc1cccc(Cl)c1)N[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC001596533691 984352374 /nfs/dbraw/zinc/35/23/74/984352374.db2.gz AABXNCYGRHNASK-QZTJIDSGSA-N -1 0 386.835 3.101 20 30 GGEDRM C=CCNc1ncc(C(=O)N[C@@H](c2ccc(C(=O)[O-])cc2)C(F)(F)F)s1 ZINC001588849229 984369526 /nfs/dbraw/zinc/36/95/26/984369526.db2.gz FFYZGBMIYUBRQS-LBPRGKRZSA-N -1 0 385.367 3.473 20 30 GGEDRM C=CCNc1ncc(C(=O)N2C[C@@H](c3ccc(Cl)cc3)[C@H](C(=O)[O-])C2)s1 ZINC001588849435 984371556 /nfs/dbraw/zinc/37/15/56/984371556.db2.gz QMAVRWQULZWEJZ-UONOGXRCSA-N -1 0 391.880 3.335 20 30 GGEDRM C=CCOC[C@@H](NC(=O)/C(=C\c1ccc(F)cc1)c1cccs1)C(=O)[O-] ZINC001588850834 984380337 /nfs/dbraw/zinc/38/03/37/984380337.db2.gz GZKCYEADIOMVCN-UVQBRAAOSA-N -1 0 375.421 3.200 20 30 GGEDRM C=CCOC[C@H](NC(=O)[C@H]1CCCC[C@H]1c1nc2ccccc2s1)C(=O)[O-] ZINC001588855223 984391575 /nfs/dbraw/zinc/39/15/75/984391575.db2.gz DKIOADWDUNQXJQ-LZWOXQAQSA-N -1 0 388.489 3.342 20 30 GGEDRM C=CCOC[C@@H](NC(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1O)C(=O)[O-] ZINC001588859430 984405392 /nfs/dbraw/zinc/40/53/92/984405392.db2.gz LGMUDRFGMTWINR-MRXNPFEDSA-N -1 0 377.481 3.373 20 30 GGEDRM C=CCOC[C@@H](NC(=O)c1sc(-c2cccc(Cl)c2)nc1C)C(=O)[O-] ZINC001588859905 984409186 /nfs/dbraw/zinc/40/91/86/984409186.db2.gz AWCBYOZPBMPHKW-CYBMUJFWSA-N -1 0 380.853 3.158 20 30 GGEDRM C=CCOC[C@H](NC(=O)c1cn(Cc2ccccc2)c2ccccc12)C(=O)[O-] ZINC001588860181 984411143 /nfs/dbraw/zinc/41/11/43/984411143.db2.gz LQGRBEHOTXVPRS-IBGZPJMESA-N -1 0 378.428 3.075 20 30 GGEDRM C=CCOC[C@H](NC(=O)c1sc(C)cc1OCc1ccccc1)C(=O)[O-] ZINC001588860187 984411183 /nfs/dbraw/zinc/41/11/83/984411183.db2.gz LUMWQRQVKYHEIV-HNNXBMFYSA-N -1 0 375.446 3.021 20 30 GGEDRM C=CCOC[C@H](NC(=O)c1oc2c(cc(Br)cc2C)c1C)C(=O)[O-] ZINC001588860558 984414031 /nfs/dbraw/zinc/41/40/31/984414031.db2.gz YLRVPPGCPHJAER-ZDUSSCGKSA-N -1 0 396.237 3.198 20 30 GGEDRM C=CCOC[C@H](NC(=O)c1ccc(COc2ccc(Cl)cc2)cc1)C(=O)[O-] ZINC001588861716 984415980 /nfs/dbraw/zinc/41/59/80/984415980.db2.gz KVWGPNUSDAHLDW-SFHVURJKSA-N -1 0 389.835 3.305 20 30 GGEDRM C=CCOC[C@H](NC(=O)c1ccc(Oc2ccc(C(C)=O)cc2)cc1)C(=O)[O-] ZINC001588861709 984415987 /nfs/dbraw/zinc/41/59/87/984415987.db2.gz KRTOCDZVNXTXHQ-IBGZPJMESA-N -1 0 383.400 3.067 20 30 GGEDRM C=CCOC[C@H](NC(=O)c1ccc2c(ccn2Cc2ccccc2)c1)C(=O)[O-] ZINC001588861707 984416009 /nfs/dbraw/zinc/41/60/09/984416009.db2.gz KRCIWCVGWXWWFF-IBGZPJMESA-N -1 0 378.428 3.075 20 30 GGEDRM C=CCOC[C@H](NC(=O)c1ccccc1CSc1nc(C)cs1)C(=O)[O-] ZINC001588862129 984417435 /nfs/dbraw/zinc/41/74/35/984417435.db2.gz QSBIYGVMOWPZTC-HNNXBMFYSA-N -1 0 392.502 3.129 20 30 GGEDRM C=CCOc1ccc(C(=O)N[C@H](Cc2cc3ccccc3o2)C(=O)[O-])cc1OC ZINC001588869505 984439271 /nfs/dbraw/zinc/43/92/71/984439271.db2.gz GPEGGCPAHKJFMN-QGZVFWFLSA-N -1 0 395.411 3.432 20 30 GGEDRM C=CCOc1ccc(Br)cc1NC(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1 ZINC001588869709 984440860 /nfs/dbraw/zinc/44/08/60/984440860.db2.gz WUCLPWAJQDDVOU-MOCULFSLSA-N -1 0 395.253 3.389 20 30 GGEDRM C=CCOc1ccc(C(=O)N[C@H](C)c2ccc(OCC(=O)[O-])cc2)cc1OC ZINC001588869729 984440895 /nfs/dbraw/zinc/44/08/95/984440895.db2.gz XLSCIDASLXXEBX-CQSZACIVSA-N -1 0 385.416 3.214 20 30 GGEDRM C=CCOc1ccc(CNC(=O)N2CC[C@@H](c3ncc(C(=O)[O-])s3)C2)cc1 ZINC001588873952 984446514 /nfs/dbraw/zinc/44/65/14/984446514.db2.gz OMUBPMXWQIPYSQ-CQSZACIVSA-N -1 0 387.461 3.105 20 30 GGEDRM C=CCOc1ccc(CNC(=O)N2CC[C@H](c3ncc(C(=O)[O-])s3)C2)cc1 ZINC001588873951 984446537 /nfs/dbraw/zinc/44/65/37/984446537.db2.gz OMUBPMXWQIPYSQ-AWEZNQCLSA-N -1 0 387.461 3.105 20 30 GGEDRM C=CCOc1ccc(/C=C\C(=O)N[C@H](C)c2ncc(C(=O)[O-])s2)cc1OC ZINC001588875029 984450563 /nfs/dbraw/zinc/45/05/63/984450563.db2.gz RAOVVHBTHNNBBT-XYLWRLHESA-N -1 0 388.445 3.305 20 30 GGEDRM C=CCOc1ccccc1Cn1c(C2CC2)nnc1N1CCC[C@@H](C(=O)[O-])C1 ZINC001588877221 984452232 /nfs/dbraw/zinc/45/22/32/984452232.db2.gz CTWQXQGBYGINMX-QGZVFWFLSA-N -1 0 382.464 3.070 20 30 GGEDRM C=CCOc1cccnc1C(=O)Nc1cc(C(=O)[O-])c(NC(C)=O)cc1Cl ZINC001588877371 984452724 /nfs/dbraw/zinc/45/27/24/984452724.db2.gz KSCWXKBIFMWZMP-UHFFFAOYSA-N -1 0 389.795 3.209 20 30 GGEDRM C=CCSc1ccccc1C(=O)N1CCC(O)(C2(C(=O)[O-])CCC2)CC1 ZINC001588879515 984457894 /nfs/dbraw/zinc/45/78/94/984457894.db2.gz CIBDHPGMHFEVFN-UHFFFAOYSA-N -1 0 375.490 3.187 20 30 GGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)[C@@H](C)OC[C@@H]1CCCCO1 ZINC001588881881 984461031 /nfs/dbraw/zinc/46/10/31/984461031.db2.gz GLBREOYRFBBCJH-CJNGLKHVSA-N -1 0 378.421 3.002 20 30 GGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)[C@@H]1CC(=O)N(C)c2ccccc21 ZINC001588881652 984461083 /nfs/dbraw/zinc/46/10/83/984461083.db2.gz DJTRFKDIZSNXQB-MRXNPFEDSA-N -1 0 395.411 3.178 20 30 GGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)C1CCN(CC(F)F)CC1 ZINC001588881930 984461621 /nfs/dbraw/zinc/46/16/21/984461621.db2.gz HURLEZMBHBHOBG-UHFFFAOYSA-N -1 0 383.391 3.004 20 30 GGEDRM C=CCc1cc(C(=O)N2CCc3c(F)ccc(C(=O)[O-])c3C2)cc(OC)c1OC ZINC001588882202 984462551 /nfs/dbraw/zinc/46/25/51/984462551.db2.gz NMFGSRPENMOAHH-UHFFFAOYSA-N -1 0 399.418 3.468 20 30 GGEDRM C=CCc1cc(C(=O)Nc2cnc(C(=O)[O-])c(Cl)c2)cc(OC)c1OC ZINC001588882353 984462691 /nfs/dbraw/zinc/46/26/91/984462691.db2.gz OOTKRYQLQMMZAJ-UHFFFAOYSA-N -1 0 376.796 3.431 20 30 GGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)[C@@H](OC)c1cccc(OC)c1 ZINC001588882513 984463536 /nfs/dbraw/zinc/46/35/36/984463536.db2.gz XBZIETOGJDEFBE-IBGZPJMESA-N -1 0 386.400 3.424 20 30 GGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)[C@H]1CC(c2ccccc2)=NO1 ZINC001588882538 984464040 /nfs/dbraw/zinc/46/40/40/984464040.db2.gz XVVBUMCSMKSYKH-GOSISDBHSA-N -1 0 381.384 3.221 20 30 GGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)COCc1cccc(OC)c1 ZINC001588882576 984464056 /nfs/dbraw/zinc/46/40/56/984464056.db2.gz 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C[C@H]1CN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C[C@@H](C(=O)[O-])O1 ZINC001599922548 985156103 /nfs/dbraw/zinc/15/61/03/985156103.db2.gz UXPNKABLBQNNHQ-UGSOOPFHSA-N -1 0 381.388 3.056 20 30 GGEDRM C[C@H]1CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)CC[C@H]1C(=O)[O-] ZINC001599922556 985156469 /nfs/dbraw/zinc/15/64/69/985156469.db2.gz VGUOVPFXXCGARL-SUMWQHHRSA-N -1 0 380.404 3.320 20 30 GGEDRM C[C@H]1CN(C(=O)c2ccccc2Sc2ccccc2C#N)C[C@@H](C(=O)[O-])O1 ZINC001599925569 985194901 /nfs/dbraw/zinc/19/49/01/985194901.db2.gz VSVGYVKJSWSOLR-BBRMVZONSA-N -1 0 382.441 3.024 20 30 GGEDRM C[C@H]1CN(c2nnc(C(C)(C)CC#N)n2Cc2ccccc2)C[C@]1(C)C(=O)[O-] ZINC001599934551 985372915 /nfs/dbraw/zinc/37/29/15/985372915.db2.gz GURBJYDKQDCTDX-BTYIYWSLSA-N -1 0 381.480 3.065 20 30 GGEDRM Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001599940376 985447575 /nfs/dbraw/zinc/44/75/75/985447575.db2.gz INEYNERWGLRFQO-UHFFFAOYSA-N -1 0 391.786 3.338 20 30 GGEDRM Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCCCc2cc(C(=O)[O-])ccc21 ZINC001599940545 985449364 /nfs/dbraw/zinc/44/93/64/985449364.db2.gz KXBHEYIIDPFCFY-UHFFFAOYSA-N -1 0 393.443 3.276 20 30 GGEDRM Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC001599940769 985451773 /nfs/dbraw/zinc/45/17/73/985451773.db2.gz RHXQMMBIBZBXPK-LBPRGKRZSA-N -1 0 381.432 3.110 20 30 GGEDRM Cc1[nH]c(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)c(C)c1C(=O)[O-] ZINC001599954436 985663460 /nfs/dbraw/zinc/66/34/60/985663460.db2.gz GMEFZNPJICASTP-UHFFFAOYSA-N -1 0 383.795 3.293 20 30 GGEDRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N ZINC001599956454 985696728 /nfs/dbraw/zinc/69/67/28/985696728.db2.gz CMTCDGSHGXYBRM-UHFFFAOYSA-N -1 0 394.431 3.165 20 30 GGEDRM CC(=O)c1[nH]c(CC(=O)[C@@H](C#N)c2ncc(C(C)(C)C)s2)c(C(=O)[O-])c1C ZINC001589235020 985793993 /nfs/dbraw/zinc/79/39/93/985793993.db2.gz YLSZNSRREBDHFT-LLVKDONJSA-N -1 0 387.461 3.397 20 30 GGEDRM CCOCCCN(C[C@@H](C)C(=O)[O-])C(=O)C1(c2ccc(C#N)cc2)CCCC1 ZINC001596908541 985911268 /nfs/dbraw/zinc/91/12/68/985911268.db2.gz ZLGUWLCAHXJQKG-QGZVFWFLSA-N -1 0 386.492 3.346 20 30 GGEDRM Cc1c(C#N)cccc1C(=O)N[C@@](C)(C(=O)[O-])c1cccc(Br)c1 ZINC001599973165 986043378 /nfs/dbraw/zinc/04/33/78/986043378.db2.gz KTPMPTXBOYUSJU-GOSISDBHSA-N -1 0 387.233 3.359 20 30 GGEDRM Cc1c(C#N)cccc1C(=O)N[C@](C)(C(=O)[O-])c1cccc(Br)c1 ZINC001599973166 986043788 /nfs/dbraw/zinc/04/37/88/986043788.db2.gz KTPMPTXBOYUSJU-SFHVURJKSA-N -1 0 387.233 3.359 20 30 GGEDRM Cc1c(C#N)cccc1C(=O)N1Cc2cccc(Br)c2C[C@@H]1C(=O)[O-] ZINC001599973174 986043880 /nfs/dbraw/zinc/04/38/80/986043880.db2.gz LDXRIVKPAIZBJF-QGZVFWFLSA-N -1 0 399.244 3.281 20 30 GGEDRM Cc1c(C(=O)/C=C\c2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)cccc1[N+](=O)[O-] ZINC001599975036 986075746 /nfs/dbraw/zinc/07/57/46/986075746.db2.gz PVSIXTNNCFOBAB-ALCCZGGFSA-N -1 0 386.316 3.171 20 30 GGEDRM C[C@@H](C#N)CN(C(=O)Nc1cc(Br)c(F)c(C(=O)[O-])c1)C1CC1 ZINC001589329486 986163270 /nfs/dbraw/zinc/16/32/70/986163270.db2.gz OEGVIDKYADVFQQ-QMMMGPOBSA-N -1 0 384.205 3.442 20 30 GGEDRM C[C@@H](C#N)CN(Cn1ncc2c1ccc(Br)c2C(=O)[O-])C1CC1 ZINC001589330511 986173589 /nfs/dbraw/zinc/17/35/89/986173589.db2.gz HTNKUOKKEDBHKB-JTQLQIEISA-N -1 0 377.242 3.079 20 30 GGEDRM C[C@@H](C#N)CSc1ccccc1NC(=O)CN[C@](C)(C(=O)[O-])c1ccccc1 ZINC001589331801 986192590 /nfs/dbraw/zinc/19/25/90/986192590.db2.gz PMJCOTCQOAKVDB-BTYIYWSLSA-N -1 0 397.500 3.466 20 30 GGEDRM C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H]1CCCn2nc(C(=O)[O-])cc21 ZINC001589332036 986195393 /nfs/dbraw/zinc/19/53/93/986195393.db2.gz WFWWGTCCJYGSCP-QWHCGFSZSA-N -1 0 399.476 3.490 20 30 GGEDRM C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H]1CCCn2nc(C(=O)[O-])cc21 ZINC001589332035 986195851 /nfs/dbraw/zinc/19/58/51/986195851.db2.gz WFWWGTCCJYGSCP-OLZOCXBDSA-N -1 0 399.476 3.490 20 30 GGEDRM Cc1c(C(=O)[O-])c2cc(OS(=O)(=O)c3ccc(CCC#N)cc3)ccc2n1C ZINC001599984695 986213284 /nfs/dbraw/zinc/21/32/84/986213284.db2.gz ZETDUESJHDHAPI-UHFFFAOYSA-N -1 0 398.440 3.409 20 30 GGEDRM C[C@@H](C#N)Oc1ccccc1NC(=O)N1C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C1 ZINC001589335929 986215910 /nfs/dbraw/zinc/21/59/10/986215910.db2.gz UXMXIBSCIUQSSD-TUAOUCFPSA-N -1 0 385.342 3.094 20 30 GGEDRM C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CCc2c(cccc2C(=O)[O-])C1 ZINC001589341592 986253012 /nfs/dbraw/zinc/25/30/12/986253012.db2.gz HYIAMXXFXGFQMG-INIZCTEOSA-N -1 0 377.444 3.078 20 30 GGEDRM C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCc2cccc(C(=O)[O-])c2C1 ZINC001589342124 986264095 /nfs/dbraw/zinc/26/40/95/986264095.db2.gz USOXPNLELZLHLG-MRXNPFEDSA-N -1 0 377.444 3.078 20 30 GGEDRM CCOc1cc(C(=O)N(C)[C@@H](C)c2cccc(C#N)c2)ccc1OCC(=O)[O-] ZINC001596993421 986281883 /nfs/dbraw/zinc/28/18/83/986281883.db2.gz ADOHYISBEAGVKS-AWEZNQCLSA-N -1 0 382.416 3.254 20 30 GGEDRM CCOc1cc(C#N)cc(Br)c1OC(=O)c1csc(C(=O)[O-])n1 ZINC001596993518 986284523 /nfs/dbraw/zinc/28/45/23/986284523.db2.gz IDJQFDDKSSVAEV-UHFFFAOYSA-N -1 0 397.206 3.093 20 30 GGEDRM CCOc1cc(Br)ccc1NC(=O)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001596993653 986286914 /nfs/dbraw/zinc/28/69/14/986286914.db2.gz PQMYKNJOIAVTDJ-UHFFFAOYSA-N -1 0 396.241 3.070 20 30 GGEDRM CCOc1cc(C#N)ccc1OC(=O)c1cc(C(=O)[O-])nn1-c1ccccc1 ZINC001596993715 986288381 /nfs/dbraw/zinc/28/83/81/986288381.db2.gz UCWJFWOVUZGTET-UHFFFAOYSA-N -1 0 377.356 3.060 20 30 GGEDRM C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)cc2C(=O)[O-])CC[C@H]1c1ccccc1 ZINC001594555841 986291620 /nfs/dbraw/zinc/29/16/20/986291620.db2.gz ZQSLWRITBGPFHV-RHSMWYFYSA-N -1 0 384.457 3.071 20 30 GGEDRM C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1C(=O)Nc1ccc(CC#N)cc1 ZINC001594566536 986352519 /nfs/dbraw/zinc/35/25/19/986352519.db2.gz CITNHZZHHAXRCZ-HNNXBMFYSA-N -1 0 378.432 3.193 20 30 GGEDRM C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC001594566886 986355393 /nfs/dbraw/zinc/35/53/93/986355393.db2.gz DHPSGKLXUTZUMP-INIZCTEOSA-N -1 0 389.455 3.291 20 30 GGEDRM CCOc1cc(C(=O)[O-])ccc1NC(=O)N(C)CCOCc1ccc(C#N)cc1 ZINC001597016054 986373872 /nfs/dbraw/zinc/37/38/72/986373872.db2.gz YRPBNAFNKKGEGE-UHFFFAOYSA-N -1 0 397.431 3.336 20 30 GGEDRM C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1C(=O)c1[nH]c2ccccc2c1C#N ZINC001594569779 986383564 /nfs/dbraw/zinc/38/35/64/986383564.db2.gz RZRIIUXPEYXTJI-AWEZNQCLSA-N -1 0 388.427 3.089 20 30 GGEDRM C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1c1cc(C(F)(F)F)cc(C#N)n1 ZINC001594569936 986385375 /nfs/dbraw/zinc/38/53/75/986385375.db2.gz SMHBMWYEELOAMO-GFCCVEGCSA-N -1 0 390.365 3.385 20 30 GGEDRM CCOc1cc2c(cc1[C@@H]1C[C@@H]1Nc1ccc(C(=O)[O-])nc1C#N)O[C@H](C)C2 ZINC001597044766 986505338 /nfs/dbraw/zinc/50/53/38/986505338.db2.gz PLHMAZYALGVWLQ-ZUCKAHLUSA-N -1 0 379.416 3.342 20 30 GGEDRM CCOc1ccc(-c2nc(C)c(C(=O)N3CCC(C#N)(C(=O)[O-])CC3)s2)cc1 ZINC001597049283 986519173 /nfs/dbraw/zinc/51/91/73/986519173.db2.gz IHAJGBAVIYRHBS-UHFFFAOYSA-N -1 0 399.472 3.348 20 30 GGEDRM CCOc1ccc(C#N)cc1NC(=O)c1cc(C(=O)[O-])nn1-c1ccccc1 ZINC001597055731 986533793 /nfs/dbraw/zinc/53/37/93/986533793.db2.gz GYYONGAEFXVHDX-UHFFFAOYSA-N -1 0 376.372 3.093 20 30 GGEDRM CCOc1ccc(C#N)cc1NC(=O)N1CCOc2c(cccc2C(=O)[O-])C1 ZINC001597055680 986533839 /nfs/dbraw/zinc/53/38/39/986533839.db2.gz FDOONBRICKOHHY-UHFFFAOYSA-N -1 0 381.388 3.082 20 30 GGEDRM CCOc1ccc(C#N)cc1NC(=O)N1CC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC001597056110 986540340 /nfs/dbraw/zinc/54/03/40/986540340.db2.gz RHZPKPDLVATESQ-LBPRGKRZSA-N -1 0 386.433 3.133 20 30 GGEDRM CCOc1ccc(C#N)cc1NC(=O)N1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC001597056146 986540618 /nfs/dbraw/zinc/54/06/18/986540618.db2.gz UKMSAJWAGXERLC-OAQYLSRUSA-N -1 0 379.416 3.217 20 30 GGEDRM CCOc1ccc(C#N)cc1NC(=O)N[C@H](C)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001597056161 986540898 /nfs/dbraw/zinc/54/08/98/986540898.db2.gz VIRKSHKMDCFUFU-RHSMWYFYSA-N -1 0 381.432 3.410 20 30 GGEDRM C[C@H]1COCC[C@H]1NC(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC001594603671 986553433 /nfs/dbraw/zinc/55/34/33/986553433.db2.gz KXKLSKYGNVOGIS-MGPUTAFESA-N -1 0 378.428 3.331 20 30 GGEDRM CCOc1ccc(C[C@@H](CNC(=O)[C@@H](CC#N)c2ccccc2)C(=O)[O-])cc1 ZINC001597084345 986641647 /nfs/dbraw/zinc/64/16/47/986641647.db2.gz DXXUTYLDGYEJNP-ICSRJNTNSA-N -1 0 380.444 3.142 20 30 GGEDRM CCOc1ccc(C[C@H](CNC(=O)[C@H](CC#N)c2ccccc2)C(=O)[O-])cc1 ZINC001597084347 986641759 /nfs/dbraw/zinc/64/17/59/986641759.db2.gz DXXUTYLDGYEJNP-UYAOXDASSA-N -1 0 380.444 3.142 20 30 GGEDRM CCOc1ccc(C[C@H](CNC(=O)C(C)(C)c2ccc(C#N)cc2)C(=O)[O-])cc1 ZINC001597085041 986646732 /nfs/dbraw/zinc/64/67/32/986646732.db2.gz MFSAYJDABVWXKX-GOSISDBHSA-N -1 0 394.471 3.294 20 30 GGEDRM CCOc1ccc(C[C@@H](CNC(=O)c2ccccc2SCC#N)C(=O)[O-])cc1 ZINC001597088560 986663835 /nfs/dbraw/zinc/66/38/35/986663835.db2.gz IMTHRVSINKIHDC-INIZCTEOSA-N -1 0 398.484 3.374 20 30 GGEDRM C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCc2cc(C(=O)[O-])ccc2C1 ZINC001589448398 986822141 /nfs/dbraw/zinc/82/21/41/986822141.db2.gz ITUDVAJFXNXKBW-GFCCVEGCSA-N -1 0 395.484 3.192 20 30 GGEDRM C[C@H](C(=O)[O-])[C@H](NC(=O)Nc1ncccc1OCCCC#N)c1ccccc1 ZINC001589461913 986914013 /nfs/dbraw/zinc/91/40/13/986914013.db2.gz INVOHIAFANHUPY-YOEHRIQHSA-N -1 0 382.420 3.348 20 30 GGEDRM CCOc1ccccc1[C@H](CC)NS(=O)(=O)c1ccc(C#N)cc1C(=O)[O-] ZINC001597173452 987018015 /nfs/dbraw/zinc/01/80/15/987018015.db2.gz VYKHIQZWISKTHP-INIZCTEOSA-N -1 0 388.445 3.085 20 30 GGEDRM C/C=C\c1ccc(OCC(=O)OCc2cccc(C(=O)[O-])c2C#N)c(OC)c1 ZINC001594691236 987088668 /nfs/dbraw/zinc/08/86/68/987088668.db2.gz GXICRZPXWWZEAU-HYXAFXHYSA-N -1 0 381.384 3.420 20 30 GGEDRM C[C@H](C(=O)[O-])c1ccc(NC(=O)N2CCN(c3cccc(F)c3C#N)CC2)cc1 ZINC001589511104 987138114 /nfs/dbraw/zinc/13/81/14/987138114.db2.gz ZARWXQROMKBWQO-AWEZNQCLSA-N -1 0 396.422 3.240 20 30 GGEDRM CC[C@H](C#N)Oc1cc(CNC(=O)c2ccc(C)c(C(=O)[O-])c2)ccc1OC ZINC001594724678 987221580 /nfs/dbraw/zinc/22/15/80/987221580.db2.gz APLHWLCZVLVMBQ-MRXNPFEDSA-N -1 0 382.416 3.313 20 30 GGEDRM CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(CC(=O)[O-])c(F)c2)c1 ZINC001594724737 987222806 /nfs/dbraw/zinc/22/28/06/987222806.db2.gz CDDNHLPCERMFGC-INIZCTEOSA-N -1 0 385.395 3.455 20 30 GGEDRM CC[C@@H](C#N)Oc1cccc(CNC(=O)NCc2ccc(C(=O)[O-])c(OC)c2)c1 ZINC001594725147 987227249 /nfs/dbraw/zinc/22/72/49/987227249.db2.gz MRVZXMSFENJZBU-INIZCTEOSA-N -1 0 397.431 3.074 20 30 GGEDRM CC[C@H](C#N)Oc1cc(CN[C@@H](C)c2ncc(C(=O)[O-])s2)ccc1OC ZINC001594725429 987230882 /nfs/dbraw/zinc/23/08/82/987230882.db2.gz WLUSBOHAYYBZMN-WCQYABFASA-N -1 0 375.450 3.382 20 30 GGEDRM CC(C)(C#N)c1ccc(S(=O)(=O)NC[C@@H](C(=O)[O-])C2CCCCCC2)cc1 ZINC001589558018 987308461 /nfs/dbraw/zinc/30/84/61/987308461.db2.gz KTJHKKNUNIFOGL-GOSISDBHSA-N -1 0 392.521 3.437 20 30 GGEDRM CC(C)(C#N)Cc1nnc(N2CCc3cccc(C(=O)[O-])c3C2)n1CC1CC1 ZINC001589558870 987311067 /nfs/dbraw/zinc/31/10/67/987311067.db2.gz VEGOSJJNJZVJLL-UHFFFAOYSA-N -1 0 379.464 3.041 20 30 GGEDRM CC(C)(C(=O)N(CC#N)CCC(=O)[O-])c1csc(-c2c(F)cccc2F)n1 ZINC001589560572 987314798 /nfs/dbraw/zinc/31/47/98/987314798.db2.gz HJFUOJUVPBHVPJ-UHFFFAOYSA-N -1 0 393.415 3.193 20 30 GGEDRM CCSc1cccc([C@@H]2NC(=S)NC(C(=O)[O-])=C2C(=O)c2ccco2)c1 ZINC001597273064 987325976 /nfs/dbraw/zinc/32/59/76/987325976.db2.gz QBGDJRRQWWWKMC-AWEZNQCLSA-N -1 0 388.470 3.132 20 30 GGEDRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)Cc2ccc(Br)cc2C#N)C1 ZINC001589605048 987447634 /nfs/dbraw/zinc/44/76/34/987447634.db2.gz BPAIUQDAPVFMBC-AWEZNQCLSA-N -1 0 393.281 3.213 20 30 GGEDRM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)Nc2ccc(Br)c(C#N)n2)C1 ZINC001589611348 987462942 /nfs/dbraw/zinc/46/29/42/987462942.db2.gz GRPUEGBAMBJHHK-JTQLQIEISA-N -1 0 395.257 3.070 20 30 GGEDRM CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)Nc2ccc(Br)c(C#N)n2)C1 ZINC001589611349 987462957 /nfs/dbraw/zinc/46/29/57/987462957.db2.gz GRPUEGBAMBJHHK-SNVBAGLBSA-N -1 0 395.257 3.070 20 30 GGEDRM CCc1[nH]c(CN2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)cc1C(=O)[O-] ZINC001597387241 987614142 /nfs/dbraw/zinc/61/41/42/987614142.db2.gz YGMIWNCZOHMNKW-LJQANCHMSA-N -1 0 386.883 3.311 20 30 GGEDRM CC(C)(C(=O)[O-])c1csc(NC(=O)NCc2ccc(C#N)c(Cl)c2)n1 ZINC001589655669 987617787 /nfs/dbraw/zinc/61/77/87/987617787.db2.gz FLVLBWUERNPLHS-UHFFFAOYSA-N -1 0 378.841 3.352 20 30 GGEDRM CCc1cc(C(=O)[O-])c(NC(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)s1 ZINC001597443560 987809605 /nfs/dbraw/zinc/80/96/05/987809605.db2.gz NFWLLNKPQLNLME-MRXNPFEDSA-N -1 0 385.445 3.486 20 30 GGEDRM CC(C)(C)[C@@H](COc1ccccc1F)NC(=O)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001589712354 987845079 /nfs/dbraw/zinc/84/50/79/987845079.db2.gz UZQSIOWYRPXLGF-MRXNPFEDSA-N -1 0 391.443 3.019 20 30 GGEDRM CCc1cc(C(=O)[O-])ccc1NC(=O)N1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC001597456591 987863270 /nfs/dbraw/zinc/86/32/70/987863270.db2.gz IGWULPBUORICNP-IBGZPJMESA-N -1 0 379.416 3.424 20 30 GGEDRM CCc1cc(C(=O)[O-])ccc1NC(=O)Nc1cc(C#N)ccc1OCCOC ZINC001597463867 987894914 /nfs/dbraw/zinc/89/49/14/987894914.db2.gz GMVXVGARMGMGCY-UHFFFAOYSA-N -1 0 383.404 3.488 20 30 GGEDRM CCc1ccc(Br)c(NC(=O)N2CCC(C#N)(C(=O)[O-])CC2)c1 ZINC001597494922 988039359 /nfs/dbraw/zinc/03/93/59/988039359.db2.gz LTGAKTWGXBBYFG-UHFFFAOYSA-N -1 0 380.242 3.234 20 30 GGEDRM CC(C)(C)C[C@H](OC(=O)C1CCN(c2ccc(C#N)cc2F)CC1)C(=O)[O-] 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CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1CCCN2Cc1cccc(C(=O)[O-])c1C#N ZINC001590003414 988930390 /nfs/dbraw/zinc/93/03/90/988930390.db2.gz CFWBALDZRYYYPH-ROUUACIJSA-N -1 0 385.464 3.230 20 30 GGEDRM CC(C)(C)OC(=O)N1CC[C@]2(CCCN2Cc2cccc(C(=O)[O-])c2C#N)C1 ZINC001590005523 988952396 /nfs/dbraw/zinc/95/23/96/988952396.db2.gz WPERIJXRYZUUHY-OAQYLSRUSA-N -1 0 385.464 3.232 20 30 GGEDRM CC(C)(C)OC(=O)N1CCCN(Cc2ccc(Cl)cc2C#N)[C@@H](C(=O)[O-])C1 ZINC001590035212 989057599 /nfs/dbraw/zinc/05/75/99/989057599.db2.gz RRKUPBBKRUBRTF-MRXNPFEDSA-N -1 0 393.871 3.108 20 30 GGEDRM C[C@@H]1CN(C(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C#N)cc2)C[C@H]1C(=O)[O-] ZINC001599859244 989139874 /nfs/dbraw/zinc/13/98/74/989139874.db2.gz YOHINDIGHMVISR-CZUORRHYSA-N -1 0 395.463 3.226 20 30 GGEDRM CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)N[C@@H](CC(=O)[O-])C1CCCC1 ZINC001590124149 989346200 /nfs/dbraw/zinc/34/62/00/989346200.db2.gz GSSXLMYNNLVVAD-HOTGVXAUSA-N -1 0 395.500 3.113 20 30 GGEDRM CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC001590124574 989352573 /nfs/dbraw/zinc/35/25/73/989352573.db2.gz OQEJQJGCSSQAML-LBPRGKRZSA-N -1 0 397.378 3.189 20 30 GGEDRM CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)Nc1ccc(C(=O)[O-])s1 ZINC001590124817 989354484 /nfs/dbraw/zinc/35/44/84/989354484.db2.gz RLSYSVVJEPSVQP-NSHDSACASA-N -1 0 381.454 3.362 20 30 GGEDRM CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)Nc1cccc(F)c1C(=O)[O-] ZINC001590125035 989357785 /nfs/dbraw/zinc/35/77/85/989357785.db2.gz SSFQOJAOZVNCEE-ZDUSSCGKSA-N -1 0 379.388 3.050 20 30 GGEDRM CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001590125342 989359772 /nfs/dbraw/zinc/35/97/72/989359772.db2.gz VZIBZHABFRQACK-JKSUJKDBSA-N -1 0 395.500 3.067 20 30 GGEDRM C[C@H]1CC[C@@](NC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)(C(=O)[O-])CC1 ZINC001590125380 989361064 /nfs/dbraw/zinc/36/10/64/989361064.db2.gz WQSJJLJGDSJWQZ-AVYPCKFXSA-N -1 0 395.500 3.113 20 30 GGEDRM CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)Nc1ccc(C(=O)[O-])c(F)c1 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CN(C(=O)Cc1cccc(C#N)c1)[C@H](C(=O)[O-])c1ccc(Br)s1 ZINC001598036834 990264445 /nfs/dbraw/zinc/26/44/45/990264445.db2.gz PLUYAYQILNFFGK-HNNXBMFYSA-N -1 0 393.262 3.209 20 30 GGEDRM CN(C(=O)Nc1cc(C(=O)[O-])c(F)cc1Br)[C@@H]1CCC[C@H]1C#N ZINC001598056590 990317781 /nfs/dbraw/zinc/31/77/81/990317781.db2.gz PVYMFRDXFSBTGX-ISVAXAHUSA-N -1 0 384.205 3.442 20 30 GGEDRM CN(C(=O)c1ccc(C#N)cc1)[C@@H](C(=O)[O-])c1ccc(Br)s1 ZINC001598082871 990403618 /nfs/dbraw/zinc/40/36/18/990403618.db2.gz CWVWFYDKRRIXCB-CYBMUJFWSA-N -1 0 379.235 3.280 20 30 GGEDRM CN([C@@H](C(=O)[O-])c1cccc(Cl)c1Cl)S(=O)(=O)c1cccc(C#N)c1 ZINC001598103925 990479064 /nfs/dbraw/zinc/47/90/64/990479064.db2.gz ZSZJCQZJSRTSRG-OAHLLOKOSA-N -1 0 399.255 3.311 20 30 GGEDRM CC(C)(CNS(=O)(=O)c1ccc(C#N)cc1C(=O)[O-])c1ccc(Cl)cc1 ZINC001590765909 990569198 /nfs/dbraw/zinc/56/91/98/990569198.db2.gz GAAKMTFNZPYHGL-UHFFFAOYSA-N -1 0 392.864 3.166 20 30 GGEDRM CC(C)(CNS(=O)(=O)c1ccc(C#N)cc1C(=O)[O-])c1cccc(Cl)c1 ZINC001590766205 990570140 /nfs/dbraw/zinc/57/01/40/990570140.db2.gz NBOZBQXKIRIYNR-UHFFFAOYSA-N -1 0 392.864 3.166 20 30 GGEDRM CC(C)(O)[C@H]1CCN(C(=O)Nc2cccc(C#Cc3cccc(C(=O)[O-])c3)c2)C1 ZINC001590893308 990826100 /nfs/dbraw/zinc/82/61/00/990826100.db2.gz SLICQKCBRBTIAU-IBGZPJMESA-N -1 0 392.455 3.409 20 30 GGEDRM CC(C)[C@](C)(C#N)NC(=O)CNc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC001590960769 991054137 /nfs/dbraw/zinc/05/41/37/991054137.db2.gz IWKMAZRIGMZQOV-QHCPKHFHSA-N -1 0 389.455 3.251 20 30 GGEDRM CN(C)c1cc(C#N)cc(C(=O)N[C@@H](C[C@H]2CCCc3ccccc32)C(=O)[O-])c1 ZINC001598287696 991190236 /nfs/dbraw/zinc/19/02/36/991190236.db2.gz JNYDKCYTRKMKMB-UTKZUKDTSA-N -1 0 391.471 3.317 20 30 GGEDRM CN(C)c1cc(C#N)cc(C(=O)N[C@@H](C[C@@H]2CCCc3ccccc32)C(=O)[O-])c1 ZINC001598287697 991190365 /nfs/dbraw/zinc/19/03/65/991190365.db2.gz JNYDKCYTRKMKMB-UWJYYQICSA-N -1 0 391.471 3.317 20 30 GGEDRM CN(C)c1cc(C#N)cc(C(=O)N2CCC(Cc3ccccc3C(=O)[O-])CC2)c1 ZINC001598288492 991195960 /nfs/dbraw/zinc/19/59/60/991195960.db2.gz VNKOCVSAWYXYMZ-UHFFFAOYSA-N -1 0 391.471 3.417 20 30 GGEDRM COc1ccccc1[C@H](NC(=O)N1CCC(C#N)(C(=O)[O-])CC1)c1ccccc1 ZINC001599700620 991212231 /nfs/dbraw/zinc/21/22/31/991212231.db2.gz XBYBJXAPOSXKOU-LJQANCHMSA-N -1 0 393.443 3.185 20 30 GGEDRM COc1ccccc1C[C@H](CNC(=O)C(C)(C)c1cc(F)cc(C#N)c1)C(=O)[O-] ZINC001599707249 991311696 /nfs/dbraw/zinc/31/16/96/991311696.db2.gz VVGSNEGCANEEOU-MRXNPFEDSA-N -1 0 398.434 3.043 20 30 GGEDRM COc1ccccc1C[C@H](CNC(=O)Nc1cc(C#N)c(F)cc1C)C(=O)[O-] ZINC001599707729 991319295 /nfs/dbraw/zinc/31/92/95/991319295.db2.gz QLONRSCCQAOZAF-OAHLLOKOSA-N -1 0 385.395 3.079 20 30 GGEDRM COc1ccccc1N(CCC#N)C(=O)[C@@H](C)Sc1ncccc1C(=O)[O-] ZINC001599712375 991392988 /nfs/dbraw/zinc/39/29/88/991392988.db2.gz BZTUELVANPYWJO-CYBMUJFWSA-N -1 0 385.445 3.216 20 30 GGEDRM CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc2cnn(CC(=O)[O-])c2c1 ZINC001591051456 991451569 /nfs/dbraw/zinc/45/15/69/991451569.db2.gz CTFJGGWITJIKDL-FQEVSTJZSA-N -1 0 392.415 3.035 20 30 GGEDRM CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N[C@@H](CC(=O)[O-])Cc1ccccc1 ZINC001591052350 991459207 /nfs/dbraw/zinc/45/92/07/991459207.db2.gz PPYNLELDFWFFDT-WIYYLYMNSA-N -1 0 380.444 3.164 20 30 GGEDRM CC(C)[C@H]1CCc2ccccc2[C@@H]1NS(=O)(=O)c1ccc(C#N)cc1C(=O)[O-] ZINC001591094649 991675471 /nfs/dbraw/zinc/67/54/71/991675471.db2.gz OPGBCIZDXUTTMA-OXQOHEQNSA-N -1 0 398.484 3.494 20 30 GGEDRM CC(C)[C@@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(C#N)cc1C(=O)[O-] ZINC001591105421 991733729 /nfs/dbraw/zinc/73/37/29/991733729.db2.gz SNBLYPUIXBUFRG-LJQANCHMSA-N -1 0 384.457 3.201 20 30 GGEDRM COc1ncc(NC(=O)N[C@H](CC(=O)[O-])c2ccc(SC)cc2)cc1C#N ZINC001599734888 991760392 /nfs/dbraw/zinc/76/03/92/991760392.db2.gz XKNSOWNVAAWVIS-OAHLLOKOSA-N -1 0 386.433 3.021 20 30 GGEDRM CC(C)CCN(CCC#N)S(=O)(=O)c1cc(C(=O)[O-])cc(C(F)(F)F)c1 ZINC001591245243 992133813 /nfs/dbraw/zinc/13/38/13/992133813.db2.gz IDSJPGBTGINDBN-UHFFFAOYSA-N -1 0 392.399 3.354 20 30 GGEDRM CN(CCCc1cc(-c2ccc(F)cc2)n(C)n1)c1ccc(C(=O)[O-])nc1C#N ZINC001598483055 992181631 /nfs/dbraw/zinc/18/16/31/992181631.db2.gz JDCKAPYKSXBLGN-UHFFFAOYSA-N -1 0 393.422 3.260 20 30 GGEDRM CS(=O)(=O)c1ccc(/C=C2\CCCc3cc(C(=O)[O-])ccc3C2=O)s1 ZINC001599769977 992231743 /nfs/dbraw/zinc/23/17/43/992231743.db2.gz GRHPEQCJNRUZSI-ZRDIBKRKSA-N -1 0 376.455 3.452 20 30 GGEDRM CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCOC2(CC(C(=O)[O-])C2)C1 ZINC001591342817 992323410 /nfs/dbraw/zinc/32/34/10/992323410.db2.gz MDOXFHSPRAZQPT-GSVIPDFHSA-N -1 0 399.491 3.138 20 30 GGEDRM CC(C)CON(CC1CCCCC1)S(=O)(=O)c1ccc(C#N)cc1C(=O)[O-] ZINC001591397098 992465973 /nfs/dbraw/zinc/46/59/73/992465973.db2.gz MINMBVAMPBEWQI-UHFFFAOYSA-N -1 0 394.493 3.415 20 30 GGEDRM CN(Cc1ccc(C(=O)[O-])cn1)C(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC001598517077 992629185 /nfs/dbraw/zinc/62/91/85/992629185.db2.gz TYAVVRWBAHLDAO-UHFFFAOYSA-N -1 0 391.383 3.096 20 30 GGEDRM CC(C)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001591504865 992648442 /nfs/dbraw/zinc/64/84/42/992648442.db2.gz BMZSDXJXWZVNEN-ZWKOTPCHSA-N -1 0 379.464 3.020 20 30 GGEDRM CC(C)Cn1c(N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)nnc1C(C)(C)C#N ZINC001591516566 992683705 /nfs/dbraw/zinc/68/37/05/992683705.db2.gz VJKBBLPPEORCLJ-DLBZAZTESA-N -1 0 381.480 3.040 20 30 GGEDRM CN(Cc1cccc(NCc2cccc(C(=O)[O-])c2C#N)c1)C(=O)C(F)(F)F ZINC001598526726 992728914 /nfs/dbraw/zinc/72/89/14/992728914.db2.gz OUWNPMDRTUQSSQ-UHFFFAOYSA-N -1 0 391.349 3.389 20 30 GGEDRM CN1c2ccccc2C(C)(C)/C1=C\C(=O)CN1CC[C@](C(=O)[O-])(C(F)(F)F)C1 ZINC001598547044 992958556 /nfs/dbraw/zinc/95/85/56/992958556.db2.gz OLMUSFOXKSDFKA-XLCPLWEUSA-N -1 0 396.409 3.206 20 30 GGEDRM C[C@@H](NC(=O)N1CCO[C@H](CC(=O)[O-])C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC001593062670 993579984 /nfs/dbraw/zinc/57/99/84/993579984.db2.gz LEHVCMDRMUSRIQ-FOIQADDNSA-N -1 0 393.443 3.171 20 30 GGEDRM C[C@H](NC(=O)N1CCC[C@H](c2ncc(C(=O)[O-])s2)C1)c1ccc(C#N)cc1 ZINC001593062963 993584232 /nfs/dbraw/zinc/58/42/32/993584232.db2.gz JKYGKBMHIDFEIR-WFASDCNBSA-N -1 0 384.461 3.363 20 30 GGEDRM C[C@@H](NC(=O)N1CCN(c2ccc(C(=O)[O-])cc2)C[C@@H]1C)c1ccc(C#N)cc1 ZINC001593063992 993594173 /nfs/dbraw/zinc/59/41/73/993594173.db2.gz VBUXMHZMRHFYOB-JKSUJKDBSA-N -1 0 392.459 3.238 20 30 GGEDRM C[C@@H](NC(=O)N1C[C@@H](c2ccc(F)cc2F)[C@H](C(=O)[O-])C1)c1cccc(C#N)c1 ZINC001593072954 993631115 /nfs/dbraw/zinc/63/11/15/993631115.db2.gz VYZJKKMWCWXZCN-OCBCSQNSSA-N -1 0 399.397 3.407 20 30 GGEDRM C[C@H](NC(=O)NCC#Cc1cccc(C(F)(F)F)c1)c1ncc(C(=O)[O-])s1 ZINC001593083848 993684098 /nfs/dbraw/zinc/68/40/98/993684098.db2.gz VGRUEMMMPHGNGJ-JTQLQIEISA-N -1 0 397.378 3.272 20 30 GGEDRM COc1ccc(NC(=O)N2CCCN(c3ccccc3C#N)CC2)c(C(=O)[O-])c1 ZINC001599595127 993739661 /nfs/dbraw/zinc/73/96/61/993739661.db2.gz RJKWBLSEXWVKPH-UHFFFAOYSA-N -1 0 394.431 3.009 20 30 GGEDRM C[C@H](NC(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1)c1ccn(C)n1 ZINC001593118638 993831785 /nfs/dbraw/zinc/83/17/85/993831785.db2.gz REKIMGMTCQEVPC-HNNXBMFYSA-N -1 0 388.427 3.401 20 30 GGEDRM C[C@@H](NC(=O)c1cc(-c2cccc(C#N)c2)no1)c1ccc(OCC(=O)[O-])cc1 ZINC001593146746 993946806 /nfs/dbraw/zinc/94/68/06/993946806.db2.gz RRQIAKZWDJLZHT-CYBMUJFWSA-N -1 0 391.383 3.168 20 30 GGEDRM C[C@H](NC(=O)c1ccc(COc2ccc(C#N)cc2)o1)c1ncc(C(=O)[O-])s1 ZINC001593163520 994001348 /nfs/dbraw/zinc/00/13/48/994001348.db2.gz QZCNVKMQIKWASK-NSHDSACASA-N -1 0 397.412 3.376 20 30 GGEDRM C[C@@](NC(=O)c1sccc1CC#N)(C(=O)[O-])c1cccc(Br)c1 ZINC001593189089 994109068 /nfs/dbraw/zinc/10/90/68/994109068.db2.gz LRHOTVZNKMUDHX-INIZCTEOSA-N -1 0 393.262 3.306 20 30 GGEDRM C[C@@H](NC(=S)NN=Cc1cc(C(=O)[O-])no1)c1ccc(Cl)cc1Cl ZINC001593190069 994117388 /nfs/dbraw/zinc/11/73/88/994117388.db2.gz LAZVPCYHXTVVFC-SSDOTTSWSA-N -1 0 387.248 3.239 20 30 GGEDRM COc1cccc(-c2c[nH]c([C@@H]3CCCN3c3ccc(C(=O)[O-])nc3C#N)n2)c1 ZINC001599638412 994323059 /nfs/dbraw/zinc/32/30/59/994323059.db2.gz MRODZSOPFBMFLK-IBGZPJMESA-N -1 0 389.415 3.392 20 30 GGEDRM COc1cccc(-c2nc(C(=O)OCc3cccc(C(=O)[O-])c3C#N)c(C)[nH]2)c1 ZINC001599640426 994351327 /nfs/dbraw/zinc/35/13/27/994351327.db2.gz OEPCADICTMZAHF-UHFFFAOYSA-N -1 0 391.383 3.321 20 30 GGEDRM COc1cccc(-c2noc([C@@H](C)NCc3cccc(C(=O)[O-])c3C#N)n2)c1 ZINC001599641407 994364401 /nfs/dbraw/zinc/36/44/01/994364401.db2.gz FESZODZANNLTEG-GFCCVEGCSA-N -1 0 378.388 3.166 20 30 GGEDRM COC(=O)[C@@H](C)Sc1ccccc1C(=O)OCc1cccc(C(=O)[O-])c1C#N ZINC001598692927 995092088 /nfs/dbraw/zinc/09/20/88/995092088.db2.gz RVFSQIZZFPILOR-GFCCVEGCSA-N -1 0 399.424 3.267 20 30 GGEDRM COC(=O)[C@H](CNc1ccc(C(=O)[O-])nc1C#N)Cc1cccc2ccccc21 ZINC001598705041 995275534 /nfs/dbraw/zinc/27/55/34/995275534.db2.gz WKQPMTNTFSCYFO-INIZCTEOSA-N -1 0 389.411 3.248 20 30 GGEDRM COC(=O)[C@H](c1cc(F)c(F)c(F)c1)N(C)Cc1cccc(C(=O)[O-])c1C#N ZINC001598712856 995368553 /nfs/dbraw/zinc/36/85/53/995368553.db2.gz SMQBWVVBMJQOBR-KRWDZBQOSA-N -1 0 392.333 3.020 20 30 GGEDRM COC(=O)[C@@H](c1cc(F)c(F)c(F)c1)N(C)Cc1cccc(C(=O)[O-])c1C#N ZINC001598712862 995368867 /nfs/dbraw/zinc/36/88/67/995368867.db2.gz SMQBWVVBMJQOBR-QGZVFWFLSA-N -1 0 392.333 3.020 20 30 GGEDRM C[C@@H](OC(=O)c1ccc(-c2ccc(C(=O)[O-])cc2)cc1)C(=O)NC1(C#N)CCC1 ZINC001593572658 995668767 /nfs/dbraw/zinc/66/87/67/995668767.db2.gz HCJWEYZXSYIZEX-CQSZACIVSA-N -1 0 392.411 3.160 20 30 GGEDRM C[C@@H](OC(=O)c1ccc(C(=O)[O-])cn1)C(=O)/C=C1/N(C)c2ccccc2C1(C)C ZINC001593574468 995679385 /nfs/dbraw/zinc/67/93/85/995679385.db2.gz JUGJQNFLGLOSKL-OTGIAGGSSA-N -1 0 394.427 3.206 20 30 GGEDRM C[C@@H](OC(=O)c1cscc1C(=O)[O-])C(=O)Nc1sc2c(c1C#N)CCC2 ZINC001593599893 995749782 /nfs/dbraw/zinc/74/97/82/995749782.db2.gz QSHSXLIWJOOLFZ-MRVPVSSYSA-N -1 0 390.442 3.052 20 30 GGEDRM C[C@@H](OC(=O)c1occc1C(=O)[O-])C(=O)/C=C1\N(C)c2ccccc2C1(C)C ZINC001593601300 995756956 /nfs/dbraw/zinc/75/69/56/995756956.db2.gz MSPZJPNJBHOSAM-ZSAINHDTSA-N -1 0 383.400 3.404 20 30 GGEDRM C[C@H](OC(=O)c1occc1C(=O)[O-])C(=O)/C=C1/N(C)c2ccccc2C1(C)C ZINC001593601297 995757199 /nfs/dbraw/zinc/75/71/99/995757199.db2.gz MSPZJPNJBHOSAM-OOIIIRTPSA-N -1 0 383.400 3.404 20 30 GGEDRM COC(=O)[C@H]1C[C@@H](C(=O)[O-])CCN1Cc1ccc(-c2ccccc2C#N)cc1 ZINC001598759699 995763087 /nfs/dbraw/zinc/76/30/87/995763087.db2.gz NQNDMGQVYPNFEC-FXAWDEMLSA-N -1 0 378.428 3.063 20 30 GGEDRM COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1Cc1ccc(-c2ccccc2C#N)cc1 ZINC001598759701 995763330 /nfs/dbraw/zinc/76/33/30/995763330.db2.gz NQNDMGQVYPNFEC-PXNSSMCTSA-N -1 0 378.428 3.063 20 30 GGEDRM C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@@](C)(Cc1ccc(Cl)cc1)C(=O)[O-] ZINC001593610664 995803783 /nfs/dbraw/zinc/80/37/83/995803783.db2.gz HDSMKTMYCAPISJ-RBZFPXEDSA-N -1 0 386.835 3.181 20 30 GGEDRM C[C@@H](Oc1ccc(NC(=O)NC2(c3cccc(C#N)c3)CC2)cc1F)C(=O)[O-] ZINC001593629104 995906221 /nfs/dbraw/zinc/90/62/21/995906221.db2.gz KZZLADJLSQUCLT-GFCCVEGCSA-N -1 0 383.379 3.360 20 30 GGEDRM C[C@H](Oc1ccccc1C#N)C(=O)Oc1ccc(Br)cc1C(=O)[O-] ZINC001593641691 995954317 /nfs/dbraw/zinc/95/43/17/995954317.db2.gz YYBDMNSONJHVAN-JTQLQIEISA-N -1 0 390.189 3.392 20 30 GGEDRM C[C@@H](Sc1ccccc1C(=O)N1CCN(c2ccc(C#N)cc2)CC1)C(=O)[O-] ZINC001593668416 996063238 /nfs/dbraw/zinc/06/32/38/996063238.db2.gz BLKZFJWYLJUHAF-OAHLLOKOSA-N -1 0 395.484 3.086 20 30 GGEDRM CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)Sc1nc(C(F)(F)F)ccc1C(=O)[O-] ZINC001593679587 996101674 /nfs/dbraw/zinc/10/16/74/996101674.db2.gz MGOJITHFYYEAED-BJOHPYRUSA-N -1 0 389.399 3.334 20 30 GGEDRM C[C@@H](c1cccc(C#N)c1)N(C)S(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC001593697887 996159098 /nfs/dbraw/zinc/15/90/98/996159098.db2.gz ALNAIYYTMUBTNY-NSHDSACASA-N -1 0 378.837 3.292 20 30 GGEDRM C[C@H](c1cccc(C#N)c1)N(C)S(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC001593697883 996159111 /nfs/dbraw/zinc/15/91/11/996159111.db2.gz ALNAIYYTMUBTNY-LLVKDONJSA-N -1 0 378.837 3.292 20 30 GGEDRM C[C@@H](c1ccccc1)[C@@H]1CCCN1S(=O)(=O)c1ccc(C#N)cc1C(=O)[O-] ZINC001593704898 996185801 /nfs/dbraw/zinc/18/58/01/996185801.db2.gz DZDWLBAKKFEHAC-KSSFIOAISA-N -1 0 384.457 3.213 20 30 GGEDRM C[C@H](c1ccccc1)[C@H]1CCCN1S(=O)(=O)c1ccc(C#N)cc1C(=O)[O-] ZINC001593704899 996185892 /nfs/dbraw/zinc/18/58/92/996185892.db2.gz DZDWLBAKKFEHAC-RDTXWAMCSA-N -1 0 384.457 3.213 20 30 GGEDRM C[C@H](c1ccccn1)N(Cc1ccoc1C(=O)[O-])C(=O)c1ccc(C#N)c(O)c1 ZINC001593720110 996248341 /nfs/dbraw/zinc/24/83/41/996248341.db2.gz KYIHMQHUDPCHRC-CYBMUJFWSA-N -1 0 391.383 3.354 20 30 GGEDRM C[C@@H](c1ncc(C(=O)[O-])s1)N1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC001593731703 996304299 /nfs/dbraw/zinc/30/42/99/996304299.db2.gz HWUURKXHNVXANK-NSHDSACASA-N -1 0 375.425 3.456 20 30 GGEDRM C[C@@]1(C#N)CCCN(C(=O)NCc2cccc(-c3nc(C(=O)[O-])cs3)c2)C1 ZINC001593740274 996356867 /nfs/dbraw/zinc/35/68/67/996356867.db2.gz QPVQFUNFQLWZEF-IBGZPJMESA-N -1 0 384.461 3.344 20 30 GGEDRM CC1(C(=O)N[C@@H]2CC=C(C(=O)[O-])C2)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC001593749638 996389661 /nfs/dbraw/zinc/38/96/61/996389661.db2.gz QLKWPHZOEXYNIB-MRXNPFEDSA-N -1 0 387.867 3.108 20 30 GGEDRM CC1(C(=O)N[C@@H](CC(=O)[O-])C2CC2)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC001593750157 996394267 /nfs/dbraw/zinc/39/42/67/996394267.db2.gz XKDGRLITIJQALN-INIZCTEOSA-N 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COc1ccc(-n2c(C)nnc2S[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC001599473662 998490921 /nfs/dbraw/zinc/49/09/21/998490921.db2.gz NNQXQAKKWUZITG-KRWDZBQOSA-N -1 0 380.429 3.374 20 30 GGEDRM COc1cc(C(=O)[O-])ccc1OCC(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC001599378904 998535047 /nfs/dbraw/zinc/53/50/47/998535047.db2.gz VNMJFBDPSNDBBI-UHFFFAOYSA-N -1 0 382.416 3.336 20 30 GGEDRM COc1ccc(C#N)cc1CN1CCc2cc(OC)c(OC)cc2[C@H]1CC(=O)[O-] ZINC001599477020 998549700 /nfs/dbraw/zinc/54/97/00/998549700.db2.gz UGODQCKMEDXSPY-GOSISDBHSA-N -1 0 396.443 3.158 20 30 GGEDRM COc1ccc(C(=O)C[C@@H](C)C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC001599478559 998571567 /nfs/dbraw/zinc/57/15/67/998571567.db2.gz MKQYLHNVQPMILW-BFUOFWGJSA-N -1 0 381.384 3.145 20 30 GGEDRM COCOc1ccc(CCC(=O)[O-])cc1NC(=O)c1cc(F)c(C#N)c(F)c1 ZINC001599275307 998601661 /nfs/dbraw/zinc/60/16/61/998601661.db2.gz HHPOXLCHTYGZJD-UHFFFAOYSA-N -1 0 390.342 3.089 20 30 GGEDRM COC(=O)c1cccc(/C=C2\CCC/C(=C\c3cccc(C(=O)[O-])n3)C2=O)n1 ZINC001598992643 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ZINC000484018212 566413716 /nfs/dbraw/zinc/41/37/16/566413716.db2.gz XLJBTDQVCIVICY-UHFFFAOYSA-N -1 0 389.252 3.454 20 30 GGEDRM COc1cc(OC)c([N-]S(=O)(=O)c2ccc(C#N)cc2OC)cc1Cl ZINC000463515364 566415843 /nfs/dbraw/zinc/41/58/43/566415843.db2.gz KLDGYWIKFUIQCS-UHFFFAOYSA-N -1 0 382.825 3.038 20 30 GGEDRM O=S(=O)([N-]c1cnn(CC(F)(F)F)c1)c1ccc(C(F)(F)F)c(F)c1 ZINC000447775182 566428005 /nfs/dbraw/zinc/42/80/05/566428005.db2.gz CDYDUQFXFKFUTO-UHFFFAOYSA-N -1 0 391.268 3.404 20 30 GGEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(Br)c(F)c1 ZINC000463779096 566433216 /nfs/dbraw/zinc/43/32/16/566433216.db2.gz QZPUTCHGTUEFCQ-UHFFFAOYSA-N -1 0 385.214 3.269 20 30 GGEDRM CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(Cl)cc1SCCC(=O)OC ZINC000601978458 566436561 /nfs/dbraw/zinc/43/65/61/566436561.db2.gz VEZBDAKONKZCCP-LLVKDONJSA-N -1 0 376.887 3.039 20 30 GGEDRM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(Cl)cc1SCCC(=O)OC ZINC000601978459 566436705 /nfs/dbraw/zinc/43/67/05/566436705.db2.gz VEZBDAKONKZCCP-NSHDSACASA-N -1 0 376.887 3.039 20 30 GGEDRM CC(C)(C)C[C@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)C(F)(F)F ZINC000537565787 566451481 /nfs/dbraw/zinc/45/14/81/566451481.db2.gz DDEJODXQOQHHQQ-LBPRGKRZSA-N -1 0 379.360 3.112 20 30 GGEDRM CC(C)(C)C[C@@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)C(F)(F)F ZINC000537565786 566452519 /nfs/dbraw/zinc/45/25/19/566452519.db2.gz DDEJODXQOQHHQQ-GFCCVEGCSA-N -1 0 379.360 3.112 20 30 GGEDRM COC(=O)c1cc(Br)cc(C([O-])=C(C#N)c2cc(C)nc(C)n2)c1 ZINC000464191932 566453103 /nfs/dbraw/zinc/45/31/03/566453103.db2.gz RYFXPATZPFPRDG-AWEZNQCLSA-N -1 0 388.221 3.133 20 30 GGEDRM COc1cc(C)c(Br)cc1C(=O)N=c1[n-]n(C(C)C)cc1C#N ZINC000577849377 566468411 /nfs/dbraw/zinc/46/84/11/566468411.db2.gz MLXFNZOTMLWHBV-UHFFFAOYSA-N -1 0 377.242 3.089 20 30 GGEDRM CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000511727595 566485078 /nfs/dbraw/zinc/48/50/78/566485078.db2.gz QYIINAFSTJIRAK-UHFFFAOYSA-N -1 0 381.797 3.319 20 30 GGEDRM CCc1cc(C#N)c([N-]S(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)s1 ZINC000578073965 566489660 /nfs/dbraw/zinc/48/96/60/566489660.db2.gz FXYGDPZZDWAPED-UHFFFAOYSA-N -1 0 379.438 3.007 20 30 GGEDRM C[C@H]1C[C@@]1(C#N)C(=O)Nc1ccc(F)c([N-]S(=O)(=O)c2cccs2)c1 ZINC000448725459 566489967 /nfs/dbraw/zinc/48/99/67/566489967.db2.gz ORBDAFLILMZSEP-QFYYESIMSA-N -1 0 379.438 3.176 20 30 GGEDRM COc1ccc(S(=O)(=O)[N-]c2cc(C)c(N(C)C)cc2C#N)c(Cl)c1 ZINC000558595559 566490460 /nfs/dbraw/zinc/49/04/60/566490460.db2.gz AFUSPHXEQXSHAN-UHFFFAOYSA-N -1 0 379.869 3.396 20 30 GGEDRM N#Cc1cncc(S(=O)(=O)[N-]c2ccn(-c3ccc(Cl)cc3Cl)n2)c1 ZINC000578288745 566508089 /nfs/dbraw/zinc/50/80/89/566508089.db2.gz NCOZQRCUSGPYSF-UHFFFAOYSA-N -1 0 394.243 3.247 20 30 GGEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2ncsc2C(F)(F)F)n1 ZINC000558866851 566511385 /nfs/dbraw/zinc/51/13/85/566511385.db2.gz RXCYFAMMFJPUDA-LURJTMIESA-N -1 0 375.353 3.285 20 30 GGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3cccc(Br)c3n2)cn1 ZINC000538454936 566514325 /nfs/dbraw/zinc/51/43/25/566514325.db2.gz WGMCILJPVFXRLE-UHFFFAOYSA-N -1 0 389.234 3.065 20 30 GGEDRM C=CCC[C@@H](NC(=O)Cc1c(C)[nH]c2ccc(Br)cc21)C(=O)[O-] ZINC000448991024 566517998 /nfs/dbraw/zinc/51/79/98/566517998.db2.gz IMVPXHJXUOILAP-OAHLLOKOSA-N -1 0 379.254 3.317 20 30 GGEDRM Cc1nn(-c2ccc(Cl)cc2)c([N-]S(=O)(=O)c2ccc(C#N)o2)c1C ZINC000578550047 566532419 /nfs/dbraw/zinc/53/24/19/566532419.db2.gz MMCIQTJHEBBYSZ-UHFFFAOYSA-N -1 0 376.825 3.408 20 30 GGEDRM N#Cc1c(Br)cccc1S(=O)(=O)[N-]c1ccc2c(c1)CCO2 ZINC000559252836 566537085 /nfs/dbraw/zinc/53/70/85/566537085.db2.gz PEIJLVFBGXGBDS-UHFFFAOYSA-N -1 0 379.235 3.056 20 30 GGEDRM C[C@@H](C#N)CN(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000603893901 566543860 /nfs/dbraw/zinc/54/38/60/566543860.db2.gz MANAYXNEZGGTBD-NSHDSACASA-N -1 0 397.909 3.434 20 30 GGEDRM C[C@H](C#N)CN(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000603893900 566543922 /nfs/dbraw/zinc/54/39/22/566543922.db2.gz MANAYXNEZGGTBD-LLVKDONJSA-N -1 0 397.909 3.434 20 30 GGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ncc(C3CCOCC3)s2)c(Cl)c1 ZINC000578844602 566559301 /nfs/dbraw/zinc/55/93/01/566559301.db2.gz CDFLOURXCZDKNG-UHFFFAOYSA-N -1 0 383.882 3.363 20 30 GGEDRM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2nc(C(C)C)c(C)s2)c1 ZINC000578883828 566562925 /nfs/dbraw/zinc/56/29/25/566562925.db2.gz GBPGFQQQCKIWHM-UHFFFAOYSA-N -1 0 379.507 3.292 20 30 GGEDRM C[C@H](CC#N)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000604575183 566571926 /nfs/dbraw/zinc/57/19/26/566571926.db2.gz QTECHVHEUVKIIV-SNVBAGLBSA-N -1 0 383.882 3.234 20 30 GGEDRM O=S(=O)([N-]c1nc(C(F)(F)F)c[nH]1)c1ccc(F)c(C(F)(F)F)c1 ZINC000559841213 566573089 /nfs/dbraw/zinc/57/30/89/566573089.db2.gz NLOQCGSCPMYCBB-UHFFFAOYSA-N -1 0 377.241 3.387 20 30 GGEDRM Cc1ccc([N-]S(=O)(=O)c2ccsc2C(=O)N(C)C[C@H](C)C#N)cc1 ZINC000513186239 566586597 /nfs/dbraw/zinc/58/65/97/566586597.db2.gz DWLJZSCMSSTNJF-CYBMUJFWSA-N -1 0 377.491 3.089 20 30 GGEDRM CC1(C)CCc2nc([N-]S(=O)(=O)c3ccc(Cl)c(C#N)c3)ncc2C1 ZINC000486574749 566600314 /nfs/dbraw/zinc/60/03/14/566600314.db2.gz LPUJKGJLRDVXJN-UHFFFAOYSA-N -1 0 376.869 3.317 20 30 GGEDRM CC1(C)CCc2nc([N-]S(=O)(=O)c3ccc(C#N)cc3Cl)ncc2C1 ZINC000486577450 566600968 /nfs/dbraw/zinc/60/09/68/566600968.db2.gz VEQGPBYMZGEUQP-UHFFFAOYSA-N -1 0 376.869 3.317 20 30 GGEDRM Cn1nc(-c2ccc(Cl)s2)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000486578824 566601141 /nfs/dbraw/zinc/60/11/41/566601141.db2.gz WPUUUEHVQATFAH-UHFFFAOYSA-N -1 0 378.866 3.474 20 30 GGEDRM N#CCCCOc1cccnc1NC(=O)c1cccc(Br)c1[O-] ZINC000539889563 566612371 /nfs/dbraw/zinc/61/23/71/566612371.db2.gz FIUXEQFEDJGZSE-UHFFFAOYSA-N -1 0 376.210 3.485 20 30 GGEDRM C=CCCO[C@@H](C)C(=O)N1C[C@H](C(=O)[O-])[C@@H](c2ccc(Br)cc2)C1 ZINC000425257062 566624550 /nfs/dbraw/zinc/62/45/50/566624550.db2.gz PYFOYBLPLHBCKZ-MAZHCROVSA-N -1 0 396.281 3.057 20 30 GGEDRM C[C@@H]([N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)c1nc(C(F)(F)F)cs1 ZINC000486841460 566628380 /nfs/dbraw/zinc/62/83/80/566628380.db2.gz OAWBYYRWNVZOKQ-ZCFIWIBFSA-N -1 0 397.350 3.351 20 30 GGEDRM N#Cc1cc(F)c(S(=O)(=O)[N-]C[C@@H]2SCCc3ccccc32)c(F)c1 ZINC000467134848 566628462 /nfs/dbraw/zinc/62/84/62/566628462.db2.gz BXTQCWCIYLIEKD-INIZCTEOSA-N -1 0 380.441 3.145 20 30 GGEDRM N#Cc1cc(F)c(S(=O)(=O)[N-]C[C@@H]2CCC[C@H](C(F)(F)F)C2)c(F)c1 ZINC000467146585 566629820 /nfs/dbraw/zinc/62/98/20/566629820.db2.gz JMYZGSVVTPYLHA-KOLCDFICSA-N -1 0 382.354 3.483 20 30 GGEDRM N#Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2C[C@@H]2c2c(F)cccc2Cl)c(F)c1 ZINC000467154269 566629984 /nfs/dbraw/zinc/62/99/84/566629984.db2.gz FSUVFEPMGWXSLW-LKFCYVNXSA-N -1 0 386.782 3.463 20 30 GGEDRM CO[C@@H](C[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)c1cccc(Cl)c1 ZINC000467157313 566630081 /nfs/dbraw/zinc/63/00/81/566630081.db2.gz GCGLDMSNKJPDOY-HNNXBMFYSA-N -1 0 386.807 3.156 20 30 GGEDRM CCO[C@H](CCNS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)C(C)C ZINC000467794823 566667859 /nfs/dbraw/zinc/66/78/59/566667859.db2.gz AFLIWFLKEXTKSF-CQSZACIVSA-N -1 0 378.416 3.307 20 30 GGEDRM C=C(CNS(=O)(=O)c1ccc(C(=O)[O-])cc1Br)c1ccccc1 ZINC000487388840 566668251 /nfs/dbraw/zinc/66/82/51/566668251.db2.gz MUPAMHLIYUUGNZ-UHFFFAOYSA-N -1 0 396.262 3.139 20 30 GGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc3c(cn2)CCCC3)cc1Br ZINC000580178916 566671364 /nfs/dbraw/zinc/67/13/64/566671364.db2.gz PSTZJBKNRPWXSC-UHFFFAOYSA-N -1 0 392.278 3.395 20 30 GGEDRM O=S(=O)(NCC#Cc1ccc(C(F)(F)F)cc1)c1cc(F)ccc1F ZINC000487453750 566674783 /nfs/dbraw/zinc/67/47/83/566674783.db2.gz SWVGFXASONXQKV-UHFFFAOYSA-N -1 0 375.318 3.314 20 30 GGEDRM CCOC(=O)c1c(C)c(C)sc1[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000540895706 566679389 /nfs/dbraw/zinc/67/93/89/566679389.db2.gz OCMHJXFBWRZPCS-UHFFFAOYSA-N -1 0 382.438 3.353 20 30 GGEDRM N#Cc1ccc(-n2ccc([N-]S(=O)(=O)c3ccccc3Cl)n2)c(F)c1 ZINC000541090395 566695496 /nfs/dbraw/zinc/69/54/96/566695496.db2.gz OVTPOXLDSOCXKC-UHFFFAOYSA-N -1 0 376.800 3.337 20 30 GGEDRM N#Cc1ccc(-n2ccc([N-]S(=O)(=O)c3ccc(F)cc3)n2)c(Cl)c1 ZINC000541123224 566697350 /nfs/dbraw/zinc/69/73/50/566697350.db2.gz FWWCJWYMDXSEGN-UHFFFAOYSA-N -1 0 376.800 3.337 20 30 GGEDRM N#CCCCS(=O)(=O)[N-][C@@H](c1ccc(OC(F)(F)F)cc1)C(F)(F)F ZINC000541126668 566697733 /nfs/dbraw/zinc/69/77/33/566697733.db2.gz FWKOXYMOMGDDQP-NSHDSACASA-N -1 0 390.305 3.412 20 30 GGEDRM N#CCCCN1C(=O)CCc2cc([N-]S(=O)(=O)c3cccs3)ccc21 ZINC000468379140 566698702 /nfs/dbraw/zinc/69/87/02/566698702.db2.gz JQLMBPHZPRJPMA-UHFFFAOYSA-N -1 0 375.475 3.132 20 30 GGEDRM C=CCC1(C(=O)NC[C@H](Oc2ccc(Br)cc2)C(=O)[O-])CCC1 ZINC000580651144 566712069 /nfs/dbraw/zinc/71/20/69/566712069.db2.gz XKZYRIRRJBKZSG-AWEZNQCLSA-N -1 0 382.254 3.144 20 30 GGEDRM C=C(C)C[C@H](NC(=O)[C@@H](CCOC)Cc1cccc(Br)c1)C(=O)[O-] ZINC000630324450 566722857 /nfs/dbraw/zinc/72/28/57/566722857.db2.gz DQMRGZLLJYALMP-HOCLYGCPSA-N -1 0 398.297 3.180 20 30 GGEDRM N#CC1(CCS(=O)(=O)c2n[n-]c(=NC3CCCCC3)s2)CCCCC1 ZINC000515613473 566723826 /nfs/dbraw/zinc/72/38/26/566723826.db2.gz IARCSJRULPEVCE-UHFFFAOYSA-N -1 0 382.555 3.342 20 30 GGEDRM CO[C@H](CS(=O)(=O)[N-]c1nc(C)c(SCC#N)s1)c1ccccc1 ZINC000450968086 566724822 /nfs/dbraw/zinc/72/48/22/566724822.db2.gz JWNPEYNNBNCPFP-CYBMUJFWSA-N -1 0 383.520 3.197 20 30 GGEDRM N#CCc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)nc2)c(Cl)c1 ZINC000450967934 566724976 /nfs/dbraw/zinc/72/49/76/566724976.db2.gz IWXJTIPQDQLSJP-UHFFFAOYSA-N -1 0 376.869 3.202 20 30 GGEDRM CCN(CC)c1ccc([N-]S(=O)(=O)c2ccc(CC#N)cc2Cl)cn1 ZINC000450971359 566727108 /nfs/dbraw/zinc/72/71/08/566727108.db2.gz OMLOYEPRFLPJRK-UHFFFAOYSA-N -1 0 378.885 3.448 20 30 GGEDRM CCc1cc(C2CC2)nc([N-]S(=O)(=O)c2ccc(CC#N)cc2Cl)n1 ZINC000451016347 566735493 /nfs/dbraw/zinc/73/54/93/566735493.db2.gz RBPLKPFNYLPJRD-UHFFFAOYSA-N -1 0 376.869 3.437 20 30 GGEDRM CC(C)C[C@@H](C#N)NC(=O)c1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC000608825734 566737384 /nfs/dbraw/zinc/73/73/84/566737384.db2.gz RSHSYEWAAAKGTE-HNNXBMFYSA-N -1 0 377.491 3.217 20 30 GGEDRM CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1CC#N ZINC000451052083 566743861 /nfs/dbraw/zinc/74/38/61/566743861.db2.gz DKPWXLOASKIQKY-UHFFFAOYSA-N -1 0 382.825 3.149 20 30 GGEDRM N#Cc1ccc([N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1 ZINC000609027259 566746895 /nfs/dbraw/zinc/74/68/95/566746895.db2.gz GHZAOCYBIUNSPB-UHFFFAOYSA-N -1 0 382.195 3.030 20 30 GGEDRM COC(=O)c1sc([N-]S(=O)(=O)c2ccc(C#N)cc2C)nc1C(C)C ZINC000451093022 566754090 /nfs/dbraw/zinc/75/40/90/566754090.db2.gz DSZAXFASCRVZTG-UHFFFAOYSA-N -1 0 379.463 3.034 20 30 GGEDRM COC(=O)c1sc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)nc1C(C)C ZINC000451096211 566755207 /nfs/dbraw/zinc/75/52/07/566755207.db2.gz LKZGZONRGLHIQZ-UHFFFAOYSA-N -1 0 399.881 3.379 20 30 GGEDRM Cc1nc([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)O3)sc1SCC#N ZINC000609283083 566755758 /nfs/dbraw/zinc/75/57/58/566755758.db2.gz XWKCGIMIFZEAHV-SECBINFHSA-N -1 0 381.504 3.191 20 30 GGEDRM COC(=O)c1sc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)nc1C(C)C ZINC000451099458 566756992 /nfs/dbraw/zinc/75/69/92/566756992.db2.gz XLRNRGYSNFXLRF-UHFFFAOYSA-N -1 0 379.463 3.034 20 30 GGEDRM C[C@H](C#N)CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000609524413 566768440 /nfs/dbraw/zinc/76/84/40/566768440.db2.gz KMKLITIOMLEITM-SNVBAGLBSA-N -1 0 383.882 3.092 20 30 GGEDRM N#CC1CCN(C(=O)N=c2ccc(-c3ccc(Br)s3)n[n-]2)CC1 ZINC000581347908 566770120 /nfs/dbraw/zinc/77/01/20/566770120.db2.gz CNGXKORATWGZAO-UHFFFAOYSA-N -1 0 392.282 3.157 20 30 GGEDRM C=CCCC[C@@H](C)NS(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1OC ZINC000516636201 566773694 /nfs/dbraw/zinc/77/36/94/566773694.db2.gz FWXNPNMQAMUJJS-LLVKDONJSA-N -1 0 375.874 3.158 20 30 GGEDRM COc1ccc(S(=O)(=O)[N-]c2nc(C)c(SCC#N)s2)c(C)c1C ZINC000609781908 566785004 /nfs/dbraw/zinc/78/50/04/566785004.db2.gz SGSOKWDLDWEKLI-UHFFFAOYSA-N -1 0 383.520 3.493 20 30 GGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2nnc(-c3ccc(Cl)cc3F)s2)o1 ZINC000516807996 566785470 /nfs/dbraw/zinc/78/54/70/566785470.db2.gz HFUSIMTTXPZJCZ-UHFFFAOYSA-N -1 0 384.801 3.263 20 30 GGEDRM C=CCCCS(=O)(=O)[N-]c1nc(-c2ccccc2)c(CC(=O)OC)s1 ZINC000427753666 566794586 /nfs/dbraw/zinc/79/45/86/566794586.db2.gz QCCZTINTDKQKGD-UHFFFAOYSA-N -1 0 380.491 3.234 20 30 GGEDRM CCOC(=O)c1c(C)c(C)sc1[N-]S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000427751145 566794668 /nfs/dbraw/zinc/79/46/68/566794668.db2.gz APDZUDSHOIMYHT-UHFFFAOYSA-N -1 0 382.438 3.353 20 30 GGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2noc(-c3ccccc3Cl)n2)c(F)c1 ZINC000562496316 566796413 /nfs/dbraw/zinc/79/64/13/566796413.db2.gz FTFJBPCDPMMGGI-UHFFFAOYSA-N -1 0 378.772 3.202 20 30 GGEDRM COCCOc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000610057658 566801576 /nfs/dbraw/zinc/80/15/76/566801576.db2.gz QEULEDBZMSHOJX-UHFFFAOYSA-N -1 0 384.816 3.177 20 30 GGEDRM CCOC(=O)c1cc([N-]S(=O)(=O)c2ccc(C#N)cc2F)ccc1Cl ZINC000610057556 566801598 /nfs/dbraw/zinc/80/15/98/566801598.db2.gz JWIDVWNEYIFVGS-UHFFFAOYSA-N -1 0 382.800 3.328 20 30 GGEDRM CCNC(=O)c1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1C ZINC000610123660 566807469 /nfs/dbraw/zinc/80/74/69/566807469.db2.gz FLSDMZMPALEVBF-UHFFFAOYSA-N -1 0 377.853 3.071 20 30 GGEDRM C=CCC(C)(C)CNC(=O)c1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000489991534 566821449 /nfs/dbraw/zinc/82/14/49/566821449.db2.gz UQNFGXUHIRCKHK-UHFFFAOYSA-N -1 0 379.507 3.276 20 30 GGEDRM 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599838810 /nfs/dbraw/zinc/83/88/10/599838810.db2.gz OKTDKAGQRGWARY-UHFFFAOYSA-N -1 0 378.428 3.021 20 30 GGEDRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)[C@H](C)Oc2ccccc2C#N)cc1 ZINC000262081936 599846748 /nfs/dbraw/zinc/84/67/48/599846748.db2.gz DTZKYLMFDWORRS-GUYCJALGSA-N -1 0 384.457 3.380 20 30 GGEDRM C#Cc1cccc(N(Cc2ccco2)S(=O)(=O)c2ccc(C(=O)[O-])cc2)c1 ZINC000728185194 599850269 /nfs/dbraw/zinc/85/02/69/599850269.db2.gz IXABQAHQIAYUNI-UHFFFAOYSA-N -1 0 381.409 3.355 20 30 GGEDRM C=CCn1c(C2CC2)nn(CN(CC(=O)[O-])Cc2ccc(F)c(F)c2)c1=S ZINC000736118492 599853333 /nfs/dbraw/zinc/85/33/33/599853333.db2.gz UIQSUUWDWVPLAR-UHFFFAOYSA-N -1 0 394.447 3.300 20 30 GGEDRM Cc1ccccc1NC(=S)C(C(=O)c1cc(C(=O)[O-])co1)[n+]1cccc([O-])c1 ZINC000738777425 599855034 /nfs/dbraw/zinc/85/50/34/599855034.db2.gz GWXMLYHXXNPUTH-UHFFFAOYSA-O -1 0 397.432 3.330 20 30 GGEDRM O=C([O-])c1coc(C(=O)C(C(=S)Nc2ccccc2)[n+]2cccc([O-])c2)c1 ZINC000740259708 599855699 /nfs/dbraw/zinc/85/56/99/599855699.db2.gz ZMOQGUQHELKHRL-UHFFFAOYSA-O -1 0 383.405 3.022 20 30 GGEDRM C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCCC[C@H]1CC(=O)[O-] ZINC000736201927 599855874 /nfs/dbraw/zinc/85/58/74/599855874.db2.gz LAAUWNHKLYPIKK-GJZGRUSLSA-N -1 0 375.494 3.206 20 30 GGEDRM C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCC(CC(=O)[O-])CC1 ZINC000736545463 599855904 /nfs/dbraw/zinc/85/59/04/599855904.db2.gz OZAAHOSTZVJDEX-AWEZNQCLSA-N -1 0 375.494 3.206 20 30 GGEDRM C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCCC[C@@H]1CC(=O)[O-] ZINC000736201933 599855912 /nfs/dbraw/zinc/85/59/12/599855912.db2.gz LAAUWNHKLYPIKK-LSDHHAIUSA-N -1 0 375.494 3.206 20 30 GGEDRM Cc1nn(-c2ccccc2)c(COC(=O)c2ccccc2NC(=O)[O-])c1C#N ZINC000738902112 599868426 /nfs/dbraw/zinc/86/84/26/599868426.db2.gz HKBMVANWOAQECQ-UHFFFAOYSA-N -1 0 376.372 3.499 20 30 GGEDRM C[C@H](OC(=O)c1ccccc1NC(=O)[O-])C(=O)N(CCC#N)c1ccccc1 ZINC000736696114 599868807 /nfs/dbraw/zinc/86/88/07/599868807.db2.gz HKPMZSUQVMBMPI-AWEZNQCLSA-N -1 0 381.388 3.269 20 30 GGEDRM COc1cc(C#N)ccc1OCC(=O)NCc1c2ccccc2sc1C(=O)[O-] ZINC000610852465 599871848 /nfs/dbraw/zinc/87/18/48/599871848.db2.gz RQAMDQSSRNBZNI-UHFFFAOYSA-N -1 0 396.424 3.175 20 30 GGEDRM C=CCN(CC=C)S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Br ZINC000736108681 599875433 /nfs/dbraw/zinc/87/54/33/599875433.db2.gz NAWKEYBJEGZYTQ-UHFFFAOYSA-N -1 0 394.674 3.163 20 30 GGEDRM C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1ccc(C(=O)[O-])cc1 ZINC000736201826 599875876 /nfs/dbraw/zinc/87/58/76/599875876.db2.gz KJFMXTGINZIZSQ-CYBMUJFWSA-N -1 0 398.440 3.432 20 30 GGEDRM C#CCOc1cccc(NC(=O)N2CCc3[nH]c4ccc(C(=O)[O-])cc4c3C2)c1 ZINC000736088860 599880794 /nfs/dbraw/zinc/88/07/94/599880794.db2.gz FNPZPECVXDKIQK-UHFFFAOYSA-N -1 0 389.411 3.468 20 30 GGEDRM COC(=O)N[C@H](C(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1)C(C)C ZINC000737634240 599891937 /nfs/dbraw/zinc/89/19/37/599891937.db2.gz QQUFUGVLSBEFAE-IBGZPJMESA-N -1 0 394.427 3.104 20 30 GGEDRM N#Cc1ccc(CSc2ccccc2C(=O)NCCSCC(=O)[O-])cc1 ZINC000739118449 599893000 /nfs/dbraw/zinc/89/30/00/599893000.db2.gz SGLVTXVUYJCHOY-UHFFFAOYSA-N -1 0 386.498 3.398 20 30 GGEDRM N#Cc1ccc(SCC(=O)Nc2nc(-c3c[nH]c(C(=O)[O-])c3)cs2)cc1 ZINC000739132893 599900120 /nfs/dbraw/zinc/90/01/20/599900120.db2.gz VYTCZHIAQICJNW-UHFFFAOYSA-N -1 0 384.442 3.439 20 30 GGEDRM CCc1ccc([C@H]2NC(=S)NC(C(=O)[O-])=C2C(=O)c2ccccc2F)s1 ZINC000737260525 599904726 /nfs/dbraw/zinc/90/47/26/599904726.db2.gz RXYXOIQBXUSXTM-CQSZACIVSA-N -1 0 390.461 3.190 20 30 GGEDRM CCC(CC)CNC(=O)C(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC000736896074 599906627 /nfs/dbraw/zinc/90/66/27/599906627.db2.gz VMCLXKOBWHQZMX-UHFFFAOYSA-N -1 0 392.455 3.276 20 30 GGEDRM C=CCN(C(=O)c1cccc(NC(=O)[O-])c1)c1nc(C(=O)OCC)cs1 ZINC000736108525 599909072 /nfs/dbraw/zinc/90/90/72/599909072.db2.gz XKNHYEAUBCNFDE-UHFFFAOYSA-N -1 0 375.406 3.243 20 30 GGEDRM C[C@@H](CN(C(=O)c1cccc(OCc2ccccc2C#N)c1)C1CC1)C(=O)[O-] ZINC000736566479 599915468 /nfs/dbraw/zinc/91/54/68/599915468.db2.gz TUQOKMBMQYKVMX-HNNXBMFYSA-N -1 0 378.428 3.463 20 30 GGEDRM Cc1cc(NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)ccc1C(=O)[O-] ZINC000738448792 599915737 /nfs/dbraw/zinc/91/57/37/599915737.db2.gz OMOTUVUIZCJAJJ-UHFFFAOYSA-N -1 0 386.429 3.023 20 30 GGEDRM CC(=O)c1[nH]c(CC(=O)N[C@H](C#N)c2ccc(C(C)(C)C)cc2)c(C(=O)[O-])c1C ZINC000736184058 599918673 /nfs/dbraw/zinc/91/86/73/599918673.db2.gz ZWZOGIDYKBDPHQ-QGZVFWFLSA-N -1 0 395.459 3.445 20 30 GGEDRM CCc1[nH]c(C(=O)N[C@H](C#N)c2ccc(OC(F)(F)F)cc2)c(C)c1C(=O)[O-] ZINC000737239975 599918771 /nfs/dbraw/zinc/91/87/71/599918771.db2.gz GTGLHSRGNHIJHQ-CYBMUJFWSA-N -1 0 395.337 3.477 20 30 GGEDRM Cc1[nH]c(C(=O)N[C@H](C#N)c2ccc(OC(F)(F)F)cc2)c(C)c1C(=O)[O-] ZINC000738157355 599919154 /nfs/dbraw/zinc/91/91/54/599919154.db2.gz YEPBUJATCUTVGT-GFCCVEGCSA-N -1 0 381.310 3.223 20 30 GGEDRM N#C[C@H](NC(=O)c1cccc(OCC(=O)[O-])c1)c1cccc(Cl)c1Cl ZINC000739073284 599919186 /nfs/dbraw/zinc/91/91/86/599919186.db2.gz CHIZABZKPZAGAO-AWEZNQCLSA-N -1 0 379.199 3.451 20 30 GGEDRM N#C[C@@H](NC(=O)c1cccc(OCC(=O)[O-])c1)c1ccc(OC(F)(F)F)cc1 ZINC000739075318 599919304 /nfs/dbraw/zinc/91/93/04/599919304.db2.gz RFPDLQPYSTVLDC-OAHLLOKOSA-N -1 0 394.305 3.043 20 30 GGEDRM N#C[C@H](NC(=O)c1cccc(OCC(=O)[O-])c1)c1ccc(OC(F)(F)F)cc1 ZINC000739075314 599919314 /nfs/dbraw/zinc/91/93/14/599919314.db2.gz RFPDLQPYSTVLDC-HNNXBMFYSA-N -1 0 394.305 3.043 20 30 GGEDRM Cc1c(C(=O)[O-])cccc1S(=O)(=O)N(Cc1ccc(C#N)cc1)CC(C)C ZINC000738277311 599936511 /nfs/dbraw/zinc/93/65/11/599936511.db2.gz BSYSPOPOAAVEEI-UHFFFAOYSA-N -1 0 386.473 3.412 20 30 GGEDRM CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NC[C@H](Cc1cccc(F)c1)C(=O)[O-] ZINC000736389325 599942286 /nfs/dbraw/zinc/94/22/86/599942286.db2.gz AQALCYOBZJZQRB-FXAWDEMLSA-N -1 0 398.434 3.160 20 30 GGEDRM CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NC[C@@H](Cc1cccc(F)c1)C(=O)[O-] ZINC000736389337 599942511 /nfs/dbraw/zinc/94/25/11/599942511.db2.gz AQALCYOBZJZQRB-YLJYHZDGSA-N -1 0 398.434 3.160 20 30 GGEDRM Cc1oc(-n2cccc2)c(C#N)c1C(=O)NC[C@@H](Cc1cccc(F)c1)C(=O)[O-] ZINC000738958755 599946585 /nfs/dbraw/zinc/94/65/85/599946585.db2.gz ZNDGUVHUSRRQNI-OAHLLOKOSA-N -1 0 395.390 3.063 20 30 GGEDRM COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])N(Cc1ccc(F)cc1C#N)CC2 ZINC000737905197 599961686 /nfs/dbraw/zinc/96/16/86/599961686.db2.gz HDKAGPGWQMQGIY-GOSISDBHSA-N -1 0 384.407 3.289 20 30 GGEDRM C=CCc1ccc(OCC(=O)N[C@@H](C(=O)[O-])c2cc(F)ccc2F)c(OC)c1 ZINC000736114983 599979072 /nfs/dbraw/zinc/97/90/72/599979072.db2.gz SLWADVVLPPZCPA-LJQANCHMSA-N -1 0 391.370 3.023 20 30 GGEDRM CC(=O)C1=C(C(=O)[O-])N(Cc2ccccc2)C(=O)N[C@H]1c1csc(C2CC2)n1 ZINC000736125450 599982035 /nfs/dbraw/zinc/98/20/35/599982035.db2.gz IOULPLXILCQJIP-INIZCTEOSA-N -1 0 397.456 3.215 20 30 GGEDRM CC(C)(C)n1cc(C#N)cc1NC(=O)NC[C@H](Cc1cccc(F)c1)C(=O)[O-] ZINC000736306340 599982333 /nfs/dbraw/zinc/98/23/33/599982333.db2.gz QENIWHCRCSDVJD-HNNXBMFYSA-N -1 0 386.427 3.319 20 30 GGEDRM CC1=C(C(=O)[O-])[C@@H](c2cccc(OCC#N)c2)NC(=O)N1Cc1ccccc1 ZINC000736749290 599982439 /nfs/dbraw/zinc/98/24/39/599982439.db2.gz AJLBCAMBRPSBQY-LJQANCHMSA-N -1 0 377.400 3.214 20 30 GGEDRM C=CCN1C(=O)N[C@H](c2csc(-c3ccc(OC)cc3)n2)C(C(=O)[O-])=C1C ZINC000736106779 599983423 /nfs/dbraw/zinc/98/34/23/599983423.db2.gz LFYPNVGQMYQKKJ-MRXNPFEDSA-N -1 0 385.445 3.430 20 30 GGEDRM C=CCN1C(=O)N[C@@H](c2csc(-c3ccc4c(c3)OCO4)n2)C(C(=O)[O-])=C1C ZINC000736107191 599983435 /nfs/dbraw/zinc/98/34/35/599983435.db2.gz SVAKDZBXYOKGRH-INIZCTEOSA-N -1 0 399.428 3.150 20 30 GGEDRM CC(=O)C1=C(C(=O)[O-])N(CC2CC2)C(=O)N[C@@H]1c1csc(-c2ccccc2)n1 ZINC000736125374 599987375 /nfs/dbraw/zinc/98/73/75/599987375.db2.gz HWJGHEOHYFRALB-MRXNPFEDSA-N -1 0 397.456 3.214 20 30 GGEDRM CC(C)c1ccc([C@@H]2NC(=S)NC(c3cccs3)=C2C(=O)C(=O)[O-])cc1 ZINC000736511856 599991800 /nfs/dbraw/zinc/99/18/00/599991800.db2.gz FLSWIVQGBOBUHS-HNNXBMFYSA-N -1 0 386.498 3.455 20 30 GGEDRM O=C([O-])C(=O)C1=C(c2ccccc2)NC(=S)N[C@H]1c1ccc2ccccc2c1 ZINC000738516181 599992419 /nfs/dbraw/zinc/99/24/19/599992419.db2.gz CQQILZSNBRMAMK-IBGZPJMESA-N -1 0 388.448 3.424 20 30 GGEDRM O=C([O-])C(=O)C1=C(c2ccccc2Cl)NC(=S)N[C@H]1c1ccccc1F ZINC000739499017 599992679 /nfs/dbraw/zinc/99/26/79/599992679.db2.gz QCIWCXZTMFZOHM-HNNXBMFYSA-N -1 0 390.823 3.063 20 30 GGEDRM O=C([O-])C(=O)C1=C(c2ccccc2Cl)NC(=S)N[C@@H]1c1ccccc1F ZINC000739499018 599992704 /nfs/dbraw/zinc/99/27/04/599992704.db2.gz QCIWCXZTMFZOHM-OAHLLOKOSA-N -1 0 390.823 3.063 20 30 GGEDRM O=C([O-])C(=O)C1=C(c2ccc(F)cc2)NC(=S)N[C@H]1c1ccccc1Cl ZINC000739497411 599993556 /nfs/dbraw/zinc/99/35/56/599993556.db2.gz CQGLUCMGDKVERI-HNNXBMFYSA-N -1 0 390.823 3.063 20 30 GGEDRM Cc1cccc([C@H]2NC(=S)NC(c3ccc(Cl)s3)=C2C(=O)C(=O)[O-])c1 ZINC000738698847 599993565 /nfs/dbraw/zinc/99/35/65/599993565.db2.gz YUCOROPQRRBHSW-CYBMUJFWSA-N -1 0 392.889 3.294 20 30 GGEDRM O=C([O-])C(=O)C1=C(c2ccc(Cl)s2)NC(=S)N[C@H]1c1ccsc1 ZINC000739498351 599993640 /nfs/dbraw/zinc/99/36/40/599993640.db2.gz LIUUMBKXDDDEDW-JTQLQIEISA-N -1 0 384.891 3.047 20 30 GGEDRM O=C([O-])C(=O)C1=C(c2ccc(Cl)s2)NC(=S)N[C@@H]1c1ccc(F)cc1 ZINC000739499510 599993671 /nfs/dbraw/zinc/99/36/71/599993671.db2.gz RSIZMUJWYBYCAK-GFCCVEGCSA-N -1 0 396.852 3.124 20 30 GGEDRM Cc1ccc(N(CCC#N)C(=O)COC(=O)c2cccc(NC(=O)[O-])c2)cc1C ZINC000738608036 599998173 /nfs/dbraw/zinc/99/81/73/599998173.db2.gz ARUYONNFJRWTFZ-UHFFFAOYSA-N -1 0 395.415 3.497 20 30 GGEDRM C[C@@H](OC(=O)c1cccc(NC(=O)[O-])c1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000736695632 600000167 /nfs/dbraw/zinc/00/01/67/600000167.db2.gz CMARPINXDZUEKK-SNVBAGLBSA-N -1 0 399.428 3.382 20 30 GGEDRM CN(CC(C)(C)C)C(=O)C(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC000737406855 600001306 /nfs/dbraw/zinc/00/13/06/600001306.db2.gz QQDMEEWDXKSZFU-UHFFFAOYSA-N -1 0 392.455 3.228 20 30 GGEDRM Cc1[nH]c(C(=O)[C@H](C)OC(=O)CSc2ccc(C#N)cc2)c(C)c1C(=O)[O-] ZINC000738237969 600003024 /nfs/dbraw/zinc/00/30/24/600003024.db2.gz YGYQCBGGRORVNR-LBPRGKRZSA-N -1 0 386.429 3.108 20 30 GGEDRM CCc1nn(Cc2csc(-c3ccc(C(=O)[O-])cc3)n2)c(=O)c(C#N)c1CC ZINC000737284956 600003096 /nfs/dbraw/zinc/00/30/96/600003096.db2.gz MSLKBZDBNVPFBR-UHFFFAOYSA-N -1 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ZINC000736127672 600016907 /nfs/dbraw/zinc/01/69/07/600016907.db2.gz WQGYZRAQZHVKGL-SFHVURJKSA-N -1 0 382.391 3.328 20 30 GGEDRM Cc1cc(C(=O)[O-])c2sc(NC(=O)c3cc4ccccc4n3CC#N)nc2n1 ZINC000738346180 600047626 /nfs/dbraw/zinc/04/76/26/600047626.db2.gz NSAVXOFUOVDCPB-UHFFFAOYSA-N -1 0 391.412 3.429 20 30 GGEDRM O=C([O-])COc1ccc(C(=O)/C=C\c2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000739818915 600056624 /nfs/dbraw/zinc/05/66/24/600056624.db2.gz HWAZXKGCFGPEET-WAPJZHGLSA-N -1 0 385.391 3.022 20 30 GGEDRM N#Cc1cc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2C(=O)[O-])ccc1F ZINC000739098369 600057674 /nfs/dbraw/zinc/05/76/74/600057674.db2.gz CUELWSWZFYCVDB-UHFFFAOYSA-N -1 0 388.298 3.215 20 30 GGEDRM Cc1cccc(C[C@H](CNC(=O)CSCc2ccc(C#N)cc2)C(=O)[O-])c1 ZINC000237668929 600060503 /nfs/dbraw/zinc/06/05/03/600060503.db2.gz XRILAWIFGHNBHM-LJQANCHMSA-N -1 0 382.485 3.160 20 30 GGEDRM N#CCCN(C(=O)CCC(=O)NC1(C(=O)[O-])CCCCCC1)c1ccccc1 ZINC000739072815 600061205 /nfs/dbraw/zinc/06/12/05/600061205.db2.gz MWUNXMDAFCWUKF-UHFFFAOYSA-N 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GGEDRM N#Cc1ccc(OC2CCN(C(=O)Nc3ccc(C(=O)[O-])cc3F)CC2)cc1 ZINC000739121182 600401486 /nfs/dbraw/zinc/40/14/86/600401486.db2.gz LSCLKGBADZKHPY-UHFFFAOYSA-N -1 0 383.379 3.471 20 30 GGEDRM CC[C@@H](C)[C@@H](NC(=O)CSc1nc(-c2ccccc2)ccc1C#N)C(=O)[O-] ZINC000736872559 600403038 /nfs/dbraw/zinc/40/30/38/600403038.db2.gz ILXXCGFSQSPWQK-FZKQIMNGSA-N -1 0 383.473 3.328 20 30 GGEDRM Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)N(CC#N)CC(=O)[O-] ZINC000738827679 600408184 /nfs/dbraw/zinc/40/81/84/600408184.db2.gz MBCQWTYKFVBKRU-UHFFFAOYSA-N -1 0 383.351 3.188 20 30 GGEDRM Cc1nn(-c2cccc(Cl)c2)c2sc(C(=O)N(CC#N)CC(=O)[O-])cc12 ZINC000738902938 600410003 /nfs/dbraw/zinc/41/00/03/600410003.db2.gz QEWBAPPNXUWQST-UHFFFAOYSA-N -1 0 388.836 3.099 20 30 GGEDRM Cc1oc(CN(C)CC(=O)[C@H](C#N)c2nc3ccccc3s2)cc1C(=O)[O-] ZINC000738966380 600430552 /nfs/dbraw/zinc/43/05/52/600430552.db2.gz BSJVMNVGMCIVRO-AWEZNQCLSA-N -1 0 383.429 3.204 20 30 GGEDRM Cc1oc(CN(C)CC(=O)[C@@H](C#N)c2nc3ccccc3s2)cc1C(=O)[O-] ZINC000738966382 600430682 /nfs/dbraw/zinc/43/06/82/600430682.db2.gz BSJVMNVGMCIVRO-CQSZACIVSA-N -1 0 383.429 3.204 20 30 GGEDRM C[C@@H]1CCc2c(sc(NC(=O)CN(CC#N)C3CCCC3)c2C(=O)[O-])C1 ZINC000736802874 600437429 /nfs/dbraw/zinc/43/74/29/600437429.db2.gz RFOBRZOUFKBWBU-GFCCVEGCSA-N -1 0 375.494 3.278 20 30 GGEDRM C[C@H]1CCc2c(sc(NC(=O)CN(CC#N)C3CCCC3)c2C(=O)[O-])C1 ZINC000736802879 600437873 /nfs/dbraw/zinc/43/78/73/600437873.db2.gz RFOBRZOUFKBWBU-LBPRGKRZSA-N -1 0 375.494 3.278 20 30 GGEDRM Cc1cnn(CCNC(=O)Nc2cccc(C#Cc3cccc(C(=O)[O-])c3)c2)c1 ZINC000738813999 600463755 /nfs/dbraw/zinc/46/37/55/600463755.db2.gz KAIBZQABPUDQTC-UHFFFAOYSA-N -1 0 388.427 3.111 20 30 GGEDRM N#Cc1ccc(Nc2cccc(C(=O)OCc3noc(CCC(=O)[O-])n3)c2)cc1 ZINC000739121901 600468052 /nfs/dbraw/zinc/46/80/52/600468052.db2.gz YUCZCQZTYCHDKY-UHFFFAOYSA-N -1 0 392.371 3.059 20 30 GGEDRM C=CCN(CC1CCCCC1)C(=O)Nc1ccc(C(=O)NCCC(=O)[O-])cc1 ZINC000736108278 600468272 /nfs/dbraw/zinc/46/82/72/600468272.db2.gz RYYYIWKJBUROAE-UHFFFAOYSA-N -1 0 387.480 3.491 20 30 GGEDRM C[C@](O)(CNC(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1)C1CC1 ZINC000736671448 600468454 /nfs/dbraw/zinc/46/84/54/600468454.db2.gz UDBUGMRXVFFUOF-QFIPXVFZSA-N -1 0 378.428 3.067 20 30 GGEDRM C=CCN(CC1CCCCC1)C(=O)C(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000736108494 600471383 /nfs/dbraw/zinc/47/13/83/600471383.db2.gz VRFOBOZTUQSGIA-UHFFFAOYSA-N -1 0 377.416 3.449 20 30 GGEDRM COc1cccc(C=Nc2cccc(C(=O)N3CCCC[C@H]3C(=O)[O-])c2)c1O ZINC000738095388 600473353 /nfs/dbraw/zinc/47/33/53/600473353.db2.gz GHEDAEWIPMQPBB-KRWDZBQOSA-N -1 0 382.416 3.231 20 30 GGEDRM CSC[C@](C)(O)CNC(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC000738188348 600475931 /nfs/dbraw/zinc/47/59/31/600475931.db2.gz HRTQOWDACIKVKM-OAQYLSRUSA-N -1 0 398.484 3.020 20 30 GGEDRM Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000738869237 600480338 /nfs/dbraw/zinc/48/03/38/600480338.db2.gz HHOPJWINXQCXEL-UHFFFAOYSA-N -1 0 397.822 3.141 20 30 GGEDRM O=C([O-])CCN(C[C@@H]1CCCO1)C(=O)c1ccc(C#Cc2ccccc2)cc1 ZINC000539607874 600488237 /nfs/dbraw/zinc/48/82/37/600488237.db2.gz CIKSBAURHRRSEY-NRFANRHFSA-N -1 0 377.440 3.182 20 30 GGEDRM COc1c(C(=O)Nc2cccc(C#Cc3cccc(C(=O)[O-])c3)c2)c(C)nn1C ZINC000737840400 600490260 /nfs/dbraw/zinc/49/02/60/600490260.db2.gz ZCOKPECLVNILRV-UHFFFAOYSA-N -1 0 389.411 3.087 20 30 GGEDRM N#Cc1ccc(Oc2cccc(C(=O)N(CCC(=O)[O-])C[C@H]3CCCO3)c2)cc1 ZINC000739129715 600490383 /nfs/dbraw/zinc/49/03/83/600490383.db2.gz AUHXYIVJCBRFAN-HXUWFJFHSA-N -1 0 394.427 3.446 20 30 GGEDRM Cc1ccc(C#N)cc1S(=O)(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC000738504604 600493131 /nfs/dbraw/zinc/49/31/31/600493131.db2.gz XPDGPYSBQGPRJV-UHFFFAOYSA-N -1 0 390.486 3.375 20 30 GGEDRM N#Cc1ccccc1OCc1cccc(C(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)c1 ZINC000739146682 600495292 /nfs/dbraw/zinc/49/52/92/600495292.db2.gz LEOGXCOEODFZBN-LJQANCHMSA-N -1 0 390.439 3.464 20 30 GGEDRM N#Cc1cnc(N2CCN([C@H](C(=O)[O-])c3ccc(Cl)cc3)CC2)c(Cl)c1 ZINC000739142492 600502668 /nfs/dbraw/zinc/50/26/68/600502668.db2.gz NMBOEZAIZDIEKT-INIZCTEOSA-N -1 0 391.258 3.208 20 30 GGEDRM CC1=C(C(=O)C(=O)[O-])[C@@H](c2ccc(F)c(F)c2)NC(=O)N1Cc1ccccc1 ZINC000736745239 600505044 /nfs/dbraw/zinc/50/50/44/600505044.db2.gz GRMGJAQQJZVAIN-QGZVFWFLSA-N -1 0 386.354 3.159 20 30 GGEDRM CCc1ccc([C@H]2NC(=O)N(Cc3ccccc3)C(C)=C2C(=O)C(=O)[O-])cc1 ZINC000737260465 600505141 /nfs/dbraw/zinc/50/51/41/600505141.db2.gz NTXYTMMNWRJABA-LJQANCHMSA-N -1 0 378.428 3.443 20 30 GGEDRM Cc1ccc([C@H]2NC(=O)N(CCc3cccs3)C(C)=C2C(=O)C(=O)[O-])cc1 ZINC000736748646 600506843 /nfs/dbraw/zinc/50/68/43/600506843.db2.gz YGPLHTCASRSCGI-QGZVFWFLSA-N -1 0 384.457 3.293 20 30 GGEDRM CC1=C(C(=O)C(=O)[O-])[C@@H](c2ccccc2F)NC(=O)N1CCc1cccs1 ZINC000736746889 600507124 /nfs/dbraw/zinc/50/71/24/600507124.db2.gz PGMGYYJDTMXUBZ-MRXNPFEDSA-N -1 0 388.420 3.124 20 30 GGEDRM CC(C)(C)c1ccc([C@@H](CC(=O)[O-])NC(=O)C(=O)Nc2ccc(C#N)cc2)cc1 ZINC000736296744 600508185 /nfs/dbraw/zinc/50/81/85/600508185.db2.gz KKZNMGPWIRGYDC-GOSISDBHSA-N -1 0 393.443 3.126 20 30 GGEDRM C#Cc1cccc(NC(=O)C(=O)N[C@@H](CC(=O)[O-])c2ccc(C(C)(C)C)cc2)c1 ZINC000736091319 600508453 /nfs/dbraw/zinc/50/84/53/600508453.db2.gz PJXDTACDSOQIAU-IBGZPJMESA-N -1 0 392.455 3.236 20 30 GGEDRM CCc1cc(CNC(=O)Nc2cccc(C#Cc3cccc(C(=O)[O-])c3)c2)[nH]n1 ZINC000737254139 600510045 /nfs/dbraw/zinc/51/00/45/600510045.db2.gz OMXWJXKBZXERPH-UHFFFAOYSA-N -1 0 388.427 3.392 20 30 GGEDRM CN(C)c1nc(=NN=Cc2ccccc2OCc2ccc(C(=O)[O-])cc2)cc[nH]1 ZINC000737383409 600515904 /nfs/dbraw/zinc/51/59/04/600515904.db2.gz FECDACQIYWTWMI-UHFFFAOYSA-N -1 0 391.431 3.266 20 30 GGEDRM CC(C)C[C@H](O)CNC(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC000736423866 600548359 /nfs/dbraw/zinc/54/83/59/600548359.db2.gz FIHMHVQJYJNVSB-FQEVSTJZSA-N -1 0 380.444 3.313 20 30 GGEDRM C#CCSCCNc1ccc(C(=O)c2ccccc2C(=O)[O-])cc1[N+](=O)[O-] ZINC000736088447 600561407 /nfs/dbraw/zinc/56/14/07/600561407.db2.gz VSQOONWYZCJSRY-UHFFFAOYSA-N -1 0 384.413 3.302 20 30 GGEDRM N#Cc1ccc([C@@H](C(=O)[O-])N2CCN(C(=O)CCC3CCCCC3)CC2)cc1 ZINC000739105778 600565526 /nfs/dbraw/zinc/56/55/26/600565526.db2.gz OBOLYWIAUUUZEP-NRFANRHFSA-N -1 0 383.492 3.189 20 30 GGEDRM C[C@H]1CN([C@@H](C(=O)[O-])c2ccc(C#N)cc2)CCN1c1nc2ccccc2o1 ZINC000736811405 600568417 /nfs/dbraw/zinc/56/84/17/600568417.db2.gz YVCAQBGFHSTCCX-IFXJQAMLSA-N -1 0 376.416 3.036 20 30 GGEDRM N#Cc1ccc([C@H](Nc2ccc3nc(N4CCOCC4)sc3c2)C(=O)[O-])cc1 ZINC000739108822 600591961 /nfs/dbraw/zinc/59/19/61/600591961.db2.gz HMNJZVODIUKOOC-SFHVURJKSA-N -1 0 394.456 3.242 20 30 GGEDRM C[C@@H](C(=O)Nc1cccc(N[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c1)n1cccn1 ZINC000736219073 600592918 /nfs/dbraw/zinc/59/29/18/600592918.db2.gz UAFTXQKGILQGIN-IFXJQAMLSA-N -1 0 389.415 3.192 20 30 GGEDRM N#Cc1ccc(OCC(=O)NC[C@H](Cc2cccc3ccccc32)C(=O)[O-])cc1 ZINC000486368319 600599282 /nfs/dbraw/zinc/59/92/82/600599282.db2.gz FRCOKUSRTCPECR-IBGZPJMESA-N -1 0 388.423 3.150 20 30 GGEDRM N#Cc1ccc(NCC(=O)NC[C@@H](Cc2cccc3ccccc32)C(=O)[O-])cc1 ZINC000739121035 600599747 /nfs/dbraw/zinc/59/97/47/600599747.db2.gz JUGUPFMJADFGDS-LJQANCHMSA-N -1 0 387.439 3.183 20 30 GGEDRM N#Cc1ccccc1OCC(=O)NC[C@@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC000739146458 600601271 /nfs/dbraw/zinc/60/12/71/600601271.db2.gz FAYDDWRCMUIGQD-LJQANCHMSA-N -1 0 388.423 3.150 20 30 GGEDRM CON=Cc1ccc(C(=O)NC[C@@H](Cc2cccc3ccccc32)C(=O)[O-])cc1 ZINC000737839848 600601299 /nfs/dbraw/zinc/60/12/99/600601299.db2.gz QMHOJSABLSPLII-HXUWFJFHSA-N -1 0 390.439 3.493 20 30 GGEDRM N#Cc1ccc([C@@H](OC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)C(=O)[O-])cc1 ZINC000739115461 600604310 /nfs/dbraw/zinc/60/43/10/600604310.db2.gz QRSKSDNMXJIVOS-RBUKOAKNSA-N -1 0 381.384 3.099 20 30 GGEDRM N#Cc1ccc([C@H](OC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C(=O)[O-])cc1 ZINC000739114655 600604410 /nfs/dbraw/zinc/60/44/10/600604410.db2.gz JQJXJZAIMFFCGR-KRWDZBQOSA-N -1 0 381.344 3.023 20 30 GGEDRM N#Cc1ccc(OCC(=O)NC[C@H](Cc2ccc3ccccc3c2)C(=O)[O-])cc1 ZINC000486379295 600604896 /nfs/dbraw/zinc/60/48/96/600604896.db2.gz KEMFHXJWMOBPKR-FQEVSTJZSA-N -1 0 388.423 3.150 20 30 GGEDRM N#Cc1ccc([C@H](OC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C(=O)[O-])cc1 ZINC000739116034 600605090 /nfs/dbraw/zinc/60/50/90/600605090.db2.gz XVGRPUOYVFZXFX-SFHVURJKSA-N -1 0 395.371 3.049 20 30 GGEDRM N#Cc1ccc([C@@H](OC(=O)/C=C\c2ccc(Br)o2)C(=O)[O-])cc1 ZINC000739109874 600605170 /nfs/dbraw/zinc/60/51/70/600605170.db2.gz NZZWKPFYPHRONI-DDJMYBDESA-N -1 0 376.162 3.296 20 30 GGEDRM COc1cccc(C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c1OC(F)F ZINC000738090167 600605992 /nfs/dbraw/zinc/60/59/92/600605992.db2.gz PUNUVUKNDIBDEC-CQSZACIVSA-N -1 0 377.299 3.151 20 30 GGEDRM CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000736137754 600606301 /nfs/dbraw/zinc/60/63/01/600606301.db2.gz XYWGSVFCCBVKAR-TZIWHRDSSA-N -1 0 390.395 3.191 20 30 GGEDRM N#Cc1ccc([C@@H](OC(=O)c2cccc(OC[C@H]3CCCO3)c2)C(=O)[O-])cc1 ZINC000739115530 600606386 /nfs/dbraw/zinc/60/63/86/600606386.db2.gz SIHLKUWVUXNVQL-RTBURBONSA-N -1 0 381.384 3.099 20 30 GGEDRM CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000736137741 600606389 /nfs/dbraw/zinc/60/63/89/600606389.db2.gz XYWGSVFCCBVKAR-FPOVZHCZSA-N -1 0 390.395 3.191 20 30 GGEDRM COc1ccc2nc(C)c(C(=O)O[C@H](C(=O)[O-])c3ccc(C#N)cc3)cc2c1 ZINC000738078755 600606716 /nfs/dbraw/zinc/60/67/16/600606716.db2.gz KUTKQBFUSIKPFB-IBGZPJMESA-N -1 0 376.368 3.406 20 30 GGEDRM COc1ccc(Br)c(C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC000737917321 600607510 /nfs/dbraw/zinc/60/75/10/600607510.db2.gz BGHKQCSQHGGMCB-HNNXBMFYSA-N -1 0 390.189 3.312 20 30 GGEDRM Cc1[nH]c(C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)c(C)c1C(=O)OC(C)C ZINC000738243189 600607948 /nfs/dbraw/zinc/60/79/48/600607948.db2.gz CSMUYFUYQGVNGF-KRWDZBQOSA-N -1 0 384.388 3.051 20 30 GGEDRM COc1ccc(C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1Br ZINC000737950111 600608576 /nfs/dbraw/zinc/60/85/76/600608576.db2.gz XQCYZTQRGYBGSI-OAHLLOKOSA-N -1 0 390.189 3.312 20 30 GGEDRM Cc1oc(-n2cccc2)c(C#N)c1C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000738957347 600608637 /nfs/dbraw/zinc/60/86/37/600608637.db2.gz JRFMBAVZJFVQNG-QGZVFWFLSA-N -1 0 375.340 3.105 20 30 GGEDRM N#Cc1ccc([C@H](OC(=O)c2ccc(Cl)c(N3CCCC3=O)c2)C(=O)[O-])cc1 ZINC000739114572 600609198 /nfs/dbraw/zinc/60/91/98/600609198.db2.gz INCZYAWDCOFLIR-SFHVURJKSA-N -1 0 398.802 3.321 20 30 GGEDRM N#Cc1ccc([C@H](OC(=O)c2cc(Cl)c3c(c2)OCCCO3)C(=O)[O-])cc1 ZINC000739114565 600609211 /nfs/dbraw/zinc/60/92/11/600609211.db2.gz IJIROZZNUJQULE-INIZCTEOSA-N -1 0 387.775 3.356 20 30 GGEDRM Cc1cc(C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)c2cnn(C(C)C)c2n1 ZINC000738347460 600609480 /nfs/dbraw/zinc/60/94/80/600609480.db2.gz MUWAOHKIMGSUQY-KRWDZBQOSA-N -1 0 378.388 3.175 20 30 GGEDRM C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000736764944 600610444 /nfs/dbraw/zinc/61/04/44/600610444.db2.gz IDGHYNHKNQIHEW-PJSAGSTRSA-N -1 0 378.384 3.135 20 30 GGEDRM C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC000736765100 600610524 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N#Cc1cccc([C@@H](OC(=O)c2ccc(F)cc2Br)C(=O)[O-])c1 ZINC000833075475 601346883 /nfs/dbraw/zinc/34/68/83/601346883.db2.gz BMRJDHSJSIJDPL-CQSZACIVSA-N -1 0 378.153 3.443 20 30 GGEDRM Cc1nn(-c2ccccc2)c(C)c1CC(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000833011621 601347019 /nfs/dbraw/zinc/34/70/19/601347019.db2.gz MWPNSAMCNVQTJB-OAQYLSRUSA-N -1 0 389.411 3.272 20 30 GGEDRM N#Cc1cccc([C@H](OC(=O)c2ccc(Cl)c(N3CCCC3=O)c2)C(=O)[O-])c1 ZINC000833077291 601347083 /nfs/dbraw/zinc/34/70/83/601347083.db2.gz OMDLCKDDEFQJJP-SFHVURJKSA-N -1 0 398.802 3.321 20 30 GGEDRM CSc1nc(C2CC2)cc(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)c1C#N ZINC000832795101 601347632 /nfs/dbraw/zinc/34/76/32/601347632.db2.gz STXGEMPCLFROSC-QGZVFWFLSA-N -1 0 393.424 3.407 20 30 GGEDRM N#Cc1cccc([C@H](OC(=O)c2cc(F)ccc2Br)C(=O)[O-])c1 ZINC000833077218 601347868 /nfs/dbraw/zinc/34/78/68/601347868.db2.gz NJNNIUNCGVTNLJ-AWEZNQCLSA-N -1 0 378.153 3.443 20 30 GGEDRM Cc1cc(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)c(C)n1Cc1ccccn1 ZINC000832868018 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GGEDRM Cc1cc(Br)cc(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)c1N ZINC000832858133 601353010 /nfs/dbraw/zinc/35/30/10/601353010.db2.gz BJMHTAWYZNUYPF-HNNXBMFYSA-N -1 0 389.205 3.194 20 30 GGEDRM Cc1cc(C)n(-c2ccc(C(=O)O[C@@H](C(=O)[O-])c3cccc(C#N)c3)cc2F)n1 ZINC000832879315 601353217 /nfs/dbraw/zinc/35/32/17/601353217.db2.gz GVKLLMAMXARYMN-LJQANCHMSA-N -1 0 393.374 3.483 20 30 GGEDRM Cc1ccc(Nc2cccc(C(=O)O[C@@H](C(=O)[O-])c3cccc(C#N)c3)c2)nn1 ZINC000832950108 601353775 /nfs/dbraw/zinc/35/37/75/601353775.db2.gz BAANYMIIRJQZLT-LJQANCHMSA-N -1 0 388.383 3.383 20 30 GGEDRM COc1cc2cc(C(=O)O[C@@H](C(=O)[O-])c3cccc(C#N)c3)[nH]c2cc1OC ZINC000832112939 601353936 /nfs/dbraw/zinc/35/39/36/601353936.db2.gz ZWXCUNUCALVUHU-GOSISDBHSA-N -1 0 380.356 3.039 20 30 GGEDRM CC(C)C(=O)N(C)Cc1ccc(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000826652048 601354557 /nfs/dbraw/zinc/35/45/57/601354557.db2.gz SITKLGSPXFDNGD-IBGZPJMESA-N -1 0 394.427 3.155 20 30 GGEDRM Cc1c(N)c(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)ccc1Br ZINC000832848004 601354702 /nfs/dbraw/zinc/35/47/02/601354702.db2.gz IOSZGYUUOYHUDO-HNNXBMFYSA-N -1 0 389.205 3.194 20 30 GGEDRM N#Cc1cccc([C@@H](OC(=O)c2ccn(-c3c(F)cccc3F)n2)C(=O)[O-])c1 ZINC000833077395 601356051 /nfs/dbraw/zinc/35/60/51/601356051.db2.gz RCTSVKDWTOZPGR-QGZVFWFLSA-N -1 0 383.310 3.005 20 30 GGEDRM N#Cc1ccc([C@@H](OC(=O)c2ccc(-c3nc(C4CC4)no3)cc2)C(=O)[O-])cc1 ZINC000833072786 601359650 /nfs/dbraw/zinc/35/96/50/601359650.db2.gz QCROSEDUVWMZHJ-QGZVFWFLSA-N -1 0 389.367 3.468 20 30 GGEDRM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000832919439 601385376 /nfs/dbraw/zinc/38/53/76/601385376.db2.gz KYRLNWFQURVFBH-ROUUACIJSA-N -1 0 384.457 3.154 20 30 GGEDRM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000832919440 601385394 /nfs/dbraw/zinc/38/53/94/601385394.db2.gz KYRLNWFQURVFBH-ZWKOTPCHSA-N -1 0 384.457 3.154 20 30 GGEDRM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000832919437 601385428 /nfs/dbraw/zinc/38/54/28/601385428.db2.gz KYRLNWFQURVFBH-MSOLQXFVSA-N -1 0 384.457 3.154 20 30 GGEDRM Cc1cc(S(=O)(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)ccc1C(=O)[O-] ZINC000832901603 601386067 /nfs/dbraw/zinc/38/60/67/601386067.db2.gz AZVPUESLOYPSBH-RBUKOAKNSA-N -1 0 384.457 3.154 20 30 GGEDRM N#C[C@H](c1ccccc1)[C@H]1CCCN1S(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC000833063820 601386117 /nfs/dbraw/zinc/38/61/17/601386117.db2.gz BEGFJWJDGMOADX-WFKXUCKUSA-N -1 0 396.468 3.245 20 30 GGEDRM Cc1c(C(=O)[O-])cccc1S(=O)(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000832851635 601386137 /nfs/dbraw/zinc/38/61/37/601386137.db2.gz BAEMHBOWMPJACE-ZWKOTPCHSA-N -1 0 384.457 3.154 20 30 GGEDRM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000833064418 601426796 /nfs/dbraw/zinc/42/67/96/601426796.db2.gz IWRUJVNWZQLAFF-ROUUACIJSA-N -1 0 379.372 3.205 20 30 GGEDRM CC(=O)c1[nH]c(CC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)c(C(=O)[O-])c1C ZINC000825929313 601427425 /nfs/dbraw/zinc/42/74/25/601427425.db2.gz PLFJUUIVSSNIOV-WMZOPIPTSA-N -1 0 393.443 3.065 20 30 GGEDRM N#Cc1ccc(-c2nnc(CN3C[C@@H](C4CCCCC4)C[C@H]3C(=O)[O-])o2)cc1 ZINC000833071184 601430907 /nfs/dbraw/zinc/43/09/07/601430907.db2.gz YCKCBNWAMKXMLU-ROUUACIJSA-N -1 0 380.448 3.464 20 30 GGEDRM N#Cc1ccc(-c2nnc(CN3C[C@@H](C4CCCCC4)C[C@@H]3C(=O)[O-])o2)cc1 ZINC000833071186 601431040 /nfs/dbraw/zinc/43/10/40/601431040.db2.gz YCKCBNWAMKXMLU-ZWKOTPCHSA-N -1 0 380.448 3.464 20 30 GGEDRM N#Cc1ccc([C@@H](OC(=O)c2ccn(-c3c(F)cccc3F)n2)C(=O)[O-])cc1 ZINC000833071622 601468698 /nfs/dbraw/zinc/46/86/98/601468698.db2.gz HVJCIHVPNGIQJT-QGZVFWFLSA-N -1 0 383.310 3.005 20 30 GGEDRM N#Cc1ccc([C@@H](OC(=O)c2c(F)cccc2Br)C(=O)[O-])cc1 ZINC000833071684 601468737 /nfs/dbraw/zinc/46/87/37/601468737.db2.gz IFYWYHUSGYIDOD-CQSZACIVSA-N -1 0 378.153 3.443 20 30 GGEDRM CN(C[C@H]1CCOC1)C(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC000830722484 601478118 /nfs/dbraw/zinc/47/81/18/601478118.db2.gz DHLLVXAFSPEXRH-GOSISDBHSA-N -1 0 378.428 3.285 20 30 GGEDRM C=CCc1cc(C(=O)N2CCc3ccccc3[C@H]2C(=O)[O-])cc(OC)c1OC ZINC000262544089 601483594 /nfs/dbraw/zinc/48/35/94/601483594.db2.gz SDISYGVGKZLIEP-IBGZPJMESA-N -1 0 381.428 3.257 20 30 GGEDRM C=CCc1cc(C(=O)N2CCc3ccccc3[C@@H]2C(=O)[O-])cc(OC)c1OC ZINC000262544090 601483717 /nfs/dbraw/zinc/48/37/17/601483717.db2.gz SDISYGVGKZLIEP-LJQANCHMSA-N -1 0 381.428 3.257 20 30 GGEDRM CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2cc(C)c(OCC(=O)[O-])c(C)c2)cc1 ZINC000830254050 601498779 /nfs/dbraw/zinc/49/87/79/601498779.db2.gz SJBGDTORIOOURL-GOSISDBHSA-N -1 0 394.427 3.290 20 30 GGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)c1nc(-c2cnn(C)c2)oc1C ZINC000825705540 601529800 /nfs/dbraw/zinc/52/98/00/601529800.db2.gz LOJJGHPOUHTKHX-UHFFFAOYSA-N -1 0 397.387 3.038 20 30 GGEDRM Cc1ccc(C(=O)[O-])cc1NC(=O)CN1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000832916803 601539996 /nfs/dbraw/zinc/53/99/96/601539996.db2.gz RWHJGUHADPZTOI-AZUAARDMSA-N -1 0 377.444 3.404 20 30 GGEDRM Cc1cc(C(=O)Nc2ncccc2OCCCC#N)cc(C)c1OCC(=O)[O-] ZINC000832867993 601563120 /nfs/dbraw/zinc/56/31/20/601563120.db2.gz ULWKQXZNTYCRQA-UHFFFAOYSA-N -1 0 383.404 3.097 20 30 GGEDRM CCN([C@@H](C)c1ccc(C#N)cc1)S(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1 ZINC000829602775 601571625 /nfs/dbraw/zinc/57/16/25/601571625.db2.gz ZNRCTPIVRZHWKY-NSHDSACASA-N -1 0 394.399 3.306 20 30 GGEDRM Cc1ccc(NS(=O)(=O)c2cc(Br)cc(C#N)c2)c(C(=O)[O-])c1 ZINC000832952842 601575276 /nfs/dbraw/zinc/57/52/76/601575276.db2.gz DLRGDZUCJQGMMS-UHFFFAOYSA-N -1 0 395.234 3.128 20 30 GGEDRM N#Cc1cc(F)c(C(=O)OCCOc2ccc(C(=O)[O-])cc2Cl)c(F)c1 ZINC000833068581 601607648 /nfs/dbraw/zinc/60/76/48/601607648.db2.gz CNXFZPZNXKABRV-UHFFFAOYSA-N -1 0 381.718 3.424 20 30 GGEDRM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1c(F)cc(C#N)cc1F ZINC000832917744 601607746 /nfs/dbraw/zinc/60/77/46/601607746.db2.gz RDNDUIMMHXGUKU-SNVBAGLBSA-N -1 0 388.326 3.027 20 30 GGEDRM N#Cc1cccc([C@@H](OC(=O)[C@H](O)c2cc(Cl)cc(Cl)c2)C(=O)[O-])c1 ZINC000833075150 601610761 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WHWBNEUKRKHASJ-ZDUSSCGKSA-N -1 0 382.445 3.276 20 30 GGEDRM C[C@H](Oc1ccc(C=NN2C(=S)N=NC2c2ccc(F)cc2)cc1)C(=O)[O-] ZINC000794887903 602071079 /nfs/dbraw/zinc/07/10/79/602071079.db2.gz WOLJTRDZBYEGSH-NSHDSACASA-N -1 0 386.408 3.107 20 30 GGEDRM CN(C(=O)c1c(F)cc(C#N)cc1F)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830518742 602089605 /nfs/dbraw/zinc/08/96/05/602089605.db2.gz HVTKEJKMUZQUPX-OAHLLOKOSA-N -1 0 384.260 3.152 20 30 GGEDRM COc1cc(C(=O)/C=C\c2ccc(O[C@@H](C)C(=O)[O-])cc2)cc(OC)c1OC ZINC000794692886 602105518 /nfs/dbraw/zinc/10/55/18/602105518.db2.gz YHXRLRNCBDCURW-SZNGSJQDSA-N -1 0 386.400 3.460 20 30 GGEDRM Cc1c(C(=O)/C=C\c2ccc(O[C@H](C)C(=O)[O-])cc2)nnn1-c1ccccc1 ZINC000794698237 602109247 /nfs/dbraw/zinc/10/92/47/602109247.db2.gz IABAGGVZLZBKEB-VSKPTYQZSA-N -1 0 377.400 3.324 20 30 GGEDRM C[C@@H](Oc1ccc(/C=C\C(=O)c2ccc(N3CCOC3=O)cc2)cc1)C(=O)[O-] ZINC000794707777 602109606 /nfs/dbraw/zinc/10/96/06/602109606.db2.gz NCCLBLYKXIIAOX-CNRJSHIUSA-N -1 0 381.384 3.391 20 30 GGEDRM C[C@H](Oc1ccc(/C=C\C(=O)c2cccc(N3CCOC3=O)c2)cc1)C(=O)[O-] ZINC000794707053 602109773 /nfs/dbraw/zinc/10/97/73/602109773.db2.gz ILSLRAIKKOCWJI-YHAOYDPOSA-N -1 0 381.384 3.391 20 30 GGEDRM C[C@@H](Oc1ccc(/C=C/C(=O)c2cccc(N3CCOC3=O)c2)cc1)C(=O)[O-] ZINC000794707050 602109780 /nfs/dbraw/zinc/10/97/80/602109780.db2.gz ILSLRAIKKOCWJI-DNGMOHDESA-N -1 0 381.384 3.391 20 30 GGEDRM Cc1c(C(=O)/C=C\c2ccc(O[C@H](C)C(=O)[O-])cc2)nnn1-c1ccc(F)cc1 ZINC000832848578 602110071 /nfs/dbraw/zinc/11/00/71/602110071.db2.gz HPDOASOWMXDAMX-WTKLMOFPSA-N -1 0 395.390 3.463 20 30 GGEDRM N#CC1(NC(=O)CNc2ccc(OCC(=O)[O-])c3ccccc23)CCCCC1 ZINC000833064974 602116062 /nfs/dbraw/zinc/11/60/62/602116062.db2.gz POHJVAIQYHRDDQ-UHFFFAOYSA-N -1 0 381.432 3.058 20 30 GGEDRM C=CCn1c(-c2cccs2)nn(CN(CC(=O)[O-])CC(F)(F)F)c1=S ZINC000825705771 602186477 /nfs/dbraw/zinc/18/64/77/602186477.db2.gz SCDDWMQCMNNZPX-UHFFFAOYSA-N -1 0 392.428 3.235 20 30 GGEDRM C=CCn1c(-c2cccc(Cl)c2)nn(CN2CC[C@H](C(=O)[O-])C2)c1=S ZINC000825705524 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391.445 3.184 20 30 GGEDRM CCCc1ccc(S(=O)(=O)[N-]C(=O)[C@H](C)NC(=O)c2cccs2)cc1 ZINC000045098526 1404052660 /nfs/dbraw/zinc/05/26/60/1404052660.db2.gz WFHGNAQUEKSYFS-LBPRGKRZSA-N -1 0 380.491 3.164 20 30 GGEDRM CCCc1ccc(S(=O)(=O)[N-]C(=O)[C@@H](C)NC(=O)c2cccs2)cc1 ZINC000045098525 1404052722 /nfs/dbraw/zinc/05/27/22/1404052722.db2.gz WFHGNAQUEKSYFS-GFCCVEGCSA-N -1 0 380.491 3.164 20 30 GGEDRM Cc1c(C(=O)[N-]S(=O)(=O)Cc2ccc(F)cc2)cnn1-c1ccc(F)cc1 ZINC000045100146 1404053977 /nfs/dbraw/zinc/05/39/77/1404053977.db2.gz AZRNLWHHVCMGAC-UHFFFAOYSA-N -1 0 391.399 3.294 20 30 GGEDRM CCCn1c2ccc(S(=O)(=O)[N-]C(=O)CCc3ccccc3)cc2[nH]c1=O ZINC000045100451 1404054115 /nfs/dbraw/zinc/05/41/15/1404054115.db2.gz IXYNBNHSWQJEFR-UHFFFAOYSA-N -1 0 387.461 3.018 20 30 GGEDRM CCCn1c2ccc(S(=O)(=O)[N-]C(=O)CC3CCCCC3)cc2[nH]c1=O ZINC000045100403 1404054270 /nfs/dbraw/zinc/05/42/70/1404054270.db2.gz QYAFSPJWPYHCJH-UHFFFAOYSA-N -1 0 379.482 3.355 20 30 GGEDRM N#CC(=C([O-])c1nn(Cc2ccccc2)c(=O)c2ccccc21)c1ccccn1 ZINC000046439411 1404415807 /nfs/dbraw/zinc/41/58/07/1404415807.db2.gz OMJNXXAFFXKIBK-LJQANCHMSA-N -1 0 380.407 3.330 20 30 GGEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)COc2cccc(Br)c2)cc1 ZINC000046927359 1404638113 /nfs/dbraw/zinc/63/81/13/1404638113.db2.gz SRDCJBXTKPIYOO-UHFFFAOYSA-N -1 0 384.251 3.482 20 30 GGEDRM O=C([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000046927576 1404638206 /nfs/dbraw/zinc/63/82/06/1404638206.db2.gz IEYBMNZRTHGCTA-UHFFFAOYSA-N -1 0 385.195 3.051 20 30 GGEDRM Cc1ccccc1S(=O)(=O)[N-]C(=O)COc1cccc(Br)c1 ZINC000046927907 1404638313 /nfs/dbraw/zinc/63/83/13/1404638313.db2.gz WQXXJNZHRJUEMV-UHFFFAOYSA-N -1 0 384.251 3.482 20 30 GGEDRM COc1ccc(Br)c(C(=O)[N-]S(=O)(=O)c2ccc(C)cc2)c1 ZINC000046927524 1404638519 /nfs/dbraw/zinc/63/85/19/1404638519.db2.gz IIDYPXUCOQGCQQ-UHFFFAOYSA-N -1 0 384.251 3.460 20 30 GGEDRM CCOc1ccc(Br)cc1S(=O)(=O)[N-]C(=O)c1ccc(C)o1 ZINC000046928387 1404638638 /nfs/dbraw/zinc/63/86/38/1404638638.db2.gz AQURXQANOMKKQB-UHFFFAOYSA-N -1 0 388.239 3.443 20 30 GGEDRM N#Cc1cc(COC(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)ccn1 ZINC000826383679 1426170909 /nfs/dbraw/zinc/17/09/09/1426170909.db2.gz LHBSYNRBTZHDHM-UHFFFAOYSA-N -1 0 398.382 3.283 20 30 GGEDRM Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)[N-]S(=O)(=O)c1ccccc1 ZINC000048404160 1405179927 /nfs/dbraw/zinc/17/99/27/1405179927.db2.gz CHAFMQLZHPMTDS-GOSISDBHSA-N -1 0 388.489 3.485 20 30 GGEDRM Cn1ncc(C(=O)[N-]S(=O)(=O)c2ccc3ccccc3c2)c1-n1cccc1 ZINC000048408122 1405180825 /nfs/dbraw/zinc/18/08/25/1405180825.db2.gz ZRFFMOGOLRQOSL-UHFFFAOYSA-N -1 0 380.429 3.058 20 30 GGEDRM O=C([N-]S(=O)(=O)c1ccccc1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000048407398 1405180941 /nfs/dbraw/zinc/18/09/41/1405180941.db2.gz IXFRALGGHKXRNW-GFCCVEGCSA-N -1 0 378.837 3.038 20 30 GGEDRM CC(=O)NCc1ccc(C(=O)[N-]S(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC000048407913 1405181096 /nfs/dbraw/zinc/18/10/96/1405181096.db2.gz LJKSXKBGEJQKPB-UHFFFAOYSA-N -1 0 382.441 3.169 20 30 GGEDRM O=C(CCNC(=O)Cc1ccccc1)[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000048407796 1405181207 /nfs/dbraw/zinc/18/12/07/1405181207.db2.gz UKIDQOICIBALFG-UHFFFAOYSA-N -1 0 396.468 3.234 20 30 GGEDRM CC(C)(C)n1nc(C(=O)[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1C1CC1 ZINC000048419572 1405184681 /nfs/dbraw/zinc/18/46/81/1405184681.db2.gz LRGIPWFLLYPQOL-UHFFFAOYSA-N -1 0 392.437 3.117 20 30 GGEDRM Cc1ccc(C(=O)N[C@H](C(=O)[N-]S(=O)(=O)c2ccc(C)cc2)C(C)C)cc1 ZINC000048420799 1405185600 /nfs/dbraw/zinc/18/56/00/1405185600.db2.gz JXUMNUXRUREIFE-SFHVURJKSA-N -1 0 388.489 3.403 20 30 GGEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CC(=O)N(c3cccc(C)c3C)C2)cc1 ZINC000048421210 1405185920 /nfs/dbraw/zinc/18/59/20/1405185920.db2.gz RZEYHQVETJCEIA-MRXNPFEDSA-N -1 0 386.473 3.310 20 30 GGEDRM Cc1cc(Br)ccc1C(=O)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000048423397 1405186442 /nfs/dbraw/zinc/18/64/42/1405186442.db2.gz QOQKOYFDZYNPOC-UHFFFAOYSA-N -1 0 399.222 3.359 20 30 GGEDRM O=C([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1sccc1Br ZINC000048423385 1405186870 /nfs/dbraw/zinc/18/68/70/1405186870.db2.gz ADMOQJAMXOKZEZ-UHFFFAOYSA-N -1 0 391.224 3.112 20 30 GGEDRM Cc1cccc(N2C[C@@H](C(=O)[N-]S(=O)(=O)c3ccccc3C)CC2=O)c1C ZINC000048424673 1405187142 /nfs/dbraw/zinc/18/71/42/1405187142.db2.gz CDASGCIIBJTDSG-INIZCTEOSA-N -1 0 386.473 3.310 20 30 GGEDRM Cc1ccccc1S(=O)(=O)[N-]C(=O)c1nn(CC(C)C)c(=O)c2ccccc21 ZINC000048424641 1405187186 /nfs/dbraw/zinc/18/71/86/1405187186.db2.gz MXRZTUCOGCEBIJ-UHFFFAOYSA-N -1 0 399.472 3.054 20 30 GGEDRM Cc1ccccc1S(=O)(=O)[N-]C(=O)c1ccc(CSc2nccn2C)o1 ZINC000048426623 1405187565 /nfs/dbraw/zinc/18/75/65/1405187565.db2.gz XACYKODKYTXLGE-UHFFFAOYSA-N -1 0 391.474 3.307 20 30 GGEDRM CCc1ccc(N2C[C@@H](C(=O)[N-]S(=O)(=O)c3cccs3)CC2=O)cc1 ZINC000048427536 1405188465 /nfs/dbraw/zinc/18/84/65/1405188465.db2.gz BBPNPBODLWALOM-ZDUSSCGKSA-N -1 0 378.475 3.009 20 30 GGEDRM O=C([N-]S(=O)(=O)c1cccs1)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000048427853 1405188480 /nfs/dbraw/zinc/18/84/80/1405188480.db2.gz JODGUIVBAIWICI-SNVBAGLBSA-N -1 0 384.866 3.100 20 30 GGEDRM 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390.487 3.305 20 30 GGEDRM COc1ccc(CCNC(=O)C(C#N)=C([O-])c2csc(-c3ccoc3)n2)cc1 ZINC000108624722 1411559423 /nfs/dbraw/zinc/55/94/23/1411559423.db2.gz ZPUKFOPRCQSNGY-INIZCTEOSA-N -1 0 395.440 3.093 20 30 GGEDRM COc1ccc(CCNC(=O)C(C#N)=C([O-])c2csc(-c3ccoc3)n2)cc1 ZINC000108624724 1411559873 /nfs/dbraw/zinc/55/98/73/1411559873.db2.gz ZPUKFOPRCQSNGY-MRXNPFEDSA-N -1 0 395.440 3.093 20 30 GGEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)c2csc(-c3ccoc3)n2)cc1Cl ZINC000108626206 1411560574 /nfs/dbraw/zinc/56/05/74/1411560574.db2.gz VDXYEYFLEWMVQY-UHFFFAOYSA-N -1 0 393.833 3.047 20 30 GGEDRM N#Cc1cccc(CNS(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2Cl)c1 ZINC000108985200 1411654491 /nfs/dbraw/zinc/65/44/91/1411654491.db2.gz NCCDDOIODXADHP-UHFFFAOYSA-N -1 0 385.228 3.042 20 30 GGEDRM C[C@H](CC#N)Sc1ccccc1[N-]S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000108985314 1411654496 /nfs/dbraw/zinc/65/44/96/1411654496.db2.gz TZJQPZBJEJSKGO-LLVKDONJSA-N -1 0 388.474 3.051 20 30 GGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cnc3ccccc3n2)cc1C(F)(F)F ZINC000177090585 1428585064 /nfs/dbraw/zinc/58/50/64/1428585064.db2.gz UKPQXPRUIXNSRM-UHFFFAOYSA-N -1 0 378.335 3.321 20 30 GGEDRM Cc1c(C([O-])=C(C#N)c2nc3ccccc3[nH]2)nnn1-c1cccc2ncccc21 ZINC000109038263 1411668473 /nfs/dbraw/zinc/66/84/73/1411668473.db2.gz FZELAJSSLUSLBP-OAHLLOKOSA-N -1 0 393.410 3.490 20 30 GGEDRM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]c1ccc(F)c(C#N)c1 ZINC000109244977 1411725009 /nfs/dbraw/zinc/72/50/09/1411725009.db2.gz JZYFLYYCCPFBGI-UHFFFAOYSA-N -1 0 390.417 3.499 20 30 GGEDRM C#CCN(Cc1ccc(F)cc1)C(=O)c1nn(-c2ccc(OC)cc2)cc1[O-] ZINC000177122721 1428594347 /nfs/dbraw/zinc/59/43/47/1428594347.db2.gz STKYENHAHIRTCE-UHFFFAOYSA-N -1 0 379.391 3.001 20 30 GGEDRM CC(/C=C/C(=O)c1ccc(S(=O)(=O)NCCC(=O)[O-])cc1)=C/c1ccccc1 ZINC000110090947 1411830791 /nfs/dbraw/zinc/83/07/91/1411830791.db2.gz BVDXNMRROXZKQD-WSIJZTIVSA-N -1 0 399.468 3.282 20 30 GGEDRM C=CCn1c(=O)c2ccc(C(=O)N[C@H](C)c3cccc(O)c3)cc2[n-]c1=S ZINC000110329658 1411845080 /nfs/dbraw/zinc/84/50/80/1411845080.db2.gz GIPYPKVOBLPWMQ-GFCCVEGCSA-N -1 0 381.457 3.442 20 30 GGEDRM N#Cc1cccc(OCCCCC(=O)[N-]S(=O)(=O)c2ccc3c(c2)CCC3)c1 ZINC000111943353 1412060348 /nfs/dbraw/zinc/06/03/48/1412060348.db2.gz VRNAPLQJLSRXFC-UHFFFAOYSA-N -1 0 398.484 3.101 20 30 GGEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)CCCCOc2cccc(C#N)c2)c(C)c1 ZINC000111942427 1412060765 /nfs/dbraw/zinc/06/07/65/1412060765.db2.gz XBBIJWYUDIASCW-UHFFFAOYSA-N -1 0 386.473 3.229 20 30 GGEDRM COc1ccc(OC)c(S(=O)(=O)[N-]c2cccc(C#Cc3ccccn3)c2)c1 ZINC000111994989 1412064956 /nfs/dbraw/zinc/06/49/56/1412064956.db2.gz ROMRGIAWHQCSDT-UHFFFAOYSA-N -1 0 394.452 3.299 20 30 GGEDRM Cn1cc(-c2ncc(C([O-])=C(C#N)c3ccc(C(F)(F)F)cn3)s2)cn1 ZINC000112222443 1412097319 /nfs/dbraw/zinc/09/73/19/1412097319.db2.gz GZCIMBVJAGKQNF-NSHDSACASA-N -1 0 377.351 3.447 20 30 GGEDRM Cn1cc(-c2ncc(C([O-])=C(C#N)c3ccc(C(F)(F)F)cn3)s2)cn1 ZINC000112222445 1412097510 /nfs/dbraw/zinc/09/75/10/1412097510.db2.gz GZCIMBVJAGKQNF-LLVKDONJSA-N -1 0 377.351 3.447 20 30 GGEDRM O=C1[C@H](/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])CCN1c1ccccc1F ZINC000112224141 1412098158 /nfs/dbraw/zinc/09/81/58/1412098158.db2.gz LRUYNBVQSCYVNO-PCQWDSEFSA-N -1 0 377.759 3.317 20 30 GGEDRM CC(=O)Nc1nc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)cs1 ZINC000113145365 1412268548 /nfs/dbraw/zinc/26/85/48/1412268548.db2.gz JRHCPMBIAHQWFS-SECBINFHSA-N -1 0 397.243 3.369 20 30 GGEDRM N#C[C@H](NC(=O)CCn1c(=O)c2ccccc2[n-]c1=S)c1ccc(Cl)cc1 ZINC000113179644 1412271238 /nfs/dbraw/zinc/27/12/38/1412271238.db2.gz TYRIQDMDAITGFC-INIZCTEOSA-N -1 0 398.875 3.110 20 30 GGEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)CCn1cnc2ccccc2c1=O ZINC000113283355 1412288262 /nfs/dbraw/zinc/28/82/62/1412288262.db2.gz BMVZBBRABLPFOH-KRWDZBQOSA-N -1 0 398.422 3.168 20 30 GGEDRM Cn1c(=O)[nH]c2cc(C([O-])=C(C#N)c3nc(-c4ccc(C#N)cc4)cs3)ccc21 ZINC000113656385 1412331182 /nfs/dbraw/zinc/33/11/82/1412331182.db2.gz JFFSXGRYKSOZMX-OAHLLOKOSA-N -1 0 399.435 3.352 20 30 GGEDRM COc1ccc(CCNC(=O)C(C#N)=C([O-])c2coc3ccccc23)cc1OC ZINC000113653077 1412331620 /nfs/dbraw/zinc/33/16/20/1412331620.db2.gz MLYRSVHSKVUTNT-INIZCTEOSA-N -1 0 392.411 3.131 20 30 GGEDRM CS(=O)(=O)Cc1ccc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)cc1 ZINC000114621506 1412480602 /nfs/dbraw/zinc/48/06/02/1412480602.db2.gz HTWUIUJXUHNCRP-INIZCTEOSA-N -1 0 397.481 3.240 20 30 GGEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cc(F)ccc1OC[C@@H]1CCCO1 ZINC000114674145 1412493602 /nfs/dbraw/zinc/49/36/02/1412493602.db2.gz MYBWYAREJFJGFA-INIZCTEOSA-N -1 0 390.436 3.364 20 30 GGEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1nc(CN2CCC[C@@H](C)C2)cs1 ZINC000114850032 1412541639 /nfs/dbraw/zinc/54/16/39/1412541639.db2.gz DIALHHQOAMBGQC-CYBMUJFWSA-N -1 0 390.534 3.356 20 30 GGEDRM CCOc1cc(C=CC(=O)c2c(C)n3c(c2-c2nn[n-]n2)CCC3)ccc1OC ZINC000736627031 1428667799 /nfs/dbraw/zinc/66/77/99/1428667799.db2.gz XHJHPZIUZRQELZ-VQHVLOKHSA-N -1 0 393.447 3.226 20 30 GGEDRM CN(CC#N)C(=O)c1cc2ccccc2cc1[N-]S(=O)(=O)c1cccs1 ZINC000116585194 1412883178 /nfs/dbraw/zinc/88/31/78/1412883178.db2.gz ZEJUWOPMSLJMCB-UHFFFAOYSA-N -1 0 385.470 3.298 20 30 GGEDRM C=CC[C@@H](C)NC(=O)c1ccc(OC)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000116852801 1412942646 /nfs/dbraw/zinc/94/26/46/1412942646.db2.gz UYDPWPYVHVRLFM-OAHLLOKOSA-N -1 0 388.489 3.499 20 30 GGEDRM C=CC[C@H](C)NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccccc2OC)c1 ZINC000116861881 1412943215 /nfs/dbraw/zinc/94/32/15/1412943215.db2.gz IZWRFYJYGHWNEW-HNNXBMFYSA-N -1 0 388.489 3.499 20 30 GGEDRM C=CC[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000116860021 1412943645 /nfs/dbraw/zinc/94/36/45/1412943645.db2.gz RUJRBCYENBVHNY-CYBMUJFWSA-N -1 0 389.433 3.090 20 30 GGEDRM COCCCNC(=O)C(C#N)=C([O-])c1ccc(-c2ccc(F)cc2C)c(F)c1 ZINC000117531911 1413049901 /nfs/dbraw/zinc/04/99/01/1413049901.db2.gz MEMZUTVEELNBOG-SFHVURJKSA-N -1 0 386.398 3.415 20 30 GGEDRM FC(F)(F)c1csc(N=NCc2c[nH]c3ccc(-c4nn[n-]n4)cc23)n1 ZINC000822728321 1428698127 /nfs/dbraw/zinc/69/81/27/1428698127.db2.gz GVMGTEOIYUGPEU-UHFFFAOYSA-N -1 0 378.343 3.269 20 30 GGEDRM Cc1nccc(-c2cccc([N-]S(=O)(=O)c3c(F)cc(C#N)cc3F)c2)n1 ZINC000177347947 1428701641 /nfs/dbraw/zinc/70/16/41/1428701641.db2.gz YOAPGACEXZHJNF-UHFFFAOYSA-N -1 0 386.383 3.403 20 30 GGEDRM COc1ccc(CNC(=O)C(C#N)=C([O-])c2nc(-c3ccco3)sc2C)cc1 ZINC000119364193 1413424888 /nfs/dbraw/zinc/42/48/88/1413424888.db2.gz WUIOZLQPCBUNRJ-HNNXBMFYSA-N -1 0 395.440 3.359 20 30 GGEDRM COc1ccc(CNC(=O)C(C#N)=C([O-])c2cc(C3CC3)n(C(C)(C)C)n2)cc1 ZINC000119386168 1413431663 /nfs/dbraw/zinc/43/16/63/1413431663.db2.gz LKFYKIBIIBSPFF-QGZVFWFLSA-N -1 0 394.475 3.163 20 30 GGEDRM C=CCn1c(=O)c2ccc(C(=O)N[C@@H](CCCC)COC)cc2[n-]c1=S ZINC000119605905 1413501490 /nfs/dbraw/zinc/50/14/90/1413501490.db2.gz GWFJWMVISQRLPW-AWEZNQCLSA-N -1 0 375.494 3.180 20 30 GGEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1nc(-c2ccccc2)n(-c2ccccc2)n1 ZINC000119726599 1413546402 /nfs/dbraw/zinc/54/64/02/1413546402.db2.gz VYMCAPMMKXNXRN-LJQANCHMSA-N -1 0 399.454 3.316 20 30 GGEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1cccc(NC(=O)c2cccs2)c1 ZINC000119773746 1413563536 /nfs/dbraw/zinc/56/35/36/1413563536.db2.gz ZNDMJBIXWPZMQG-INIZCTEOSA-N -1 0 381.457 3.382 20 30 GGEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1ccc(NC(=O)c2cccs2)cc1 ZINC000119771305 1413563684 /nfs/dbraw/zinc/56/36/84/1413563684.db2.gz ASAMQRBFMZRQLP-INIZCTEOSA-N -1 0 381.457 3.382 20 30 GGEDRM CC(C)CCN(CCC#N)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000820076625 1428738271 /nfs/dbraw/zinc/73/82/71/1428738271.db2.gz PLYHQTSRQQJQCJ-UHFFFAOYSA-N -1 0 393.398 3.262 20 30 GGEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1ccc(NC(=O)c2ccccc2)cc1 ZINC000119814196 1413579145 /nfs/dbraw/zinc/57/91/45/1413579145.db2.gz BHPHKGMQRMUOHN-IBGZPJMESA-N -1 0 375.428 3.320 20 30 GGEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1cccc(-n2nccc2-c2ccccc2)c1 ZINC000119887619 1413606062 /nfs/dbraw/zinc/60/60/62/1413606062.db2.gz JIKFULNWXFAKGC-FQEVSTJZSA-N -1 0 384.439 3.484 20 30 GGEDRM COc1ccc(CCNC(=O)C(C#N)=C([O-])c2cnc(C(C)(C)C)s2)cc1 ZINC000119928975 1413620907 /nfs/dbraw/zinc/62/09/07/1413620907.db2.gz YRPSOUYWQJROSP-HNNXBMFYSA-N -1 0 385.489 3.131 20 30 GGEDRM COc1ccc(CCNC(=O)C(C#N)=C([O-])c2cnc(C(C)(C)C)s2)cc1 ZINC000119928826 1413620952 /nfs/dbraw/zinc/62/09/52/1413620952.db2.gz YRPSOUYWQJROSP-OAHLLOKOSA-N -1 0 385.489 3.131 20 30 GGEDRM C=CCNC(=O)C(C#N)=C([O-])c1cc(-c2cccs2)n(-c2ccccc2)n1 ZINC000120039626 1413663891 /nfs/dbraw/zinc/66/38/91/1413663891.db2.gz FVOLPHAQMAJWIX-HNNXBMFYSA-N -1 0 376.441 3.225 20 30 GGEDRM N#CC(C(=O)NC1CC1)=C([O-])c1cc(-c2cccs2)n(-c2ccccc2)n1 ZINC000120053085 1413669133 /nfs/dbraw/zinc/66/91/33/1413669133.db2.gz OHAQPSONJUMXRM-OAHLLOKOSA-N -1 0 376.441 3.202 20 30 GGEDRM COc1ccc(CNC(=O)C(C#N)=C([O-])c2cc(F)cc(C(F)(F)F)c2)cc1 ZINC000120140343 1413703397 /nfs/dbraw/zinc/70/33/97/1413703397.db2.gz VTJKJVSVHUDJKV-INIZCTEOSA-N -1 0 394.324 3.492 20 30 GGEDRM C[C@@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)c1ncc(-c2ccccc2)o1 ZINC000120426539 1413815058 /nfs/dbraw/zinc/81/50/58/1413815058.db2.gz VDHQMQOXJHDQEQ-GFCCVEGCSA-N -1 0 398.400 3.161 20 30 GGEDRM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(OC(F)(F)F)cc1 ZINC000120535933 1413838281 /nfs/dbraw/zinc/83/82/81/1413838281.db2.gz KDZXYAGSWCLTBU-UHFFFAOYSA-N -1 0 387.295 3.166 20 30 GGEDRM N#Cc1ccc(C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)CC(F)(F)F)s1 ZINC000822823647 1428759730 /nfs/dbraw/zinc/75/97/30/1428759730.db2.gz WKNOHPAAMJAYOC-UHFFFAOYSA-N -1 0 392.366 3.005 20 30 GGEDRM CN(CC#N)C(=O)c1ccccc1[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000120858705 1413929136 /nfs/dbraw/zinc/92/91/36/1413929136.db2.gz AMPXNIDHTLIGHE-UHFFFAOYSA-N -1 0 397.378 3.102 20 30 GGEDRM Cc1cc(C)n(-c2cccc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3C#N)c2)n1 ZINC000120859952 1413929202 /nfs/dbraw/zinc/92/92/02/1413929202.db2.gz WYUIMPLRQHCOTC-UHFFFAOYSA-N -1 0 397.416 3.070 20 30 GGEDRM CCCOc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)c(C)c1 ZINC000120973763 1413964567 /nfs/dbraw/zinc/96/45/67/1413964567.db2.gz GDECXKFIQWIZES-UHFFFAOYSA-N -1 0 375.406 3.365 20 30 GGEDRM CCCCOc1ccccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000120974282 1413964898 /nfs/dbraw/zinc/96/48/98/1413964898.db2.gz YHZPQRWEFGUKBO-UHFFFAOYSA-N -1 0 375.406 3.446 20 30 GGEDRM CCCC(=O)N1CCC[C@@H](C(=O)C(C#N)=C([O-])c2c(C)[nH]c3ccccc32)C1 ZINC000120982106 1413967575 /nfs/dbraw/zinc/96/75/75/1413967575.db2.gz JHAYHLQIVOMLFX-WBVHZDCISA-N -1 0 379.460 3.407 20 30 GGEDRM CC[C@@H](C)Oc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)cc1 ZINC000120995197 1413971428 /nfs/dbraw/zinc/97/14/28/1413971428.db2.gz RPSRSJCLKZVNNS-GFCCVEGCSA-N -1 0 375.406 3.445 20 30 GGEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)CCNC(=O)c1ccsc1 ZINC000121012303 1413976137 /nfs/dbraw/zinc/97/61/37/1413976137.db2.gz BLXKSAFMJYJOGG-HNNXBMFYSA-N -1 0 379.441 3.250 20 30 GGEDRM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cccc(COCC2CC2)c1 ZINC000121011325 1413976141 /nfs/dbraw/zinc/97/61/41/1413976141.db2.gz ZEIUDOKGMUTBMF-UHFFFAOYSA-N -1 0 387.417 3.194 20 30 GGEDRM Cc1[nH]c2ccccc2c1C(=O)C(C#N)=C([O-])c1ccc(CS(C)(=O)=O)cc1 ZINC000121024677 1413980213 /nfs/dbraw/zinc/98/02/13/1413980213.db2.gz OVQRBBPHAUPZTA-QGZVFWFLSA-N -1 0 394.452 3.226 20 30 GGEDRM Cc1[nH]c2ccccc2c1C(=O)C(C#N)=C([O-])c1ccc(N2CCNC2=O)cc1 ZINC000121080150 1414000048 /nfs/dbraw/zinc/00/00/48/1414000048.db2.gz CKIUCPSWMPLOHE-KRWDZBQOSA-N -1 0 386.411 3.211 20 30 GGEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000121089636 1414004165 /nfs/dbraw/zinc/00/41/65/1414004165.db2.gz VEOBERMRGKCBEX-PBHICJAKSA-N -1 0 377.444 3.159 20 30 GGEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)CCNC(=O)Cc1ccccc1 ZINC000121093974 1414005443 /nfs/dbraw/zinc/00/54/43/1414005443.db2.gz CYODJJVCVSMADD-SFHVURJKSA-N -1 0 387.439 3.117 20 30 GGEDRM C=C[C@@H](CC(=O)[N-]S(=O)(=O)c1c(Cl)nc2ccccn21)c1ccccc1 ZINC000121203677 1414043195 /nfs/dbraw/zinc/04/31/95/1414043195.db2.gz FLRLCSKQLAJPKA-ZDUSSCGKSA-N -1 0 389.864 3.153 20 30 GGEDRM C=C[C@H](CC(=O)[N-]S(=O)(=O)c1cnn(-c2ccccc2)c1)c1ccccc1 ZINC000121216029 1414047022 /nfs/dbraw/zinc/04/70/22/1414047022.db2.gz AXGLLSGQPURFKS-MRXNPFEDSA-N -1 0 381.457 3.037 20 30 GGEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1ccnc(OCc2ccccc2)c1 ZINC000121271383 1414066277 /nfs/dbraw/zinc/06/62/77/1414066277.db2.gz XNEBCILIEVXJDO-IBGZPJMESA-N -1 0 377.444 3.432 20 30 GGEDRM CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccn(-c3ccc(OC)cc3)n2)cc1 ZINC000121302259 1414076939 /nfs/dbraw/zinc/07/69/39/1414076939.db2.gz LHYKIWKIICCDAU-LJQANCHMSA-N -1 0 388.427 3.404 20 30 GGEDRM CCc1ccsc1C([O-])=C(C#N)C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000121314117 1414080824 /nfs/dbraw/zinc/08/08/24/1414080824.db2.gz CXZIFLABKUVGQQ-HNNXBMFYSA-N -1 0 386.473 3.009 20 30 GGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1cc(I)ccc1C ZINC000121464694 1414136277 /nfs/dbraw/zinc/13/62/77/1414136277.db2.gz YVTDPMRFJHNZAQ-CQSZACIVSA-N -1 0 398.244 3.229 20 30 GGEDRM C[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1)c1ccsc1 ZINC000121487333 1414145493 /nfs/dbraw/zinc/14/54/93/1414145493.db2.gz DOIZNPWVEKLFQR-SECBINFHSA-N -1 0 388.392 3.247 20 30 GGEDRM CC(C)[C@H](C#N)OC(=O)c1ccc2c(c1)[n-]c(=S)n(Cc1ccco1)c2=O ZINC000121511990 1414157259 /nfs/dbraw/zinc/15/72/59/1414157259.db2.gz DSDIKUKLDLMRLG-INIZCTEOSA-N -1 0 383.429 3.031 20 30 GGEDRM CC(C)n1cc2cc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3C#N)ccc2n1 ZINC000121613562 1414201114 /nfs/dbraw/zinc/20/11/14/1414201114.db2.gz NEARGFZSULJTAT-UHFFFAOYSA-N -1 0 385.405 3.198 20 30 GGEDRM Cc1oc(-c2ccccc2F)nc1C([O-])=C(C#N)C(=O)NCc1ccccc1 ZINC000121659580 1414215294 /nfs/dbraw/zinc/21/52/94/1414215294.db2.gz RDKAQNCLTQRJCX-INIZCTEOSA-N -1 0 377.375 3.428 20 30 GGEDRM C=CCNC(=O)C(C#N)=C([O-])c1csc(-c2ccc(Br)s2)n1 ZINC000121717027 1414234447 /nfs/dbraw/zinc/23/44/47/1414234447.db2.gz NNVNLSQSMQJMEH-MRVPVSSYSA-N -1 0 396.291 3.259 20 30 GGEDRM N#CC(C(=O)NC1CC1)=C([O-])c1csc(-c2ccc(Br)s2)n1 ZINC000121733043 1414240035 /nfs/dbraw/zinc/24/00/35/1414240035.db2.gz QAISRMXBUWPOJQ-QMMMGPOBSA-N -1 0 396.291 3.235 20 30 GGEDRM CC(C)NC(=O)C(C#N)=C([O-])c1csc(-c2ccc(Br)s2)n1 ZINC000121764640 1414249618 /nfs/dbraw/zinc/24/96/18/1414249618.db2.gz XUYKYWPDXZIQMS-QMMMGPOBSA-N -1 0 398.307 3.481 20 30 GGEDRM Cc1cc(Cl)c(S(=O)(=O)[N-]c2cc(N(C)C)ccc2C#N)cc1[N+](=O)[O-] ZINC000121794408 1414259831 /nfs/dbraw/zinc/25/98/31/1414259831.db2.gz IKXPDZLOKRWRDT-UHFFFAOYSA-N -1 0 394.840 3.295 20 30 GGEDRM Cc1cnn(-c2ccc(S(=O)(=O)[N-]c3cc(N(C)C)ccc3C#N)cc2F)c1 ZINC000121805773 1414263231 /nfs/dbraw/zinc/26/32/31/1414263231.db2.gz SSSVTNPCOVPSOU-UHFFFAOYSA-N -1 0 399.451 3.058 20 30 GGEDRM COc1ccc(CNC(=O)C(C#N)=C([O-])c2cccc(OC(F)(F)F)c2)cc1 ZINC000121816795 1414266991 /nfs/dbraw/zinc/26/69/91/1414266991.db2.gz NNPHNDISINKEGJ-MRXNPFEDSA-N -1 0 392.333 3.233 20 30 GGEDRM COc1ccc(-c2csc(C(C#N)=C([O-])c3cc(C(N)=O)cs3)n2)cc1 ZINC000121847966 1414277503 /nfs/dbraw/zinc/27/75/03/1414277503.db2.gz HMEKRMKHVHRDEX-CYBMUJFWSA-N -1 0 383.454 3.469 20 30 GGEDRM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(OC2CCC2)c(F)c1 ZINC000121854406 1414279140 /nfs/dbraw/zinc/27/91/40/1414279140.db2.gz YHTGHNPRGSAQEI-UHFFFAOYSA-N -1 0 391.380 3.338 20 30 GGEDRM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc2nc(C3CC3)oc2c1 ZINC000121888778 1414292384 /nfs/dbraw/zinc/29/23/84/1414292384.db2.gz SJLVFBAGJBDLQT-UHFFFAOYSA-N -1 0 384.373 3.286 20 30 GGEDRM Cc1c(C([O-])=C(C#N)C(=O)NCCCOC(C)C)cnn1-c1cc(C)ccc1C ZINC000121928804 1414310710 /nfs/dbraw/zinc/31/07/10/1414310710.db2.gz UFCUPTWNYGZTKU-SFHVURJKSA-N -1 0 396.491 3.051 20 30 GGEDRM Cc1c(C([O-])=C(C#N)C(=O)NCCCOC(C)C)cnn1-c1cc(C)ccc1C ZINC000121928656 1414310972 /nfs/dbraw/zinc/31/09/72/1414310972.db2.gz UFCUPTWNYGZTKU-GOSISDBHSA-N -1 0 396.491 3.051 20 30 GGEDRM CC(C)Oc1ccc(C#N)cc1[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000121982192 1414331136 /nfs/dbraw/zinc/33/11/36/1414331136.db2.gz AQZZDKOQUOYWMT-UHFFFAOYSA-N -1 0 379.369 3.194 20 30 GGEDRM N#CC(=C([O-])c1cnn(-c2ccc(F)cc2)n1)c1nc(-c2ccncc2)cs1 ZINC000122026963 1414343235 /nfs/dbraw/zinc/34/32/35/1414343235.db2.gz DDHWQLVXXQWZKS-HNNXBMFYSA-N -1 0 390.403 3.415 20 30 GGEDRM CC[C@H](C#N)OC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000122187762 1414383599 /nfs/dbraw/zinc/38/35/99/1414383599.db2.gz XVFRWVXKKBYYSA-GFCCVEGCSA-N -1 0 380.372 3.225 20 30 GGEDRM CCOc1cc(C([O-])=C(C#N)c2nc3ccccc3n2C)c([N+](=O)[O-])cc1OC ZINC000122204971 1414388141 /nfs/dbraw/zinc/38/81/41/1414388141.db2.gz HKNZBJKGCFGDJD-ZDUSSCGKSA-N -1 0 394.387 3.379 20 30 GGEDRM CC(C)Oc1cc(Br)cc(C([O-])=C(C#N)C(=O)N2CCCC2)c1 ZINC000177592898 1428806049 /nfs/dbraw/zinc/80/60/49/1428806049.db2.gz MJFZPFBFAAAVFO-OAHLLOKOSA-N -1 0 379.254 3.181 20 30 GGEDRM C=CCNC(=O)C(C#N)=C([O-])c1ccc(C)c(NC(=O)Nc2ccccc2)c1 ZINC000122294499 1414415468 /nfs/dbraw/zinc/41/54/68/1414415468.db2.gz AABUYJVGGFYEGC-QGZVFWFLSA-N -1 0 376.416 3.264 20 30 GGEDRM Cc1ccc(C([O-])=C(C#N)C(=O)NC2CC2)cc1NC(=O)Nc1ccccc1 ZINC000122300018 1414416678 /nfs/dbraw/zinc/41/66/78/1414416678.db2.gz BCHJZRSPXUZASJ-QGZVFWFLSA-N -1 0 376.416 3.240 20 30 GGEDRM Cc1ccc(C([O-])=C(C#N)C(=O)NC2CC2)cc1NC(=O)Nc1ccccc1 ZINC000122300236 1414416942 /nfs/dbraw/zinc/41/69/42/1414416942.db2.gz BCHJZRSPXUZASJ-KRWDZBQOSA-N -1 0 376.416 3.240 20 30 GGEDRM N#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000122330723 1414425736 /nfs/dbraw/zinc/42/57/36/1414425736.db2.gz YKFKZCFVAHXRQU-UHFFFAOYSA-N -1 0 385.760 3.090 20 30 GGEDRM N#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000122339150 1414427872 /nfs/dbraw/zinc/42/78/72/1414427872.db2.gz SGUDAVMKGIYFDO-UHFFFAOYSA-N -1 0 399.325 3.419 20 30 GGEDRM COCCCNC(=O)C(C#N)=C([O-])c1ccc2cc(Br)ccc2c1 ZINC000122343336 1414429153 /nfs/dbraw/zinc/42/91/53/1414429153.db2.gz UODHBSYDCRMSJA-MRXNPFEDSA-N -1 0 389.249 3.077 20 30 GGEDRM N#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1 ZINC000122358939 1414433671 /nfs/dbraw/zinc/43/36/71/1414433671.db2.gz LMDVDFISEZVPNH-UHFFFAOYSA-N -1 0 390.314 3.427 20 30 GGEDRM Cc1cc(Cl)c(S(=O)(=O)[N-]c2ccc(F)cc2OCC#N)cc1[N+](=O)[O-] ZINC000122392110 1414444600 /nfs/dbraw/zinc/44/46/00/1414444600.db2.gz RBDTUHCNLBRSTB-UHFFFAOYSA-N -1 0 399.787 3.399 20 30 GGEDRM Cn1ccnc1C(=O)C(C#N)=C([O-])c1cccc(OCc2ccccc2C#N)c1 ZINC000122496461 1414482543 /nfs/dbraw/zinc/48/25/43/1414482543.db2.gz IRBGVNOFXXIBLT-IBGZPJMESA-N -1 0 384.395 3.076 20 30 GGEDRM Cn1ccnc1C([O-])=C(C#N)C(=O)CCC(=O)c1cc(Cl)sc1Cl ZINC000122509733 1414485521 /nfs/dbraw/zinc/48/55/21/1414485521.db2.gz BCIZKDYJJZQKAY-VIFPVBQESA-N -1 0 384.244 3.343 20 30 GGEDRM Cn1ccnc1C([O-])=C(C#N)C(=O)CCC(=O)c1cc(Cl)sc1Cl ZINC000122509968 1414486183 /nfs/dbraw/zinc/48/61/83/1414486183.db2.gz BCIZKDYJJZQKAY-SECBINFHSA-N -1 0 384.244 3.343 20 30 GGEDRM COC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000177618856 1428812604 /nfs/dbraw/zinc/81/26/04/1428812604.db2.gz JHCZGJQFFVIRBD-UHFFFAOYSA-N -1 0 384.335 3.164 20 30 GGEDRM Cn1ccnc1C([O-])=C(C#N)C(=O)CCCCc1ccc(Br)cc1 ZINC000122533859 1414491851 /nfs/dbraw/zinc/49/18/51/1414491851.db2.gz MEBGBYAJIWPVCA-OAHLLOKOSA-N -1 0 388.265 3.487 20 30 GGEDRM Cn1ccnc1C(=O)C(C#N)=C([O-])c1csc(-c2ccc(Cl)s2)n1 ZINC000122535916 1414492526 /nfs/dbraw/zinc/49/25/26/1414492526.db2.gz CPFLDEGTACLCSB-QMMMGPOBSA-N -1 0 376.850 3.464 20 30 GGEDRM Cn1ccnc1C(=O)C(C#N)=C([O-])c1csc(-c2ccc(Cl)s2)n1 ZINC000122536121 1414492867 /nfs/dbraw/zinc/49/28/67/1414492867.db2.gz CPFLDEGTACLCSB-MRVPVSSYSA-N -1 0 376.850 3.464 20 30 GGEDRM CCNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000177621003 1428813014 /nfs/dbraw/zinc/81/30/14/1428813014.db2.gz AZJNRPFPTAKZHP-UHFFFAOYSA-N -1 0 397.378 3.128 20 30 GGEDRM CC(C)(C)c1ncc([N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)cn1 ZINC000177621763 1428813583 /nfs/dbraw/zinc/81/35/83/1428813583.db2.gz DYEXGPLEKUKYGK-UHFFFAOYSA-N -1 0 384.383 3.465 20 30 GGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(-c3cccc(F)c3F)[nH]n2)c(F)c1 ZINC000122564810 1414501727 /nfs/dbraw/zinc/50/17/27/1414501727.db2.gz DCQBQSINLNDMDX-UHFFFAOYSA-N -1 0 378.335 3.166 20 30 GGEDRM Cn1ccnc1C(=O)C(C#N)=C([O-])c1ccc(-c2nc3ccccc3s2)o1 ZINC000122595494 1414511710 /nfs/dbraw/zinc/51/17/10/1414511710.db2.gz JXAFQSOZLAJRMB-NSHDSACASA-N -1 0 376.397 3.495 20 30 GGEDRM Cn1ccnc1C(=O)C(C#N)=C([O-])c1ccc(Oc2cccc(F)c2C#N)cc1 ZINC000122629896 1414523050 /nfs/dbraw/zinc/52/30/50/1414523050.db2.gz YSCQNZNSJYUVLG-INIZCTEOSA-N -1 0 388.358 3.429 20 30 GGEDRM CCOc1ccc(-c2nc(C([O-])=C(C#N)C(=O)c3nccn3C)cs2)cc1 ZINC000122668753 1414533594 /nfs/dbraw/zinc/53/35/94/1414533594.db2.gz ITVNIVBMRWKNTQ-CQSZACIVSA-N -1 0 380.429 3.148 20 30 GGEDRM C=CCn1c(=O)c2ccc(C(=O)Nc3ccn(CCC(C)C)n3)cc2[n-]c1=S ZINC000122676725 1414535653 /nfs/dbraw/zinc/53/56/53/1414535653.db2.gz GHDHTRSDXASEMX-UHFFFAOYSA-N -1 0 397.504 3.366 20 30 GGEDRM Cn1ccnc1C(=O)C(C#N)=C([O-])c1ccc(OCc2ccccc2C#N)cc1 ZINC000122795329 1414566946 /nfs/dbraw/zinc/56/69/46/1414566946.db2.gz ZUKDBCSILLVTTQ-LJQANCHMSA-N -1 0 384.395 3.076 20 30 GGEDRM Cn1c2ccccc2nc1C(C#N)=C([O-])c1nc(N2CCCC2)ncc1Cl ZINC000122978312 1414611637 /nfs/dbraw/zinc/61/16/37/1414611637.db2.gz VIYVXRZXLRCCHX-GFCCVEGCSA-N -1 0 380.839 3.107 20 30 GGEDRM Cn1c2ccccc2nc1[C@@H](C#N)C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000123045932 1414627075 /nfs/dbraw/zinc/62/70/75/1414627075.db2.gz RBCRPONFBQQUDO-HNNXBMFYSA-N -1 0 386.371 3.157 20 30 GGEDRM C[C@H](Sc1ccc(Br)cc1)C(=O)C(C#N)=C([O-])c1nccn1C ZINC000123059569 1414630245 /nfs/dbraw/zinc/63/02/45/1414630245.db2.gz WQSNAAGGANGJFM-GXFFZTMASA-N -1 0 392.278 3.255 20 30 GGEDRM Cn1ccnc1C(=O)C(C#N)=C([O-])c1cccc(-c2noc(CC(C)(C)C)n2)c1 ZINC000123126403 1414648155 /nfs/dbraw/zinc/64/81/55/1414648155.db2.gz UAKFFHGQOGJCBC-HNNXBMFYSA-N -1 0 391.431 3.264 20 30 GGEDRM COc1ccc(S(=O)(=O)[N-]c2nn(C(C)(C)C)cc2C#N)c2ccccc12 ZINC000123227524 1414673567 /nfs/dbraw/zinc/67/35/67/1414673567.db2.gz XLFGZGFBTIJKLV-UHFFFAOYSA-N -1 0 384.461 3.472 20 30 GGEDRM CCCCc1nc2cc([N-]S(=O)(=O)c3ccc(C#N)cc3[N+](=O)[O-])ccc2[nH]1 ZINC000123272208 1414684048 /nfs/dbraw/zinc/68/40/48/1414684048.db2.gz OIXZTAJILFLTKX-UHFFFAOYSA-N -1 0 399.432 3.486 20 30 GGEDRM C=CCCCCCN(C)C(=O)C(=O)Nc1cccc(-c2nc(CC)cc(=O)[nH]2)c1 ZINC000123360310 1414705909 /nfs/dbraw/zinc/70/59/09/1414705909.db2.gz AXEHBIWSUPRQGG-UHFFFAOYSA-N -1 0 396.491 3.143 20 30 GGEDRM COc1ccc([C@@H](C#N)N2CCN(C(=O)c3ccc(Cl)cc3O)CC2)cc1 ZINC000123517360 1414759706 /nfs/dbraw/zinc/75/97/06/1414759706.db2.gz ASVSPVJDBTWOLG-GOSISDBHSA-N -1 0 385.851 3.077 20 30 GGEDRM N#Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccccc2C(F)(F)F)cc1Cl ZINC000123701014 1414811963 /nfs/dbraw/zinc/81/19/63/1414811963.db2.gz GJDXUAPUVBLQSB-UHFFFAOYSA-N -1 0 388.754 3.349 20 30 GGEDRM CSc1[n-]c(=O)c(C(=O)N(Cc2ccc([C@H]3C[C@H]3C)o2)C2CC2)cc1C#N ZINC000123828751 1414830599 /nfs/dbraw/zinc/83/05/99/1414830599.db2.gz OSGHXCYQVILLIV-ABAIWWIYSA-N -1 0 383.473 3.490 20 30 GGEDRM CSc1[n-]c(=O)c(C(=O)N(Cc2ccc([C@H]3C[C@@H]3C)o2)C2CC2)cc1C#N ZINC000123828987 1414830622 /nfs/dbraw/zinc/83/06/22/1414830622.db2.gz OSGHXCYQVILLIV-NHYWBVRUSA-N -1 0 383.473 3.490 20 30 GGEDRM N#Cc1cc(F)c(S(=O)(=O)[N-]Cc2nc(-c3ccccc3)cs2)c(F)c1 ZINC000124231638 1414915390 /nfs/dbraw/zinc/91/53/90/1414915390.db2.gz ZYZNFYXJWLVTRS-UHFFFAOYSA-N -1 0 391.424 3.438 20 30 GGEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1cc(C)n(Cc2ccccc2)c1C ZINC000124252814 1414921249 /nfs/dbraw/zinc/92/12/49/1414921249.db2.gz GGRWCHVRUZVMQO-HXUWFJFHSA-N -1 0 381.476 3.019 20 30 GGEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1sc(-c2cccs2)nc1C ZINC000124258862 1414922985 /nfs/dbraw/zinc/92/29/85/1414922985.db2.gz VOYDTKGYNNQHDA-GFCCVEGCSA-N -1 0 377.491 3.045 20 30 GGEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1sc(-c2cccs2)nc1C ZINC000124258654 1414923143 /nfs/dbraw/zinc/92/31/43/1414923143.db2.gz VOYDTKGYNNQHDA-LBPRGKRZSA-N -1 0 377.491 3.045 20 30 GGEDRM CC(C)c1csc(C(C#N)=C([O-])c2cnn(CC(=O)NC3CCCCC3)c2)n1 ZINC000177746983 1428848938 /nfs/dbraw/zinc/84/89/38/1428848938.db2.gz PABOCIVFIHYSFG-MRXNPFEDSA-N -1 0 399.520 3.402 20 30 GGEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1csc(-c2cccc(Cl)c2)n1 ZINC000124314931 1414937124 /nfs/dbraw/zinc/93/71/24/1414937124.db2.gz NEFUHUPKKUBGEO-AWEZNQCLSA-N -1 0 391.880 3.329 20 30 GGEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1cc2cc(Br)ccc2o1 ZINC000124338659 1414943719 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0 382.363 3.186 20 30 GGEDRM COc1ccc(-c2cncc(C([O-])=C(C#N)C(=O)NCc3ccccc3)c2)cc1 ZINC000124522451 1414987170 /nfs/dbraw/zinc/98/71/70/1414987170.db2.gz OOGYVSDJKLAISU-OAQYLSRUSA-N -1 0 385.423 3.396 20 30 GGEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1ccc(-c2ccc3c(c2)OCCO3)s1 ZINC000124533466 1414988934 /nfs/dbraw/zinc/98/89/34/1414988934.db2.gz ZXHUUJKWHNPSAV-AWEZNQCLSA-N -1 0 382.441 3.131 20 30 GGEDRM Cc1ccc(Br)c(S(=O)(=O)[N-]c2cc(N(C)C)ccc2C#N)c1 ZINC000124768064 1415040459 /nfs/dbraw/zinc/04/04/59/1415040459.db2.gz SPMWSUFNYCVDLB-UHFFFAOYSA-N -1 0 394.294 3.496 20 30 GGEDRM Cc1ccc(C([O-])=C(C#N)C(=O)N2CCCC2)cc1NC(=O)c1ccccc1F ZINC000124822361 1415052179 /nfs/dbraw/zinc/05/21/79/1415052179.db2.gz VSRXTTZINOWZMG-QGZVFWFLSA-N -1 0 393.418 3.331 20 30 GGEDRM CC1=CC(=O)C(=C([O-])C=Cc2cn(-c3ccccc3)nc2C(C)(C)C)C(=O)O1 ZINC000124876949 1415065268 /nfs/dbraw/zinc/06/52/68/1415065268.db2.gz ICFNXRGHBGTCDC-GNISGLHKSA-N -1 0 378.428 3.398 20 30 GGEDRM CCOc1ccc(-c2nc(C)c(C([O-])=C(C#N)C(=O)N3CCCC3)s2)cc1 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Cc1c(C([O-])=C(C#N)C(=O)NC2CCCCC2)nnn1-c1cccc(Cl)c1 ZINC000125513402 1415218017 /nfs/dbraw/zinc/21/80/17/1415218017.db2.gz POWOCCSKCNYMJL-INIZCTEOSA-N -1 0 385.855 3.001 20 30 GGEDRM N#CC(C(=O)NC1CC1)=C([O-])c1csc(-c2cc(Br)cs2)n1 ZINC000125562537 1415227005 /nfs/dbraw/zinc/22/70/05/1415227005.db2.gz VEBCRGKYZZBUCD-VIFPVBQESA-N -1 0 396.291 3.235 20 30 GGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000125568191 1415228764 /nfs/dbraw/zinc/22/87/64/1415228764.db2.gz USDNQFULWDXHKB-MRXNPFEDSA-N -1 0 386.452 3.214 20 30 GGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cccc(I)c1 ZINC000125571254 1415229136 /nfs/dbraw/zinc/22/91/36/1415229136.db2.gz MMGMGVYUJZIKRW-AWEZNQCLSA-N -1 0 398.244 3.310 20 30 GGEDRM N#Cc1ccc(/C=C/c2ccc(OCCn3cc(C(=O)[O-])nn3)c(Cl)c2)nc1 ZINC000177898391 1428886435 /nfs/dbraw/zinc/88/64/35/1428886435.db2.gz PPEAHISCGMAOAO-DAFODLJHSA-N -1 0 395.806 3.146 20 30 GGEDRM C[C@@H]([N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)c1nc(C2CCCCC2)no1 ZINC000125789617 1415281533 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392.846 3.224 20 30 GGEDRM CCc1cc(C#N)c(NC(=O)c2cc(S(=O)(=O)N3CCCC3)c(C)o2)s1 ZINC000126821622 1415571109 /nfs/dbraw/zinc/57/11/09/1415571109.db2.gz PHJGXDMMCHKZLY-UHFFFAOYSA-N -1 0 393.490 3.120 20 30 GGEDRM COc1ccc(-c2nc(C([O-])=C(C#N)C(=O)NCc3ccccc3)cs2)cc1 ZINC000126869266 1415590755 /nfs/dbraw/zinc/59/07/55/1415590755.db2.gz BIUQEGIADCHNTR-KRWDZBQOSA-N -1 0 391.452 3.458 20 30 GGEDRM C=CCc1cc(C([O-])=C(C#N)C(=O)NCc2ccccc2)cc(OC)c1OC ZINC000126871602 1415591242 /nfs/dbraw/zinc/59/12/42/1415591242.db2.gz CULDDIKGUJLIRK-GOSISDBHSA-N -1 0 378.428 3.071 20 30 GGEDRM CC[C@@H](/N=C\c1cc([N+](=O)[O-])ccc1[O-])c1ccccc1OCC(=O)N(C)C ZINC000126889658 1415596199 /nfs/dbraw/zinc/59/61/99/1415596199.db2.gz AWTILAUCFGYOGU-CTPANLQCSA-N -1 0 385.420 3.338 20 30 GGEDRM Cc1ccc(-n2nc(C([O-])=C(C#N)C(=O)NCc3ccccc3)c3c2CCC3)cc1 ZINC000126929663 1415612106 /nfs/dbraw/zinc/61/21/06/1415612106.db2.gz MTESEIWJOULKLF-HXUWFJFHSA-N -1 0 398.466 3.308 20 30 GGEDRM N#CCCCOc1cccnc1[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000127273761 1415713009 /nfs/dbraw/zinc/71/30/09/1415713009.db2.gz UCVBXQXYOXQFHD-UHFFFAOYSA-N -1 0 387.248 3.267 20 30 GGEDRM N#CCc1cccc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3nccs3)c2)c1 ZINC000178101446 1428981528 /nfs/dbraw/zinc/98/15/28/1428981528.db2.gz GPSQWSDWTPLROX-UHFFFAOYSA-N -1 0 398.469 3.262 20 30 GGEDRM N#Cc1cccc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3nccs3)c2)c1 ZINC000178102044 1428982184 /nfs/dbraw/zinc/98/21/84/1428982184.db2.gz NXEYSLMSTWFIOG-UHFFFAOYSA-N -1 0 384.442 3.068 20 30 GGEDRM Cc1cc(C([O-])=C(C#N)C(=O)NC2CCCCC2)c(C)n1Cc1ccccn1 ZINC000127347585 1415746656 /nfs/dbraw/zinc/74/66/56/1415746656.db2.gz WXYMUMJINOIWDI-HXUWFJFHSA-N -1 0 378.476 3.320 20 30 GGEDRM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000824293431 1428988753 /nfs/dbraw/zinc/98/87/53/1428988753.db2.gz LNZCDZRQKOZUTP-UHFFFAOYSA-N -1 0 386.459 3.473 20 30 GGEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1nn(-c2ccccc2F)c2c1CCC2 ZINC000127411755 1415769713 /nfs/dbraw/zinc/76/97/13/1415769713.db2.gz BOUIXOFTFRRDCY-MRXNPFEDSA-N -1 0 394.450 3.271 20 30 GGEDRM Cc1cc(C(=O)[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)sc1C ZINC000127464340 1415789428 /nfs/dbraw/zinc/78/94/28/1415789428.db2.gz SAIXLMWOZYKHRV-UHFFFAOYSA-N -1 0 388.392 3.374 20 30 GGEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccccc2Cl)c(C(F)(F)F)c1 ZINC000127470071 1415791585 /nfs/dbraw/zinc/79/15/85/1415791585.db2.gz CGIGOVDXLXHBHK-UHFFFAOYSA-N -1 0 388.754 3.349 20 30 GGEDRM Cc1cccc(CCC(=O)[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)c1 ZINC000127476372 1415793829 /nfs/dbraw/zinc/79/38/29/1415793829.db2.gz JTKZIOCWJXBGOI-UHFFFAOYSA-N -1 0 396.390 3.323 20 30 GGEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1cnc(-c2ccccc2Cl)s1 ZINC000127634638 1415823599 /nfs/dbraw/zinc/82/35/99/1415823599.db2.gz CFLHTWQMMJEDLV-ZDUSSCGKSA-N -1 0 391.880 3.329 20 30 GGEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1ccc(OC)c(-c2ccccc2)c1 ZINC000127633638 1415823689 /nfs/dbraw/zinc/82/36/89/1415823689.db2.gz RVLIJHPPMWAGGY-IBGZPJMESA-N -1 0 380.444 3.227 20 30 GGEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000127651416 1415826332 /nfs/dbraw/zinc/82/63/32/1415826332.db2.gz ZYERGEOGHFRQMX-OAHLLOKOSA-N -1 0 398.444 3.490 20 30 GGEDRM CCOc1ccc([N+](=O)[O-])cc1C=NNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825643252 1429015399 /nfs/dbraw/zinc/01/53/99/1429015399.db2.gz JLXPVIGIKMNYPY-UHFFFAOYSA-N -1 0 387.787 3.273 20 30 GGEDRM N#CCN(C(=O)c1cccc([N-]S(=O)(=O)c2cccs2)c1)C1CCCC1 ZINC000128226395 1415943672 /nfs/dbraw/zinc/94/36/72/1415943672.db2.gz FUGYCBMFSZWPOR-UHFFFAOYSA-N -1 0 389.502 3.457 20 30 GGEDRM Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)Nc1nc(C#N)c(C#N)[n-]1 ZINC000128259015 1415949872 /nfs/dbraw/zinc/94/98/72/1415949872.db2.gz UXPRIOPLBUIWHK-UHFFFAOYSA-N -1 0 398.835 3.403 20 30 GGEDRM Cc1cc(C(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)nn1-c1cccc(C#N)c1 ZINC000826261126 1429023707 /nfs/dbraw/zinc/02/37/07/1429023707.db2.gz RWWMXHWYWSPGBA-AWEZNQCLSA-N -1 0 399.414 3.151 20 30 GGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2c(-c3ccccc3)nc3ccccn32)cn1 ZINC000128370492 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N#CC(C(=O)NC1CC1)=C([O-])c1ccc(Br)c(C(F)(F)F)c1 ZINC000132000110 1416670298 /nfs/dbraw/zinc/67/02/98/1416670298.db2.gz NJICPLHTFRBBKC-SECBINFHSA-N -1 0 375.144 3.069 20 30 GGEDRM CCC(CC)n1nccc1C([O-])=C(C#N)c1nc(N)nc(Nc2ccccc2)n1 ZINC000132618138 1416794816 /nfs/dbraw/zinc/79/48/16/1416794816.db2.gz FMNMAGOYXHIQLU-OAHLLOKOSA-N -1 0 390.451 3.245 20 30 GGEDRM N#CC(C(=O)NCc1ccccc1)=C([O-])c1cncc(-c2ccc3c(c2)CCO3)c1 ZINC000132634655 1416797463 /nfs/dbraw/zinc/79/74/63/1416797463.db2.gz WWLGAUIOAZBCPL-NRFANRHFSA-N -1 0 397.434 3.322 20 30 GGEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1cncc(-c2ccc3c(c2)CCO3)c1 ZINC000132691640 1416804491 /nfs/dbraw/zinc/80/44/91/1416804491.db2.gz IMRRYCONYANUPN-LJQANCHMSA-N -1 0 375.428 3.065 20 30 GGEDRM COc1cccc(-c2nc(C([O-])=C(C#N)C(=O)NC3CCCCC3)c(C)[nH]2)c1 ZINC000133055853 1416846771 /nfs/dbraw/zinc/84/67/71/1416846771.db2.gz FHEBVGIKHKFDBR-QGZVFWFLSA-N -1 0 380.448 3.165 20 30 GGEDRM C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])cc1 ZINC000133073944 1416848901 /nfs/dbraw/zinc/84/89/01/1416848901.db2.gz NEQABAWOMRJHHW-UHFFFAOYSA-N -1 0 381.388 3.367 20 30 GGEDRM C=C[C@@H](CC(=O)[N-]S(=O)(=O)c1ccc2c(c1)N(C)CCC2)c1ccccc1 ZINC000133394594 1416885549 /nfs/dbraw/zinc/88/55/49/1416885549.db2.gz UROVJNPIYWWKRM-INIZCTEOSA-N -1 0 384.501 3.234 20 30 GGEDRM CNC(=O)C(C#N)=C([O-])c1ccc(COc2ccccc2Br)cc1 ZINC000133534911 1416899175 /nfs/dbraw/zinc/89/91/75/1416899175.db2.gz CELGXBXGLDLOTB-AWEZNQCLSA-N -1 0 387.233 3.097 20 30 GGEDRM CN(Cc1cccc(-c2nn[n-]n2)c1)Cc1ccc(C#N)cc1Br ZINC000825977114 1429144499 /nfs/dbraw/zinc/14/44/99/1429144499.db2.gz XNRWWFCSOJCLNE-UHFFFAOYSA-N -1 0 383.253 3.133 20 30 GGEDRM Cc1cccc(N(CCC#N)S(=O)(=O)c2cc(C)c(F)c(C(=O)[O-])c2)c1 ZINC000133995770 1417007542 /nfs/dbraw/zinc/00/75/42/1417007542.db2.gz OQGXEWIAHHJGDX-UHFFFAOYSA-N -1 0 376.409 3.250 20 30 GGEDRM CC(C)(C)n1cc(C#N)c([N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)n1 ZINC000178733075 1429155385 /nfs/dbraw/zinc/15/53/85/1429155385.db2.gz MKUUODDLJJVTTL-UHFFFAOYSA-N -1 0 390.362 3.468 20 30 GGEDRM C=CCn1c(=O)c2ccc(C(=O)Nc3cccc(C#N)c3C)cc2[n-]c1=S ZINC000178768239 1429164159 /nfs/dbraw/zinc/16/41/59/1429164159.db2.gz LAUOFJQZVYQHNP-UHFFFAOYSA-N -1 0 376.441 3.304 20 30 GGEDRM Cc1ccc2ncc(/C=C/C(=O)c3ccc([O-])c(CN4CCOCC4)c3)n2c1 ZINC000178766525 1429164292 /nfs/dbraw/zinc/16/42/92/1429164292.db2.gz RUNVWGFASDHMCP-GQCTYLIASA-N -1 0 377.444 3.077 20 30 GGEDRM N#Cc1cccc(COc2ccc([N-]S(=O)(=O)c3c[nH]cn3)cc2Cl)c1 ZINC000135315424 1417206678 /nfs/dbraw/zinc/20/66/78/1417206678.db2.gz FYHGJVRYSGAMMH-UHFFFAOYSA-N -1 0 388.836 3.315 20 30 GGEDRM CCCN(C(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C#N)nc1)C(C)C ZINC000135414249 1417216920 /nfs/dbraw/zinc/21/69/20/1417216920.db2.gz ZSOGIFRXKHBNTC-UHFFFAOYSA-N -1 0 386.477 3.015 20 30 GGEDRM CCCCCCC[C@]1(C)NC(=O)N([N-]C(=O)c2cc(-c3ccccc3)[nH]n2)C1=O ZINC000136009899 1417285749 /nfs/dbraw/zinc/28/57/49/1417285749.db2.gz RUCLUALANBUICX-NRFANRHFSA-N -1 0 397.479 3.393 20 30 GGEDRM CCc1ccc(S(C)(=O)=O)cc1C([O-])=C(C#N)c1nc2ccccc2n1C ZINC000136100529 1417292050 /nfs/dbraw/zinc/29/20/50/1417292050.db2.gz FZJLZKSEMNCCQC-INIZCTEOSA-N -1 0 381.457 3.029 20 30 GGEDRM CCc1c(C)sc(NC(=O)[C@H](C)Oc2ccc(C#N)cc2)c1-c1nn[n-]n1 ZINC000736670424 1429175977 /nfs/dbraw/zinc/17/59/77/1429175977.db2.gz PKHVAVFDIJVZCB-JTQLQIEISA-N -1 0 382.449 3.077 20 30 GGEDRM Cc1c(C(=O)[N-]S(=O)(=O)c2cccc(C#N)c2)cccc1-c1ccccn1 ZINC000178807737 1429176497 /nfs/dbraw/zinc/17/64/97/1429176497.db2.gz FVOONZUACYLEPP-UHFFFAOYSA-N -1 0 377.425 3.047 20 30 GGEDRM Cc1ccc(-c2nc(C([O-])=C(C#N)c3nnc4n3CCCCC4)cs2)n1C ZINC000137090880 1417367119 /nfs/dbraw/zinc/36/71/19/1417367119.db2.gz SOVYIKDETYVHEK-CYBMUJFWSA-N -1 0 380.477 3.265 20 30 GGEDRM Cc1cccc(S(=O)(=O)[N-]c2cc(Cl)ccc2N2CCOCC2)c1C#N ZINC000137206709 1417375612 /nfs/dbraw/zinc/37/56/12/1417375612.db2.gz KRGJAPDXIQALES-UHFFFAOYSA-N -1 0 391.880 3.158 20 30 GGEDRM Cc1cccc(S(=O)(=O)[N-]c2c(C)cccc2C(=O)N2CCCC2)c1C#N ZINC000137256719 1417377777 /nfs/dbraw/zinc/37/77/77/1417377777.db2.gz 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1423463545 /nfs/dbraw/zinc/46/35/45/1423463545.db2.gz MOWNIOTXKSGRTD-JTQLQIEISA-N -1 0 381.808 3.015 20 30 GGEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)S(=O)(=O)c1cccc(C(C)C)c1 ZINC000819745396 1423491828 /nfs/dbraw/zinc/49/18/28/1423491828.db2.gz AYYYQPRLBJKSAT-UHFFFAOYSA-N -1 0 397.504 3.367 20 30 GGEDRM N#Cc1ccc(OCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)c(Cl)c1 ZINC000737722263 1429648268 /nfs/dbraw/zinc/64/82/68/1429648268.db2.gz RKJBPVJKQWRIRA-UHFFFAOYSA-N -1 0 379.767 3.021 20 30 GGEDRM Cc1ccc(Br)cc1NC(=O)C/N=C/c1cc([N+](=O)[O-])ccc1[O-] ZINC000155937240 1423602295 /nfs/dbraw/zinc/60/22/95/1423602295.db2.gz DPWSIUGXLVSQPO-QGMBQPNBSA-N -1 0 392.209 3.429 20 30 GGEDRM N#Cc1cc(N2CCC(Oc3ccc(-c4nnn[n-]4)cc3)CC2)nc2ccccc12 ZINC000737704850 1423607477 /nfs/dbraw/zinc/60/74/77/1423607477.db2.gz KZPJYXKIZLAOBH-UHFFFAOYSA-N -1 0 397.442 3.334 20 30 GGEDRM Cc1c(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)nnn1-c1cccc(Cl)c1 ZINC000822015491 1429656491 /nfs/dbraw/zinc/65/64/91/1429656491.db2.gz KSXBSJXXGIJANB-AATRIKPKSA-N -1 0 397.851 3.367 20 30 GGEDRM C#CCOc1cccc([C@H](C)OC(=O)CCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735380541 1423626231 /nfs/dbraw/zinc/62/62/31/1423626231.db2.gz IZUZTZLJCOCUFV-HNNXBMFYSA-N -1 0 376.416 3.116 20 30 GGEDRM N#CCCCNC(=O)c1cccc(Oc2cccc(Cl)c2-c2nn[n-]n2)c1 ZINC000826381457 1423631734 /nfs/dbraw/zinc/63/17/34/1423631734.db2.gz MPQGWKIERMGMAO-UHFFFAOYSA-N -1 0 382.811 3.346 20 30 GGEDRM CCCc1ccc(S(=O)(=O)[N-]c2nc(C)nn2-c2ccc(C#N)cc2)cc1 ZINC000156088650 1423666300 /nfs/dbraw/zinc/66/63/00/1423666300.db2.gz FYJGEGLBPHQHOT-UHFFFAOYSA-N -1 0 381.461 3.201 20 30 GGEDRM CC(C)[C@H](Oc1cccc(Cl)c1)C(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000179954649 1429661318 /nfs/dbraw/zinc/66/13/18/1429661318.db2.gz DBCRPGPDRKXGSO-KRWDZBQOSA-N -1 0 392.864 3.120 20 30 GGEDRM Cc1nc([N-]S(=O)(=O)c2ccc(C)cc2Cl)n(-c2ccc(C#N)cc2)n1 ZINC000156092520 1423668445 /nfs/dbraw/zinc/66/84/45/1423668445.db2.gz VKVMXJDKHFWMMT-UHFFFAOYSA-N -1 0 387.852 3.210 20 30 GGEDRM CC(C)[C@@H](Oc1cccc(Cl)c1)C(=O)[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000179965352 1429666321 /nfs/dbraw/zinc/66/63/21/1429666321.db2.gz HRWZXBWZBMZKTJ-QGZVFWFLSA-N -1 0 392.864 3.120 20 30 GGEDRM CC(C)c1cccc(O[C@H](C)C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)c1 ZINC000736184259 1423767671 /nfs/dbraw/zinc/76/76/71/1423767671.db2.gz XDFAGZJKPKLDLQ-CYBMUJFWSA-N -1 0 376.420 3.268 20 30 GGEDRM C=C(C)CN(CC)C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)nc1 ZINC000735398644 1423777530 /nfs/dbraw/zinc/77/75/30/1423777530.db2.gz MWJNVMHRBPPPPV-UHFFFAOYSA-N -1 0 379.424 3.484 20 30 GGEDRM Cc1cc(C(=O)[O-])cc(S(=O)(=O)N(CCC#N)c2ccccc2)c1Cl ZINC000156332355 1423784089 /nfs/dbraw/zinc/78/40/89/1423784089.db2.gz IXVXQNRLIZUAJP-UHFFFAOYSA-N -1 0 378.837 3.456 20 30 GGEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1ccc(Cl)c(C(F)(F)F)c1 ZINC000156425941 1423809196 /nfs/dbraw/zinc/80/91/96/1423809196.db2.gz ADPYRBILIYOPNZ-LLVKDONJSA-N -1 0 376.762 3.224 20 30 GGEDRM N#Cc1ccc(OCCNc2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)cc1 ZINC000822832843 1423822719 /nfs/dbraw/zinc/82/27/19/1423822719.db2.gz GLAOVLHKZPGTRN-UHFFFAOYSA-N -1 0 393.357 3.056 20 30 GGEDRM CCCN(C)c1ccc(C([O-])=C(C#N)C(=O)NCc2ccc(OC)cc2)cc1 ZINC000179984334 1429675033 /nfs/dbraw/zinc/67/50/33/1429675033.db2.gz DAUNHIKOKGQZGD-FQEVSTJZSA-N -1 0 379.460 3.180 20 30 GGEDRM C=CCOc1ccc(C=CC(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1OC ZINC000129254713 1423908886 /nfs/dbraw/zinc/90/88/86/1423908886.db2.gz PRYODKWTPOWDEC-VZUCSPMQSA-N -1 0 377.404 3.092 20 30 GGEDRM C#CCN(Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)[C@H]1CCc2ccccc21 ZINC000819702277 1423986614 /nfs/dbraw/zinc/98/66/14/1423986614.db2.gz WMLDYJNGVXVSAK-IBGZPJMESA-N -1 0 397.442 3.039 20 30 GGEDRM N#Cc1cccc(OCc2ccoc2C(=O)Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000104367824 1423993332 /nfs/dbraw/zinc/99/33/32/1423993332.db2.gz MSWBWKFLGXXGJA-UHFFFAOYSA-N -1 0 386.371 3.163 20 30 GGEDRM Cc1cccc(N(CCC#N)C(=O)CNc2cccc(-c3nn[n-]n3)c2C)c1C ZINC000822309140 1424003629 /nfs/dbraw/zinc/00/36/29/1424003629.db2.gz NDPONGGFRMWGDM-UHFFFAOYSA-N -1 0 389.463 3.151 20 30 GGEDRM CCC[C@H](NC(=O)c1ccc(Sc2ccccc2C#N)cc1)c1nn[n-]n1 ZINC000136634944 1424011098 /nfs/dbraw/zinc/01/10/98/1424011098.db2.gz BXBOSODMXHAUNU-INIZCTEOSA-N -1 0 378.461 3.494 20 30 GGEDRM COc1ccc(C=CC(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)cc1-c1nn[n-]n1 ZINC000821786604 1424049645 /nfs/dbraw/zinc/04/96/45/1424049645.db2.gz GNMIMYOZWSSKMD-XBXARRHUSA-N -1 0 389.415 3.001 20 30 GGEDRM C=CCN(CC=C)C(=O)c1ccc([N-]S(=O)(=O)c2cnn(C(C)C)c2)cc1 ZINC000157691663 1424065516 /nfs/dbraw/zinc/06/55/16/1424065516.db2.gz KOILQKCAUSMKLN-UHFFFAOYSA-N -1 0 388.493 3.079 20 30 GGEDRM C=CCOc1cccc([N-]S(=O)(=O)c2c(F)cc(NC(C)=O)cc2F)c1 ZINC000157693356 1424066181 /nfs/dbraw/zinc/06/61/81/1424066181.db2.gz QNICYTFGXOGGCF-UHFFFAOYSA-N -1 0 382.388 3.289 20 30 GGEDRM Cc1cc(C#N)ccc1C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)nc1 ZINC000826256857 1424099349 /nfs/dbraw/zinc/09/93/49/1424099349.db2.gz CTAPBROMCJGFBJ-UHFFFAOYSA-N -1 0 397.398 3.486 20 30 GGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(COCc3ccccc3)cc2)cn1 ZINC000157891036 1424113710 /nfs/dbraw/zinc/11/37/10/1424113710.db2.gz FTZOBPLWVHCKCN-UHFFFAOYSA-N -1 0 379.441 3.471 20 30 GGEDRM C#CCCCNC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2OC)cc1 ZINC000819693671 1424115561 /nfs/dbraw/zinc/11/55/61/1424115561.db2.gz VDBWCQOQDSYYSZ-UHFFFAOYSA-N -1 0 392.419 3.203 20 30 GGEDRM N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]c1ccc2c(c1)NC(=O)CC2 ZINC000157910573 1424117839 /nfs/dbraw/zinc/11/78/39/1424117839.db2.gz VZASFOAFBSFGCA-UHFFFAOYSA-N -1 0 395.362 3.263 20 30 GGEDRM C#CCOc1ccc(F)cc1[N-]S(=O)(=O)c1sccc1Br ZINC000157987499 1424135308 /nfs/dbraw/zinc/13/53/08/1424135308.db2.gz WMLRECVCQMTLCU-UHFFFAOYSA-N -1 0 390.255 3.463 20 30 GGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2-c2n[nH]c(C3CC3)n2)c(F)c1 ZINC000158024019 1424141777 /nfs/dbraw/zinc/14/17/77/1424141777.db2.gz CBUQMLUWTBKWCC-UHFFFAOYSA-N -1 0 383.408 3.161 20 30 GGEDRM CCOCCOCc1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2F)c1 ZINC000158062725 1424154100 /nfs/dbraw/zinc/15/41/00/1424154100.db2.gz DYKYPJVOKBHEPW-UHFFFAOYSA-N -1 0 378.425 3.051 20 30 GGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC3CCCC3)cc2)c(F)c1 ZINC000158069376 1424156451 /nfs/dbraw/zinc/15/64/51/1424156451.db2.gz JBAGSSVMNHKKCN-UHFFFAOYSA-N -1 0 387.436 3.171 20 30 GGEDRM CC(C)OCCOCc1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2F)c1 ZINC000158098069 1424167643 /nfs/dbraw/zinc/16/76/43/1424167643.db2.gz RDPDZZCZHINRBT-UHFFFAOYSA-N -1 0 392.452 3.440 20 30 GGEDRM Cc1c([N-]S(=O)(=O)c2ccc(C#N)cc2F)cccc1C(=O)N1CCCC1 ZINC000158110096 1424169095 /nfs/dbraw/zinc/16/90/95/1424169095.db2.gz MRHHJXHWNHUGLM-UHFFFAOYSA-N -1 0 387.436 3.043 20 30 GGEDRM O=C1c2cc(Br)ccc2OC1=Cc1ccc(-c2nn[n-]n2)s1 ZINC000823504654 1424179942 /nfs/dbraw/zinc/17/99/42/1424179942.db2.gz SMIIACVFRSDBMM-IZZDOVSWSA-N -1 0 375.207 3.307 20 30 GGEDRM C=C(Cl)CSc1nc(C)c(CC(=O)N[C@H](CCC)c2nn[n-]n2)s1 ZINC000819362901 1424199936 /nfs/dbraw/zinc/19/99/36/1424199936.db2.gz IDTXALVJYKDFIG-SNVBAGLBSA-N -1 0 386.934 3.009 20 30 GGEDRM N#Cc1ccc(Oc2cccc(C(=O)NCc3ccc(-c4nn[n-]n4)cc3)c2)cc1 ZINC000110786621 1424242363 /nfs/dbraw/zinc/24/23/63/1424242363.db2.gz PUONWJMYESUEQO-UHFFFAOYSA-N -1 0 396.410 3.461 20 30 GGEDRM C#Cc1cccc(N2C(=O)C(=Cc3cc(-c4nn[n-]n4)cs3)SC2=S)c1 ZINC000819710007 1424303993 /nfs/dbraw/zinc/30/39/93/1424303993.db2.gz VLHXLQKZGRQHOX-RIYZIHGNSA-N -1 0 395.494 3.315 20 30 GGEDRM CC(C)NC(=O)C(C#N)=C([O-])c1cc(Br)cc(Br)c1 ZINC000180739099 1430009560 /nfs/dbraw/zinc/00/95/60/1430009560.db2.gz DHUABMSWMHYBSN-LLVKDONJSA-N -1 0 388.059 3.059 20 30 GGEDRM C=CCCCN(C)C(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC000823893889 1424359606 /nfs/dbraw/zinc/35/96/06/1424359606.db2.gz APCJUUPKHAOJMG-UHFFFAOYSA-N -1 0 386.847 3.136 20 30 GGEDRM N#Cc1ccc(C=NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c(F)c1 ZINC000822826470 1424387217 /nfs/dbraw/zinc/38/72/17/1424387217.db2.gz ZXRMXALCXZISSR-UHFFFAOYSA-N -1 0 375.289 3.342 20 30 GGEDRM N#Cc1ccc(Oc2cccc(C(=O)Nc3cc(-c4nnn[n-]4)ccc3O)c2)cc1 ZINC000822833556 1424392623 /nfs/dbraw/zinc/39/26/23/1424392623.db2.gz RSYHUUQWMRGNJT-UHFFFAOYSA-N -1 0 398.382 3.489 20 30 GGEDRM C#CC[C@@H](OC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1)C1CC1 ZINC000819693633 1424393675 /nfs/dbraw/zinc/39/36/75/1424393675.db2.gz URAWCQIQPQKRSK-QGZVFWFLSA-N -1 0 375.388 3.013 20 30 GGEDRM Cc1cncc(C(=O)[C@H](C#N)c2nc(-c3ccc(-c4nn[n-]n4)cc3)cs2)c1 ZINC000822399454 1424435059 /nfs/dbraw/zinc/43/50/59/1424435059.db2.gz ILTUXTQXSNVLBP-HNNXBMFYSA-N -1 0 387.428 3.184 20 30 GGEDRM Cc1c(C#N)cccc1NC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000822015141 1424457895 /nfs/dbraw/zinc/45/78/95/1424457895.db2.gz FDPJDHJPTJDNCG-UHFFFAOYSA-N -1 0 397.398 3.486 20 30 GGEDRM C=C[C@H](CC(=O)O[C@@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000823882811 1424489772 /nfs/dbraw/zinc/48/97/72/1424489772.db2.gz DKSPROVQEGHZNZ-LSDHHAIUSA-N -1 0 391.431 3.097 20 30 GGEDRM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)Nc2ccc(F)cc2OCC#N)n1 ZINC000159525079 1424511261 /nfs/dbraw/zinc/51/12/61/1424511261.db2.gz HSPVTSRXJBQCJI-UHFFFAOYSA-N -1 0 384.342 3.319 20 30 GGEDRM C#CCOc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1OCC ZINC000823856798 1424519483 /nfs/dbraw/zinc/51/94/83/1424519483.db2.gz YMJICWXDKZKRQX-UITAMQMPSA-N -1 0 392.390 3.313 20 30 GGEDRM O=C1[C@H](/N=C/c2cc([N+](=O)[O-])ccc2[O-])CCN1c1ccc(Cl)c(F)c1 ZINC000160101721 1424574733 /nfs/dbraw/zinc/57/47/33/1424574733.db2.gz OEDKFDUKUKPVQK-UPWAIKHBSA-N -1 0 377.759 3.317 20 30 GGEDRM Cc1cccc(N(CCC#N)S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)c1 ZINC000160167385 1424582131 /nfs/dbraw/zinc/58/21/31/1424582131.db2.gz IHIFGBUYJRHMHN-UHFFFAOYSA-N -1 0 380.372 3.080 20 30 GGEDRM CC1=CC(=O)C(=C([O-])C=Cc2cn(Cc3ccccc3)nc2C(C)(C)C)C(=O)O1 ZINC000160347710 1424596991 /nfs/dbraw/zinc/59/69/91/1424596991.db2.gz OYIPRKODYGHEMJ-CFGKVWFZSA-N -1 0 392.455 3.457 20 30 GGEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1nc(SCc2ccccc2)n[nH]1 ZINC000160442766 1424603966 /nfs/dbraw/zinc/60/39/66/1424603966.db2.gz RLITXLGMNJMPIJ-UHFFFAOYSA-N -1 0 385.474 3.078 20 30 GGEDRM CCn1c(=O)c2ccc(C(=O)OC[C@H](C#N)Cc3cccs3)cc2[n-]c1=S ZINC000180102770 1429739202 /nfs/dbraw/zinc/73/92/02/1429739202.db2.gz RWCRVXDSSXEYCF-LBPRGKRZSA-N -1 0 399.497 3.306 20 30 GGEDRM CC(C)Oc1ccc(C#N)cc1NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820154981 1424615738 /nfs/dbraw/zinc/61/57/38/1424615738.db2.gz GCJJABGESGOOQE-UHFFFAOYSA-N -1 0 384.346 3.056 20 30 GGEDRM CN(Cn1ccc(-c2ccc(C#N)cc2)n1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000825999095 1424618090 /nfs/dbraw/zinc/61/80/90/1424618090.db2.gz LKBKSZWCFJFLQX-UHFFFAOYSA-N -1 0 390.838 3.349 20 30 GGEDRM CC(C)(C)c1cc(NC(=O)Cc2ccc(OCC#N)cc2)c(-c2nn[n-]n2)s1 ZINC000824130860 1424641034 /nfs/dbraw/zinc/64/10/34/1424641034.db2.gz QARLBRNZCUKXGL-UHFFFAOYSA-N -1 0 396.476 3.309 20 30 GGEDRM CCCCCCC[C@]1(C)NC(=O)N([N-]C(=O)c2noc3c2CCCCC3)C1=O ZINC000160933895 1424646200 /nfs/dbraw/zinc/64/62/00/1424646200.db2.gz VZYCTYFVWPNVDA-FQEVSTJZSA-N -1 0 390.484 3.259 20 30 GGEDRM CCCCCCC[C@@]1(C)NC(=O)N([N-]C(=O)c2noc3c2CCCCC3)C1=O ZINC000160933762 1424646278 /nfs/dbraw/zinc/64/62/78/1424646278.db2.gz VZYCTYFVWPNVDA-HXUWFJFHSA-N -1 0 390.484 3.259 20 30 GGEDRM C=C(C)CNC(=O)c1cccc(S(=O)(=O)[N-]c2cc(Cl)ccc2OC)c1 ZINC000161016971 1424652797 /nfs/dbraw/zinc/65/27/97/1424652797.db2.gz KALYCIJWZHQJLD-UHFFFAOYSA-N -1 0 394.880 3.455 20 30 GGEDRM Cc1oc(-c2ccccc2F)nc1C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000737547556 1424654468 /nfs/dbraw/zinc/65/44/68/1424654468.db2.gz KSLDLMZFHODDOM-UHFFFAOYSA-N -1 0 389.350 3.093 20 30 GGEDRM CCC(CC)CN(CCC#N)CC(=O)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000820893083 1424684594 /nfs/dbraw/zinc/68/45/94/1424684594.db2.gz JCTRVCAXQYQDBW-UHFFFAOYSA-N -1 0 389.891 3.110 20 30 GGEDRM COc1c(F)cc([N-]S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1F ZINC000161469628 1424693261 /nfs/dbraw/zinc/69/32/61/1424693261.db2.gz AAMDBQIDRAKTKH-UHFFFAOYSA-N -1 0 389.248 3.470 20 30 GGEDRM N#CCCCCNC(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737686869 1424769850 /nfs/dbraw/zinc/76/98/50/1424769850.db2.gz FEYCULOHZYGLPC-UHFFFAOYSA-N -1 0 377.408 3.474 20 30 GGEDRM CCc1ccc(C([O-])=C(C#N)c2nc3ccccc3n2C)cc1S(C)(=O)=O ZINC000161887913 1424789383 /nfs/dbraw/zinc/78/93/83/1424789383.db2.gz UBZXLEJQHCVBHT-HNNXBMFYSA-N -1 0 381.457 3.029 20 30 GGEDRM CC(=O)Nc1cc(C([O-])=C(C#N)C(=O)NC2CCCCC2)cc(C(F)(F)F)c1 ZINC000162408288 1424847857 /nfs/dbraw/zinc/84/78/57/1424847857.db2.gz FPKTWALHSPXAKE-MRXNPFEDSA-N -1 0 395.381 3.435 20 30 GGEDRM CC1(C)C(=O)Nc2ccc(C(=O)C=Cc3ccc(F)c(-c4nn[n-]n4)c3)cc21 ZINC000824784117 1424849169 /nfs/dbraw/zinc/84/91/69/1424849169.db2.gz NPNQEJQYBYYZBS-XBXARRHUSA-N -1 0 377.379 3.132 20 30 GGEDRM CC(N=Nc1ncnc2sc3c(c21)CCC3)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823962633 1424861606 /nfs/dbraw/zinc/86/16/06/1424861606.db2.gz NTNDSJDSHZBZKA-UHFFFAOYSA-N -1 0 394.439 3.335 20 30 GGEDRM CC(C(=O)[N-]S(=O)(=O)c1cc(Br)cc(C#N)c1)=C1CCCC1 ZINC000162557794 1424866126 /nfs/dbraw/zinc/86/61/26/1424866126.db2.gz IHZBKKOOEJSZGD-UHFFFAOYSA-N -1 0 383.267 3.016 20 30 GGEDRM C#Cc1cccc(N2C(=O)C(=Cc3ccc(-c4nn[n-]n4)s3)SC2=S)c1 ZINC000819709333 1424880103 /nfs/dbraw/zinc/88/01/03/1424880103.db2.gz DFEMCHQPMOZWAR-NTEUORMPSA-N -1 0 395.494 3.315 20 30 GGEDRM CCN(C(=O)C=Cc1ccccc1C#N)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825367414 1429761106 /nfs/dbraw/zinc/76/11/06/1429761106.db2.gz PRFNJWBRNLXRRG-YFHOEESVSA-N -1 0 378.823 3.458 20 30 GGEDRM C=CCn1c(=O)c2ccc(C(=O)N3CCc4ccc(F)cc4C3)cc2[n-]c1=S ZINC000162758561 1424888193 /nfs/dbraw/zinc/88/81/93/1424888193.db2.gz FWGODKGUPBIRNS-UHFFFAOYSA-N -1 0 395.459 3.209 20 30 GGEDRM Cc1cccc(C(=O)[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)c1F ZINC000162983652 1424917493 /nfs/dbraw/zinc/91/74/93/1424917493.db2.gz BLYPGBMBMMIZFD-UHFFFAOYSA-N -1 0 386.326 3.143 20 30 GGEDRM N#CCOc1ccc(CSc2nc3c(cc2-c2nn[n-]n2)CCCC3)cc1 ZINC000737698551 1424947757 /nfs/dbraw/zinc/94/77/57/1424947757.db2.gz ZZQFFRFUKPOIEN-UHFFFAOYSA-N -1 0 378.461 3.335 20 30 GGEDRM C[C@H](NC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C)c1cccc(C#N)c1 ZINC000820373845 1424957020 /nfs/dbraw/zinc/95/70/20/1424957020.db2.gz JSYOPGHAAPVGQK-LBPRGKRZSA-N -1 0 378.440 3.178 20 30 GGEDRM Cc1cc(-c2nn[n-]n2)ccc1C(=O)[C@H](C#N)c1nc(-c2ccncc2)cs1 ZINC000826243884 1424964096 /nfs/dbraw/zinc/96/40/96/1424964096.db2.gz ZKSKPBOYJQVRFK-HNNXBMFYSA-N -1 0 387.428 3.184 20 30 GGEDRM C[C@H](C#N)CSc1ccccc1NC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000735501946 1424968012 /nfs/dbraw/zinc/96/80/12/1424968012.db2.gz ASDISIGKHYCNMK-CYBMUJFWSA-N -1 0 378.461 3.300 20 30 GGEDRM Cn1cc(-c2nn[n-]n2)cc1C(=O)Nc1sc2c(c1C#N)CCCCCC2 ZINC000822655383 1424971692 /nfs/dbraw/zinc/97/16/92/1424971692.db2.gz HDQVKDBIWQRZPS-UHFFFAOYSA-N -1 0 381.465 3.050 20 30 GGEDRM CC(C)Oc1ccccc1C=NOCc1cn2ccccc2c1-c1nn[n-]n1 ZINC000820177815 1424979921 /nfs/dbraw/zinc/97/99/21/1424979921.db2.gz AYDXIRILHQIEIC-UHFFFAOYSA-N -1 0 376.420 3.457 20 30 GGEDRM N#CCCn1cc(C(=O)COc2ccc(-c3nn[n-]n3)c(F)c2)c2ccccc21 ZINC000737694935 1424979954 /nfs/dbraw/zinc/97/99/54/1424979954.db2.gz QIQCQHCKTHPSQS-UHFFFAOYSA-N -1 0 390.378 3.136 20 30 GGEDRM N#Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCO[C@H](c3ccccc3)C2)c(F)c1 ZINC000163376566 1424987635 /nfs/dbraw/zinc/98/76/35/1424987635.db2.gz FWGRUSKWHKJNSN-PBHICJAKSA-N -1 0 378.400 3.035 20 30 GGEDRM CC(=NNCc1ccc(-c2nn[n-]n2)cc1)[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000823953795 1425064665 /nfs/dbraw/zinc/06/46/65/1425064665.db2.gz QLFCEAPSIDOBQG-ZDUSSCGKSA-N -1 0 379.424 3.119 20 30 GGEDRM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)Nc1ccccc1O[C@@H](C)C#N ZINC000825626436 1425107166 /nfs/dbraw/zinc/10/71/66/1425107166.db2.gz LVGCVSBNTLTNHQ-LBPRGKRZSA-N -1 0 393.407 3.200 20 30 GGEDRM C=CCN(Cc1ccccc1F)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000735426181 1425128497 /nfs/dbraw/zinc/12/84/97/1425128497.db2.gz LNKMBWOBJFZAFG-UHFFFAOYSA-N -1 0 384.390 3.043 20 30 GGEDRM N#Cc1cccc(Oc2ccc(NC(=O)c3cc(-c4nnn[n-]4)cs3)cn2)c1 ZINC000822837371 1425149803 /nfs/dbraw/zinc/14/98/03/1425149803.db2.gz LPZDGSOMZCBRSB-UHFFFAOYSA-N -1 0 389.400 3.239 20 30 GGEDRM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cccnc1-c1ccccc1 ZINC000164967891 1425153053 /nfs/dbraw/zinc/15/30/53/1425153053.db2.gz JQOCASCBENZAKC-UHFFFAOYSA-N -1 0 380.385 3.329 20 30 GGEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1cc(Br)cc(C(F)(F)F)c1 ZINC000165387988 1425177299 /nfs/dbraw/zinc/17/72/99/1425177299.db2.gz GJFNXOMKOMIPRU-LBPRGKRZSA-N -1 0 389.171 3.413 20 30 GGEDRM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000820001704 1425178068 /nfs/dbraw/zinc/17/80/68/1425178068.db2.gz ZHBLOLVJBKEMKC-UHFFFAOYSA-N -1 0 382.811 3.188 20 30 GGEDRM C=CCN(CCc1ccco1)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000823904275 1425180305 /nfs/dbraw/zinc/18/03/05/1425180305.db2.gz ZACQKPAVCYMTCA-UHFFFAOYSA-N -1 0 383.456 3.279 20 30 GGEDRM Clc1ccc(C=NNCc2ccc(-c3nn[n-]n3)cc2)c(Br)c1 ZINC000822573766 1425295090 /nfs/dbraw/zinc/29/50/90/1425295090.db2.gz HVUMOMORGUDOLH-UHFFFAOYSA-N -1 0 391.660 3.406 20 30 GGEDRM CC[C@H](C#N)Oc1cc(CNc2ccc(F)cc2-c2nn[n-]n2)ccc1OC ZINC000820843231 1425307060 /nfs/dbraw/zinc/30/70/60/1425307060.db2.gz VUXYAEDLBJIIIR-CQSZACIVSA-N -1 0 382.399 3.307 20 30 GGEDRM CC[C@@H](C#N)Oc1cccc(CNC(=S)Nc2ccccc2-c2nn[n-]n2)c1 ZINC000736309796 1425308288 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GGEDRM N#Cc1cccc(S(=O)(=O)[N-]C(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2Cl)c1 ZINC000170960354 1425417337 /nfs/dbraw/zinc/41/73/37/1425417337.db2.gz FTWMQFUKZXGCSD-GJZGRUSLSA-N -1 0 395.267 3.474 20 30 GGEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C=Cc1ccc(Cl)nc1 ZINC000823909877 1425430484 /nfs/dbraw/zinc/43/04/84/1425430484.db2.gz SIJPLZRJSBLXTF-VQHVLOKHSA-N -1 0 380.839 3.143 20 30 GGEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H]1CCC[C@H](SC)C1 ZINC000735420402 1425487318 /nfs/dbraw/zinc/48/73/18/1425487318.db2.gz PGWYSSPTMORUHX-IRXDYDNUSA-N -1 0 386.525 3.239 20 30 GGEDRM O=C(C=Cc1cnc2ccc(-c3nn[n-]n3)cn12)c1ccc(OC(F)F)cc1 ZINC000737807217 1425495763 /nfs/dbraw/zinc/49/57/63/1425495763.db2.gz PALWGNSEVHIYSW-QPJJXVBHSA-N -1 0 382.330 3.012 20 30 GGEDRM N#Cc1cccc(S(=O)(=O)[N-]c2ccnn2[C@@H]2CCCc3ccccc32)c1 ZINC000171143596 1425506170 /nfs/dbraw/zinc/50/61/70/1425506170.db2.gz DRCYPTFHXSPMJE-LJQANCHMSA-N -1 0 378.457 3.481 20 30 GGEDRM CC(C)c1nc(C([O-])=C(C#N)c2nc(N)nc(Nc3ccccc3)n2)cs1 ZINC000171145926 1425507395 /nfs/dbraw/zinc/50/73/95/1425507395.db2.gz JVUKHUSENMWJDB-LBPRGKRZSA-N -1 0 379.449 3.267 20 30 GGEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H](CC)c1ccncc1 ZINC000819743475 1425509887 /nfs/dbraw/zinc/50/98/87/1425509887.db2.gz KFZOOLMFAVKZFQ-SFHVURJKSA-N -1 0 377.452 3.111 20 30 GGEDRM N#Cc1ccc(NC(=O)c2sccc2SC(F)F)cc1-c1nn[n-]n1 ZINC000737720065 1425556324 /nfs/dbraw/zinc/55/63/24/1425556324.db2.gz YDDTUBFDLUOJOB-UHFFFAOYSA-N -1 0 378.389 3.367 20 30 GGEDRM N#CC(C(=O)Nc1ccc(Cl)cc1Cl)=C([O-])c1ccc(C(N)=O)s1 ZINC000171266316 1425582854 /nfs/dbraw/zinc/58/28/54/1425582854.db2.gz NMZRQYGHDTUABO-MRVPVSSYSA-N -1 0 382.228 3.115 20 30 GGEDRM CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000736236388 1425605755 /nfs/dbraw/zinc/60/57/55/1425605755.db2.gz JAVJPBYOBKWQEP-RPVQJOFSSA-N -1 0 382.468 3.154 20 30 GGEDRM Cc1noc2nc(C(C)C)cc(C([O-])=C(C#N)c3nnc4n3CCCCC4)c12 ZINC000171330016 1425620565 /nfs/dbraw/zinc/62/05/65/1425620565.db2.gz 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AILJRZKWXFEOHM-QGZVFWFLSA-N -1 0 396.838 3.434 20 30 GGEDRM CC(C)n1ncc2ccc([N-]S(=O)(=O)c3ccc(C#N)cc3[N+](=O)[O-])cc21 ZINC000172816474 1426202049 /nfs/dbraw/zinc/20/20/49/1426202049.db2.gz JKPOTBRVTKDBIE-UHFFFAOYSA-N -1 0 385.405 3.198 20 30 GGEDRM CCn1c2ccccc2nc1C(C)N=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1 ZINC000736720178 1426214398 /nfs/dbraw/zinc/21/43/98/1426214398.db2.gz LJCJHWGNRLZMNB-UHFFFAOYSA-N -1 0 393.455 3.358 20 30 GGEDRM N#Cc1ccc(-n2ccc(NCc3cc(-c4nnn[n-]4)cs3)n2)c(Cl)c1 ZINC000826384544 1426215240 /nfs/dbraw/zinc/21/52/40/1426215240.db2.gz ZMIJYLHOWKJFAS-UHFFFAOYSA-N -1 0 382.840 3.251 20 30 GGEDRM N#Cc1cccc(Cl)c1NCc1nc(-c2cccc(-c3nnn[n-]3)c2)c[nH]1 ZINC000826386568 1426235418 /nfs/dbraw/zinc/23/54/18/1426235418.db2.gz JZNMNTDVVDAEOR-UHFFFAOYSA-N -1 0 376.811 3.394 20 30 GGEDRM Cn1cc(C=C2Cc3c(cccc3F)C2=O)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826360018 1426295122 /nfs/dbraw/zinc/29/51/22/1426295122.db2.gz VMMZNSPBVWGABJ-NTEUORMPSA-N -1 0 386.390 3.229 20 30 GGEDRM Cc1c(NC(=O)NCCSCc2ccccc2C#N)cccc1-c1nn[n-]n1 ZINC000822096042 1426308544 /nfs/dbraw/zinc/30/85/44/1426308544.db2.gz JFNGEHUBSQAKEF-UHFFFAOYSA-N -1 0 393.476 3.102 20 30 GGEDRM N#Cc1ccc(S[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)c(F)c1 ZINC000826385993 1426373771 /nfs/dbraw/zinc/37/37/71/1426373771.db2.gz KRNNWNMBRJMFMV-QGZVFWFLSA-N -1 0 394.435 3.165 20 30 GGEDRM Cc1ccc(SCCC(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1C ZINC000737369053 1426476361 /nfs/dbraw/zinc/47/63/61/1426476361.db2.gz QMBVDPBHFPIBTJ-UHFFFAOYSA-N -1 0 378.461 3.476 20 30 GGEDRM CC(C)(C=NNCc1ccc(-c2nn[n-]n2)cc1)[C@@H](C[N+](=O)[O-])c1ccccc1 ZINC000819976186 1426491040 /nfs/dbraw/zinc/49/10/40/1426491040.db2.gz PIBDWADKACTIHH-SFHVURJKSA-N -1 0 393.451 3.029 20 30 GGEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H]1CCN(C)c2ccccc21 ZINC000823909606 1426554822 /nfs/dbraw/zinc/55/48/22/1426554822.db2.gz KXVDVBMOJNSYCT-IBGZPJMESA-N -1 0 388.475 3.005 20 30 GGEDRM COCCC(N=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000736977569 1426558459 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CCOc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)cc1[N+](=O)[O-] ZINC000825631587 1426721060 /nfs/dbraw/zinc/72/10/60/1426721060.db2.gz DHMCRIGGOMLMFG-ALCCZGGFSA-N -1 0 383.339 3.209 20 30 GGEDRM C[C@H](C#N)CSc1ccccc1NC(=O)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000824035299 1426725620 /nfs/dbraw/zinc/72/56/20/1426725620.db2.gz WLEIOXPBURUCRT-SNVBAGLBSA-N -1 0 399.867 3.419 20 30 GGEDRM C=CCn1c(=O)c2ccc(C(=O)NCC[C@@H](OCC)C(C)C)cc2[n-]c1=S ZINC000173568003 1426735785 /nfs/dbraw/zinc/73/57/85/1426735785.db2.gz FAJMMVNFFDQKTK-QGZVFWFLSA-N -1 0 389.521 3.052 20 30 GGEDRM N#Cc1ccc(-n2ccc(NCc3ccc(F)c(-c4nnn[n-]4)c3)n2)c(Cl)c1 ZINC000826384345 1426753703 /nfs/dbraw/zinc/75/37/03/1426753703.db2.gz RJVXZLRKFNHZPE-UHFFFAOYSA-N -1 0 394.801 3.329 20 30 GGEDRM CC[C@H](C#N)NC(=O)c1cccc(Oc2cccc(Cl)c2-c2nn[n-]n2)c1 ZINC000736308788 1426762690 /nfs/dbraw/zinc/76/26/90/1426762690.db2.gz ICKAETSTMGOKHG-GFCCVEGCSA-N -1 0 382.811 3.344 20 30 GGEDRM Cc1nc(-c2cccs2)sc1C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000737464304 1426775053 /nfs/dbraw/zinc/77/50/53/1426775053.db2.gz JRRTXRDLVRVMEO-UHFFFAOYSA-N -1 0 393.457 3.484 20 30 GGEDRM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)c1ccc(C#N)s1 ZINC000821389964 1426786118 /nfs/dbraw/zinc/78/61/18/1426786118.db2.gz RUKCWDVAJMWSAV-UHFFFAOYSA-N -1 0 375.797 3.071 20 30 GGEDRM CCc1cnc(C=CC(=O)c2cnn(-c3ccc(-c4nn[n-]n4)cc3)c2C)s1 ZINC000825733357 1426801235 /nfs/dbraw/zinc/80/12/35/1426801235.db2.gz DDASGEHZFNYVJU-HJWRWDBZSA-N -1 0 391.460 3.276 20 30 GGEDRM CCOCc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)ccc1OC ZINC000825604380 1426845720 /nfs/dbraw/zinc/84/57/20/1426845720.db2.gz IFKWQKSZSFZPNT-YWEYNIOJSA-N -1 0 382.395 3.447 20 30 GGEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)cc1 ZINC000173889018 1426882239 /nfs/dbraw/zinc/88/22/39/1426882239.db2.gz DUBPHODMNUFDPE-HZPDHXFCSA-N -1 0 395.267 3.474 20 30 GGEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)cc1 ZINC000173889032 1426882364 /nfs/dbraw/zinc/88/23/64/1426882364.db2.gz 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ZINC000184812248 1430984713 /nfs/dbraw/zinc/98/47/13/1430984713.db2.gz PXDSDHKHYKBDJO-UHFFFAOYSA-N -1 0 388.836 3.207 20 30 GGEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccccc1-c1n[nH]c(C(C)C)n1 ZINC000184811817 1430984973 /nfs/dbraw/zinc/98/49/73/1430984973.db2.gz XLYOZWUETJQFOH-UHFFFAOYSA-N -1 0 397.460 3.276 20 30 GGEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccccc1NCC(F)(F)F ZINC000184820267 1430990396 /nfs/dbraw/zinc/99/03/96/1430990396.db2.gz ROHFVAWPZUWYOX-UHFFFAOYSA-N -1 0 385.367 3.342 20 30 GGEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(C)c(OCC(F)F)c1 ZINC000184840418 1430999828 /nfs/dbraw/zinc/99/98/28/1430999828.db2.gz AQBOTKVFXRECMS-UHFFFAOYSA-N -1 0 382.388 3.320 20 30 GGEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc(C)n(-c2cccc(F)c2)n1 ZINC000184874605 1431009430 /nfs/dbraw/zinc/00/94/30/1431009430.db2.gz GSCHGYKDKDCGHG-UHFFFAOYSA-N -1 0 386.408 3.001 20 30 GGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c3ncccc23)cc1Cl ZINC000184967942 1431032899 /nfs/dbraw/zinc/03/28/99/1431032899.db2.gz XHIHDDFMVWCXGJ-UHFFFAOYSA-N -1 0 388.792 3.469 20 30 GGEDRM CCc1noc2ncc(S(=O)(=O)[N-]c3cc(C#N)ccc3OC(C)C)cc12 ZINC000185588321 1431177795 /nfs/dbraw/zinc/17/77/95/1431177795.db2.gz HEIUGYGCLIAOOY-UHFFFAOYSA-N -1 0 386.433 3.245 20 30 GGEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccnn1-c1ccc(Cl)cc1 ZINC000185622453 1431186924 /nfs/dbraw/zinc/18/69/24/1431186924.db2.gz LRHNQHDJEFWKAR-UHFFFAOYSA-N -1 0 388.836 3.207 20 30 GGEDRM CCc1noc2ncc(S(=O)(=O)[N-]c3ccc(OC(C)C)c(C#N)c3)cc12 ZINC000185629879 1431188675 /nfs/dbraw/zinc/18/86/75/1431188675.db2.gz BVVPBTCPDHWIDJ-UHFFFAOYSA-N -1 0 386.433 3.245 20 30 GGEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc2c(c1)nc(C1CC1)n2C ZINC000185636723 1431190833 /nfs/dbraw/zinc/19/08/33/1431190833.db2.gz VQEHPYWLQVRCGU-UHFFFAOYSA-N -1 0 382.445 3.132 20 30 GGEDRM N#Cc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)cc1Cl ZINC000185638185 1431191522 /nfs/dbraw/zinc/19/15/22/1431191522.db2.gz QTRYIERNTVHLFS-UHFFFAOYSA-N -1 0 388.792 3.469 20 30 GGEDRM C=CCN1C(=S)N=NC1c1sc(NC(=O)c2c([O-])cccc2F)nc1C ZINC000185708341 1431212426 /nfs/dbraw/zinc/21/24/26/1431212426.db2.gz ZKOATTKFVSASCI-UHFFFAOYSA-N -1 0 391.453 3.282 20 30 GGEDRM Cn1nc(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)cc1OC(F)F ZINC000186208322 1431352753 /nfs/dbraw/zinc/35/27/53/1431352753.db2.gz UNJCWFQBSKFNPY-MRVPVSSYSA-N -1 0 381.289 3.256 20 30 GGEDRM N#Cc1cc(F)c(S(=O)(=O)[N-]C[C@@H](c2ccccc2)C(F)(F)F)c(F)c1 ZINC000186277772 1431369830 /nfs/dbraw/zinc/36/98/30/1431369830.db2.gz BGTORTBQGLZPJT-LBPRGKRZSA-N -1 0 390.333 3.461 20 30 GGEDRM N#Cc1cc(F)c(S(=O)(=O)[N-]C[C@H](c2ccccc2)C(F)(F)F)c(F)c1 ZINC000186277757 1431369878 /nfs/dbraw/zinc/36/98/78/1431369878.db2.gz BGTORTBQGLZPJT-GFCCVEGCSA-N -1 0 390.333 3.461 20 30 GGEDRM CC[C@H](C#N)Oc1cc(CNC(=O)c2cc(F)c(F)c([O-])c2F)ccc1OC ZINC000186355624 1431390687 /nfs/dbraw/zinc/39/06/87/1431390687.db2.gz WKXIIUMGAVMGCA-LLVKDONJSA-N -1 0 394.349 3.429 20 30 GGEDRM CC(C)n1cc(C#N)c([N-]S(=O)(=O)c2ccccc2C(=O)c2ccccc2)n1 ZINC000186469471 1431427744 /nfs/dbraw/zinc/42/77/44/1431427744.db2.gz SDPSOMDSFKKCBZ-UHFFFAOYSA-N -1 0 394.456 3.367 20 30 GGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(C#N)c(Br)cn2)c(Cl)c1 ZINC000186646800 1431479809 /nfs/dbraw/zinc/47/98/09/1431479809.db2.gz AQXGRXUDLUSRBB-UHFFFAOYSA-N -1 0 397.641 3.042 20 30 GGEDRM Cc1ccc(C(=O)NC2CC2)cc1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000186948323 1431573927 /nfs/dbraw/zinc/57/39/27/1431573927.db2.gz MCAWQJRZKMNEPY-UHFFFAOYSA-N -1 0 389.864 3.213 20 30 GGEDRM N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]c1ccc(OC2COC2)cc1 ZINC000188594483 1431898354 /nfs/dbraw/zinc/89/83/54/1431898354.db2.gz VBZKGSDVAUCTFB-UHFFFAOYSA-N -1 0 398.362 3.155 20 30 GGEDRM C=CCCN(OCc1ccccc1)C(=O)c1cc(F)ccc1[N-]S(C)(=O)=O ZINC000189894031 1432265654 /nfs/dbraw/zinc/26/56/54/1432265654.db2.gz XWZMURSRGSVTHA-UHFFFAOYSA-N -1 0 392.452 3.347 20 30 GGEDRM C=CCCN(OCc1ccccc1)C(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O ZINC000189893956 1432265741 /nfs/dbraw/zinc/26/57/41/1432265741.db2.gz MVDFGEWLZVTFGH-UHFFFAOYSA-N -1 0 395.484 3.372 20 30 GGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(-c3ccc4ccccc4c3)[nH]n2)cn1 ZINC000190371664 1432368835 /nfs/dbraw/zinc/36/88/35/1432368835.db2.gz PGGUOBHWUXJCAT-UHFFFAOYSA-N -1 0 375.413 3.297 20 30 GGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccnn2Cc2ccc(F)cc2)c(Cl)c1 ZINC000190398854 1432373774 /nfs/dbraw/zinc/37/37/74/1432373774.db2.gz VAAXAMGHAPRQOR-UHFFFAOYSA-N -1 0 390.827 3.396 20 30 GGEDRM Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)c1ccc(C#N)c([O-])c1 ZINC000190670327 1432438777 /nfs/dbraw/zinc/43/87/77/1432438777.db2.gz OVUAWUIYNIPMEO-UHFFFAOYSA-N -1 0 377.322 3.117 20 30 GGEDRM COCCn1ccc(C([O-])=C(C#N)c2nc(-c3ccc(OC)cc3)cs2)n1 ZINC000190684473 1432441980 /nfs/dbraw/zinc/44/19/80/1432441980.db2.gz OHWZSHYNTDURJN-HNNXBMFYSA-N -1 0 382.445 3.152 20 30 GGEDRM COCCn1ccc(C([O-])=C(C#N)c2nc(-c3ccc(OC)cc3)cs2)n1 ZINC000190684456 1432442207 /nfs/dbraw/zinc/44/22/07/1432442207.db2.gz OHWZSHYNTDURJN-OAHLLOKOSA-N -1 0 382.445 3.152 20 30 GGEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(Cl)cc1-n1cccn1 ZINC000190839055 1432502592 /nfs/dbraw/zinc/50/25/92/1432502592.db2.gz KERWROJDOAAAMC-UHFFFAOYSA-N -1 0 388.836 3.207 20 30 GGEDRM C[C@@H]1CN(c2ccc(C([O-])=C(C#N)c3cnc4ccccc4n3)cn2)C[C@H](C)O1 ZINC000190884302 1432519052 /nfs/dbraw/zinc/51/90/52/1432519052.db2.gz SNTWKQYZTNCLKC-UXLLHSPISA-N -1 0 387.443 3.128 20 30 GGEDRM COc1ccc(-n2nnc(C([O-])=C(C#N)c3cnc4ccccc4n3)c2C)cc1 ZINC000190979054 1432542316 /nfs/dbraw/zinc/54/23/16/1432542316.db2.gz FILUVIJUAILGCB-MRXNPFEDSA-N -1 0 384.399 3.018 20 30 GGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2nnc(-c3cc4ccccc4o3)s2)cn1 ZINC000191050636 1432557664 /nfs/dbraw/zinc/55/76/64/1432557664.db2.gz ZGCXWDDGERMJIX-UHFFFAOYSA-N -1 0 383.414 3.019 20 30 GGEDRM C=CCN(CC(=O)[O-])C(=O)Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1 ZINC000191274807 1432617582 /nfs/dbraw/zinc/61/75/82/1432617582.db2.gz LQTMLGCFNAWTIM-UHFFFAOYSA-N -1 0 392.411 3.327 20 30 GGEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1cnn(-c2ccc(C)cc2C)c1 ZINC000191897493 1432750473 /nfs/dbraw/zinc/75/04/73/1432750473.db2.gz ZZYDCPDIJUHQIK-UHFFFAOYSA-N -1 0 382.445 3.170 20 30 GGEDRM CCCCCCC[C@@]1(C)NC(=O)N([N-]C(=O)C(F)(F)c2ncccc2C)C1=O ZINC000192667622 1432873381 /nfs/dbraw/zinc/87/33/81/1432873381.db2.gz JPTSUJZVOYOTEE-GOSISDBHSA-N -1 0 396.438 3.184 20 30 GGEDRM C=CCn1c(=O)c2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3C)cc2[n-]c1=S ZINC000192713223 1432878650 /nfs/dbraw/zinc/87/86/50/1432878650.db2.gz IABPEHJBHYSRTG-UHFFFAOYSA-N -1 0 396.428 3.340 20 30 GGEDRM CCCCCCC[C@@]1(C)NC(=O)N([N-]C(=O)c2cc(C)n(C(C)(C)C)n2)C1=O ZINC000192738759 1432882608 /nfs/dbraw/zinc/88/26/08/1432882608.db2.gz HOWAQWUXVVZJCF-HXUWFJFHSA-N -1 0 391.516 3.262 20 30 GGEDRM C[C@@H]1CN(c2ccc(C([O-])=C(C#N)c3nc4ccccc4o3)cn2)C[C@@H](C)O1 ZINC000193275087 1432972725 /nfs/dbraw/zinc/97/27/25/1432972725.db2.gz FIPHNUKGCFISEK-IIAWOOMASA-N -1 0 376.416 3.326 20 30 GGEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1ccc2[nH]c3c(c2c1)C[C@@H](C)CC3 ZINC000193351988 1432984236 /nfs/dbraw/zinc/98/42/36/1432984236.db2.gz KOKJSKYJBNELPG-KSSFIOAISA-N -1 0 381.476 3.158 20 30 GGEDRM COCCCNC(=O)C(C#N)=C([O-])c1cc(C)n([C@H](C)c2ccccc2)c1C ZINC000193361582 1432985386 /nfs/dbraw/zinc/98/53/86/1432985386.db2.gz LJLLKOCEUJWLSY-OXQOHEQNSA-N -1 0 381.476 3.189 20 30 GGEDRM CC(C)OCCCNC(=O)C(C#N)=C([O-])c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000193362667 1432985812 /nfs/dbraw/zinc/98/58/12/1432985812.db2.gz QKCVTXUHHCMRQT-CQSZACIVSA-N -1 0 389.433 3.063 20 30 GGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1cnc2c(cnn2Cc2ccccc2)c1 ZINC000193375710 1432987470 /nfs/dbraw/zinc/98/74/70/1432987470.db2.gz LWKVIDDNPFFWKC-LJQANCHMSA-N -1 0 389.459 3.108 20 30 GGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1nn(-c2ccc(C)cc2)c2c1CCC2 ZINC000193380804 1432988366 /nfs/dbraw/zinc/98/83/66/1432988366.db2.gz HPWNBKJEQUHJKG-SFHVURJKSA-N -1 0 378.476 3.298 20 30 GGEDRM COc1ccc(NC(=O)[C@H](C#N)C(=O)c2cc3ccccc3[nH]c2=O)cc1Cl ZINC000193478290 1433005802 /nfs/dbraw/zinc/00/58/02/1433005802.db2.gz ZQVMZASSVZFYJO-CQSZACIVSA-N -1 0 395.802 3.151 20 30 GGEDRM Cc1oc(C([O-])=C(C#N)c2nc3ccccc3o2)cc1S(=O)(=O)N1CCCC1 ZINC000193537951 1433016693 /nfs/dbraw/zinc/01/66/93/1433016693.db2.gz MPMIMASOLAULGJ-CYBMUJFWSA-N -1 0 399.428 3.004 20 30 GGEDRM Cc1nc(C#N)c(N2CCC(C(=O)Nc3ccc4[n-]c(=S)oc4c3)CC2)o1 ZINC000193557866 1433019403 /nfs/dbraw/zinc/01/94/03/1433019403.db2.gz QSLODTAPPMCZCG-UHFFFAOYSA-N -1 0 383.433 3.140 20 30 GGEDRM N#CCOc1ccccc1C(=O)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000193590586 1433025050 /nfs/dbraw/zinc/02/50/50/1433025050.db2.gz ZEANQPWOKSTCKJ-UHFFFAOYSA-N -1 0 385.228 3.014 20 30 GGEDRM CCn1cc(C([O-])=C(C#N)C(=O)NCCc2ccc(OC)cc2)c2ccccc21 ZINC000193749580 1433051705 /nfs/dbraw/zinc/05/17/05/1433051705.db2.gz RQQBMEMNSSYTBS-LJQANCHMSA-N -1 0 389.455 3.351 20 30 GGEDRM COc1ccc(-n2c(C)cc(C([O-])=C(C#N)C(=O)NC3CCCC3)c2C)cc1 ZINC000193763965 1433054996 /nfs/dbraw/zinc/05/49/96/1433054996.db2.gz HWDHAUONAWUSRW-HXUWFJFHSA-N -1 0 379.460 3.484 20 30 GGEDRM Cc1cccc(-c2nc(CC(=O)[N-]S(=O)(=O)c3cccc(C#N)c3)cs2)c1 ZINC000194004968 1433099425 /nfs/dbraw/zinc/09/94/25/1433099425.db2.gz COZMGNORKSBSNM-UHFFFAOYSA-N -1 0 397.481 3.038 20 30 GGEDRM N#Cc1cccc(S(=O)(=O)[N-]C(=O)c2cc(Cl)ccc2Br)c1 ZINC000194005264 1433099551 /nfs/dbraw/zinc/09/95/51/1433099551.db2.gz YGITWPQYTQGYKH-UHFFFAOYSA-N -1 0 399.653 3.093 20 30 GGEDRM CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000194032083 1433104467 /nfs/dbraw/zinc/10/44/67/1433104467.db2.gz SCYRJVFVZZKAOW-UHFFFAOYSA-N -1 0 375.406 3.283 20 30 GGEDRM C=CCn1c(=O)c2ccc(C(=O)N[C@@H](C#N)C3CCCCC3)cc2[n-]c1=S ZINC000194204872 1433138111 /nfs/dbraw/zinc/13/81/11/1433138111.db2.gz GBCKLNGEMFUNID-KRWDZBQOSA-N -1 0 382.489 3.073 20 30 GGEDRM C=CCn1c(=O)c2ccc(C(=O)NC3(C)Cc4ccccc4C3)cc2[n-]c1=S ZINC000194224411 1433142240 /nfs/dbraw/zinc/14/22/40/1433142240.db2.gz FPMZRIAPVCRDHR-UHFFFAOYSA-N -1 0 391.496 3.159 20 30 GGEDRM CCn1c(C)cc(C(=O)[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)c1C ZINC000194276885 1433154039 /nfs/dbraw/zinc/15/40/39/1433154039.db2.gz WZLLHLCDRZMWQO-UHFFFAOYSA-N -1 0 399.394 3.134 20 30 GGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)F)c(C(F)(F)F)c2)cn1 ZINC000194610743 1433205284 /nfs/dbraw/zinc/20/52/84/1433205284.db2.gz FUECKURDEKAAKL-UHFFFAOYSA-N -1 0 393.293 3.374 20 30 GGEDRM CS(=O)(=O)Cc1cccc(C/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])c1 ZINC000194613949 1433205511 /nfs/dbraw/zinc/20/55/11/1433205511.db2.gz IQRSCWNYIJCXPC-GIJQJNRQSA-N -1 0 382.825 3.118 20 30 GGEDRM C[C@H](CC#N)NC(=O)c1ccc2c(c1)[n-]c(=S)n(CCc1ccccc1)c2=O ZINC000194649206 1433210995 /nfs/dbraw/zinc/21/09/95/1433210995.db2.gz UKDMBHRWSXDLAO-CQSZACIVSA-N -1 0 392.484 3.334 20 30 GGEDRM COc1ccc(-c2nnc([N-]S(=O)(=O)c3ccc(C#N)c(Cl)c3)o2)cc1 ZINC000194780358 1433230382 /nfs/dbraw/zinc/23/03/82/1433230382.db2.gz MJEKZMNFAJHHRB-UHFFFAOYSA-N -1 0 390.808 3.071 20 30 GGEDRM CCCCCCCS(=O)(=O)[N-]c1nc(CN2C[C@@H](C)O[C@@H](C)C2)cs1 ZINC000194788203 1433232595 /nfs/dbraw/zinc/23/25/95/1433232595.db2.gz AXEDYGVWZFEPCU-GASCZTMLSA-N -1 0 389.587 3.464 20 30 GGEDRM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1nnc(Cc2ccc(Cl)cc2)o1 ZINC000194817819 1433239784 /nfs/dbraw/zinc/23/97/84/1433239784.db2.gz KDUNSXDRKWHPFM-UHFFFAOYSA-N -1 0 388.836 3.295 20 30 GGEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1nnc(C[C@H](C)CC(C)(C)C)o1 ZINC000194881585 1433255539 /nfs/dbraw/zinc/25/55/39/1433255539.db2.gz HOKUCKQNQRANKO-LBPRGKRZSA-N -1 0 392.481 3.365 20 30 GGEDRM CCCCCCC[C@]1(C)NC(=O)N([N-]C(=O)c2csc(C3CC3)n2)C1=O ZINC000194946530 1433270519 /nfs/dbraw/zinc/27/05/19/1433270519.db2.gz ZJNAOMDMWNDEIU-SFHVURJKSA-N -1 0 378.498 3.336 20 30 GGEDRM C=CCn1c(=O)c2ccc(C(=O)N[C@@H]3C[C@H]3c3ccc(F)cc3)cc2[n-]c1=S ZINC000194973059 1433275064 /nfs/dbraw/zinc/27/50/64/1433275064.db2.gz NYRSXMIBGUPJRF-FUHWJXTLSA-N -1 0 395.459 3.296 20 30 GGEDRM N#CC(=C([O-])c1csc(C2CC2)n1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000194988649 1433277204 /nfs/dbraw/zinc/27/72/04/1433277204.db2.gz ZUOMRFGMLXXMPN-GFCCVEGCSA-N -1 0 377.433 3.021 20 30 GGEDRM Cc1csc(C(C#N)=C([O-])c2ccc(Br)c(S(C)(=O)=O)c2)n1 ZINC000195049112 1433285329 /nfs/dbraw/zinc/28/53/29/1433285329.db2.gz UDHQTMBEPZQBON-SNVBAGLBSA-N -1 0 399.291 3.108 20 30 GGEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1cccc(-n2nccc2C(F)(F)F)c1 ZINC000195049874 1433285614 /nfs/dbraw/zinc/28/56/14/1433285614.db2.gz BBDQLHTZYGIEOQ-OAHLLOKOSA-N -1 0 390.365 3.272 20 30 GGEDRM Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000195198046 1433305914 /nfs/dbraw/zinc/30/59/14/1433305914.db2.gz FPZHGKCBZNOHNV-UHFFFAOYSA-N -1 0 396.222 3.338 20 30 GGEDRM C=CCn1c(=O)c2ccc(C(=O)NCc3cccc([N+](=O)[O-])c3)cc2[n-]c1=S ZINC000195323145 1433319243 /nfs/dbraw/zinc/31/92/43/1433319243.db2.gz HZWGXQOESWHELA-UHFFFAOYSA-N -1 0 396.428 3.083 20 30 GGEDRM C=CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2OC(F)F)cc1 ZINC000195444938 1433330431 /nfs/dbraw/zinc/33/04/31/1433330431.db2.gz CYRRCNFFJGGODF-UHFFFAOYSA-N -1 0 382.388 3.005 20 30 GGEDRM N#Cc1ccc(S(=O)(=O)Nc2ccc(N3CCc4sccc4C3)cc2)cn1 ZINC000195448268 1433330951 /nfs/dbraw/zinc/33/09/51/1433330951.db2.gz MGDKBGIDHHWIMZ-UHFFFAOYSA-N -1 0 396.497 3.378 20 30 GGEDRM 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CC(C)Oc1ccc(C#N)cc1NC(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1 ZINC000263504840 1434009725 /nfs/dbraw/zinc/00/97/25/1434009725.db2.gz VFUIHAKOVZAILR-VXGBXAGGSA-N -1 0 385.342 3.072 20 30 GGEDRM N#Cc1c(C#N)c(N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)nc2c1CCCCCC2 ZINC000263565349 1434013548 /nfs/dbraw/zinc/01/35/48/1434013548.db2.gz VPRBJEXNLJUAMS-HUUCEWRRSA-N -1 0 392.381 3.183 20 30 GGEDRM C[C@@H](Oc1cccc(/C=C/C(=O)c2ccc(N3CCC(O)CC3)cc2)c1)C(=O)[O-] ZINC000264480383 1434118238 /nfs/dbraw/zinc/11/82/38/1434118238.db2.gz UGYLLGYANRLQHM-ZWIJEDICSA-N -1 0 395.455 3.396 20 30 GGEDRM CCOCCCn1c2ccccc2nc1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000264494478 1434119961 /nfs/dbraw/zinc/11/99/61/1434119961.db2.gz WJLDWZSXKAWKFG-UHFFFAOYSA-N -1 0 384.461 3.135 20 30 GGEDRM CC(=O)N1CCc2ccc(S(=O)(=O)[N-]c3cc(C#N)ccc3OC(C)C)cc21 ZINC000265217965 1434201176 /nfs/dbraw/zinc/20/11/76/1434201176.db2.gz FSSVSXQATOFTPC-UHFFFAOYSA-N -1 0 399.472 3.055 20 30 GGEDRM COc1cc(C#N)ccc1OCCSc1nc(=O)cc([O-])n1C1CCCC1 ZINC000265833565 1434270249 /nfs/dbraw/zinc/27/02/49/1434270249.db2.gz LMDFQGJCBIZLAA-UHFFFAOYSA-N -1 0 387.461 3.115 20 30 GGEDRM COC(=O)c1cc(OC)c(S(=O)(=O)[N-]c2ccc(C(C)(C)C#N)cc2)s1 ZINC000267140670 1434410302 /nfs/dbraw/zinc/41/03/02/1434410302.db2.gz IBSSCLCTXUZING-UHFFFAOYSA-N -1 0 394.474 3.145 20 30 GGEDRM COC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2SC[C@H](C)C#N)c(C)o1 ZINC000269930305 1434687764 /nfs/dbraw/zinc/68/77/64/1434687764.db2.gz CVKGIMGWEDJUNE-LLVKDONJSA-N -1 0 394.474 3.427 20 30 GGEDRM CC(C)Oc1ccc(S(=O)(=O)[N-]c2ncccc2OCCCC#N)cc1 ZINC000271389072 1434821136 /nfs/dbraw/zinc/82/11/36/1434821136.db2.gz FSYZODYSRHCNPB-UHFFFAOYSA-N -1 0 375.450 3.352 20 30 GGEDRM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3ccccc3O[C@H](C)C#N)cc2C[C@H]1C ZINC000272441815 1434896627 /nfs/dbraw/zinc/89/66/27/1434896627.db2.gz LIFMYFPKIOXKMD-ZIAGYGMSSA-N -1 0 399.472 3.076 20 30 GGEDRM N#Cc1cc(F)c(S(=O)(=O)[N-][C@H]2CCO[C@H](c3ccc(F)cc3)C2)c(F)c1 ZINC000273564472 1434997195 /nfs/dbraw/zinc/99/71/95/1434997195.db2.gz 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C=CC1CCN(C(=O)c2cccc(COc3ccc(-c4nn[n-]n4)cc3)c2)CC1 ZINC000735403055 1442183411 /nfs/dbraw/zinc/18/34/11/1442183411.db2.gz OHUMARIRYSFBJX-UHFFFAOYSA-N -1 0 389.459 3.484 20 30 GGEDRM Cc1ccc2c(C)cc(NN=Cc3cnc4ccc(-c5nn[n-]n5)cn34)nc2c1C ZINC000737372923 1442209952 /nfs/dbraw/zinc/20/99/52/1442209952.db2.gz MLRVORRSFGDZPV-UHFFFAOYSA-N -1 0 397.446 3.434 20 30 GGEDRM C=CCn1c(-c2ccco2)nn(CN(C)c2ccccc2-c2nnn[n-]2)c1=S ZINC000823937355 1442232817 /nfs/dbraw/zinc/23/28/17/1442232817.db2.gz UAPWOQLRDOWHNX-UHFFFAOYSA-N -1 0 394.464 3.134 20 30 GGEDRM N#Cc1cc(CN(Cc2ccc(-c3nn[n-]n3)cc2)Cc2cccc(F)c2)ccn1 ZINC000826383928 1442252428 /nfs/dbraw/zinc/25/24/28/1442252428.db2.gz XUFWDLFFUGIZQR-UHFFFAOYSA-N -1 0 399.433 3.475 20 30 GGEDRM Cn1cc(CN=Nc2oc(C(C)(C)C)nc2-c2nn[n-]n2)c(C2CCCCC2)n1 ZINC000826360745 1442258087 /nfs/dbraw/zinc/25/80/87/1442258087.db2.gz WIPUDBWHGISOIU-UHFFFAOYSA-N -1 0 397.487 3.379 20 30 GGEDRM CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000825675139 1442284940 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ZINC000737708933 1446910990 /nfs/dbraw/zinc/91/09/90/1446910990.db2.gz HTUJWZYJZHDBDB-UHFFFAOYSA-N -1 0 396.414 3.054 20 30 GGEDRM C=CCn1c(Sc2ccc(-c3nn[n-]n3)cn2)nnc1-c1ccccc1C ZINC000819765999 1446911147 /nfs/dbraw/zinc/91/11/47/1446911147.db2.gz UETFIBVGPOYXCR-UHFFFAOYSA-N -1 0 376.449 3.166 20 30 GGEDRM C=C[C@@H](C)NC(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1C ZINC000819729168 1446943118 /nfs/dbraw/zinc/94/31/18/1446943118.db2.gz DUIFLNXUIUXDMY-CQSZACIVSA-N -1 0 378.436 3.450 20 30 GGEDRM C#CC[C@@H](OC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)c1ccccn1 ZINC000735375697 1446955096 /nfs/dbraw/zinc/95/50/96/1446955096.db2.gz PCRVEXIBBARLHP-LJQANCHMSA-N -1 0 391.431 3.119 20 30 GGEDRM CCOc1ccc(C=CC(=O)c2c(C)n3c(c2-c2nn[n-]n2)CCC3)cc1OC ZINC000736643305 1446957706 /nfs/dbraw/zinc/95/77/06/1446957706.db2.gz GVFXUUVPKNQYRH-CLFYSBASSA-N -1 0 393.447 3.226 20 30 GGEDRM CC(=NNc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccc(N2CCCC2=O)cc1 ZINC000823958241 1446961399 /nfs/dbraw/zinc/96/13/99/1446961399.db2.gz 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378.428 3.320 20 30 GGEDRM C=CCc1ccc(OCC(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)c(OC)c1 ZINC000653333270 954163974 /nfs/dbraw/zinc/16/39/74/954163974.db2.gz NDVMTGZTZOCEGX-MSOLQXFVSA-N -1 0 381.428 3.232 20 30 GGEDRM CN(CCOCc1ccc(C#N)cc1)C(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001593753765 954430573 /nfs/dbraw/zinc/43/05/73/954430573.db2.gz KAGRGKSGLOIYML-VQTJNVASSA-N -1 0 393.443 3.029 20 30 GGEDRM CN(CCOCc1ccc(C#N)cc1)C(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001593753763 954431286 /nfs/dbraw/zinc/43/12/86/954431286.db2.gz KAGRGKSGLOIYML-UXHICEINSA-N -1 0 393.443 3.029 20 30 GGEDRM CC[C@@H](C#N)Oc1cc(CNC(=O)C2(C(=O)[O-])CCCCCC2)ccc1OC ZINC001589426328 954624640 /nfs/dbraw/zinc/62/46/40/954624640.db2.gz HUCMJHXHSFHDRC-INIZCTEOSA-N -1 0 388.464 3.418 20 30 GGEDRM Cc1oc(-n2cccc2)c(C#N)c1C(=O)NC[C@](C)(C(=O)[O-])c1ccccc1 ZINC001594506818 955364995 /nfs/dbraw/zinc/36/49/95/955364995.db2.gz POOFRCAQHIDZFI-NRFANRHFSA-N -1 0 377.400 3.023 20 30 GGEDRM 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ZINC000013054524 956919534 /nfs/dbraw/zinc/91/95/34/956919534.db2.gz QMHAWWDVAXKVNB-UHFFFAOYSA-N -1 0 393.355 3.423 20 30 GGEDRM N#Cc1ccc([C@@H]2CN(Cc3ccc(N4CCC(C(=O)[O-])CC4)o3)CCO2)cc1 ZINC000904263446 956950906 /nfs/dbraw/zinc/95/09/06/956950906.db2.gz YNPMFBZRZWEOJP-FQEVSTJZSA-N -1 0 395.459 3.026 20 30 GGEDRM COCCN(CCC(=O)[O-])C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 ZINC001594006018 956976495 /nfs/dbraw/zinc/97/64/95/956976495.db2.gz XBYUXROYKQPKKD-IBGZPJMESA-N -1 0 381.432 3.297 20 30 GGEDRM CN(CCC#N)c1ccc(/C=C2\SC(=S)N(CCCC(=O)[O-])C2=O)cc1 ZINC000013343594 957029072 /nfs/dbraw/zinc/02/90/72/957029072.db2.gz MQVILYMTNCPRRL-QINSGFPZSA-N -1 0 389.502 3.102 20 30 GGEDRM Cc1cc(C#N)ccc1Oc1ccc(C(=O)NCC2(C(=O)[O-])CCOCC2)cc1 ZINC001594274023 957701702 /nfs/dbraw/zinc/70/17/02/957701702.db2.gz LNCQDOUNFAUILI-UHFFFAOYSA-N -1 0 394.427 3.270 20 30 GGEDRM Cc1cc(C(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)c(C)n1-c1ccc(C#N)cc1 ZINC001594280716 957738182 /nfs/dbraw/zinc/73/81/82/957738182.db2.gz 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C#C[C@@H](NC(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1)c1ccc(Cl)cc1F ZINC001588386975 957983977 /nfs/dbraw/zinc/98/39/77/957983977.db2.gz WTLJNVUJOWTWNL-YLJYHZDGSA-N -1 0 388.826 3.495 20 30 GGEDRM COc1cc([C@@H](C)NC(=O)[C@](C)(C#N)CC(=O)[O-])ccc1OCCC(C)C ZINC001594053306 958006357 /nfs/dbraw/zinc/00/63/57/958006357.db2.gz XKMCDRCVRTUYKW-VLIAUNLRSA-N -1 0 376.453 3.302 20 30 GGEDRM C#CC[C@]1(C(=O)Nc2ccc(C(=O)[O-])c(C)c2)CCCN1C(=O)OC(C)(C)C ZINC001588391347 958022054 /nfs/dbraw/zinc/02/20/54/958022054.db2.gz FZQLHWZYGVGLJR-OAQYLSRUSA-N -1 0 386.448 3.425 20 30 GGEDRM C#CC[C@]1(C(=O)Nc2ccccc2CC(=O)[O-])CCCN1C(=O)OC(C)(C)C ZINC001588392128 958030314 /nfs/dbraw/zinc/03/03/14/958030314.db2.gz SXABBTZTVKWCPF-OAQYLSRUSA-N -1 0 386.448 3.045 20 30 GGEDRM C#CC[C@@]1(C(=O)Nc2ccccc2CC(=O)[O-])CCCN1C(=O)OC(C)(C)C ZINC001588392126 958030795 /nfs/dbraw/zinc/03/07/95/958030795.db2.gz SXABBTZTVKWCPF-NRFANRHFSA-N -1 0 386.448 3.045 20 30 GGEDRM C#CCN(CC(=O)[O-])C(=O)[C@H](Cc1cccc(Br)c1)CC(C)C ZINC001588397338 958053965 /nfs/dbraw/zinc/05/39/65/958053965.db2.gz FGJOIJXZJHIPQQ-HNNXBMFYSA-N -1 0 380.282 3.200 20 30 GGEDRM C#CCN(CC(=O)[O-])C(=O)[C@@H](Cc1cccc(Br)c1)CC(C)C ZINC001588397339 958054947 /nfs/dbraw/zinc/05/49/47/958054947.db2.gz FGJOIJXZJHIPQQ-OAHLLOKOSA-N -1 0 380.282 3.200 20 30 GGEDRM Cc1cc(NC(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)ccc1C(=O)[O-] ZINC001594317700 958087083 /nfs/dbraw/zinc/08/70/83/958087083.db2.gz QKNWHELCIBMHBL-MRXNPFEDSA-N -1 0 379.420 3.068 20 30 GGEDRM C#CCN(CC(=O)[O-])C(=O)NCC1(c2cccc(C(F)(F)F)c2)CCCC1 ZINC001588408491 958112031 /nfs/dbraw/zinc/11/20/31/958112031.db2.gz PNMNPDWETLBMJZ-UHFFFAOYSA-N -1 0 382.382 3.247 20 30 GGEDRM C#CCN(CC(=O)[O-])C(=O)N[C@H](Cc1cc(C)cc(C)c1)c1cccc(OC)c1 ZINC001588410342 958138846 /nfs/dbraw/zinc/13/88/46/958138846.db2.gz SVDBRTDQVOWHPC-OAQYLSRUSA-N -1 0 394.471 3.325 20 30 GGEDRM C#CCN(CC(=O)[O-])C(=O)Nc1ccnc2ccc(Oc3ccccc3)cc21 ZINC001588412661 958152222 /nfs/dbraw/zinc/15/22/22/958152222.db2.gz HJPQOOMDJSFMEX-UHFFFAOYSA-N -1 0 375.384 3.001 20 30 GGEDRM C#CCN(CC(=O)[O-])C(=O)Nc1ccc(Sc2nc(C)cs2)cc1C ZINC001588412714 958153110 /nfs/dbraw/zinc/15/31/10/958153110.db2.gz IJHRHRKEUIBBFR-UHFFFAOYSA-N -1 0 375.475 3.463 20 30 GGEDRM C#CCN(CC(=O)[O-])C(=O)Nc1ccc(N(C)C(=O)c2ccc(Cl)cc2)cc1 ZINC001588413086 958156638 /nfs/dbraw/zinc/15/66/38/958156638.db2.gz RCXHYZFRMFUNHM-UHFFFAOYSA-N -1 0 399.834 3.168 20 30 GGEDRM C#CCN(CC(=O)[O-])C(=O)c1ccc(-c2cccc(OC(F)(F)F)c2)s1 ZINC001588416367 958163602 /nfs/dbraw/zinc/16/36/02/958163602.db2.gz LXFSEPMHUKLPQZ-UHFFFAOYSA-N -1 0 383.347 3.474 20 30 GGEDRM C#CCN(CC(=O)[O-])C(=O)c1cc(-c2cc(C)oc2C)nc2c1cnn2C(C)C ZINC001588417478 958174487 /nfs/dbraw/zinc/17/44/87/958174487.db2.gz QGRMQYNAFUWZFK-UHFFFAOYSA-N -1 0 394.431 3.049 20 30 GGEDRM C#CCN(CC(=O)[O-])C(=O)c1cc(-c2ccc(Cl)cc2)nn1-c1ccccc1 ZINC001588417623 958177865 /nfs/dbraw/zinc/17/78/65/958177865.db2.gz ZTDQTPJSLXHNST-UHFFFAOYSA-N -1 0 393.830 3.353 20 30 GGEDRM C#CCN(CC(=O)[O-])C(=O)c1ccc(Oc2cccc(Br)c2)cc1 ZINC001588419046 958191727 /nfs/dbraw/zinc/19/17/27/958191727.db2.gz NQMOERSEAWFDRG-UHFFFAOYSA-N -1 0 388.217 3.401 20 30 GGEDRM Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H]1CO[C@@H](CCC(=O)[O-])C1 ZINC001594328592 958197029 /nfs/dbraw/zinc/19/70/29/958197029.db2.gz XJTACMOTDCWOBR-CVEARBPZSA-N -1 0 395.415 3.262 20 30 GGEDRM C#CCN(CC(=O)[O-])C[C@H](O)c1ccc(-c2ccc(Br)cc2)cc1 ZINC001588424865 958221515 /nfs/dbraw/zinc/22/15/15/958221515.db2.gz ZMRWMZFWHGCDIR-SFHVURJKSA-N -1 0 388.261 3.169 20 30 GGEDRM Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)cc1C ZINC001594337575 958277856 /nfs/dbraw/zinc/27/78/56/958277856.db2.gz LKXVOBIBOSQVIJ-FUHWJXTLSA-N -1 0 394.475 3.263 20 30 GGEDRM N#Cc1ccc(CSCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cc1 ZINC000096749545 958340392 /nfs/dbraw/zinc/34/03/92/958340392.db2.gz CNWJTQYBMSCFAG-IBGZPJMESA-N -1 0 393.468 3.085 20 30 GGEDRM C=CC1(CC(=O)Nc2cccc(CCC(=O)[O-])c2)CN(C(=O)OC(C)(C)C)C1 ZINC001588452102 958419115 /nfs/dbraw/zinc/41/91/15/958419115.db2.gz INUMOKLRNQKWBU-UHFFFAOYSA-N -1 0 388.464 3.456 20 30 GGEDRM C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001588457802 958453947 /nfs/dbraw/zinc/45/39/47/958453947.db2.gz FFWOHKURRDDUAX-JKSUJKDBSA-N -1 0 382.501 3.339 20 30 GGEDRM C#C[C@H](NC(=O)N1CCC[C@@](CC)(C(=O)[O-])C1)c1ccc(Br)cc1 ZINC001573317786 958455728 /nfs/dbraw/zinc/45/57/28/958455728.db2.gz GESMJHYVOWSGCY-MAUKXSAKSA-N -1 0 393.281 3.410 20 30 GGEDRM C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001588457906 958455747 /nfs/dbraw/zinc/45/57/47/958455747.db2.gz ICNJHOUCCALNNP-CAOSSQGBSA-N -1 0 396.528 3.488 20 30 GGEDRM C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001588457982 958457025 /nfs/dbraw/zinc/45/70/25/958457025.db2.gz ICNJHOUCCALNNP-QXSJWSMHSA-N -1 0 396.528 3.488 20 30 GGEDRM C=CC[C@]1(C(=O)Nc2ccnc(C(=O)[O-])c2)CCCN1C(=O)OC(C)(C)C ZINC001588458142 958458773 /nfs/dbraw/zinc/45/87/73/958458773.db2.gz QZKZUEGIJPBFAO-LJQANCHMSA-N -1 0 375.425 3.064 20 30 GGEDRM C=CC[C@]1(C(=O)N2CCC[C@@H](CC(=O)[O-])C2)CCCN1C(=O)OC(C)(C)C ZINC001588458750 958465091 /nfs/dbraw/zinc/46/50/91/958465091.db2.gz YREOLICPEMTKOM-MGPUTAFESA-N -1 0 380.485 3.046 20 30 GGEDRM C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC001588458851 958467075 /nfs/dbraw/zinc/46/70/75/958467075.db2.gz VOWNKDOKUXFRPZ-IAGOWNOFSA-N -1 0 390.480 3.048 20 30 GGEDRM C=CCCC[C@@H](C(=O)N1C[C@@H](C(=O)[O-])C2(CC(C(=O)OC)C2)C1)c1ccccc1 ZINC001588458893 958467277 /nfs/dbraw/zinc/46/72/77/958467277.db2.gz XAYFBWZCOGGHQN-FSTYKVKCSA-N -1 0 399.487 3.239 20 30 GGEDRM C=CCCC[C@H](C(=O)N1C[C@H](C(=O)[O-])C2(CC(C(=O)OC)C2)C1)c1ccccc1 ZINC001588458894 958467588 /nfs/dbraw/zinc/46/75/88/958467588.db2.gz XAYFBWZCOGGHQN-SGIJDJSVSA-N -1 0 399.487 3.239 20 30 GGEDRM C=CCCC[C@@H](C(=O)N1C[C@H](C(=O)[O-])C2(CC(C(=O)OC)C2)C1)c1ccccc1 ZINC001588458892 958467632 /nfs/dbraw/zinc/46/76/32/958467632.db2.gz XAYFBWZCOGGHQN-CXVUKDAWSA-N -1 0 399.487 3.239 20 30 GGEDRM C=CCN(C(=O)/C=C\c1ccc(C(=O)[O-])o1)[C@@H](Cc1ccccc1)C(=O)OCC ZINC001588460863 958479727 /nfs/dbraw/zinc/47/97/27/958479727.db2.gz XORRQUSYZRGZNY-LVWOJMJRSA-N -1 0 397.427 3.180 20 30 GGEDRM C=CCN(Cc1cc(Br)ccc1F)C(=O)NC[C@@H](CC)C(=O)[O-] ZINC001573328213 958496660 /nfs/dbraw/zinc/49/66/60/958496660.db2.gz CVOXYQKRCUAMBK-LLVKDONJSA-N -1 0 387.249 3.397 20 30 GGEDRM C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C(=O)[O-])c1cccc(C)c1 ZINC001573328338 958497866 /nfs/dbraw/zinc/49/78/66/958497866.db2.gz GUSGEYROVBOYOL-SJORKVTESA-N -1 0 390.480 3.487 20 30 GGEDRM C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)c1coc(/C=C/C(=O)[O-])c1 ZINC001573337217 958521327 /nfs/dbraw/zinc/52/13/27/958521327.db2.gz LZZQPNLCZLOPGA-VOTSOKGWSA-N -1 0 386.356 3.120 20 30 GGEDRM C=CCOc1ccccc1CN(C(=O)[C@@H](C)C(=O)[O-])c1ccc2c(c1)OCCO2 ZINC001573337954 958527345 /nfs/dbraw/zinc/52/73/45/958527345.db2.gz ZEABXOIMMCJPEX-OAHLLOKOSA-N -1 0 397.427 3.277 20 30 GGEDRM C=CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@H](C(=O)[O-])C1 ZINC001588470737 958530961 /nfs/dbraw/zinc/53/09/61/958530961.db2.gz TXVGILMCCHJHQQ-OLZOCXBDSA-N -1 0 376.844 3.168 20 30 GGEDRM C=CCn1c([C@H]2CCOC2)nnc1N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC001588472586 958545466 /nfs/dbraw/zinc/54/54/66/958545466.db2.gz PKPSTZHDDCXASU-INIZCTEOSA-N -1 0 382.464 3.050 20 30 GGEDRM C=CCn1c([C@@H]2CCOC2)nnc1N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC001588472588 958545669 /nfs/dbraw/zinc/54/56/69/958545669.db2.gz PKPSTZHDDCXASU-MRXNPFEDSA-N -1 0 382.464 3.050 20 30 GGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)NCC1(c2cccc(Br)c2)CCCC1 ZINC001573363537 958607643 /nfs/dbraw/zinc/60/76/43/958607643.db2.gz JSLGFIWWUSGVJM-QGZVFWFLSA-N -1 0 393.281 3.382 20 30 GGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(OC(F)(F)F)cc1Br ZINC001573364166 958613079 /nfs/dbraw/zinc/61/30/79/958613079.db2.gz MZEYCKDZXRDGDR-GFCCVEGCSA-N -1 0 395.131 3.291 20 30 GGEDRM Cc1c(C)n(-c2cccc(C)c2)c2ncnc(NC(=O)[C@](C)(C#N)CC(=O)[O-])c12 ZINC001594386182 958671668 /nfs/dbraw/zinc/67/16/68/958671668.db2.gz FLCWIFLJZOIALX-NRFANRHFSA-N -1 0 391.431 3.289 20 30 GGEDRM CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC001573436948 958805894 /nfs/dbraw/zinc/80/58/94/958805894.db2.gz FJJYUBGRAJWLDC-JKSUJKDBSA-N -1 0 395.500 3.210 20 30 GGEDRM Cc1cccc(N(CCC#N)C(=O)CN[C@H](C(=O)[O-])c2ccc(F)cc2)c1C ZINC001594404772 958893880 /nfs/dbraw/zinc/89/38/80/958893880.db2.gz HVKDKZSSBGNUMP-FQEVSTJZSA-N -1 0 383.423 3.105 20 30 GGEDRM CC(C)(C)c1csc(CC2CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])CC2)n1 ZINC001588534545 958922670 /nfs/dbraw/zinc/92/26/70/958922670.db2.gz JRSYISHTZRGLPB-IBGZPJMESA-N -1 0 377.510 3.226 20 30 GGEDRM CC(C)(C)c1csc(CC2CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])CC2)n1 ZINC001588534546 958923188 /nfs/dbraw/zinc/92/31/88/958923188.db2.gz JRSYISHTZRGLPB-LJQANCHMSA-N -1 0 377.510 3.226 20 30 GGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)N1CC=C(c2cccc(Br)c2)CC1 ZINC001588535071 958926667 /nfs/dbraw/zinc/92/66/67/958926667.db2.gz MHSOHOMKBYJQAI-KRWDZBQOSA-N -1 0 377.238 3.069 20 30 GGEDRM CC(C)(C)c1csc(NC(=O)N(CCC(=O)[O-])C2CCOCC2)c1C#N ZINC001573463546 958927549 /nfs/dbraw/zinc/92/75/49/958927549.db2.gz GQXRXSHPAJVNPQ-UHFFFAOYSA-N -1 0 379.482 3.405 20 30 GGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001588535447 958930165 /nfs/dbraw/zinc/93/01/65/958930165.db2.gz OFYVRXIEVMFIFT-QGZVFWFLSA-N -1 0 384.354 3.296 20 30 GGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001588535443 958930639 /nfs/dbraw/zinc/93/06/39/958930639.db2.gz OFYVRXIEVMFIFT-KRWDZBQOSA-N -1 0 384.354 3.296 20 30 GGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N[C@H]1CCCSc2ccc(Br)cc21 ZINC001588537900 958934981 /nfs/dbraw/zinc/93/49/81/958934981.db2.gz AGASSTGBQKATNN-BLLLJJGKSA-N -1 0 397.294 3.497 20 30 GGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1CCCSc2ccc(Br)cc21 ZINC001588537907 958935438 /nfs/dbraw/zinc/93/54/38/958935438.db2.gz AGASSTGBQKATNN-MLGOLLRUSA-N -1 0 397.294 3.497 20 30 GGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1nc2c(cccc2OCC(F)(F)F)s1 ZINC001588540254 958960741 /nfs/dbraw/zinc/96/07/41/958960741.db2.gz UJIZGFFZKJJOSN-AWEZNQCLSA-N -1 0 387.339 3.180 20 30 GGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(OC(F)(F)F)c(Br)c1 ZINC001588541807 958965443 /nfs/dbraw/zinc/96/54/43/958965443.db2.gz MQKPNMFIUPJLIA-LBPRGKRZSA-N -1 0 395.131 3.291 20 30 GGEDRM C[C@H](C#N)CSc1ccccc1NC(=O)CN1[C@H](C)CCC[C@@H]1C(=O)[O-] ZINC001588543688 958983238 /nfs/dbraw/zinc/98/32/38/958983238.db2.gz QEBPNPWQDRTMLW-IIAWOOMASA-N -1 0 375.494 3.204 20 30 GGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)NCC1(c2ccc(Br)cc2)CCCC1 ZINC001588557228 959065814 /nfs/dbraw/zinc/06/58/14/959065814.db2.gz HHKZNIFMKIHDQJ-KRWDZBQOSA-N -1 0 393.281 3.382 20 30 GGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)NCC1(c2cccc(OC(F)(F)F)c2)CCC1 ZINC001588557707 959071688 /nfs/dbraw/zinc/07/16/88/959071688.db2.gz KDSHOTPMLSNVOJ-MRXNPFEDSA-N -1 0 384.354 3.128 20 30 GGEDRM C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCC[C@H](CCC(=O)[O-])C1 ZINC001588563329 959110565 /nfs/dbraw/zinc/11/05/65/959110565.db2.gz QHPLZRQUEGVLNI-QWHCGFSZSA-N -1 0 375.494 3.012 20 30 GGEDRM C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001588563328 959110747 /nfs/dbraw/zinc/11/07/47/959110747.db2.gz QHPLZRQUEGVLNI-OLZOCXBDSA-N -1 0 375.494 3.012 20 30 GGEDRM C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001588563330 959111045 /nfs/dbraw/zinc/11/10/45/959111045.db2.gz QHPLZRQUEGVLNI-STQMWFEESA-N -1 0 375.494 3.012 20 30 GGEDRM CC(C)C[C@H](CNC(=O)c1cccc(CNc2ncccc2C#N)c1)CC(=O)[O-] ZINC001573536447 959170398 /nfs/dbraw/zinc/17/03/98/959170398.db2.gz ARPLWZBCXXRLQA-KRWDZBQOSA-N -1 0 394.475 3.432 20 30 GGEDRM O=C([O-])c1ccccc1CNC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC001605753042 972415780 /nfs/dbraw/zinc/41/57/80/972415780.db2.gz WOHKULMWGREQBE-UHFFFAOYSA-N -1 0 376.334 3.255 20 30 GGEDRM C[C@H](CC#N)Sc1ccccc1NC(=O)CN1C[C@H](C(=O)[O-])CC[C@@H]1C ZINC001573577642 959338573 /nfs/dbraw/zinc/33/85/73/959338573.db2.gz XRPJHIPPAZNIIF-RRFJBIMHSA-N -1 0 375.494 3.204 20 30 GGEDRM C=CCN(Cc1cccc(C#N)c1)S(=O)(=O)c1cc(C(=O)[O-])c(C)cc1F ZINC000184962393 959481086 /nfs/dbraw/zinc/48/10/86/959481086.db2.gz MCCZWSYIQKYURI-UHFFFAOYSA-N -1 0 388.420 3.081 20 30 GGEDRM C=C(C)[C@@H](NS(=O)(=O)c1c(C)oc(C)c1C(=O)[O-])c1ccc(F)c(F)c1 ZINC000187123639 959502867 /nfs/dbraw/zinc/50/28/67/959502867.db2.gz MNUSIUUXTHAMKY-OAHLLOKOSA-N -1 0 385.388 3.469 20 30 GGEDRM C=C(C)[C@@H](NS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1)c1ccc(F)c(F)c1 ZINC000187123867 959503217 /nfs/dbraw/zinc/50/32/17/959503217.db2.gz RCDUNLRPTBHRFX-MRXNPFEDSA-N -1 0 385.363 3.398 20 30 GGEDRM C=CCSCCNC(=O)c1ccc(-n2nc(C)c(CCC(=O)[O-])c2C)cc1 ZINC000191578106 959583033 /nfs/dbraw/zinc/58/30/33/959583033.db2.gz KVYRAOFIIJZLNL-UHFFFAOYSA-N -1 0 387.505 3.155 20 30 GGEDRM Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)/C=C/c2ccc(C(=O)[O-])o2)c1C ZINC001594476637 959603333 /nfs/dbraw/zinc/60/33/33/959603333.db2.gz WHHPUAOKQAIIJG-CSKARUKUSA-N -1 0 376.372 3.304 20 30 GGEDRM Cc1c(C)n(C2CCCCC2)c(NC(=O)CN(CC(=O)[O-])C2CCC2)c1C#N ZINC001594252581 959621786 /nfs/dbraw/zinc/62/17/86/959621786.db2.gz BOPOHHBWNQKVBM-UHFFFAOYSA-N -1 0 386.496 3.359 20 30 GGEDRM Cc1c(C)n(-c2ccccc2)c(NC(=O)CN2[C@H](C)CCC[C@@H]2C(=O)[O-])c1C#N ZINC001594253040 959627854 /nfs/dbraw/zinc/62/78/54/959627854.db2.gz LSFTUUZXNFGNAY-AUUYWEPGSA-N -1 0 394.475 3.232 20 30 GGEDRM Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)CSCCC(=O)[O-])c1C#N ZINC001594253077 959629514 /nfs/dbraw/zinc/62/95/14/959629514.db2.gz NWBGFOGFGQZCPY-UHFFFAOYSA-N -1 0 375.425 3.251 20 30 GGEDRM O=C([O-])c1ccc(/C=C\C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 ZINC000213176152 959720228 /nfs/dbraw/zinc/72/02/28/959720228.db2.gz GTELGJIVALTESK-MLPAPPSSSA-N -1 0 399.468 3.456 20 30 GGEDRM CC(C)(C)CC[C@H](NC(=O)CCC(=O)N(CCC#N)c1ccccc1)C(=O)[O-] ZINC001588650613 959762630 /nfs/dbraw/zinc/76/26/30/959762630.db2.gz NGFSGVUGWBPCGZ-KRWDZBQOSA-N -1 0 387.480 3.109 20 30 GGEDRM CC(C)(C)CC[C@@H](NC(=O)CCC(=O)N(CCC#N)c1ccccc1)C(=O)[O-] ZINC001588650614 959763025 /nfs/dbraw/zinc/76/30/25/959763025.db2.gz NGFSGVUGWBPCGZ-QGZVFWFLSA-N -1 0 387.480 3.109 20 30 GGEDRM CC(C)(C)CC[C@H](NC(=O)Nc1ccc(Br)c(C#N)n1)C(=O)[O-] ZINC001588651021 959768298 /nfs/dbraw/zinc/76/82/98/959768298.db2.gz WDVQQEVZZIZOFF-JTQLQIEISA-N -1 0 383.246 3.117 20 30 GGEDRM C[C@H]1CCCN(C(=O)c2cccc(COc3ccccc3C#N)c2)[C@@H]1C(=O)[O-] ZINC001573726079 960406910 /nfs/dbraw/zinc/40/69/10/960406910.db2.gz JQVFZLHJYRXHJB-YWZLYKJASA-N -1 0 378.428 3.463 20 30 GGEDRM C[C@@H]1CCCN(C(=O)c2cccc(COc3ccccc3C#N)c2)[C@@H]1C(=O)[O-] ZINC001573726077 960407174 /nfs/dbraw/zinc/40/71/74/960407174.db2.gz JQVFZLHJYRXHJB-QRWLVFNGSA-N -1 0 378.428 3.463 20 30 GGEDRM C[C@@H]1CCCN(C(=O)c2cccc(COc3ccccc3C#N)c2)[C@H]1C(=O)[O-] ZINC001573726070 960407379 /nfs/dbraw/zinc/40/73/79/960407379.db2.gz JQVFZLHJYRXHJB-FOIQADDNSA-N -1 0 378.428 3.463 20 30 GGEDRM COc1ccccc1N=C1SCCN1C(=O)c1cccc(OCC(=O)[O-])c1 ZINC001574239511 960459434 /nfs/dbraw/zinc/45/94/34/960459434.db2.gz WRDMXRDTLIYBLH-UHFFFAOYSA-N -1 0 386.429 3.035 20 30 GGEDRM C[C@H]1CN(C(=O)c2ccc(OCc3ccccc3C#N)cc2)CC[C@H]1C(=O)[O-] ZINC001573749997 960547805 /nfs/dbraw/zinc/54/78/05/960547805.db2.gz YIHBFGWUYGAFOR-MGPUTAFESA-N -1 0 378.428 3.320 20 30 GGEDRM Cc1c(Cl)cccc1N=C1SCCN1C(=O)[C@@H]1CO[C@H](CCC(=O)[O-])C1 ZINC001574298028 960707968 /nfs/dbraw/zinc/70/79/68/960707968.db2.gz VVLLBASMVDPRCR-QWHCGFSZSA-N -1 0 396.896 3.481 20 30 GGEDRM Cc1c(C)n(-c2ccccc2)c(NC(=O)CN2CCC[C@@H](C)[C@H]2C(=O)[O-])c1C#N ZINC001574298545 960712943 /nfs/dbraw/zinc/71/29/43/960712943.db2.gz FYXXRXSSWJDNJD-VLIAUNLRSA-N -1 0 394.475 3.089 20 30 GGEDRM Cc1c(C)n(-c2ccccc2)c(NC(=O)CN2CCC[C@@H](C)[C@@H]2C(=O)[O-])c1C#N ZINC001574298542 960712977 /nfs/dbraw/zinc/71/29/77/960712977.db2.gz FYXXRXSSWJDNJD-JLTOFOAXSA-N -1 0 394.475 3.089 20 30 GGEDRM CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC001588706966 960857020 /nfs/dbraw/zinc/85/70/20/960857020.db2.gz VPABPHXQOFNPCB-OAHLLOKOSA-N -1 0 375.425 3.301 20 30 GGEDRM Cc1cc(N(CCC#N)C(=O)CN2CCC[C@H](C)[C@@H]2C(=O)[O-])ccc1Cl ZINC001574332540 960893201 /nfs/dbraw/zinc/89/32/01/960893201.db2.gz AIBNVQKORZPHAN-SCLBCKFNSA-N -1 0 377.872 3.080 20 30 GGEDRM CC(C)(C)OC(=O)Nc1ccc2c(c1)CC[C@@H]2NC(=O)[C@@](C)(C#N)CC(=O)[O-] ZINC001588726237 961052567 /nfs/dbraw/zinc/05/25/67/961052567.db2.gz QBJCHRXJHRSUKJ-MGPUTAFESA-N -1 0 387.436 3.142 20 30 GGEDRM O=C([O-])c1cccc(C#Cc2cccc(NC(=O)c3ccc4nncn4c3)c2)c1 ZINC000238062286 961090600 /nfs/dbraw/zinc/09/06/00/961090600.db2.gz XDKOWMNHAUIMHP-UHFFFAOYSA-N -1 0 382.379 3.080 20 30 GGEDRM CCCOc1ccccc1Oc1ncccc1CNC(=O)[C@](C)(C#N)CC(=O)[O-] ZINC001573862407 961178223 /nfs/dbraw/zinc/17/82/23/961178223.db2.gz REKXXIXCZWLPFU-NRFANRHFSA-N -1 0 397.431 3.283 20 30 GGEDRM CCOc1ccc(NC(=O)c2ccc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])cc2)cc1 ZINC001573919492 961517721 /nfs/dbraw/zinc/51/77/21/961517721.db2.gz BNCUXWYWHPPSCP-OAQYLSRUSA-N -1 0 395.415 3.281 20 30 GGEDRM N#C[C@@H](NC(=O)c1coc(/C=C/C(=O)[O-])c1)c1ccccc1Br ZINC001574473792 961633677 /nfs/dbraw/zinc/63/36/77/961633677.db2.gz CSMLJZWCWYAATR-VBROQKIQSA-N -1 0 375.178 3.135 20 30 GGEDRM N#C[C@@H](NC(=O)/C=C/c1ccc(C(=O)[O-])o1)c1ccc(Br)cc1 ZINC001574473797 961634313 /nfs/dbraw/zinc/63/43/13/961634313.db2.gz CUANOHXFDXDANL-STMXVASLSA-N -1 0 375.178 3.135 20 30 GGEDRM N#C[C@H](NC(=O)c1coc(/C=C/C(=O)[O-])c1)c1cccc(Br)c1 ZINC001574473969 961635762 /nfs/dbraw/zinc/63/57/62/961635762.db2.gz GYYROJITAPEDPE-NNTXTVRGSA-N -1 0 375.178 3.135 20 30 GGEDRM N#Cc1c2c(sc1NC(=O)C1=NN(c3ccccc3)[C@H](C(=O)[O-])C1)CCCC2 ZINC001574479082 961647262 /nfs/dbraw/zinc/64/72/62/961647262.db2.gz CNHYXHDGGVSGGF-INIZCTEOSA-N -1 0 394.456 3.157 20 30 GGEDRM N#Cc1c(NC(=O)CN2CCC[C@H](CCC(=O)[O-])C2)sc2c1CCCCC2 ZINC001574479150 961648579 /nfs/dbraw/zinc/64/85/79/961648579.db2.gz FDZGMHGTVMVZTI-CQSZACIVSA-N -1 0 389.521 3.404 20 30 GGEDRM N#CCCCN1C(=O)CCc2cc(NC(=O)/C=C/c3ccc(C(=O)[O-])o3)ccc21 ZINC001574480239 961660824 /nfs/dbraw/zinc/66/08/24/961660824.db2.gz CRJMQZTWSPYAQU-RMKNXTFCSA-N -1 0 393.399 3.213 20 30 GGEDRM N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)c2ccc(OCC(=O)[O-])cc2)n1 ZINC001574485862 961679253 /nfs/dbraw/zinc/67/92/53/961679253.db2.gz LJWJKZSBYHUVAR-UHFFFAOYSA-N -1 0 396.790 3.113 20 30 GGEDRM N#Cc1ccc(CC(=O)N2CC[C@H](C(=O)[O-])c3cc(Br)ccc32)cc1 ZINC001574486331 961683377 /nfs/dbraw/zinc/68/33/77/961683377.db2.gz UPUMACRAVIPYDM-HNNXBMFYSA-N -1 0 399.244 3.468 20 30 GGEDRM N#Cc1ccc(N2CCC(C(=O)N3CCCC[C@H]3CCC(=O)[O-])CC2)c(F)c1 ZINC001574487826 961691919 /nfs/dbraw/zinc/69/19/19/961691919.db2.gz JDNWNZXFWZLVNU-KRWDZBQOSA-N -1 0 387.455 3.160 20 30 GGEDRM N#Cc1ccccc1CSCCNC(=O)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001574488577 961697392 /nfs/dbraw/zinc/69/73/92/961697392.db2.gz BTDGMVDOSXJDKD-OALUTQOASA-N -1 0 395.484 3.404 20 30 GGEDRM N#Cc1cccc(COc2ccc(NC(=O)[C@H]3CO[C@H](CCC(=O)[O-])C3)cc2)c1 ZINC001574489556 961704022 /nfs/dbraw/zinc/70/40/22/961704022.db2.gz JMSVUPJQDPDQSF-YLJYHZDGSA-N -1 0 394.427 3.346 20 30 GGEDRM N#Cc1cccc(COc2ccc(NC(=O)[C@@H]3CO[C@H](CCC(=O)[O-])C3)cc2)c1 ZINC001574489545 961704701 /nfs/dbraw/zinc/70/47/01/961704701.db2.gz JMSVUPJQDPDQSF-FXAWDEMLSA-N -1 0 394.427 3.346 20 30 GGEDRM N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccc(O)c(C(=O)[O-])c2)o1 ZINC001574490269 961712916 /nfs/dbraw/zinc/71/29/16/961712916.db2.gz ZJJDZRGERBGUEA-UHFFFAOYSA-N -1 0 378.340 3.386 20 30 GGEDRM N#Cc1sc2ccccc2c1S(=O)(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC001574492907 961714931 /nfs/dbraw/zinc/71/49/31/961714931.db2.gz FGEYOJMXMWMCJC-QGZVFWFLSA-N -1 0 398.465 3.146 20 30 GGEDRM C=CCOc1ccc(C(=O)NC[C@@H](Cc2cccc(C)c2)C(=O)[O-])cc1OC ZINC000262529828 961761865 /nfs/dbraw/zinc/76/18/65/961761865.db2.gz SIBPXAKUGMWNIE-GOSISDBHSA-N -1 0 383.444 3.242 20 30 GGEDRM C=CCOC[C@@H](NC(=O)C1(c2cc(C(F)(F)F)ccc2Cl)CC1)C(=O)[O-] ZINC000262871767 961943860 /nfs/dbraw/zinc/94/38/60/961943860.db2.gz BJRNLTJJSJARSC-CYBMUJFWSA-N -1 0 391.773 3.162 20 30 GGEDRM C=CCOc1cc(OC)ccc1C(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC000262895925 961970780 /nfs/dbraw/zinc/97/07/80/961970780.db2.gz LVCKTCSGUDZGPY-RBUKOAKNSA-N -1 0 381.428 3.200 20 30 GGEDRM C=CCc1ccc(OCC(=O)N2C[C@@H](C(=O)[O-])[C@@H](c3ccccc3)C2)c(OC)c1 ZINC000262955901 962040892 /nfs/dbraw/zinc/04/08/92/962040892.db2.gz RCGNTJZDBMNOKY-RTBURBONSA-N -1 0 395.455 3.129 20 30 GGEDRM N#Cc1ccc(CSCC(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)cc1 ZINC000263014558 962118665 /nfs/dbraw/zinc/11/86/65/962118665.db2.gz XOOQAKGNPWPIRJ-RBUKOAKNSA-N -1 0 380.469 3.118 20 30 GGEDRM C=CCOc1cccnc1C(=O)N1CCC(Cc2ccccc2C(=O)[O-])CC1 ZINC000263022427 962128955 /nfs/dbraw/zinc/12/89/55/962128955.db2.gz NYBIJTXMXSXTMB-UHFFFAOYSA-N -1 0 380.444 3.440 20 30 GGEDRM C=CCOc1ccc(C(=O)N2C[C@@H](C(=O)[O-])[C@@H](c3ccccc3)C2)cc1OC ZINC000263024770 962133464 /nfs/dbraw/zinc/13/34/64/962133464.db2.gz YHIFAGXNEVLNER-QZTJIDSGSA-N -1 0 381.428 3.200 20 30 GGEDRM C=CCOc1ccc(Br)cc1NC(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000263036185 962155251 /nfs/dbraw/zinc/15/52/51/962155251.db2.gz BUPRCBOPKVUJSY-NSHDSACASA-N -1 0 383.242 3.342 20 30 GGEDRM O=C([O-])[C@@H](Cc1ccncc1)NC(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC001574602110 962168498 /nfs/dbraw/zinc/16/84/98/962168498.db2.gz QQMRZJBQARPAHO-OAQYLSRUSA-N -1 0 385.423 3.299 20 30 GGEDRM O=C([O-])[C@H](Cc1ccncc1)NC(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC001574602109 962168813 /nfs/dbraw/zinc/16/88/13/962168813.db2.gz QQMRZJBQARPAHO-NRFANRHFSA-N -1 0 385.423 3.299 20 30 GGEDRM C=CCOc1cc(OC)ccc1C(=O)NC[C@](CC)(C(=O)[O-])c1ccccc1 ZINC000263068893 962210591 /nfs/dbraw/zinc/21/05/91/962210591.db2.gz SURXQTNNXVLHTD-QFIPXVFZSA-N -1 0 383.444 3.422 20 30 GGEDRM CC(C)C[C@H](CNC(=O)Nc1cnn(Cc2ccc(C#N)cc2)c1)CC(=O)[O-] ZINC001588894105 962218686 /nfs/dbraw/zinc/21/86/86/962218686.db2.gz BGDMEYXUEPESAL-KRWDZBQOSA-N -1 0 383.452 3.062 20 30 GGEDRM CCCc1c(NC(=O)N2CC[C@@](C)(C(=O)[O-])C2)cnn1-c1cccc(C#N)c1 ZINC000263089033 962236561 /nfs/dbraw/zinc/23/65/61/962236561.db2.gz SGCFULMWUGBGGO-HXUWFJFHSA-N -1 0 381.436 3.025 20 30 GGEDRM C=CCOC[C@@H](NC(=O)C1(c2cccc(C(F)(F)F)c2)CCCC1)C(=O)[O-] ZINC000263163772 962315517 /nfs/dbraw/zinc/31/55/17/962315517.db2.gz YDDULUKCEWOGPB-OAHLLOKOSA-N -1 0 385.382 3.289 20 30 GGEDRM C=CCOC[C@H](NC(=O)c1cnn(C2CCCC2)c1-c1ccccc1)C(=O)[O-] ZINC000263175812 962328630 /nfs/dbraw/zinc/32/86/30/962328630.db2.gz JUCYXHUZJPURQT-SFHVURJKSA-N -1 0 383.448 3.051 20 30 GGEDRM CO[C@H](C(=O)[O-])C(=O)Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 ZINC001574106690 962448035 /nfs/dbraw/zinc/44/80/35/962448035.db2.gz XLSAHNZOQLVCHI-QMMMGPOBSA-N -1 0 377.212 3.014 20 30 GGEDRM C#CCCCn1c(-c2cccc3cccnc32)nnc1N1CCC[C@H](C(=O)[O-])C1 ZINC001573301774 962636566 /nfs/dbraw/zinc/63/65/66/962636566.db2.gz JWWSIWHOQPSYJC-KRWDZBQOSA-N -1 0 389.459 3.208 20 30 GGEDRM C#CCN([C@@H]1CCCc2ccccc21)S(=O)(=O)c1c(C)csc1C(=O)[O-] ZINC001573302277 962648725 /nfs/dbraw/zinc/64/87/25/962648725.db2.gz UETKZUPFHRJDHA-MRXNPFEDSA-N -1 0 389.498 3.456 20 30 GGEDRM C#C[C@H](CCC)NC(=O)N1C[C@@H](c2ccc(Br)cc2)[C@H](C(=O)[O-])C1 ZINC001573302839 962662716 /nfs/dbraw/zinc/66/27/16/962662716.db2.gz QYOZSTMHEODIPO-OWCLPIDISA-N -1 0 393.281 3.061 20 30 GGEDRM C#C[C@@H](CCC)NC(=O)N1C[C@@H](c2ccc(Br)cc2)[C@H](C(=O)[O-])C1 ZINC001573302836 962662884 /nfs/dbraw/zinc/66/28/84/962662884.db2.gz QYOZSTMHEODIPO-HRCADAONSA-N -1 0 393.281 3.061 20 30 GGEDRM C#CC[C@@H](NS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F)c1ccccc1 ZINC001573302851 962665110 /nfs/dbraw/zinc/66/51/10/962665110.db2.gz GTXJBKBGEDJCMS-CQSZACIVSA-N -1 0 381.812 3.220 20 30 GGEDRM C#C[C@H](NC(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1)[C@@H]1CCCO1 ZINC001573303010 962668696 /nfs/dbraw/zinc/66/86/96/962668696.db2.gz TWXTWNKFIHLQIW-SFTDATJTSA-N -1 0 388.423 3.087 20 30 GGEDRM C#C[C@H](NC(=O)NC1CCC(C(=O)[O-])CC1)c1ccc(Br)cc1 ZINC000263484473 962669356 /nfs/dbraw/zinc/66/93/56/962669356.db2.gz OYRYCZXVAWDHEL-ZALBZXLWSA-N -1 0 379.254 3.066 20 30 GGEDRM C#CC[C@]1(C(=O)Nc2cc(C)cc(C(=O)[O-])c2)CCCN1C(=O)OC(C)(C)C ZINC001573304177 962686704 /nfs/dbraw/zinc/68/67/04/962686704.db2.gz ZDKCFINAMVMKOY-OAQYLSRUSA-N -1 0 386.448 3.425 20 30 GGEDRM C#CCOc1cc(F)ccc1NC(=O)Nc1nc2c(s1)CC[C@@H](C(=O)[O-])C2 ZINC001573311299 962699738 /nfs/dbraw/zinc/69/97/38/962699738.db2.gz LVVLQZOWPWLHAY-SNVBAGLBSA-N -1 0 389.408 3.128 20 30 GGEDRM COCCOc1ccc(C#N)cc1NC(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001574164125 962717611 /nfs/dbraw/zinc/71/76/11/962717611.db2.gz FUZLNINDJMXVRE-IAGOWNOFSA-N -1 0 395.415 3.018 20 30 GGEDRM C#Cc1cccc(N(Cc2ccccc2)S(=O)(=O)c2cccnc2C(=O)[O-])c1 ZINC001573313635 962735540 /nfs/dbraw/zinc/73/55/40/962735540.db2.gz NJHBQZFZMKWNHM-UHFFFAOYSA-N -1 0 392.436 3.157 20 30 GGEDRM C=C(C)C[C@H](NC(=O)c1ccc(Br)c(OC(F)(F)F)c1)C(=O)[O-] ZINC001573320716 962751426 /nfs/dbraw/zinc/75/14/26/962751426.db2.gz FAWHTRWBJLWVQX-JTQLQIEISA-N -1 0 396.159 3.497 20 30 GGEDRM C=C(C)C[C@@H](NC(=O)Cn1c(COc2ccccc2)nc2ccccc21)C(=O)[O-] ZINC001573321163 962754995 /nfs/dbraw/zinc/75/49/95/962754995.db2.gz JJKJQDSUZNQNRT-GOSISDBHSA-N -1 0 393.443 3.151 20 30 GGEDRM C=C(C)C[C@H](NC(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1)C(=O)OCC ZINC001573321791 962761836 /nfs/dbraw/zinc/76/18/36/962761836.db2.gz REPKQMQFSBSPOR-ZDUSSCGKSA-N -1 0 388.342 3.423 20 30 GGEDRM COc1cc(C#N)ccc1OCCCC(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-] ZINC001574177182 962794159 /nfs/dbraw/zinc/79/41/59/962794159.db2.gz NPKDHSZBKFEYBJ-HNNXBMFYSA-N -1 0 376.453 3.122 20 30 GGEDRM C=C(C)Cn1c(-c2ccc(Br)cc2)nnc1N1CC[C@H](C(=O)[O-])C1 ZINC001573325201 962794652 /nfs/dbraw/zinc/79/46/52/962794652.db2.gz GOHPTBMKMSQHBC-ZDUSSCGKSA-N -1 0 391.269 3.195 20 30 GGEDRM C=CCN(C(=O)c1cc(C)cc(C(=O)[O-])c1)[C@H](Cc1ccccc1)C(=O)OCC ZINC001573328175 962809467 /nfs/dbraw/zinc/80/94/67/962809467.db2.gz CBYHGHXMPAQULD-HXUWFJFHSA-N -1 0 395.455 3.496 20 30 GGEDRM C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC001573329181 962813121 /nfs/dbraw/zinc/81/31/21/962813121.db2.gz AJWUPDUSTCAIFW-CQSZACIVSA-N -1 0 382.844 3.037 20 30 GGEDRM C=C(CCC(=O)[O-])C(=O)N1CCCC[C@H]1[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001573331767 962814150 /nfs/dbraw/zinc/81/41/50/962814150.db2.gz AHTDQFWGSFZODZ-HOTGVXAUSA-N -1 0 380.485 3.046 20 30 GGEDRM C=C(CCC(=O)[O-])C(=O)N1CCCC[C@H]1[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001573331766 962814816 /nfs/dbraw/zinc/81/48/16/962814816.db2.gz AHTDQFWGSFZODZ-CVEARBPZSA-N -1 0 380.485 3.046 20 30 GGEDRM C=C(CCC(=O)[O-])C(=O)N1CCC[C@H]([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001573331781 962816576 /nfs/dbraw/zinc/81/65/76/962816576.db2.gz ARJCZUDAPWXZRY-DLBZAZTESA-N -1 0 394.512 3.293 20 30 GGEDRM C=C(CCC(=O)[O-])C(=O)N1CCC2(CCC[C@@H]2CNC(=O)OC(C)(C)C)CC1 ZINC001573332629 962839407 /nfs/dbraw/zinc/83/94/07/962839407.db2.gz PXCLRKGQMUJVSS-MRXNPFEDSA-N -1 0 394.512 3.341 20 30 GGEDRM C=C(CCC(=O)[O-])C(=O)N1CCCC[C@@H]1C1(CNC(=O)OC(C)(C)C)CCC1 ZINC001573332942 962846924 /nfs/dbraw/zinc/84/69/24/962846924.db2.gz UHEBFVPMMDPNAI-MRXNPFEDSA-N -1 0 394.512 3.484 20 30 GGEDRM C=C(CCC(=O)[O-])C(=O)NC1(c2cccc(OC(F)(F)F)c2)CCOCC1 ZINC001573332979 962847484 /nfs/dbraw/zinc/84/74/84/962847484.db2.gz SJSMJUQGSLDSQM-UHFFFAOYSA-N -1 0 387.354 3.128 20 30 GGEDRM CC1(C)CCCN(S(=O)(=O)c2ccc(C(=O)[O-])c(C(F)(F)F)c2)[C@@H]1C#N ZINC000277472675 962850513 /nfs/dbraw/zinc/85/05/13/962850513.db2.gz JTZAPBLOJBSGPG-CYBMUJFWSA-N -1 0 390.383 3.106 20 30 GGEDRM C=C(CCC(=O)[O-])C(=O)Nc1nc2c(s1)c(Br)ccc2OC ZINC001573339908 962896411 /nfs/dbraw/zinc/89/64/11/962896411.db2.gz YYYGGQZTQUPYQB-UHFFFAOYSA-N -1 0 385.239 3.427 20 30 GGEDRM C=C(Cl)Cn1c(COc2cc(C)ccc2C)nnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001573343957 962910798 /nfs/dbraw/zinc/91/07/98/962910798.db2.gz MRVBVOHPRKQAFJ-OAHLLOKOSA-N -1 0 390.871 3.137 20 30 GGEDRM C=C1CCC(CNC(=O)CC[C@H](NC(=O)OCc2ccccc2)C(=O)[O-])CC1 ZINC001573344351 962916009 /nfs/dbraw/zinc/91/60/09/962916009.db2.gz URBDNJONVBRNKT-SFHVURJKSA-N -1 0 388.464 3.009 20 30 GGEDRM C=C[C@@](C)(CC)C(=O)N1CCOc2c(Br)cc(C(=O)[O-])cc2C1 ZINC001573347185 962946096 /nfs/dbraw/zinc/94/60/96/962946096.db2.gz JQYKOGVVWCMMCZ-KRWDZBQOSA-N -1 0 382.254 3.471 20 30 GGEDRM C=C[C@@H](CC)CC(=O)N[C@@]1(C(=O)[O-])CCc2cc(Br)ccc2C1 ZINC001573347773 962950403 /nfs/dbraw/zinc/95/04/03/962950403.db2.gz NRKCTTYWSYQSHW-SGTLLEGYSA-N -1 0 380.282 3.480 20 30 GGEDRM C=CCC(C)(C)CNC(=O)N1CCN([C@H](C(=O)[O-])c2ccc(Cl)cc2)CC1 ZINC001573350504 962969592 /nfs/dbraw/zinc/96/95/92/962969592.db2.gz IUXKSEIVQLJFQQ-KRWDZBQOSA-N -1 0 393.915 3.395 20 30 GGEDRM C=CCC1(CNS(=O)(=O)c2ccc(NC(=O)[O-])c([N+](=O)[O-])c2)CCCC1 ZINC001573352429 962987198 /nfs/dbraw/zinc/98/71/98/962987198.db2.gz BOMSBHGSUMUTAQ-UHFFFAOYSA-N -1 0 383.426 3.100 20 30 GGEDRM C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@]1(C(=O)[O-])CC[C@H](C)CC1 ZINC001573356512 963008138 /nfs/dbraw/zinc/00/81/38/963008138.db2.gz DBIOGTFLMNBTEZ-AVYPCKFXSA-N -1 0 382.501 3.386 20 30 GGEDRM C=CCCC[C@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C(=O)[O-] ZINC001573356567 963008222 /nfs/dbraw/zinc/00/82/22/963008222.db2.gz DVDIFVINUHWUSP-KRWDZBQOSA-N -1 0 378.428 3.080 20 30 GGEDRM C=CCCC[C@@H](NC(=O)Cc1csc(-c2ccc3c(c2)OCO3)n1)C(=O)[O-] ZINC001573356579 963008233 /nfs/dbraw/zinc/00/82/33/963008233.db2.gz DXARRELXOOFFSC-CQSZACIVSA-N -1 0 388.445 3.007 20 30 GGEDRM C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1(CC(=O)[O-])CCCC1 ZINC001573356636 963009255 /nfs/dbraw/zinc/00/92/55/963009255.db2.gz FLJGPMZDVUKTQC-HNNXBMFYSA-N -1 0 382.501 3.387 20 30 GGEDRM C=CCCN(OCc1ccccc1)S(=O)(=O)c1ccc(C)cc1C(=O)[O-] ZINC001573359977 963029514 /nfs/dbraw/zinc/02/95/14/963029514.db2.gz BVQOXCSQTJLALR-UHFFFAOYSA-N -1 0 375.446 3.392 20 30 GGEDRM C=CCCn1cc(C(=O)Nc2cc(Br)cc(C(=O)[O-])c2Cl)nn1 ZINC001573360135 963032426 /nfs/dbraw/zinc/03/24/26/963032426.db2.gz IOCBYHNKNWJFHT-UHFFFAOYSA-N -1 0 399.632 3.221 20 30 GGEDRM C=CCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001573360423 963036472 /nfs/dbraw/zinc/03/64/72/963036472.db2.gz OIAJRQHLIFLANE-HUUCEWRRSA-N -1 0 388.443 3.434 20 30 GGEDRM C=CCN(CC=C)C(=O)c1ccc(NC(=O)/C=C/c2ccc(C(=O)[O-])o2)cc1 ZINC001573360554 963040026 /nfs/dbraw/zinc/04/00/26/963040026.db2.gz RRKKGUCGVMWSJR-ZRDIBKRKSA-N -1 0 380.400 3.444 20 30 GGEDRM C=CCCCCn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)[O-])CC1 ZINC001573366551 963060129 /nfs/dbraw/zinc/06/01/29/963060129.db2.gz MPQNFKUVOXTOMB-UHFFFAOYSA-N -1 0 385.468 3.110 20 30 GGEDRM C=CCCC[C@@H](NC(=O)c1nn(-c2ccccc2)cc1Br)C(=O)[O-] ZINC001573367580 963067225 /nfs/dbraw/zinc/06/72/25/963067225.db2.gz XWLUIVLGGGTOAK-CQSZACIVSA-N -1 0 392.253 3.174 20 30 GGEDRM C=CCNC(=O)Nc1ccc(NC(=O)c2[nH]c3ccccc3c2CC(=O)[O-])cc1 ZINC001573367870 963070137 /nfs/dbraw/zinc/07/01/37/963070137.db2.gz CZTKRTNQNCJWJO-UHFFFAOYSA-N -1 0 392.415 3.355 20 30 GGEDRM C=CCNC(=O)Nc1ccc(NC(=O)Nc2cc(COC)cc(C(=O)[O-])c2)cc1 ZINC001573368128 963074502 /nfs/dbraw/zinc/07/45/02/963074502.db2.gz IRIACAICBNSRHM-UHFFFAOYSA-N -1 0 398.419 3.483 20 30 GGEDRM C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001573368439 963079879 /nfs/dbraw/zinc/07/98/79/963079879.db2.gz LYQWVXTYDXVCTD-MJHDQNEOSA-N -1 0 385.233 3.149 20 30 GGEDRM C=CCO[C@@H]1CCN(c2nnc(C3CCC3)n2Cc2cccc(NC(=O)[O-])c2)C1 ZINC001573368425 963080242 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GGEDRM C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC001588445766 964067414 /nfs/dbraw/zinc/06/74/14/964067414.db2.gz RUCQXQIZTGWYJP-ZIAGYGMSSA-N -1 0 388.892 3.126 20 30 GGEDRM C#CCCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001588446175 964068533 /nfs/dbraw/zinc/06/85/33/964068533.db2.gz CCSWDRTWXCUYHG-MRXNPFEDSA-N -1 0 386.883 3.237 20 30 GGEDRM C#CCCCCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](C(=O)[O-])C1 ZINC001588446592 964075716 /nfs/dbraw/zinc/07/57/16/964075716.db2.gz RZGPYLHUBTYMQH-KRWDZBQOSA-N -1 0 384.455 3.113 20 30 GGEDRM C=CCc1ccc(OCC(=O)N2Cc3ccccc3[C@@H](C(=O)[O-])C2)c(OC)c1 ZINC000262212068 967813571 /nfs/dbraw/zinc/81/35/71/967813571.db2.gz PXWSUSFPDMYKIR-SFHVURJKSA-N -1 0 381.428 3.013 20 30 GGEDRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)C1 ZINC000263135031 967852074 /nfs/dbraw/zinc/85/20/74/967852074.db2.gz NOIGUKTVXOEMLU-KBPBESRZSA-N -1 0 380.404 3.320 20 30 GGEDRM N#CCCCN1C(=O)CCc2cc(NC(=O)NCCCCCC(=O)[O-])ccc21 ZINC000417766591 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ZINC001595384471 980931890 /nfs/dbraw/zinc/93/18/90/980931890.db2.gz SYYJYFSWXRSDBO-NRFANRHFSA-N -1 0 398.484 3.432 20 30 GGEDRM CCC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](C(=O)[O-])C2)CC1 ZINC001595384646 980933688 /nfs/dbraw/zinc/93/36/88/980933688.db2.gz ZBLNEDXXSDXUJS-KRWDZBQOSA-N -1 0 379.464 3.308 20 30 GGEDRM CC[C@]1(NC(=O)Nc2cccc(C#Cc3cccc(C(=O)[O-])c3)c2)CCOC1 ZINC001595390291 980946062 /nfs/dbraw/zinc/94/60/62/980946062.db2.gz ARMUFYLLPFZSHO-QFIPXVFZSA-N -1 0 378.428 3.475 20 30 GGEDRM N#C[C@H](c1cccc(Cl)c1)N1CCN(Cc2ccc(C(=O)[O-])s2)CC1 ZINC000903686787 981013881 /nfs/dbraw/zinc/01/38/81/981013881.db2.gz SOJGIHZLKLIQQF-MRXNPFEDSA-N -1 0 375.881 3.482 20 30 GGEDRM N#C[C@@H](c1cccc(Cl)c1)N1CCN(Cc2ccc(C(=O)[O-])s2)CC1 ZINC000903686786 981013934 /nfs/dbraw/zinc/01/39/34/981013934.db2.gz SOJGIHZLKLIQQF-INIZCTEOSA-N -1 0 375.881 3.482 20 30 GGEDRM CCC[C@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1cccc(C(=O)[O-])c1C#N ZINC001595625077 981742193 /nfs/dbraw/zinc/74/21/93/981742193.db2.gz 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3.428 20 30 GGEDRM C=C(CCC(=O)[O-])C(=O)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC001588619557 983717575 /nfs/dbraw/zinc/71/75/75/983717575.db2.gz XPPPMFOFAFGDAJ-CQSZACIVSA-N -1 0 376.211 3.453 20 30 GGEDRM C=C(CCC(=O)[O-])C(=O)N[C@H](Cc1ccc(F)cc1)[C@H]1COc2ccccc2O1 ZINC001588621540 983719680 /nfs/dbraw/zinc/71/96/80/983719680.db2.gz GBXBRKNUYPXMAS-YLJYHZDGSA-N -1 0 399.418 3.114 20 30 GGEDRM C=C(CCC(=O)[O-])C(=O)N[C@@H]1CC(=O)N(C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC001588622348 983723164 /nfs/dbraw/zinc/72/31/64/983723164.db2.gz WEMKZTVBSGYXAV-QAPCUYQASA-N -1 0 396.846 3.067 20 30 GGEDRM C=C(CCC(=O)[O-])C(=O)NCC[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC001588624283 983731087 /nfs/dbraw/zinc/73/10/87/983731087.db2.gz DCSDVEDRKHAWNS-QGZVFWFLSA-N -1 0 390.480 3.050 20 30 GGEDRM C=C(CCC(=O)[O-])C(=O)NC[C@@H]1c2ccccc2CCN1C(=O)OC(C)(C)C ZINC001588624417 983731985 /nfs/dbraw/zinc/73/19/85/983731985.db2.gz IDAWQMPPNGXRAU-QGZVFWFLSA-N -1 0 388.464 3.058 20 30 GGEDRM C=C(CCC(=O)[O-])C(=O)NCc1ccc(Br)c(Br)c1 ZINC001588629917 983740370 /nfs/dbraw/zinc/74/03/70/983740370.db2.gz MWEMFVFMVIBCQM-UHFFFAOYSA-N -1 0 391.059 3.249 20 30 GGEDRM C=C(CCC(=O)[O-])C(=O)Nc1cccc(C)c1C(=O)NCCc1ccccc1 ZINC001588634014 983751851 /nfs/dbraw/zinc/75/18/51/983751851.db2.gz PFMKVCPSJLTZQU-UHFFFAOYSA-N -1 0 380.444 3.327 20 30 GGEDRM C=C(CCC(=O)[O-])C(=O)Nc1ccnn1Cc1cccc(Br)c1 ZINC001588634645 983753394 /nfs/dbraw/zinc/75/33/94/983753394.db2.gz ZASFWXFYPXLLIX-UHFFFAOYSA-N -1 0 378.226 3.053 20 30 GGEDRM C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1c(C)ccc(C(=O)[O-])c1O ZINC001588641368 983761961 /nfs/dbraw/zinc/76/19/61/983761961.db2.gz AIFIBKNJBOWZMV-GFCCVEGCSA-N -1 0 398.843 3.373 20 30 GGEDRM C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(C)c(C(=O)[O-])c(C)n1 ZINC001588641402 983762135 /nfs/dbraw/zinc/76/21/35/983762135.db2.gz AUQZOCMEYVVDJD-GFCCVEGCSA-N -1 0 397.859 3.371 20 30 GGEDRM C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC001588641461 983762369 /nfs/dbraw/zinc/76/23/69/983762369.db2.gz CIPVZJLUPWJEDH-ZDUSSCGKSA-N -1 0 386.807 3.498 20 30 GGEDRM C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1CC(=O)[O-] ZINC001588641975 983763596 /nfs/dbraw/zinc/76/35/96/983763596.db2.gz NCZWSHSYXNYGCO-AWEZNQCLSA-N -1 0 382.844 3.288 20 30 GGEDRM C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](C(=O)[O-])c1ccccc1 ZINC001588642099 983763955 /nfs/dbraw/zinc/76/39/55/983763955.db2.gz PVURKAOIKITRIW-GJZGRUSLSA-N -1 0 396.871 3.007 20 30 GGEDRM C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1C(=O)[O-] ZINC001588641999 983764094 /nfs/dbraw/zinc/76/40/94/983764094.db2.gz OFKJEXMOVFWSGD-CQSZACIVSA-N -1 0 382.844 3.037 20 30 GGEDRM C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C(=O)[O-])c(O)c1 ZINC001588642657 983765087 /nfs/dbraw/zinc/76/50/87/983765087.db2.gz ZULVWUBHMLHUFI-LBPRGKRZSA-N -1 0 384.816 3.065 20 30 GGEDRM C=C(Cl)Cn1c(-c2cccc3cccnc32)nnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001588643254 983765504 /nfs/dbraw/zinc/76/55/04/983765504.db2.gz BHWYFNQUZKVHES-CQSZACIVSA-N -1 0 383.839 3.157 20 30 GGEDRM C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](C(=O)[O-])C1 ZINC001588643324 983765735 /nfs/dbraw/zinc/76/57/35/983765735.db2.gz FEEUDNWGHLNBJZ-LBPRGKRZSA-N -1 0 382.251 3.047 20 30 GGEDRM C=C(Cl)Cn1c(Cc2ccccc2F)nnc1N1CCC[C@H](C(=O)[O-])C1 ZINC001588643594 983766609 /nfs/dbraw/zinc/76/66/09/983766609.db2.gz NDWVFOWHHDXEEM-AWEZNQCLSA-N -1 0 378.835 3.062 20 30 GGEDRM C=C(Cl)CSc1nc(C)c(CC(=O)N[C@H](C(=O)[O-])[C@H](C)CC)s1 ZINC001588643686 983767233 /nfs/dbraw/zinc/76/72/33/983767233.db2.gz RKTMGAQQXYEHJC-OQPBUACISA-N -1 0 376.931 3.454 20 30 GGEDRM C=C(Cl)Cn1c(COc2ccccc2CC)nnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001588643876 983767750 /nfs/dbraw/zinc/76/77/50/983767750.db2.gz VHUPAVQGAMBOPB-OAHLLOKOSA-N -1 0 390.871 3.083 20 30 GGEDRM C=C(Cn1c(-c2cccc(C)n2)nnc1N1CC[C@H](C(=O)[O-])C1)c1ccccc1 ZINC001588643944 983768099 /nfs/dbraw/zinc/76/80/99/983768099.db2.gz ZCEPLQQVVDWNME-SFHVURJKSA-N -1 0 389.459 3.273 20 30 GGEDRM C=C1CCC(C(=O)N2C[C@H](C(=O)OC(C)(C)C)C3(CC(C(=O)[O-])C3)C2)CC1 ZINC001588644106 983768459 /nfs/dbraw/zinc/76/84/59/983768459.db2.gz BUFATKMYOHMFBO-ZGOJQLDESA-N -1 0 377.481 3.014 20 30 GGEDRM C=C1CCC(CNS(=O)(=O)c2ccc(Br)c(C(=O)[O-])c2)CC1 ZINC001588649751 983770297 /nfs/dbraw/zinc/77/02/97/983770297.db2.gz AYGZOISXZLTFBL-UHFFFAOYSA-N -1 0 388.283 3.172 20 30 GGEDRM C=C1[C@@H]2C[C@H](C[C@@H]1OC(=O)[C@@H](CCC(=O)[O-])NC(=O)OC(C)(C)C)C2(C)C ZINC001588650472 983772307 /nfs/dbraw/zinc/77/23/07/983772307.db2.gz CMHFMXULINRWKH-BARDWOONSA-N -1 0 381.469 3.279 20 30 GGEDRM C=CC(C)(C)CCCNS(=O)(=O)c1ccc(C(=O)[O-])cc1Br ZINC001588677253 983835172 /nfs/dbraw/zinc/83/51/72/983835172.db2.gz ZQHRDOZTUHZOMO-UHFFFAOYSA-N -1 0 390.299 3.418 20 30 GGEDRM CCN(c1ccc(C#N)c(Cl)c1)S(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC001596384274 983909833 /nfs/dbraw/zinc/90/98/33/983909833.db2.gz QCMFWURJHYAPBF-UHFFFAOYSA-N -1 0 378.837 3.434 20 30 GGEDRM C=C[C@@H](Nc1ccc(CNC(=O)c2ccc(Br)cc2)cc1)C(=O)[O-] ZINC001588701921 983917118 /nfs/dbraw/zinc/91/71/18/983917118.db2.gz CUXBCRPQYIITSZ-MRXNPFEDSA-N -1 0 389.249 3.430 20 30 GGEDRM C=CC1(CC(=O)N(CC(=O)[O-])C2CCCCC2)CN(C(=O)OC(C)(C)C)C1 ZINC001588714647 983952141 /nfs/dbraw/zinc/95/21/41/983952141.db2.gz KBRLPWMOHALJJC-UHFFFAOYSA-N -1 0 380.485 3.046 20 30 GGEDRM C=CC1(CC(=O)N(C)C2(C(=O)[O-])CCCCC2)CN(C(=O)OC(C)(C)C)C1 ZINC001588714547 983952242 /nfs/dbraw/zinc/95/22/42/983952242.db2.gz JGZHASHHCVRYTC-UHFFFAOYSA-N -1 0 380.485 3.046 20 30 GGEDRM C=C[C@@H](Sc1nnc2n1c1ccccc1c(=O)n2-c1ccccc1C)C(=O)[O-] ZINC001588715052 983954441 /nfs/dbraw/zinc/95/44/41/983954441.db2.gz SUOKOHYPVCNMOZ-MRXNPFEDSA-N -1 0 392.440 3.073 20 30 GGEDRM C=C[C@H](Sc1nnc([C@@H](CC)N(C)C)n1-c1ccc(OC)cc1)C(=O)[O-] ZINC001588715035 983954581 /nfs/dbraw/zinc/95/45/81/983954581.db2.gz SBOZZJDIJLBAPQ-CABCVRRESA-N -1 0 376.482 3.020 20 30 GGEDRM C=CC1(CC(=O)N[C@H](CC2CCCCC2)C(=O)[O-])CN(C(=O)OC(C)(C)C)C1 ZINC001588718611 983957160 /nfs/dbraw/zinc/95/71/60/983957160.db2.gz DMTVCTRGVRUUNA-MRXNPFEDSA-N -1 0 394.512 3.339 20 30 GGEDRM C=CC1(CC(=O)NC[C@H](C(=O)[O-])C2CCCCC2)CN(C(=O)OC(C)(C)C)C1 ZINC001588718846 983958207 /nfs/dbraw/zinc/95/82/07/983958207.db2.gz HXALZNLYSMFXHS-INIZCTEOSA-N -1 0 394.512 3.197 20 30 GGEDRM C=CC[C@@H](C(=O)N[C@H]1CCN(c2sccc2C(=O)[O-])C1=O)c1ccccc1 ZINC001588721618 983972352 /nfs/dbraw/zinc/97/23/52/983972352.db2.gz QKUXAISNRWZABN-ZBFHGGJFSA-N -1 0 384.457 3.028 20 30 GGEDRM C=CCC(C)(C)Cn1c(-c2ccc(OC)cc2)nnc1N1CC[C@H](C(=O)[O-])C1 ZINC001588736864 984027027 /nfs/dbraw/zinc/02/70/27/984027027.db2.gz XNEWKNGSXYYPFG-INIZCTEOSA-N -1 0 384.480 3.467 20 30 GGEDRM C=CCC(F)(F)C(=O)N[C@@](C)(CC(=O)[O-])c1ccc(Br)cc1 ZINC001588742719 984033859 /nfs/dbraw/zinc/03/38/59/984033859.db2.gz KAPAWQUCPWXXCF-AWEZNQCLSA-N -1 0 376.197 3.467 20 30 GGEDRM C=CC[C@@H](Cc1ccccc1)NS(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1 ZINC001588744335 984042259 /nfs/dbraw/zinc/04/22/59/984042259.db2.gz JSVZHAWRPJPGCF-ZDUSSCGKSA-N -1 0 381.400 3.129 20 30 GGEDRM C=CC[C@@H](Sc1nnc(N2CCC(C)CC2)n1Cc1ccco1)C(=O)[O-] ZINC001588762453 984116093 /nfs/dbraw/zinc/11/60/93/984116093.db2.gz JDVYMMIXDWLALM-OAHLLOKOSA-N -1 0 376.482 3.277 20 30 GGEDRM C=CC[C@H](Sc1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)o1)C(=O)[O-] ZINC001588762478 984116180 /nfs/dbraw/zinc/11/61/80/984116180.db2.gz JRLFUNXFSTUSPX-RYUDHWBXSA-N -1 0 383.470 3.306 20 30 GGEDRM C=CC[C@@H](Sc1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)o1)C(=O)[O-] ZINC001588762479 984116238 /nfs/dbraw/zinc/11/62/38/984116238.db2.gz JRLFUNXFSTUSPX-VXGBXAGGSA-N -1 0 383.470 3.306 20 30 GGEDRM C=CCC1(CNC(=O)N2CCN(c3ccc(C(=O)[O-])s3)CC2)CCCC1 ZINC001588767228 984129447 /nfs/dbraw/zinc/12/94/47/984129447.db2.gz PSIWIZGEVGVKQZ-UHFFFAOYSA-N -1 0 377.510 3.414 20 30 GGEDRM C=CC[C@@]1(C(=O)OCc2ccc(C(=O)[O-])cn2)CCCN1C(=O)OC(C)(C)C ZINC001588767362 984130069 /nfs/dbraw/zinc/13/00/69/984130069.db2.gz XKXYAAJRDAIQNR-FQEVSTJZSA-N -1 0 390.436 3.169 20 30 GGEDRM C=CC[C@@H]1CCCN(C(=O)Nc2c(C(=O)[O-])cc(OC)c(OC)c2OC)C1 ZINC001588771045 984137543 /nfs/dbraw/zinc/13/75/43/984137543.db2.gz MTCZIKBADOFBCA-GFCCVEGCSA-N -1 0 378.425 3.231 20 30 GGEDRM C=CC[C@@H]1CCCN(S(=O)(=O)c2cccc(C(=O)[O-])c2Br)C1 ZINC001588772945 984145944 /nfs/dbraw/zinc/14/59/44/984145944.db2.gz REPFLEWJKATCIA-LLVKDONJSA-N -1 0 388.283 3.124 20 30 GGEDRM C=CCC[C@H](C(=O)Nc1cc(C(=O)[O-])cc(S(C)(=O)=O)c1)c1ccccc1 ZINC001588777028 984154879 /nfs/dbraw/zinc/15/48/79/984154879.db2.gz RQMUTKJJKJLWDN-SFHVURJKSA-N -1 0 387.457 3.477 20 30 GGEDRM C=CCC[C@@H](CO)NC(=O)c1ccccc1SCc1occc1C(=O)[O-] ZINC001588777512 984156436 /nfs/dbraw/zinc/15/64/36/984156436.db2.gz BUGFDTYLNCRTKB-ZDUSSCGKSA-N -1 0 375.446 3.327 20 30 GGEDRM C=CCCC(C)(C)CNS(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC001588778017 984158921 /nfs/dbraw/zinc/15/89/21/984158921.db2.gz PKSCQKIEFNPOFO-UHFFFAOYSA-N -1 0 380.260 3.011 20 30 GGEDRM C=CCC[C@H](NS(=O)(=O)c1ccc(C(=O)[O-])c(OC)c1)c1ccccc1 ZINC001588778753 984163204 /nfs/dbraw/zinc/16/32/04/984163204.db2.gz LELHLNVDCZMZGQ-KRWDZBQOSA-N -1 0 375.446 3.379 20 30 GGEDRM C=CCC[C@@H](NS(=O)(=O)c1ccc(OC)cc1C(=O)[O-])c1ccccc1 ZINC001588779151 984164580 /nfs/dbraw/zinc/16/45/80/984164580.db2.gz UETNESCYZWUNCE-QGZVFWFLSA-N -1 0 375.446 3.379 20 30 GGEDRM C=CCC[C@@H](NS(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1)c1ccc(C(F)(F)F)cc1 ZINC001588779147 984164738 /nfs/dbraw/zinc/16/47/38/984164738.db2.gz UEICPCHMBIPBGZ-VHDGCEQUSA-N -1 0 391.411 3.495 20 30 GGEDRM C=CCCC1(CNS(=O)(=O)c2cc(COC)cc(C(=O)[O-])c2)CCCC1 ZINC001588782137 984170296 /nfs/dbraw/zinc/17/02/96/984170296.db2.gz QRARXSMOFPOMHC-UHFFFAOYSA-N -1 0 381.494 3.336 20 30 GGEDRM C=CCCC[C@H](C)NC(=O)N1C[C@H](C(=O)OC(C)(C)C)C2(CC(C(=O)[O-])C2)C1 ZINC001588782276 984170969 /nfs/dbraw/zinc/17/09/69/984170969.db2.gz BITRVSRFZFOGCP-SDMXJPDVSA-N -1 0 394.512 3.195 20 30 GGEDRM C=CCCC[C@@H](C)NC(=O)N1C[C@@H](C(=O)OC(C)(C)C)C2(CC(C(=O)[O-])C2)C1 ZINC001588782281 984171040 /nfs/dbraw/zinc/17/10/40/984171040.db2.gz BITRVSRFZFOGCP-XAHBDIOTSA-N -1 0 394.512 3.195 20 30 GGEDRM C=CCCCC(=O)N[C@H](CC(=O)[O-])c1cccc(I)c1 ZINC001588782404 984171509 /nfs/dbraw/zinc/17/15/09/984171509.db2.gz DPNNUUHOXRHVJL-CYBMUJFWSA-N -1 0 387.217 3.280 20 30 GGEDRM C=CCCC[C@@H](NC(=O)[C@H](C)NC(=O)c1cccc(Cl)c1Cl)C(=O)[O-] ZINC001588785414 984180135 /nfs/dbraw/zinc/18/01/35/984180135.db2.gz GLAQDUABRJCFKN-GXFFZTMASA-N -1 0 387.263 3.037 20 30 GGEDRM C=CCCC[C@@H](NC(=O)CCc1nc(-c2ccc(Cl)cc2)no1)C(=O)[O-] ZINC001588788404 984189631 /nfs/dbraw/zinc/18/96/31/984189631.db2.gz AZTWJNFQWZEWRA-CQSZACIVSA-N -1 0 377.828 3.248 20 30 GGEDRM C=CCCC[C@@H](NC(=O)CSc1ncnc2sc(C)c(C)c21)C(=O)[O-] ZINC001588788995 984195288 /nfs/dbraw/zinc/19/52/88/984195288.db2.gz UOLRRIKQIYIWKH-GFCCVEGCSA-N -1 0 379.507 3.326 20 30 GGEDRM C=CCCC[C@@H](NC(=O)CN(C(=O)OC(C)(C)C)c1ccccc1)C(=O)[O-] ZINC001588789136 984196908 /nfs/dbraw/zinc/19/69/08/984196908.db2.gz ZFSMDYPRLDUEPD-MRXNPFEDSA-N -1 0 376.453 3.354 20 30 GGEDRM C=CCCC[C@H](NC(=O)[C@H]1CCOc2ccc(Br)cc21)C(=O)[O-] ZINC001588789310 984197724 /nfs/dbraw/zinc/19/77/24/984197724.db2.gz AWIMYHJPTDBNNG-JSGCOSHPSA-N -1 0 382.254 3.241 20 30 GGEDRM C=CCCC[C@H](NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)c2ccccc21)C(=O)[O-] ZINC001588789710 984200524 /nfs/dbraw/zinc/20/05/24/984200524.db2.gz IJBRKEHMERQFDF-CVEARBPZSA-N -1 0 388.464 3.451 20 30 GGEDRM C=CCCC[C@@H](NC(=O)C1(c2ccc(OC)c(OC)c2)CCCC1)C(=O)[O-] ZINC001588789961 984202641 /nfs/dbraw/zinc/20/26/41/984202641.db2.gz NWMPWHUGHYZGAI-MRXNPFEDSA-N -1 0 375.465 3.441 20 30 GGEDRM C=CCCC[C@@H](NC(=O)C1CCN(c2ccc3cccc(O)c3n2)CC1)C(=O)[O-] ZINC001588790181 984204523 /nfs/dbraw/zinc/20/45/23/984204523.db2.gz RXANMUFINKZTSQ-QGZVFWFLSA-N -1 0 397.475 3.083 20 30 GGEDRM C=CCCC[C@H](NC(=O)/C=C/[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C(=O)[O-] ZINC001588790519 984206455 /nfs/dbraw/zinc/20/64/55/984206455.db2.gz XVNABXBOZSHEMX-OEPMCUGXSA-N -1 0 380.485 3.115 20 30 GGEDRM C=CCCC[C@@H](NC(=O)c1cc(C)ccc1I)C(=O)[O-] ZINC001588792295 984207661 /nfs/dbraw/zinc/20/76/61/984207661.db2.gz CCRWMPQCADZTJW-CYBMUJFWSA-N -1 0 387.217 3.139 20 30 GGEDRM C=CCCC[C@@H](NC(=O)c1cc2ccc(Br)cc2c(=O)o1)C(=O)[O-] ZINC001588792455 984209054 /nfs/dbraw/zinc/20/90/54/984209054.db2.gz HNQVXLLDEMUMJF-CYBMUJFWSA-N -1 0 394.221 3.095 20 30 GGEDRM C=CCCC[C@H](NC(=O)c1ccc(CNC(=O)OC(C)(C)C)cc1)C(=O)[O-] ZINC001588792451 984209423 /nfs/dbraw/zinc/20/94/23/984209423.db2.gz HLOAIRFQUAPBAD-INIZCTEOSA-N -1 0 376.453 3.251 20 30 GGEDRM C=CCCC[C@H](NC(=O)c1cc(S(=O)(=O)C2CCCC2)ccc1F)C(=O)[O-] ZINC001588792487 984210031 /nfs/dbraw/zinc/21/00/31/984210031.db2.gz IOENCRGCUDQAHI-KRWDZBQOSA-N -1 0 397.468 3.081 20 30 GGEDRM C=CCCC[C@H](NC(=O)c1ccccc1C(=O)c1ccc(OC)cc1)C(=O)[O-] ZINC001588792775 984212763 /nfs/dbraw/zinc/21/27/63/984212763.db2.gz FCZJPPCGKXINPL-IBGZPJMESA-N -1 0 381.428 3.466 20 30 GGEDRM C=CCCC[C@@H](NC(=O)c1ccc(CCNC(=O)OC(C)(C)C)cc1)C(=O)[O-] ZINC001588793274 984217691 /nfs/dbraw/zinc/21/76/91/984217691.db2.gz VJDXFFXBSRSZKR-QGZVFWFLSA-N -1 0 390.480 3.293 20 30 GGEDRM C=CCCC[C@@H](NC(=O)c1cc2c([nH]1)c(Br)ccc2OC)C(=O)[O-] ZINC001588793253 984217743 /nfs/dbraw/zinc/21/77/43/984217743.db2.gz VDLMVXNDVHDAEG-GFCCVEGCSA-N -1 0 395.253 3.478 20 30 GGEDRM C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)C1(C(=O)[O-])CCCCC1 ZINC001588793779 984221812 /nfs/dbraw/zinc/22/18/12/984221812.db2.gz ASMGNRRHCVTCEL-OAHLLOKOSA-N -1 0 382.501 3.482 20 30 GGEDRM C=CCCC[C@@H](NC(=O)[C@@]12CCC[C@@H]1N(C(=O)OC(C)(C)C)CC2)C(=O)[O-] ZINC001588793937 984222993 /nfs/dbraw/zinc/22/29/93/984222993.db2.gz GDLOELACHFSVIU-QEEYODRMSA-N -1 0 380.485 3.092 20 30 GGEDRM C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CC(=O)[O-])C1CCCC1 ZINC001588794045 984224217 /nfs/dbraw/zinc/22/42/17/984224217.db2.gz JVLFICGTXQQBAY-JKSUJKDBSA-N -1 0 382.501 3.386 20 30 GGEDRM C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)[O-])C1CCCC1 ZINC001588794043 984224250 /nfs/dbraw/zinc/22/42/50/984224250.db2.gz JVLFICGTXQQBAY-HOTGVXAUSA-N -1 0 382.501 3.386 20 30 GGEDRM C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C(=O)[O-])c1ccccc1 ZINC001588794146 984224842 /nfs/dbraw/zinc/22/48/42/984224842.db2.gz MPNPCJFNQPZXHB-HZPDHXFCSA-N -1 0 376.453 3.178 20 30 GGEDRM C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C(=O)[O-])c1ccsc1 ZINC001588794235 984225991 /nfs/dbraw/zinc/22/59/91/984225991.db2.gz OYAGUCZKKPUJTQ-ZIAGYGMSSA-N -1 0 382.482 3.240 20 30 GGEDRM C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(CC)c1ncc(C(=O)[O-])s1 ZINC001588794452 984227605 /nfs/dbraw/zinc/22/76/05/984227605.db2.gz UUCHULGZXSGPAM-GFCCVEGCSA-N -1 0 397.497 3.444 20 30 GGEDRM C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(C(=O)[O-])c1N ZINC001588794496 984227625 /nfs/dbraw/zinc/22/76/25/984227625.db2.gz WJNYUZHVYNDNIO-AWEZNQCLSA-N -1 0 377.441 3.155 20 30 GGEDRM C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1 ZINC001588794530 984228349 /nfs/dbraw/zinc/22/83/49/984228349.db2.gz XURQDPIYOWOXGX-WHSLLNHNSA-N -1 0 394.512 3.339 20 30 GGEDRM C=CCCC[C@H](NC(=O)c1cnn(-c2ccc(Br)cc2)c1)C(=O)[O-] ZINC001588797302 984229258 /nfs/dbraw/zinc/22/92/58/984229258.db2.gz BZAHBDVURPXBKE-HNNXBMFYSA-N -1 0 392.253 3.174 20 30 GGEDRM C=CCCC[C@@H](NC(=O)c1sc(C)c(Br)c1OC)C(=O)[O-] ZINC001588797456 984229644 /nfs/dbraw/zinc/22/96/44/984229644.db2.gz FEIYSBGYOJKNHK-SECBINFHSA-N -1 0 376.272 3.367 20 30 GGEDRM C=CCCC[C@H](NC(=O)c1sc(NC(=O)c2ccco2)cc1C)C(=O)[O-] ZINC001588797495 984230181 /nfs/dbraw/zinc/23/01/81/984230181.db2.gz GHFHGVCPCPFVTR-LBPRGKRZSA-N -1 0 376.434 3.441 20 30 GGEDRM C=CCCC[C@H](NC(=O)c1nn(-c2cc(F)cc(F)c2)c2c1CCC2)C(=O)[O-] ZINC001588797644 984230687 /nfs/dbraw/zinc/23/06/87/984230687.db2.gz IFBGIXNBTLVWBI-INIZCTEOSA-N -1 0 389.402 3.179 20 30 GGEDRM C=CCCC[C@@H](NC(=O)c1nn(-c2ccc(F)cc2F)c2c1CCC2)C(=O)[O-] ZINC001588797711 984230978 /nfs/dbraw/zinc/23/09/78/984230978.db2.gz JXEXAYKPJSLEGS-OAHLLOKOSA-N -1 0 389.402 3.179 20 30 GGEDRM C=CCCC[C@H](NC(=O)c1csc([C@H](C)NC(=O)OC(C)(C)C)n1)C(=O)[O-] ZINC001588798234 984234243 /nfs/dbraw/zinc/23/42/43/984234243.db2.gz YLSMWIBWNIQMRD-RYUDHWBXSA-N -1 0 397.497 3.268 20 30 GGEDRM C=CCCC[C@H](NS(=O)(=O)c1cc(Cl)ccc1Br)C(=O)[O-] ZINC001588798505 984236660 /nfs/dbraw/zinc/23/66/60/984236660.db2.gz HWTGVUYHNSOKFO-NSHDSACASA-N -1 0 396.690 3.190 20 30 GGEDRM C=CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C(=O)[O-])C1 ZINC001588802635 984250029 /nfs/dbraw/zinc/25/00/29/984250029.db2.gz RNTWCOUDOCWXET-SFHVURJKSA-N -1 0 379.464 3.474 20 30 GGEDRM C=CCCCn1c(COc2cccc(C)c2)nnc1N1CCC(C(=O)[O-])CC1 ZINC001588805955 984256551 /nfs/dbraw/zinc/25/65/51/984256551.db2.gz VTPGBUDDWLGWEO-UHFFFAOYSA-N -1 0 384.480 3.433 20 30 GGEDRM C=CCCCS(=O)(=O)N[C@](C)(CC(=O)[O-])c1ccc(Br)cc1 ZINC001588805876 984256809 /nfs/dbraw/zinc/25/68/09/984256809.db2.gz RHHGGMGQSJSLON-OAHLLOKOSA-N -1 0 390.299 3.025 20 30 GGEDRM C=CCCN(OCc1ccccc1)S(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1 ZINC001588807745 984261250 /nfs/dbraw/zinc/26/12/50/984261250.db2.gz WVZKQYJGJZHBAC-UHFFFAOYSA-N -1 0 391.445 3.092 20 30 GGEDRM C=CCCOCCn1c(-c2ccccc2C)nnc1N1CCC(C(=O)[O-])CC1 ZINC001588813131 984269176 /nfs/dbraw/zinc/26/91/76/984269176.db2.gz JCZZOGOXZDVMOF-UHFFFAOYSA-N -1 0 384.480 3.147 20 30 GGEDRM C=CCCc1ccc(S(=O)(=O)Oc2ccccc2[C@H](OC)C(=O)[O-])cc1 ZINC001588814578 984271659 /nfs/dbraw/zinc/27/16/59/984271659.db2.gz FKVDHUPLPRGMEW-SFHVURJKSA-N -1 0 376.430 3.345 20 30 GGEDRM C=CCCc1ccc(S(=O)(=O)N2CCOc3cc(C(=O)[O-])ccc3C2)cc1 ZINC001588814699 984272007 /nfs/dbraw/zinc/27/20/07/984272007.db2.gz MIZUPUVJDJSAHE-UHFFFAOYSA-N -1 0 387.457 3.087 20 30 GGEDRM C=CCCc1ccc(S(=O)(=O)N2CC[C@](C(=O)[O-])(c3ccccc3)C2)cc1 ZINC001588814935 984274676 /nfs/dbraw/zinc/27/46/76/984274676.db2.gz YWSYGTICNOIVFP-OAQYLSRUSA-N -1 0 385.485 3.222 20 30 GGEDRM C=CCN(C(=O)c1cc(F)cc(C(=O)[O-])c1)[C@@H](Cc1ccccc1)C(=O)OCC ZINC001588820549 984284812 /nfs/dbraw/zinc/28/48/12/984284812.db2.gz JWDMBQXWENGGOJ-IBGZPJMESA-N -1 0 399.418 3.327 20 30 GGEDRM C=CCN(C(=O)c1ccc(/C=C\C(=O)[O-])o1)[C@H](Cc1ccccc1)C(=O)OCC ZINC001588820503 984285079 /nfs/dbraw/zinc/28/50/79/984285079.db2.gz GYHKFRRNAUNHJU-FWFZHJKVSA-N -1 0 397.427 3.180 20 30 GGEDRM C=CCN(C(=O)c1cc(C)c(C(=O)[O-])o1)[C@H](Cc1ccccc1)C(=O)OCC ZINC001588820745 984286172 /nfs/dbraw/zinc/28/61/72/984286172.db2.gz QCXNQZRCKKYSPN-MRXNPFEDSA-N -1 0 385.416 3.089 20 30 GGEDRM C=CCN(C(=O)NCc1cccc(-c2nc(C(=O)[O-])cs2)c1)[C@@H](C)COC ZINC001588820808 984286782 /nfs/dbraw/zinc/28/67/82/984286782.db2.gz SZSFLAPMPVZKAG-ZDUSSCGKSA-N -1 0 389.477 3.241 20 30 GGEDRM C=CCN(C(=O)NCc1cccc(-c2nc(C(=O)[O-])cs2)c1)[C@H](C)COC ZINC001588820807 984286852 /nfs/dbraw/zinc/28/68/52/984286852.db2.gz SZSFLAPMPVZKAG-CYBMUJFWSA-N -1 0 389.477 3.241 20 30 GGEDRM C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)cc1 ZINC001588825709 984301422 /nfs/dbraw/zinc/30/14/22/984301422.db2.gz VGBGNBDOGTUYDW-JTSKRJEESA-N -1 0 397.475 3.219 20 30 GGEDRM C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCc2cc(C(=O)[O-])co2)cc1 ZINC001588825711 984301491 /nfs/dbraw/zinc/30/14/91/984301491.db2.gz VIHCNANIQWMINE-UHFFFAOYSA-N -1 0 383.404 3.114 20 30 GGEDRM C=CCN(CCc1ccccc1)C(=O)Nc1cccc(-n2cc(C(=O)[O-])nn2)c1 ZINC001588828615 984307580 /nfs/dbraw/zinc/30/75/80/984307580.db2.gz DQYPMKXSGAMXHP-UHFFFAOYSA-N -1 0 391.431 3.228 20 30 GGEDRM C=CCN(CCc1ccccc1)C(=O)NCCc1ccc(C(=O)[O-])cc1OC ZINC001588828738 984309574 /nfs/dbraw/zinc/30/95/74/984309574.db2.gz LUKHLIHMTVIGNZ-UHFFFAOYSA-N -1 0 382.460 3.376 20 30 GGEDRM C=CCN(Cc1ccc(Cl)s1)S(=O)(=O)c1ccc(C#N)cc1C(=O)[O-] ZINC001588829341 984314056 /nfs/dbraw/zinc/31/40/56/984314056.db2.gz UEHADFDOTUKLLC-UHFFFAOYSA-N -1 0 396.877 3.348 20 30 GGEDRM C=CCN(Cc1ccccc1F)C(=O)Nc1cccc(-n2cc(C(=O)[O-])nn2)c1 ZINC001588831689 984316520 /nfs/dbraw/zinc/31/65/20/984316520.db2.gz JOXMPYOJARFIGX-UHFFFAOYSA-N -1 0 395.394 3.325 20 30 GGEDRM C=CCN1C(=O)N(c2ccc(F)c(C(=O)[O-])c2C)C(=O)[C@H]1Cc1ccccc1 ZINC001588832099 984319328 /nfs/dbraw/zinc/31/93/28/984319328.db2.gz AMRYOLMPLXBJCL-QGZVFWFLSA-N -1 0 382.391 3.398 20 30 GGEDRM C=CCN(C(=O)[C@H]1C[C@@H](C(=O)[O-])C1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC001588832465 984322661 /nfs/dbraw/zinc/32/26/61/984322661.db2.gz PFXDNELFNNILLO-BETUJISGSA-N -1 0 387.417 3.348 20 30 GGEDRM C=CCN(c1ncc(C(=O)[O-])s1)S(=O)(=O)c1ccc(OCCC)cc1 ZINC001588832527 984323304 /nfs/dbraw/zinc/32/33/04/984323304.db2.gz QWCPRZLFPRDOIL-UHFFFAOYSA-N -1 0 382.463 3.011 20 30 GGEDRM C=CCN(Cc1ccc(OC)cc1)S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1C ZINC001588832584 984323660 /nfs/dbraw/zinc/32/36/60/984323660.db2.gz KIDXFDIPHYHUMU-UHFFFAOYSA-N -1 0 393.436 3.218 20 30 GGEDRM C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC001588832820 984326662 /nfs/dbraw/zinc/32/66/62/984326662.db2.gz RSJSMUFBOUTRMD-UHFFFAOYSA-N -1 0 385.376 3.278 20 30 GGEDRM C=CCN(Cc1ccc(OC)cc1)[C@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC001588832925 984327422 /nfs/dbraw/zinc/32/74/22/984327422.db2.gz YGNQAGQCKVMSOA-KRWDZBQOSA-N -1 0 386.473 3.248 20 30 GGEDRM C=CCN=c1scc(-c2ccc(O)cc2O)n1N=Cc1cc(C(=O)[O-])c(C)o1 ZINC001588838745 984341389 /nfs/dbraw/zinc/34/13/89/984341389.db2.gz INCZTUDVJWPCON-UHFFFAOYSA-N -1 0 399.428 3.196 20 30 GGEDRM CCOC(=O)[C@H](Cc1cccc(Cl)c1)N[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC001596533693 984352401 /nfs/dbraw/zinc/35/24/01/984352401.db2.gz AABXNCYGRHNASK-ZWKOTPCHSA-N -1 0 386.835 3.101 20 30 GGEDRM C=CCNC(=O)c1ccc(NC(=O)N[C@H](C)[C@@H](Cc2ccccc2)C(=O)[O-])cc1 ZINC001588844385 984357487 /nfs/dbraw/zinc/35/74/87/984357487.db2.gz WMGZDDQMVSKAGA-DNVCBOLYSA-N -1 0 395.459 3.056 20 30 GGEDRM CCOC(=O)[C@@H](Cc1ccccc1Cl)N[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC001596536101 984374415 /nfs/dbraw/zinc/37/44/15/984374415.db2.gz QAOUKMILAWZIKR-QZTJIDSGSA-N -1 0 386.835 3.101 20 30 GGEDRM C=CCOC[C@@H](NC(=O)/C(=C/c1ccc(F)cc1)c1cccs1)C(=O)[O-] ZINC001588850832 984380443 /nfs/dbraw/zinc/38/04/43/984380443.db2.gz GZKCYEADIOMVCN-RBFDBLARSA-N -1 0 375.421 3.200 20 30 GGEDRM C=CCOC[C@@H](NC(=O)CCCc1ccc2c(c1)-c1ccccc1C2)C(=O)[O-] ZINC001588853761 984386207 /nfs/dbraw/zinc/38/62/07/984386207.db2.gz HMBBNJMPAGGWBB-OAQYLSRUSA-N -1 0 379.456 3.353 20 30 GGEDRM C=CCOC[C@@H](NC(=O)c1c(C)onc1-c1ccc(Cl)cc1Cl)C(=O)[O-] ZINC001588856565 984401375 /nfs/dbraw/zinc/40/13/75/984401375.db2.gz MNKOWYGMDMVJLV-CYBMUJFWSA-N -1 0 399.230 3.342 20 30 GGEDRM C=CCOC[C@@H](NC(=O)c1cc2ccccc2n1Cc1ccccc1F)C(=O)[O-] ZINC001588859185 984403867 /nfs/dbraw/zinc/40/38/67/984403867.db2.gz CHUNRIBAFMXGEJ-GOSISDBHSA-N -1 0 396.418 3.214 20 30 GGEDRM C=CCOC[C@H](NC(=O)c1cc2ccccc2n1Cc1ccccc1F)C(=O)[O-] ZINC001588859186 984403953 /nfs/dbraw/zinc/40/39/53/984403953.db2.gz CHUNRIBAFMXGEJ-SFHVURJKSA-N -1 0 396.418 3.214 20 30 GGEDRM C=CCOC[C@H](NC(=O)c1cc(-c2cccc(C(F)(F)F)c2)ccn1)C(=O)[O-] ZINC001588859555 984406637 /nfs/dbraw/zinc/40/66/37/984406637.db2.gz PWTJGSVEDLRUDN-INIZCTEOSA-N -1 0 394.349 3.153 20 30 GGEDRM C=CCOC[C@@H](NC(=O)c1nc(-c2ccc(Cl)c(Cl)c2)oc1C)C(=O)[O-] ZINC001588860217 984411819 /nfs/dbraw/zinc/41/18/19/984411819.db2.gz MOJQBCSDAWLWGM-CYBMUJFWSA-N -1 0 399.230 3.342 20 30 GGEDRM C=CCOC[C@@H](NC(=O)c1ccc(C)c(NC(=O)Nc2ccccc2)c1)C(=O)[O-] ZINC001588861315 984415109 /nfs/dbraw/zinc/41/51/09/984415109.db2.gz DZBIWFWZKHCRJA-GOSISDBHSA-N -1 0 397.431 3.025 20 30 GGEDRM 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CCOc1ccc(C[C@@H](CNC(=O)CSc2ccc(C#N)cc2)C(=O)[O-])cc1 ZINC001597088369 986661240 /nfs/dbraw/zinc/66/12/40/986661240.db2.gz KOABJPSMRGMKCP-KRWDZBQOSA-N -1 0 398.484 3.109 20 30 GGEDRM CCOc1ccc(C[C@H](CNC(=O)Cc2c(C)cc(C#N)cc2C)C(=O)[O-])cc1 ZINC001597089448 986670924 /nfs/dbraw/zinc/67/09/24/986670924.db2.gz XDDWUFKJDOULCM-LJQANCHMSA-N -1 0 394.471 3.176 20 30 GGEDRM C[C@@H]1Cc2ccccc2N1Cc1ccoc1C(=O)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001594623456 986675479 /nfs/dbraw/zinc/67/54/79/986675479.db2.gz DBEJBXCOXAEGGK-OAHLLOKOSA-N -1 0 393.443 3.061 20 30 GGEDRM C[C@H]1OCC[C@@]1(C)NC(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC001594641223 986792999 /nfs/dbraw/zinc/79/29/99/986792999.db2.gz VYNZIBWHLAEBEF-IVZQSRNASA-N -1 0 378.428 3.474 20 30 GGEDRM C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001589449076 986833450 /nfs/dbraw/zinc/83/34/50/986833450.db2.gz YOCRBKFVEFSDLH-BFHYXJOUSA-N -1 0 389.521 3.258 20 30 GGEDRM C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001589449077 986833985 /nfs/dbraw/zinc/83/39/85/986833985.db2.gz YOCRBKFVEFSDLH-MELADBBJSA-N -1 0 389.521 3.258 20 30 GGEDRM CCOc1cccc2c1OCC(C(=O)OCc1cccc(C(=O)[O-])c1C#N)=C2 ZINC001597164668 986978629 /nfs/dbraw/zinc/97/86/29/986978629.db2.gz BGHFGVHOCKXCTB-UHFFFAOYSA-N -1 0 379.368 3.174 20 30 GGEDRM C[C@H](C(=O)[O-])N(CC(=O)Nc1sc2c(c1C#N)CCCCC2)C1CCC1 ZINC001589486986 987040365 /nfs/dbraw/zinc/04/03/65/987040365.db2.gz WVHOMWIBRMHTAG-GFCCVEGCSA-N -1 0 375.494 3.155 20 30 GGEDRM CCC(=NNc1ccc(C)c(C(=O)[O-])c1)c1ccc(Cl)c(S(N)(=O)=O)c1 ZINC001594694464 987108302 /nfs/dbraw/zinc/10/83/02/987108302.db2.gz XVRBPDJIYBGSFG-UHFFFAOYSA-N -1 0 395.868 3.220 20 30 GGEDRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)c1 ZINC001589521972 987172272 /nfs/dbraw/zinc/17/22/72/987172272.db2.gz GRYXABKTPLYSAQ-CZUORRHYSA-N -1 0 381.407 3.350 20 30 GGEDRM CC[C@@H](C#N)Oc1cccc(CNC(=O)N2C[C@@H]3CCCC[C@]3(C(=O)[O-])C2)c1 ZINC001594724829 987223727 /nfs/dbraw/zinc/22/37/27/987223727.db2.gz CZIPTHGOGCMTCU-FIKGOQFSSA-N -1 0 385.464 3.154 20 30 GGEDRM CC[C@H](C#N)Oc1cccc(CNC(=O)NCc2ccc(C(=O)[O-])c(OC)c2)c1 ZINC001594725148 987227163 /nfs/dbraw/zinc/22/71/63/987227163.db2.gz MRVZXMSFENJZBU-MRXNPFEDSA-N -1 0 397.431 3.074 20 30 GGEDRM CC[C@@H](C#N)Oc1cc(CNC(=O)CCc2ccc(C(=O)[O-])cc2)ccc1OC ZINC001594725132 987227693 /nfs/dbraw/zinc/22/76/93/987227693.db2.gz MAFPUGNTDXRRKB-SFHVURJKSA-N -1 0 396.443 3.323 20 30 GGEDRM CC[C@H](C#N)Oc1cccc(CNC(=O)N2Cc3ccccc3[C@H](C(=O)[O-])C2)c1 ZINC001594725502 987231598 /nfs/dbraw/zinc/23/15/98/987231598.db2.gz YJRWJCKEROSJKS-YLJYHZDGSA-N -1 0 393.443 3.261 20 30 GGEDRM CC[C@@H](C#N)Oc1cccc(CNC(=O)N2Cc3ccccc3[C@H](C(=O)[O-])C2)c1 ZINC001594725499 987232063 /nfs/dbraw/zinc/23/20/63/987232063.db2.gz YJRWJCKEROSJKS-FXAWDEMLSA-N -1 0 393.443 3.261 20 30 GGEDRM CC[C@@H](C#N)Oc1cccc(CNC(=O)N2Cc3ccccc3[C@@H](C(=O)[O-])C2)c1 ZINC001594725500 987232102 /nfs/dbraw/zinc/23/21/02/987232102.db2.gz YJRWJCKEROSJKS-PXNSSMCTSA-N -1 0 393.443 3.261 20 30 GGEDRM CC(C)(C#N)c1ccc(S(=O)(=O)N[C@@H](CC(=O)[O-])c2cccs2)cc1 ZINC001589558109 987309604 /nfs/dbraw/zinc/30/96/04/987309604.db2.gz MCXUDCVOBHDBPU-AWEZNQCLSA-N -1 0 378.475 3.044 20 30 GGEDRM CC(C)(C#N)c1ccc(C(=O)O[C@@H]2CCCC[C@H]2n2cc(C(=O)[O-])nn2)cc1 ZINC001589558401 987310147 /nfs/dbraw/zinc/31/01/47/987310147.db2.gz PHEMUAXQCRWPNI-IAGOWNOFSA-N -1 0 382.420 3.118 20 30 GGEDRM CC(C)(C#N)c1ccc(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)cc1 ZINC001589560971 987318143 /nfs/dbraw/zinc/31/81/43/987318143.db2.gz VZFCFOTYDHSTAP-MSOLQXFVSA-N -1 0 384.457 3.079 20 30 GGEDRM CCSc1cccc([C@H]2NC(=S)NC(C(=O)[O-])=C2C(=O)c2ccco2)c1 ZINC001597273065 987326515 /nfs/dbraw/zinc/32/65/15/987326515.db2.gz QBGDJRRQWWWKMC-CQSZACIVSA-N -1 0 388.470 3.132 20 30 GGEDRM CC(C)(C(=O)[O-])C(=O)COC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 ZINC001589584587 987378501 /nfs/dbraw/zinc/37/85/01/987378501.db2.gz GNPVDBVXMGFJSP-UHFFFAOYSA-N -1 0 385.347 3.326 20 30 GGEDRM CC(C)(C(=O)[O-])[C@H](NS(=O)(=O)c1cc(C#N)ccc1Cl)c1ccccc1 ZINC001589601127 987424513 /nfs/dbraw/zinc/42/45/13/987424513.db2.gz FBZMUGYYNVPSQU-MRXNPFEDSA-N -1 0 392.864 3.342 20 30 GGEDRM CC(C)(C(=O)[O-])[C@H](NS(=O)(=O)c1cccc(C#N)c1Cl)c1ccccc1 ZINC001589603349 987441902 /nfs/dbraw/zinc/44/19/02/987441902.db2.gz RDOCYVDNJBZHII-MRXNPFEDSA-N -1 0 392.864 3.342 20 30 GGEDRM CC(C)(C(=O)[O-])c1ccc(NC(=O)N2CCc3c(C#N)c(N)sc3C2)cc1 ZINC001589636084 987550127 /nfs/dbraw/zinc/55/01/27/987550127.db2.gz AJTFPQZYKXLQQI-UHFFFAOYSA-N -1 0 384.461 3.154 20 30 GGEDRM CC(C)(C(=O)[O-])c1ccc(S(=O)(=O)N[C@H]2CCCc3cc(C#N)ccc32)cc1 ZINC001589643425 987572743 /nfs/dbraw/zinc/57/27/43/987572743.db2.gz QLXFRHXYSTUIIO-IBGZPJMESA-N -1 0 398.484 3.276 20 30 GGEDRM CC(C)(C(=O)[O-])c1cccc(OS(=O)(=O)c2cccc(C#N)c2Cl)c1 ZINC001589649215 987586960 /nfs/dbraw/zinc/58/69/60/987586960.db2.gz MOEFWQCMBJMKKG-UHFFFAOYSA-N -1 0 379.821 3.342 20 30 GGEDRM CC(C)(C(=O)[O-])c1cccc(OS(=O)(=O)c2ccc(Cl)cc2C#N)c1 ZINC001589649426 987589108 /nfs/dbraw/zinc/58/91/08/987589108.db2.gz RHDIIULYKVJBBY-UHFFFAOYSA-N -1 0 379.821 3.342 20 30 GGEDRM CC(C)(C(=O)[O-])n1cc(NC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)cn1 ZINC001589672213 987672898 /nfs/dbraw/zinc/67/28/98/987672898.db2.gz MMRFYZVUBZVRGB-IRXDYDNUSA-N -1 0 381.436 3.006 20 30 GGEDRM CC(C)(C(=O)[O-])n1ccc(NC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)n1 ZINC001589677646 987696806 /nfs/dbraw/zinc/69/68/06/987696806.db2.gz KAJUBGPGWKXNDK-UHFFFAOYSA-N -1 0 381.314 3.237 20 30 GGEDRM CC(C)(C)[C@](C)(C#N)NS(=O)(=O)c1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC001589699577 987786014 /nfs/dbraw/zinc/78/60/14/987786014.db2.gz MMHFNZTVTVORSQ-AWEZNQCLSA-N -1 0 378.372 3.010 20 30 GGEDRM CCc1cc(C(=O)[O-])ccc1NC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C ZINC001597450601 987840510 /nfs/dbraw/zinc/84/05/10/987840510.db2.gz YNSUZYJYIKZORN-MRXNPFEDSA-N -1 0 389.452 3.473 20 30 GGEDRM CCc1ccc(C#CC(=O)N[C@@H](C(=O)[O-])c2ccccc2Br)cc1 ZINC001597494510 988036180 /nfs/dbraw/zinc/03/61/80/988036180.db2.gz DBCFRWUDLWOFDB-GOSISDBHSA-N -1 0 386.245 3.305 20 30 GGEDRM CCc1ccc(C#CC(=O)N2CCN(c3ccc(C(=O)[O-])cc3)C[C@@H]2C)cc1 ZINC001597495052 988040538 /nfs/dbraw/zinc/04/05/38/988040538.db2.gz PJSXATRHNBULPI-KRWDZBQOSA-N -1 0 376.456 3.036 20 30 GGEDRM CC(C)(C)C[C@@H](NC(=O)CN1CCC(C#N)(C(=O)[O-])CC1)c1ccc(F)cc1 ZINC001589745617 988041523 /nfs/dbraw/zinc/04/15/23/988041523.db2.gz QQTLOJWGXRKWTI-QGZVFWFLSA-N -1 0 389.471 3.110 20 30 GGEDRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)C(=O)/C=C/c2ccc(F)cc2)cc1 ZINC001599810381 988323736 /nfs/dbraw/zinc/32/37/36/988323736.db2.gz TWZXRWRNVRBRJD-ITHMCKDVSA-N -1 0 387.432 3.462 20 30 GGEDRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)Cc2cccc(OCC#N)c2)cc1 ZINC001599810801 988331098 /nfs/dbraw/zinc/33/10/98/988331098.db2.gz HIDBGMDEQDKRQL-GOSISDBHSA-N -1 0 384.457 3.186 20 30 GGEDRM CSc1ccc(CNC(=O)N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)cc1C#N ZINC001599813064 988372670 /nfs/dbraw/zinc/37/26/70/988372670.db2.gz KRSFPGIKBDDSHD-OAHLLOKOSA-N -1 0 375.494 3.313 20 30 GGEDRM CSc1ccc(CNS(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])cc1C#N ZINC001599813890 988385692 /nfs/dbraw/zinc/38/56/92/988385692.db2.gz BKFGNFCTUIOKBD-UHFFFAOYSA-N -1 0 396.877 3.110 20 30 GGEDRM CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)Cc1ccccc1C(=O)[O-] ZINC001597585544 988395518 /nfs/dbraw/zinc/39/55/18/988395518.db2.gz QPDYTEMAVCZGDK-SFHVURJKSA-N -1 0 378.428 3.400 20 30 GGEDRM CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1ccc(C=CC(=O)[O-])o1 ZINC001597585803 988398535 /nfs/dbraw/zinc/39/85/35/988398535.db2.gz WRGCIRIGHOYLMX-SOGBHIHOSA-N -1 0 380.400 3.463 20 30 GGEDRM CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)c1ccc(C=CC(=O)[O-])o1 ZINC001597585802 988398934 /nfs/dbraw/zinc/39/89/34/988398934.db2.gz WRGCIRIGHOYLMX-SLWQEBJJSA-N -1 0 380.400 3.463 20 30 GGEDRM CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1ccc(C=CC(=O)[O-])o1 ZINC001597585801 988399077 /nfs/dbraw/zinc/39/90/77/988399077.db2.gz WRGCIRIGHOYLMX-PXUDHTSWSA-N -1 0 380.400 3.463 20 30 GGEDRM CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC001589867222 988484852 /nfs/dbraw/zinc/48/48/52/988484852.db2.gz SPPXOBNKGVLPLX-LJQANCHMSA-N -1 0 392.477 3.205 20 30 GGEDRM CSc1cccc(NC(=O)CON=C(C)c2ccc(OCC(=O)[O-])cc2)c1 ZINC001599824891 988581671 /nfs/dbraw/zinc/58/16/71/988581671.db2.gz VVACAFAJADFMHB-UHFFFAOYSA-N -1 0 388.445 3.251 20 30 GGEDRM CSc1ccccc1[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1C(=O)[O-] ZINC001599825969 988598725 /nfs/dbraw/zinc/59/87/25/988598725.db2.gz BNUONGCEEMBYTM-LLVKDONJSA-N -1 0 376.459 3.018 20 30 GGEDRM CSc1nc(C2CC2)cc(C(=O)O[C@H](Cc2ccccc2)C(=O)[O-])c1C#N ZINC001599827291 988617044 /nfs/dbraw/zinc/61/70/44/988617044.db2.gz BGGOGURNBZBXFK-QGZVFWFLSA-N -1 0 382.441 3.405 20 30 GGEDRM CSc1nc(C2CC2)cc(C(=O)OCC(=O)c2cccc(C(=O)[O-])c2)c1C#N ZINC001599827405 988617897 /nfs/dbraw/zinc/61/78/97/988617897.db2.gz DLEOSTYZDJNZMB-UHFFFAOYSA-N -1 0 396.424 3.290 20 30 GGEDRM CSc1nc(C2CC2)cc(C(=O)N2CCc3ccc(C(=O)[O-])cc3C2)c1C#N ZINC001599828049 988627293 /nfs/dbraw/zinc/62/72/93/988627293.db2.gz MHBBWIXUBSVZOG-UHFFFAOYSA-N -1 0 393.468 3.449 20 30 GGEDRM CSc1nc(C2CC2)cc(C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)[O-])c1C#N ZINC001599828127 988629664 /nfs/dbraw/zinc/62/96/64/988629664.db2.gz PIOYNHNDHAPOSZ-QGZVFWFLSA-N -1 0 399.447 3.117 20 30 GGEDRM CSc1nn(-c2ccccc2)c(NC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)c1C#N ZINC001599829936 988656005 /nfs/dbraw/zinc/65/60/05/988656005.db2.gz SKIGLZAVFNTEBP-CHWSQXEVSA-N -1 0 384.461 3.295 20 30 GGEDRM CCc1nc2ccc(Cl)cn2c1C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC001597690311 988867093 /nfs/dbraw/zinc/86/70/93/988867093.db2.gz CWIOJXCVRDGVDC-QGZVFWFLSA-N -1 0 383.791 3.404 20 30 GGEDRM C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1C(=O)[O-])c1cc(Cl)ccc1F ZINC001599842486 988867864 /nfs/dbraw/zinc/86/78/64/988867864.db2.gz IESGNIRTUVPYPV-SECBINFHSA-N -1 0 382.800 3.088 20 30 GGEDRM CCc1nc2ccccc2cc1OS(=O)(=O)c1ccc(C#N)cc1C(=O)[O-] ZINC001597695988 988899218 /nfs/dbraw/zinc/89/92/18/988899218.db2.gz QBLVJQCXODXXON-UHFFFAOYSA-N -1 0 382.397 3.135 20 30 GGEDRM CC(C)(C)OC(=O)N1CC[C@H]2[C@H]1CCCN2Cc1cccc(C(=O)[O-])c1C#N ZINC001590003416 988930316 /nfs/dbraw/zinc/93/03/16/988930316.db2.gz CFWBALDZRYYYPH-ZWKOTPCHSA-N -1 0 385.464 3.230 20 30 GGEDRM CC(C)(C)OC(=O)N1CCCN(Cc2ccc(Cl)cc2C#N)[C@H](C(=O)[O-])C1 ZINC001590035210 989057148 /nfs/dbraw/zinc/05/71/48/989057148.db2.gz RRKUPBBKRUBRTF-INIZCTEOSA-N -1 0 393.871 3.108 20 30 GGEDRM CCc1nnc(N2C[C@@H](c3ccc(Cl)cc3)[C@H](C(=O)[O-])C2)c(C#N)c1CC ZINC001597734301 989066776 /nfs/dbraw/zinc/06/67/76/989066776.db2.gz XVEXVHRVGYCJKU-DLBZAZTESA-N -1 0 384.867 3.431 20 30 GGEDRM C[C@@H]1CN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)C[C@H]1CC(=O)[O-] ZINC001599861388 989172752 /nfs/dbraw/zinc/17/27/52/989172752.db2.gz ZDDHCUXNQQISNN-UKRRQHHQSA-N -1 0 380.404 3.320 20 30 GGEDRM CCc1oc(CN=Nc2c(F)cc(C(=O)NC3CC3)cc2F)cc1C(=O)[O-] ZINC001597792982 989339723 /nfs/dbraw/zinc/33/97/23/989339723.db2.gz OPPBCVXNLSCONC-UHFFFAOYSA-N -1 0 377.347 3.157 20 30 GGEDRM CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N[C@@H](CC1CCCCC1)C(=O)[O-] ZINC001590124037 989345071 /nfs/dbraw/zinc/34/50/71/989345071.db2.gz CXORSDKEWJKFFP-CVEARBPZSA-N -1 0 395.500 3.113 20 30 GGEDRM CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N[C@@H](CC(=O)[O-])C1CCCC1 ZINC001590124148 989346031 /nfs/dbraw/zinc/34/60/31/989346031.db2.gz GSSXLMYNNLVVAD-CVEARBPZSA-N -1 0 395.500 3.113 20 30 GGEDRM CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC001590124270 989348783 /nfs/dbraw/zinc/34/87/83/989348783.db2.gz JPWPZJISFLMNTK-HNNXBMFYSA-N -1 0 393.415 3.440 20 30 GGEDRM CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)NCC1(CC(=O)[O-])CCCCC1 ZINC001590124325 989349895 /nfs/dbraw/zinc/34/98/95/989349895.db2.gz KTXVDPYRHVOGJX-OAHLLOKOSA-N -1 0 395.500 3.115 20 30 GGEDRM CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)N(CC(=O)[O-])c1ccccc1 ZINC001590124695 989353333 /nfs/dbraw/zinc/35/33/33/989353333.db2.gz PVPHTRBGRUMUCQ-INIZCTEOSA-N -1 0 389.452 3.081 20 30 GGEDRM CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)Nc1ccc(C(=O)[O-])s1 ZINC001590124816 989354341 /nfs/dbraw/zinc/35/43/41/989354341.db2.gz RLSYSVVJEPSVQP-LLVKDONJSA-N -1 0 381.454 3.362 20 30 GGEDRM CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)Nc1sccc1C(=O)[O-] ZINC001590125096 989358140 /nfs/dbraw/zinc/35/81/40/989358140.db2.gz TZSPLARLYUZQSF-LBPRGKRZSA-N -1 0 381.454 3.362 20 30 GGEDRM CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)Oc1ccc(C(=O)[O-])cc1 ZINC001590125166 989359157 /nfs/dbraw/zinc/35/91/57/989359157.db2.gz UGKZBKQVXVLGDC-OAHLLOKOSA-N -1 0 376.409 3.267 20 30 GGEDRM C[C@@H]1C[C@H](C(=O)[O-])CCN1CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC001599878265 989448733 /nfs/dbraw/zinc/44/87/33/989448733.db2.gz UJFPBFQTVBNECA-CHWSQXEVSA-N -1 0 375.494 3.012 20 30 GGEDRM C[C@@H]1C[C@H](C(=O)OCc2ccccc2Oc2ccccc2C#N)O[C@H]1C(=O)[O-] ZINC001599879126 989460296 /nfs/dbraw/zinc/46/02/96/989460296.db2.gz IMXRSGLVGUHXJN-UPRAQXHNSA-N -1 0 381.384 3.272 20 30 GGEDRM CC(C)(C)OC(=O)NCC1(CN=Nc2cccc(F)c2C(=O)[O-])CCOCC1 ZINC001590161530 989465911 /nfs/dbraw/zinc/46/59/11/989465911.db2.gz 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CC(C)(C)c1csc(NC(=O)C(=O)Nc2ccc(CC(=O)[O-])cc2)c1C#N ZINC001590536505 990148133 /nfs/dbraw/zinc/14/81/33/990148133.db2.gz BGBRNSVCXJTONL-UHFFFAOYSA-N -1 0 385.445 3.122 20 30 GGEDRM CC(C)(C)n1cc(C#N)cc1NC(=O)N[C@H]1CCSC2(CC(C(=O)[O-])C2)C1 ZINC001590587174 990234014 /nfs/dbraw/zinc/23/40/14/990234014.db2.gz JLESLXPFOMEHSX-BIWSTMPVSA-N -1 0 390.509 3.365 20 30 GGEDRM CC(C)(C)n1cc(C#N)cc1NC(=O)N[C@@H]1CCSC2(CC(C(=O)[O-])C2)C1 ZINC001590587175 990234310 /nfs/dbraw/zinc/23/43/10/990234310.db2.gz JLESLXPFOMEHSX-SHYRYGCCSA-N -1 0 390.509 3.365 20 30 GGEDRM CN(C(=O)COCC(=O)[O-])C(=Nc1ccc2ccccc2c1)c1ccccc1 ZINC001598029861 990249086 /nfs/dbraw/zinc/24/90/86/990249086.db2.gz YKHUVMQHBMKUOX-UHFFFAOYSA-N -1 0 376.412 3.478 20 30 GGEDRM CN(C(=O)Cc1ccc(C#N)nc1)[C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001598034128 990257452 /nfs/dbraw/zinc/25/74/52/990257452.db2.gz DDPMWCIEQFIYBP-INIZCTEOSA-N -1 0 378.215 3.087 20 30 GGEDRM CN(C(=O)Cc1ccc(Br)cc1C#N)[C@@H](C(=O)[O-])c1ccccc1 ZINC001598034281 990258200 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3.271 20 30 GGEDRM CC(C)(Cc1ccc(C#N)cc1)NS(=O)(=O)c1cccc(Cl)c1C(=O)[O-] ZINC001590821986 990661528 /nfs/dbraw/zinc/66/15/28/990661528.db2.gz NUCSKCYLFNCOIR-UHFFFAOYSA-N -1 0 392.864 3.209 20 30 GGEDRM CC(C)(NC(=O)Nc1nc2c(s1)CC[C@@H](C(=O)[O-])C2)c1cccc(C#N)c1 ZINC001590858470 990746463 /nfs/dbraw/zinc/74/64/63/990746463.db2.gz CTZWARUFAJYLIN-GFCCVEGCSA-N -1 0 384.461 3.261 20 30 GGEDRM CC(C)(O)[C@@H]1CCN(C(=O)Nc2cccc(C#Cc3cccc(C(=O)[O-])c3)c2)C1 ZINC001590893310 990826029 /nfs/dbraw/zinc/82/60/29/990826029.db2.gz SLICQKCBRBTIAU-LJQANCHMSA-N -1 0 392.455 3.409 20 30 GGEDRM CC(C)C(=O)N1CCC(=NOCc2cc(Br)ccc2C(=O)[O-])CC1 ZINC001590931658 990943191 /nfs/dbraw/zinc/94/31/91/990943191.db2.gz MEKUPZSOOMRUKA-UHFFFAOYSA-N -1 0 397.269 3.298 20 30 GGEDRM COc1cccc([C@H](NCC#Cc2ccc(OC(F)(F)F)cc2)C(=O)[O-])c1 ZINC001599686803 991000351 /nfs/dbraw/zinc/00/03/51/991000351.db2.gz MLYINDNDMUXXCK-KRWDZBQOSA-N -1 0 379.334 3.361 20 30 GGEDRM CC(C)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001590963623 991066256 /nfs/dbraw/zinc/06/62/56/991066256.db2.gz LLIWJNCYJIUCQW-QGZVFWFLSA-N -1 0 381.480 3.410 20 30 GGEDRM COc1ccccc1-c1nn(C)cc1C(=O)OCc1cccc(C(=O)[O-])c1C#N ZINC001599695491 991143358 /nfs/dbraw/zinc/14/33/58/991143358.db2.gz XEZHLRSSJKJAAD-UHFFFAOYSA-N -1 0 391.383 3.023 20 30 GGEDRM CN(C)c1cc(C#N)cc(C(=O)N[C@H](C[C@@H]2CCCc3ccccc32)C(=O)[O-])c1 ZINC001598287695 991190181 /nfs/dbraw/zinc/19/01/81/991190181.db2.gz JNYDKCYTRKMKMB-LAUBAEHRSA-N -1 0 391.471 3.317 20 30 GGEDRM CN(C)c1cc(C(=O)[O-])ccc1NC(=O)NC(C)(C)Cc1ccc(C#N)cc1 ZINC001598294635 991221611 /nfs/dbraw/zinc/22/16/11/991221611.db2.gz MZVKZALPCRCMNF-UHFFFAOYSA-N -1 0 380.448 3.465 20 30 GGEDRM CN(C)c1cc(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)c2ccccc2n1 ZINC001598300993 991250858 /nfs/dbraw/zinc/25/08/58/991250858.db2.gz ISOXYIPVUYJMIA-LJQANCHMSA-N -1 0 375.384 3.155 20 30 GGEDRM CN(C)c1cc(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)nc2ccccc21 ZINC001598301507 991255059 /nfs/dbraw/zinc/25/50/59/991255059.db2.gz 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CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CCc2cccc(C(=O)[O-])c2C1 ZINC001591052795 991461584 /nfs/dbraw/zinc/46/15/84/991461584.db2.gz WRSIAVPIHZGBCL-FQEVSTJZSA-N -1 0 378.428 3.245 20 30 GGEDRM CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CCc2cccc(C(=O)[O-])c2C1 ZINC001591052796 991461737 /nfs/dbraw/zinc/46/17/37/991461737.db2.gz WRSIAVPIHZGBCL-HXUWFJFHSA-N -1 0 378.428 3.245 20 30 GGEDRM CC(C)C1(O)CN(C(=O)Nc2cccc(C#Cc3cccc(C(=O)[O-])c3)c2)C1 ZINC001591068379 991526920 /nfs/dbraw/zinc/52/69/20/991526920.db2.gz WBPGHDODKKFVMT-UHFFFAOYSA-N -1 0 378.428 3.019 20 30 GGEDRM CC(C)[C@@H]1CCc2ccccc2[C@H]1NS(=O)(=O)c1ccc(C#N)cc1C(=O)[O-] ZINC001591094647 991675776 /nfs/dbraw/zinc/67/57/76/991675776.db2.gz OPGBCIZDXUTTMA-JXFKEZNVSA-N -1 0 398.484 3.494 20 30 GGEDRM COc1sc(/C=C2/CCn3nc(C(=O)[O-])cc3C2=O)cc1Br ZINC001599742623 991881964 /nfs/dbraw/zinc/88/19/64/991881964.db2.gz BPAZAIFNLDYWTK-DAXSKMNVSA-N -1 0 383.223 3.084 20 30 GGEDRM CC(C)C[C@@H](Sc1nc(N)c(C(=O)Nc2ccccc2)cc1C#N)C(=O)[O-] ZINC001591190835 991996742 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CC(C)Cn1cc(C(=O)OCC#Cc2cccc(C(=O)[O-])c2)c(C(F)F)n1 ZINC001591520104 992686048 /nfs/dbraw/zinc/68/60/48/992686048.db2.gz FVPVSZURPGATLM-UHFFFAOYSA-N -1 0 376.359 3.383 20 30 GGEDRM CN(Cc1ccc(OCC(=O)[O-])cc1)Cc1cc(C#N)ccc1Br ZINC001598524102 992696782 /nfs/dbraw/zinc/69/67/82/992696782.db2.gz WSLNWSVDLLFJTP-UHFFFAOYSA-N -1 0 389.249 3.416 20 30 GGEDRM CN(Cc1ccc(OCC(=O)[O-])cc1)c1ccc(C#N)cc1Br ZINC001598524259 992698406 /nfs/dbraw/zinc/69/84/06/992698406.db2.gz UTMFGAZAHLUSOS-UHFFFAOYSA-N -1 0 375.222 3.421 20 30 GGEDRM CN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(OCC(=O)[O-])c2ncccc12 ZINC001598525575 992716205 /nfs/dbraw/zinc/71/62/05/992716205.db2.gz STHQWMRAGWIJPY-UHFFFAOYSA-N -1 0 390.399 3.234 20 30 GGEDRM CN(Cc1nc2cc(C(F)(F)F)ccc2[nH]1)c1ccc(C(=O)[O-])nc1C#N ZINC001598538033 992863255 /nfs/dbraw/zinc/86/32/55/992863255.db2.gz YNVADYRYTOOVIU-UHFFFAOYSA-N -1 0 375.310 3.183 20 30 GGEDRM C[C@@H](NC(=O)N1CCC[C@@H](c2ncc(C(=O)[O-])s2)C1)c1ccc(C#N)cc1 ZINC001593062959 993583692 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ZINC001599532672 997686102 /nfs/dbraw/zinc/68/61/02/997686102.db2.gz UWCFBBLLLCVTGA-OAQYLSRUSA-N -1 0 380.444 3.211 20 30 GGEDRM COc1cc(NC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)ccc1C(=O)[O-] ZINC001599432044 997775481 /nfs/dbraw/zinc/77/54/81/997775481.db2.gz PILMZXAABZPOQD-UHFFFAOYSA-N -1 0 397.406 3.259 20 30 GGEDRM COc1cc(NC(=O)Cc2ccc(C#N)cc2)c(C(=O)[O-])cc1Br ZINC001599434832 997824648 /nfs/dbraw/zinc/82/46/48/997824648.db2.gz IXTSLFQRICPTBT-UHFFFAOYSA-N -1 0 389.205 3.209 20 30 GGEDRM COc1cc(NC(=O)N2CCC(C)(C#N)CC2)c(C(=O)[O-])cc1Br ZINC001599434829 997825075 /nfs/dbraw/zinc/82/50/75/997825075.db2.gz JZFBZFKDWAJHNW-UHFFFAOYSA-N -1 0 396.241 3.313 20 30 GGEDRM COc1ccc(/C=C\C(=O)[O-])cc1OCC(=O)N(CCC#N)c1ccccc1 ZINC001599545131 997910331 /nfs/dbraw/zinc/91/03/31/997910331.db2.gz KZOCFTWCILRGSV-LUAWRHEFSA-N -1 0 380.400 3.119 20 30 GGEDRM COCCN(CCC#N)C(=O)Nc1cc(C(=O)[O-])ccc1OCc1ccccc1 ZINC001599235728 997941225 /nfs/dbraw/zinc/94/12/25/997941225.db2.gz NBHJCCSYABFKRF-UHFFFAOYSA-N -1 0 397.431 3.358 20 30 GGEDRM COc1cc(NC(=O)c2cnn(CCC#N)c2-c2ccccc2)ccc1C(=O)[O-] ZINC001599442979 997961035 /nfs/dbraw/zinc/96/10/35/997961035.db2.gz QEYUJESJEQWRHN-UHFFFAOYSA-N -1 0 390.399 3.423 20 30 GGEDRM CC1(c2ccccc2)CCC(NS(=O)(=O)c2ccc(C#N)cc2C(=O)[O-])CC1 ZINC001594079428 997967600 /nfs/dbraw/zinc/96/76/00/997967600.db2.gz FCHGHGKBVPDDKZ-UHFFFAOYSA-N -1 0 398.484 3.435 20 30 GGEDRM COc1cc(NCC(=O)N(CCC#N)c2ccc(C)c(C)c2)ccc1C(=O)[O-] ZINC001599443441 997968121 /nfs/dbraw/zinc/96/81/21/997968121.db2.gz RTIYLZJLTQVHHN-UHFFFAOYSA-N -1 0 381.432 3.369 20 30 GGEDRM COC(=O)c1cc(NC(=O)[C@@H](Oc2ccccc2C#N)C(C)C)cc(C(=O)[O-])c1 ZINC001598941945 997990379 /nfs/dbraw/zinc/99/03/79/997990379.db2.gz IIQSUXXQAQNSBP-SFHVURJKSA-N -1 0 396.399 3.085 20 30 GGEDRM COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(F)c(C(=O)[O-])c1C ZINC001599239368 998007828 /nfs/dbraw/zinc/00/78/28/998007828.db2.gz ZTLQNZSLTAPAAV-UHFFFAOYSA-N -1 0 385.395 3.385 20 30 GGEDRM COc1ccc(C[C@@H](C)C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1OC ZINC001599551267 998011035 /nfs/dbraw/zinc/01/10/35/998011035.db2.gz WTPLLZPBNZADLY-BFUOFWGJSA-N -1 0 383.400 3.123 20 30 GGEDRM COC(=O)c1cc(NC(=O)N[C@@H](CCC#N)c2ccccc2)cc(C(=O)[O-])c1 ZINC001598943436 998015097 /nfs/dbraw/zinc/01/50/97/998015097.db2.gz YPCBEVOXJWMTGQ-KRWDZBQOSA-N -1 0 381.388 3.338 20 30 GGEDRM CO[C@@H]1CN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)[C@@](C)(C(=O)[O-])C1 ZINC001599134884 998023438 /nfs/dbraw/zinc/02/34/38/998023438.db2.gz USPOENBJQQEXRP-GHTZIAJQSA-N -1 0 380.400 3.055 20 30 GGEDRM CO[C@H]1CN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)[C@@](C)(C(=O)[O-])C1 ZINC001599134894 998023541 /nfs/dbraw/zinc/02/35/41/998023541.db2.gz USPOENBJQQEXRP-WIYYLYMNSA-N -1 0 380.400 3.055 20 30 GGEDRM C[C@@]12COC[C@H]1CN(C(=O)Nc1cccc(C#Cc3cccc(C(=O)[O-])c3)c1)C2 ZINC001594088735 998026448 /nfs/dbraw/zinc/02/64/48/998026448.db2.gz SCGQXRXNOZHQCX-AUSIDOKSSA-N -1 0 390.439 3.285 20 30 GGEDRM COc1cc(C#N)ccc1NC(=O)N1CCC[C@@H]1c1nc(C(=O)[O-])c(C)s1 ZINC001599347960 998042500 /nfs/dbraw/zinc/04/25/00/998042500.db2.gz NCORHLSEOXBBKA-CYBMUJFWSA-N -1 0 386.433 3.399 20 30 GGEDRM COc1cc(C#N)cc(Br)c1OC(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001599348824 998057424 /nfs/dbraw/zinc/05/74/24/998057424.db2.gz BQHGUFWTLUCPHA-UHFFFAOYSA-N -1 0 390.189 3.176 20 30 GGEDRM COC(=O)c1cc(NC(=O)Nc2ccccc2O[C@H](C)C#N)ccc1C(=O)[O-] ZINC001598945969 998058161 /nfs/dbraw/zinc/05/81/61/998058161.db2.gz OTSIMZCDMMKKLH-LLVKDONJSA-N -1 0 383.360 3.106 20 30 GGEDRM CC1=C(C(=O)[O-])[C@@H](c2ccc(C(C)(C)C#N)cc2)NC(=O)N1C[C@H]1CCCO1 ZINC001594095220 998063257 /nfs/dbraw/zinc/06/32/57/998063257.db2.gz FJAVVBALRYDYBK-SJLPKXTDSA-N -1 0 383.448 3.092 20 30 GGEDRM COc1cc(C#N)cc(Br)c1OC(=O)c1cccc(CC(=O)[O-])c1 ZINC001599349359 998066342 /nfs/dbraw/zinc/06/63/42/998066342.db2.gz QCWYIKMZJNSPMH-UHFFFAOYSA-N -1 0 390.189 3.176 20 30 GGEDRM COc1cc(OC)c2ncc(C#N)c(NCc3cc(C(=O)[O-])c(C)n3C)c2c1 ZINC001599449812 998073111 /nfs/dbraw/zinc/07/31/11/998073111.db2.gz RITQAQOUTHRYFY-UHFFFAOYSA-N -1 0 380.404 3.081 20 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/nfs/dbraw/zinc/12/76/43/998127643.db2.gz HMHRHSFGOLQOQX-UHFFFAOYSA-N -1 0 376.359 3.498 20 30 GGEDRM COC(=O)c1cc(OC(=O)C(C)(C)c2cc(F)cc(C#N)c2)cc(C(=O)[O-])c1 ZINC001598950299 998137195 /nfs/dbraw/zinc/13/71/95/998137195.db2.gz RWTZOWFKDIWWOF-UHFFFAOYSA-N -1 0 385.347 3.065 20 30 GGEDRM COc1cc(C(=O)NC[C@H](Cc2ccc3ccccc3c2)C(=O)[O-])ccc1C#N ZINC001599353845 998143865 /nfs/dbraw/zinc/14/38/65/998143865.db2.gz ANLJLOONBQYBLN-FQEVSTJZSA-N -1 0 388.423 3.393 20 30 GGEDRM COc1cc(C(=O)NC[C@@H](Cc2ccc3ccccc3c2)C(=O)[O-])ccc1C#N ZINC001599353846 998144255 /nfs/dbraw/zinc/14/42/55/998144255.db2.gz ANLJLOONBQYBLN-HXUWFJFHSA-N -1 0 388.423 3.393 20 30 GGEDRM COC(=O)c1cc(OCc2cc(C#N)ccc2Br)cc(C(=O)[O-])c1 ZINC001598951564 998163169 /nfs/dbraw/zinc/16/31/69/998163169.db2.gz HAXUGDPHEPSJNM-UHFFFAOYSA-N -1 0 390.189 3.385 20 30 GGEDRM COc1ccc(CN2CCN([C@@H](C(=O)[O-])c3ccc(Cl)cc3)CC2)cc1C#N ZINC001599560725 998187804 /nfs/dbraw/zinc/18/78/04/998187804.db2.gz QZZBNITUNNJJHF-HXUWFJFHSA-N -1 0 399.878 3.164 20 30 GGEDRM COc1cc(C(=O)[O-])c(NC(=O)C[C@@H](CC#N)c2ccccc2)c(OC)c1OC ZINC001599357746 998207722 /nfs/dbraw/zinc/20/77/22/998207722.db2.gz WIKBGEAUDCBAIF-CQSZACIVSA-N -1 0 398.415 3.437 20 30 GGEDRM COc1ccc(CNC(=O)CCCCOc2cccc(C#N)c2)cc1C(=O)[O-] ZINC001599565728 998282689 /nfs/dbraw/zinc/28/26/89/998282689.db2.gz YGDOWZXUEDBJBA-UHFFFAOYSA-N -1 0 382.416 3.131 20 30 GGEDRM COc1cc(C(=O)[O-])ccc1CCNC(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC001599363365 998297270 /nfs/dbraw/zinc/29/72/70/998297270.db2.gz FVKYHGNCBRTFBM-UHFFFAOYSA-N -1 0 393.443 3.182 20 30 GGEDRM C[C@@H]1C(=O)CCCN1C(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC001594125767 998302917 /nfs/dbraw/zinc/30/29/17/998302917.db2.gz LVOPSZJMIIYYPZ-OAHLLOKOSA-N -1 0 376.412 3.370 20 30 GGEDRM COc1cc2c(cc1OC)[C@H](CC(=O)[O-])N(Cc1cc(C#N)ccc1F)CC2 ZINC001599463529 998316770 /nfs/dbraw/zinc/31/67/70/998316770.db2.gz HPHNZYNDEQRSJB-SFHVURJKSA-N -1 0 384.407 3.289 20 30 GGEDRM COc1cc2c(cc1OC)[C@H](CC(=O)[O-])N(Cc1ccc(C#N)c(F)c1)CC2 ZINC001599463741 998322058 /nfs/dbraw/zinc/32/20/58/998322058.db2.gz MYAWWRIOTFWSRV-SFHVURJKSA-N -1 0 384.407 3.289 20 30 GGEDRM C[C@@H]1C(=O)N(c2cccc(C#Cc3cccc(C(=O)[O-])c3)c2)C(=O)N1C1CCC1 ZINC001594129352 998327813 /nfs/dbraw/zinc/32/78/13/998327813.db2.gz FBJKTCKVUGWGFM-OAHLLOKOSA-N -1 0 388.423 3.494 20 30 GGEDRM COc1cc2ccc(NC(=O)N3CCC(C#N)(C(=O)[O-])CC3)cc2cc1OC ZINC001599466256 998365655 /nfs/dbraw/zinc/36/56/55/998365655.db2.gz UFMRELOFWUBCSW-UHFFFAOYSA-N -1 0 383.404 3.079 20 30 GGEDRM COc1cc(C(=O)[O-])ccc1CCNc1ncc(Br)cc1C#N ZINC001599368708 998376349 /nfs/dbraw/zinc/37/63/49/998376349.db2.gz WZSDKUVFJSDLLI-UHFFFAOYSA-N -1 0 376.210 3.077 20 30 GGEDRM COc1ccc(CS[C@H]2CCN(c3sccc3C(=O)[O-])C2=O)cc1C#N ZINC001599576203 998447446 /nfs/dbraw/zinc/44/74/46/998447446.db2.gz XSPDIHNCSKJATD-HNNXBMFYSA-N -1 0 388.470 3.365 20 30 GGEDRM COC[C@@H](C)N=c1scc(-c2cccc(C(=O)[O-])c2)n1N=Cc1cccnc1 ZINC001599161592 998467715 /nfs/dbraw/zinc/46/77/15/998467715.db2.gz NYFXUQODJSBLCS-CQSZACIVSA-N 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ZINC001599478943 998576775 /nfs/dbraw/zinc/57/67/75/998576775.db2.gz XHOTVMTZYXZDGU-BFUOFWGJSA-N -1 0 381.384 3.145 20 30 GGEDRM COC(=O)c1ccc(NC[C@H](Cc2ccc3ccccc3c2)C(=O)[O-])c(C#N)n1 ZINC001598983981 998683912 /nfs/dbraw/zinc/68/39/12/998683912.db2.gz DMGCYZKQHIEDOE-KRWDZBQOSA-N -1 0 389.411 3.248 20 30 GGEDRM COC(=O)c1ccc(NC[C@H](Cc2cccc3ccccc32)C(=O)[O-])c(C#N)n1 ZINC001598984218 998685930 /nfs/dbraw/zinc/68/59/30/998685930.db2.gz IWIBJLCOBWZODK-INIZCTEOSA-N -1 0 389.411 3.248 20 30 GGEDRM COC(=O)c1ccc(OCCON=Cc2ccc(C(=O)[O-])cc2)c(Cl)c1 ZINC001598985964 998696318 /nfs/dbraw/zinc/69/63/18/998696318.db2.gz UUVNKMPITAIQPB-UHFFFAOYSA-N -1 0 377.780 3.254 20 30 GGEDRM COC(=O)c1cccc(C#Cc2cccc(NC(=O)C[C@H](C)CC(=O)[O-])c2)c1 ZINC001598991947 998745557 /nfs/dbraw/zinc/74/55/57/998745557.db2.gz ZYUHSTREFHYLKG-HNNXBMFYSA-N -1 0 379.412 3.312 20 30 GGEDRM COC(=O)c1cccc(/C=C2/CCC/C(=C\c3cccc(C(=O)[O-])n3)C2=O)n1 ZINC001598992642 998751244 /nfs/dbraw/zinc/75/12/44/998751244.db2.gz 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Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)N(CC#N)CC(=O)[O-])cc12 ZINC000738896066 600409984 /nfs/dbraw/zinc/40/99/84/600409984.db2.gz LMPKHRSRJYENBH-UHFFFAOYSA-N -1 0 388.836 3.099 20 30 GGEDRM CC[C@H](C)CN(C)C(=O)C(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC000736880155 600416941 /nfs/dbraw/zinc/41/69/41/600416941.db2.gz MLJABNZDNOQOTK-INIZCTEOSA-N -1 0 392.455 3.228 20 30 GGEDRM Cc1cccc(N(CCC#N)C(=O)COc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c1C ZINC000738726193 600442309 /nfs/dbraw/zinc/44/23/09/600442309.db2.gz UTQHFDNJJWUUTP-UHFFFAOYSA-N -1 0 397.387 3.236 20 30 GGEDRM CN(Cc1cnccn1)C(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC000737494847 600463281 /nfs/dbraw/zinc/46/32/81/600463281.db2.gz BJTPIHWGSIYMHT-UHFFFAOYSA-N -1 0 386.411 3.239 20 30 GGEDRM CC(C)n1cc(/C=C2\CN(C(=O)[O-])C/C(=C\c3cnn(C(C)C)c3)C2=O)cn1 ZINC000736533205 600472718 /nfs/dbraw/zinc/47/27/18/600472718.db2.gz VDUSNTCETQTWPB-QJZPKIEXSA-N -1 0 383.452 3.271 20 30 GGEDRM COc1ccc(O)c(C=Nc2cccc(C(=O)N3CCCC[C@H]3C(=O)[O-])c2)c1 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600605227 /nfs/dbraw/zinc/60/52/27/600605227.db2.gz NZZWKPFYPHRONI-PMGBHYCQSA-N -1 0 376.162 3.296 20 30 GGEDRM C/C=C\c1ccc(OCC(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)c(OC)c1 ZINC000736834970 600605488 /nfs/dbraw/zinc/60/54/88/600605488.db2.gz LAZAQKNKCMRSHK-XQQSMPNESA-N -1 0 381.384 3.348 20 30 GGEDRM COc1ccc2cc(C(=O)O[C@@H](C(=O)[O-])c3ccc(C#N)cc3)c(C)nc2c1 ZINC000738078281 600606663 /nfs/dbraw/zinc/60/66/63/600606663.db2.gz BRFQVHCEIWPAAN-LJQANCHMSA-N -1 0 376.368 3.406 20 30 GGEDRM Cc1nn(CC(C)C)c(C)c1CCC(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000738921582 600606692 /nfs/dbraw/zinc/60/66/92/600606692.db2.gz KJTGOVGMHVDITO-HXUWFJFHSA-N -1 0 383.448 3.329 20 30 GGEDRM N#Cc1cccc(OCC(=O)NC[C@@H](Cc2ccc3ccccc3c2)C(=O)[O-])c1 ZINC000739133724 600607395 /nfs/dbraw/zinc/60/73/95/600607395.db2.gz MTBRTYAKZAOKOV-HXUWFJFHSA-N -1 0 388.423 3.150 20 30 GGEDRM N#CCOc1ccccc1C(=O)NC[C@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC000739092718 600607482 /nfs/dbraw/zinc/60/74/82/600607482.db2.gz 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ZINC000739114963 600611370 /nfs/dbraw/zinc/61/13/70/600611370.db2.gz LZWGUDRQIUTJSB-MRXNPFEDSA-N -1 0 379.290 3.325 20 30 GGEDRM N#Cc1cc([N+](=O)[O-])cnc1NC[C@@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC000739098273 600611932 /nfs/dbraw/zinc/61/19/32/600611932.db2.gz AHLLWYAVBSXSFY-QGZVFWFLSA-N -1 0 376.372 3.370 20 30 GGEDRM CC(=O)Nc1ccc(S[C@@H](C)C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000736165351 600612545 /nfs/dbraw/zinc/61/25/45/600612545.db2.gz LYNRDLVRQRDXLT-SGTLLEGYSA-N -1 0 398.440 3.366 20 30 GGEDRM CC(=O)Nc1ccc(S[C@H](C)C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000736165349 600612615 /nfs/dbraw/zinc/61/26/15/600612615.db2.gz LYNRDLVRQRDXLT-KZULUSFZSA-N -1 0 398.440 3.366 20 30 GGEDRM N#Cc1ccc([C@H](OC(=O)c2cnn(-c3ccc(Cl)cc3)c2)C(=O)[O-])cc1 ZINC000739118464 600613399 /nfs/dbraw/zinc/61/33/99/600613399.db2.gz RXINUHOROVHUOA-KRWDZBQOSA-N -1 0 381.775 3.380 20 30 GGEDRM N#Cc1ccc([C@@H](OC(=O)c2cnn(-c3cccc(Cl)c3)c2)C(=O)[O-])cc1 ZINC000739116710 600614266 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389.205 3.194 20 30 GGEDRM N#Cc1ccc([C@H](OC(=O)Cc2ccc(Br)s2)C(=O)[O-])cc1 ZINC000739113508 600618760 /nfs/dbraw/zinc/61/87/60/600618760.db2.gz ABSHDWONOKUKRB-AWEZNQCLSA-N -1 0 380.219 3.294 20 30 GGEDRM N#Cc1ccc([C@H](OC(=O)c2cccc(Oc3cnccn3)c2)C(=O)[O-])cc1 ZINC000739116024 600618910 /nfs/dbraw/zinc/61/89/10/600618910.db2.gz XPDAKAXOURDNER-SFHVURJKSA-N -1 0 375.340 3.123 20 30 GGEDRM C[C@@H](C#N)CSc1ccccc1NS(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000481979076 600628730 /nfs/dbraw/zinc/62/87/30/600628730.db2.gz IYIARXCRNRPELY-ZDUSSCGKSA-N -1 0 390.486 3.366 20 30 GGEDRM CCc1[nH]c(C(=O)N[C@H](C#N)c2ccc(Br)cc2)c(C)c1C(=O)[O-] ZINC000737241856 600630130 /nfs/dbraw/zinc/63/01/30/600630130.db2.gz PDOHLVYSPTVTFP-CYBMUJFWSA-N -1 0 390.237 3.341 20 30 GGEDRM Cc1[nH]c(C(=O)N[C@H](C#N)c2ccc(Br)cc2)c(C)c1C(=O)[O-] ZINC000738154267 600630165 /nfs/dbraw/zinc/63/01/65/600630165.db2.gz IJRDBXYLYNOBGO-GFCCVEGCSA-N -1 0 376.210 3.087 20 30 GGEDRM NC(=NOCCOc1cccc(C(=O)[O-])c1)c1cccnc1Oc1ccccc1 ZINC000739145246 600639365 /nfs/dbraw/zinc/63/93/65/600639365.db2.gz JLJBPFYYSGYVIG-UHFFFAOYSA-N -1 0 393.399 3.288 20 30 GGEDRM CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2cccc(C(=O)[O-])c2)ccc1OC ZINC000736848462 600652704 /nfs/dbraw/zinc/65/27/04/600652704.db2.gz LQKDVAMRHXFAIX-INIZCTEOSA-N -1 0 383.404 3.396 20 30 GGEDRM C=CCOc1ccccc1CNC(=O)Nc1ccc(C(=O)OC)c(C(=O)[O-])c1 ZINC000825702131 600660987 /nfs/dbraw/zinc/66/09/87/600660987.db2.gz FKIRIEOKCUZQEB-UHFFFAOYSA-N -1 0 384.388 3.058 20 30 GGEDRM C=CCN(CCc1ccccc1)C(=O)Nc1ccc(C(=O)OC)c(C(=O)[O-])c1 ZINC000825682396 600664427 /nfs/dbraw/zinc/66/44/27/600664427.db2.gz ZDUIOGPVGBJQPC-UHFFFAOYSA-N -1 0 382.416 3.434 20 30 GGEDRM N#Cc1ccc([C@H](OC(=O)CNc2cccc(C(F)(F)F)c2)C(=O)[O-])cc1 ZINC000833072889 600668080 /nfs/dbraw/zinc/66/80/80/600668080.db2.gz RTPLMBCVHXZDPG-INIZCTEOSA-N -1 0 378.306 3.358 20 30 GGEDRM N#Cc1cccc(OCc2cccc(C(=O)N3CCSC[C@@H]3CC(=O)[O-])c2)c1 ZINC000739139994 600672450 /nfs/dbraw/zinc/67/24/50/600672450.db2.gz ONJFRDADOKZQQO-SFHVURJKSA-N -1 0 396.468 3.170 20 30 GGEDRM Cc1cccc(N(CCC#N)C(=O)CN(C)[C@H](C(=O)[O-])c2ccccc2)c1C ZINC000738724918 600672985 /nfs/dbraw/zinc/67/29/85/600672985.db2.gz MYAICFHVPBIFRM-NRFANRHFSA-N -1 0 379.460 3.308 20 30 GGEDRM Cc1c2cc(C(=O)/C=C/c3ccc4c(c3)nnn4C)cnc2sc1C(=O)[O-] ZINC000738290740 600673835 /nfs/dbraw/zinc/67/38/35/600673835.db2.gz LYNCICLRGQOUQW-GQCTYLIASA-N -1 0 378.413 3.481 20 30 GGEDRM N#C[C@H](c1ccccc1)c1ccc(NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cc1 ZINC000751269218 600674335 /nfs/dbraw/zinc/67/43/35/600674335.db2.gz LKFWGBJYFORCFC-QGZVFWFLSA-N -1 0 381.413 3.169 20 30 GGEDRM N#C[C@@H](c1ccccc1)c1ccc(NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cc1 ZINC000751269217 600674343 /nfs/dbraw/zinc/67/43/43/600674343.db2.gz LKFWGBJYFORCFC-KRWDZBQOSA-N -1 0 381.413 3.169 20 30 GGEDRM CCCc1c(C(=O)NC2CCN(c3ccccc3C#N)CC2)[nH]c(C)c1C(=O)[O-] ZINC000737039706 600683157 /nfs/dbraw/zinc/68/31/57/600683157.db2.gz HGSGBUQRYIDXNO-UHFFFAOYSA-N -1 0 394.475 3.244 20 30 GGEDRM O=C([O-])c1cccc(C#Cc2cccc(NS(=O)(=O)C[C@H]3CCCCO3)c2)c1 ZINC000740212139 600694092 /nfs/dbraw/zinc/69/40/92/600694092.db2.gz CFEZXHGFMIGVIP-HXUWFJFHSA-N -1 0 399.468 3.095 20 30 GGEDRM N#CCCN(C(=O)CCc1nc(-c2cccc(C(=O)[O-])c2)no1)c1ccccc1 ZINC000833066036 600696907 /nfs/dbraw/zinc/69/69/07/600696907.db2.gz UFZRPTBNZYZKJT-UHFFFAOYSA-N -1 0 390.399 3.314 20 30 GGEDRM N#Cc1ccc([C@@H](OC(=O)c2ccc(OC3CCOCC3)cc2)C(=O)[O-])cc1 ZINC000833072819 600697424 /nfs/dbraw/zinc/69/74/24/600697424.db2.gz QKRXQMUCCLACPW-LJQANCHMSA-N -1 0 381.384 3.099 20 30 GGEDRM C=CCc1cc([N+](=O)[O-])ccc1OS(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC000825705798 600697498 /nfs/dbraw/zinc/69/74/98/600697498.db2.gz SDUQXBUBXBYQFJ-UHFFFAOYSA-N -1 0 377.374 3.098 20 30 GGEDRM CCOc1ccc(C[C@@H](CNc2c(C#N)nnc3ccccc32)C(=O)[O-])cc1 ZINC000737205639 600707367 /nfs/dbraw/zinc/70/73/67/600707367.db2.gz PDJPPQHOKRRECZ-HNNXBMFYSA-N -1 0 376.416 3.256 20 30 GGEDRM CSc1ccc([C@H](CC(=O)[O-])NS(=O)(=O)c2ccc(C#N)cc2C)cc1 ZINC000738202561 600721782 /nfs/dbraw/zinc/72/17/82/600721782.db2.gz HTUFWNRCSLZQSF-INIZCTEOSA-N -1 0 390.486 3.083 20 30 GGEDRM O=C([O-])c1ccccc1-c1ccc(C=NNS(=O)(=O)CCc2ccccc2)o1 ZINC000833334019 600724813 /nfs/dbraw/zinc/72/48/13/600724813.db2.gz ICSJOORFZREKEO-UHFFFAOYSA-N -1 0 398.440 3.141 20 30 GGEDRM C/C(=C/CSc1nc2ccccc2c(=O)n1-c1ccc(C#N)cc1)C(=O)[O-] ZINC000825792463 600727311 /nfs/dbraw/zinc/72/73/11/600727311.db2.gz FKXISQQZIBUXHO-RAXLEYEMSA-N -1 0 377.425 3.380 20 30 GGEDRM CCCCS(=O)(=O)Nc1ccc(N[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000737001094 600727522 /nfs/dbraw/zinc/72/75/22/600727522.db2.gz LFSZCQHZVZBQAJ-SFHVURJKSA-N -1 0 387.461 3.338 20 30 GGEDRM Cc1cc(S(=O)(=O)N(Cc2ccc(C#N)cc2)CC(C)C)ccc1C(=O)[O-] ZINC000832902007 600729354 /nfs/dbraw/zinc/72/93/54/600729354.db2.gz TXZSSQQFJKJJEV-UHFFFAOYSA-N -1 0 386.473 3.412 20 30 GGEDRM COC(=O)c1c(C)c(C(=O)[O-])sc1NC(=O)CSc1ccccc1C#N ZINC000831235935 600729515 /nfs/dbraw/zinc/72/95/15/600729515.db2.gz DYNDKNWQYLBTNF-UHFFFAOYSA-N -1 0 390.442 3.144 20 30 GGEDRM COC(=O)c1cc(NC(=O)[C@H](C)Sc2ccccc2C#N)cc(C(=O)[O-])c1 ZINC000831257804 600729564 /nfs/dbraw/zinc/72/95/64/600729564.db2.gz LJERVAWQGDXXHN-NSHDSACASA-N -1 0 384.413 3.162 20 30 GGEDRM COC(=O)c1cc(NC(=O)[C@@H](C)Sc2ccccc2C#N)cc(C(=O)[O-])c1 ZINC000831257803 600729708 /nfs/dbraw/zinc/72/97/08/600729708.db2.gz LJERVAWQGDXXHN-LLVKDONJSA-N -1 0 384.413 3.162 20 30 GGEDRM N#Cc1cccnc1N1CCN([C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)CC1 ZINC000833077081 600734949 /nfs/dbraw/zinc/73/49/49/600734949.db2.gz XTLHZIJWCRMBFE-MRXNPFEDSA-N -1 0 391.258 3.208 20 30 GGEDRM N#CCCn1cc(C(=O)CN2C[C@@H](C(=O)[O-])Oc3ccccc32)c2ccccc21 ZINC000739075367 600738544 /nfs/dbraw/zinc/73/85/44/600738544.db2.gz DWVNGGGUFYTIFX-NRFANRHFSA-N -1 0 389.411 3.090 20 30 GGEDRM CSC[C@@H](CCO)NC(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC000738187261 600743124 /nfs/dbraw/zinc/74/31/24/600743124.db2.gz IMRUNBOZQHFCLI-LJQANCHMSA-N -1 0 398.484 3.020 20 30 GGEDRM C[C@H](NC(=O)NCc1ccc(OCCCC(=O)[O-])cc1)c1cccc(C#N)c1 ZINC000827665710 600772133 /nfs/dbraw/zinc/77/21/33/600772133.db2.gz VEDDJJMSTUFKHY-HNNXBMFYSA-N -1 0 381.432 3.362 20 30 GGEDRM Cc1ncsc1[C@H]1NC(=O)N(Cc2ccccc2)C(C(=O)[O-])=C1C(=O)C1CC1 ZINC000833010490 600782156 /nfs/dbraw/zinc/78/21/56/600782156.db2.gz NFJVBSHWEFEVNO-HNNXBMFYSA-N -1 0 397.456 3.036 20 30 GGEDRM CC(=O)C1=C(C(=O)[O-])N(c2ccc(C)c(F)c2)C(=O)N[C@@H]1c1scnc1C ZINC000825813066 600783326 /nfs/dbraw/zinc/78/33/26/600783326.db2.gz COIQPIGSJJRHDW-AWEZNQCLSA-N -1 0 389.408 3.098 20 30 GGEDRM C[C@@H](Oc1ccc(C#N)cc1)C(=O)N(CCC(=O)[O-])Cc1cccc(F)c1F ZINC000827879670 600796115 /nfs/dbraw/zinc/79/61/15/600796115.db2.gz VUAGMAJXZHXMBW-CYBMUJFWSA-N -1 0 388.370 3.107 20 30 GGEDRM COc1cccc(C=NOCCOc2ccc(C(=O)[O-])cc2Cl)c1OC ZINC000832545277 600802090 /nfs/dbraw/zinc/80/20/90/600802090.db2.gz DBLNWWMPAMUPBT-UHFFFAOYSA-N -1 0 379.796 3.485 20 30 GGEDRM Cn1cc(S(=O)(=O)Nc2ccc(Oc3ccccc3C#N)cc2)cc1C(=O)[O-] ZINC000409869836 600813342 /nfs/dbraw/zinc/81/33/42/600813342.db2.gz KXADAKLFYZEMGM-UHFFFAOYSA-N -1 0 397.412 3.188 20 30 GGEDRM N#Cc1cc(NCCOc2ccc(C(=O)[O-])cc2)nc2ccc([N+](=O)[O-])cc12 ZINC000833069864 600814472 /nfs/dbraw/zinc/81/44/72/600814472.db2.gz WUOGLCXZZDGZGA-UHFFFAOYSA-N -1 0 378.344 3.204 20 30 GGEDRM COC(=O)c1ccc(/C=C2/COC/C(=C\c3ccc(C(=O)[O-])cc3)C2=O)cc1 ZINC000737697618 600816057 /nfs/dbraw/zinc/81/60/57/600816057.db2.gz PTTSSMXALTVRAG-PAUOAVIZSA-N -1 0 378.380 3.238 20 30 GGEDRM N#Cc1cc(F)ccc1CS[C@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC000833069801 600826543 /nfs/dbraw/zinc/82/65/43/600826543.db2.gz RHKRPDSBYJPHEB-AWEZNQCLSA-N -1 0 376.434 3.496 20 30 GGEDRM N#Cc1ccc(N2CCC[C@@H]2C(=O)N2C[C@@H](CC(=O)[O-])c3ccccc32)cc1 ZINC000739122282 600850768 /nfs/dbraw/zinc/85/07/68/600850768.db2.gz DSCIYMJRRZPECH-OXQOHEQNSA-N -1 0 375.428 3.132 20 30 GGEDRM C[C@H](NC(=O)C(=O)Nc1sc(C(C)(C)C)cc1C(=O)[O-])c1cccc(C#N)c1 ZINC000827616162 600859714 /nfs/dbraw/zinc/85/97/14/600859714.db2.gz OBTCDKCTTDVELN-NSHDSACASA-N -1 0 399.472 3.431 20 30 GGEDRM Cc1ccc(N(CCC#N)S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)cc1 ZINC000738609151 600893905 /nfs/dbraw/zinc/89/39/05/600893905.db2.gz ZQXHNDREYHJOSV-UHFFFAOYSA-N -1 0 378.837 3.456 20 30 GGEDRM N#Cc1ccccc1COc1ccc(C(=O)N[C@H](C(=O)[O-])c2ccccn2)cc1 ZINC000833074962 600912859 /nfs/dbraw/zinc/91/28/59/600912859.db2.gz HKSOZDPXCMNXCE-FQEVSTJZSA-N -1 0 387.395 3.088 20 30 GGEDRM C=CCn1c(S[C@@H](C(=O)[O-])c2ccc(C#N)cc2)nc2ccccc2c1=O ZINC000736117700 600935934 /nfs/dbraw/zinc/93/59/34/600935934.db2.gz LXDNEYHSGLYRJQ-QGZVFWFLSA-N -1 0 377.425 3.372 20 30 GGEDRM COc1ccc(-c2nnc(S[C@@H](C(=O)[O-])c3ccc(C#N)cc3)n2C)cc1 ZINC000737913369 600936495 /nfs/dbraw/zinc/93/64/95/600936495.db2.gz OMCGSWBLVGYGIC-MRXNPFEDSA-N -1 0 380.429 3.280 20 30 GGEDRM Cc1nc2c3ccccc3nc(S[C@@H](C(=O)[O-])c3ccc(C#N)cc3)n2n1 ZINC000738873480 600937350 /nfs/dbraw/zinc/93/73/50/600937350.db2.gz UYCBNBCXSZOOTK-MRXNPFEDSA-N -1 0 375.413 3.376 20 30 GGEDRM C=CCc1cc(C(=O)Nc2ccc(C(=O)OC)c(C(=O)[O-])c2)cc(OC)c1OC ZINC000825702324 600939888 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Cc1nn(C)c2nc(C3CC3)cc(C(=O)O[C@@H](C(=O)[O-])c3cccc(C#N)c3)c12 ZINC000833016290 601346046 /nfs/dbraw/zinc/34/60/46/601346046.db2.gz VNAXXGVQODMMNR-GOSISDBHSA-N -1 0 390.399 3.009 20 30 GGEDRM Cc1nc2c(cnn2C(C)C)cc1C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000833005108 601346087 /nfs/dbraw/zinc/34/60/87/601346087.db2.gz ILNMKYFMAIQJPT-KRWDZBQOSA-N -1 0 378.388 3.175 20 30 GGEDRM COc1ccc(Br)c(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000832143107 601346586 /nfs/dbraw/zinc/34/65/86/601346586.db2.gz NDKOIYYUJFYXOT-OAHLLOKOSA-N -1 0 390.189 3.312 20 30 GGEDRM Cc1c(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)[nH]c2c1C(=O)CC(C)(C)C2 ZINC000832853202 601346726 /nfs/dbraw/zinc/34/67/26/601346726.db2.gz FMPGUFKSDNZAID-GOSISDBHSA-N -1 0 380.400 3.333 20 30 GGEDRM Cc1oc(-n2cccc2)c(C#N)c1C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000833024507 601346920 /nfs/dbraw/zinc/34/69/20/601346920.db2.gz HQZRAPXHSHUNBD-KRWDZBQOSA-N -1 0 375.340 3.105 20 30 GGEDRM N#Cc1cccc([C@@H](OC(=O)c2ccc(Cl)c(N3CCCC3=O)c2)C(=O)[O-])c1 ZINC000833077290 601347009 /nfs/dbraw/zinc/34/70/09/601347009.db2.gz OMDLCKDDEFQJJP-GOSISDBHSA-N -1 0 398.802 3.321 20 30 GGEDRM N#Cc1cccc([C@H](OC(=O)c2ccc(F)cc2Br)C(=O)[O-])c1 ZINC000833075473 601347055 /nfs/dbraw/zinc/34/70/55/601347055.db2.gz BMRJDHSJSIJDPL-AWEZNQCLSA-N -1 0 378.153 3.443 20 30 GGEDRM Cc1cc(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)c2cnn(C(C)C)c2n1 ZINC000832868723 601347641 /nfs/dbraw/zinc/34/76/41/601347641.db2.gz RYTLZXQYCSVVKI-KRWDZBQOSA-N -1 0 378.388 3.175 20 30 GGEDRM Cc1noc2nc(C3CC3)cc(C(=O)O[C@H](C(=O)[O-])c3cccc(C#N)c3)c12 ZINC000833023648 601347861 /nfs/dbraw/zinc/34/78/61/601347861.db2.gz JGZKHZTVHBHZNH-KRWDZBQOSA-N -1 0 377.356 3.263 20 30 GGEDRM C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000828191247 601348006 /nfs/dbraw/zinc/34/80/06/601348006.db2.gz AMKYFGWHFHJUCL-UUWFMWQGSA-N -1 0 378.384 3.135 20 30 GGEDRM C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000828191244 601348030 /nfs/dbraw/zinc/34/80/30/601348030.db2.gz AMKYFGWHFHJUCL-OCBCSQNSSA-N -1 0 378.384 3.135 20 30 GGEDRM CC(C)NC(=O)Nc1cccc(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000826975819 601348109 /nfs/dbraw/zinc/34/81/09/601348109.db2.gz AXCLWSWEOWSIAK-KRWDZBQOSA-N -1 0 381.388 3.071 20 30 GGEDRM Cc1cc(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)c(C)n1-c1ccccn1 ZINC000832867749 601348506 /nfs/dbraw/zinc/34/85/06/601348506.db2.gz DJRFJJPLTHINGH-LJQANCHMSA-N -1 0 375.384 3.344 20 30 GGEDRM N#Cc1cccc([C@@H](OC(=O)c2ccc(CN3CCCCC3=O)cc2)C(=O)[O-])c1 ZINC000833077447 601348824 /nfs/dbraw/zinc/34/88/24/601348824.db2.gz SRTZLVFUEWFWLT-HXUWFJFHSA-N -1 0 392.411 3.053 20 30 GGEDRM CCOc1cccc2c1OCC(C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1)=C2 ZINC000830104688 601349418 /nfs/dbraw/zinc/34/94/18/601349418.db2.gz MTNBSGXXPISFGK-IBGZPJMESA-N -1 0 379.368 3.102 20 30 GGEDRM Cc1ccc(C)n1-c1nc(CC(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)cs1 ZINC000832925382 601349502 /nfs/dbraw/zinc/34/95/02/601349502.db2.gz MDRWDKAKGLFJCI-SFHVURJKSA-N -1 0 395.440 3.334 20 30 GGEDRM N#Cc1cccc([C@H](OC(=O)c2cc(F)cc(Br)c2)C(=O)[O-])c1 ZINC000833075391 601349676 /nfs/dbraw/zinc/34/96/76/601349676.db2.gz AHNRBCQOGQYENF-AWEZNQCLSA-N -1 0 378.153 3.443 20 30 GGEDRM CC(C)NC(=O)Nc1ccc(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000826976343 601350063 /nfs/dbraw/zinc/35/00/63/601350063.db2.gz SODCCWMKCGJYRP-QGZVFWFLSA-N -1 0 381.388 3.071 20 30 GGEDRM Cc1nc2cc(F)cc(C(=O)O[C@@H](C(=O)[O-])c3cccc(C#N)c3)c2nc1C ZINC000833003966 601350322 /nfs/dbraw/zinc/35/03/22/601350322.db2.gz DIKXDJUVSFDCRC-GOSISDBHSA-N -1 0 379.347 3.240 20 30 GGEDRM N#Cc1cccc([C@@H](OC(=O)c2cccc(NC(=O)c3ccco3)c2)C(=O)[O-])c1 ZINC000833077306 601350609 /nfs/dbraw/zinc/35/06/09/601350609.db2.gz OWPLHDPANFDZLD-GOSISDBHSA-N -1 0 390.351 3.386 20 30 GGEDRM Cc1cc(C)n(Cc2cccc(C(=O)O[C@H](C(=O)[O-])c3cccc(C#N)c3)c2)n1 ZINC000832880653 601351193 /nfs/dbraw/zinc/35/11/93/601351193.db2.gz KDSYODOMJUYQSI-FQEVSTJZSA-N -1 0 389.411 3.403 20 30 GGEDRM N#Cc1cccc([C@H](OC(=O)c2cc(Br)cnc2Cl)C(=O)[O-])c1 ZINC000833075665 601352265 /nfs/dbraw/zinc/35/22/65/601352265.db2.gz CXUDZFKZQATXCJ-LBPRGKRZSA-N -1 0 395.596 3.352 20 30 GGEDRM CCCN(CC)C(=O)c1ccc(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000829482184 601352672 /nfs/dbraw/zinc/35/26/72/601352672.db2.gz JPWFEDPZVTUIFE-LJQANCHMSA-N -1 0 394.427 3.413 20 30 GGEDRM CCN(CC)C(=O)c1ccc(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000829659227 601352702 /nfs/dbraw/zinc/35/27/02/601352702.db2.gz WWMGMRVWRNMNRW-SFHVURJKSA-N -1 0 380.400 3.023 20 30 GGEDRM Cc1c(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)nnn1-c1ccccc1Cl ZINC000832853870 601353140 /nfs/dbraw/zinc/35/31/40/601353140.db2.gz OYZXVNICFULSTL-KRWDZBQOSA-N -1 0 396.790 3.084 20 30 GGEDRM C[C@@H](Oc1ccc(F)cc1Cl)C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000827889355 601353352 /nfs/dbraw/zinc/35/33/52/601353352.db2.gz BXTAANQWYUNOIL-HWPZZCPQSA-N -1 0 377.755 3.487 20 30 GGEDRM C[C@H](Oc1ccc(F)cc1Cl)C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000827889357 601353429 /nfs/dbraw/zinc/35/34/29/601353429.db2.gz BXTAANQWYUNOIL-QFYYESIMSA-N -1 0 377.755 3.487 20 30 GGEDRM Cc1ccc(Nc2cccc(C(=O)O[C@H](C(=O)[O-])c3cccc(C#N)c3)c2)nn1 ZINC000832950106 601353805 /nfs/dbraw/zinc/35/38/05/601353805.db2.gz BAANYMIIRJQZLT-IBGZPJMESA-N -1 0 388.383 3.383 20 30 GGEDRM N#Cc1cccc([C@H](OC(=O)c2ccc(OC3CCOCC3)cc2)C(=O)[O-])c1 ZINC000833075791 601355080 /nfs/dbraw/zinc/35/50/80/601355080.db2.gz DSWVKEAXKSWRCC-IBGZPJMESA-N -1 0 381.384 3.099 20 30 GGEDRM COCCOc1ccc(Cl)cc1C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000831774394 601355799 /nfs/dbraw/zinc/35/57/99/601355799.db2.gz YNKULHVIAIRCKC-KRWDZBQOSA-N -1 0 389.791 3.220 20 30 GGEDRM C=CC[C@@H](NC(=O)C(=O)Nc1sc2c(c1C(=O)[O-])CCCC2)c1ccncc1 ZINC000825664771 601362629 /nfs/dbraw/zinc/36/26/29/601362629.db2.gz KOCVXIYQIYQMAX-CQSZACIVSA-N -1 0 399.472 3.092 20 30 GGEDRM C=CCn1c(-c2ccc(Cl)cc2)nn(CN(CC(=O)[O-])C2CC2)c1=S ZINC000737537276 601376522 /nfs/dbraw/zinc/37/65/22/601376522.db2.gz ONNMCTUABQLSSO-UHFFFAOYSA-N -1 0 378.885 3.427 20 30 GGEDRM COc1cccc(CN2C(=O)N[C@H](c3cc(C#N)cs3)C(C(=O)[O-])=C2C)c1 ZINC000832549093 601376957 /nfs/dbraw/zinc/37/69/57/601376957.db2.gz ICFSHZWBAWAAHE-QGZVFWFLSA-N -1 0 383.429 3.253 20 30 GGEDRM COc1cccc(CN2C(=O)N[C@@H](c3cc(C#N)cs3)C(C(=O)[O-])=C2C)c1 ZINC000832549084 601376965 /nfs/dbraw/zinc/37/69/65/601376965.db2.gz ICFSHZWBAWAAHE-KRWDZBQOSA-N -1 0 383.429 3.253 20 30 GGEDRM Cc1cc(C(=O)CN(CC#N)CC(=O)[O-])c(C)n1CCc1ccc(Cl)cc1 ZINC000832859119 601381456 /nfs/dbraw/zinc/38/14/56/601381456.db2.gz LMMIAQLMXZSSGJ-UHFFFAOYSA-N -1 0 387.867 3.094 20 30 GGEDRM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000832869479 601385143 /nfs/dbraw/zinc/38/51/43/601385143.db2.gz XSBBYZMKPSQNBH-MSOLQXFVSA-N -1 0 384.457 3.154 20 30 GGEDRM Cc1ccc(S(=O)(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc1C(=O)[O-] ZINC000832955823 601385410 /nfs/dbraw/zinc/38/54/10/601385410.db2.gz WVKLWGJYTCATNU-OALUTQOASA-N -1 0 384.457 3.154 20 30 GGEDRM Cc1cccc(S(=O)(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)c1C(=O)[O-] ZINC000832972389 601385413 /nfs/dbraw/zinc/38/54/13/601385413.db2.gz BGBRQPXHISSJBC-IAGOWNOFSA-N -1 0 384.457 3.154 20 30 GGEDRM Cc1cc(S(=O)(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)ccc1C(=O)[O-] ZINC000832901602 601386126 /nfs/dbraw/zinc/38/61/26/601386126.db2.gz AZVPUESLOYPSBH-OALUTQOASA-N -1 0 384.457 3.154 20 30 GGEDRM Cc1cc(S(=O)(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)ccc1C(=O)[O-] ZINC000832901604 601386149 /nfs/dbraw/zinc/38/61/49/601386149.db2.gz AZVPUESLOYPSBH-RTBURBONSA-N -1 0 384.457 3.154 20 30 GGEDRM O=C([O-])c1ccc2[nH]cc(CN=Nc3nc(Br)cn4ccnc34)c2c1 ZINC000833324887 601387330 /nfs/dbraw/zinc/38/73/30/601387330.db2.gz GTQVUEWMXLJYNW-UHFFFAOYSA-N -1 0 399.208 3.117 20 30 GGEDRM C#CCOc1ccccc1CNC(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC000825631272 601416501 /nfs/dbraw/zinc/41/65/01/601416501.db2.gz AFPMVHJSOVWSNO-KRWDZBQOSA-N -1 0 386.835 3.367 20 30 GGEDRM N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)NCc1cccc(OCC(=O)[O-])c1 ZINC000833064653 601417416 /nfs/dbraw/zinc/41/74/16/601417416.db2.gz MFYJEHIOPWQFEH-WOJBJXKFSA-N -1 0 393.443 3.131 20 30 GGEDRM N#Cc1ccc(-c2nnc(CN3C[C@H](C4CCCCC4)C[C@H]3C(=O)[O-])o2)cc1 ZINC000833071174 601431162 /nfs/dbraw/zinc/43/11/62/601431162.db2.gz YCKCBNWAMKXMLU-MSOLQXFVSA-N -1 0 380.448 3.464 20 30 GGEDRM N#Cc1ccccc1Sc1ccc(C(=O)Nc2ccn(CC(=O)[O-])n2)cc1 ZINC000833076874 601437499 /nfs/dbraw/zinc/43/74/99/601437499.db2.gz RFJNZMKYGJIRJN-UHFFFAOYSA-N -1 0 378.413 3.243 20 30 GGEDRM C=CCCCC(=O)N[C@@H](Cc1c[nH]c2ccc(Br)cc12)C(=O)[O-] ZINC000825671395 601442177 /nfs/dbraw/zinc/44/21/77/601442177.db2.gz OPNNBTMVXBUVGT-HNNXBMFYSA-N -1 0 379.254 3.399 20 30 GGEDRM Cc1nn(-c2ccc(C(=O)N[C@@H](C#N)C(C)(C)C)cc2)c(C)c1CCC(=O)[O-] ZINC000833012694 601448006 /nfs/dbraw/zinc/44/80/06/601448006.db2.gz QHELKXZVRCIODY-SFHVURJKSA-N -1 0 382.464 3.174 20 30 GGEDRM Cc1c(C(=O)[O-])c2cc(OC(=O)[C@H](C)Oc3ccccc3C#N)ccc2n1C ZINC000832851749 601450640 /nfs/dbraw/zinc/45/06/40/601450640.db2.gz XQKICNVFZOWSBN-ZDUSSCGKSA-N -1 0 378.384 3.430 20 30 GGEDRM Cc1nc(SCC(=O)N2CCc3ccccc3[C@@H]2C(=O)[O-])c(C#N)c(C)c1C ZINC000610846498 601490452 /nfs/dbraw/zinc/49/04/52/601490452.db2.gz JPBRLYVUJRJJRN-LJQANCHMSA-N -1 0 395.484 3.181 20 30 GGEDRM Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@H](CC(=O)[O-])C2CC2)cc1C ZINC000832907972 601524974 /nfs/dbraw/zinc/52/49/74/601524974.db2.gz CNRFKVOOXLHVLY-GOSISDBHSA-N -1 0 380.448 3.064 20 30 GGEDRM Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCc3ccccc3[C@@H]2C(=O)[O-])c1 ZINC000832875718 601548321 /nfs/dbraw/zinc/54/83/21/601548321.db2.gz FHFLEGYPGNFDQC-JOCHJYFZSA-N -1 0 391.471 3.234 20 30 GGEDRM C=CCc1cc([N+](=O)[O-])ccc1OS(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1 ZINC000825705317 601568976 /nfs/dbraw/zinc/56/89/76/601568976.db2.gz BWWBLIQGPMANDU-UHFFFAOYSA-N -1 0 399.327 3.067 20 30 GGEDRM Cc1c(C)n(C2CCCCC2)c(NC(=O)CN2CCCC[C@@H]2C(=O)[O-])c1C#N ZINC000832850013 601576408 /nfs/dbraw/zinc/57/64/08/601576408.db2.gz WTNRPGNFAKTVPQ-GOSISDBHSA-N -1 0 386.496 3.359 20 30 GGEDRM Cc1c(C(=O)[O-])c2cc(OS(=O)(=O)c3cc(C#N)ccc3C)ccc2n1C ZINC000832910651 601585447 /nfs/dbraw/zinc/58/54/47/601585447.db2.gz XZFCHVVSLNGVFJ-UHFFFAOYSA-N -1 0 384.413 3.133 20 30 GGEDRM N#Cc1ccc([C@@H](OC(=O)[C@@H](O)c2cc(Cl)cc(Cl)c2)C(=O)[O-])cc1 ZINC000833071141 601610883 /nfs/dbraw/zinc/61/08/83/601610883.db2.gz CUZPRHCDPCCHLS-LSDHHAIUSA-N -1 0 380.183 3.268 20 30 GGEDRM N#Cc1cc(F)c(C(=O)N2CCc3[nH]c4ccc(C(=O)[O-])cc4c3C2)c(F)c1 ZINC000833068598 601656293 /nfs/dbraw/zinc/65/62/93/601656293.db2.gz DCXIVKRBUFFAKB-UHFFFAOYSA-N -1 0 381.338 3.214 20 30 GGEDRM N#CCCN(C(=O)CCC(=O)N1CCc2cc(C(=O)[O-])ccc21)c1ccccc1 ZINC000833065395 601658200 /nfs/dbraw/zinc/65/82/00/601658200.db2.gz AKRHCALQDCTYQT-UHFFFAOYSA-N -1 0 391.427 3.001 20 30 GGEDRM COC[C@@](C)(CC(=O)[O-])NC(=O)c1ccc(Oc2ccc(C#N)cc2C)cc1 ZINC000831568012 601679112 /nfs/dbraw/zinc/67/91/12/601679112.db2.gz 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Cc1nn(CCC#N)c(C)c1CCC(=O)OCc1cc(C(=O)[O-])sc1C ZINC000833015222 601723781 /nfs/dbraw/zinc/72/37/81/601723781.db2.gz ALSFBQLIDNIKDS-UHFFFAOYSA-N -1 0 375.450 3.158 20 30 GGEDRM N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1nnc(CCCC(=O)[O-])s1 ZINC000833064176 601726061 /nfs/dbraw/zinc/72/60/61/601726061.db2.gz GASAYQTZIIVHHS-HUUCEWRRSA-N -1 0 399.476 3.249 20 30 GGEDRM N#Cc1ccccc1Oc1ccc(NC(=O)N2CCO[C@@H](CC(=O)[O-])C2)cc1F ZINC000833076776 601729581 /nfs/dbraw/zinc/72/95/81/601729581.db2.gz PGVULVYSUGEPRE-HNNXBMFYSA-N -1 0 399.378 3.197 20 30 GGEDRM N#Cc1ccc(Oc2ccc(C(=O)N[C@H](C(=O)[O-])c3ccccc3F)cc2)nc1 ZINC000833070980 601743397 /nfs/dbraw/zinc/74/33/97/601743397.db2.gz DWHIRPJENUCQHY-IBGZPJMESA-N -1 0 391.358 3.440 20 30 GGEDRM O=C([O-])c1cccc(C#Cc2cccc(NC(=O)N3CC[C@@]4(CCOC4)C3)c2)c1 ZINC000833327733 601752219 /nfs/dbraw/zinc/75/22/19/601752219.db2.gz YAPTZKAQWBKRSV-HSZRJFAPSA-N -1 0 390.439 3.429 20 30 GGEDRM C=C[C@H](C)NC(=O)Nc1cccc(-c2c(C(=O)[O-])c(C(=O)OC)c3n2CCC3)c1 ZINC000825660182 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GGEDRM Cc1cc(NC(=O)C/N=C/c2cc([N+](=O)[O-])ccc2[O-])ccc1Br ZINC000121483809 1414144344 /nfs/dbraw/zinc/14/43/44/1414144344.db2.gz HNEFWWPAHYWFOD-QGMBQPNBSA-N -1 0 392.209 3.429 20 30 GGEDRM C(=NO[C@H]1CCCCO1)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000823868243 1428784412 /nfs/dbraw/zinc/78/44/12/1428784412.db2.gz SBDDAIXHSDBAKL-IBGZPJMESA-N -1 0 379.420 3.323 20 30 GGEDRM CC[C@@H](NC(=O)c1cc(C#N)c(SC)[n-]c1=O)c1ccccc1OC(F)F ZINC000121640226 1414209579 /nfs/dbraw/zinc/20/95/79/1414209579.db2.gz NRWITPDEZHUUJE-CYBMUJFWSA-N -1 0 393.415 3.451 20 30 GGEDRM C=CCn1c(=O)c2ccc(C(=O)Nc3ccnn3CCCC)cc2[n-]c1=S ZINC000121663244 1414216071 /nfs/dbraw/zinc/21/60/71/1414216071.db2.gz VZWGKTHFQPGSMU-UHFFFAOYSA-N -1 0 383.477 3.494 20 30 GGEDRM CCn1c(=O)c2ccc(C(=O)N[C@@H](C)c3ccc(C#N)cc3)cc2[n-]c1=S ZINC000121682010 1414221718 /nfs/dbraw/zinc/22/17/18/1414221718.db2.gz GDIZLCIPZSSROK-LBPRGKRZSA-N -1 0 378.457 3.068 20 30 GGEDRM C=CCn1c(=O)c2ccc(C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)cc2[n-]c1=S ZINC000121724902 1414237076 /nfs/dbraw/zinc/23/70/76/1414237076.db2.gz MLUFLCHLAPCWTF-UHFFFAOYSA-N -1 0 396.428 3.340 20 30 GGEDRM CN(C)c1ccc(C#N)c([N-]S(=O)(=O)c2cc(Br)ccc2F)c1 ZINC000121743581 1414243321 /nfs/dbraw/zinc/24/33/21/1414243321.db2.gz RBIKXEZMWSYETJ-UHFFFAOYSA-N -1 0 398.257 3.327 20 30 GGEDRM CC(C)NC(=O)C(C#N)=C([O-])c1csc(-c2ccc(Br)s2)n1 ZINC000121764805 1414250288 /nfs/dbraw/zinc/25/02/88/1414250288.db2.gz XUYKYWPDXZIQMS-MRVPVSSYSA-N -1 0 398.307 3.481 20 30 GGEDRM COc1ccc(-c2csc(C(C#N)=C([O-])c3cc(C(N)=O)cs3)n2)cc1 ZINC000121847828 1414277083 /nfs/dbraw/zinc/27/70/83/1414277083.db2.gz HMEKRMKHVHRDEX-ZDUSSCGKSA-N -1 0 383.454 3.469 20 30 GGEDRM Cc1noc(C)c1S(=O)(=O)[N-]c1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000121944325 1414316821 /nfs/dbraw/zinc/31/68/21/1414316821.db2.gz KLYBIGBAHUKTDP-UHFFFAOYSA-N -1 0 396.428 3.216 20 30 GGEDRM Cc1ccccc1NC(=O)[C@H](C#N)c1nc(=O)c2c3c(sc2[nH]1)CCCC3 ZINC000121990544 1414333297 /nfs/dbraw/zinc/33/32/97/1414333297.db2.gz RBMIJUCBWUFLES-CYBMUJFWSA-N -1 0 378.457 3.418 20 30 GGEDRM CCn1c(=O)c2ccc(C(=O)[C@@H](C#N)c3nc4ccccc4[nH]3)cc2[n-]c1=S ZINC000122041513 1414347084 /nfs/dbraw/zinc/34/70/84/1414347084.db2.gz XGMBITKQGMRDTJ-CYBMUJFWSA-N -1 0 389.440 3.071 20 30 GGEDRM C#CCOc1ccc(F)cc1NC(=O)C(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000122067575 1414354242 /nfs/dbraw/zinc/35/42/42/1414354242.db2.gz PYKNVRAFMXEEAB-UHFFFAOYSA-N -1 0 397.189 3.427 20 30 GGEDRM C#CCOc1cccc(NC(=O)C(=O)Nc2cc(Cl)c([O-])c(Cl)c2)c1 ZINC000122114245 1414365897 /nfs/dbraw/zinc/36/58/97/1414365897.db2.gz UQODBSKGTXKLJJ-UHFFFAOYSA-N -1 0 379.199 3.288 20 30 GGEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)C1CCN(c2cnccn2)CC1 ZINC000177589807 1428804853 /nfs/dbraw/zinc/80/48/53/1428804853.db2.gz MZWLOSNOJRJPLT-KRWDZBQOSA-N -1 0 387.443 3.075 20 30 GGEDRM CCOC(=O)c1cc(C([O-])=C(C#N)c2nc3ccccc3n2C)cc([N+](=O)[O-])c1 ZINC000122259998 1414404722 /nfs/dbraw/zinc/40/47/22/1414404722.db2.gz MNMXCKMOEUEWES-OAHLLOKOSA-N -1 0 392.371 3.148 20 30 GGEDRM Cc1ccc(C([O-])=C(C#N)C(=O)NC(C)C)cc1NC(=O)Nc1ccccc1 ZINC000122306597 1414419254 /nfs/dbraw/zinc/41/92/54/1414419254.db2.gz UWKSCUUWKMNGME-QGZVFWFLSA-N -1 0 378.432 3.486 20 30 GGEDRM Cc1nc(-c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3OCC#N)cc2)co1 ZINC000122341845 1414428539 /nfs/dbraw/zinc/42/85/39/1414428539.db2.gz HZRCXUVVAIOPEX-UHFFFAOYSA-N -1 0 387.392 3.492 20 30 GGEDRM C[C@@H](C#N)CNC(=O)c1ccccc1SCc1ccc(-c2nn[n-]n2)cc1 ZINC000735506280 1428807718 /nfs/dbraw/zinc/80/77/18/1428807718.db2.gz UWWMMEGJLWQDQY-ZDUSSCGKSA-N -1 0 378.461 3.048 20 30 GGEDRM CC(C)(C)[C@H](C#N)NC(=O)Cc1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000122352562 1414432290 /nfs/dbraw/zinc/43/22/90/1414432290.db2.gz AGPDLGTWTVMUKB-HNNXBMFYSA-N -1 0 391.518 3.146 20 30 GGEDRM N#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000122361286 1414434547 /nfs/dbraw/zinc/43/45/47/1414434547.db2.gz ICLNVEBOIFNYMW-UHFFFAOYSA-N -1 0 399.325 3.419 20 30 GGEDRM Cc1cc(C#N)ccc1C(=O)OCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000826257163 1428809468 /nfs/dbraw/zinc/80/94/68/1428809468.db2.gz QCIHPWFIOJSUDT-UHFFFAOYSA-N -1 0 385.330 3.005 20 30 GGEDRM C[C@@H](Cc1ccccc1F)C(=O)[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000122436384 1414459569 /nfs/dbraw/zinc/45/95/69/1414459569.db2.gz BXKGSVGZACLSHM-NSHDSACASA-N -1 0 380.828 3.034 20 30 GGEDRM CC(C)(C)[C@@H](C#N)NC(=O)CCCCCn1c(=O)c2ccccc2[n-]c1=S ZINC000122443302 1414461898 /nfs/dbraw/zinc/46/18/98/1414461898.db2.gz ZIYLIRJTVOIWRR-MRXNPFEDSA-N -1 0 386.521 3.300 20 30 GGEDRM COc1cc([N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)cc(OC)c1 ZINC000177619938 1428813052 /nfs/dbraw/zinc/81/30/52/1428813052.db2.gz HDKIKXHTIUOEEC-UHFFFAOYSA-N -1 0 386.351 3.395 20 30 GGEDRM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)c1 ZINC000177619996 1428813300 /nfs/dbraw/zinc/81/33/00/1428813300.db2.gz FNTXDOVBNFKNGM-UHFFFAOYSA-N -1 0 386.351 3.395 20 30 GGEDRM Cn1ccnc1C([O-])=C(C#N)C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 ZINC000122718005 1414547089 /nfs/dbraw/zinc/54/70/89/1414547089.db2.gz HTEZLQOZBWFIAH-CQSZACIVSA-N -1 0 382.807 3.253 20 30 GGEDRM Cn1ccnc1C([O-])=C(C#N)C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 ZINC000122717765 1414547129 /nfs/dbraw/zinc/54/71/29/1414547129.db2.gz HTEZLQOZBWFIAH-AWEZNQCLSA-N -1 0 382.807 3.253 20 30 GGEDRM Cn1ccnc1C(=O)C(C#N)=C([O-])c1cccc(COc2ccccc2C#N)c1 ZINC000122743703 1414554095 /nfs/dbraw/zinc/55/40/95/1414554095.db2.gz XHKDCSZWVXAIFT-GOSISDBHSA-N -1 0 384.395 3.076 20 30 GGEDRM Cc1ccc(OCc2ccc(C([O-])=C(C#N)C(=O)c3nccn3C)o2)c(C)c1 ZINC000122782527 1414563956 /nfs/dbraw/zinc/56/39/56/1414563956.db2.gz APVYNGNOKPPBDW-INIZCTEOSA-N -1 0 377.400 3.414 20 30 GGEDRM Cn1ccnc1C([O-])=C(C#N)C(=O)COc1cc(Cl)c(Cl)cc1Cl ZINC000122830162 1414575832 /nfs/dbraw/zinc/57/58/32/1414575832.db2.gz YDKCYKAODFADOS-QMMMGPOBSA-N -1 0 386.622 3.351 20 30 GGEDRM CCCOc1c(Cl)cc(C([O-])=C(C#N)C(=O)c2nccn2C)cc1OCC ZINC000122843828 1414578868 /nfs/dbraw/zinc/57/88/68/1414578868.db2.gz RJDVYJSXESDFMC-ZDUSSCGKSA-N -1 0 389.839 3.466 20 30 GGEDRM CCOc1ccc(-c2nc(CC(=O)C(C#N)=C([O-])c3nccn3C)cs2)cc1 ZINC000122850998 1414580135 /nfs/dbraw/zinc/58/01/35/1414580135.db2.gz ZBAHNKANMCHFDX-INIZCTEOSA-N -1 0 394.456 3.077 20 30 GGEDRM Cc1nn(-c2ccc(C([O-])=C(C#N)C(=O)c3nccn3C)cc2)c(C)c1Cl ZINC000122853953 1414581080 /nfs/dbraw/zinc/58/10/80/1414581080.db2.gz SIIYYCGKOKDLJL-OAHLLOKOSA-N -1 0 381.823 3.081 20 30 GGEDRM CCCOc1c(Cl)cc(C([O-])=C(C#N)C(=O)c2nccn2C)cc1OC ZINC000122906127 1414593850 /nfs/dbraw/zinc/59/38/50/1414593850.db2.gz GBWBFURGBBLKPR-GFCCVEGCSA-N -1 0 375.812 3.076 20 30 GGEDRM Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)C(C#N)=C([O-])c1nccn1C ZINC000122948965 1414603832 /nfs/dbraw/zinc/60/38/32/1414603832.db2.gz HRVVSFDXRYNPOC-QGZVFWFLSA-N -1 0 395.850 3.010 20 30 GGEDRM C[C@H](Sc1ccc(Br)cc1)C(=O)C(C#N)=C([O-])c1nccn1C ZINC000123059944 1414630259 /nfs/dbraw/zinc/63/02/59/1414630259.db2.gz WQSNAAGGANGJFM-GWCFXTLKSA-N -1 0 392.278 3.255 20 30 GGEDRM CCn1ncc2c1nc(-c1ccccc1)cc2C([O-])=C(C#N)C(=O)c1nccn1C ZINC000123089527 1414638367 /nfs/dbraw/zinc/63/83/67/1414638367.db2.gz OJDCWRTUFWQFSF-MRXNPFEDSA-N -1 0 398.426 3.057 20 30 GGEDRM C[C@H](Oc1ccccc1Cc1ccccc1)C(=O)C(C#N)=C([O-])c1nccn1C ZINC000123110741 1414644349 /nfs/dbraw/zinc/64/43/49/1414644349.db2.gz PFDQLQSSJMOFQZ-QFBILLFUSA-N -1 0 387.439 3.370 20 30 GGEDRM Cn1ccnc1C(=O)C(C#N)=C([O-])c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O ZINC000123117218 1414646058 /nfs/dbraw/zinc/64/60/58/1414646058.db2.gz ONFIZVAHHJOCNI-OALUTQOASA-N -1 0 399.406 3.080 20 30 GGEDRM Cn1ccnc1C(=O)C(C#N)=C([O-])c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O ZINC000123116966 1414646151 /nfs/dbraw/zinc/64/61/51/1414646151.db2.gz ONFIZVAHHJOCNI-RTBURBONSA-N -1 0 399.406 3.080 20 30 GGEDRM Cn1ccnc1C([O-])=C(C#N)C(=O)Cc1csc(-c2ccccc2Cl)n1 ZINC000123188224 1414663874 /nfs/dbraw/zinc/66/38/74/1414663874.db2.gz ZTZLLHFSBJMHGH-CYBMUJFWSA-N -1 0 384.848 3.331 20 30 GGEDRM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3nn(C(C)(C)C)cc3C#N)cc(Cl)c2O1 ZINC000123198407 1414666227 /nfs/dbraw/zinc/66/62/27/1414666227.db2.gz UZYGJLRNBILBFK-SNVBAGLBSA-N -1 0 394.884 3.287 20 30 GGEDRM Cc1[nH]c2ccc(Br)cc2c1CC(=O)C(C#N)=C([O-])c1nccn1C ZINC000123213728 1414669584 /nfs/dbraw/zinc/66/95/84/1414669584.db2.gz BNTMVHXMORPDTI-CQSZACIVSA-N -1 0 399.248 3.107 20 30 GGEDRM Cc1cc(Cl)c(S(=O)(=O)[N-]c2nn(C(C)(C)C)cc2C#N)cc1[N+](=O)[O-] ZINC000123223801 1414672041 /nfs/dbraw/zinc/67/20/41/1414672041.db2.gz QAZDBFRHDFJUBP-UHFFFAOYSA-N -1 0 397.844 3.181 20 30 GGEDRM CC(C)(C)n1cc(C#N)c([N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)n1 ZINC000123233798 1414674409 /nfs/dbraw/zinc/67/44/09/1414674409.db2.gz AKNBEEQERNKCLP-UHFFFAOYSA-N -1 0 397.382 3.201 20 30 GGEDRM Cn1ccnc1C([O-])=C(C#N)C(=O)CCCc1ccc(Br)s1 ZINC000123263574 1414681590 /nfs/dbraw/zinc/68/15/90/1414681590.db2.gz HIJLPIGEYVMSAQ-LLVKDONJSA-N -1 0 380.267 3.159 20 30 GGEDRM C[C@H](Cc1ccc(F)c(Br)c1)C(=O)C(C#N)=C([O-])c1nccn1C ZINC000123379910 1414711438 /nfs/dbraw/zinc/71/14/38/1414711438.db2.gz HGOURYPIOSCEFY-ZYHUDNBSSA-N -1 0 392.228 3.092 20 30 GGEDRM Cc1ccccc1-n1nc(C([O-])=C(C#N)C(=O)NC2CCCC2)c2c1CCC2 ZINC000123709771 1414813651 /nfs/dbraw/zinc/81/36/51/1414813651.db2.gz GXLLKPPHOPBRPN-KRWDZBQOSA-N -1 0 376.460 3.051 20 30 GGEDRM Cc1cccc([C@H](C)C(=O)[N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)c1 ZINC000123773715 1414822600 /nfs/dbraw/zinc/82/26/00/1414822600.db2.gz DKJBWVLBUIWFPT-LBPRGKRZSA-N -1 0 396.390 3.494 20 30 GGEDRM CSc1[n-]c(=O)c(C(=O)N(Cc2ccc([C@@H]3C[C@H]3C)o2)C2CC2)cc1C#N ZINC000123829197 1414830695 /nfs/dbraw/zinc/83/06/95/1414830695.db2.gz OSGHXCYQVILLIV-IAQYHMDHSA-N -1 0 383.473 3.490 20 30 GGEDRM N#Cc1cc(F)c(S(=O)(=O)[N-]C[C@@H](c2cccs2)N2CCCC2)c(F)c1 ZINC000124026136 1414872050 /nfs/dbraw/zinc/87/20/50/1414872050.db2.gz UUTILZKOARMHGC-HNNXBMFYSA-N -1 0 397.472 3.013 20 30 GGEDRM N#Cc1cc(F)c(S(=O)(=O)[N-][C@@H](c2ccccc2)c2ccccn2)c(F)c1 ZINC000124030117 1414872433 /nfs/dbraw/zinc/87/24/33/1414872433.db2.gz QLQIHXVVUODTMJ-SFHVURJKSA-N -1 0 385.395 3.299 20 30 GGEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1cc2c(s1)-c1ccccc1CC2 ZINC000124225963 1414913278 /nfs/dbraw/zinc/91/32/78/1414913278.db2.gz JMFJFVCDTHMWJN-QGZVFWFLSA-N -1 0 382.485 3.379 20 30 GGEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1cc2c(s1)-c1ccccc1CC2 ZINC000124225778 1414913293 /nfs/dbraw/zinc/91/32/93/1414913293.db2.gz JMFJFVCDTHMWJN-KRWDZBQOSA-N -1 0 382.485 3.379 20 30 GGEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1cc(C)n(Cc2ccccc2)c1C ZINC000124252589 1414921551 /nfs/dbraw/zinc/92/15/51/1414921551.db2.gz GGRWCHVRUZVMQO-FQEVSTJZSA-N -1 0 381.476 3.019 20 30 GGEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1csc(-c2cccc(Cl)c2)n1 ZINC000124315109 1414936923 /nfs/dbraw/zinc/93/69/23/1414936923.db2.gz NEFUHUPKKUBGEO-CQSZACIVSA-N -1 0 391.880 3.329 20 30 GGEDRM Cc1ccc(-c2cncc(C(=O)[N-]S(=O)(=O)c3ccc(C#N)cc3)c2)cc1 ZINC000124377394 1414952510 /nfs/dbraw/zinc/95/25/10/1414952510.db2.gz ZTVNNZVOVPWJIB-UHFFFAOYSA-N -1 0 377.425 3.047 20 30 GGEDRM CC(C)c1csc(C(C#N)=C([O-])c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)n1 ZINC000177764253 1428852779 /nfs/dbraw/zinc/85/27/79/1428852779.db2.gz HEVFJPZAWVWJBF-CYBMUJFWSA-N -1 0 393.446 3.068 20 30 GGEDRM CCCOc1c(Cl)cc(C([O-])=C(C#N)C(=O)N2CCCC2)cc1OCC ZINC000124508782 1414984068 /nfs/dbraw/zinc/98/40/68/1414984068.db2.gz OGWYQSJRKVWNNM-AWEZNQCLSA-N -1 0 378.856 3.472 20 30 GGEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1ccc(-c2ccc3c(c2)OCCO3)s1 ZINC000124533327 1414988790 /nfs/dbraw/zinc/98/87/90/1414988790.db2.gz ZXHUUJKWHNPSAV-CQSZACIVSA-N -1 0 382.441 3.131 20 30 GGEDRM C=CCn1c(=O)c2ccc(C(=O)N3CCS[C@H]3CCC)cc2[n-]c1=S ZINC000124558136 1414993811 /nfs/dbraw/zinc/99/38/11/1414993811.db2.gz WTRFMLDPIGFTRT-HNNXBMFYSA-N -1 0 375.519 3.186 20 30 GGEDRM COc1ccc(CNC(=O)C(C#N)=C([O-])c2cncc(-c3ccccc3)c2)cc1 ZINC000124595577 1415002282 /nfs/dbraw/zinc/00/22/82/1415002282.db2.gz BKNUISLKJVZYTO-OAQYLSRUSA-N -1 0 385.423 3.396 20 30 GGEDRM COc1cc(S(=O)(=O)[N-]c2ccc(C(C)(C)C#N)cc2)ccc1[N+](=O)[O-] ZINC000124597234 1415002286 /nfs/dbraw/zinc/00/22/86/1415002286.db2.gz DPJMHCPUCKMIEE-UHFFFAOYSA-N -1 0 375.406 3.205 20 30 GGEDRM CC(C)n1ncc2c1nc(-c1ccco1)cc2C([O-])=C(C#N)C(=O)N1CCCC1 ZINC000124622091 1415007740 /nfs/dbraw/zinc/00/77/40/1415007740.db2.gz XCBBDHOPINCNPJ-HNNXBMFYSA-N -1 0 391.431 3.217 20 30 GGEDRM Cc1c(C([O-])=C(C#N)C(=O)N2CCCC2)cnn1-c1cccc(C(F)(F)F)c1 ZINC000124785348 1415043831 /nfs/dbraw/zinc/04/38/31/1415043831.db2.gz ZYKCRFRTIULOSP-OAHLLOKOSA-N -1 0 390.365 3.144 20 30 GGEDRM Cc1cc2cc(C([O-])=C(C#N)C(=O)c3nccn3C)oc2c(Br)c1 ZINC000124801788 1415047298 /nfs/dbraw/zinc/04/72/98/1415047298.db2.gz AXIHURGVEQPTAV-NSHDSACASA-N -1 0 386.205 3.443 20 30 GGEDRM Cc1ccc(C([O-])=C(C#N)C(=O)N2CCCC2)cc1NC(=O)c1ccccc1 ZINC000124822720 1415052761 /nfs/dbraw/zinc/05/27/61/1415052761.db2.gz LARXSJULKCASCB-GOSISDBHSA-N -1 0 375.428 3.192 20 30 GGEDRM CC(C)COC[C@H]([N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)c1ccco1 ZINC000124867319 1415062857 /nfs/dbraw/zinc/06/28/57/1415062857.db2.gz RVFISNIGCXJRDX-HNNXBMFYSA-N -1 0 384.404 3.122 20 30 GGEDRM COCCCNC(=O)C(C#N)=C([O-])c1sc(-c2cccc(Cl)c2)nc1C ZINC000125051710 1415100121 /nfs/dbraw/zinc/10/01/21/1415100121.db2.gz IIECHCGQVXEWRP-CQSZACIVSA-N -1 0 391.880 3.247 20 30 GGEDRM COCCCNC(=O)C(C#N)=C([O-])c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000125102403 1415109175 /nfs/dbraw/zinc/10/91/75/1415109175.db2.gz TVAOFBMODYOZRR-GFCCVEGCSA-N -1 0 396.287 3.199 20 30 GGEDRM Cc1c(NC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)cccc1-c1nn[n-]n1 ZINC000822084816 1428866750 /nfs/dbraw/zinc/86/67/50/1428866750.db2.gz PURFFZXWKHYZLB-MJGOQNOKSA-N -1 0 387.447 3.479 20 30 GGEDRM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1c(F)cc(NC(C)=O)cc1F ZINC000125259388 1415144957 /nfs/dbraw/zinc/14/49/57/1415144957.db2.gz KMCZTJYRMVIUFC-UHFFFAOYSA-N -1 0 394.403 3.027 20 30 GGEDRM Cc1cccn2c(/C=C/C(=O)c3ccc([O-])c(CN4CCOCC4)c3)cnc12 ZINC000125313848 1415161550 /nfs/dbraw/zinc/16/15/50/1415161550.db2.gz HLLPYAOHXZZIEO-FNORWQNLSA-N -1 0 377.444 3.077 20 30 GGEDRM CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1F ZINC000177846391 1428871309 /nfs/dbraw/zinc/87/13/09/1428871309.db2.gz FBYRNADEQYNTCY-UHFFFAOYSA-N -1 0 379.369 3.114 20 30 GGEDRM Cc1nc(-c2cccs2)sc1C([O-])=C(C#N)C(=O)NCCCOC(C)C 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O=C(C#Cc1ccccc1)Nc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000822912279 1428921710 /nfs/dbraw/zinc/92/17/10/1428921710.db2.gz USIPMQMPKBVIIJ-UHFFFAOYSA-N -1 0 395.422 3.436 20 30 GGEDRM C[C@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000820673987 1428918377 /nfs/dbraw/zinc/91/83/77/1428918377.db2.gz AIDJPRCRAMAGIU-BIWSTMPVSA-N -1 0 384.509 3.278 20 30 GGEDRM C[C@@H](Sc1cccc(Cl)c1-c1nn[n-]n1)C(=O)NC1(C#N)CCCCC1 ZINC000824753585 1428921139 /nfs/dbraw/zinc/92/11/39/1428921139.db2.gz FHGWVEQSHLVONI-LLVKDONJSA-N -1 0 390.900 3.343 20 30 GGEDRM CNC(=O)C(C#N)=C([O-])c1cn(CCOc2ccccc2Cl)c2ccccc12 ZINC000126265695 1415398237 /nfs/dbraw/zinc/39/82/37/1415398237.db2.gz ZKSWNGSYEVAJTD-OAHLLOKOSA-N -1 0 395.846 3.442 20 30 GGEDRM C[C@@H](NC(=O)N(Cc1ccc(C#N)cc1)C1CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820339821 1428914680 /nfs/dbraw/zinc/91/46/80/1428914680.db2.gz GTIJBQHPQYSGKJ-CQSZACIVSA-N -1 0 387.447 3.174 20 30 GGEDRM N#Cc1cc(F)ccc1[N-]S(=O)(=O)c1cc(Br)cnc1Cl ZINC000126355946 1415425623 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ZINC000823873006 1428981524 /nfs/dbraw/zinc/98/15/24/1428981524.db2.gz GQTFAGZCTCUMFE-SFHVURJKSA-N -1 0 381.436 3.364 20 30 GGEDRM N#Cc1ccc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3nccs3)c2)cc1 ZINC000178101430 1428981696 /nfs/dbraw/zinc/98/16/96/1428981696.db2.gz RSEKUAKZIAGVRS-UHFFFAOYSA-N -1 0 384.442 3.068 20 30 GGEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1nn(-c2ccccc2F)c2c1CCC2 ZINC000127411993 1415770336 /nfs/dbraw/zinc/77/03/36/1415770336.db2.gz BOUIXOFTFRRDCY-INIZCTEOSA-N -1 0 394.450 3.271 20 30 GGEDRM Cc1ccc(-n2nc(C([O-])=C(C#N)C(=O)NC3CCCCC3)c3c2CCC3)cc1 ZINC000127412482 1415770617 /nfs/dbraw/zinc/77/06/17/1415770617.db2.gz XIACLLOQPKAORK-IBGZPJMESA-N -1 0 390.487 3.441 20 30 GGEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)CCc2ccccc2)c(C(F)(F)F)c1 ZINC000127471221 1415792152 /nfs/dbraw/zinc/79/21/52/1415792152.db2.gz SNFCIEUVKCSVMU-UHFFFAOYSA-N -1 0 382.363 3.015 20 30 GGEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)C2(c3ccc(F)cc3F)CCCC2)cc1 ZINC000127497158 1415801195 /nfs/dbraw/zinc/80/11/95/1415801195.db2.gz 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N#CC(C(=O)NC1CCCCC1)=C([O-])c1ccc(-n2cnc3ccccc32)nc1 ZINC000128427900 1415984512 /nfs/dbraw/zinc/98/45/12/1415984512.db2.gz CJVMGBPDTIEOFI-QGZVFWFLSA-N -1 0 387.443 3.192 20 30 GGEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1ccc(-n2cnc3ccccc32)nc1 ZINC000128428117 1415984659 /nfs/dbraw/zinc/98/46/59/1415984659.db2.gz CJVMGBPDTIEOFI-KRWDZBQOSA-N -1 0 387.443 3.192 20 30 GGEDRM C#Cc1cccc([N-]S(=O)(=O)c2cc(OC)c(Br)cc2OC)c1 ZINC000128521063 1416005300 /nfs/dbraw/zinc/00/53/00/1416005300.db2.gz ZJXNXPQKSMVUCJ-UHFFFAOYSA-N -1 0 396.262 3.248 20 30 GGEDRM CC(=O)Nc1nc(C([O-])=C(C#N)C(=O)Nc2cccc3ccccc32)cs1 ZINC000128763530 1416062109 /nfs/dbraw/zinc/06/21/09/1416062109.db2.gz ODEXLTQRZSKTHA-AWEZNQCLSA-N -1 0 378.413 3.216 20 30 GGEDRM N#Cc1cc(F)c(S(=O)(=O)[N-]c2cccc(N3CCCCC3=O)c2)c(F)c1 ZINC000128797528 1416071809 /nfs/dbraw/zinc/07/18/09/1416071809.db2.gz BZBGCXGCWHGCDK-UHFFFAOYSA-N -1 0 391.399 3.154 20 30 GGEDRM CCN(Cc1cccc([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)c1)C(C)=O ZINC000128829385 1416079358 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N#CC(C(=O)NC1CC1)=C([O-])c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1 ZINC000129484795 1416217278 /nfs/dbraw/zinc/21/72/78/1416217278.db2.gz UFEADGCNCZKROD-HNNXBMFYSA-N -1 0 394.818 3.387 20 30 GGEDRM O=S(=O)(C[C@H](O)C/N=C/c1cc(Cl)cc(Cl)c1[O-])c1cccs1 ZINC000129598816 1416235138 /nfs/dbraw/zinc/23/51/38/1416235138.db2.gz BBGASGPPFDBNPU-LDFGVUFUSA-N -1 0 394.301 3.014 20 30 GGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cc(Br)cc([N+](=O)[O-])c1 ZINC000129656988 1416244044 /nfs/dbraw/zinc/24/40/44/1416244044.db2.gz FINKQRDXKKNLJO-CQSZACIVSA-N -1 0 396.241 3.376 20 30 GGEDRM COCCCNC(=O)C(C#N)=C([O-])c1ccc(N2CCCc3ccccc32)cc1 ZINC000129655874 1416244205 /nfs/dbraw/zinc/24/42/05/1416244205.db2.gz YLYWWUCTQMXPDF-FQEVSTJZSA-N -1 0 391.471 3.246 20 30 GGEDRM N#Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(N3CCSCC3)cc2)c(F)c1 ZINC000130079815 1416313806 /nfs/dbraw/zinc/31/38/06/1416313806.db2.gz JWONCRUJGMBZAL-UHFFFAOYSA-N -1 0 395.456 3.190 20 30 GGEDRM Cc1cc(C)n(-c2cccc([N-]S(=O)(=O)c3ccc(C#N)cc3[N+](=O)[O-])c2)n1 ZINC000130338948 1416360915 /nfs/dbraw/zinc/36/09/15/1416360915.db2.gz XDBFKMIPGZPLFM-UHFFFAOYSA-N -1 0 397.416 3.070 20 30 GGEDRM CC[C@@H](C)Oc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2[N+](=O)[O-])cc1 ZINC000130361714 1416364684 /nfs/dbraw/zinc/36/46/84/1416364684.db2.gz RXUOMNIOTPCMIG-GFCCVEGCSA-N -1 0 375.406 3.445 20 30 GGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C(F)(F)F)c2)c([N+](=O)[O-])c1 ZINC000130368836 1416366153 /nfs/dbraw/zinc/36/61/53/1416366153.db2.gz PTKADSYOVAKJRL-UHFFFAOYSA-N -1 0 389.286 3.425 20 30 GGEDRM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2[N+](=O)[O-])cc1OC(F)F ZINC000130424350 1416375793 /nfs/dbraw/zinc/37/57/93/1416375793.db2.gz VJCUOKVCOVGYTC-UHFFFAOYSA-N -1 0 383.332 3.177 20 30 GGEDRM CSc1[n-]c(=O)c(C(=O)Nc2ccc(-n3nc(C)cc3C)c(F)c2)cc1C#N ZINC000130656627 1416418587 /nfs/dbraw/zinc/41/85/87/1416418587.db2.gz IFAOXDKDARYKDS-UHFFFAOYSA-N -1 0 397.435 3.162 20 30 GGEDRM CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(F)cc2OCC#N)c1 ZINC000130926406 1416482359 /nfs/dbraw/zinc/48/23/59/1416482359.db2.gz PGJMFMLWTQKIDR-UHFFFAOYSA-N -1 0 382.800 3.385 20 30 GGEDRM Cc1ccc(Nc2cccc(C([O-])=C(C#N)C(=O)NCc3ccccc3)c2)nn1 ZINC000130986512 1416491916 /nfs/dbraw/zinc/49/19/16/1416491916.db2.gz BYOXQKIEIORKSG-LJQANCHMSA-N -1 0 385.427 3.168 20 30 GGEDRM CC(C)(C(=O)[N-]S(=O)(=O)Cc1cccc(C#N)c1)c1cccc(Cl)c1 ZINC000131168937 1416518887 /nfs/dbraw/zinc/51/88/87/1416518887.db2.gz XIKIZBBFPXUVDG-UHFFFAOYSA-N -1 0 376.865 3.135 20 30 GGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(-c3cccnc3)[nH]n2)cc1C(F)(F)F ZINC000131337118 1416542036 /nfs/dbraw/zinc/54/20/36/1416542036.db2.gz FPDVHBFNDQXJJF-UHFFFAOYSA-N -1 0 393.350 3.163 20 30 GGEDRM Cc1ccc(Cc2nc(C([O-])=C(C#N)C(=O)Nc3ccccn3)cs2)cc1 ZINC000131410362 1416553124 /nfs/dbraw/zinc/55/31/24/1416553124.db2.gz KCMSRJIXGZKSOR-HNNXBMFYSA-N -1 0 376.441 3.399 20 30 GGEDRM C=C[C@H](CC(=O)[N-]S(=O)(=O)c1cnn(Cc2ccccc2)c1)c1ccccc1 ZINC000131499809 1416566995 /nfs/dbraw/zinc/56/69/95/1416566995.db2.gz PHAKZFGWSVUXFM-GOSISDBHSA-N -1 0 395.484 3.096 20 30 GGEDRM C=CCN(CC=C)C(=O)c1ccc([N-]S(=O)(=O)c2cn(C(C)C)cn2)cc1 ZINC000131802188 1416625081 /nfs/dbraw/zinc/62/50/81/1416625081.db2.gz FKBLSVQDRYEYON-UHFFFAOYSA-N -1 0 388.493 3.079 20 30 GGEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1ccc(Br)c(C(F)(F)F)c1 ZINC000131954590 1416658380 /nfs/dbraw/zinc/65/83/80/1416658380.db2.gz ORDOGYJBOQFKJE-JTQLQIEISA-N -1 0 389.171 3.413 20 30 GGEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1ccc(Sc2ccccc2Cl)nn1 ZINC000131953505 1416658443 /nfs/dbraw/zinc/65/84/43/1416658443.db2.gz AUUCUPUOUUWDTF-GFCCVEGCSA-N -1 0 386.864 3.226 20 30 GGEDRM COC(=O)c1ccc(C([O-])=C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)o1 ZINC000132659947 1416801073 /nfs/dbraw/zinc/80/10/73/1416801073.db2.gz VKVQJIRHTPOEBE-LLVKDONJSA-N -1 0 381.171 3.334 20 30 GGEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1cncc(-c2ccc3c(c2)CCO3)c1 ZINC000132691850 1416804566 /nfs/dbraw/zinc/80/45/66/1416804566.db2.gz IMRRYCONYANUPN-IBGZPJMESA-N -1 0 375.428 3.065 20 30 GGEDRM O=S(=O)([N-]c1ccccc1C#Cc1ccccc1)c1cnn([C@H]2CCOC2)c1 ZINC000132815056 1416818575 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ZINC000136100360 1417291625 /nfs/dbraw/zinc/29/16/25/1417291625.db2.gz XMICMWBJGIQSBH-MRXNPFEDSA-N -1 0 381.457 3.084 20 30 GGEDRM CCc1ccc(S(C)(=O)=O)cc1C([O-])=C(C#N)c1nc2ccccc2n1C ZINC000136100487 1417292319 /nfs/dbraw/zinc/29/23/19/1417292319.db2.gz FZJLZKSEMNCCQC-MRXNPFEDSA-N -1 0 381.457 3.029 20 30 GGEDRM N#Cc1ccc(C(=O)NCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)cc1 ZINC000826384141 1429175448 /nfs/dbraw/zinc/17/54/48/1429175448.db2.gz IKJQZZUBWHLUJA-UHFFFAOYSA-N -1 0 380.411 3.335 20 30 GGEDRM COc1cc(C([O-])=C(C#N)C(=O)NCc2ccccc2)sc1Br ZINC000136565797 1417327038 /nfs/dbraw/zinc/32/70/38/1417327038.db2.gz XXHHQTRRRNEYOH-NSHDSACASA-N -1 0 393.262 3.158 20 30 GGEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1ccc(C(=O)Nc2ccccc2)cc1 ZINC000136879366 1417352009 /nfs/dbraw/zinc/35/20/09/1417352009.db2.gz NTXOHPSHUUPSDB-LJQANCHMSA-N -1 0 375.428 3.320 20 30 GGEDRM C=CCn1c(=O)c2ccc(C(=O)NCc3ccc(C)cc3OC)cc2[n-]c1=S ZINC000136976358 1417359647 /nfs/dbraw/zinc/35/96/47/1417359647.db2.gz DALOVKVKXWSLPW-UHFFFAOYSA-N 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Cc1cccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CCCCC3)c2)c1C#N ZINC000137288593 1417379365 /nfs/dbraw/zinc/37/93/65/1417379365.db2.gz UDELOVRSAWHRQJ-UHFFFAOYSA-N -1 0 383.473 3.294 20 30 GGEDRM Cc1cccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CCCC3)c2C)c1C#N ZINC000137383811 1417382573 /nfs/dbraw/zinc/38/25/73/1417382573.db2.gz PBRPODNLIVNAHX-UHFFFAOYSA-N -1 0 383.473 3.212 20 30 GGEDRM Cc1cccc(S(=O)(=O)[N-]c2ccc(-c3nnc4n3CCCC4)cc2)c1C#N ZINC000137487099 1417387638 /nfs/dbraw/zinc/38/76/38/1417387638.db2.gz DVALLCIIDQCWKT-UHFFFAOYSA-N -1 0 393.472 3.262 20 30 GGEDRM CCCCCCC[C@@]1(C)NC(=O)N([N-]C(=O)c2cc(C)cc([N+](=O)[O-])c2)C1=O ZINC000139716494 1417470448 /nfs/dbraw/zinc/47/04/48/1417470448.db2.gz XHOYIPISOWGXEC-LJQANCHMSA-N -1 0 390.440 3.219 20 30 GGEDRM C#Cc1cccc(NC(=O)c2ccc3c(c2)[n-]c(=S)n(CCCOC)c3=O)c1 ZINC000139739764 1417471379 /nfs/dbraw/zinc/47/13/79/1417471379.db2.gz JDFNCEFYAVEZOQ-UHFFFAOYSA-N -1 0 393.468 3.329 20 30 GGEDRM CCCCCCCCC(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000139752933 1417472191 /nfs/dbraw/zinc/47/21/91/1417472191.db2.gz WVCPSCMJZCVMNP-UHFFFAOYSA-N -1 0 387.414 3.059 20 30 GGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000140219851 1417492824 /nfs/dbraw/zinc/49/28/24/1417492824.db2.gz QXHYAQVRXOIRBH-SFHVURJKSA-N -1 0 390.505 3.032 20 30 GGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000140222759 1417493344 /nfs/dbraw/zinc/49/33/44/1417493344.db2.gz WVRKZJCGQUIBFZ-CQSZACIVSA-N -1 0 386.433 3.347 20 30 GGEDRM O=C(CSCc1ccc(-c2nn[n-]n2)cc1)OCC#Cc1ccccc1Cl ZINC000826420526 1429193036 /nfs/dbraw/zinc/19/30/36/1429193036.db2.gz QRKRKFXHTQZTKX-UHFFFAOYSA-N -1 0 398.875 3.348 20 30 GGEDRM CCOc1cc(-c2nn[n-]n2)ccc1OCc1ccc(C#N)cc1OC(F)F ZINC000821395372 1429195728 /nfs/dbraw/zinc/19/57/28/1429195728.db2.gz XQESPCGLHNYISM-UHFFFAOYSA-N -1 0 387.346 3.317 20 30 GGEDRM C=CC[C@@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1Br)C(=O)[O-] ZINC000150188804 1417786482 /nfs/dbraw/zinc/78/64/82/1417786482.db2.gz DTUONTBFUDHGBK-GZMMTYOYSA-N -1 0 376.634 3.015 20 30 GGEDRM Cn1c2cccc(C([O-])=C(C#N)c3nc4ccccc4n3C(F)F)c2oc1=O ZINC000178882594 1429209797 /nfs/dbraw/zinc/20/97/97/1429209797.db2.gz AUGDKRJRJDMRLQ-NSHDSACASA-N -1 0 382.326 3.366 20 30 GGEDRM N#CC(=C([O-])C=CSCc1ccco1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000150921979 1417835793 /nfs/dbraw/zinc/83/57/93/1417835793.db2.gz ZQGXKDWWMWULBD-TUPIDYKKSA-N -1 0 392.444 3.414 20 30 GGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3[nH]c(-c4ccccn4)nc3c2)c(F)c1 ZINC000150970232 1417845742 /nfs/dbraw/zinc/84/57/42/1417845742.db2.gz ILUDEZJTUIHQAU-UHFFFAOYSA-N -1 0 393.403 3.436 20 30 GGEDRM N#Cc1ccccc1COc1cccc(C(=O)[N-]S(=O)(=O)C2CCCC2)c1 ZINC000151144883 1417881671 /nfs/dbraw/zinc/88/16/71/1417881671.db2.gz DTCRDFTZHAUBMM-UHFFFAOYSA-N -1 0 384.457 3.139 20 30 GGEDRM Cc1cccc(NC(=O)C(=O)[N-]OCc2ccc(C(F)(F)F)cc2)c1C#N ZINC000151384623 1417944110 /nfs/dbraw/zinc/94/41/10/1417944110.db2.gz SKXIZUYFRKHDFQ-UHFFFAOYSA-N -1 0 377.322 3.072 20 30 GGEDRM N#CC(=C([O-])c1cn(Cc2cccc(F)c2)nn1)c1ccc(C(F)(F)F)cn1 ZINC000151537334 1418017772 /nfs/dbraw/zinc/01/77/72/1418017772.db2.gz AJPVQYPUOQVKPP-AWEZNQCLSA-N -1 0 389.312 3.369 20 30 GGEDRM Cc1c(C(F)(F)F)cccc1S(=O)(=O)[N-]C(=O)c1cccc(CC#N)c1 ZINC000178970524 1429231546 /nfs/dbraw/zinc/23/15/46/1429231546.db2.gz FBBLKQPIFQSSFG-UHFFFAOYSA-N -1 0 382.363 3.199 20 30 GGEDRM Cc1c(C#N)cccc1NC(=O)C(=O)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000178978300 1429233344 /nfs/dbraw/zinc/23/33/44/1429233344.db2.gz LLZYNMZDGFCUPW-UHFFFAOYSA-N -1 0 377.322 3.072 20 30 GGEDRM C=CCC(CC=C)C(=O)[N-]S(=O)(=O)c1cc(C)c(Br)s1 ZINC000151834603 1418097794 /nfs/dbraw/zinc/09/77/94/1418097794.db2.gz UDUDSVSJPDFSDR-UHFFFAOYSA-N -1 0 378.313 3.392 20 30 GGEDRM CCCCCCC[C@]1(C)NC(=O)N([N-]C(=O)c2cc(F)c(F)cc2F)C1=O ZINC000179007812 1429241464 /nfs/dbraw/zinc/24/14/64/1429241464.db2.gz TXRBTKKPYFRMQB-SFHVURJKSA-N -1 0 385.386 3.420 20 30 GGEDRM Cc1cc(C#N)ccc1S(=O)(=O)Nc1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC000179024532 1429245100 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395.412 3.386 20 30 GGEDRM Fc1ccc(-c2n[nH]cc2C=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000826373033 1429375831 /nfs/dbraw/zinc/37/58/31/1429375831.db2.gz XGNJOBPUUOCMBG-UHFFFAOYSA-N -1 0 382.790 3.495 20 30 GGEDRM CC(C)(CN=Nc1ccc(-c2nn[n-]n2)cc1)[C@H](C[N+](=O)[O-])c1ccccc1 ZINC000819975923 1429385603 /nfs/dbraw/zinc/38/56/03/1429385603.db2.gz FRFCIROTOMRCIV-QGZVFWFLSA-N -1 0 379.424 3.351 20 30 GGEDRM CCN(C(=O)[C@H](C)Oc1ccccc1C#N)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825361031 1429389265 /nfs/dbraw/zinc/38/92/65/1429389265.db2.gz ADIAEVNAILVKPN-LBPRGKRZSA-N -1 0 396.838 3.212 20 30 GGEDRM N#Cc1ccc(N2CCC[C@@H](Sc3ccccc3-c3nn[n-]n3)C2=O)cc1 ZINC000826385206 1429411258 /nfs/dbraw/zinc/41/12/58/1429411258.db2.gz BIDMAQXKQSSDSC-QGZVFWFLSA-N -1 0 376.445 3.026 20 30 GGEDRM N#Cc1ccc(-c2nnc(CNc3ccc(-c4nn[n-]n4)cc3Cl)o2)cc1 ZINC000822823670 1429416049 /nfs/dbraw/zinc/41/60/49/1429416049.db2.gz XFRPELLNFJQLMZ-UHFFFAOYSA-N -1 0 378.783 3.054 20 30 GGEDRM 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ZINC000153472255 1422556455 /nfs/dbraw/zinc/55/64/55/1422556455.db2.gz BZNYQQSDRMYROA-UHFFFAOYSA-N -1 0 398.507 3.400 20 30 GGEDRM CCOc1cccc(CNC(=O)Cn2[n-]c(C(C)(C)C)c(CCC#N)c2=O)c1 ZINC000153532357 1422590391 /nfs/dbraw/zinc/59/03/91/1422590391.db2.gz SJCJBCXGFHAJNK-UHFFFAOYSA-N -1 0 384.480 3.057 20 30 GGEDRM COc1cccc(CN(C)C(=O)Cn2[n-]c(C(C)(C)C)c(CCC#N)c2=O)c1 ZINC000153531755 1422590516 /nfs/dbraw/zinc/59/05/16/1422590516.db2.gz XNXSYHVJDSJRQE-UHFFFAOYSA-N -1 0 384.480 3.010 20 30 GGEDRM N#CCC[C@H](NC(=O)CCn1c(=O)c2ccccc2[n-]c1=S)c1ccccc1 ZINC000153706554 1422713196 /nfs/dbraw/zinc/71/31/96/1422713196.db2.gz YUHCPJWIBHCWDD-KRWDZBQOSA-N -1 0 392.484 3.237 20 30 GGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2nnc(-c3ccco3)o2)cc1C(F)(F)F ZINC000153773671 1422748941 /nfs/dbraw/zinc/74/89/41/1422748941.db2.gz JXUNNUJAZXBVCN-UHFFFAOYSA-N -1 0 384.295 3.021 20 30 GGEDRM Cc1occc1-c1nnc([N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)o1 ZINC000153811335 1422772275 /nfs/dbraw/zinc/77/22/75/1422772275.db2.gz 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392.427 3.299 20 30 GGEDRM C=CCn1c(=O)c2ccc(C(=O)N[C@@H]3COc4ccc(C)cc43)cc2[n-]c1=S ZINC000156018624 1423636845 /nfs/dbraw/zinc/63/68/45/1423636845.db2.gz NEVIPJWILYUPHO-QGZVFWFLSA-N -1 0 393.468 3.043 20 30 GGEDRM Cn1cc(C=CC(=O)c2ccc(F)cc2F)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826360068 1423643499 /nfs/dbraw/zinc/64/34/99/1423643499.db2.gz WOSSZWXXUHJSBO-RMKNXTFCSA-N -1 0 392.369 3.442 20 30 GGEDRM Cc1nc([N-]S(=O)(=O)c2ccc3ccccc3c2)n(-c2ccc(C#N)cc2)n1 ZINC000156078161 1423663192 /nfs/dbraw/zinc/66/31/92/1423663192.db2.gz HVWYXMGTBUVINJ-UHFFFAOYSA-N -1 0 389.440 3.401 20 30 GGEDRM Cc1nc([N-]S(=O)(=O)c2c(C)cc(C)cc2C)n(-c2ccc(C#N)cc2)n1 ZINC000156078302 1423663276 /nfs/dbraw/zinc/66/32/76/1423663276.db2.gz IWAARKQJNJRVMF-UHFFFAOYSA-N -1 0 381.461 3.173 20 30 GGEDRM Cc1nc([N-]S(=O)(=O)c2cc(Cl)ccc2C)n(-c2ccc(C#N)cc2)n1 ZINC000156090358 1423667555 /nfs/dbraw/zinc/66/75/55/1423667555.db2.gz INWWYEJXWGWMIS-UHFFFAOYSA-N -1 0 387.852 3.210 20 30 GGEDRM 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390.436 3.446 20 30 GGEDRM CCc1ccc(S(=O)(=O)[N-]c2nc(C)nn2-c2ccc(C#N)cc2)cc1CC ZINC000158105986 1424168402 /nfs/dbraw/zinc/16/84/02/1424168402.db2.gz KJXXUZMZOYPMJC-UHFFFAOYSA-N -1 0 395.488 3.373 20 30 GGEDRM Cc1cc(C(=O)N2CCCC2)ccc1[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000158107474 1424169385 /nfs/dbraw/zinc/16/93/85/1424169385.db2.gz IIIQRIZRNREZLX-UHFFFAOYSA-N -1 0 387.436 3.043 20 30 GGEDRM C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000736170834 1424170888 /nfs/dbraw/zinc/17/08/88/1424170888.db2.gz XXOIGQMEZGDERM-ZDUSSCGKSA-N -1 0 390.447 3.442 20 30 GGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(OCC3CCOCC3)cc2)c(F)c1 ZINC000158182027 1424188470 /nfs/dbraw/zinc/18/84/70/1424188470.db2.gz IIDMMAZZFVKTJU-UHFFFAOYSA-N -1 0 390.436 3.304 20 30 GGEDRM COc1ccc(-c2nn[n-]n2)cc1CON=Cc1ccccc1OC(F)F ZINC000826184716 1424192062 /nfs/dbraw/zinc/19/20/62/1424192062.db2.gz IDYIBYHMWOZQFJ-UHFFFAOYSA-N -1 0 375.335 3.027 20 30 GGEDRM Cc1cc([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)nn1-c1ccc(C)cc1 ZINC000180037489 1429706952 /nfs/dbraw/zinc/70/69/52/1429706952.db2.gz DZYWDYMBSZETLR-UHFFFAOYSA-N -1 0 388.399 3.440 20 30 GGEDRM C=C(C)COc1cccc(NC(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)c1 ZINC000735402206 1424221690 /nfs/dbraw/zinc/22/16/90/1424221690.db2.gz MAPNKCMWIZMTER-UHFFFAOYSA-N -1 0 378.436 3.486 20 30 GGEDRM COc1cc(C=NOCc2ccc(F)cc2-c2nn[n-]n2)ccc1OC(F)F ZINC000737044365 1424271099 /nfs/dbraw/zinc/27/10/99/1424271099.db2.gz QPGKLBHTWCOKSG-UHFFFAOYSA-N -1 0 393.325 3.167 20 30 GGEDRM C#Cc1cccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3nccs3)cc2)c1 ZINC000158651288 1424310241 /nfs/dbraw/zinc/31/02/41/1424310241.db2.gz OSIPXJUFCDRSIV-UHFFFAOYSA-N -1 0 383.454 3.178 20 30 GGEDRM Cc1ccc(S(=O)(=O)[N-]c2cccc(OCCCC#N)c2)c([N+](=O)[O-])c1 ZINC000158650219 1424310799 /nfs/dbraw/zinc/31/07/99/1424310799.db2.gz RYKSRBKYVJSBOQ-UHFFFAOYSA-N -1 0 375.406 3.387 20 30 GGEDRM N#Cc1ccc(C(=O)Nc2ccc(F)c([N-]S(=O)(=O)c3cccs3)c2)[nH]1 ZINC000158689739 1424320161 /nfs/dbraw/zinc/32/01/61/1424320161.db2.gz HXGWODRKRCZUPG-UHFFFAOYSA-N -1 0 390.421 3.140 20 30 GGEDRM C=CCOc1ccc(C(=O)O[C@@H](C)COc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735437420 1424383737 /nfs/dbraw/zinc/38/37/37/1424383737.db2.gz HULGNBJPMMELLJ-AWEZNQCLSA-N -1 0 380.404 3.056 20 30 GGEDRM CCCCCCC[C@]1(C)NC(=O)N([N-]C(=O)c2ccn(C3CCCC3)n2)C1=O ZINC000159555072 1424512884 /nfs/dbraw/zinc/51/28/84/1424512884.db2.gz VMWKQSLUVAJTPZ-FQEVSTJZSA-N -1 0 389.500 3.314 20 30 GGEDRM Cc1c(C(C)N=Nc2oc(C(C)(C)C)nc2-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC000819782024 1429732550 /nfs/dbraw/zinc/73/25/50/1429732550.db2.gz HYRJTDPWQCBRDQ-UHFFFAOYSA-N -1 0 384.400 3.205 20 30 GGEDRM Cc1nc(C([O-])=C(C#N)C(=O)NC2CCCC2)nn1-c1ccccc1C(C)C ZINC000159831123 1424540476 /nfs/dbraw/zinc/54/04/76/1424540476.db2.gz IOBCHUYVVAFRAL-KRWDZBQOSA-N -1 0 379.464 3.080 20 30 GGEDRM Cc1ccc(I)cc1C(=O)Nc1cc(C#N)ccc1[O-] ZINC000159863769 1424545182 /nfs/dbraw/zinc/54/51/82/1424545182.db2.gz IZSVCSIXCQJURC-UHFFFAOYSA-N -1 0 378.169 3.429 20 30 GGEDRM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2cc([C@@H](C)CCC)[nH]n2)c1 ZINC000159863808 1424545365 /nfs/dbraw/zinc/54/53/65/1424545365.db2.gz CQTGPFYIZXARMV-ZDUSSCGKSA-N -1 0 376.482 3.030 20 30 GGEDRM O=C1[C@@H](/N=C/c2cc([N+](=O)[O-])ccc2[O-])CCN1c1ccc(Cl)c(F)c1 ZINC000160101601 1424574159 /nfs/dbraw/zinc/57/41/59/1424574159.db2.gz OEDKFDUKUKPVQK-FULVDIRDSA-N -1 0 377.759 3.317 20 30 GGEDRM Cc1ccc(Cc2nnc([N-]S(=O)(=O)c3ccc(CC#N)cc3)s2)cc1 ZINC000160110525 1424575362 /nfs/dbraw/zinc/57/53/62/1424575362.db2.gz SWRADROWKCAONL-UHFFFAOYSA-N -1 0 384.486 3.304 20 30 GGEDRM Cc1ccc(N(CCC#N)S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)cc1 ZINC000160148447 1424580076 /nfs/dbraw/zinc/58/00/76/1424580076.db2.gz ANPZQHFJQSMWTP-UHFFFAOYSA-N -1 0 380.372 3.080 20 30 GGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccn(CC(F)(F)F)n2)c(C(F)(F)F)c1 ZINC000160216620 1424587943 /nfs/dbraw/zinc/58/79/43/1424587943.db2.gz QBSXSDUDUUVQPH-UHFFFAOYSA-N -1 0 398.288 3.137 20 30 GGEDRM CCn1c(=O)c2ccc(C(=O)OC[C@@H](C#N)Cc3cccs3)cc2[n-]c1=S ZINC000180102784 1429739056 /nfs/dbraw/zinc/73/90/56/1429739056.db2.gz RWCRVXDSSXEYCF-GFCCVEGCSA-N -1 0 399.497 3.306 20 30 GGEDRM CC(C)(C)c1ccc(S(=O)(=O)[N-]C(=O)CCc2ccc(C#N)cc2)s1 ZINC000160506787 1424609380 /nfs/dbraw/zinc/60/93/80/1424609380.db2.gz LLNJZIXPUFALEO-UHFFFAOYSA-N -1 0 376.503 3.355 20 30 GGEDRM N#Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(N3CCCC3)c(F)c2)c(F)c1 ZINC000160915744 1424644429 /nfs/dbraw/zinc/64/44/29/1424644429.db2.gz RJOQKPBZSMIZMR-UHFFFAOYSA-N -1 0 381.379 3.377 20 30 GGEDRM C=CCn1c(SCc2ccnc(-c3nn[n-]n3)c2)nnc1-c1ccc(C)cc1 ZINC000823936973 1424646822 /nfs/dbraw/zinc/64/68/22/1424646822.db2.gz BXNVWSZYYRIVRF-UHFFFAOYSA-N -1 0 390.476 3.307 20 30 GGEDRM CCN(CCC#N)C(=O)c1ccccc1[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000161055188 1424655122 /nfs/dbraw/zinc/65/51/22/1424655122.db2.gz YQWKBAFUXMVOQU-UHFFFAOYSA-N -1 0 393.415 3.141 20 30 GGEDRM C=C(C)CNC(=O)c1ccc(OC)c(S(=O)(=O)[N-]c2ccc(CC)cc2)c1 ZINC000161258698 1424671079 /nfs/dbraw/zinc/67/10/79/1424671079.db2.gz AEJALTSKWCGEEC-UHFFFAOYSA-N -1 0 388.489 3.364 20 30 GGEDRM CCCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(C#N)cc1[N+](=O)[O-] ZINC000161300251 1424673907 /nfs/dbraw/zinc/67/39/07/1424673907.db2.gz MOZKNLVRGUKKTM-UHFFFAOYSA-N -1 0 379.369 3.195 20 30 GGEDRM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2OCCC)c1 ZINC000161293897 1424673981 /nfs/dbraw/zinc/67/39/81/1424673981.db2.gz RGMOXSZMKDMWLZ-UHFFFAOYSA-N -1 0 392.452 3.331 20 30 GGEDRM COc1cc2c(c(C=C3CCc4cc(-c5nn[n-]n5)ccc4C3=O)c1)O[C@@H](C)C2 ZINC000821713439 1424733019 /nfs/dbraw/zinc/73/30/19/1424733019.db2.gz XNLYUMWCHDHDJX-IGVUGNCQSA-N -1 0 388.427 3.411 20 30 GGEDRM Cc1c[nH+]c(NCc2ccc(C#N)cc2)nc1NCc1ccc(-c2nnn[n-]2)cc1 ZINC000822394527 1424764992 /nfs/dbraw/zinc/76/49/92/1424764992.db2.gz CLROROOMNONJBZ-UHFFFAOYSA-N -1 0 397.446 3.061 20 30 GGEDRM C=CCn1c(=O)c2ccc(C(=O)NCc3cc(C)cc(OC)c3)cc2[n-]c1=S ZINC000162239033 1424829590 /nfs/dbraw/zinc/82/95/90/1424829590.db2.gz UUCWCCKSACXYNQ-UHFFFAOYSA-N -1 0 395.484 3.118 20 30 GGEDRM Cn1cc(C=NNCc2cccc(Cl)c2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826360592 1424863828 /nfs/dbraw/zinc/86/38/28/1424863828.db2.gz QGJJRILDLCMALW-UHFFFAOYSA-N -1 0 392.854 3.044 20 30 GGEDRM N#Cc1cc(NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)ccc1F ZINC000737708049 1424912508 /nfs/dbraw/zinc/91/25/08/1424912508.db2.gz CRTFQBJFDJWPLJ-UHFFFAOYSA-N -1 0 377.383 3.074 20 30 GGEDRM O=C(CSc1ccc(-c2nn[n-]n2)cc1)OCC#Cc1ccccc1Cl ZINC000826420866 1424947943 /nfs/dbraw/zinc/94/79/43/1424947943.db2.gz GOTKNHVYCYDCPM-UHFFFAOYSA-N -1 0 384.848 3.207 20 30 GGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2nccc(-c3ccco3)n2)cc1C(F)(F)F ZINC000163255503 1424967695 /nfs/dbraw/zinc/96/76/95/1424967695.db2.gz WYJHDAGJEFQINN-UHFFFAOYSA-N -1 0 394.334 3.428 20 30 GGEDRM COc1cccc(C(=O)C=Cc2cn(C)nc2-c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826213988 1425037051 /nfs/dbraw/zinc/03/70/51/1425037051.db2.gz VUIBEEABJCIHIF-KHPPLWFESA-N -1 0 386.415 3.172 20 30 GGEDRM CC(C)n1cc(C#N)c([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)n1 ZINC000164021786 1425069577 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381.457 3.441 20 30 GGEDRM CCCCCCCCNC(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000825272157 1425337090 /nfs/dbraw/zinc/33/70/90/1425337090.db2.gz XJXPDDPMACVHDL-GOSISDBHSA-N -1 0 386.500 3.310 20 30 GGEDRM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)OCc1ccc(F)cc1C#N ZINC000735737122 1425384535 /nfs/dbraw/zinc/38/45/35/1425384535.db2.gz ZDCWAJRGUMSDLR-SFHVURJKSA-N -1 0 395.394 3.024 20 30 GGEDRM COc1ccc(CCCCCC(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1 ZINC000737087762 1425395035 /nfs/dbraw/zinc/39/50/35/1425395035.db2.gz IZRTVTLUMGZHQM-UHFFFAOYSA-N -1 0 390.447 3.489 20 30 GGEDRM CCCCCCC[C@]1(C)NC(=O)N([N-]C(=O)c2cc3nc(C)ccc3o2)C1=O ZINC000170928781 1425398395 /nfs/dbraw/zinc/39/83/95/1425398395.db2.gz YJISNVJEFPWODU-FQEVSTJZSA-N -1 0 386.452 3.452 20 30 GGEDRM N#Cc1cc(NC(=O)C[C@H](c2ccccc2)C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000737704131 1425414240 /nfs/dbraw/zinc/41/42/40/1425414240.db2.gz HCCSHXFWKBTHOO-OAHLLOKOSA-N -1 0 386.337 3.413 20 30 GGEDRM N#Cc1cccc(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@H]2c2ccc3ccccc3c2)c1 ZINC000170998823 1425430022 /nfs/dbraw/zinc/43/00/22/1425430022.db2.gz IZAUTPRNRZUZET-VQTJNVASSA-N -1 0 376.437 3.320 20 30 GGEDRM N#C[C@@H](NC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1)C1CC1 ZINC000822801845 1425448301 /nfs/dbraw/zinc/44/83/01/1425448301.db2.gz PLQLGNKATGKRMU-MRXNPFEDSA-N -1 0 376.445 3.050 20 30 GGEDRM CC(C)(C)c1ncc(C=CC(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)s1 ZINC000819966061 1425468464 /nfs/dbraw/zinc/46/84/64/1425468464.db2.gz UTVIGRVUNIWEHB-VOTSOKGWSA-N -1 0 379.449 3.144 20 30 GGEDRM C[C@@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000820556037 1425478993 /nfs/dbraw/zinc/47/89/93/1425478993.db2.gz QXDDKEUSXKPZNI-CYBMUJFWSA-N -1 0 396.451 3.433 20 30 GGEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)C[C@H](C)NC(=O)C1CCCC1 ZINC000171104983 1425485129 /nfs/dbraw/zinc/48/51/29/1425485129.db2.gz KNMCBANCZQOZJG-GUYCJALGSA-N -1 0 379.460 3.453 20 30 GGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2nc(-c3ccc(F)c(F)c3)cs2)cn1 ZINC000171147661 1425508238 /nfs/dbraw/zinc/50/82/38/1425508238.db2.gz PUEWHNNEFWFKTC-UHFFFAOYSA-N -1 0 378.385 3.156 20 30 GGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ncc(Cc3ccc(F)c(F)c3)s2)cn1 ZINC000171152350 1425510876 /nfs/dbraw/zinc/51/08/76/1425510876.db2.gz OVFJVVDTWZWORU-UHFFFAOYSA-N -1 0 392.412 3.080 20 30 GGEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000735418462 1425518334 /nfs/dbraw/zinc/51/83/34/1425518334.db2.gz DXBAPUMTNDKJCL-JKSUJKDBSA-N -1 0 395.413 3.463 20 30 GGEDRM C=C(C)COc1cccc(NC(=O)[C@H](C)Oc2ccccc2-c2nn[n-]n2)c1 ZINC000735402250 1425528358 /nfs/dbraw/zinc/52/83/58/1425528358.db2.gz OAJXFASTTYSVFT-AWEZNQCLSA-N -1 0 379.420 3.228 20 30 GGEDRM Clc1cccc(C#CCN2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000826353500 1425532054 /nfs/dbraw/zinc/53/20/54/1425532054.db2.gz RMWZLZDWBGFJOL-UHFFFAOYSA-N -1 0 393.878 3.415 20 30 GGEDRM COc1ccc(-c2csc(C(C#N)=C([O-])c3ccc(C(N)=O)s3)n2)cc1 ZINC000171267284 1425583805 /nfs/dbraw/zinc/58/38/05/1425583805.db2.gz 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N#Cc1ccc(S(=O)(=O)[N-]c2ccnn2[C@@H]2CCCc3ccccc32)cc1 ZINC000171343973 1425627051 /nfs/dbraw/zinc/62/70/51/1425627051.db2.gz MMNCYBUQWIDREX-LJQANCHMSA-N -1 0 378.457 3.481 20 30 GGEDRM N#Cc1cccc(S(=O)(=O)[N-]C(=O)C[C@@H](c2ccccc2)C(F)(F)F)c1 ZINC000171401443 1425663052 /nfs/dbraw/zinc/66/30/52/1425663052.db2.gz LXPXJCOHERYCLR-HNNXBMFYSA-N -1 0 382.363 3.099 20 30 GGEDRM CCCOc1ccc(Cl)cc1C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000821133696 1425688465 /nfs/dbraw/zinc/68/84/65/1425688465.db2.gz FBTNRFWKVMJFIA-UHFFFAOYSA-N -1 0 382.811 3.433 20 30 GGEDRM Cc1nccn1-c1ccc(C(C)N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)cc1 ZINC000823953461 1425696172 /nfs/dbraw/zinc/69/61/72/1425696172.db2.gz AVKPSUAIVWODPR-UHFFFAOYSA-N -1 0 393.842 3.245 20 30 GGEDRM N#Cc1cc(NC(=O)c2cnc(Cc3ccccc3)s2)ccc1-c1nn[n-]n1 ZINC000822823607 1425761874 /nfs/dbraw/zinc/76/18/74/1425761874.db2.gz UGQIZSRIFLAXAP-UHFFFAOYSA-N -1 0 387.428 3.038 20 30 GGEDRM CCCOc1ccc(Cl)cc1C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000821134442 1425775410 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ZINC000172559065 1426087447 /nfs/dbraw/zinc/08/74/47/1426087447.db2.gz OXMHCPUWRXXQPM-UHFFFAOYSA-N -1 0 384.335 3.149 20 30 GGEDRM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000172590315 1426102142 /nfs/dbraw/zinc/10/21/42/1426102142.db2.gz HLTIODSSJDFTMM-UHFFFAOYSA-N -1 0 383.332 3.177 20 30 GGEDRM O=C(C=Cc1c[nH]nc1-c1ccccc1F)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826400434 1426103738 /nfs/dbraw/zinc/10/37/38/1426103738.db2.gz ZADQXAASVRLPFH-SOFGYWHQSA-N -1 0 378.342 3.431 20 30 GGEDRM C#Cc1ccc(C(=O)N[C@@H](C)c2ccc(-c3cccc(-c4nn[n-]n4)c3)cc2)nc1 ZINC000823861546 1426115961 /nfs/dbraw/zinc/11/59/61/1426115961.db2.gz MZYBAXDDIYTGSN-HNNXBMFYSA-N -1 0 394.438 3.401 20 30 GGEDRM C#CCCCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1OC ZINC000172779101 1426184107 /nfs/dbraw/zinc/18/41/07/1426184107.db2.gz BFXUMQJSMDBHMT-UHFFFAOYSA-N -1 0 389.433 3.230 20 30 GGEDRM CN(Cc1ccc(-c2nnn[n-]2)cc1)c1c(C#N)cnc2c(F)ccc(F)c21 ZINC000736818877 1426199407 /nfs/dbraw/zinc/19/94/07/1426199407.db2.gz 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ZINC000824309821 1426530185 /nfs/dbraw/zinc/53/01/85/1426530185.db2.gz WKTWKFDKTPNFLD-HNNXBMFYSA-N -1 0 396.476 3.372 20 30 GGEDRM C=CCCC(=O)COC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000823888093 1426533235 /nfs/dbraw/zinc/53/32/35/1426533235.db2.gz FWKVYAHEJAPTAV-UHFFFAOYSA-N -1 0 377.404 3.302 20 30 GGEDRM CCOc1ccc(C=NOCc2ccc(-c3nn[n-]n3)cc2OC(F)F)cc1 ZINC000821417836 1426575215 /nfs/dbraw/zinc/57/52/15/1426575215.db2.gz UBUZXRUMMCMYID-UHFFFAOYSA-N -1 0 389.362 3.418 20 30 GGEDRM CC(C)N(CCC#N)C(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000735858823 1426599578 /nfs/dbraw/zinc/59/95/78/1426599578.db2.gz GYYOKVYKNXRBJH-UHFFFAOYSA-N -1 0 390.447 3.210 20 30 GGEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccccc1OC(C)C ZINC000735420191 1426603304 /nfs/dbraw/zinc/60/33/04/1426603304.db2.gz NENLWGPSDYWKRO-UHFFFAOYSA-N -1 0 377.448 3.482 20 30 GGEDRM COc1ccc(C(=O)C=Cc2cccc(-c3nnn[n-]3)c2)cc1Cn1cccn1 ZINC000821769580 1426630178 /nfs/dbraw/zinc/63/01/78/1426630178.db2.gz IJGARWBCICKUEL-VURMDHGXSA-N 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1426783434 /nfs/dbraw/zinc/78/34/34/1426783434.db2.gz HRCHGYGUKJZQOA-AUWJEWJLSA-N -1 0 382.474 3.437 20 30 GGEDRM Cc1ccc(-n2[n-]c(C(=O)NCCSCc3ccccc3C#N)cc2=O)cc1 ZINC000173680016 1426819409 /nfs/dbraw/zinc/81/94/09/1426819409.db2.gz QNCKLRWHCWXVNX-UHFFFAOYSA-N -1 0 392.484 3.009 20 30 GGEDRM C#Cc1cccc(N(Cc2ccco2)C(=O)COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000735391036 1426830708 /nfs/dbraw/zinc/83/07/08/1426830708.db2.gz KNHNIOZEQSBZLT-UHFFFAOYSA-N -1 0 399.410 3.053 20 30 GGEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)cc1 ZINC000173889056 1426882349 /nfs/dbraw/zinc/88/23/49/1426882349.db2.gz DUBPHODMNUFDPE-HOTGVXAUSA-N -1 0 395.267 3.474 20 30 GGEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)[C@H](C)n1nnc(-c2ccccc2)n1 ZINC000173915860 1426890979 /nfs/dbraw/zinc/89/09/79/1426890979.db2.gz NUWWPAMDRQVFMT-YOEHRIQHSA-N -1 0 398.426 3.283 20 30 GGEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1cc2cc(C(F)(F)F)ccc2n1C ZINC000173934687 1426898318 /nfs/dbraw/zinc/89/83/18/1426898318.db2.gz PNRNVSJGRYRFAI-AWEZNQCLSA-N -1 0 395.381 3.062 20 30 GGEDRM Cc1c(Br)cccc1C([O-])=C(C#N)C(=O)NCCCOC(C)C ZINC000173940880 1426900614 /nfs/dbraw/zinc/90/06/14/1426900614.db2.gz OFNGCNQLCCRFLZ-AWEZNQCLSA-N -1 0 381.270 3.011 20 30 GGEDRM CC(C)OCCCNC(=O)C(C#N)=C([O-])c1cc(Br)cn1C(C)C ZINC000173940525 1426900739 /nfs/dbraw/zinc/90/07/39/1426900739.db2.gz YOWPJACKGJXVQF-AWEZNQCLSA-N -1 0 398.301 3.085 20 30 GGEDRM COc1ccc2sc(C([O-])=C(C#N)C(=O)NCCCOC(C)C)c(C)c2c1 ZINC000173940839 1426900945 /nfs/dbraw/zinc/90/09/45/1426900945.db2.gz JCNKYARFYGURIR-MRXNPFEDSA-N -1 0 388.489 3.472 20 30 GGEDRM COc1ccc(CN=Nc2oc(C(C)C)nc2-c2nn[n-]n2)c(Cl)c1OC ZINC000737082187 1426907492 /nfs/dbraw/zinc/90/74/92/1426907492.db2.gz DSYVNFXKQKNVQO-UHFFFAOYSA-N -1 0 391.819 3.095 20 30 GGEDRM COc1ccc(-c2ncc(C([O-])=C(C#N)C(=O)NCc3ccccc3)s2)cc1 ZINC000173955048 1426908526 /nfs/dbraw/zinc/90/85/26/1426908526.db2.gz WXGGLSOSASTWHU-KRWDZBQOSA-N -1 0 391.452 3.458 20 30 GGEDRM CC(C)C(=O)N(C)Cc1ccc(C([O-])=C(C#N)C(=O)NC2CCCCC2)cc1 ZINC000173961131 1426910835 /nfs/dbraw/zinc/91/08/35/1426910835.db2.gz RJBAWWDJVNQOJX-IBGZPJMESA-N -1 0 383.492 3.072 20 30 GGEDRM CC(C)=CC(=O)NCc1ccc(C([O-])=C(C#N)C(=O)NC2CCCCC2)cc1 ZINC000173960579 1426910922 /nfs/dbraw/zinc/91/09/22/1426910922.db2.gz SEDKUNOTBZIDKS-IBGZPJMESA-N -1 0 381.476 3.040 20 30 GGEDRM CC(C)C(=O)N(C)Cc1ccc(C([O-])=C(C#N)C(=O)NC2CCCCC2)cc1 ZINC000173961123 1426911328 /nfs/dbraw/zinc/91/13/28/1426911328.db2.gz RJBAWWDJVNQOJX-LJQANCHMSA-N -1 0 383.492 3.072 20 30 GGEDRM CC(C)(C)C(=O)NCc1ccc(C([O-])=C(C#N)C(=O)NC2CCCCC2)cc1 ZINC000173962077 1426911646 /nfs/dbraw/zinc/91/16/46/1426911646.db2.gz JKLUNMWLEBMHMY-GOSISDBHSA-N -1 0 383.492 3.120 20 30 GGEDRM CC(C)(C)CNC(=O)c1ccc(C([O-])=C(C#N)C(=O)NC2CCCCC2)cc1 ZINC000173961540 1426911845 /nfs/dbraw/zinc/91/18/45/1426911845.db2.gz PTPQDYZQPXPKOX-SFHVURJKSA-N -1 0 383.492 3.234 20 30 GGEDRM C[C@H](CCOc1ccccc1)C(=O)[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000173971498 1426916385 /nfs/dbraw/zinc/91/63/85/1426916385.db2.gz BFPYWWQLIXOLKN-CYBMUJFWSA-N -1 0 392.864 3.122 20 30 GGEDRM CC(C)(C)OC(=O)NCc1ccc(C([O-])=C(C#N)c2nnc3n2CCCCC3)o1 ZINC000174009167 1426940431 /nfs/dbraw/zinc/94/04/31/1426940431.db2.gz HWOFWYFGKYKXKM-CQSZACIVSA-N -1 0 399.451 3.112 20 30 GGEDRM C[C@@](C#N)(NC(=O)CSCc1ccc(-c2nn[n-]n2)cc1)C1CCCCC1 ZINC000735505090 1426941136 /nfs/dbraw/zinc/94/11/36/1426941136.db2.gz SCBSDFXVUNSOJX-IBGZPJMESA-N -1 0 384.509 3.079 20 30 GGEDRM Cc1cc(N2CCCS2(=O)=O)ccc1C([O-])=C(C#N)c1nc2ccccc2o1 ZINC000174014844 1426944404 /nfs/dbraw/zinc/94/44/04/1426944404.db2.gz IZGUKNQIBNCXOP-INIZCTEOSA-N -1 0 395.440 3.166 20 30 GGEDRM CC[C@H](C#N)Oc1cc(CNc2ccc(Cl)c(-c3nn[n-]n3)n2)ccc1OC ZINC000736308188 1426947262 /nfs/dbraw/zinc/94/72/62/1426947262.db2.gz AKJGHMDCLCXQJG-GFCCVEGCSA-N -1 0 399.842 3.217 20 30 GGEDRM Clc1cc(-c2nnn[n-]2)cc(NN=Cc2cccc(-c3ccccn3)c2)n1 ZINC000826349945 1426965033 /nfs/dbraw/zinc/96/50/33/1426965033.db2.gz ANMVYYIYMSIHJR-UHFFFAOYSA-N -1 0 376.811 3.423 20 30 GGEDRM CN(C(=O)CCCCCn1c(=O)c2ccccc2[n-]c1=S)C1(C#N)CCC1 ZINC000174128873 1427014198 /nfs/dbraw/zinc/01/41/98/1427014198.db2.gz LDDAHIQFAUWHKF-UHFFFAOYSA-N -1 0 384.505 3.150 20 30 GGEDRM Cn1cc(C=C2Cc3ccc(F)cc3C2=O)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826359664 1427034088 /nfs/dbraw/zinc/03/40/88/1427034088.db2.gz NIEAHBBLTNPKJA-OQLLNIDSSA-N -1 0 386.390 3.229 20 30 GGEDRM N#Cc1cc(F)c(C(=O)OCc2ccc(Cl)cc2-c2nn[n-]n2)c(F)c1 ZINC000826384095 1427046817 /nfs/dbraw/zinc/04/68/17/1427046817.db2.gz GTQBTGQLQHMYOX-UHFFFAOYSA-N -1 0 375.722 3.027 20 30 GGEDRM C[C@H](CCc1cccc(F)c1)C(=O)[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000174218501 1427056005 /nfs/dbraw/zinc/05/60/05/1427056005.db2.gz HPGLGDFSAPAAER-GFCCVEGCSA-N -1 0 394.855 3.425 20 30 GGEDRM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000174255811 1427072006 /nfs/dbraw/zinc/07/20/06/1427072006.db2.gz SMORVYYLKOFRRD-UHFFFAOYSA-N -1 0 378.385 3.228 20 30 GGEDRM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cnn(-c2ccccc2)c1 ZINC000174256059 1427072148 /nfs/dbraw/zinc/07/21/48/1427072148.db2.gz NKEUCHVOEXWUAV-UHFFFAOYSA-N -1 0 381.461 3.367 20 30 GGEDRM Cc1nc(NC(=O)c2cc(=O)n(-c3ccc(C)cc3)[n-]2)sc1SCC#N ZINC000174456258 1427163580 /nfs/dbraw/zinc/16/35/80/1427163580.db2.gz XUXSPLZTBYEDGC-UHFFFAOYSA-N -1 0 385.474 3.107 20 30 GGEDRM N#Cc1cccc(COC(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)c1F ZINC000826386536 1427165120 /nfs/dbraw/zinc/16/51/20/1427165120.db2.gz JASKHXHTJQFOST-UHFFFAOYSA-N -1 0 391.284 3.253 20 30 GGEDRM CC(C)c1nc(-c2nn[n-]n2)c(N=NC(C)c2cnn(Cc3ccccc3)c2)o1 ZINC000819782848 1427185949 /nfs/dbraw/zinc/18/59/49/1427185949.db2.gz QJJZZVIDEICLDY-UHFFFAOYSA-N -1 0 391.439 3.059 20 30 GGEDRM Cc1ccc(-n2[n-]c(C(=O)NCC#Cc3cccc(C(F)(F)F)c3)cc2=O)cc1 ZINC000174516781 1427197004 /nfs/dbraw/zinc/19/70/04/1427197004.db2.gz AJHGYGHLHGPEGN-UHFFFAOYSA-N -1 0 399.372 3.274 20 30 GGEDRM CCN(CC#N)C(=O)c1ccccc1SCc1ccc(-c2nn[n-]n2)cc1 ZINC000825394672 1427197159 /nfs/dbraw/zinc/19/71/59/1427197159.db2.gz GOBWLEVMHMKZDR-UHFFFAOYSA-N -1 0 378.461 3.145 20 30 GGEDRM N#CCn1c(C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cc2ccccc21 ZINC000737697408 1427330951 /nfs/dbraw/zinc/33/09/51/1427330951.db2.gz FPYFYTKLXKSABH-UHFFFAOYSA-N -1 0 377.795 3.251 20 30 GGEDRM N#Cc1ccccc1C=CC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000822837897 1427331424 /nfs/dbraw/zinc/33/14/24/1427331424.db2.gz XPONVUZBXAIVJI-VMPITWQZSA-N -1 0 384.321 3.409 20 30 GGEDRM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000174736774 1427339884 /nfs/dbraw/zinc/33/98/84/1427339884.db2.gz CVRAVOWTGJCOJG-UHFFFAOYSA-N -1 0 378.385 3.228 20 30 GGEDRM N#Cc1ccc(NC(=O)c2cnc(Cc3ccccc3)s2)cc1-c1nn[n-]n1 ZINC000822829993 1427369709 /nfs/dbraw/zinc/36/97/09/1427369709.db2.gz SHHHCXQPZWGERQ-UHFFFAOYSA-N -1 0 387.428 3.038 20 30 GGEDRM CC(C)(C)c1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1[N+](=O)[O-] ZINC000735647928 1427425874 /nfs/dbraw/zinc/42/58/74/1427425874.db2.gz HTVWSAPQCVRLBP-UHFFFAOYSA-N -1 0 391.391 3.196 20 30 GGEDRM O=C(CSc1ccc(-c2nn[n-]n2)cc1)OCC#Cc1ccc(Cl)cc1 ZINC000823066343 1427428219 /nfs/dbraw/zinc/42/82/19/1427428219.db2.gz VMUSKNLTEQRXFR-UHFFFAOYSA-N -1 0 384.848 3.207 20 30 GGEDRM COc1cc(C)c(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)cc1OC ZINC000821708473 1427440124 /nfs/dbraw/zinc/44/01/24/1427440124.db2.gz QLLVIRYIQWSHKF-UVTDQMKNSA-N -1 0 376.416 3.405 20 30 GGEDRM C=CCCC[C@H](C)NC(=O)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000823894001 1427443484 /nfs/dbraw/zinc/44/34/84/1427443484.db2.gz DMKULRORPYQXJF-HNNXBMFYSA-N -1 0 384.484 3.164 20 30 GGEDRM Cc1cccc(OC(F)F)c1[N-]S(=O)(=O)c1ccc(C#N)cc1[N+](=O)[O-] ZINC000175014299 1427498735 /nfs/dbraw/zinc/49/87/35/1427498735.db2.gz FVCABNKVCQLZQM-UHFFFAOYSA-N -1 0 383.332 3.177 20 30 GGEDRM CCc1cc(N2CCC(/N=C/c3cc(Cl)cc([N+](=O)[O-])c3[O-])CC2)ncn1 ZINC000175067122 1427528841 /nfs/dbraw/zinc/52/88/41/1427528841.db2.gz GKHZWMYAKQEMHW-KEBDBYFISA-N -1 0 389.843 3.394 20 30 GGEDRM CC(C)[C@H](C(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1)c1cccc(Cl)c1 ZINC000175075935 1427533243 /nfs/dbraw/zinc/53/32/43/1427533243.db2.gz SJILTQFNALCOLK-KRWDZBQOSA-N -1 0 376.865 3.456 20 30 GGEDRM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1csc(C(C)(C)C)n1 ZINC000735420851 1427580354 /nfs/dbraw/zinc/58/03/54/1427580354.db2.gz UYQHGUAAAFSKDF-UHFFFAOYSA-N -1 0 382.493 3.449 20 30 GGEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H](C)CCOc1ccccc1 ZINC000819744034 1427609287 /nfs/dbraw/zinc/60/92/87/1427609287.db2.gz UHUDLEFTCWKBQX-QGZVFWFLSA-N -1 0 391.475 3.487 20 30 GGEDRM Fc1ccc(C#CCNc2ccn(-c3ccc(Cl)cc3-c3nn[n-]n3)n2)cc1 ZINC000826373271 1427633107 /nfs/dbraw/zinc/63/31/07/1427633107.db2.gz GPHORFHCQUKIGK-UHFFFAOYSA-N -1 0 393.813 3.309 20 30 GGEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1c2ccccc2C[C@H]1C ZINC000735418611 1427640582 /nfs/dbraw/zinc/64/05/82/1427640582.db2.gz HPJNKVZMZHJCQM-QRWLVFNGSA-N -1 0 388.475 3.498 20 30 GGEDRM COc1cc(C)c(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)cc1OC ZINC000821708472 1427651733 /nfs/dbraw/zinc/65/17/33/1427651733.db2.gz QLLVIRYIQWSHKF-GXDHUFHOSA-N -1 0 376.416 3.405 20 30 GGEDRM COc1ccc(C(=O)/C=C/c2ccc([O-])c([N+](=O)[O-])c2)cc1Cn1cccn1 ZINC000175329396 1427682404 /nfs/dbraw/zinc/68/24/04/1427682404.db2.gz CUOZXEVZWRLZTP-ZZXKWVIFSA-N -1 0 379.372 3.450 20 30 GGEDRM CCn1c(=O)c2ccc(C(=O)OC[C@@H](C#N)Cc3ccccc3)cc2[n-]c1=S ZINC000175364587 1427708478 /nfs/dbraw/zinc/70/84/78/1427708478.db2.gz MOFMBEMIBQGYEH-OAHLLOKOSA-N -1 0 393.468 3.244 20 30 GGEDRM C#CCOc1ccccc1OCc1ccc(-c2nn[n-]n2)cc1Br ZINC000823861700 1427766791 /nfs/dbraw/zinc/76/67/91/1427766791.db2.gz PYNJTPIQRMEHSE-UHFFFAOYSA-N -1 0 385.221 3.220 20 30 GGEDRM Cc1c(Cl)cnc(NC2CCN(c3ccccc3-c3nn[n-]n3)CC2)c1C#N ZINC000826239047 1427773576 /nfs/dbraw/zinc/77/35/76/1427773576.db2.gz WSQWBVUOCLUVKO-UHFFFAOYSA-N -1 0 394.870 3.176 20 30 GGEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1c[nH]c2cccc(F)c12 ZINC000823914657 1427799256 /nfs/dbraw/zinc/79/92/56/1427799256.db2.gz LBJHOTZIVVALGU-UHFFFAOYSA-N -1 0 376.395 3.316 20 30 GGEDRM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)[C@H](C)c1nc(-c2cccnc2)no1 ZINC000735420908 1427800257 /nfs/dbraw/zinc/80/02/57/1427800257.db2.gz VMZIFLKKGNSYSS-CQSZACIVSA-N -1 0 388.435 3.061 20 30 GGEDRM Fc1c(CN2CCC(C(F)(F)F)(C(F)(F)F)C2)cccc1-c1nn[n-]n1 ZINC000826370474 1427854430 /nfs/dbraw/zinc/85/44/30/1427854430.db2.gz VAQRHKVCMNUDFC-UHFFFAOYSA-N -1 0 383.271 3.323 20 30 GGEDRM CCCOc1ccc(C=NOCc2ccc(-c3nn[n-]n3)cc2OC)cc1OC ZINC000825339308 1427872160 /nfs/dbraw/zinc/87/21/60/1427872160.db2.gz WCZLBFDNVQOZPU-UHFFFAOYSA-N -1 0 397.435 3.223 20 30 GGEDRM Cc1c(C(=O)C=Cc2nc(Cl)cs2)cnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826234185 1427883762 /nfs/dbraw/zinc/88/37/62/1427883762.db2.gz LLJJTLWJCHFALF-SREVYHEPSA-N -1 0 397.851 3.367 20 30 GGEDRM N#CCCCOc1cccc(NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737688484 1427930571 /nfs/dbraw/zinc/93/05/71/1427930571.db2.gz UNEMJBFFWDQCEK-UHFFFAOYSA-N -1 0 394.460 3.280 20 30 GGEDRM CC(C)CC(C)(C)C(=O)[N-]S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000175935181 1427982596 /nfs/dbraw/zinc/98/25/96/1427982596.db2.gz OPIMOCANFSPVSL-UHFFFAOYSA-N -1 0 376.400 3.454 20 30 GGEDRM Cc1c(C(=O)C=Cc2cccc(-n3cccn3)c2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000822014880 1427991371 /nfs/dbraw/zinc/99/13/71/1427991371.db2.gz AWBTZHVYHQIQRB-CMDGGOBGSA-N -1 0 385.431 3.005 20 30 GGEDRM N#CCCn1cc(CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)c2ccccc21 ZINC000826382258 1428041944 /nfs/dbraw/zinc/04/19/44/1428041944.db2.gz VVKVHXYCRVQGPF-UHFFFAOYSA-N -1 0 391.826 3.229 20 30 GGEDRM N#Cc1ccc(NC(=O)c2ccc(C#Cc3ccccc3)cc2)cc1-c1nn[n-]n1 ZINC000737718640 1428057393 /nfs/dbraw/zinc/05/73/93/1428057393.db2.gz LAEVJHMDXAWZAT-UHFFFAOYSA-N -1 0 390.406 3.390 20 30 GGEDRM N#Cc1ccc(NC(=O)[C@H](OC2CCCC2)c2ccccc2)cc1-c1nn[n-]n1 ZINC000737719225 1428079206 /nfs/dbraw/zinc/07/92/06/1428079206.db2.gz RJWBAWLYVSUOLO-LJQANCHMSA-N -1 0 388.431 3.377 20 30 GGEDRM COc1cccc(C2(C(=O)Nc3ccc(C#N)c(-c4nn[n-]n4)c3)CCCC2)c1 ZINC000737127609 1428154542 /nfs/dbraw/zinc/15/45/42/1428154542.db2.gz LWYZUEZAUVOSAB-UHFFFAOYSA-N -1 0 388.431 3.197 20 30 GGEDRM CC(C)(C)CN(CCC#N)Cc1ccc(-c2nn[n-]n2)cc1Br ZINC000824087214 1429810853 /nfs/dbraw/zinc/81/08/53/1429810853.db2.gz RMRQCHOCLPZTOC-UHFFFAOYSA-N -1 0 377.290 3.391 20 30 GGEDRM C=CCN(CCc1ccco1)Cc1ccc(-c2nn[n-]n2)cc1Br ZINC000823909602 1429817361 /nfs/dbraw/zinc/81/73/61/1429817361.db2.gz KVIVIMOMFJHKQE-UHFFFAOYSA-N -1 0 388.269 3.453 20 30 GGEDRM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H](C#N)c1ccc(Cl)cc1 ZINC000824173419 1429822901 /nfs/dbraw/zinc/82/29/01/1429822901.db2.gz YHYZEXGCZNFWQT-MRXNPFEDSA-N -1 0 396.838 3.059 20 30 GGEDRM Clc1cccc(N2CCCC2)c1C=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000826353525 1429956586 /nfs/dbraw/zinc/95/65/86/1429956586.db2.gz STYHEXQLJBDXBT-UHFFFAOYSA-N -1 0 381.871 3.244 20 30 GGEDRM C=CCN(Cc1ccc(OC)cc1)C(=O)c1nn(-c2ccc(OC)cc2)cc1[O-] ZINC000180684729 1429975482 /nfs/dbraw/zinc/97/54/82/1429975482.db2.gz CVMCEBCWUMBDCY-UHFFFAOYSA-N -1 0 393.443 3.424 20 30 GGEDRM N#C[C@@H](c1ccccc1)[C@H]1CCCN1c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000822802011 1429980430 /nfs/dbraw/zinc/98/04/30/1429980430.db2.gz UDVHBXVOTBOKHI-DLBZAZTESA-N -1 0 375.392 3.051 20 30 GGEDRM Cn1c(Cl)nc(Cl)c1C=C1CCc2cc(-c3nn[n-]n3)ccc2C1=O ZINC000822600701 1430005011 /nfs/dbraw/zinc/00/50/11/1430005011.db2.gz PXUZZDJIUXEGKV-VQHVLOKHSA-N -1 0 375.219 3.120 20 30 GGEDRM C[C@@H](C#N)CN(C)C(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735506434 1430015568 /nfs/dbraw/zinc/01/55/68/1430015568.db2.gz WSEUGBVUECAAPO-ZDUSSCGKSA-N -1 0 377.408 3.282 20 30 GGEDRM COc1ccc([C@@H]([N-]S(=O)(=O)c2ccc(F)cc2C#N)C(F)(F)F)cc1 ZINC000180748672 1430016249 /nfs/dbraw/zinc/01/62/49/1430016249.db2.gz CSLCECPRHCYDKD-OAHLLOKOSA-N -1 0 388.342 3.288 20 30 GGEDRM COc1cc(C)c(S(=O)(=O)[N-]c2cc(C#N)c(Br)cn2)cc1C ZINC000180760105 1430023274 /nfs/dbraw/zinc/02/32/74/1430023274.db2.gz RKSWRHQISREABZ-UHFFFAOYSA-N -1 0 396.266 3.142 20 30 GGEDRM CCN(C(=O)[C@@H](C)Oc1ccc(C#N)cc1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825361686 1430024752 /nfs/dbraw/zinc/02/47/52/1430024752.db2.gz HGVBIUYNDHYKAO-GFCCVEGCSA-N -1 0 396.838 3.212 20 30 GGEDRM O=C1c2cc(Br)ccc2OC1=Cc1cc(-c2nn[n-]n2)cs1 ZINC000823504251 1430033191 /nfs/dbraw/zinc/03/31/91/1430033191.db2.gz NUCYOZUOAHVLFD-LFYBBSHMSA-N -1 0 375.207 3.307 20 30 GGEDRM C=CCC[C@@H](NC(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000819734991 1430070541 /nfs/dbraw/zinc/07/05/41/1430070541.db2.gz YKYHUGBWJVWCEU-DNVCBOLYSA-N -1 0 377.448 3.458 20 30 GGEDRM O=C(C=Cc1c[nH]nc1-c1c(F)cccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000822922739 1430105038 /nfs/dbraw/zinc/10/50/38/1430105038.db2.gz IYSJMALSYZKBTM-CMDGGOBGSA-N -1 0 378.342 3.431 20 30 GGEDRM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@H](C#N)c1c(Cl)cccc1Cl ZINC000826245982 1430107909 /nfs/dbraw/zinc/10/79/09/1430107909.db2.gz NWUYWEZQXDMHBH-CQSZACIVSA-N -1 0 387.230 3.477 20 30 GGEDRM C[C@@H](OC(=O)C(C)(C)Oc1ccc(C#N)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824706956 1430118000 /nfs/dbraw/zinc/11/80/00/1430118000.db2.gz MNYDDLWVGRLCJR-CYBMUJFWSA-N -1 0 377.404 3.200 20 30 GGEDRM N#Cc1cccc(OCCCSCCOc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822837382 1430140712 /nfs/dbraw/zinc/14/07/12/1430140712.db2.gz LYSBSSXNLSSXHD-UHFFFAOYSA-N -1 0 381.461 3.319 20 30 GGEDRM COc1ccc(C=CC(=O)c2cnn(Cc3ccccc3)c2)cc1-c1nn[n-]n1 ZINC000821786240 1430147680 /nfs/dbraw/zinc/14/76/80/1430147680.db2.gz BZXYORTXNLMBNF-VQHVLOKHSA-N -1 0 386.415 3.016 20 30 GGEDRM C=CCN(Cc1cccc(C#N)c1)C(=O)c1nn(-c2ccc(OC)cc2)cc1[O-] ZINC000180990323 1430155271 /nfs/dbraw/zinc/15/52/71/1430155271.db2.gz AAPYXUVOKVKGPF-UHFFFAOYSA-N -1 0 388.427 3.287 20 30 GGEDRM C[C@@H](NC(=O)NCC(C)(C)C#N)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824499061 1430162513 /nfs/dbraw/zinc/16/25/13/1430162513.db2.gz NEVXYJJHVXQECG-CQSZACIVSA-N -1 0 389.463 3.444 20 30 GGEDRM N#CC(C(=O)NCc1ccccc1)=C([O-])c1ccc(-n2cnc3ccccc32)nc1 ZINC000181010759 1430165499 /nfs/dbraw/zinc/16/54/99/1430165499.db2.gz CVXQMYFMDCNYST-SFHVURJKSA-N -1 0 395.422 3.059 20 30 GGEDRM N#CC(C(=O)NCc1ccccc1)=C([O-])c1ccc(-n2cnc3ccccc32)nc1 ZINC000181010780 1430165619 /nfs/dbraw/zinc/16/56/19/1430165619.db2.gz CVXQMYFMDCNYST-GOSISDBHSA-N -1 0 395.422 3.059 20 30 GGEDRM C=CCC[C@H](NC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000819734189 1430192853 /nfs/dbraw/zinc/19/28/53/1430192853.db2.gz JVAUOOMVJCFXBY-QAPCUYQASA-N -1 0 377.448 3.458 20 30 GGEDRM COc1cc(-c2nn[n-]n2)ccc1CON=Cc1ccc(OC(C)C)c(OC)c1 ZINC000826173021 1430193658 /nfs/dbraw/zinc/19/36/58/1430193658.db2.gz JNCCFDCJKFQWBF-UHFFFAOYSA-N -1 0 397.435 3.222 20 30 GGEDRM C=CCN(CCc1ccccc1)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000819743709 1430211319 /nfs/dbraw/zinc/21/13/19/1430211319.db2.gz OWBNCFAQUWNPAW-INIZCTEOSA-N -1 0 376.464 3.368 20 30 GGEDRM C[C@@H](OC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1)C(C)(C)C#N ZINC000824721600 1430212724 /nfs/dbraw/zinc/21/27/24/1430212724.db2.gz BWNWDCVJQVGUEG-GFCCVEGCSA-N -1 0 378.392 3.149 20 30 GGEDRM COc1ccc(-c2cc(C(=O)[N-]S(=O)(=O)CCCC#N)sc2C)cc1 ZINC000181260385 1430258056 /nfs/dbraw/zinc/25/80/56/1430258056.db2.gz HVXYGVONEGEIGR-UHFFFAOYSA-N -1 0 378.475 3.096 20 30 GGEDRM N#CCCCS(=O)(=O)[N-]C(=O)c1ccccc1SCc1cccs1 ZINC000181265567 1430259116 /nfs/dbraw/zinc/25/91/16/1430259116.db2.gz IYIQLJOUTRZEHA-UHFFFAOYSA-N -1 0 380.516 3.404 20 30 GGEDRM CCCCCCC[C@]1(C)NC(=O)N([N-]C(=O)c2cnn(C(C)C)c2C)C1=O ZINC000181319431 1430272101 /nfs/dbraw/zinc/27/21/01/1430272101.db2.gz WNILCTGRDJTWAA-IBGZPJMESA-N -1 0 377.489 3.088 20 30 GGEDRM Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]c1cc(C#N)ccc1OC(F)F ZINC000181700108 1430343815 /nfs/dbraw/zinc/34/38/15/1430343815.db2.gz ALNLJZYNAKZMCM-UHFFFAOYSA-N -1 0 398.435 3.430 20 30 GGEDRM C[C@@H](C#N)Oc1ccccc1[N-]S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000181744935 1430351686 /nfs/dbraw/zinc/35/16/86/1430351686.db2.gz RMDTWPGFASAYDZ-ZETCQYMHSA-N -1 0 392.305 3.474 20 30 GGEDRM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1C#N)c1ccc2ccccc2c1 ZINC000181816511 1430366126 /nfs/dbraw/zinc/36/61/26/1430366126.db2.gz IURBKOMMSXUWJY-IBGZPJMESA-N -1 0 398.415 3.043 20 30 GGEDRM Cc1cc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)nn1-c1ccc(Cl)c(Cl)c1 ZINC000181880550 1430376891 /nfs/dbraw/zinc/37/68/91/1430376891.db2.gz GTSHQITYQHTOJZ-UHFFFAOYSA-N -1 0 386.202 3.206 20 30 GGEDRM CCc1cc(=O)c2cc([N-]S(=O)(=O)c3c(F)cc(C#N)cc3F)ccc2[nH]1 ZINC000182499486 1430478797 /nfs/dbraw/zinc/47/87/97/1430478797.db2.gz DUXWFAZWAIZZGW-UHFFFAOYSA-N -1 0 389.383 3.041 20 30 GGEDRM Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]c1ncccc1OCCCC#N ZINC000182532122 1430484692 /nfs/dbraw/zinc/48/46/92/1430484692.db2.gz XXYKGJQAXGTDOB-UHFFFAOYSA-N -1 0 391.497 3.034 20 30 GGEDRM Cc1cc(F)ccc1-n1ccc(C([O-])=C(C#N)c2nnc3n2CCCCC3)n1 ZINC000182875948 1430559691 /nfs/dbraw/zinc/55/96/91/1430559691.db2.gz ZDNRHYBPBJPPNO-OAHLLOKOSA-N -1 0 378.411 3.128 20 30 GGEDRM Cn1cnc(-c2ccc(C([O-])=C(C#N)c3nc(-c4ccncc4)cs3)cc2)n1 ZINC000182941195 1430576985 /nfs/dbraw/zinc/57/69/85/1430576985.db2.gz ZMERQBKLYIPWBE-INIZCTEOSA-N -1 0 386.440 3.491 20 30 GGEDRM CCN(CC)C(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000183023672 1430595294 /nfs/dbraw/zinc/59/52/94/1430595294.db2.gz GVDGNUDTOBSONY-UHFFFAOYSA-N -1 0 391.880 3.494 20 30 GGEDRM C=C(C)CN(C)C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2OC)ccc1C ZINC000183045262 1430599229 /nfs/dbraw/zinc/59/92/29/1430599229.db2.gz LPIDPRJKPKQWQL-UHFFFAOYSA-N -1 0 388.489 3.453 20 30 GGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cnc(-c3cccc(O)c3)nc2)c(Cl)c1 ZINC000183043679 1430599309 /nfs/dbraw/zinc/59/93/09/1430599309.db2.gz IXYCPAKKEIMSIH-UHFFFAOYSA-N -1 0 386.820 3.175 20 30 GGEDRM CCc1cc(=O)c2cc([N-]S(=O)(=O)c3ccc(C#N)cc3Cl)ccc2[nH]1 ZINC000183110379 1430616163 /nfs/dbraw/zinc/61/61/63/1430616163.db2.gz PMZQFQIVKQDHPG-UHFFFAOYSA-N -1 0 387.848 3.416 20 30 GGEDRM Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1O[C@H](C)C#N ZINC000183131217 1430623657 /nfs/dbraw/zinc/62/36/57/1430623657.db2.gz NRSGHERMQZIIAI-LLVKDONJSA-N -1 0 379.369 3.134 20 30 GGEDRM Cc1cc(F)c(S(=O)(=O)[N-]c2ccccc2O[C@H](C)C#N)cc1[N+](=O)[O-] ZINC000183132582 1430624327 /nfs/dbraw/zinc/62/43/27/1430624327.db2.gz FMTSTBWVRMFNIF-LLVKDONJSA-N -1 0 379.369 3.134 20 30 GGEDRM 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386.408 3.001 20 30 GGEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccc(-c2noc(C3CC3)n2)c1 ZINC000184866439 1431007408 /nfs/dbraw/zinc/00/74/08/1431007408.db2.gz NKDKAEDYKTVVFX-UHFFFAOYSA-N -1 0 396.428 3.295 20 30 GGEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1cnn(-c2cc(C)ccc2C)c1C ZINC000184870222 1431008095 /nfs/dbraw/zinc/00/80/95/1431008095.db2.gz OQMAWTJFINAGIJ-UHFFFAOYSA-N -1 0 396.472 3.479 20 30 GGEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc(C)n(-c2cc(C)cc(C)c2)n1 ZINC000184874873 1431009358 /nfs/dbraw/zinc/00/93/58/1431009358.db2.gz QCJWMTPVERBVPZ-UHFFFAOYSA-N -1 0 396.472 3.479 20 30 GGEDRM C=CCN(Cc1cccc(C#N)c1)S(=O)(=O)c1cc(C)c(F)c(C(=O)[O-])c1 ZINC000184962363 1431031858 /nfs/dbraw/zinc/03/18/58/1431031858.db2.gz WGXBIECSJKRJJB-UHFFFAOYSA-N -1 0 388.420 3.081 20 30 GGEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc(C)nn1-c1ccc(F)cc1 ZINC000185609169 1431183107 /nfs/dbraw/zinc/18/31/07/1431183107.db2.gz YUQIPJOYRHCJLQ-UHFFFAOYSA-N -1 0 386.408 3.001 20 30 GGEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccnn1-c1cccc(Cl)c1 ZINC000185612358 1431183899 /nfs/dbraw/zinc/18/38/99/1431183899.db2.gz WYSSWLZQXKOYDL-UHFFFAOYSA-N -1 0 388.836 3.207 20 30 GGEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(Cc2ccncc2)cc1 ZINC000185638215 1431191530 /nfs/dbraw/zinc/19/15/30/1431191530.db2.gz RSSCGJXLVKIOJE-UHFFFAOYSA-N -1 0 379.441 3.353 20 30 GGEDRM Cn1nc(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)cc1OC(F)F ZINC000186208343 1431352826 /nfs/dbraw/zinc/35/28/26/1431352826.db2.gz UNJCWFQBSKFNPY-QMMMGPOBSA-N -1 0 381.289 3.256 20 30 GGEDRM C#CCOc1ccccc1NC(=O)c1ccc2c(c1)[n-]c(=S)n(CC=C)c2=O ZINC000186430008 1431416488 /nfs/dbraw/zinc/41/64/88/1431416488.db2.gz VIYGWIMXPKYJCC-UHFFFAOYSA-N -1 0 391.452 3.136 20 30 GGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3cc([N+](=O)[O-])ccc3n2)c(Cl)c1 ZINC000186607462 1431467555 /nfs/dbraw/zinc/46/75/55/1431467555.db2.gz CDOFYOUKPRXWBA-UHFFFAOYSA-N -1 0 388.792 3.469 20 30 GGEDRM N#Cc1cnc2ccccc2c1N1CCN(C(=O)c2cc(F)c([O-])c(F)c2)CC1 ZINC000186730902 1431504216 /nfs/dbraw/zinc/50/42/16/1431504216.db2.gz SSOVBFRKJOULKN-UHFFFAOYSA-N -1 0 394.381 3.053 20 30 GGEDRM CC[C@H](C#N)Oc1cc(CNC(=O)c2cc(F)c([O-])c(F)c2)ccc1OC ZINC000186811569 1431523897 /nfs/dbraw/zinc/52/38/97/1431523897.db2.gz ITOMOGYUDAEFHM-CYBMUJFWSA-N -1 0 376.359 3.290 20 30 GGEDRM CCn1cnnc1-c1cccc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c1 ZINC000186939883 1431571848 /nfs/dbraw/zinc/57/18/48/1431571848.db2.gz RFGJJGITMMWNBN-UHFFFAOYSA-N -1 0 387.852 3.291 20 30 GGEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(CN3CCCC3=O)cc2)c1 ZINC000186953890 1431575991 /nfs/dbraw/zinc/57/59/91/1431575991.db2.gz LINGDHXUBNOYGM-UHFFFAOYSA-N -1 0 389.864 3.135 20 30 GGEDRM CC(C)(C)c1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2[N+](=O)[O-])c1O ZINC000187082016 1431608614 /nfs/dbraw/zinc/60/86/14/1431608614.db2.gz XTPJXJJHIGVIKH-UHFFFAOYSA-N -1 0 375.406 3.270 20 30 GGEDRM N#Cc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2OC[C@@H]2CCOC2)cc1 ZINC000187168770 1431636656 /nfs/dbraw/zinc/63/66/56/1431636656.db2.gz TXWSSVBZMGWTEP-CQSZACIVSA-N -1 0 392.864 3.428 20 30 GGEDRM Cn1c(C(C#N)=C([O-])c2cn(-c3cccc(Cl)c3)nn2)nc2ccccc21 ZINC000187234785 1431659433 /nfs/dbraw/zinc/65/94/33/1431659433.db2.gz JCIFBAJKRJCZGD-AWEZNQCLSA-N -1 0 376.807 3.297 20 30 GGEDRM C=C[C@@](C)(CCOC)C(=O)[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1C ZINC000187620347 1431780542 /nfs/dbraw/zinc/78/05/42/1431780542.db2.gz ZKYDPKRBPNEJHA-HNNXBMFYSA-N -1 0 379.400 3.048 20 30 GGEDRM Cn1cnnc1Sc1ccc(NC(=O)c2ccc(C#N)c([O-])c2)cc1Cl ZINC000187811034 1431815246 /nfs/dbraw/zinc/81/52/46/1431815246.db2.gz GZTKZKITEQNLBO-UHFFFAOYSA-N -1 0 385.836 3.449 20 30 GGEDRM N#Cc1cccc(S(=O)(=O)[N-]c2cc(Cl)ccc2OC[C@@H]2CCOC2)c1 ZINC000187852882 1431820345 /nfs/dbraw/zinc/82/03/45/1431820345.db2.gz LJHRTGKASYSRPE-CQSZACIVSA-N -1 0 392.864 3.428 20 30 GGEDRM N#Cc1ccc(C(=O)Nc2cc(-c3ccc(Cl)cc3)nn2CCO)cc1[O-] ZINC000188068141 1431841978 /nfs/dbraw/zinc/84/19/78/1431841978.db2.gz NRCAQJBSVNWQIM-UHFFFAOYSA-N -1 0 382.807 3.025 20 30 GGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3nnc(C4CCC4)n3c2)cc1Cl ZINC000188237186 1431864737 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375.406 3.303 20 30 GGEDRM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2O[C@@H](C)C#N)c1[N+](=O)[O-] ZINC000189322536 1432086094 /nfs/dbraw/zinc/08/60/94/1432086094.db2.gz YPDQQYRYMLNVPF-ZDUSSCGKSA-N -1 0 375.406 3.303 20 30 GGEDRM N#Cc1ccc(C(=O)Nc2ccc(NC(=O)NCc3ccco3)cc2)cc1[O-] ZINC000190015971 1432305439 /nfs/dbraw/zinc/30/54/39/1432305439.db2.gz ORALUTQLKOUHKV-UHFFFAOYSA-N -1 0 376.372 3.431 20 30 GGEDRM C=CCn1c(=O)c2ccc(C(=O)Nc3ccccc3CCOC)cc2[n-]c1=S ZINC000190606140 1432418418 /nfs/dbraw/zinc/41/84/18/1432418418.db2.gz FQAJURISCMMHJA-UHFFFAOYSA-N -1 0 395.484 3.312 20 30 GGEDRM Cc1nc(COc2ccccc2C([O-])=C(C#N)c2cnc3ccccc3n2)no1 ZINC000190937694 1432533478 /nfs/dbraw/zinc/53/34/78/1432533478.db2.gz RUDHQMFHJBFZBY-HNNXBMFYSA-N -1 0 385.383 3.390 20 30 GGEDRM N#CC(=C([O-])c1ccn(-c2ccccc2[N+](=O)[O-])n1)c1cnc2ccccc2n1 ZINC000190945843 1432535337 /nfs/dbraw/zinc/53/53/37/1432535337.db2.gz ZMTDWDNVNKEZAK-ZDUSSCGKSA-N -1 0 384.355 3.214 20 30 GGEDRM N#Cc1ccc(C(=O)Nc2ccc(C(=O)NCCc3ccccc3)cc2)cc1[O-] ZINC000190958669 1432537781 /nfs/dbraw/zinc/53/77/81/1432537781.db2.gz KFURQALMIKKCHH-UHFFFAOYSA-N -1 0 385.423 3.489 20 30 GGEDRM COCc1nnc(-c2cccc(C([O-])=C(C#N)c3cnc4ccccc4n3)c2)o1 ZINC000190971771 1432540694 /nfs/dbraw/zinc/54/06/94/1432540694.db2.gz IPOMHAXZMOHHEV-HNNXBMFYSA-N -1 0 385.383 3.316 20 30 GGEDRM N#CC(=C([O-])c1ccn(-c2cccc([N+](=O)[O-])c2)n1)c1cnc2ccccc2n1 ZINC000190979075 1432542325 /nfs/dbraw/zinc/54/23/25/1432542325.db2.gz GDXORRSVNWSUGF-OAHLLOKOSA-N -1 0 384.355 3.214 20 30 GGEDRM N#CC(=C([O-])c1ccn(-c2cccc([N+](=O)[O-])c2)n1)c1cnc2ccccc2n1 ZINC000190979089 1432542485 /nfs/dbraw/zinc/54/24/85/1432542485.db2.gz GDXORRSVNWSUGF-HNNXBMFYSA-N -1 0 384.355 3.214 20 30 GGEDRM C=CCN(CC(=O)[O-])C(=O)c1cc(-c2ccccc2)nc2c1cnn2C(C)C ZINC000191249707 1432604589 /nfs/dbraw/zinc/60/45/89/1432604589.db2.gz ZSKNOZSDAIZQDV-UHFFFAOYSA-N -1 0 378.432 3.392 20 30 GGEDRM C=CCN(CC(=O)[O-])C(=O)c1cccc(NC(=O)CCCc2cccs2)c1 ZINC000191251508 1432605697 /nfs/dbraw/zinc/60/56/97/1432605697.db2.gz UVSVKQWAHJQAGU-UHFFFAOYSA-N -1 0 386.473 3.422 20 30 GGEDRM O=C(NCC(F)(F)C(F)F)c1nn(-c2ccccc2C(F)(F)F)cc1[O-] ZINC000191790863 1432725812 /nfs/dbraw/zinc/72/58/12/1432725812.db2.gz LJHCDYGRLAWCLN-UHFFFAOYSA-N -1 0 385.239 3.227 20 30 GGEDRM C=C[C@](C)(CC)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)nc(C)n2)cc1 ZINC000191791082 1432725922 /nfs/dbraw/zinc/72/59/22/1432725922.db2.gz KQVKLGJQKKPXPM-LJQANCHMSA-N -1 0 388.493 3.435 20 30 GGEDRM Cc1cc(C)c(S(=O)(=O)[N-]c2ccccc2O[C@@H](C)C#N)cc1[N+](=O)[O-] ZINC000191798915 1432727718 /nfs/dbraw/zinc/72/77/18/1432727718.db2.gz LAKPLPFINGYYGB-ZDUSSCGKSA-N -1 0 375.406 3.303 20 30 GGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2c3c(nn2-c2ccc(Cl)cc2)CCC3)cn1 ZINC000191839441 1432737262 /nfs/dbraw/zinc/73/72/62/1432737262.db2.gz KHPBVHORMYTICW-UHFFFAOYSA-N -1 0 399.863 3.082 20 30 GGEDRM Cc1c(C([O-])=C(C#N)c2nc3ccccc3[nH]2)nnn1Cc1ccc(F)cc1F ZINC000192188232 1432813640 /nfs/dbraw/zinc/81/36/40/1432813640.db2.gz ZVCATMKVJYJWJE-AWEZNQCLSA-N -1 0 392.369 3.279 20 30 GGEDRM Cc1c(C([O-])=C(C#N)c2nc3ccccc3[nH]2)nnn1Cc1ccc(F)cc1F ZINC000192188225 1432813671 /nfs/dbraw/zinc/81/36/71/1432813671.db2.gz ZVCATMKVJYJWJE-CQSZACIVSA-N -1 0 392.369 3.279 20 30 GGEDRM CCCCCCC[C@]1(C)NC(=O)N([N-]C(=O)C(F)(F)c2ncccc2C)C1=O ZINC000192667636 1432873394 /nfs/dbraw/zinc/87/33/94/1432873394.db2.gz JPTSUJZVOYOTEE-SFHVURJKSA-N -1 0 396.438 3.184 20 30 GGEDRM C=CCn1c(=O)c2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3C)cc2[n-]c1=S ZINC000192713015 1432878626 /nfs/dbraw/zinc/87/86/26/1432878626.db2.gz GVNUWEQIHLPNFG-UHFFFAOYSA-N -1 0 396.428 3.340 20 30 GGEDRM C=CCn1c(=O)c2ccc(C(=O)N(Cc3ccccn3)C3CC3)cc2[n-]c1=S ZINC000192766705 1432887271 /nfs/dbraw/zinc/88/72/71/1432887271.db2.gz WPDAEDKPPKEQFJ-UHFFFAOYSA-N -1 0 392.484 3.071 20 30 GGEDRM CC(=O)c1cc(C([O-])=C(C#N)c2nc(N)nc(Nc3ccccc3)n2)ccc1C ZINC000192782068 1432890172 /nfs/dbraw/zinc/89/01/72/1432890172.db2.gz PAMROHXLXLOSBU-KRWDZBQOSA-N -1 0 386.415 3.199 20 30 GGEDRM CCCCCCC[C@]1(C)NC(=O)N([N-]C(=O)c2cc(-c3ccco3)on2)C1=O ZINC000192792742 1432891818 /nfs/dbraw/zinc/89/18/18/1432891818.db2.gz XAXGOQAMAVMUOT-IBGZPJMESA-N -1 0 388.424 3.250 20 30 GGEDRM C=CCn1c(=O)c2ccc(C(=O)N3CCC[C@H]3c3cccn3C)cc2[n-]c1=S ZINC000192916672 1432907238 /nfs/dbraw/zinc/90/72/38/1432907238.db2.gz NLRDRYATKBISFR-SFHVURJKSA-N -1 0 394.500 3.187 20 30 GGEDRM Cc1oc2ncn(C)c(=O)c2c1C([O-])=C(C#N)c1nc2ccccc2n1C(F)F ZINC000193284575 1432973937 /nfs/dbraw/zinc/97/39/37/1432973937.db2.gz RBEFTVNLLGKUMQ-JTQLQIEISA-N -1 0 397.341 3.070 20 30 GGEDRM COc1ccc(CNC(=O)C(C#N)=C([O-])c2ccc(C(F)(F)F)nc2C)cc1 ZINC000193381477 1432988256 /nfs/dbraw/zinc/98/82/56/1432988256.db2.gz USZQIIUJDBNZLE-OAHLLOKOSA-N -1 0 391.349 3.056 20 30 GGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc(COc2ccccc2C#N)o1 ZINC000193382791 1432988349 /nfs/dbraw/zinc/98/83/49/1432988349.db2.gz RQZFRHRSADFVIJ-KRWDZBQOSA-N -1 0 379.416 3.359 20 30 GGEDRM CSc1ncc(Cl)c(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2)n1 ZINC000193397650 1432990907 /nfs/dbraw/zinc/99/09/07/1432990907.db2.gz UZZKDIBRBIWNDO-SNVBAGLBSA-N -1 0 381.244 3.466 20 30 GGEDRM COCCNC(=O)C(C#N)=C([O-])c1ccc(COc2ccc3ccccc3c2)o1 ZINC000193414563 1432994145 /nfs/dbraw/zinc/99/41/45/1432994145.db2.gz NGSYJFXCNMICBM-IBGZPJMESA-N -1 0 392.411 3.097 20 30 GGEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1nn(-c2ccccc2)c2c1CCC2 ZINC000193433324 1432998293 /nfs/dbraw/zinc/99/82/93/1432998293.db2.gz AZJIHNCRCHOAPJ-SFHVURJKSA-N -1 0 376.460 3.132 20 30 GGEDRM CCc1ccc(C([O-])=C(C#N)C(=O)NCCc2ccc(OC)c(OC)c2)s1 ZINC000193455771 1433002180 /nfs/dbraw/zinc/00/21/80/1433002180.db2.gz KDTUKLLUWTXGBB-HNNXBMFYSA-N -1 0 386.473 3.009 20 30 GGEDRM N#CCOc1ccccc1C(=O)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000193597670 1433026189 /nfs/dbraw/zinc/02/61/89/1433026189.db2.gz GWKODWLVCVVKOJ-UHFFFAOYSA-N -1 0 391.257 3.076 20 30 GGEDRM COCCNC(=O)C(C#N)=C([O-])c1cccc(OCc2cccc(Cl)c2)c1 ZINC000193610767 1433028583 /nfs/dbraw/zinc/02/85/83/1433028583.db2.gz OBVSSPLQPAFTDY-GOSISDBHSA-N -1 0 386.835 3.004 20 30 GGEDRM COc1ccc(-n2c(C)cc(C([O-])=C(C#N)C(=O)NC3CCCC3)c2C)cc1 ZINC000193763980 1433055054 /nfs/dbraw/zinc/05/50/54/1433055054.db2.gz HWDHAUONAWUSRW-FQEVSTJZSA-N -1 0 379.460 3.484 20 30 GGEDRM Cc1nc(-c2ccccc2)c(C(=O)[N-]S(=O)(=O)c2cccc(C#N)c2)s1 ZINC000194005012 1433099480 /nfs/dbraw/zinc/09/94/80/1433099480.db2.gz IFAOLYKIXBFNTI-UHFFFAOYSA-N -1 0 383.454 3.109 20 30 GGEDRM N#CCc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)cc1 ZINC000194173006 1433131736 /nfs/dbraw/zinc/13/17/36/1433131736.db2.gz GOTUKVPQKWSHCS-UHFFFAOYSA-N -1 0 396.222 3.224 20 30 GGEDRM COc1ccc(CNC(=O)C(C#N)=C([O-])c2cc(Br)cs2)cc1 ZINC000194590065 1433202434 /nfs/dbraw/zinc/20/24/34/1433202434.db2.gz RNPDYJLRLZUMOQ-ZDUSSCGKSA-N -1 0 393.262 3.158 20 30 GGEDRM COc1ccc(CNC(=O)C(C#N)=C([O-])c2cc(Br)cs2)cc1 ZINC000194590078 1433202507 /nfs/dbraw/zinc/20/25/07/1433202507.db2.gz RNPDYJLRLZUMOQ-CYBMUJFWSA-N -1 0 393.262 3.158 20 30 GGEDRM CCCCCCCS(=O)(=O)[N-]c1nc2ccc(S(C)(=O)=O)cc2s1 ZINC000194786508 1433232129 /nfs/dbraw/zinc/23/21/29/1433232129.db2.gz RZAJFSZGJUYZRY-UHFFFAOYSA-N -1 0 390.552 3.412 20 30 GGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2nnc(CCc3ccccc3)o2)cc1Cl ZINC000194846908 1433247697 /nfs/dbraw/zinc/24/76/97/1433247697.db2.gz SJYUEXXEUZPJPU-UHFFFAOYSA-N -1 0 388.836 3.181 20 30 GGEDRM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1nnc(CCCc2cccs2)o1 ZINC000194925519 1433265929 /nfs/dbraw/zinc/26/59/29/1433265929.db2.gz QTUDRXFIUBSHHO-UHFFFAOYSA-N -1 0 388.474 3.287 20 30 GGEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1nnc(CCCc2cccs2)o1 ZINC000194933344 1433267425 /nfs/dbraw/zinc/26/74/25/1433267425.db2.gz VLGAPFWEHDCMGR-UHFFFAOYSA-N -1 0 388.474 3.287 20 30 GGEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1nnc(C(C)(C)c2ccccc2)o1 ZINC000194937822 1433268514 /nfs/dbraw/zinc/26/85/14/1433268514.db2.gz FTNKBTQCDNVGDA-UHFFFAOYSA-N -1 0 398.444 3.077 20 30 GGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2nnc(Cc3ccccc3F)o2)c(Cl)c1 ZINC000194946156 1433270499 /nfs/dbraw/zinc/27/04/99/1433270499.db2.gz YVOAUIMLWBSRGZ-UHFFFAOYSA-N -1 0 392.799 3.125 20 30 GGEDRM COc1ccc2c(c1)[nH]nc2[N-]S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000194999493 1433278824 /nfs/dbraw/zinc/27/88/24/1433278824.db2.gz GOQFGIVNHDBPLX-UHFFFAOYSA-N -1 0 396.350 3.263 20 30 GGEDRM COc1ccc(CCNC(=O)C(C#N)=C([O-])c2csc(CC(C)C)n2)cc1 ZINC000195287008 1433315220 /nfs/dbraw/zinc/31/52/20/1433315220.db2.gz DLXWDYFDBRGXIU-INIZCTEOSA-N -1 0 385.489 3.032 20 30 GGEDRM CC(C)Cc1nc(C([O-])=C(C#N)C(=O)Nc2ccc(C(=O)N(C)C)cc2)cs1 ZINC000195286957 1433315221 /nfs/dbraw/zinc/31/52/21/1433315221.db2.gz PBMFDISUHDNKDA-HNNXBMFYSA-N -1 0 398.488 3.005 20 30 GGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3[nH]c(-c4ccc(F)cc4)nc3c2)cn1 ZINC000195443046 1433330007 /nfs/dbraw/zinc/33/00/07/1433330007.db2.gz IDMUAKHCOMJDQH-UHFFFAOYSA-N -1 0 393.403 3.436 20 30 GGEDRM Cc1c([N-]S(=O)(=O)c2ccc(C#N)nc2)cccc1NC(=O)c1ccccc1 ZINC000195444845 1433330398 /nfs/dbraw/zinc/33/03/98/1433330398.db2.gz GZWMOXDLTOLDQQ-UHFFFAOYSA-N -1 0 392.440 3.315 20 30 GGEDRM CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000195445921 1433330614 /nfs/dbraw/zinc/33/06/14/1433330614.db2.gz BDPMMHVZAWCUCW-UHFFFAOYSA-N -1 0 381.797 3.319 20 30 GGEDRM N#Cc1cccc(CS(=O)(=O)[N-]C(=O)CSc2ccc3ccccc3c2)c1 ZINC000195495262 1433336563 /nfs/dbraw/zinc/33/65/63/1433336563.db2.gz MDOJAVDVQPCXRT-UHFFFAOYSA-N -1 0 396.493 3.450 20 30 GGEDRM N#Cc1cccc(CS(=O)(=O)[N-]C(=O)C2(c3cccc(F)c3)CCCC2)c1 ZINC000195495269 1433336686 /nfs/dbraw/zinc/33/66/86/1433336686.db2.gz QXPNYEZVZWHSNN-UHFFFAOYSA-N -1 0 386.448 3.155 20 30 GGEDRM N#Cc1cccc(CS(=O)(=O)[N-]C(=O)CCCOc2ccc(Cl)cc2)c1 ZINC000195495132 1433336742 /nfs/dbraw/zinc/33/67/42/1433336742.db2.gz MSXQSPBUNPJEKB-UHFFFAOYSA-N -1 0 392.864 3.017 20 30 GGEDRM Cc1c(C(=O)[N-]S(=O)(=O)Cc2cccc(C#N)c2)oc2c1c(C)ccc2C ZINC000195496843 1433336780 /nfs/dbraw/zinc/33/67/80/1433336780.db2.gz WJWOHYVRXJFRIU-UHFFFAOYSA-N -1 0 382.441 3.490 20 30 GGEDRM C[C@H](Sc1ccccc1Cl)C(=O)[N-]S(=O)(=O)Cc1cccc(C#N)c1 ZINC000195497129 1433336792 /nfs/dbraw/zinc/33/67/92/1433336792.db2.gz YXVISEAFWGVBIL-LBPRGKRZSA-N -1 0 394.905 3.338 20 30 GGEDRM CC(C)(C)c1ccc(CCC(=O)[N-]S(=O)(=O)Cc2cccc(C#N)c2)cc1 ZINC000195495388 1433336838 /nfs/dbraw/zinc/33/68/38/1433336838.db2.gz FAQIBZGFZMLOOH-UHFFFAOYSA-N -1 0 384.501 3.435 20 30 GGEDRM N#Cc1cccc(CS(=O)(=O)[N-]C(=O)CCc2ccc(Cl)cc2Cl)c1 ZINC000195495454 1433336926 /nfs/dbraw/zinc/33/69/26/1433336926.db2.gz SOVCAKNBQZJMMQ-UHFFFAOYSA-N -1 0 397.283 3.444 20 30 GGEDRM N#Cc1cccc(CS(=O)(=O)[N-]C(=O)CSCc2cccc(Cl)c2)c1 ZINC000195495836 1433336944 /nfs/dbraw/zinc/33/69/44/1433336944.db2.gz FMQUABGMRLAYLY-UHFFFAOYSA-N -1 0 394.905 3.091 20 30 GGEDRM CC1(C)Cc2cccc(S(=O)(=O)[N-]c3ccc(F)cc3OCC#N)c2O1 ZINC000195504959 1433337682 /nfs/dbraw/zinc/33/76/82/1433337682.db2.gz YGTDOYMTQUTFEF-UHFFFAOYSA-N -1 0 376.409 3.242 20 30 GGEDRM CCOC(=O)C1=C(Nc2ccccc2)OC(=Cc2ccc([O-])c([N+](=O)[O-])c2)C1=O ZINC000205814268 1433353331 /nfs/dbraw/zinc/35/33/31/1433353331.db2.gz DJBDEDDXRWUYNN-LFIBNONCSA-N -1 0 396.355 3.127 20 30 GGEDRM COc1ccc(C(=O)/C=C\c2cc(OC)c(OC)cc2OC)cc1CC(=O)[O-] ZINC000207707589 1433354873 /nfs/dbraw/zinc/35/48/73/1433354873.db2.gz CNHHQSMEUUUXLG-ALCCZGGFSA-N -1 0 386.400 3.244 20 30 GGEDRM Cc1cc(S(=O)(=O)[N-]c2cnc(Cl)c(Br)c2)ccc1C#N ZINC000219496072 1433365507 /nfs/dbraw/zinc/36/55/07/1433365507.db2.gz FPEWYUKBRJRFRF-UHFFFAOYSA-N -1 0 386.658 3.478 20 30 GGEDRM CN(c1cccc(C#N)c1)S(=O)(=O)c1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC000237050739 1433387123 /nfs/dbraw/zinc/38/71/23/1433387123.db2.gz OCHRCCWIEZXQFA-UHFFFAOYSA-N -1 0 384.335 3.100 20 30 GGEDRM C[C@H](Oc1ccccc1C#N)C(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000237680752 1433416539 /nfs/dbraw/zinc/41/65/39/1433416539.db2.gz PGGOFUUXVAWSMP-ZBEGNZNMSA-N -1 0 390.798 3.450 20 30 GGEDRM COc1ccc(/C=C\C(=O)c2ccc([O-])c(CN3CCOCC3)c2)cc1C#N ZINC000255037657 1433874748 /nfs/dbraw/zinc/87/47/48/1433874748.db2.gz KYCHBYREOWMXGD-DJWKRKHSSA-N -1 0 378.428 3.001 20 30 GGEDRM O=[N+]([O-])c1ccc([O-])c(/C=N\C[C@H](c2ccccc2Cl)N2CCOCC2)c1 ZINC000255044945 1433874839 /nfs/dbraw/zinc/87/48/39/1433874839.db2.gz OBOQOGBJRQXWGE-UZQMFHLOSA-N -1 0 389.839 3.446 20 30 GGEDRM O=C(/C=C\c1cc([O-])ccc1[N+](=O)[O-])c1ccc(S(=O)(=O)CC(F)F)cc1 ZINC000255064364 1433875438 /nfs/dbraw/zinc/87/54/38/1433875438.db2.gz PELKWSBQKWNHHL-BAQGIRSFSA-N -1 0 397.355 3.235 20 30 GGEDRM Cc1cccn2c(/C=C\C(=O)c3ccc([O-])c(CN4CCOCC4)c3)cnc12 ZINC000255113426 1433876600 /nfs/dbraw/zinc/87/66/00/1433876600.db2.gz HLLPYAOHXZZIEO-ALCCZGGFSA-N -1 0 377.444 3.077 20 30 GGEDRM O=C1CCC(=O)N1Cc1ccc(N=Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1 ZINC000255342076 1433880964 /nfs/dbraw/zinc/88/09/64/1433880964.db2.gz MQIUPJAUNZPZIJ-UHFFFAOYSA-N -1 0 387.779 3.353 20 30 GGEDRM Cc1nn(-c2ccc(Cl)cc2)c(C)c1C=CC([O-])=C1C(=O)C=C(C)OC1=O ZINC000255391849 1433882104 /nfs/dbraw/zinc/88/21/04/1433882104.db2.gz RCARLNLRTLNWMS-OLHLWXQYSA-N -1 0 384.819 3.371 20 30 GGEDRM C/C(=C/C(=O)[N-]S(=O)(=O)c1cccc(C#N)c1)c1ccccc1OC(F)F ZINC000255436212 1433882963 /nfs/dbraw/zinc/88/29/63/1433882963.db2.gz CTZFCHDFRUVSHV-XFXZXTDPSA-N -1 0 392.383 3.068 20 30 GGEDRM Cc1ccc(N=Cc2cc([N+](=O)[O-])ccc2[O-])c(C)c1S(=O)(=O)NC1CC1 ZINC000255715560 1433888401 /nfs/dbraw/zinc/88/84/01/1433888401.db2.gz XCYUCWCWSPILCN-UHFFFAOYSA-N -1 0 389.433 3.109 20 30 GGEDRM O=C(/C=C\c1ccc([N+](=O)[O-])c([O-])c1)c1ccc(S(=O)(=O)CC(F)F)cc1 ZINC000255737441 1433888812 /nfs/dbraw/zinc/88/88/12/1433888812.db2.gz NPTPWWGIKNYIKF-WAPJZHGLSA-N -1 0 397.355 3.235 20 30 GGEDRM CCCOc1c(Cl)cc(/C=C\C(=O)c2cnc([O-])n(C)c2=O)cc1OCC ZINC000255919347 1433891992 /nfs/dbraw/zinc/89/19/92/1433891992.db2.gz FCKWUGNLILLZKQ-SREVYHEPSA-N -1 0 392.839 3.223 20 30 GGEDRM C=CCC[C@H](NC(=O)c1cc(NC(=O)NC(C)(C)C)ccc1Cl)C(=O)[O-] ZINC000262770246 1433955216 /nfs/dbraw/zinc/95/52/16/1433955216.db2.gz AGJDOQRQNPXURP-AWEZNQCLSA-N -1 0 381.860 3.409 20 30 GGEDRM C=CCC[C@@H](NC(=O)CCc1c(C)nn(Cc2ccc(C)cc2)c1C)C(=O)[O-] ZINC000262793504 1433956705 /nfs/dbraw/zinc/95/67/05/1433956705.db2.gz BZOMEXWWQCMZEA-HXUWFJFHSA-N -1 0 383.492 3.325 20 30 GGEDRM C=CCC[C@H](NC(=O)Cc1c(C)nn(-c2ccc(Cl)cc2)c1C)C(=O)[O-] ZINC000262802444 1433957322 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ZINC000822145308 1441501833 /nfs/dbraw/zinc/50/18/33/1441501833.db2.gz QFWGLTWHOUXDNB-SJLPKXTDSA-N -1 0 388.431 3.390 20 30 GGEDRM CC(C)N(CCC#N)C(=O)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1 ZINC000735859070 1441528636 /nfs/dbraw/zinc/52/86/36/1441528636.db2.gz NTPJKXNYUPXQSF-UHFFFAOYSA-N -1 0 390.447 3.210 20 30 GGEDRM Cc1cc(C(=O)C=Cc2cn(C)nc2-c2ccc(-c3nn[n-]n3)cc2)ccc1O ZINC000826256871 1441553780 /nfs/dbraw/zinc/55/37/80/1441553780.db2.gz DMKXFCYOITZNOO-CSKARUKUSA-N -1 0 386.415 3.177 20 30 GGEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)CN1C(=O)[C@H](C)[C@H]1c1ccccc1 ZINC000819745734 1441559938 /nfs/dbraw/zinc/55/99/38/1441559938.db2.gz QLPPBJBMCSJTMG-UZLBHIALSA-N -1 0 388.475 3.032 20 30 GGEDRM COc1ccc(CSc2nc3c(cc2-c2nn[n-]n2)CCCC3)cc1C#N ZINC000826208064 1441565517 /nfs/dbraw/zinc/56/55/17/1441565517.db2.gz QZYPRAAQQNARCJ-UHFFFAOYSA-N -1 0 378.461 3.313 20 30 GGEDRM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NCc2nc3ccc(Cl)cc3n2C)o1 ZINC000824280320 1441570593 /nfs/dbraw/zinc/57/05/93/1441570593.db2.gz 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20 30 GGEDRM N#Cc1ccc(NC(=O)c2ncoc2-c2ccccc2Cl)cc1-c1nnn[n-]1 ZINC000737718321 1441908598 /nfs/dbraw/zinc/90/85/98/1441908598.db2.gz HSOKGXZFXMTEJN-UHFFFAOYSA-N -1 0 391.778 3.299 20 30 GGEDRM N#Cc1cccc(C(=O)NCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)c1 ZINC000826386587 1441909154 /nfs/dbraw/zinc/90/91/54/1441909154.db2.gz KWNNGEVVCYGWLS-UHFFFAOYSA-N -1 0 380.411 3.335 20 30 GGEDRM N#Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2F)cc1-c1nn[n-]n1 ZINC000822829722 1441919687 /nfs/dbraw/zinc/91/96/87/1441919687.db2.gz GEUJKYVNNGEWEF-UHFFFAOYSA-N -1 0 376.273 3.149 20 30 GGEDRM Cc1oc(-c2ccsc2)nc1CSc1nc(N)c(-c2nnn[n-]2)cc1C#N ZINC000737548825 1441954345 /nfs/dbraw/zinc/95/43/45/1441954345.db2.gz SEPDYMZNBPAHBF-UHFFFAOYSA-N -1 0 396.461 3.033 20 30 GGEDRM N#CCc1cccc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2Br)c1 ZINC000826382835 1441991607 /nfs/dbraw/zinc/99/16/07/1441991607.db2.gz XFCJUIPOGGMHFL-UHFFFAOYSA-N -1 0 398.220 3.052 20 30 GGEDRM C[C@H](OC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1)C(C)(C)C#N ZINC000824721602 1442001537 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ZINC000819743884 1442220303 /nfs/dbraw/zinc/22/03/03/1442220303.db2.gz SCDQVCZRBMFMBQ-GOSISDBHSA-N -1 0 396.495 3.056 20 30 GGEDRM C#CCOc1ccc(C(C)N=Nc2oc(C(C)(C)C)nc2-c2nn[n-]n2)cc1 ZINC000735381368 1442241969 /nfs/dbraw/zinc/24/19/69/1442241969.db2.gz UWOMVYFRFRXBQP-UHFFFAOYSA-N -1 0 379.424 3.000 20 30 GGEDRM Cc1c(NC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)cccc1-c1nn[n-]n1 ZINC000822084812 1442262668 /nfs/dbraw/zinc/26/26/68/1442262668.db2.gz PURFFZXWKHYZLB-HKUYNNGSSA-N -1 0 387.447 3.479 20 30 GGEDRM CC(C)[C@@H](C#N)NC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000820017296 1442281479 /nfs/dbraw/zinc/28/14/79/1442281479.db2.gz UZOACZKKWUWZMF-MRXNPFEDSA-N -1 0 378.461 3.296 20 30 GGEDRM CC[C@@H](C#N)Oc1cccc(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC000736310318 1442349432 /nfs/dbraw/zinc/34/94/32/1442349432.db2.gz XNIIOZIRPYRXAH-AWEZNQCLSA-N -1 0 379.380 3.068 20 30 GGEDRM CC(C)(C)c1ncc(C=CC(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)s1 ZINC000819966190 1442362286 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3.039 20 30 GGEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccc(Cl)c(OC)c1 ZINC000823914133 1442430189 /nfs/dbraw/zinc/43/01/89/1442430189.db2.gz AZXJEVABBFVMKM-UHFFFAOYSA-N -1 0 383.839 3.357 20 30 GGEDRM CC(C)c1cccc2c1OCC(=Cc1cnc3ccc(-c4nn[n-]n4)cn13)C2=O ZINC000824352559 1442432549 /nfs/dbraw/zinc/43/25/49/1442432549.db2.gz IMUVEJUVXVZBDY-ZSOIEALJSA-N -1 0 386.415 3.297 20 30 GGEDRM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)OCc1ccc(C#N)cc1C ZINC000826257086 1442453567 /nfs/dbraw/zinc/45/35/67/1442453567.db2.gz MXTAQAHILBMVAI-UHFFFAOYSA-N -1 0 388.387 3.096 20 30 GGEDRM CCO[C@H]1CC(N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)C12CCCCC2 ZINC000825577288 1442457313 /nfs/dbraw/zinc/45/73/13/1442457313.db2.gz UZKJNZXPLYDIBI-ZDUSSCGKSA-N -1 0 375.864 3.442 20 30 GGEDRM CC(C)CN(C(=O)Cc1cccc(OCC#N)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824249339 1442459962 /nfs/dbraw/zinc/45/99/62/1442459962.db2.gz MDJHURGCKZCQLL-UHFFFAOYSA-N -1 0 390.447 3.001 20 30 GGEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1cc(OC)ccc1F ZINC000819745654 1442460940 /nfs/dbraw/zinc/46/09/40/1442460940.db2.gz NXRVQEONUILYBB-UHFFFAOYSA-N -1 0 382.399 3.235 20 30 GGEDRM COc1cccc2c1CC(=Cc1cn(C)nc1-c1ccc(-c3nn[n-]n3)cc1)C2=O ZINC000826217977 1442467852 /nfs/dbraw/zinc/46/78/52/1442467852.db2.gz KFHSSWZKEGJXHJ-GDNBJRDFSA-N -1 0 398.426 3.098 20 30 GGEDRM CC(=NNc1cc(-c2nn[n-]n2)cc(Cl)n1)c1c(Cl)nc2sccn21 ZINC000823953585 1442468358 /nfs/dbraw/zinc/46/83/58/1442468358.db2.gz HZHBFRWACIWRHP-UHFFFAOYSA-N -1 0 394.251 3.114 20 30 GGEDRM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000735874500 1443068285 /nfs/dbraw/zinc/06/82/85/1443068285.db2.gz PYRFZEGCSXMFNZ-UHFFFAOYSA-N -1 0 379.399 3.320 20 30 GGEDRM C#CCOc1cccc(NC(=O)N(CCC)Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735380154 1443077020 /nfs/dbraw/zinc/07/70/20/1443077020.db2.gz DLQXHDDQQFABLD-UHFFFAOYSA-N -1 0 390.447 3.323 20 30 GGEDRM CC(C)CCN(CCC#N)C(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000820076146 1443079131 /nfs/dbraw/zinc/07/91/31/1443079131.db2.gz CQMZUUNYYHLFDB-UHFFFAOYSA-N -1 0 385.472 3.448 20 30 GGEDRM N#Cc1ccc(Cc2cnc(NC(=O)c3cc(-c4nnn[n-]4)cs3)s2)cc1 ZINC000822825418 1443084112 /nfs/dbraw/zinc/08/41/12/1443084112.db2.gz FDHNRFOEVAGTLD-UHFFFAOYSA-N -1 0 393.457 3.099 20 30 GGEDRM C#CC[C@H](NCc1ccc(-c2nn[n-]n2)cc1Br)c1ccccc1 ZINC000823839117 1443112981 /nfs/dbraw/zinc/11/29/81/1443112981.db2.gz ZRHUKURTUKHSDB-KRWDZBQOSA-N -1 0 382.265 3.483 20 30 GGEDRM C=C(C)[C@H](CC(=O)Nc1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1)OCC ZINC000823873193 1443122978 /nfs/dbraw/zinc/12/29/78/1443122978.db2.gz JTYDIPSWRXQUKR-HNNXBMFYSA-N -1 0 384.465 3.300 20 30 GGEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H](CC)c1c(C)noc1C ZINC000735418991 1443149690 /nfs/dbraw/zinc/14/96/90/1443149690.db2.gz NRHSFFHADXNPCB-QGZVFWFLSA-N -1 0 380.452 3.180 20 30 GGEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)Cn1nc(C2CCC2)n(C)c1=S ZINC000823915502 1443153655 /nfs/dbraw/zinc/15/36/55/1443153655.db2.gz YQLDWCSTCDSMTO-UHFFFAOYSA-N -1 0 396.524 3.044 20 30 GGEDRM c1cc(-c2nn[n-]n2)oc1CN=Nc1nnc(-c2ccccc2)n1-c1ccccc1 ZINC000819718992 1443176510 /nfs/dbraw/zinc/17/65/10/1443176510.db2.gz WLEVGEYIILQSRH-UHFFFAOYSA-N -1 0 397.402 3.153 20 30 GGEDRM N#CCCn1cc(C(=O)COc2ccc(-c3nn[n-]n3)cc2F)c2ccccc21 ZINC000822811497 1443178667 /nfs/dbraw/zinc/17/86/67/1443178667.db2.gz ZSCFQXQIXPPRLY-UHFFFAOYSA-N -1 0 390.378 3.136 20 30 GGEDRM N#Cc1ccc(NC(=O)Cc2c[nH]c3cc(Cl)ccc23)cc1-c1nn[n-]n1 ZINC000737717133 1443180532 /nfs/dbraw/zinc/18/05/32/1443180532.db2.gz ZJZZPUWKSMTPJB-UHFFFAOYSA-N -1 0 377.795 3.054 20 30 GGEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H](C)c1ncc(C)s1 ZINC000819743404 1443205393 /nfs/dbraw/zinc/20/53/93/1443205393.db2.gz IJIUFVMHWVNHPU-ZDUSSCGKSA-N -1 0 383.481 3.090 20 30 GGEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H]1C[C@H]1c1c(F)cccc1F ZINC000735418450 1443220081 /nfs/dbraw/zinc/22/00/81/1443220081.db2.gz DXBAPUMTNDKJCL-CVEARBPZSA-N -1 0 395.413 3.463 20 30 GGEDRM COC[C@@H](C#N)OC(=O)c1cccc(Oc2cccc(Cl)c2-c2nn[n-]n2)c1 ZINC000826147523 1443308128 /nfs/dbraw/zinc/30/81/28/1443308128.db2.gz ACLSTWPQDOWMKZ-CYBMUJFWSA-N -1 0 399.794 3.008 20 30 GGEDRM Fc1cc(Cl)c(NN=Cc2cnc3ccc(-c4nn[n-]n4)cn23)c(Cl)c1 ZINC000826372403 1443309521 /nfs/dbraw/zinc/30/95/21/1443309521.db2.gz UPCANMODCIFTHD-UHFFFAOYSA-N -1 0 391.197 3.406 20 30 GGEDRM Cc1cc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)nn1C1CCCCC1 ZINC000826260465 1443355122 /nfs/dbraw/zinc/35/51/22/1443355122.db2.gz OZGPQSLTZLIZOM-UHFFFAOYSA-N -1 0 376.424 3.001 20 30 GGEDRM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1F)c1ccc(N2CCCC2=O)cc1 ZINC000822921922 1443380290 /nfs/dbraw/zinc/38/02/90/1443380290.db2.gz AJBDKOCQFFCQCT-JXMROGBWSA-N -1 0 377.379 3.029 20 30 GGEDRM N#Cc1cc(NC(=O)c2cc(C3CC3)nc3ccccc32)ccc1-c1nn[n-]n1 ZINC000737709802 1443392774 /nfs/dbraw/zinc/39/27/74/1443392774.db2.gz QOXOWFIXQFXZAZ-UHFFFAOYSA-N -1 0 381.399 3.416 20 30 GGEDRM C=CCC(CC=C)C(=O)OCc1ccc(-c2nn[n-]n2)cc1Br ZINC000823888610 1443399103 /nfs/dbraw/zinc/39/91/03/1443399103.db2.gz RRSAFHOEWLEHEF-UHFFFAOYSA-N -1 0 377.242 3.441 20 30 GGEDRM 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C=CCC[C@H](C(=O)N1C[C@H](C(=O)[O-])C[C@@H](c2cnn(C)c2)C1)c1ccccc1 ZINC001602718880 971378213 /nfs/dbraw/zinc/37/82/13/971378213.db2.gz DXDVENXVZFSYLK-GGPKGHCWSA-N -1 0 381.476 3.187 20 30 GGEDRM C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@](CC)(C(=O)[O-])C1 ZINC001602718905 971378271 /nfs/dbraw/zinc/37/82/71/971378271.db2.gz FJRNPQLINMIDQU-MGPUTAFESA-N -1 0 382.501 3.339 20 30 GGEDRM C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC001602719223 971382969 /nfs/dbraw/zinc/38/29/69/971382969.db2.gz XUBRJMNIZLYAKD-INIZCTEOSA-N -1 0 376.453 3.251 20 30 GGEDRM C=CCCCCCCCNC(=O)N1CCO[C@H](c2ccc(-c3nn[nH]n3)cc2)C1 ZINC001573335111 947472475 /nfs/dbraw/zinc/47/24/75/947472475.db2.gz LNQOHIQAVJLWTJ-IBGZPJMESA-N -1 0 398.511 3.476 20 30 GGEDRM C=CCCCCCCCNC(=O)N1CCO[C@@H](c2ccc(-c3nn[nH]n3)cc2)C1 ZINC001573335113 947472974 /nfs/dbraw/zinc/47/29/74/947472974.db2.gz LNQOHIQAVJLWTJ-LJQANCHMSA-N -1 0 398.511 3.476 20 30 GGEDRM C=CCN(Cc1ccccc1F)C(=O)C1=NN(c2ccccc2)[C@H](C(=O)[O-])C1 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CC(C)(C)CC[C@H](NC(=O)Nc1cnn(Cc2ccc(C#N)cc2)c1)C(=O)[O-] ZINC001602860475 971715229 /nfs/dbraw/zinc/71/52/29/971715229.db2.gz CJDSOJVQWUKAEI-KRWDZBQOSA-N -1 0 383.452 3.204 20 30 GGEDRM C[C@H](CN(C)C(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1)C(=O)[O-] ZINC000417774678 953418316 /nfs/dbraw/zinc/41/83/16/953418316.db2.gz LHYFZBCDDJPHIE-CYBMUJFWSA-N -1 0 383.452 3.226 20 30 GGEDRM CC(C)(C)c1cc(NC(=O)N2CCC(C(=O)[O-])CC2)n(-c2ccc(C#N)cc2)n1 ZINC000417780443 953419505 /nfs/dbraw/zinc/41/95/05/953419505.db2.gz VVBOFZJSEGLISO-UHFFFAOYSA-N -1 0 395.463 3.370 20 30 GGEDRM CC[C@H](C)[C@H](NC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)C(=O)[O-] ZINC001593609424 953450958 /nfs/dbraw/zinc/45/09/58/953450958.db2.gz BUTCBNLGDZISMN-BONVTDFDSA-N -1 0 375.816 3.018 20 30 GGEDRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2cccc(COc3ccccc3C#N)c2)C1 ZINC001589275201 953462384 /nfs/dbraw/zinc/46/23/84/953462384.db2.gz VKWYFVHMYREDFQ-HNAYVOBHSA-N -1 0 378.428 3.320 20 30 GGEDRM Cc1nc(SCC(=O)N2CCC[C@@H](CCC(=O)[O-])C2)c(C#N)c(C)c1C ZINC000561923126 953589420 /nfs/dbraw/zinc/58/94/20/953589420.db2.gz DLOHFWGARMECHM-HNNXBMFYSA-N -1 0 375.494 3.074 20 30 GGEDRM C[C@H]1CCN(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)C[C@@H]1C(=O)[O-] ZINC000575868774 953686194 /nfs/dbraw/zinc/68/61/94/953686194.db2.gz LCFPRMXTRDEPSM-LRDDRELGSA-N -1 0 384.461 3.180 20 30 GGEDRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC001589303771 953716840 /nfs/dbraw/zinc/71/68/40/953716840.db2.gz CYBFVHOYHWMXSR-CHWSQXEVSA-N -1 0 375.494 3.012 20 30 GGEDRM C[C@H]1CC[C@H](C(=O)[O-])CN1CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC001589303774 953718715 /nfs/dbraw/zinc/71/87/15/953718715.db2.gz CYBFVHOYHWMXSR-STQMWFEESA-N -1 0 375.494 3.012 20 30 GGEDRM N#CCc1ccc(CS(=O)(=O)N2CCC(c3ccccc3C(=O)[O-])CC2)cc1 ZINC000592455589 953744781 /nfs/dbraw/zinc/74/47/81/953744781.db2.gz IACBSQIIGQHPGR-UHFFFAOYSA-N -1 0 398.484 3.160 20 30 GGEDRM C[C@H]1CCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)C[C@H]1C(=O)[O-] ZINC000592464754 953746292 /nfs/dbraw/zinc/74/62/92/953746292.db2.gz HKSUKGMSMQOQBK-SUMWQHHRSA-N -1 0 380.404 3.320 20 30 GGEDRM C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1cccc(COc2ccccc2C#N)c1 ZINC001589306742 953748902 /nfs/dbraw/zinc/74/89/02/953748902.db2.gz YJOXIGHSWDCQFW-HNAYVOBHSA-N -1 0 378.428 3.463 20 30 GGEDRM Cc1nc(SCC(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)c(C#N)c(C)c1C ZINC000593924084 953759802 /nfs/dbraw/zinc/75/98/02/953759802.db2.gz UUUVYVFQFLVJJK-SJLPKXTDSA-N -1 0 395.484 3.400 20 30 GGEDRM C[C@H](NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000594537832 953766083 /nfs/dbraw/zinc/76/60/83/953766083.db2.gz MWWJIMNKGDAHRD-ZOCIIQOWSA-N -1 0 399.491 3.246 20 30 GGEDRM C[C@H]1CCCN(CC(=O)Nc2sc3c(c2C#N)CCCCC3)[C@H]1C(=O)[O-] ZINC001589329264 953940269 /nfs/dbraw/zinc/94/02/69/953940269.db2.gz XDMLRMDUXUQNNN-YVEFUNNKSA-N -1 0 375.494 3.012 20 30 GGEDRM C[C@H]1CCCN(CC(=O)Nc2sc3c(c2C#N)CCCCC3)[C@@H]1C(=O)[O-] ZINC001589329260 953940555 /nfs/dbraw/zinc/94/05/55/953940555.db2.gz XDMLRMDUXUQNNN-SJCJKPOMSA-N -1 0 375.494 3.012 20 30 GGEDRM C[C@H]1CCCN(C(=O)c2cccc(COc3cccc(C#N)c3)c2)[C@H]1C(=O)[O-] ZINC001589329661 953942871 /nfs/dbraw/zinc/94/28/71/953942871.db2.gz OGZKLQWWFWEQQO-MGPUTAFESA-N -1 0 378.428 3.463 20 30 GGEDRM C[C@@H]1CCCN(c2ccc(CNC(=O)[C@@](C)(C#N)CC(=O)[O-])cc2Cl)C1 ZINC001589332777 953956979 /nfs/dbraw/zinc/95/69/79/953956979.db2.gz PIZSKZVUSHDZMU-BFUOFWGJSA-N -1 0 377.872 3.197 20 30 GGEDRM C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC001589353736 954109593 /nfs/dbraw/zinc/10/95/93/954109593.db2.gz XFZBYSWEIYWLBG-IOASZLSFSA-N -1 0 389.521 3.258 20 30 GGEDRM C[C@H]1CN(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)CC[C@H]1C(=O)[O-] ZINC001589387545 954312140 /nfs/dbraw/zinc/31/21/40/954312140.db2.gz MVJCIWQAXQASGB-SCLBCKFNSA-N -1 0 380.404 3.320 20 30 GGEDRM CN(CCOCc1ccc(C#N)cc1)C(=O)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001593753751 954431095 /nfs/dbraw/zinc/43/10/95/954431095.db2.gz KAGRGKSGLOIYML-PMACEKPBSA-N -1 0 393.443 3.029 20 30 GGEDRM CN(CCOc1ccc(OCc2ccccc2)cc1)C(=O)[C@@](C)(C#N)CC(=O)[O-] ZINC001593754520 954439215 /nfs/dbraw/zinc/43/92/15/954439215.db2.gz KBZIGMQNUQBVJE-JOCHJYFZSA-N -1 0 396.443 3.107 20 30 GGEDRM O=C([O-])[C@H]1CCN(C(=O)C#Cc2cccs2)c2ccc(Br)cc21 ZINC001594917677 954775197 /nfs/dbraw/zinc/77/51/97/954775197.db2.gz WHQUWHYHVNJOGI-ZDUSSCGKSA-N -1 0 390.258 3.467 20 30 GGEDRM C=CCOc1ccc(/C=C\C(=O)NC[C@@](C)(C(=O)[O-])c2ccccc2)cc1OC ZINC000799251822 955354867 /nfs/dbraw/zinc/35/48/67/955354867.db2.gz SPOYTKBTDWDDRG-GQZPPLQUSA-N -1 0 395.455 3.432 20 30 GGEDRM Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC001594506070 955356985 /nfs/dbraw/zinc/35/69/85/955356985.db2.gz AALHHMYCXRHKIC-KRWDZBQOSA-N -1 0 375.384 3.075 20 30 GGEDRM C[C@H](OC(=O)[C@](C)(C#N)CC(=O)[O-])C(=O)Nc1ccccc1-c1ccccc1 ZINC000820160761 955466097 /nfs/dbraw/zinc/46/60/97/955466097.db2.gz ICRDYIFKEWFUTO-QKKBWIMNSA-N -1 0 380.400 3.228 20 30 GGEDRM C[C@](CNC(=O)C#Cc1ccc(C(F)(F)F)cc1)(C(=O)[O-])c1ccccc1 ZINC001589039592 955582645 /nfs/dbraw/zinc/58/26/45/955582645.db2.gz OTLLRPCUXABNPO-LJQANCHMSA-N -1 0 375.346 3.216 20 30 GGEDRM C[C@](CNC(=O)CCCCOc1cccc(C#N)c1)(C(=O)[O-])c1ccccc1 ZINC001589044385 955611132 /nfs/dbraw/zinc/61/11/32/955611132.db2.gz VEOZDWLXASAUNE-JOCHJYFZSA-N -1 0 380.444 3.266 20 30 GGEDRM C[C@@](CNC(=O)CCCCOc1cccc(C#N)c1)(C(=O)[O-])c1ccccc1 ZINC001589044388 955611574 /nfs/dbraw/zinc/61/15/74/955611574.db2.gz VEOZDWLXASAUNE-QFIPXVFZSA-N -1 0 380.444 3.266 20 30 GGEDRM Cn1cc([C@H]2C[C@H](C(=O)[O-])CN(c3cc(C(F)(F)F)c(F)cc3C#N)C2)cn1 ZINC001594540324 955632899 /nfs/dbraw/zinc/63/28/99/955632899.db2.gz ZMIDXRDRVFILTF-RYUDHWBXSA-N -1 0 396.344 3.144 20 30 GGEDRM Cn1cc(CNC(=O)Nc2ccc(C(=O)[O-])cc2F)c(-c2ccc(C#N)cc2)n1 ZINC001594543639 955676829 /nfs/dbraw/zinc/67/68/29/955676829.db2.gz MLJVQROTGGPYDV-UHFFFAOYSA-N -1 0 393.378 3.118 20 30 GGEDRM C=CCc1cc(C(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)cc(OC)c1OC ZINC000846718426 955727048 /nfs/dbraw/zinc/72/70/48/955727048.db2.gz WMLVWMBNRYERMU-ROUUACIJSA-N -1 0 381.428 3.475 20 30 GGEDRM C=CCc1cc(C(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)cc(OC)c1OC ZINC000846718424 955727285 /nfs/dbraw/zinc/72/72/85/955727285.db2.gz WMLVWMBNRYERMU-MSOLQXFVSA-N -1 0 381.428 3.475 20 30 GGEDRM CCOC(=O)Nc1ccc(NC(=O)N2CCC(CCC(=O)[O-])CC2)cc1C#N ZINC000849238568 955781454 /nfs/dbraw/zinc/78/14/54/955781454.db2.gz BSLRNIDKTWFYFI-UHFFFAOYSA-N -1 0 388.424 3.235 20 30 GGEDRM CC(C)N(Cc1ccc(C#N)cc1)C(=O)C1=NN(c2ccccc2)[C@@H](C(=O)[O-])C1 ZINC001603065978 972130468 /nfs/dbraw/zinc/13/04/68/972130468.db2.gz QOXTXBNQIJUWGP-HXUWFJFHSA-N -1 0 390.443 3.015 20 30 GGEDRM Cn1nc(C(=O)[O-])cc1C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 ZINC001594568552 955857431 /nfs/dbraw/zinc/85/74/31/955857431.db2.gz BLKUXDRXUOZHKC-UHFFFAOYSA-N -1 0 380.335 3.174 20 30 GGEDRM Cn1nccc1[C@H](NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)C(=O)[O-] ZINC001594589177 956034017 /nfs/dbraw/zinc/03/40/17/956034017.db2.gz HSTPAXHNJARTRH-SFHVURJKSA-N -1 0 391.387 3.031 20 30 GGEDRM 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20 30 GGEDRM N#Cc1cccc(COc2ccc(NC(=O)c3cc(C(=O)[O-])n[nH]3)cc2Cl)c1 ZINC001594628231 956327191 /nfs/dbraw/zinc/32/71/91/956327191.db2.gz DRIBRGWRBRQWCP-UHFFFAOYSA-N -1 0 396.790 3.464 20 30 GGEDRM N#Cc1cccc(COc2ccc(NC(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)cc2F)c1 ZINC001594628409 956331507 /nfs/dbraw/zinc/33/15/07/956331507.db2.gz PXUGQQGSXSJPTH-FZNQNYSPSA-N -1 0 383.379 3.261 20 30 GGEDRM N#Cc1cccc(OCc2ccoc2C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)c1 ZINC001594628861 956338037 /nfs/dbraw/zinc/33/80/37/956338037.db2.gz SNIDEYGUQKDAGN-HNNXBMFYSA-N -1 0 382.416 3.447 20 30 GGEDRM C=CCN(CC=C)C(=O)c1ccc(NC(=O)C2(C(=O)[O-])CCSCC2)cc1 ZINC000901871436 956513506 /nfs/dbraw/zinc/51/35/06/956513506.db2.gz DFDNULUZZBLZPL-UHFFFAOYSA-N -1 0 388.489 3.037 20 30 GGEDRM COC[C@@]1(C(=O)[O-])CCN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C1 ZINC001593964921 956529995 /nfs/dbraw/zinc/52/99/95/956529995.db2.gz OCJMFBKADVAMOF-OAQYLSRUSA-N -1 0 395.415 3.306 20 30 GGEDRM COC[C@@]1(C(=O)[O-])CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C1 ZINC001593964606 956530049 /nfs/dbraw/zinc/53/00/49/956530049.db2.gz NKNSYOQROOBFTO-OAQYLSRUSA-N -1 0 395.415 3.306 20 30 GGEDRM COC[C@@]1(C(=O)[O-])CCN(C(=O)Nc2cccc(C#Cc3ccccc3)c2)C1 ZINC001593965478 956532383 /nfs/dbraw/zinc/53/23/83/956532383.db2.gz VBFNNSWFQKKZKF-JOCHJYFZSA-N -1 0 378.428 3.041 20 30 GGEDRM C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCC(C)(C(=O)[O-])CC1 ZINC001603118601 972198355 /nfs/dbraw/zinc/19/83/55/972198355.db2.gz HBHHXAHTGSUKPQ-AWEZNQCLSA-N -1 0 375.494 3.206 20 30 GGEDRM C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H](Cc1ccncc1)C(=O)[O-] ZINC001603118859 972199086 /nfs/dbraw/zinc/19/90/86/972199086.db2.gz LTHRIHPFZCGWMW-CZUORRHYSA-N -1 0 384.461 3.293 20 30 GGEDRM C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H](Cc1ccncc1)C(=O)[O-] ZINC001603118861 972199265 /nfs/dbraw/zinc/19/92/65/972199265.db2.gz LTHRIHPFZCGWMW-XJKSGUPXSA-N -1 0 384.461 3.293 20 30 GGEDRM COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001594012021 957005718 /nfs/dbraw/zinc/00/57/18/957005718.db2.gz BOQFDOVGSANPNE-UXHICEINSA-N -1 0 393.443 3.029 20 30 GGEDRM COc1cc(C#N)ccc1OCCN1C[C@H](CCC(=O)[O-])Cc2ccccc21 ZINC001594049122 957963156 /nfs/dbraw/zinc/96/31/56/957963156.db2.gz DGLWLDLFXHALOE-QGZVFWFLSA-N -1 0 380.444 3.489 20 30 GGEDRM Cc1cc(NC(=O)N2CCC(c3ccccc3C(=O)[O-])CC2)nn1CCC#N ZINC001594317405 958083820 /nfs/dbraw/zinc/08/38/20/958083820.db2.gz FGHKZTBZRVQYRO-UHFFFAOYSA-N -1 0 381.436 3.215 20 30 GGEDRM C#CCN(CC(=O)[O-])C(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC001588408656 958114297 /nfs/dbraw/zinc/11/42/97/958114297.db2.gz XHKLNIXZRBTTCS-GOSISDBHSA-N -1 0 375.428 3.029 20 30 GGEDRM C#CCN(CC(=O)[O-])C(=O)NCc1ccccc1COc1ccccc1Cl ZINC001588408770 958117747 /nfs/dbraw/zinc/11/77/47/958117747.db2.gz DJRKARDWKZCCDV-UHFFFAOYSA-N -1 0 386.835 3.148 20 30 GGEDRM COc1cc(NC(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)c(F)cc1C#N ZINC001594063862 958122453 /nfs/dbraw/zinc/12/24/53/958122453.db2.gz OZXJFONCRGRFCZ-LSDHHAIUSA-N -1 0 383.379 3.038 20 30 GGEDRM C#CCN(CC(=O)[O-])C(=O)N[C@H](c1ccccc1C(F)(F)F)C(F)(F)F ZINC001588409386 958128185 /nfs/dbraw/zinc/12/81/85/958128185.db2.gz GHQPRJHEJXIIIG-GFCCVEGCSA-N -1 0 382.260 3.038 20 30 GGEDRM C#CCN(CC(=O)[O-])C(=O)N[C@@H](c1ccc(Br)cc1)C1CCC1 ZINC001588410246 958137208 /nfs/dbraw/zinc/13/72/08/958137208.db2.gz QYWDNIMSQZCAML-MRXNPFEDSA-N -1 0 379.254 3.020 20 30 GGEDRM C#CCN(CC(=O)[O-])C(=O)N[C@@H](Cc1ccccc1)c1nc2ccccc2s1 ZINC001588410374 958138791 /nfs/dbraw/zinc/13/87/91/958138791.db2.gz UFRATCOOZGYWBX-KRWDZBQOSA-N -1 0 393.468 3.310 20 30 GGEDRM C#CCN(CC(=O)[O-])C(=O)N[C@@H](Cc1cc(C)cc(C)c1)c1cccc(OC)c1 ZINC001588410340 958139003 /nfs/dbraw/zinc/13/90/03/958139003.db2.gz SVDBRTDQVOWHPC-NRFANRHFSA-N -1 0 394.471 3.325 20 30 GGEDRM C#CCN(CC(=O)[O-])C(=O)Nc1ccc(C(F)(F)F)c(Br)c1 ZINC001588411101 958146213 /nfs/dbraw/zinc/14/62/13/958146213.db2.gz KLERBDPGWKHAFO-UHFFFAOYSA-N -1 0 379.132 3.020 20 30 GGEDRM C#CCN(CC(=O)[O-])C(=O)Nc1ncc(Cc2ccc(Cl)cc2C)s1 ZINC001588417281 958168897 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CC(C)(C)CC[C@H](NC(=O)C1CCN(c2ccc(C#N)cc2F)CC1)C(=O)[O-] ZINC001588645628 959735432 /nfs/dbraw/zinc/73/54/32/959735432.db2.gz QSSSBQTYOIAGHZ-KRWDZBQOSA-N -1 0 389.471 3.309 20 30 GGEDRM CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl ZINC001588669152 960494609 /nfs/dbraw/zinc/49/46/09/960494609.db2.gz UZQUENJOKBNKJI-KRWDZBQOSA-N -1 0 384.791 3.377 20 30 GGEDRM CC(C)(C)OC(=O)N(CCNC(=O)[C@@](C)(C#N)CC(=O)[O-])C1CCCCCC1 ZINC001588675381 960537617 /nfs/dbraw/zinc/53/76/17/960537617.db2.gz RMGDDLSKMBVRGP-HXUWFJFHSA-N -1 0 395.500 3.067 20 30 GGEDRM CC(C)(C)OC(=O)N(CCNC(=O)[C@](C)(C#N)CC(=O)[O-])C1CCCCCC1 ZINC001588675380 960537684 /nfs/dbraw/zinc/53/76/84/960537684.db2.gz RMGDDLSKMBVRGP-FQEVSTJZSA-N -1 0 395.500 3.067 20 30 GGEDRM C[C@H]1CN(C(=O)c2ccc(OCc3ccccc3C#N)cc2)CC[C@@H]1C(=O)[O-] ZINC001573750001 960546562 /nfs/dbraw/zinc/54/65/62/960546562.db2.gz YIHBFGWUYGAFOR-YWZLYKJASA-N -1 0 378.428 3.320 20 30 GGEDRM CSc1ccc(CNC(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)cc1C#N ZINC001574257651 960547542 /nfs/dbraw/zinc/54/75/42/960547542.db2.gz SYOVSZMIZJSLTP-IAGOWNOFSA-N -1 0 381.457 3.393 20 30 GGEDRM N#CC1(CNS(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)CCCC1 ZINC001192439652 960557992 /nfs/dbraw/zinc/55/79/92/960557992.db2.gz QFMJNMUOKNRZAH-UHFFFAOYSA-N -1 0 377.249 3.054 20 30 GGEDRM Cc1c(Cl)cccc1N=C1SCCN1C(=O)[C@H]1CO[C@@H](CCC(=O)[O-])C1 ZINC001574298026 960708522 /nfs/dbraw/zinc/70/85/22/960708522.db2.gz VVLLBASMVDPRCR-OLZOCXBDSA-N -1 0 396.896 3.481 20 30 GGEDRM Cc1c(C)n(-c2ccccc2)c(NC(=O)CN2CCC[C@H](C)[C@H]2C(=O)[O-])c1C#N ZINC001574298546 960712240 /nfs/dbraw/zinc/71/22/40/960712240.db2.gz FYXXRXSSWJDNJD-XOBRGWDASA-N -1 0 394.475 3.089 20 30 GGEDRM Cc1c(C)n(-c2ccccc2)c(NC(=O)CN2CCC[C@H](C)[C@@H]2C(=O)[O-])c1C#N ZINC001574298544 960713127 /nfs/dbraw/zinc/71/31/27/960713127.db2.gz FYXXRXSSWJDNJD-VBKZILBWSA-N -1 0 394.475 3.089 20 30 GGEDRM Cc1c(C)n(C2CCCC2)c(NC(=O)CN2[C@H](C)CCC[C@@H]2C(=O)[O-])c1C#N ZINC001574298552 960714163 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384.791 3.377 20 30 GGEDRM N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)C2(C(=O)[O-])CCCCC2)CC1 ZINC001574473942 961633935 /nfs/dbraw/zinc/63/39/35/961633935.db2.gz FLEKZWIFIVWDIA-KRWDZBQOSA-N -1 0 389.883 3.084 20 30 GGEDRM N#C[C@H](NC(=O)/C=C\c1ccc(C(=O)[O-])o1)c1ccc(Br)cc1 ZINC001574473798 961633945 /nfs/dbraw/zinc/63/39/45/961633945.db2.gz CUANOHXFDXDANL-WOLRVDTOSA-N -1 0 375.178 3.135 20 30 GGEDRM N#C[C@@H](NC(=O)/C=C\c1ccc(C(=O)[O-])o1)c1ccc(Br)cc1 ZINC001574473796 961634262 /nfs/dbraw/zinc/63/42/62/961634262.db2.gz CUANOHXFDXDANL-FWPCIQOSSA-N -1 0 375.178 3.135 20 30 GGEDRM N#C[C@@H](NC(=O)/C=C/c1ccc(C(=O)[O-])o1)c1ccccc1Br ZINC001574474619 961641292 /nfs/dbraw/zinc/64/12/92/961641292.db2.gz QAWIUZPUPKNZTE-STMXVASLSA-N -1 0 375.178 3.135 20 30 GGEDRM N#Cc1c(NC(=O)CN2CCC[C@@H](CCC(=O)[O-])C2)sc2c1CCCCC2 ZINC001574479149 961649080 /nfs/dbraw/zinc/64/90/80/961649080.db2.gz FDZGMHGTVMVZTI-AWEZNQCLSA-N -1 0 389.521 3.404 20 30 GGEDRM N#Cc1ccc(-c2cccc(CNC(=O)C3(CC(=O)[O-])CCOCC3)c2)s1 ZINC001574485477 961677545 /nfs/dbraw/zinc/67/75/45/961677545.db2.gz HXTYKLDIGUWMSO-UHFFFAOYSA-N -1 0 384.457 3.174 20 30 GGEDRM N#Cc1ccc(CNC(=O)Nc2cc(C(=O)[O-])ccc2Br)c(F)c1 ZINC001574487797 961690460 /nfs/dbraw/zinc/69/04/60/961690460.db2.gz IBLAPDRPWFZNGR-UHFFFAOYSA-N -1 0 392.184 3.480 20 30 GGEDRM N#Cc1ccc(N2CCC(C(=O)N3CCC[C@@H](CCC(=O)[O-])C3)CC2)c(F)c1 ZINC001574488236 961693252 /nfs/dbraw/zinc/69/32/52/961693252.db2.gz ONOSTNBBBDAJOC-HNNXBMFYSA-N -1 0 387.455 3.017 20 30 GGEDRM N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@@H](CC(=O)[O-])C3)cc2)nc1 ZINC001574488567 961697157 /nfs/dbraw/zinc/69/71/57/961697157.db2.gz SDTPQBQIKOZEFI-AWEZNQCLSA-N -1 0 380.404 3.464 20 30 GGEDRM C=CCOC[C@@H](NC(=O)C1(c2cccc(Br)c2)CCCC1)C(=O)[O-] ZINC000262896239 961972519 /nfs/dbraw/zinc/97/25/19/961972519.db2.gz DHXGXGFENXBFHE-OAHLLOKOSA-N -1 0 396.281 3.033 20 30 GGEDRM C=CCOC[C@H](NC(=O)c1cc(-c2ccc(OC)cc2)c(C)s1)C(=O)[O-] ZINC000262899190 961975344 /nfs/dbraw/zinc/97/53/44/961975344.db2.gz DMWQMLUPFRPZJY-INIZCTEOSA-N -1 0 375.446 3.118 20 30 GGEDRM C=CCOC[C@@H](NC(=O)c1cc(-c2ccc(OC)cc2)c(C)s1)C(=O)[O-] ZINC000262899191 961976307 /nfs/dbraw/zinc/97/63/07/961976307.db2.gz DMWQMLUPFRPZJY-MRXNPFEDSA-N -1 0 375.446 3.118 20 30 GGEDRM C=CCOC[C@@H](NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)[O-] ZINC000262915469 961996685 /nfs/dbraw/zinc/99/66/85/961996685.db2.gz FTWZGZBMWQZVBF-LLVKDONJSA-N -1 0 385.260 3.110 20 30 GGEDRM CC(C)CN(C(=O)C1=NN(c2ccccc2)[C@H](C(=O)[O-])C1)c1ccc(C#N)cc1 ZINC001588872637 962096799 /nfs/dbraw/zinc/09/67/99/962096799.db2.gz YSQPYKJHLHIPOD-FQEVSTJZSA-N -1 0 390.443 3.267 20 30 GGEDRM CC(C)C[C@@H](NC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)C(=O)[O-] ZINC001588884208 962165479 /nfs/dbraw/zinc/16/54/79/962165479.db2.gz GKTHGOLHFKNYIH-CYBMUJFWSA-N -1 0 375.816 3.018 20 30 GGEDRM C=CCOC[C@@H](NC(=O)c1cc(NC(=O)CC(C)(C)C)ccc1Cl)C(=O)[O-] ZINC000263102778 962255137 /nfs/dbraw/zinc/25/51/37/962255137.db2.gz UGHFWZQUEGBVCE-OAHLLOKOSA-N -1 0 396.871 3.100 20 30 GGEDRM C=CCOC[C@H](NC(=O)C1(c2cccc(C(F)(F)F)c2)CCCC1)C(=O)[O-] ZINC000263163769 962315498 /nfs/dbraw/zinc/31/54/98/962315498.db2.gz YDDULUKCEWOGPB-HNNXBMFYSA-N -1 0 385.382 3.289 20 30 GGEDRM C=CCOc1ccc(C(=O)N[C@](C)(CC(=O)[O-])c2cccc(OC)c2)cc1OC ZINC000263203382 962359559 /nfs/dbraw/zinc/35/95/59/962359559.db2.gz OAVODTDSTNQNPB-JOCHJYFZSA-N -1 0 399.443 3.389 20 30 GGEDRM C=CCOc1ccc(C(=O)N[C@@](C)(CC(=O)[O-])c2cccc(OC)c2)cc1OC ZINC000263203389 962359692 /nfs/dbraw/zinc/35/96/92/962359692.db2.gz OAVODTDSTNQNPB-QFIPXVFZSA-N -1 0 399.443 3.389 20 30 GGEDRM CC(C)Oc1ccc(C#N)cc1NC(=O)C1=NN(c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001588936460 962505842 /nfs/dbraw/zinc/50/58/42/962505842.db2.gz RDJCIUSPBXJBPZ-SFHVURJKSA-N -1 0 392.415 3.003 20 30 GGEDRM COC[C@@]1(C(=O)[O-])CCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C1 ZINC001574131677 962541352 /nfs/dbraw/zinc/54/13/52/962541352.db2.gz OPQZNZTZESHZMN-OAQYLSRUSA-N -1 0 395.415 3.306 20 30 GGEDRM C#CCCOc1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccc(Cl)c(F)c2)cc1 ZINC001573301583 962629788 /nfs/dbraw/zinc/62/97/88/962629788.db2.gz GTRMEUSAXUXICM-QGZVFWFLSA-N -1 0 375.783 3.437 20 30 GGEDRM C#C[C@@H](NC(=O)c1ccc(C(=O)[O-])cc1F)c1ccc(Br)cc1 ZINC001573301536 962629848 /nfs/dbraw/zinc/62/98/48/962629848.db2.gz ANRZJMUMFRWPPA-OAHLLOKOSA-N -1 0 376.181 3.391 20 30 GGEDRM C#CC[C@H](CCOC)NC(=O)c1ccccc1SCc1occc1C(=O)[O-] ZINC001573301731 962636137 /nfs/dbraw/zinc/63/61/37/962636137.db2.gz DGKUADYPEFIRIZ-CQSZACIVSA-N -1 0 387.457 3.428 20 30 GGEDRM C#CC[C@@H](NC(=O)NCc1ccc(OCCCC(=O)[O-])cc1)c1ccccc1 ZINC001573302810 962662728 /nfs/dbraw/zinc/66/27/28/962662728.db2.gz QLHGDZVZWNVYCA-HXUWFJFHSA-N -1 0 380.444 3.494 20 30 GGEDRM C#C[C@@H](NC(=O)NC1CCC(C(=O)[O-])CC1)c1ccc(Br)cc1 ZINC000263484472 962669146 /nfs/dbraw/zinc/66/91/46/962669146.db2.gz OYRYCZXVAWDHEL-PESDSKBTSA-N -1 0 379.254 3.066 20 30 GGEDRM C#CC[C@]1(C(=O)Nc2cc(C(=O)[O-])sc2C)CCCN1C(=O)OC(C)(C)C ZINC001573303903 962683715 /nfs/dbraw/zinc/68/37/15/962683715.db2.gz UMSAVDJIRBFFRI-LJQANCHMSA-N -1 0 392.477 3.486 20 30 GGEDRM C#CCN(CC(=O)Nc1cccc(SCCC(=O)[O-])c1)C(=O)OC(C)(C)C ZINC001573311557 962705001 /nfs/dbraw/zinc/70/50/01/962705001.db2.gz TYQGMGCWDMYSQU-UHFFFAOYSA-N -1 0 392.477 3.062 20 30 GGEDRM C#CCOc1ccccc1NC(=O)NCc1ccc(OCCCC(=O)[O-])cc1 ZINC001573311722 962710854 /nfs/dbraw/zinc/71/08/54/962710854.db2.gz FQFOBJVWGNOJNE-UHFFFAOYSA-N -1 0 382.416 3.264 20 30 GGEDRM C#Cc1ccc(S(=O)(=O)N(C)[C@H](C(=O)[O-])c2cccc(Cl)c2Cl)cc1 ZINC001573313293 962728843 /nfs/dbraw/zinc/72/88/43/962728843.db2.gz FZIZCIWGTLSHRI-INIZCTEOSA-N -1 0 398.267 3.421 20 30 GGEDRM O=C([O-])COc1ccc(/C=C/C(=O)c2ccc(N3CCC(O)CC3)cc2)cc1 ZINC000265219365 962753562 /nfs/dbraw/zinc/75/35/62/962753562.db2.gz WRNUKJNSFYFGST-XCVCLJGOSA-N -1 0 381.428 3.007 20 30 GGEDRM C=C(C)[C@@H](CC(=O)N1Cc2cccc(Br)c2C[C@@H]1C(=O)[O-])OCC ZINC001573321700 962761890 /nfs/dbraw/zinc/76/18/90/962761890.db2.gz QAKSNFXZHPKKQD-HZPDHXFCSA-N -1 0 396.281 3.158 20 30 GGEDRM C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1[C@H](C)CCC[C@@H]1C(=O)[O-] ZINC001588987828 962766541 /nfs/dbraw/zinc/76/65/41/962766541.db2.gz IVHITBYQUKIFPS-IJEWVQPXSA-N -1 0 375.494 3.347 20 30 GGEDRM C[C@H](CC#N)Sc1ccccc1NC(=O)CN1[C@H](C)CCC[C@@H]1C(=O)[O-] ZINC001588987827 962766649 /nfs/dbraw/zinc/76/66/49/962766649.db2.gz IVHITBYQUKIFPS-IIAWOOMASA-N -1 0 375.494 3.347 20 30 GGEDRM C=C(C)[C@@H](CC(=O)N[C@@H](C(=O)[O-])c1ccccc1OC(F)(F)F)OCC ZINC001573322358 962767246 /nfs/dbraw/zinc/76/72/46/962767246.db2.gz XELWSIARFWWXAJ-UKRRQHHQSA-N -1 0 375.343 3.198 20 30 GGEDRM C=C(C)C[C@@H](NC(=O)c1ccc2c(c1)ncn2Cc1ccccc1OC)C(=O)[O-] ZINC001573324201 962781776 /nfs/dbraw/zinc/78/17/76/962781776.db2.gz OUFXWHLUCALSIM-GOSISDBHSA-N -1 0 393.443 3.242 20 30 GGEDRM C=C(C)C[C@H](NS(=O)(=O)c1ccc2nc(C(C)(C)C)sc2c1)C(=O)[O-] ZINC001573324219 962783416 /nfs/dbraw/zinc/78/34/16/962783416.db2.gz OZKBEHVMNVWXMN-ZDUSSCGKSA-N -1 0 382.507 3.292 20 30 GGEDRM C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001573324589 962786406 /nfs/dbraw/zinc/78/64/06/962786406.db2.gz VBVDPIUOHONLAS-ZDUSSCGKSA-N -1 0 391.497 3.468 20 30 GGEDRM C=C(C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC(C(=O)[O-])CC1 ZINC001573326351 962802650 /nfs/dbraw/zinc/80/26/50/962802650.db2.gz VHJNUFOVIZMBJD-CQSZACIVSA-N -1 0 388.443 3.434 20 30 GGEDRM C=C(CCC(=O)[O-])C(=O)N(CCC)Cc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC001573326708 962807762 /nfs/dbraw/zinc/80/77/62/962807762.db2.gz ZUPIQDLGFCWLLO-UHFFFAOYSA-N -1 0 377.828 3.148 20 30 GGEDRM C=CCN(C(=O)[C@H]1CC[C@H]1C(=O)[O-])c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC001573328309 962810672 /nfs/dbraw/zinc/81/06/72/962810672.db2.gz FPTUDINRBLODFY-UONOGXRCSA-N -1 0 387.417 3.348 20 30 GGEDRM C=CC[C@]1(C(=O)NCc2ccccc2C(=O)[O-])CCCN1C(=O)OC(C)(C)C ZINC001573329116 962813030 /nfs/dbraw/zinc/81/30/30/962813030.db2.gz ZPBMVKICVWGIDK-OAQYLSRUSA-N -1 0 388.464 3.347 20 30 GGEDRM C=C(CCC(=O)[O-])C(=O)N1CCC[C@@H]([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001573331782 962817113 /nfs/dbraw/zinc/81/71/13/962817113.db2.gz ARJCZUDAPWXZRY-IAGOWNOFSA-N -1 0 394.512 3.293 20 30 GGEDRM C=C(CCC(=O)[O-])C(=O)N1CCC[C@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC001573331954 962820558 /nfs/dbraw/zinc/82/05/58/962820558.db2.gz FQYWPEOEYZRIDY-AWEZNQCLSA-N -1 0 385.247 3.344 20 30 GGEDRM C=C(CCC(=O)[O-])C(=O)N1CCC([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001573332730 962840391 /nfs/dbraw/zinc/84/03/91/962840391.db2.gz QYDRGHMTYWZQSY-QGZVFWFLSA-N -1 0 394.512 3.293 20 30 GGEDRM C=C(CCC(=O)[O-])C(=O)NC1(c2noc([C@@H]3CCCO3)n2)CCCCCC1 ZINC001573333167 962851783 /nfs/dbraw/zinc/85/17/83/962851783.db2.gz WSNQRXFLIPXLIE-AWEZNQCLSA-N -1 0 377.441 3.008 20 30 GGEDRM C=C(CCC(=O)[O-])C(=O)NC1(c2noc([C@H]3CCCO3)n2)CCCCCC1 ZINC001573333169 962853009 /nfs/dbraw/zinc/85/30/09/962853009.db2.gz WSNQRXFLIPXLIE-CQSZACIVSA-N -1 0 377.441 3.008 20 30 GGEDRM C=C(CCC(=O)[O-])C(=O)N1CCCC[C@H]1[C@H]1CCCN1C(=O)OC(C)(C)C ZINC001573333221 962853450 /nfs/dbraw/zinc/85/34/50/962853450.db2.gz YRGKVHXJESWCIA-JKSUJKDBSA-N -1 0 380.485 3.188 20 30 GGEDRM C=C(CCC(=O)[O-])C(=O)Nc1cc(C)nn1-c1cccc(Br)c1 ZINC001573337013 962861641 /nfs/dbraw/zinc/86/16/41/962861641.db2.gz KJWMWJGAVOYEBC-UHFFFAOYSA-N -1 0 378.226 3.303 20 30 GGEDRM C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C(=O)[O-])cc1OC ZINC001573338440 962873344 /nfs/dbraw/zinc/87/33/44/962873344.db2.gz AYPMWSSKFAUWKX-ZDUSSCGKSA-N -1 0 398.843 3.368 20 30 GGEDRM C=C(Cl)Cn1c(-c2ccc3ccccc3n2)nnc1N1CC[C@H](C(=O)[O-])C1 ZINC001573343207 962902859 /nfs/dbraw/zinc/90/28/59/962902859.db2.gz BLQCRLFNNIYEBB-AWEZNQCLSA-N -1 0 383.839 3.157 20 30 GGEDRM C=C(Cl)CSc1nc(C)c(CC(=O)N[C@H](C(=O)[O-])c2cccnc2)s1 ZINC001573344085 962912966 /nfs/dbraw/zinc/91/29/66/962912966.db2.gz NNIIXPCASKNFCK-AWEZNQCLSA-N -1 0 397.909 3.176 20 30 GGEDRM C=C(Cl)CSc1nc(C)c(CC(=O)N[C@@H](C(=O)[O-])c2cccnc2)s1 ZINC001573344086 962913035 /nfs/dbraw/zinc/91/30/35/962913035.db2.gz NNIIXPCASKNFCK-CQSZACIVSA-N -1 0 397.909 3.176 20 30 GGEDRM C=C(Cl)CSc1nc(C)c(CC(=O)NCc2ccoc2C(=O)[O-])s1 ZINC001573344297 962914543 /nfs/dbraw/zinc/91/45/43/962914543.db2.gz SECDJGPZASWQJI-UHFFFAOYSA-N -1 0 386.882 3.446 20 30 GGEDRM C=C1CCN(c2nnc([C@H]3CCCCO3)n2CC2CCN(C(=O)[O-])CC2)CC1 ZINC001573344367 962916857 /nfs/dbraw/zinc/91/68/57/962916857.db2.gz VBXIXDCQDMZWDV-QGZVFWFLSA-N -1 0 389.500 3.066 20 30 GGEDRM C=C[C@](C)(CC)C(=O)N1CCOc2c(Br)cc(C(=O)[O-])cc2C1 ZINC001573347187 962945426 /nfs/dbraw/zinc/94/54/26/962945426.db2.gz JQYKOGVVWCMMCZ-QGZVFWFLSA-N -1 0 382.254 3.471 20 30 GGEDRM C=C[C@@H](CC)CC(=O)N[C@]1(C(=O)[O-])CCc2cc(Br)ccc2C1 ZINC001573347764 962951468 /nfs/dbraw/zinc/95/14/68/962951468.db2.gz NRKCTTYWSYQSHW-KPZWWZAWSA-N -1 0 380.282 3.480 20 30 GGEDRM C=CC(C)(C)CCNS(=O)(=O)c1cc(Br)ccc1C(=O)[O-] ZINC001573348293 962957853 /nfs/dbraw/zinc/95/78/53/962957853.db2.gz UWRJIPRPGAYYOT-UHFFFAOYSA-N -1 0 376.272 3.028 20 30 GGEDRM C=CCC(C)(C)CNS(=O)(=O)c1cc(C(=O)[O-])cc(F)c1Br ZINC001573351681 962981747 /nfs/dbraw/zinc/98/17/47/962981747.db2.gz WSLFSQDWYYMBQH-UHFFFAOYSA-N -1 0 394.262 3.167 20 30 GGEDRM C=CC[C@H]1N(C(=O)[C@@H](CCC(=O)[O-])NC(=O)OC(C)(C)C)CCCC1(C)C ZINC001573353419 963000471 /nfs/dbraw/zinc/00/04/71/963000471.db2.gz UYKGWNZYBXEKEL-HUUCEWRRSA-N -1 0 382.501 3.338 20 30 GGEDRM C=CCCC[C@@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C(=O)[O-] ZINC001573356569 963007976 /nfs/dbraw/zinc/00/79/76/963007976.db2.gz DVDIFVINUHWUSP-QGZVFWFLSA-N -1 0 378.428 3.080 20 30 GGEDRM C=CCCC[C@H](NC(=O)[C@H](NC(=O)c1ccccc1)c1ccccc1)C(=O)[O-] ZINC001573356735 963010992 /nfs/dbraw/zinc/01/09/92/963010992.db2.gz GIJOPRRHDRQROH-RBUKOAKNSA-N -1 0 380.444 3.083 20 30 GGEDRM C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C(=O)[O-])c1cccs1 ZINC001573357248 963014860 /nfs/dbraw/zinc/01/48/60/963014860.db2.gz KOAXFOFDJROMIB-GXTWGEPZSA-N -1 0 382.482 3.240 20 30 GGEDRM C=CCCC[C@H](NC(=O)COc1ccc(Br)cc1Cl)C(=O)[O-] ZINC001573357698 963019995 /nfs/dbraw/zinc/01/99/95/963019995.db2.gz QXZBOGMTPCOBGA-LBPRGKRZSA-N -1 0 390.661 3.407 20 30 GGEDRM C=CCCc1ccc(S(=O)(=O)N2CCOc3ccccc3[C@H]2C(=O)[O-])cc1 ZINC001573360234 963033976 /nfs/dbraw/zinc/03/39/76/963033976.db2.gz KOASBBUJYNMIMT-IBGZPJMESA-N -1 0 387.457 3.014 20 30 GGEDRM C=CCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@H](C(=O)[O-])C1 ZINC001573360421 963036289 /nfs/dbraw/zinc/03/62/89/963036289.db2.gz OIAJRQHLIFLANE-CABCVRRESA-N -1 0 388.443 3.434 20 30 GGEDRM C=CCN(C(=O)c1ccc(C(=O)[O-])c(F)c1)[C@H](Cc1ccccc1)C(=O)OCC ZINC001573360419 963036636 /nfs/dbraw/zinc/03/66/36/963036636.db2.gz OGNUKAATNQEPJJ-LJQANCHMSA-N -1 0 399.418 3.327 20 30 GGEDRM C=CCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@H](C(=O)[O-])C1 ZINC001573360739 963042525 /nfs/dbraw/zinc/04/25/25/963042525.db2.gz WPHZVQVKGYSNJJ-INIZCTEOSA-N -1 0 392.463 3.008 20 30 GGEDRM C=CCN(C(=O)c1c(C)coc1CC(=O)[O-])[C@H](Cc1ccccc1)C(=O)OCC ZINC001573360841 963045058 /nfs/dbraw/zinc/04/50/58/963045058.db2.gz ZAWSDVPLXDSOCH-QGZVFWFLSA-N -1 0 399.443 3.018 20 30 GGEDRM C=CCCC[C@H](NC(=O)c1nnn(-c2cccc(Cl)c2)c1CC)C(=O)[O-] ZINC001573365690 963055300 /nfs/dbraw/zinc/05/53/00/963055300.db2.gz HKEXYWZLABFICF-AWEZNQCLSA-N -1 0 376.844 3.022 20 30 GGEDRM 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ZVHDOALHTWMEGT-SFHVURJKSA-N -1 0 387.461 3.338 20 30 GGEDRM Cc1cc(/C=C/C(=O)c2cn(-c3ccccc3)nn2)cc(C)c1OCC(=O)[O-] ZINC000832881887 979052474 /nfs/dbraw/zinc/05/24/74/979052474.db2.gz VQARZEJRIVDWLI-CMDGGOBGSA-N -1 0 377.400 3.244 20 30 GGEDRM CC[C@@H](C)c1nc(C)c(CC(=O)OCC#Cc2cccc(C(=O)[O-])c2)c(C)n1 ZINC001595015876 979066864 /nfs/dbraw/zinc/06/68/64/979066864.db2.gz ODLHAAVYNOSOMO-CQSZACIVSA-N -1 0 380.444 3.443 20 30 GGEDRM O=C([O-])c1cccc(C#Cc2cccc(NC(=O)NC[C@@H]3CCC[C@@H](O)C3)c2)c1 ZINC000833138608 979091893 /nfs/dbraw/zinc/09/18/93/979091893.db2.gz HAPKLHOYLNBLPS-WIYYLYMNSA-N -1 0 392.455 3.457 20 30 GGEDRM O=C([O-])c1cccc(C#Cc2cccc(NC(=O)NC[C@H]3CCC[C@H]3O)c2)c1 ZINC000833141776 979093392 /nfs/dbraw/zinc/09/33/92/979093392.db2.gz YSTIPAHMUKEWRM-UYAOXDASSA-N -1 0 378.428 3.067 20 30 GGEDRM O=C([O-])c1cccc(C#Cc2cccc(NC(=O)NC[C@@H]3CCC[C@H]3O)c2)c1 ZINC000833141770 979093545 /nfs/dbraw/zinc/09/35/45/979093545.db2.gz YSTIPAHMUKEWRM-AZUAARDMSA-N -1 0 378.428 3.067 20 30 GGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)c1sc(COC)nc1C ZINC000833379403 979175363 /nfs/dbraw/zinc/17/53/63/979175363.db2.gz BYVOPGXFGLSTCC-UHFFFAOYSA-N -1 0 377.418 3.252 20 30 GGEDRM C[C@@H](CC#N)Sc1ccccc1NC(=O)Cn1cc(C(=O)[O-])nc1C1CC1 ZINC000833515613 979196041 /nfs/dbraw/zinc/19/60/41/979196041.db2.gz JZQCNSCGPRLWJJ-LBPRGKRZSA-N -1 0 384.461 3.492 20 30 GGEDRM N#CCCN(C(=O)CCc1ccccc1C(=O)[O-])c1ccc2c(c1)OCCO2 ZINC000833760521 979237917 /nfs/dbraw/zinc/23/79/17/979237917.db2.gz XLCHKWFAMNTMIR-UHFFFAOYSA-N -1 0 380.400 3.035 20 30 GGEDRM CCC(CC)(CC(=O)[O-])C(=O)O[C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC001595048142 979264503 /nfs/dbraw/zinc/26/45/03/979264503.db2.gz VXRKXXSRPGCONP-RDYUPDBUSA-N -1 0 380.485 3.130 20 30 GGEDRM Cc1cc(F)c(S(=O)(=O)N[C@H]2CCCc3cc(C#N)ccc32)cc1C(=O)[O-] ZINC000841491500 979300051 /nfs/dbraw/zinc/30/00/51/979300051.db2.gz GWVBNWJJRXCJIS-KRWDZBQOSA-N -1 0 388.420 3.060 20 30 GGEDRM C=C(Br)CN1Cc2cccc(Br)c2C[C@@H]1C(=O)[O-] ZINC000846274888 979441102 /nfs/dbraw/zinc/44/11/02/979441102.db2.gz BITGYFMIXYVAJO-GFCCVEGCSA-N -1 0 375.060 3.169 20 30 GGEDRM C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CCC(Cc2ncc(C(=O)[O-])s2)CC1 ZINC001592834618 979577593 /nfs/dbraw/zinc/57/75/93/979577593.db2.gz SPUBRUIAFXYPEG-AWEZNQCLSA-N -1 0 397.500 3.373 20 30 GGEDRM CC[C@@](CNC(=O)C1(c2cc(F)cc(C#N)c2)CC1)(C(=O)[O-])c1ccccc1 ZINC001595138805 979583155 /nfs/dbraw/zinc/58/31/55/979583155.db2.gz ONAACMPCWRCJJY-NRFANRHFSA-N -1 0 380.419 3.278 20 30 GGEDRM CC[C@](CNC(=O)C1(c2cc(F)cc(C#N)c2)CC1)(C(=O)[O-])c1ccccc1 ZINC001595138806 979583522 /nfs/dbraw/zinc/58/35/22/979583522.db2.gz ONAACMPCWRCJJY-OAQYLSRUSA-N -1 0 380.419 3.278 20 30 GGEDRM CC[C@@](CNC(=O)Nc1cc(C)c(N(C)C)cc1C#N)(C(=O)[O-])c1ccccc1 ZINC001595152756 979648481 /nfs/dbraw/zinc/64/84/81/979648481.db2.gz NZODWDMVBKFPEJ-QFIPXVFZSA-N -1 0 394.475 3.487 20 30 GGEDRM C[C@H](Cc1ccc(NC(=O)N(C)C[C@H](O)c2cccc(C#N)c2)cc1)C(=O)[O-] ZINC001592858712 979674590 /nfs/dbraw/zinc/67/45/90/979674590.db2.gz KDJVZOXDVGAUDT-KUHUBIRLSA-N -1 0 381.432 3.019 20 30 GGEDRM C[C@@H](Cc1ccc(NC(=O)N2CCN(c3ccccc3C#N)CC2)cc1)C(=O)[O-] ZINC001592860228 979688563 /nfs/dbraw/zinc/68/85/63/979688563.db2.gz GMWKVOVRROTOQR-INIZCTEOSA-N -1 0 392.459 3.176 20 30 GGEDRM O=C([O-])[C@]1(F)CCN(C(=O)c2ccc(OC(F)(F)F)cc2C(F)(F)F)C1 ZINC000864124270 979723738 /nfs/dbraw/zinc/72/37/38/979723738.db2.gz MDDQGLRUYGFRDV-LBPRGKRZSA-N -1 0 389.223 3.243 20 30 GGEDRM C=C(C)C[C@H](NC(=O)C[C@H](NC(=O)OC(C)(C)C)c1ccccc1)C(=O)[O-] ZINC000864187114 979832887 /nfs/dbraw/zinc/83/28/87/979832887.db2.gz DPAQMDYJJFRJQK-HOTGVXAUSA-N -1 0 376.453 3.178 20 30 GGEDRM C[C@H](Cc1cnn(C)c1)C(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC001592908562 979864609 /nfs/dbraw/zinc/86/46/09/979864609.db2.gz CZHCRIQHJZRQTJ-MRXNPFEDSA-N -1 0 387.439 3.335 20 30 GGEDRM N#Cc1cccc([C@@H](NC(=O)N2CCC(CCC(=O)[O-])CC2)C(F)(F)F)c1 ZINC000864609042 979950121 /nfs/dbraw/zinc/95/01/21/979950121.db2.gz XVZFOFRRWPBTMZ-MRXNPFEDSA-N -1 0 383.370 3.448 20 30 GGEDRM C[C@H](Cn1ccnc1)NC(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC001592929999 979964030 /nfs/dbraw/zinc/96/40/30/979964030.db2.gz GVLBLRTYPLCZFG-MRXNPFEDSA-N -1 0 388.427 3.191 20 30 GGEDRM C=C1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC000871988485 980023465 /nfs/dbraw/zinc/02/34/65/980023465.db2.gz ODZKRZCVUDHHQR-DTORHVGOSA-N -1 0 392.296 3.081 20 30 GGEDRM CC[C@@H](NC(=O)[C@@H](C#N)C(=O)CCc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC001595233328 980134160 /nfs/dbraw/zinc/13/41/60/980134160.db2.gz YVSCFDIBBGEHOG-RBUKOAKNSA-N -1 0 378.428 3.294 20 30 GGEDRM CC[C@@H](NC(=O)[C@H](C#N)C(=O)CCc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC001595233329 980134174 /nfs/dbraw/zinc/13/41/74/980134174.db2.gz YVSCFDIBBGEHOG-RTBURBONSA-N -1 0 378.428 3.294 20 30 GGEDRM C[C@H](NC(=O)C(C)(C)c1cc(F)cc(C#N)c1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001592989360 980173624 /nfs/dbraw/zinc/17/36/24/980173624.db2.gz FQYGRZAMPRKDGI-IFXJQAMLSA-N -1 0 382.435 3.423 20 30 GGEDRM C[C@H](NC(=O)C(C)(C)Oc1ccc(C#N)cc1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001592991282 980188636 /nfs/dbraw/zinc/18/86/36/980188636.db2.gz ZLSAMRNPZLRXCN-KXBFYZLASA-N -1 0 380.444 3.164 20 30 GGEDRM C[C@@H](NC(=O)C(C)(C)Oc1ccc(C#N)cc1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001592991279 980188816 /nfs/dbraw/zinc/18/88/16/980188816.db2.gz ZLSAMRNPZLRXCN-BEFAXECRSA-N -1 0 380.444 3.164 20 30 GGEDRM C[C@H](NC(=O)C1(c2cc(F)cc(C#N)c2)CC1)c1ccc(OCC(=O)[O-])cc1 ZINC001592999386 980213349 /nfs/dbraw/zinc/21/33/49/980213349.db2.gz ZMDQPYHBPWCLFT-ZDUSSCGKSA-N -1 0 382.391 3.070 20 30 GGEDRM CC[C@](NC(=O)c1cc(-c2cccc(C#N)c2)no1)(C(=O)[O-])c1ccccc1 ZINC001595263031 980265503 /nfs/dbraw/zinc/26/55/03/980265503.db2.gz BVTUYGDOXNNFPY-OAQYLSRUSA-N -1 0 375.384 3.333 20 30 GGEDRM CC[C@@](NC(=O)c1cc(-c2cccc(C#N)c2)no1)(C(=O)[O-])c1ccccc1 ZINC001595263026 980265509 /nfs/dbraw/zinc/26/55/09/980265509.db2.gz BVTUYGDOXNNFPY-NRFANRHFSA-N -1 0 375.384 3.333 20 30 GGEDRM CC[C@](NC(=O)c1cc(C#N)cc(N(C)C)c1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595264150 980269980 /nfs/dbraw/zinc/26/99/80/980269980.db2.gz WTIKGIYYUGXRME-HXUWFJFHSA-N -1 0 385.851 3.398 20 30 GGEDRM C[C@@](NC(=O)COc1ccc(C#N)cc1)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001593036340 980313757 /nfs/dbraw/zinc/31/37/57/980313757.db2.gz MDLHNHLAVRKPHR-SFHVURJKSA-N -1 0 393.226 3.360 20 30 GGEDRM C[C@H](NC(=O)N1CCC(Cc2ncc(C(=O)[O-])s2)CC1)c1cccc(C#N)c1 ZINC001593052622 980356194 /nfs/dbraw/zinc/35/61/94/980356194.db2.gz CJSGODVBDVRDBU-ZDUSSCGKSA-N -1 0 398.488 3.438 20 30 GGEDRM CC[C@@](NS(=O)(=O)c1ccc(C)cc1C#N)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595313342 980477165 /nfs/dbraw/zinc/47/71/65/980477165.db2.gz OGGGRMMJEVGYTF-SFHVURJKSA-N -1 0 392.864 3.189 20 30 GGEDRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])S(=O)(=O)c1ccc(Cl)cc1C#N ZINC001595362390 980770922 /nfs/dbraw/zinc/77/09/22/980770922.db2.gz CNIPRQNHLKSJQN-INIZCTEOSA-N -1 0 392.864 3.438 20 30 GGEDRM CC[C@H](c1ccccc1)N(CC(=O)[O-])S(=O)(=O)Cc1cc(C#N)ccc1F ZINC001595362470 980771562 /nfs/dbraw/zinc/77/15/62/980771562.db2.gz FZPQYIGPGAHHGN-GOSISDBHSA-N -1 0 390.436 3.065 20 30 GGEDRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])S(=O)(=O)c1cccc(C#N)c1Cl ZINC001595362614 980772543 /nfs/dbraw/zinc/77/25/43/980772543.db2.gz LGARPGCGWOPYCA-HNNXBMFYSA-N -1 0 392.864 3.438 20 30 GGEDRM CC[C@H](c1ccccc1)N(CC(=O)[O-])S(=O)(=O)c1cccc(C#N)c1Cl ZINC001595362615 980772796 /nfs/dbraw/zinc/77/27/96/980772796.db2.gz LGARPGCGWOPYCA-OAHLLOKOSA-N -1 0 392.864 3.438 20 30 GGEDRM CCC1(CNC(=O)Nc2cccc(C#Cc3cccc(C(=O)[O-])c3)c2)COC1 ZINC001595378960 980916660 /nfs/dbraw/zinc/91/66/60/980916660.db2.gz RQISAHMTRQMKQJ-UHFFFAOYSA-N -1 0 378.428 3.333 20 30 GGEDRM CCC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](C(=O)[O-])C2)CC1 ZINC001595384647 980933550 /nfs/dbraw/zinc/93/35/50/980933550.db2.gz ZBLNEDXXSDXUJS-QGZVFWFLSA-N -1 0 379.464 3.308 20 30 GGEDRM CCC[C@@H](CCc1ccccc1)NS(=O)(=O)c1ccc(C#N)cc1C(=O)[O-] ZINC001595591953 981548932 /nfs/dbraw/zinc/54/89/32/981548932.db2.gz RAXCDTKNUDJXOG-KRWDZBQOSA-N -1 0 386.473 3.336 20 30 GGEDRM CCC[C@H](NS(=O)(=O)c1ccc(C#N)cc1C(=O)[O-])c1ccc(F)cc1F ZINC001595600203 981577845 /nfs/dbraw/zinc/57/78/45/981577845.db2.gz IBRXODFNZFPAIR-INIZCTEOSA-N -1 0 394.399 3.354 20 30 GGEDRM C=CCCC[C@H](C(=O)N1CCC(n2cc(C(=O)[O-])nn2)CC1)c1ccccc1 ZINC000909986722 981730833 /nfs/dbraw/zinc/73/08/33/981730833.db2.gz TXMLQYUPGOWIBA-SFHVURJKSA-N -1 0 382.464 3.280 20 30 GGEDRM CCCC[C@]1(c2ccccc2)NC(=O)N(Cc2cccc(C(=O)[O-])c2C#N)C1=O ZINC001595656606 982053719 /nfs/dbraw/zinc/05/37/19/982053719.db2.gz BBQXTNLZKMPPCY-JOCHJYFZSA-N -1 0 391.427 3.394 20 30 GGEDRM CCCC[C@@]1(c2ccccc2)NC(=O)N(Cc2cccc(C(=O)[O-])c2C#N)C1=O ZINC001595656610 982053816 /nfs/dbraw/zinc/05/38/16/982053816.db2.gz BBQXTNLZKMPPCY-QFIPXVFZSA-N -1 0 391.427 3.394 20 30 GGEDRM C=CCCC[C@H](NC(=O)c1c(C)nn(Cc2ccccc2)c1Cl)C(=O)[O-] ZINC000910914263 982161580 /nfs/dbraw/zinc/16/15/80/982161580.db2.gz FIFQZWAPOSFMAK-HNNXBMFYSA-N -1 0 375.856 3.433 20 30 GGEDRM C=CCCC[C@@H](NC(=O)c1c(C)nn(Cc2ccccc2)c1Cl)C(=O)[O-] ZINC000910914265 982161717 /nfs/dbraw/zinc/16/17/17/982161717.db2.gz FIFQZWAPOSFMAK-OAHLLOKOSA-N -1 0 375.856 3.433 20 30 GGEDRM C=CCOc1cc(OC)ccc1C(=O)N1CC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC000911045542 982210515 /nfs/dbraw/zinc/21/05/15/982210515.db2.gz JGEFPJOHYDOMRW-GFCCVEGCSA-N -1 0 388.445 3.044 20 30 GGEDRM CCCCCCCC(=O)N1C[C@@H](C(=O)[O-])C2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001595702072 982261478 /nfs/dbraw/zinc/26/14/78/982261478.db2.gz BQMLHKPDGHMDLF-HNNXBMFYSA-N -1 0 382.501 3.127 20 30 GGEDRM CCCCCCCCc1nnc(NC(=O)N2CCO[C@H](CC(=O)[O-])C2)s1 ZINC001595704672 982277612 /nfs/dbraw/zinc/27/76/12/982277612.db2.gz VMDPUUNYHYIOGE-CYBMUJFWSA-N -1 0 384.502 3.149 20 30 GGEDRM C=CCC1(C(=O)N2CCN([C@@H](C(=O)[O-])c3ccc(Cl)cc3)CC2)CCC1 ZINC000911224789 982295849 /nfs/dbraw/zinc/29/58/49/982295849.db2.gz CZFPNJQSSOFIKL-QGZVFWFLSA-N -1 0 376.884 3.356 20 30 GGEDRM CCCCOc1cc(OCCC)ccc1C(=O)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001595774595 982532048 /nfs/dbraw/zinc/53/20/48/982532048.db2.gz VVBXIBWQUJBZQI-UHFFFAOYSA-N -1 0 388.464 3.485 20 30 GGEDRM C#C[C@@H](NC(=O)c1ccccc1SCc1occc1C(=O)[O-])C1CCOCC1 ZINC000911792119 982645604 /nfs/dbraw/zinc/64/56/04/982645604.db2.gz QNZKLUHJMFRSOO-QGZVFWFLSA-N -1 0 399.468 3.428 20 30 GGEDRM Cc1ccc(N(CCC#N)S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)cc1 ZINC000916641578 982677203 /nfs/dbraw/zinc/67/72/03/982677203.db2.gz UOMQBABUZNNSQO-UHFFFAOYSA-N -1 0 378.837 3.456 20 30 GGEDRM CCCN(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccc(C2(C(=O)[O-])CC2)cc1 ZINC001595885678 982907481 /nfs/dbraw/zinc/90/74/81/982907481.db2.gz ALDRKQYYARJZRG-UHFFFAOYSA-N -1 0 398.484 3.275 20 30 GGEDRM CCCNc1ccc(C#N)cc1N[C@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC001595936658 983078012 /nfs/dbraw/zinc/07/80/12/983078012.db2.gz KJGYNXHHVAWDSZ-HNNXBMFYSA-N -1 0 384.461 3.357 20 30 GGEDRM CCC[C@@H]1C[C@H]1n1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C(=O)[O-])C1 ZINC001596010701 983270584 /nfs/dbraw/zinc/27/05/84/983270584.db2.gz BIZCCCWNXZCMFC-FGTMMUONSA-N -1 0 379.464 3.479 20 30 GGEDRM C#C[C@@H](NC(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1)c1ccc(Br)cc1 ZINC001588372136 983328046 /nfs/dbraw/zinc/32/80/46/983328046.db2.gz DPYHUBQJPVHOOG-LSDHHAIUSA-N -1 0 391.265 3.020 20 30 GGEDRM C#C[C@@H](NC(=O)N1CC[C@H](c2ncc(C(=O)[O-])s2)C1)c1ccc(Cl)cc1 ZINC001588372450 983331157 /nfs/dbraw/zinc/33/11/57/983331157.db2.gz LAXOPYKCVBUJGA-GXTWGEPZSA-N -1 0 389.864 3.368 20 30 GGEDRM C#C[C@@H](NC(=O)N1CCC(CCC(=O)[O-])CC1)c1ccc(Br)cc1 ZINC001588372644 983332913 /nfs/dbraw/zinc/33/29/13/983332913.db2.gz PXXCYTXAKFIVBP-MRXNPFEDSA-N -1 0 393.281 3.410 20 30 GGEDRM CCCc1c(C(=O)O[C@@H](C)C(=O)Nc2ccccc2C#N)[nH]c(C)c1C(=O)[O-] ZINC001596046636 983338820 /nfs/dbraw/zinc/33/88/20/983338820.db2.gz FFXSUGDLNMKQCO-LBPRGKRZSA-N -1 0 383.404 3.030 20 30 GGEDRM C#C[C@H](NC(=O)NCc1ccc(Cl)c(C(=O)[O-])n1)c1ccc(Cl)cc1F ZINC001588374146 983341459 /nfs/dbraw/zinc/34/14/59/983341459.db2.gz PGVFUIAKSNRGEJ-AWEZNQCLSA-N -1 0 396.205 3.399 20 30 GGEDRM C#C[C@@H](NC(=O)NCc1ccc(Cl)c(C(=O)[O-])n1)c1ccc(Cl)cc1F ZINC001588374147 983341661 /nfs/dbraw/zinc/34/16/61/983341661.db2.gz PGVFUIAKSNRGEJ-CQSZACIVSA-N -1 0 396.205 3.399 20 30 GGEDRM C#C[C@@H](NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1ccc(Cl)cc1F ZINC001588374185 983342236 /nfs/dbraw/zinc/34/22/36/983342236.db2.gz QAZRASBCZNQGDQ-OAHLLOKOSA-N -1 0 376.727 3.190 20 30 GGEDRM CCCc1c(NC(=O)N[C@H]2CCC[C@H]2C(=O)[O-])cnn1-c1cccc(C#N)c1 ZINC001596048485 983344875 /nfs/dbraw/zinc/34/48/75/983344875.db2.gz KYLIBUOGHWWSLG-CVEARBPZSA-N -1 0 381.436 3.071 20 30 GGEDRM C#C[C@@H](NS(=O)(=O)c1cc(C(F)(F)F)ccc1C(=O)[O-])c1ccccc1 ZINC001588375568 983345944 /nfs/dbraw/zinc/34/59/44/983345944.db2.gz BTZGPEDTYLVQOQ-CQSZACIVSA-N -1 0 383.347 3.056 20 30 GGEDRM CCCc1c(NC(=O)N2CCC(C#N)(C(=O)[O-])CC2)cnn1-c1cccc(C)c1 ZINC001596048933 983347218 /nfs/dbraw/zinc/34/72/18/983347218.db2.gz YIHJDXJSJOPIKL-UHFFFAOYSA-N -1 0 395.463 3.356 20 30 GGEDRM CCCc1c(NC(=O)NCC2(C(=O)[O-])CCCC2)cnn1-c1cccc(C#N)c1 ZINC001596050521 983349102 /nfs/dbraw/zinc/34/91/02/983349102.db2.gz KBTWHTCSEMQFBR-UHFFFAOYSA-N -1 0 395.463 3.463 20 30 GGEDRM C#C[C@@H](NS(=O)(=O)c1cccc(C(=O)[O-])c1C)c1ccc(Cl)cc1F ZINC001588376538 983352506 /nfs/dbraw/zinc/35/25/06/983352506.db2.gz VBJHIOBPSQGVDR-OAHLLOKOSA-N -1 0 381.812 3.139 20 30 GGEDRM C#C[C@@H](N[C@@H](C(=O)[O-])c1cccc(C(=O)OC)c1)c1ccc(Cl)cc1F ZINC001588377560 983357061 /nfs/dbraw/zinc/35/70/61/983357061.db2.gz NASOYXORGCCECA-IAGOWNOFSA-N -1 0 375.783 3.356 20 30 GGEDRM C#C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1SCCC(=O)[O-])c1ccccc1 ZINC001588378440 983362114 /nfs/dbraw/zinc/36/21/14/983362114.db2.gz XQMWZVGQSBYJMP-MRXNPFEDSA-N -1 0 384.413 3.266 20 30 GGEDRM C#C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1SCCC(=O)[O-])c1ccccc1 ZINC001588378438 983362250 /nfs/dbraw/zinc/36/22/50/983362250.db2.gz XQMWZVGQSBYJMP-INIZCTEOSA-N -1 0 384.413 3.266 20 30 GGEDRM C#CC[C@@H](NC(=O)/C(=C\c1ccc(OC(F)F)cc1)c1ccccc1)C(=O)[O-] ZINC001588396405 983408331 /nfs/dbraw/zinc/40/83/31/983408331.db2.gz YOLYXDOSBFRILP-MTMYEVCSSA-N -1 0 385.366 3.421 20 30 GGEDRM C#CC[C@H](NC(=O)[C@H](Oc1ccc(F)cc1Cl)c1ccccc1)C(=O)[O-] ZINC001588398826 983414183 /nfs/dbraw/zinc/41/41/83/983414183.db2.gz NDAXIYMPLIJACJ-DOTOQJQBSA-N -1 0 375.783 3.192 20 30 GGEDRM C#CC[C@@H](NC(=O)[C@@H](Oc1ccc(F)cc1Cl)c1ccccc1)C(=O)[O-] ZINC001588398833 983414188 /nfs/dbraw/zinc/41/41/88/983414188.db2.gz NDAXIYMPLIJACJ-WBVHZDCISA-N -1 0 375.783 3.192 20 30 GGEDRM C#CC[C@H](NC(=O)[C@@H](Oc1ccc(F)c(Cl)c1)c1ccccc1)C(=O)[O-] ZINC001588399098 983414557 /nfs/dbraw/zinc/41/45/57/983414557.db2.gz QHOCHJPNJORDRB-IRXDYDNUSA-N -1 0 375.783 3.192 20 30 GGEDRM C#CC[C@@H](NC(=O)CC[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C)C(=O)[O-] ZINC001588406741 983426451 /nfs/dbraw/zinc/42/64/51/983426451.db2.gz SZCCFATXBGUGFT-IAGOWNOFSA-N -1 0 394.512 3.223 20 30 GGEDRM C#CC[C@@H](NC(=O)c1cc(-c2cc(C)oc2C)nc2c1cnn2C(C)C)C(=O)[O-] ZINC001588414567 983434539 /nfs/dbraw/zinc/43/45/39/983434539.db2.gz WASKJUJGYZCLGH-QGZVFWFLSA-N -1 0 394.431 3.095 20 30 GGEDRM C#CC[C@@H](NC(=O)c1cn(-c2ccccc2)nc1-c1ccc(CC)cc1)C(=O)[O-] ZINC001588416254 983436764 /nfs/dbraw/zinc/43/67/64/983436764.db2.gz LIXNBSULFQVMDA-HXUWFJFHSA-N -1 0 387.439 3.308 20 30 GGEDRM C#CC[C@@]1(C(=O)N2CCc3cc(C(=O)[O-])ccc32)CCCN1C(=O)OC(C)(C)C ZINC001588428441 983461805 /nfs/dbraw/zinc/46/18/05/983461805.db2.gz OHIVYTHSSVBTGA-QFIPXVFZSA-N -1 0 398.459 3.067 20 30 GGEDRM C#CCC1(O)CCN(C(=O)Nc2sc3c(c2C(=O)[O-])CCCCC3)CC1 ZINC001588432039 983467110 /nfs/dbraw/zinc/46/71/10/983467110.db2.gz VNQKISHGJFSAFA-UHFFFAOYSA-N -1 0 376.478 3.097 20 30 GGEDRM C#CCCOc1ccc(C(=O)Nc2cc(C(F)(F)F)cnc2C(=O)[O-])cc1 ZINC001588455527 983480212 /nfs/dbraw/zinc/48/02/12/983480212.db2.gz OXBRVWGIRISHRW-UHFFFAOYSA-N -1 0 378.306 3.453 20 30 GGEDRM C#CCN(C(=O)NCc1cc(C(=O)[O-])c(C)n1C)[C@H]1CCCc2ccccc21 ZINC001588459614 983484900 /nfs/dbraw/zinc/48/49/00/983484900.db2.gz DQXAXPGLXNXFPW-FQEVSTJZSA-N -1 0 379.460 3.254 20 30 GGEDRM C#CCN(C(=O)N[C@@H]1CCCn2nc(C(=O)[O-])cc21)[C@H]1CCCc2ccccc21 ZINC001588460083 983486652 /nfs/dbraw/zinc/48/66/52/983486652.db2.gz ROIPFDABLNLLGM-MJGOQNOKSA-N -1 0 392.459 3.139 20 30 GGEDRM C#CCN(C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)[C@@H]1CCCc2ccccc21 ZINC001588461682 983490889 /nfs/dbraw/zinc/49/08/89/983490889.db2.gz XAZCGNCDAPREOI-LJQANCHMSA-N -1 0 378.384 3.446 20 30 GGEDRM C#CCN([C@H]1CCCc2ccccc21)S(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC001588463543 983491324 /nfs/dbraw/zinc/49/13/24/983491324.db2.gz AJUAWUFUODAZRG-FQEVSTJZSA-N -1 0 383.469 3.015 20 30 GGEDRM C#CCN([C@@H]1CCCc2ccccc21)S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC001588463596 983491370 /nfs/dbraw/zinc/49/13/70/983491370.db2.gz CNJSKAWSAQONGL-MRXNPFEDSA-N -1 0 375.471 3.148 20 30 GGEDRM C#CCN(CC(=O)Nc1ccc(C(=O)[O-])c2ccccc12)C(=O)OC(C)(C)C ZINC001588466082 983498305 /nfs/dbraw/zinc/49/83/05/983498305.db2.gz URNVLAANMQTVED-UHFFFAOYSA-N -1 0 382.416 3.347 20 30 GGEDRM C#CCOc1ccc(CNS(=O)(=O)c2cccc3c(C(=O)[O-])cccc32)cc1 ZINC001588497405 983538645 /nfs/dbraw/zinc/53/86/45/983538645.db2.gz CXIISWQJXQYQAU-UHFFFAOYSA-N -1 0 395.436 3.029 20 30 GGEDRM C#CCOc1ccc(CNC(=O)NC[C@H]2CCCc3ccc(C(=O)[O-])cc32)cc1 ZINC001588497489 983539066 /nfs/dbraw/zinc/53/90/66/983539066.db2.gz JSIGKGJDYULPTB-LJQANCHMSA-N -1 0 392.455 3.316 20 30 GGEDRM C#CCOc1ccc(F)cc1NC(=O)N[C@@H](C)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001588497845 983541657 /nfs/dbraw/zinc/54/16/57/983541657.db2.gz FTDVNUXIYYHJGR-YOEHRIQHSA-N -1 0 384.407 3.291 20 30 GGEDRM C#CCOc1ccc(C(=O)N[C@@H](C[C@@H]2CCCc3ccccc32)C(=O)[O-])cc1 ZINC001588499286 983545318 /nfs/dbraw/zinc/54/53/18/983545318.db2.gz VIPOEKZPMOTNQW-RXVVDRJESA-N -1 0 377.440 3.392 20 30 GGEDRM CCN([C@H](C)c1ccc(C#N)cc1)S(=O)(=O)c1cc(C(=O)[O-])c(Cl)o1 ZINC001596177649 983546466 /nfs/dbraw/zinc/54/64/66/983546466.db2.gz CZYHSRLAAAXKEF-SNVBAGLBSA-N -1 0 382.825 3.275 20 30 GGEDRM C#CCOc1ccccc1NC(=O)N[C@](C)(CC(=O)[O-])c1cccc(OC)c1 ZINC001588504670 983548542 /nfs/dbraw/zinc/54/85/42/983548542.db2.gz HZWMNRWVPGOYIW-OAQYLSRUSA-N -1 0 382.416 3.219 20 30 GGEDRM C#Cc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2SCCC(=O)[O-])cc1 ZINC001588517431 983564930 /nfs/dbraw/zinc/56/49/30/983564930.db2.gz RRVISSLAZANBIJ-UHFFFAOYSA-N -1 0 384.413 3.073 20 30 GGEDRM C#Cc1ccc(CNC(=O)N2C[C@@H](c3ccc(Cl)cc3)[C@H](C(=O)[O-])C2)cc1 ZINC001588517700 983566169 /nfs/dbraw/zinc/56/61/69/983566169.db2.gz ZYFDHRFRLQLIOH-RBUKOAKNSA-N -1 0 382.847 3.331 20 30 GGEDRM C#Cc1cccc(CNC(=O)N2CCC(Nc3cccc(C(=O)[O-])c3)CC2)c1 ZINC001588522406 983571199 /nfs/dbraw/zinc/57/11/99/983571199.db2.gz WTMOFYOSZPYDBS-UHFFFAOYSA-N -1 0 377.444 3.152 20 30 GGEDRM C#Cc1cccc(NC(=O)CN(C)[C@@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)c1 ZINC001588523429 983572253 /nfs/dbraw/zinc/57/22/53/983572253.db2.gz KFSWLZGMRYQSMA-GOSISDBHSA-N -1 0 390.361 3.383 20 30 GGEDRM C#Cc1cccc(N(Cc2cccs2)S(=O)(=O)CC2(CC(=O)[O-])CC2)c1 ZINC001588523471 983572373 /nfs/dbraw/zinc/57/23/73/983572373.db2.gz LKWDNLOMNCLFAN-UHFFFAOYSA-N -1 0 389.498 3.321 20 30 GGEDRM C#Cc1cccc(NC(=O)CNC(=O)c2ccccc2-c2ccccc2C(=O)[O-])c1 ZINC001588523661 983572905 /nfs/dbraw/zinc/57/29/05/983572905.db2.gz RGFHAOVCYVRUGO-UHFFFAOYSA-N -1 0 398.418 3.402 20 30 GGEDRM C#Cc1ccccc1CC(=O)N[C@@H](CC(=O)[O-])c1ccc(Br)cc1 ZINC001588524362 983574441 /nfs/dbraw/zinc/57/44/41/983574441.db2.gz GKLGTFHLXYTWFO-KRWDZBQOSA-N -1 0 386.245 3.305 20 30 GGEDRM C#Cc1ccccc1CC(=O)N(C)[C@H](C(=O)[O-])c1ccc(Br)s1 ZINC001588524626 983575673 /nfs/dbraw/zinc/57/56/73/983575673.db2.gz OHZVKHDKSJJOCP-INIZCTEOSA-N -1 0 392.274 3.319 20 30 GGEDRM C#Cc1ccccc1CC(=O)N[C@](C)(C(=O)[O-])c1cccc(Br)c1 ZINC001588524699 983575786 /nfs/dbraw/zinc/57/57/86/983575786.db2.gz ROXWUICBVLXZHS-IBGZPJMESA-N -1 0 386.245 3.089 20 30 GGEDRM C#Cc1cncc(C(=O)N(C(C)C)[C@@H](C)C(=O)Nc2c(C)csc2C(=O)[O-])c1 ZINC001588528748 983577906 /nfs/dbraw/zinc/57/79/06/983577906.db2.gz GNTCLKBBOBNTRQ-ZDUSSCGKSA-N -1 0 399.472 3.009 20 30 GGEDRM C#Cc1ccccc1CC(=O)Nc1nc2cc(C(=O)[O-])cc(Br)c2[nH]1 ZINC001588529300 983580816 /nfs/dbraw/zinc/58/08/16/983580816.db2.gz VUHMFJBUYNOOHB-UHFFFAOYSA-N -1 0 398.216 3.186 20 30 GGEDRM C=C(C)[C@@H](NS(=O)(=O)c1ccc(CC(=O)[O-])c(F)c1)c1ccc(F)c(F)c1 ZINC001588535127 983587821 /nfs/dbraw/zinc/58/78/21/983587821.db2.gz LSQXAUBHPNCOLY-GOSISDBHSA-N -1 0 399.390 3.327 20 30 GGEDRM C=C(C)[C@H](NS(=O)(=O)Cc1ccccc1C(=O)[O-])c1ccc(F)c(F)c1 ZINC001588536498 983594374 /nfs/dbraw/zinc/59/43/74/983594374.db2.gz XVPGBHNVVMTDLQ-KRWDZBQOSA-N -1 0 381.400 3.400 20 30 GGEDRM C=C(C)C[C@@H](NC(=O)C1C[C@H]2CCC[C@@H](C1)C2NC(=O)OC(C)(C)C)C(=O)[O-] ZINC001588537024 983597116 /nfs/dbraw/zinc/59/71/16/983597116.db2.gz HJUGLYIAWGCXSC-QSFKDOLUSA-N -1 0 394.512 3.242 20 30 GGEDRM C=C(C)C[C@@H](NC(=O)[C@]1(c2ccc(OCC)cc2)CC1(Cl)Cl)C(=O)[O-] ZINC001588537178 983598014 /nfs/dbraw/zinc/59/80/14/983598014.db2.gz JTXYHEOEQGTKQA-RHSMWYFYSA-N -1 0 386.275 3.436 20 30 GGEDRM C=C(C)C[C@H](NC(=O)[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1)C(=O)[O-] ZINC001588537199 983598610 /nfs/dbraw/zinc/59/86/10/983598610.db2.gz JYCJVVOLEOEEHS-BHYGNILZSA-N -1 0 390.480 3.424 20 30 GGEDRM C=C(C)C[C@H](NC(=O)C[C@H](O)c1ccc(OCc2ccccc2)cc1)C(=O)[O-] ZINC001588540464 983603935 /nfs/dbraw/zinc/60/39/35/983603935.db2.gz GTYVAEYBLAAOAS-PMACEKPBSA-N -1 0 383.444 3.225 20 30 GGEDRM C=C(C)C[C@@H](NC(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1)C(=O)[O-] ZINC001588540489 983604083 /nfs/dbraw/zinc/60/40/83/983604083.db2.gz HOESRYNUFDANFW-RBUKOAKNSA-N -1 0 380.444 3.083 20 30 GGEDRM C=C(C)C[C@H](NC(=O)C[C@@H](O)c1ccc(OCc2ccccc2)cc1)C(=O)[O-] ZINC001588540466 983604115 /nfs/dbraw/zinc/60/41/15/983604115.db2.gz GTYVAEYBLAAOAS-VQTJNVASSA-N -1 0 383.444 3.225 20 30 GGEDRM C=C(C)C[C@@H](NC(=O)c1cc(Br)nn1-c1ccc(C)cc1)C(=O)[O-] ZINC001588544261 983613961 /nfs/dbraw/zinc/61/39/61/983613961.db2.gz ZJAVNQMNZYMVOD-CYBMUJFWSA-N -1 0 392.253 3.092 20 30 GGEDRM C=C(C)C[C@H](NC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001588546246 983614325 /nfs/dbraw/zinc/61/43/25/983614325.db2.gz BSPLATTXWMPGPF-DYVFJYSZSA-N -1 0 398.419 3.312 20 30 GGEDRM C=C(C)C[C@H](NC(=O)c1ccc(NC(=O)c2ccc(OC)cc2)s1)C(=O)[O-] ZINC001588546331 983615084 /nfs/dbraw/zinc/61/50/84/983615084.db2.gz HCFQCWQXVJOQIA-AWEZNQCLSA-N -1 0 388.445 3.158 20 30 GGEDRM C=C(C)C[C@@H](NC(=O)c1ccc(Cn2ccc(C(F)(F)F)n2)cc1)C(=O)[O-] ZINC001588546625 983616221 /nfs/dbraw/zinc/61/62/21/983616221.db2.gz OSKYUKUXTOYZDB-CQSZACIVSA-N -1 0 381.354 3.099 20 30 GGEDRM C=C(C)C[C@H](NC(=O)c1ccc(I)cc1Cl)C(=O)[O-] ZINC001588547067 983618409 /nfs/dbraw/zinc/61/84/09/983618409.db2.gz SRNJVZKQMXHUOK-NSHDSACASA-N -1 0 393.608 3.094 20 30 GGEDRM C=C(C)C[C@H](NC(C)=O)C(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC001588547204 983618657 /nfs/dbraw/zinc/61/86/57/983618657.db2.gz HVWDTTKCEGMPNH-NRFANRHFSA-N -1 0 390.439 3.194 20 30 GGEDRM C=C(C)C[C@H](NC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1)C(=O)[O-] ZINC001588549047 983626576 /nfs/dbraw/zinc/62/65/76/983626576.db2.gz WOHGWVOWZNYWQO-KRWDZBQOSA-N -1 0 376.416 3.084 20 30 GGEDRM C=C(C)C[C@H]([NH2+]Cc1cc(Br)cc(Br)c1[O-])C(=O)[O-] ZINC001588553307 983627726 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388.942 3.456 20 30 GGEDRM C=C1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1cc(C(=O)[O-])cc(C(F)(F)F)c1 ZINC001588644131 983768287 /nfs/dbraw/zinc/76/82/87/983768287.db2.gz DCDUDLHHPKANFK-BETUJISGSA-N -1 0 375.368 3.275 20 30 GGEDRM C=C1CCC(C(=O)N2C[C@@H](C(=O)OC(C)(C)C)C3(CC(C(=O)[O-])C3)C2)CC1 ZINC001588644105 983768425 /nfs/dbraw/zinc/76/84/25/983768425.db2.gz BUFATKMYOHMFBO-TZQQIIETSA-N -1 0 377.481 3.014 20 30 GGEDRM C=C1CCC(CNS(=O)(=O)c2ccc(C(=O)[O-])cc2Br)CC1 ZINC001588649979 983771318 /nfs/dbraw/zinc/77/13/18/983771318.db2.gz QEIFOYJGFDZGKW-UHFFFAOYSA-N -1 0 388.283 3.172 20 30 GGEDRM C=CC(C)(C)CCCNS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1OC ZINC001588677108 983833992 /nfs/dbraw/zinc/83/39/92/983833992.db2.gz QURDKSRWMRETOP-UHFFFAOYSA-N -1 0 375.874 3.318 20 30 GGEDRM C=C[C@H](CC(=O)N[C@@H]1CCc2cc(C(=O)[O-])ccc2NC1=O)c1ccccc1 ZINC001588690721 983876147 /nfs/dbraw/zinc/87/61/47/983876147.db2.gz JULXUZGJSFTSOC-AUUYWEPGSA-N -1 0 378.428 3.114 20 30 GGEDRM C=CC1(CC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)CN(C(=O)OC(C)(C)C)C1 ZINC001588714546 983952290 /nfs/dbraw/zinc/95/22/90/983952290.db2.gz JGKHXSNHOQHSFS-UHFFFAOYSA-N -1 0 386.448 3.040 20 30 GGEDRM C=C[C@@H](Sc1nc2ccccc2c(=O)n1-c1ccc(OC)c(OC)c1)C(=O)[O-] ZINC001588715562 983956514 /nfs/dbraw/zinc/95/65/14/983956514.db2.gz ZDGBVTRRIKBDFK-QGZVFWFLSA-N -1 0 398.440 3.134 20 30 GGEDRM C=CC1(CC(=O)NC[C@@H](C(=O)[O-])C2CCCCC2)CN(C(=O)OC(C)(C)C)C1 ZINC001588718847 983958415 /nfs/dbraw/zinc/95/84/15/983958415.db2.gz HXALZNLYSMFXHS-MRXNPFEDSA-N -1 0 394.512 3.197 20 30 GGEDRM C=CC1(CC(=O)NCC2(CC(=O)[O-])CCCCC2)CN(C(=O)OC(C)(C)C)C1 ZINC001588719129 983958862 /nfs/dbraw/zinc/95/88/62/983958862.db2.gz LSFYHLDPXVITIF-UHFFFAOYSA-N -1 0 394.512 3.341 20 30 GGEDRM C=CCC(C)(C)CNC(=O)N1CCN([C@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC001588736655 984025799 /nfs/dbraw/zinc/02/57/99/984025799.db2.gz QNFINHAUSMFQBY-KRWDZBQOSA-N -1 0 393.915 3.395 20 30 GGEDRM C=CC[C@H](C)NC(=O)N1C[C@@H](c2ccc(Br)cc2)[C@H](C(=O)[O-])C1 ZINC001588736873 984027076 /nfs/dbraw/zinc/02/70/76/984027076.db2.gz YCWGMIAAAOWZQM-TUKIKUTGSA-N -1 0 381.270 3.223 20 30 GGEDRM C=CC[C@H](CO)CNC(=O)Nc1cc(C(=O)[O-])ccc1OCc1ccccc1 ZINC001588737742 984030565 /nfs/dbraw/zinc/03/05/65/984030565.db2.gz SHXNHZBIBNIUHD-INIZCTEOSA-N -1 0 384.432 3.270 20 30 GGEDRM C=CC[C@@H](NC(=O)N[C@H]1CCSC2(CC(C(=O)[O-])C2)C1)c1ccncc1 ZINC001588742437 984032439 /nfs/dbraw/zinc/03/24/39/984032439.db2.gz CVVWDJJBUAKPAP-YJTLQXIOSA-N -1 0 375.494 3.127 20 30 GGEDRM C=CC[C@H](Cc1ccccc1)NS(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1 ZINC001588744333 984042060 /nfs/dbraw/zinc/04/20/60/984042060.db2.gz JSVZHAWRPJPGCF-CYBMUJFWSA-N -1 0 381.400 3.129 20 30 GGEDRM C=CC[C@H](NS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1OC)c1ccncc1 ZINC001588749512 984066080 /nfs/dbraw/zinc/06/60/80/984066080.db2.gz LKHGNMAWPIUXBA-AWEZNQCLSA-N -1 0 396.852 3.038 20 30 GGEDRM C=CC[C@@H](NS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F)c1ccncc1 ZINC001588750282 984071162 /nfs/dbraw/zinc/07/11/62/984071162.db2.gz VLYHYDMPFKTWDN-CYBMUJFWSA-N -1 0 384.816 3.168 20 30 GGEDRM C=CC[C@@H](Sc1nnc(N2CCCCC2)n1-c1ccccc1OC)C(=O)[O-] ZINC001588762409 984115624 /nfs/dbraw/zinc/11/56/24/984115624.db2.gz HSRQYJJYPDVBHN-MRXNPFEDSA-N -1 0 388.493 3.388 20 30 GGEDRM C=CC[C@H](Sc1nnc(CN2CCCCC2)n1Cc1ccccc1)C(=O)[O-] ZINC001588763230 984118631 /nfs/dbraw/zinc/11/86/31/984118631.db2.gz QQKYMOOGCHCDNS-KRWDZBQOSA-N -1 0 386.521 3.434 20 30 GGEDRM C=CC[C@@H](Sc1nnc([C@H](CC)N(C)C)n1-c1ccc(OC)cc1)C(=O)[O-] ZINC001588763596 984119360 /nfs/dbraw/zinc/11/93/60/984119360.db2.gz UNBOYNRNVNDTPF-JKSUJKDBSA-N -1 0 390.509 3.410 20 30 GGEDRM C=CC[C@@]1(C(=O)Nc2ccc(C(=O)[O-])c(O)c2)CCCN1C(=O)OC(C)(C)C ZINC001588765262 984125703 /nfs/dbraw/zinc/12/57/03/984125703.db2.gz VFSDFRLMDAOLSL-FQEVSTJZSA-N -1 0 390.436 3.375 20 30 GGEDRM C=CC[C@]1(C(=O)Nc2cccc(C(=O)[O-])c2N)CCCN1C(=O)OC(C)(C)C ZINC001588765343 984126240 /nfs/dbraw/zinc/12/62/40/984126240.db2.gz YFEWMYVZUYRQCG-HXUWFJFHSA-N -1 0 389.452 3.251 20 30 GGEDRM C=CC[C@]1(C(=O)NCc2cc(C)c(C(=O)[O-])o2)CCCN1C(=O)OC(C)(C)C ZINC001588765350 984127113 /nfs/dbraw/zinc/12/71/13/984127113.db2.gz YHNDVTYUIZIVSM-HXUWFJFHSA-N -1 0 392.452 3.248 20 30 GGEDRM C=CCC1(NS(=O)(=O)c2cc(Br)cc(C(=O)[O-])c2)CCCC1 ZINC001588769051 984131620 /nfs/dbraw/zinc/13/16/20/984131620.db2.gz KJZRNVJEAVKHNO-UHFFFAOYSA-N -1 0 388.283 3.315 20 30 GGEDRM C=CCC1(O)CCN(C(=O)Nc2ccc(OCC(=O)[O-])c3ccccc23)CC1 ZINC001588769132 984132278 /nfs/dbraw/zinc/13/22/78/984132278.db2.gz MMGPGUJVKIJYOQ-UHFFFAOYSA-N -1 0 384.432 3.238 20 30 GGEDRM C=CC[C@H]1CCCN(S(=O)(=O)c2sc(C(=O)[O-])cc2Br)C1 ZINC001588772958 984146058 /nfs/dbraw/zinc/14/60/58/984146058.db2.gz RTGNCNNZZFWEFA-VIFPVBQESA-N -1 0 394.312 3.186 20 30 GGEDRM C=CCCC(C)(C)NS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Br ZINC001588777745 984157386 /nfs/dbraw/zinc/15/73/86/984157386.db2.gz IJKOZQNYYIEHIZ-UHFFFAOYSA-N -1 0 394.262 3.310 20 30 GGEDRM C=CCCC1(CNC(=O)C(=O)Nc2ccc(F)c(C(=O)[O-])c2F)CCCC1 ZINC001588778520 984160753 /nfs/dbraw/zinc/16/07/53/984160753.db2.gz CWFIQRYUALVAKU-UHFFFAOYSA-N -1 0 380.391 3.244 20 30 GGEDRM C=CCC[C@H](NC(=O)N1CCC(O)(C2(C(=O)[O-])CCC2)CC1)c1ccccc1 ZINC001588778649 984161925 /nfs/dbraw/zinc/16/19/25/984161925.db2.gz ICTJXESTYQYSGI-SFHVURJKSA-N -1 0 386.492 3.485 20 30 GGEDRM C=CCC[C@@H](NS(=O)(=O)CCCC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001588778635 984162024 /nfs/dbraw/zinc/16/20/24/984162024.db2.gz HQDKZFDNXHNFKX-CQSZACIVSA-N -1 0 379.400 3.497 20 30 GGEDRM C=CCC[C@H](NC(=O)N1CCC(n2cc(C(=O)[O-])nn2)CC1)c1ccccc1 ZINC001588778957 984163491 /nfs/dbraw/zinc/16/34/91/984163491.db2.gz OPBRMIPRHFPMHY-KRWDZBQOSA-N -1 0 383.452 3.030 20 30 GGEDRM C=CCCC[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1C)C(=O)[O-] ZINC001588785395 984179858 /nfs/dbraw/zinc/17/98/58/984179858.db2.gz GFOZRUAJWIPYAL-IRXDYDNUSA-N -1 0 390.480 3.487 20 30 GGEDRM C=CCCC[C@H](C)NS(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F ZINC001588786224 984183602 /nfs/dbraw/zinc/18/36/02/984183602.db2.gz NYBMBBDYCUOZHH-VIFPVBQESA-N -1 0 394.262 3.310 20 30 GGEDRM C=CCCC[C@H](NC(=O)[C@@]1(C)CC(c2cccc(Cl)c2F)=NO1)C(=O)[O-] ZINC001588786256 984184082 /nfs/dbraw/zinc/18/40/82/984184082.db2.gz ORUYFRRISJRZBF-SCLBCKFNSA-N -1 0 382.819 3.288 20 30 GGEDRM C=CCCC[C@H](NC(=O)[C@@](C)(NC(=O)OC(C)(C)C)c1ccccc1)C(=O)[O-] ZINC001588786713 984184499 /nfs/dbraw/zinc/18/44/99/984184499.db2.gz QYVAQIRIURWIAD-KKSFZXQISA-N -1 0 390.480 3.352 20 30 GGEDRM C=CCCC[C@@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)C1CCCCC1)C(=O)[O-] ZINC001588786999 984185434 /nfs/dbraw/zinc/18/54/34/984185434.db2.gz SLWKPDYYDNITLS-HZPDHXFCSA-N -1 0 382.501 3.386 20 30 GGEDRM C=CCCC[C@@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)(C)C)C(=O)[O-] ZINC001588787330 984186088 /nfs/dbraw/zinc/18/60/88/984186088.db2.gz VMWFQFHWJIKNTQ-IAGOWNOFSA-N -1 0 390.480 3.253 20 30 GGEDRM C=CCCC[C@H](NC(=O)CN(C(=O)OC(C)(C)C)c1ccccc1)C(=O)[O-] ZINC001588789135 984196955 /nfs/dbraw/zinc/19/69/55/984196955.db2.gz ZFSMDYPRLDUEPD-INIZCTEOSA-N -1 0 376.453 3.354 20 30 GGEDRM C=CCCC[C@H](NC(=O)CCC12CC(C1)CN2C(=O)OC(C)(C)C)C(=O)[O-] ZINC001588789127 984196976 /nfs/dbraw/zinc/19/69/76/984196976.db2.gz YYIDBYZZSYQPQI-CHWWFWEZSA-N -1 0 380.485 3.092 20 30 GGEDRM C=CCCC[C@H](NC(=O)[C@@H]1CC(c2ccc(Cl)cc2Cl)=NO1)C(=O)[O-] ZINC001588789933 984202216 /nfs/dbraw/zinc/20/22/16/984202216.db2.gz NHYRHTNUVVVFQK-ZFWWWQNUSA-N -1 0 385.247 3.412 20 30 GGEDRM C=CCCC[C@@H](NC(=O)[C@H]1CCCN(C(=O)c2cc(C)cc(C)c2)C1)C(=O)[O-] ZINC001588789949 984202648 /nfs/dbraw/zinc/20/26/48/984202648.db2.gz NRJXAPOOPAOKEU-PKOBYXMFSA-N -1 0 386.492 3.081 20 30 GGEDRM C=CCCC[C@H](NC(=O)[C@@H]1C[C@@H]1c1cc2c(cc1OCC)C[C@H](C)O2)C(=O)[O-] ZINC001588790542 984206273 /nfs/dbraw/zinc/20/62/73/984206273.db2.gz YOBLZDUXNANUHK-NZPGVSJUSA-N -1 0 387.476 3.438 20 30 GGEDRM C=CCCC[C@H](NC(=O)/C=C\[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C(=O)[O-] ZINC001588790518 984206309 /nfs/dbraw/zinc/20/63/09/984206309.db2.gz XVNABXBOZSHEMX-KNBCMTEUSA-N -1 0 380.485 3.115 20 30 GGEDRM C=CCCC[C@@H](NC(=O)c1ccccc1CCNC(=O)OC(C)(C)C)C(=O)[O-] ZINC001588792843 984213516 /nfs/dbraw/zinc/21/35/16/984213516.db2.gz GRCCJOHATKMCIE-QGZVFWFLSA-N -1 0 390.480 3.293 20 30 GGEDRM C=CCCC[C@H](NC(=O)c1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2)C(=O)[O-] ZINC001588793199 984217028 /nfs/dbraw/zinc/21/70/28/984217028.db2.gz MRIBQZAZKQRMBD-KRWDZBQOSA-N -1 0 388.464 3.477 20 30 GGEDRM C=CCCC[C@@H](NC(=O)c1cccc2c1CN(C(=O)OC(C)(C)C)C2)C(=O)[O-] ZINC001588793350 984218509 /nfs/dbraw/zinc/21/85/09/984218509.db2.gz PELDRXSNRBDIGX-QGZVFWFLSA-N -1 0 388.464 3.477 20 30 GGEDRM C=CCCC[C@@H](NC(=O)c1cccc(-n2nccc2C(F)(F)F)c1)C(=O)[O-] ZINC001588793746 984222074 /nfs/dbraw/zinc/22/20/74/984222074.db2.gz ZTROKNLYAZGPPL-CQSZACIVSA-N -1 0 381.354 3.430 20 30 GGEDRM C=CCCC[C@@H](NC(=O)N1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1)c1ccccc1 ZINC001588794093 984224133 /nfs/dbraw/zinc/22/41/33/984224133.db2.gz LCWRUVRYEWOZKB-QZTJIDSGSA-N -1 0 397.479 3.420 20 30 GGEDRM C=CCCC[C@H](NC(=O)[C@@H](c1ccccc1)N1Cc2ccccc2C1=O)C(=O)[O-] ZINC001588794226 984225241 /nfs/dbraw/zinc/22/52/41/984225241.db2.gz OWDIZDBGTWHUDK-VQTJNVASSA-N -1 0 392.455 3.309 20 30 GGEDRM C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCc1ccccc1C(=O)[O-] ZINC001588794200 984225419 /nfs/dbraw/zinc/22/54/19/984225419.db2.gz ODLAYTLMEVNXPC-KRWDZBQOSA-N -1 0 390.480 3.293 20 30 GGEDRM C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](C(=O)[O-])c1ccccc1 ZINC001588794252 984226064 /nfs/dbraw/zinc/22/60/64/984226064.db2.gz PJINADZFQQYRRW-IRXDYDNUSA-N -1 0 390.480 3.221 20 30 GGEDRM C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cc(C)c(C(=O)[O-])o1 ZINC001588794420 984227170 /nfs/dbraw/zinc/22/71/70/984227170.db2.gz UGISXRKWLSXVCQ-AWEZNQCLSA-N -1 0 380.441 3.152 20 30 GGEDRM C=CCCC[C@H](NC(=O)N1CCC(n2cc(C(=O)[O-])nn2)CC1)c1ccccc1 ZINC001588794526 984228247 /nfs/dbraw/zinc/22/82/47/984228247.db2.gz XPBJEKYBSBAHQG-SFHVURJKSA-N -1 0 397.479 3.420 20 30 GGEDRM C=CCCC[C@@H](NC(=O)c1cnn(-c2ccc(Br)cc2)c1)C(=O)[O-] ZINC001588797303 984229564 /nfs/dbraw/zinc/22/95/64/984229564.db2.gz BZAHBDVURPXBKE-OAHLLOKOSA-N -1 0 392.253 3.174 20 30 GGEDRM C=CCCC[C@@H](NC(=O)c1nc(C)n(-c2c(Cl)cccc2Cl)n1)C(=O)[O-] ZINC001588797520 984229971 /nfs/dbraw/zinc/22/99/71/984229971.db2.gz HOELTWLPCZGVEH-CYBMUJFWSA-N -1 0 397.262 3.422 20 30 GGEDRM C=CCCC[C@H](NC(=O)c1nn(-c2ccc(F)cc2F)c2c1CCC2)C(=O)[O-] ZINC001588797710 984231056 /nfs/dbraw/zinc/23/10/56/984231056.db2.gz JXEXAYKPJSLEGS-HNNXBMFYSA-N -1 0 389.402 3.179 20 30 GGEDRM C=CCCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001588802089 984247790 /nfs/dbraw/zinc/24/77/90/984247790.db2.gz BPGWRSJANWQXDQ-CRAIPNDOSA-N -1 0 398.463 3.058 20 30 GGEDRM C=CCCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001588802092 984247875 /nfs/dbraw/zinc/24/78/75/984247875.db2.gz BPGWRSJANWQXDQ-QAPCUYQASA-N -1 0 398.463 3.058 20 30 GGEDRM C=CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C(=O)[O-])C1 ZINC001588802631 984249946 /nfs/dbraw/zinc/24/99/46/984249946.db2.gz RNTWCOUDOCWXET-GOSISDBHSA-N -1 0 379.464 3.474 20 30 GGEDRM C=CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001588802496 984249949 /nfs/dbraw/zinc/24/99/49/984249949.db2.gz PAGBBHOYNQIDFX-CQSZACIVSA-N -1 0 375.860 3.261 20 30 GGEDRM C=CCCCCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@H](C(=O)[O-])C1 ZINC001588802642 984250206 /nfs/dbraw/zinc/25/02/06/984250206.db2.gz RRBFSDIXOGZORB-AWEZNQCLSA-N -1 0 390.434 3.414 20 30 GGEDRM C=CCCCn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@H](C(=O)[O-])C1 ZINC001588805945 984256508 /nfs/dbraw/zinc/25/65/08/984256508.db2.gz VJTSUGQMUCHWNU-AWEZNQCLSA-N -1 0 390.871 3.388 20 30 GGEDRM C=CCCN(OCc1ccccc1)S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC001588807319 984259500 /nfs/dbraw/zinc/25/95/00/984259500.db2.gz IXNHIGZHZVLPLR-UHFFFAOYSA-N -1 0 379.409 3.223 20 30 GGEDRM C=CCCO[C@@H](C)C(=O)N(C)[C@H](C(=O)[O-])c1ccc(Br)s1 ZINC001588809051 984264743 /nfs/dbraw/zinc/26/47/43/984264743.db2.gz XFBIBOCPNJJRAD-CABZTGNLSA-N -1 0 376.272 3.076 20 30 GGEDRM C=CCCOCCNC(=O)N1CCC(c2c[nH]c3ccc(C(=O)[O-])cc32)CC1 ZINC001588813559 984270092 /nfs/dbraw/zinc/27/00/92/984270092.db2.gz WDLAASKNCZDBIM-UHFFFAOYSA-N -1 0 385.464 3.348 20 30 GGEDRM C=CCCc1ccc(S(=O)(=O)N2CCOc3c(cccc3C(=O)[O-])C2)cc1 ZINC001588814508 984270933 /nfs/dbraw/zinc/27/09/33/984270933.db2.gz BATRXUILWJTBHW-UHFFFAOYSA-N -1 0 387.457 3.087 20 30 GGEDRM C=CCCc1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])cc(C(=O)OC)c1 ZINC001588817816 984277990 /nfs/dbraw/zinc/27/79/90/984277990.db2.gz WCCLSKFXXPUZGA-UHFFFAOYSA-N -1 0 389.429 3.091 20 30 GGEDRM C=CCN(C(=O)c1cc(F)cc(C(=O)[O-])c1)[C@H](Cc1ccccc1)C(=O)OCC ZINC001588820550 984284690 /nfs/dbraw/zinc/28/46/90/984284690.db2.gz JWDMBQXWENGGOJ-LJQANCHMSA-N -1 0 399.418 3.327 20 30 GGEDRM C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H]2CC[C@@H](CC(=O)[O-])C2)cc1 ZINC001588825417 984300698 /nfs/dbraw/zinc/30/06/98/984300698.db2.gz PKMQYIXMAGRDHJ-QAPCUYQASA-N -1 0 385.464 3.266 20 30 GGEDRM C=CCN(CCc1ccccc1)C(=O)Nc1ccc2cnn(CC(=O)[O-])c2c1 ZINC001588828794 984309483 /nfs/dbraw/zinc/30/94/83/984309483.db2.gz NIPPYZOMUVVBGJ-UHFFFAOYSA-N -1 0 378.432 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392.380 3.241 20 30 GGEDRM C=CCN(c1ncc(C(=O)[O-])s1)S(=O)(=O)c1cc(Cl)ccc1F ZINC001588832216 984320039 /nfs/dbraw/zinc/32/00/39/984320039.db2.gz HWHPXPYTSJFSMX-UHFFFAOYSA-N -1 0 376.818 3.015 20 30 GGEDRM C=CCN(Cc1cccc(C#N)c1)S(=O)(=O)c1c(C)csc1C(=O)[O-] ZINC001588832512 984322699 /nfs/dbraw/zinc/32/26/99/984322699.db2.gz IUTHIXSRUONBKQ-UHFFFAOYSA-N -1 0 376.459 3.003 20 30 GGEDRM C=CCN(Cc1cccc(C(=O)[O-])c1C#N)[C@@H](Cc1ccccc1)C(=O)OCC ZINC001588832563 984323666 /nfs/dbraw/zinc/32/36/66/984323666.db2.gz JGMMHHVDJCVKNT-NRFANRHFSA-N -1 0 392.455 3.419 20 30 GGEDRM C=CCN1C(=O)N[C@@H](c2ccc(OC)c(Br)c2)C(C(=O)[O-])=C1C ZINC001588832517 984323775 /nfs/dbraw/zinc/32/37/75/984323775.db2.gz QGVPMHIOODBHFR-AWEZNQCLSA-N -1 0 381.226 3.069 20 30 GGEDRM C=CCN(Cc1ccc(OC)cc1)S(=O)(=O)CC1(C(=O)[O-])CCCCC1 ZINC001588832769 984326058 /nfs/dbraw/zinc/32/60/58/984326058.db2.gz PEZHGPLTIXCJJR-UHFFFAOYSA-N -1 0 381.494 3.048 20 30 GGEDRM C=CCN(Cc1ccc(OC)cc1)[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC001588832926 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C=CCOC[C@@H](NC(=O)c1cc(-c2cccc(C(F)(F)F)c2)ccn1)C(=O)[O-] ZINC001588859556 984406489 /nfs/dbraw/zinc/40/64/89/984406489.db2.gz PWTJGSVEDLRUDN-MRXNPFEDSA-N -1 0 394.349 3.153 20 30 GGEDRM C=CCOC[C@H](NC(=O)c1nc(-c2ccc(Cl)c(Cl)c2)oc1C)C(=O)[O-] ZINC001588860218 984411711 /nfs/dbraw/zinc/41/17/11/984411711.db2.gz MOJQBCSDAWLWGM-ZDUSSCGKSA-N -1 0 399.230 3.342 20 30 GGEDRM C=CCOC[C@@H](NC(=O)c1sc(C(C)(C)c2ccccc2)nc1C)C(=O)[O-] ZINC001588860256 984411816 /nfs/dbraw/zinc/41/18/16/984411816.db2.gz NZMIIQCZIFAPTC-OAHLLOKOSA-N -1 0 388.489 3.163 20 30 GGEDRM C=CCOCCCNC(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC001588868951 984436301 /nfs/dbraw/zinc/43/63/01/984436301.db2.gz HNUZUEIBJXTEGX-UHFFFAOYSA-N -1 0 378.428 3.499 20 30 GGEDRM C=CCOc1ccc(C(=O)N[C@@H](Cc2cc3ccccc3o2)C(=O)[O-])cc1OC ZINC001588869504 984439164 /nfs/dbraw/zinc/43/91/64/984439164.db2.gz GPEGGCPAHKJFMN-KRWDZBQOSA-N -1 0 395.411 3.432 20 30 GGEDRM C=CCOc1cc(OC)ccc1C(=O)N[C@@H](C)c1ccc(OCC(=O)[O-])cc1 ZINC001588869584 984439874 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CC(=[NH+][N-]c1cccc(F)c1C(=O)[O-])c1c(F)cccc1N1CCOCC1 ZINC001589017672 985006759 /nfs/dbraw/zinc/00/67/59/985006759.db2.gz YVMRJIGOBITXGI-UHFFFAOYSA-N -1 0 375.375 3.336 20 30 GGEDRM CC(=NOCC(=O)c1[nH]c(C)c(C(=O)[O-])c1C)c1ccc(NC(=O)C2CC2)cc1 ZINC001589021657 985012316 /nfs/dbraw/zinc/01/23/16/985012316.db2.gz RSFRMMNQJRXZNC-UHFFFAOYSA-N -1 0 397.431 3.302 20 30 GGEDRM CC(=NOCc1nc(-c2ccccc2C)no1)c1ccc(OCC(=O)[O-])cc1 ZINC001589021629 985012575 /nfs/dbraw/zinc/01/25/75/985012575.db2.gz RCPXFOASLNVFDA-UHFFFAOYSA-N -1 0 381.388 3.449 20 30 GGEDRM CC(=NOCC(=O)N1CCC[C@H]2CCCC[C@H]21)c1ccc(OCC(=O)[O-])cc1 ZINC001589021593 985012587 /nfs/dbraw/zinc/01/25/87/985012587.db2.gz QFWVGMIMMOFMFZ-IEBWSBKVSA-N -1 0 388.464 3.072 20 30 GGEDRM CC(=O)C1=C(C(=O)[O-])N(Cc2ccccc2)C(=O)N[C@@H]1c1cc(F)ccc1F ZINC001589024275 985031453 /nfs/dbraw/zinc/03/14/53/985031453.db2.gz IBLSGWZSPAPGBP-QGZVFWFLSA-N -1 0 386.354 3.159 20 30 GGEDRM CC(=O)C1=C(C(=O)[O-])N(CC2CC2)C(=O)N[C@@H]1c1ccccc1C(F)(F)F ZINC001589024789 985040126 /nfs/dbraw/zinc/04/01/26/985040126.db2.gz ZSSAUZYGMIIRLI-CQSZACIVSA-N -1 0 382.338 3.109 20 30 GGEDRM CC(=O)C1=C(C(=O)[O-])NC(=S)N[C@H]1c1c(Cl)ccc(Cl)c1Cl ZINC001589026402 985043856 /nfs/dbraw/zinc/04/38/56/985043856.db2.gz GNFKHDPOVYYDAP-SNVBAGLBSA-N -1 0 379.652 3.093 20 30 GGEDRM CC(=O)C1=C(C(=O)[O-])N(c2ccc(C)c(F)c2)C(=O)N[C@@H]1c1cccc(F)c1 ZINC001589026810 985046024 /nfs/dbraw/zinc/04/60/24/985046024.db2.gz KTOPCQLCHKDEMW-QGZVFWFLSA-N -1 0 386.354 3.472 20 30 GGEDRM CC(=O)C1=C(C(=O)[O-])N(c2ccc(C)c(F)c2)C(=O)N[C@H]1c1cccc(F)c1 ZINC001589026807 985046081 /nfs/dbraw/zinc/04/60/81/985046081.db2.gz KTOPCQLCHKDEMW-KRWDZBQOSA-N -1 0 386.354 3.472 20 30 GGEDRM C[C@H]1CN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)C[C@@H](C(=O)[O-])O1 ZINC001599922789 985159997 /nfs/dbraw/zinc/15/99/97/985159997.db2.gz WLDXALUYTCCAJL-KYNGSXCRSA-N -1 0 379.416 3.048 20 30 GGEDRM Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl ZINC001599940329 985446429 /nfs/dbraw/zinc/44/64/29/985446429.db2.gz GHLZJOKNGDHVFK-UHFFFAOYSA-N -1 0 391.786 3.338 20 30 GGEDRM Cc1[nH]c(C(=O)[C@H](C)OC(=O)[C@H](C)Cc2ccc(C#N)cc2)c(C)c1C(=O)[O-] ZINC001599942723 985475218 /nfs/dbraw/zinc/47/52/18/985475218.db2.gz BQEGLSMFAVTYME-RISCZKNCSA-N -1 0 382.416 3.195 20 30 GGEDRM Cc1[nH]c(C(=O)[C@@H](C)OC(=O)[C@@H](C)Cc2ccc(C#N)cc2)c(C)c1C(=O)[O-] ZINC001599942725 985475351 /nfs/dbraw/zinc/47/53/51/985475351.db2.gz BQEGLSMFAVTYME-SMDDNHRTSA-N -1 0 382.416 3.195 20 30 GGEDRM CC(=O)N[C@@H](CC(C)C)C(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC001589155509 985479781 /nfs/dbraw/zinc/47/97/81/985479781.db2.gz HOJWLIOBVGWFGI-NRFANRHFSA-N -1 0 392.455 3.274 20 30 GGEDRM Cc1[nH]c(C(=O)[C@@H](C)OC(=O)C(C)(C)Oc2ccc(C#N)cc2)c(C)c1C(=O)[O-] ZINC001599944031 985493095 /nfs/dbraw/zinc/49/30/95/985493095.db2.gz NYQWJKMTHOXLBN-CYBMUJFWSA-N -1 0 398.415 3.173 20 30 GGEDRM Cc1[nH]c(C(=O)[C@H](C)OC(=O)C(C)(C)Oc2ccc(C#N)cc2)c(C)c1C(=O)[O-] ZINC001599944032 985493399 /nfs/dbraw/zinc/49/33/99/985493399.db2.gz NYQWJKMTHOXLBN-ZDUSSCGKSA-N -1 0 398.415 3.173 20 30 GGEDRM C[C@@H]1CN(C(=O)Nc2cccc(C#Cc3cccc(C(=O)[O-])c3)c2)C[C@]1(C)CO ZINC001594482845 985543454 /nfs/dbraw/zinc/54/34/54/985543454.db2.gz VVJRPPCLPSNQPV-WAIKUNEKSA-N -1 0 392.455 3.267 20 30 GGEDRM Cc1[nH]c(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)c(C)c1C(=O)OC(C)C ZINC001599961358 985787442 /nfs/dbraw/zinc/78/74/42/985787442.db2.gz RMQKVAKRPDSUEX-QGZVFWFLSA-N -1 0 384.388 3.051 20 30 GGEDRM CCOCCCN(C[C@H](C)C(=O)[O-])c1ccc(C#N)c(Br)c1F ZINC001596914741 985933705 /nfs/dbraw/zinc/93/37/05/985933705.db2.gz HSGLODHCBRRCGH-NSHDSACASA-N -1 0 387.249 3.414 20 30 GGEDRM CCOCCCN(C[C@@H](C)C(=O)[O-])c1ccc(C#N)c(Br)c1F ZINC001596914740 985933714 /nfs/dbraw/zinc/93/37/14/985933714.db2.gz HSGLODHCBRRCGH-LLVKDONJSA-N -1 0 387.249 3.414 20 30 GGEDRM Cc1c(Br)c(C(=O)[O-])nn1CN(C)c1cc(Cl)ccc1C#N ZINC001599970311 985995748 /nfs/dbraw/zinc/99/57/48/985995748.db2.gz QKOQMPTVGRELBW-UHFFFAOYSA-N -1 0 383.633 3.271 20 30 GGEDRM CCOCCN(Cc1ccc(C(=O)[O-])o1)C(=O)c1cc(C#N)ccc1Cl ZINC001596927701 986003610 /nfs/dbraw/zinc/00/36/10/986003610.db2.gz JQGIVDDIHMBXAO-UHFFFAOYSA-N -1 0 376.796 3.182 20 30 GGEDRM Cc1c(C)n(-c2ccccc2)c(NC(=O)CN2CCCCC[C@H]2C(=O)[O-])c1C#N ZINC001599973109 986042653 /nfs/dbraw/zinc/04/26/53/986042653.db2.gz INMVLRVCXONTPD-IBGZPJMESA-N -1 0 394.475 3.234 20 30 GGEDRM Cc1nc(C(=O)[O-])cn1CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 ZINC001599973467 986049010 /nfs/dbraw/zinc/04/90/10/986049010.db2.gz UXRICDHBGVGSKQ-UHFFFAOYSA-N -1 0 383.452 3.324 20 30 GGEDRM C[C@@](C#N)(NC(=O)CNc1ccc(Oc2ccccc2)cc1C(=O)[O-])C1CC1 ZINC001589323726 986148918 /nfs/dbraw/zinc/14/89/18/986148918.db2.gz LCWILTPNRQGTOV-NRFANRHFSA-N -1 0 379.416 3.397 20 30 GGEDRM C[C@H](C#N)CN(C(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)(F)F)C1CC1 ZINC001589329151 986162564 /nfs/dbraw/zinc/16/25/64/986162564.db2.gz JYFCXZNAPXPYTI-SNVBAGLBSA-N -1 0 385.342 3.482 20 30 GGEDRM C[C@H](C#N)CN(Cn1ncc2c1ccc(Br)c2C(=O)[O-])C1CC1 ZINC001589330512 986173473 /nfs/dbraw/zinc/17/34/73/986173473.db2.gz HTNKUOKKEDBHKB-SNVBAGLBSA-N -1 0 377.242 3.079 20 30 GGEDRM C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1cc(C(=O)[O-])co1 ZINC001589331877 986193624 /nfs/dbraw/zinc/19/36/24/986193624.db2.gz RRHGXZXAVLATJY-LLVKDONJSA-N -1 0 388.401 3.025 20 30 GGEDRM C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1 ZINC001589331942 986194812 /nfs/dbraw/zinc/19/48/12/986194812.db2.gz UKEQBQWFLDTYNK-IVMMDQJWSA-N -1 0 398.381 3.216 20 30 GGEDRM C[C@H](C#N)Oc1ccccc1NC(=O)N(C)Cc1ccc(OCC(=O)[O-])cc1 ZINC001589334580 986203317 /nfs/dbraw/zinc/20/33/17/986203317.db2.gz HDJCSUQDGRXXEJ-CQSZACIVSA-N -1 0 383.404 3.105 20 30 GGEDRM C[C@@H](C#N)Oc1ccccc1NC(=O)c1cc(C(=O)[O-])nn1-c1ccccc1 ZINC001589334989 986206400 /nfs/dbraw/zinc/20/64/00/986206400.db2.gz KVUHBMOGRZHMKG-ZDUSSCGKSA-N -1 0 376.372 3.114 20 30 GGEDRM C[C@@H](C#N)Oc1ccccc1NC(=O)N[C@@H]1CCSC2(CC(C(=O)[O-])C2)C1 ZINC001589335087 986207390 /nfs/dbraw/zinc/20/73/90/986207390.db2.gz NGCRQFLZRYPIRP-TXCIGDHXSA-N -1 0 389.477 3.228 20 30 GGEDRM Cc1c(C(=O)[O-])cc(C=NNc2ccc([N+](=O)[O-])cc2Br)n1C ZINC001599984186 986208056 /nfs/dbraw/zinc/20/80/56/986208056.db2.gz DGNGTGSEUBHDCM-UHFFFAOYSA-N -1 0 381.186 3.148 20 30 GGEDRM Cc1c(C(=O)[O-])c2cc(OC(=O)[C@@H](C#N)Cc3ccc(C#N)cc3)ccc2n1C ZINC001599985464 986221054 /nfs/dbraw/zinc/22/10/54/986221054.db2.gz RESPLLVZBUFPHE-MRXNPFEDSA-N -1 0 387.395 3.344 20 30 GGEDRM CCOc1cc(-c2nnc(COc3ccc(C#N)cc3)o2)ccc1OCC(=O)[O-] ZINC001596993504 986284211 /nfs/dbraw/zinc/28/42/11/986284211.db2.gz HIVHDVQETDYXQZ-UHFFFAOYSA-N -1 0 395.371 3.049 20 30 GGEDRM C[C@H]1CN(S(=O)(=O)c2ccc(C#N)cc2C(=O)[O-])CC[C@@H]1c1ccccc1 ZINC001594555845 986291691 /nfs/dbraw/zinc/29/16/91/986291691.db2.gz ZQSLWRITBGPFHV-YOEHRIQHSA-N -1 0 384.457 3.071 20 30 GGEDRM C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1C(=O)C1(c2cccc(C#N)c2)CC1 ZINC001594560932 986309593 /nfs/dbraw/zinc/30/95/93/986309593.db2.gz CRGYRACURYCOLH-MRXNPFEDSA-N -1 0 389.455 3.025 20 30 GGEDRM C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1C(=O)NCC1(C#N)CCCCC1 ZINC001594561674 986321980 /nfs/dbraw/zinc/32/19/80/986321980.db2.gz HQXBAQOBDKMXRO-MRXNPFEDSA-N -1 0 384.480 3.079 20 30 GGEDRM CCOc1cc(CN=Nc2cnccn2)ccc1OCc1ccc(C(=O)[O-])o1 ZINC001597032592 986457005 /nfs/dbraw/zinc/45/70/05/986457005.db2.gz IPMDONBZDGCHOA-UHFFFAOYSA-N -1 0 382.376 3.192 20 30 GGEDRM CCOc1cc(C=NN[C@H]2CCCOC2)ccc1OCc1ccc(C(=O)[O-])o1 ZINC001597032522 986457016 /nfs/dbraw/zinc/45/70/16/986457016.db2.gz GWAZOOKPRWJOIK-HNNXBMFYSA-N -1 0 388.420 3.058 20 30 GGEDRM CCOc1cc(CN=Nc2ncccn2)ccc1OCc1ccc(C(=O)[O-])o1 ZINC001597034178 986467506 /nfs/dbraw/zinc/46/75/06/986467506.db2.gz YJKFUHIKRYLDSC-UHFFFAOYSA-N -1 0 382.376 3.192 20 30 GGEDRM C[C@H]1CN(C(=O)c2cccc(COc3cccc(C#N)c3)c2)CC[C@H]1C(=O)[O-] ZINC001589392568 986513974 /nfs/dbraw/zinc/51/39/74/986513974.db2.gz KLGTVFWUAPSNSV-MGPUTAFESA-N -1 0 378.428 3.320 20 30 GGEDRM CCOc1ccc(C#N)cc1NC(=O)N[C@@H](C)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001597056162 986540572 /nfs/dbraw/zinc/54/05/72/986540572.db2.gz VIRKSHKMDCFUFU-WMLDXEAASA-N -1 0 381.432 3.410 20 30 GGEDRM C[C@H]1COCC[C@@H]1NC(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC001594603675 986553115 /nfs/dbraw/zinc/55/31/15/986553115.db2.gz KXKLSKYGNVOGIS-YWZLYKJASA-N -1 0 378.428 3.331 20 30 GGEDRM C[C@@H]1COCC[C@@H]1NC(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC001594603673 986553438 /nfs/dbraw/zinc/55/34/38/986553438.db2.gz KXKLSKYGNVOGIS-QRWLVFNGSA-N -1 0 378.428 3.331 20 30 GGEDRM CCOc1ccc(C[C@@H](CNC(=O)C2(c3ccc(C#N)cc3)CC2)C(=O)[O-])cc1 ZINC001597084363 986641846 /nfs/dbraw/zinc/64/18/46/986641846.db2.gz FNPIINGHODZZGK-SFHVURJKSA-N -1 0 392.455 3.048 20 30 GGEDRM CCOc1ccc(C[C@H](CNC(=O)Nc2cc(C)cc(C#N)c2)C(=O)[O-])cc1 ZINC001597088322 986661135 /nfs/dbraw/zinc/66/11/35/986661135.db2.gz JWELIVSODBAZAK-QGZVFWFLSA-N -1 0 381.432 3.330 20 30 GGEDRM CCOc1ccc(C[C@@H](CNC(=O)Nc2cc(C)cc(C#N)c2)C(=O)[O-])cc1 ZINC001597088320 986661235 /nfs/dbraw/zinc/66/12/35/986661235.db2.gz JWELIVSODBAZAK-KRWDZBQOSA-N -1 0 381.432 3.330 20 30 GGEDRM CCOc1ccc(C[C@H](CNC(=O)c2ccccc2SCC#N)C(=O)[O-])cc1 ZINC001597088562 986663374 /nfs/dbraw/zinc/66/33/74/986663374.db2.gz IMTHRVSINKIHDC-MRXNPFEDSA-N -1 0 398.484 3.374 20 30 GGEDRM CCOc1ccc(C[C@H](CNC(=O)Nc2cccc(CC#N)c2)C(=O)[O-])cc1 ZINC001597089494 986672163 /nfs/dbraw/zinc/67/21/63/986672163.db2.gz YPKDLSPEHBLOPA-QGZVFWFLSA-N -1 0 381.432 3.216 20 30 GGEDRM C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC001589431100 986724843 /nfs/dbraw/zinc/72/48/43/986724843.db2.gz DMQZCCYXLHYFOT-SJCJKPOMSA-N -1 0 383.835 3.223 20 30 GGEDRM C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCOc2c(cccc2C(=O)[O-])C1 ZINC001589431708 986732292 /nfs/dbraw/zinc/73/22/92/986732292.db2.gz LJVCRUJHNKQQQD-LBPRGKRZSA-N -1 0 399.834 3.131 20 30 GGEDRM C[C@@H](C(=O)Nc1cccc(CSc2ccccn2)c1)N(CC#N)CCC(=O)[O-] ZINC001589440580 986787896 /nfs/dbraw/zinc/78/78/96/986787896.db2.gz ZBHZWALTHCFLOA-HNNXBMFYSA-N -1 0 398.488 3.001 20 30 GGEDRM CCOc1ccccc1[C@@H](CC)NS(=O)(=O)c1ccc(C#N)cc1C(=O)[O-] ZINC001597173454 987018175 /nfs/dbraw/zinc/01/81/75/987018175.db2.gz VYKHIQZWISKTHP-MRXNPFEDSA-N -1 0 388.445 3.085 20 30 GGEDRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)CCCC(=O)Nc2ccccc2C#N)cc1 ZINC001589503379 987107931 /nfs/dbraw/zinc/10/79/31/987107931.db2.gz DDYFVHMOXUHDAO-CQSZACIVSA-N -1 0 379.416 3.494 20 30 GGEDRM C[C@H](C(=O)[O-])c1ccc(NC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC001589508687 987130442 /nfs/dbraw/zinc/13/04/42/987130442.db2.gz LPCCOCKTPAPJHL-INIZCTEOSA-N -1 0 392.459 3.096 20 30 GGEDRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC001589508689 987130592 /nfs/dbraw/zinc/13/05/92/987130592.db2.gz LPCCOCKTPAPJHL-MRXNPFEDSA-N -1 0 392.459 3.096 20 30 GGEDRM C[C@H](C(=O)[O-])c1ccc(NC(=O)N2CCCN(c3ccccc3C#N)CC2)cc1 ZINC001589509772 987133103 /nfs/dbraw/zinc/13/31/03/987133103.db2.gz QPAGEODNXXVMOO-INIZCTEOSA-N -1 0 392.459 3.491 20 30 GGEDRM CC[C@@H](C#N)Oc1cc(CNC(=O)c2ccc(C)c(C(=O)[O-])c2)ccc1OC ZINC001594724677 987221663 /nfs/dbraw/zinc/22/16/63/987221663.db2.gz APLHWLCZVLVMBQ-INIZCTEOSA-N -1 0 382.416 3.313 20 30 GGEDRM CC[C@H](C#N)Oc1cc(CNC(=O)CCc2ccc(C(=O)[O-])cc2)ccc1OC ZINC001594725131 987227399 /nfs/dbraw/zinc/22/73/99/987227399.db2.gz MAFPUGNTDXRRKB-GOSISDBHSA-N -1 0 396.443 3.323 20 30 GGEDRM CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2ccc(C(=O)[O-])s2)ccc1OC ZINC001594725244 987228087 /nfs/dbraw/zinc/22/80/87/987228087.db2.gz PLLYKKKAGIXQHV-LBPRGKRZSA-N -1 0 389.433 3.458 20 30 GGEDRM CC[C@@H](C#N)Oc1cccc(CNC(=O)NCCc2ccccc2C(=O)[O-])c1 ZINC001594725385 987229810 /nfs/dbraw/zinc/22/98/10/987229810.db2.gz UMKWZXZRENGKNL-KRWDZBQOSA-N -1 0 381.432 3.108 20 30 GGEDRM CC[C@@H](C#N)Oc1cc(CN[C@@H](C)c2ncc(C(=O)[O-])s2)ccc1OC ZINC001594725427 987230897 /nfs/dbraw/zinc/23/08/97/987230897.db2.gz WLUSBOHAYYBZMN-AAEUAGOBSA-N -1 0 375.450 3.382 20 30 GGEDRM CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(C(=O)[O-])c(OC)c2)c1 ZINC001594725410 987231324 /nfs/dbraw/zinc/23/13/24/987231324.db2.gz VQPYEOOMMWLPIQ-OAHLLOKOSA-N -1 0 383.404 3.396 20 30 GGEDRM CC[C@H](C#N)Oc1cc(CN[C@H](C)c2ncc(C(=O)[O-])s2)ccc1OC ZINC001594725428 987231362 /nfs/dbraw/zinc/23/13/62/987231362.db2.gz WLUSBOHAYYBZMN-DGCLKSJQSA-N -1 0 375.450 3.382 20 30 GGEDRM CC(C)(C#N)CCS(=O)(=O)Nc1ccc(N2CCCCC2)c(C(=O)[O-])c1 ZINC001589554938 987305137 /nfs/dbraw/zinc/30/51/37/987305137.db2.gz XJBSLORMLOLPDA-UHFFFAOYSA-N -1 0 379.482 3.057 20 30 GGEDRM CC(C)(C#N)c1ccc(S(=O)(=O)N(CCC(=O)[O-])c2cccc(F)c2)cc1 ZINC001589557678 987306762 /nfs/dbraw/zinc/30/67/62/987306762.db2.gz FCTSIAGWQHWQNP-UHFFFAOYSA-N -1 0 390.436 3.297 20 30 GGEDRM CC(C)(C#N)c1ccc(C(=O)N2CCN(c3ccc(C(=O)[O-])s3)CC2)cc1 ZINC001589558091 987308552 /nfs/dbraw/zinc/30/85/52/987308552.db2.gz LYQXZCWETNWUAS-UHFFFAOYSA-N -1 0 383.473 3.210 20 30 GGEDRM CC(C)(C#N)c1ccc(S(=O)(=O)Oc2ccc(CC(=O)[O-])cc2F)cc1 ZINC001589560700 987316212 /nfs/dbraw/zinc/31/62/12/987316212.db2.gz NBIBJFSYJFJRQR-UHFFFAOYSA-N -1 0 377.393 3.022 20 30 GGEDRM CCSc1ccc(Cn2cc(C(=O)[O-])cc(C#N)c2=O)c(Br)c1 ZINC001597272382 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ZINC001599869919 989332280 /nfs/dbraw/zinc/33/22/80/989332280.db2.gz REEAQNPBSRJZJC-NVXWUHKLSA-N -1 0 381.480 3.065 20 30 GGEDRM CCc1oc(C=NNc2ccccc2S(=O)(=O)NC(C)(C)C)cc1C(=O)[O-] ZINC001597792650 989333141 /nfs/dbraw/zinc/33/31/41/989333141.db2.gz CLSHTUULEJTGGF-UHFFFAOYSA-N -1 0 393.465 3.063 20 30 GGEDRM CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N[C@H](CC1CCCCC1)C(=O)[O-] ZINC001590124040 989345264 /nfs/dbraw/zinc/34/52/64/989345264.db2.gz CXORSDKEWJKFFP-JKSUJKDBSA-N -1 0 395.500 3.113 20 30 GGEDRM CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)NCC1(C(=O)[O-])CCCCC1 ZINC001590124535 989351111 /nfs/dbraw/zinc/35/11/11/989351111.db2.gz NLKFPKIAHUEBEI-HNNXBMFYSA-N -1 0 395.500 3.115 20 30 GGEDRM CCc1oc(CN2CCN(c3c(C#N)cnc4ccccc43)CC2)cc1C(=O)[O-] ZINC001597799386 989380625 /nfs/dbraw/zinc/38/06/25/989380625.db2.gz QIMFUPRIYCXTNS-UHFFFAOYSA-N -1 0 390.443 3.282 20 30 GGEDRM CCn1c(Cc2cccc(C#N)c2C)nnc1N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001597857253 989615187 /nfs/dbraw/zinc/61/51/87/989615187.db2.gz 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ZINC001599096440 997291023 /nfs/dbraw/zinc/29/10/23/997291023.db2.gz UHWRWBFXTGDARN-UHFFFAOYSA-N -1 0 394.427 3.058 20 30 GGEDRM COc1ccc([C@@H](CC(=O)[O-])NC(=O)Nc2cc(C#N)ccc2F)c(OC)c1 ZINC001599510619 997292301 /nfs/dbraw/zinc/29/23/01/997292301.db2.gz KMXAYMHBRXOTJI-OAHLLOKOSA-N -1 0 387.367 3.052 20 30 GGEDRM COc1ccc([C@@H](CC(=O)[O-])NC(=O)Nc2ccc(F)c(C#N)c2)c(OC)c1 ZINC001599512126 997315296 /nfs/dbraw/zinc/31/52/96/997315296.db2.gz UCGYGGLUHYELPK-MRXNPFEDSA-N -1 0 387.367 3.052 20 30 GGEDRM COc1ccc([C@H](CC(=O)[O-])NC(=O)Nc2scc(C)c2C#N)c(OC)c1 ZINC001599512784 997325434 /nfs/dbraw/zinc/32/54/34/997325434.db2.gz QYLVGCXQRNGOFP-AWEZNQCLSA-N -1 0 389.433 3.283 20 30 GGEDRM COCc1nocc1C(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC001599307543 997352253 /nfs/dbraw/zinc/35/22/53/997352253.db2.gz VPLPSVXCOLVSBX-UHFFFAOYSA-N -1 0 376.368 3.171 20 30 GGEDRM COC(=O)c1c(C(=O)[O-])c2n(c1-c1cccc(NC(=O)C(C)(C)C#N)c1)CCC2 ZINC001598913502 997411285 /nfs/dbraw/zinc/41/12/85/997411285.db2.gz 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COc1cc(CNC(=O)N[C@H]2CCCc3cc(C#N)ccc32)ccc1C(=O)[O-] ZINC001599413878 997469841 /nfs/dbraw/zinc/46/98/41/997469841.db2.gz RCLGFMYJOUOMQY-SFHVURJKSA-N -1 0 379.416 3.142 20 30 GGEDRM COc1ccc([C@H](NC(=O)CON=Cc2ccc(C(=O)[O-])cc2)C2CC2)cc1 ZINC001599521138 997482455 /nfs/dbraw/zinc/48/24/55/997482455.db2.gz SXWSEHKCPZQOIZ-HXUWFJFHSA-N -1 0 382.416 3.011 20 30 GGEDRM COc1ccc([C@@H](NC(=O)C#Cc2ccc(C(F)(F)F)cc2)C(=O)[O-])cc1 ZINC001599521326 997485241 /nfs/dbraw/zinc/48/52/41/997485241.db2.gz RTEZVFFHGJCNIO-QGZVFWFLSA-N -1 0 377.318 3.008 20 30 GGEDRM COc1ccc([C@H](NC(=O)c2cc3ccccc3n2CC#N)C(=O)[O-])cc1Cl ZINC001599524163 997530503 /nfs/dbraw/zinc/53/05/03/997530503.db2.gz FSPHHSYKKWTCHD-SFHVURJKSA-N -1 0 397.818 3.383 20 30 GGEDRM COc1ccc([C@H](NC(=O)c2ccc3c(C#N)c[nH]c3c2)C(=O)[O-])cc1Cl ZINC001599524366 997534016 /nfs/dbraw/zinc/53/40/16/997534016.db2.gz PPCSUDRAOZVUCT-KRWDZBQOSA-N -1 0 383.791 3.257 20 30 GGEDRM CON=Cc1ccc(C(=O)N[C@H](C[C@@H]2CCCc3ccccc32)C(=O)[O-])cc1 ZINC001599320211 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KMZYUYMCPJVKOT-KRWDZBQOSA-N -1 0 398.459 3.106 20 30 GGEDRM COc1cc(NC(=O)C(F)(F)c2ccccc2C#N)c(C(=O)[O-])cc1OC ZINC001599433402 997800132 /nfs/dbraw/zinc/80/01/32/997800132.db2.gz REMSZJZUSLXYHH-UHFFFAOYSA-N -1 0 376.315 3.004 20 30 GGEDRM COc1cc(NC(=O)N[C@H](CCC(=O)[O-])Cc2ccccc2)c(F)cc1C#N ZINC001599436354 997853959 /nfs/dbraw/zinc/85/39/59/997853959.db2.gz APERWEVZKJNNBY-OAHLLOKOSA-N -1 0 385.395 3.304 20 30 GGEDRM COC(=O)c1cc(NC(=O)C(C)(C)c2cc(F)cc(C#N)c2)cc(C(=O)[O-])c1 ZINC001598936980 997887915 /nfs/dbraw/zinc/88/79/15/997887915.db2.gz DYGLFHYMGPDZGQ-UHFFFAOYSA-N -1 0 384.363 3.098 20 30 GGEDRM COc1ccc(/C=C/C(=O)[O-])cc1OS(=O)(=O)c1ccc(C#N)cc1Cl ZINC001599545851 997921291 /nfs/dbraw/zinc/92/12/91/997921291.db2.gz IYIJEDFOHIHNHM-QPJJXVBHSA-N -1 0 393.804 3.086 20 30 GGEDRM COc1ccc(/C=C/C(=O)[O-])cc1OS(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC001599546623 997933601 /nfs/dbraw/zinc/93/36/01/997933601.db2.gz ORUVDBRTBUQRFN-XVNBXDOJSA-N -1 0 393.804 3.086 20 30 GGEDRM COc1ccc(/C=C\C(=O)[O-])cc1OCc1nnc(-c2ccc(C#N)cc2)o1 ZINC001599546965 997939542 /nfs/dbraw/zinc/93/95/42/997939542.db2.gz QEVPHVDUJZBVEX-UITAMQMPSA-N -1 0 377.356 3.294 20 30 GGEDRM COc1cc(NC(=O)c2cccc(CC#N)c2)c(C(=O)[O-])cc1Br ZINC001599441881 997943078 /nfs/dbraw/zinc/94/30/78/997943078.db2.gz MRINWUHOQGZONX-UHFFFAOYSA-N -1 0 389.205 3.474 20 30 GGEDRM COc1c(NCC(=O)N(CCC#N)c2cccc(C)c2C)cccc1C(=O)[O-] ZINC001599343589 997961808 /nfs/dbraw/zinc/96/18/08/997961808.db2.gz ROBBNOFHRJMTGC-UHFFFAOYSA-N -1 0 381.432 3.369 20 30 GGEDRM COc1ccc(CC(=O)Nc2cccc(C#Cc3cccc(C(=O)[O-])c3)c2)nc1 ZINC001599548515 997964959 /nfs/dbraw/zinc/96/49/59/997964959.db2.gz GVNZYWSRCSQTRX-UHFFFAOYSA-N -1 0 386.407 3.369 20 30 GGEDRM COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC001599238646 997994371 /nfs/dbraw/zinc/99/43/71/997994371.db2.gz PFZLRSWVHRXCHZ-UHFFFAOYSA-N -1 0 397.431 3.092 20 30 GGEDRM COC(=O)c1cc(NC(=O)N[C@H](CCC#N)c2ccccc2)cc(C(=O)[O-])c1 ZINC001598943437 998015258 /nfs/dbraw/zinc/01/52/58/998015258.db2.gz YPCBEVOXJWMTGQ-QGZVFWFLSA-N -1 0 381.388 3.338 20 30 GGEDRM C[C@]12COC[C@@H]1CN(C(=O)Nc1cccc(C#Cc3cccc(C(=O)[O-])c3)c1)C2 ZINC001594088738 998026395 /nfs/dbraw/zinc/02/63/95/998026395.db2.gz SCGQXRXNOZHQCX-CVDCTZTESA-N -1 0 390.439 3.285 20 30 GGEDRM COc1cc(C#N)ccc1NC(=O)NCCc1cc2ccc(C(=O)[O-])cc2o1 ZINC001599347279 998029864 /nfs/dbraw/zinc/02/98/64/998029864.db2.gz BKTSPALLTNSUAJ-UHFFFAOYSA-N -1 0 379.372 3.375 20 30 GGEDRM CO[C@@H]1CN(C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)[C@](C)(C(=O)[O-])C1 ZINC001599135419 998033190 /nfs/dbraw/zinc/03/31/90/998033190.db2.gz YKBNTSBEOUMPRM-BTYIYWSLSA-N -1 0 398.390 3.194 20 30 GGEDRM COc1cc(C#N)ccc1NC(=O)N1CCC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC001599347626 998036384 /nfs/dbraw/zinc/03/63/84/998036384.db2.gz HZMXXRMYPIGEHM-GFCCVEGCSA-N -1 0 386.433 3.133 20 30 GGEDRM COc1cc(C#N)ccc1NC(=O)N1CCC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC001599347628 998036402 /nfs/dbraw/zinc/03/64/02/998036402.db2.gz HZMXXRMYPIGEHM-LBPRGKRZSA-N -1 0 386.433 3.133 20 30 GGEDRM COc1cc(OC(=O)c2cccc(C#N)c2Br)ccc1C(=O)[O-] ZINC001599447821 998038169 /nfs/dbraw/zinc/03/81/69/998038169.db2.gz OHINWOFBDZGDTI-UHFFFAOYSA-N -1 0 376.162 3.247 20 30 GGEDRM COc1cc(C#N)ccc1NC(=O)N1CCC[C@H]1c1nc(C(=O)[O-])c(C)s1 ZINC001599347961 998042527 /nfs/dbraw/zinc/04/25/27/998042527.db2.gz NCORHLSEOXBBKA-ZDUSSCGKSA-N -1 0 386.433 3.399 20 30 GGEDRM COc1cc(C#N)ccc1CN1CCN([C@H](C(=O)[O-])c2ccc(Cl)cc2)CC1 ZINC001599348021 998044046 /nfs/dbraw/zinc/04/40/46/998044046.db2.gz QGZWAPFFKMPQOY-FQEVSTJZSA-N -1 0 399.878 3.164 20 30 GGEDRM COc1cc(OC(=O)c2ccc(Br)cc2C#N)ccc1C(=O)[O-] ZINC001599448263 998045839 /nfs/dbraw/zinc/04/58/39/998045839.db2.gz VMJKYHVKJJAWNK-UHFFFAOYSA-N -1 0 376.162 3.247 20 30 GGEDRM COc1cc(C#N)ccc1CN1CCc2cc(OC)c(OC)cc2[C@@H]1CC(=O)[O-] ZINC001599348265 998047718 /nfs/dbraw/zinc/04/77/18/998047718.db2.gz VCACYCOJNWFXGI-SFHVURJKSA-N -1 0 396.443 3.158 20 30 GGEDRM COC(=O)c1cc(NC(=O)Nc2ccccc2O[C@@H](C)C#N)ccc1C(=O)[O-] ZINC001598945970 998057479 /nfs/dbraw/zinc/05/74/79/998057479.db2.gz OTSIMZCDMMKKLH-NSHDSACASA-N -1 0 383.360 3.106 20 30 GGEDRM COc1cc(C#N)ccc1S(=O)(=O)Oc1cc2ccccc2cc1C(=O)[O-] ZINC001599350032 998076252 /nfs/dbraw/zinc/07/62/52/998076252.db2.gz RYUDIXXXRUPYCK-UHFFFAOYSA-N -1 0 383.381 3.186 20 30 GGEDRM COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC2(CC(=O)[O-])CC2)cc1 ZINC001599350190 998080001 /nfs/dbraw/zinc/08/00/01/998080001.db2.gz FQHFKCQHNOSHIG-UHFFFAOYSA-N -1 0 381.388 3.488 20 30 GGEDRM COc1cccc(C(=O)[O-])c1N(C)C(=O)CCCOc1ccc(C#N)cc1OC ZINC001599350189 998080304 /nfs/dbraw/zinc/08/03/04/998080304.db2.gz FQEPYUGGQLKVDG-UHFFFAOYSA-N -1 0 398.415 3.096 20 30 GGEDRM COc1cc(C#N)ccc1OCCCC(=O)NC[C@@H](C(=O)[O-])c1ccc(C)cc1 ZINC001599350261 998080839 /nfs/dbraw/zinc/08/08/39/998080839.db2.gz IEYYEVXTLHWSCC-GOSISDBHSA-N -1 0 396.443 3.019 20 30 GGEDRM COc1cc(C#N)ccc1OCCCC(=O)N(Cc1ccccc1)[C@H](C)C(=O)[O-] ZINC001599350254 998081398 /nfs/dbraw/zinc/08/13/98/998081398.db2.gz HVUKEOXMDMCOOI-MRXNPFEDSA-N -1 0 396.443 3.228 20 30 GGEDRM COc1cc(C#N)ccc1OCCCC(=O)N[C@]1(C(=O)[O-])CCCC(C)(C)C1 ZINC001599350360 998082311 /nfs/dbraw/zinc/08/23/11/998082311.db2.gz NMSPTCUEFPBRID-OAQYLSRUSA-N -1 0 388.464 3.266 20 30 GGEDRM COc1cc(C#N)ccc1OS(=O)(=O)c1cccc2c(C(=O)[O-])cccc21 ZINC001599350367 998082634 /nfs/dbraw/zinc/08/26/34/998082634.db2.gz NUYASOJRLSZFKW-UHFFFAOYSA-N -1 0 383.381 3.186 20 30 GGEDRM COc1cc(C#N)ccc1OCCCC(=O)N[C@@]1(C(=O)[O-])CCCC(C)(C)C1 ZINC001599350359 998082906 /nfs/dbraw/zinc/08/29/06/998082906.db2.gz NMSPTCUEFPBRID-NRFANRHFSA-N -1 0 388.464 3.266 20 30 GGEDRM COC(=O)c1cc(NC=C2C(=O)CC3(CCCCC3)CC2=O)cc(C(=O)[O-])c1 ZINC001598947873 998090478 /nfs/dbraw/zinc/09/04/78/998090478.db2.gz ZHUAOCBGEJHVKQ-UHFFFAOYSA-N -1 0 385.416 3.350 20 30 GGEDRM COC(=O)c1cc(NCc2cccc(C(=O)[O-])c2C#N)ccc1Br ZINC001598948373 998098858 /nfs/dbraw/zinc/09/88/58/998098858.db2.gz PQQRODRADWVVPB-UHFFFAOYSA-N -1 0 389.205 3.418 20 30 GGEDRM COC(=O)c1cc(OC(=O)[C@@H](Oc2ccccc2C#N)C(C)C)cc(C(=O)[O-])c1 ZINC001598949654 998124387 /nfs/dbraw/zinc/12/43/87/998124387.db2.gz CNFODAMPZWHUJF-SFHVURJKSA-N -1 0 397.383 3.052 20 30 GGEDRM COc1cc(C(=O)[O-])cc(NC(=O)C#Cc2ccc(C(F)(F)F)cc2)c1OC ZINC001599357119 998197447 /nfs/dbraw/zinc/19/74/47/998197447.db2.gz OKRJOHYKJKCMRS-UHFFFAOYSA-N -1 0 393.317 3.411 20 30 GGEDRM COc1cc(C(=O)[O-])c(NC(=O)C[C@H](CC#N)c2ccccc2)c(OC)c1OC ZINC001599357744 998206984 /nfs/dbraw/zinc/20/69/84/998206984.db2.gz WIKBGEAUDCBAIF-AWEZNQCLSA-N -1 0 398.415 3.437 20 30 GGEDRM COc1cc(S(=O)(=O)N(CC(C)C)c2ccc(C#N)cc2)ccc1C(=O)[O-] ZINC001599457283 998208699 /nfs/dbraw/zinc/20/86/99/998208699.db2.gz CUOCFXIVKVWWKP-UHFFFAOYSA-N -1 0 388.445 3.116 20 30 GGEDRM COCCOc1cc(C(=O)[O-])ccc1NC(=O)N(C)Cc1cc(C#N)cs1 ZINC001599254015 998281290 /nfs/dbraw/zinc/28/12/90/998281290.db2.gz XTQMDBVSMSFTCR-UHFFFAOYSA-N -1 0 389.433 3.007 20 30 GGEDRM COCCOc1cc(C(=O)[O-])ccc1NC(=O)c1cc2ccccc2n1CC#N ZINC001599256288 998312864 /nfs/dbraw/zinc/31/28/64/998312864.db2.gz OFBPHERBUSRYQR-UHFFFAOYSA-N -1 0 393.399 3.141 20 30 GGEDRM COCCOc1ccc(C#N)cc1N[C@@H](C)CC(=O)Nc1cccc(C(=O)[O-])c1 ZINC001599257796 998333975 /nfs/dbraw/zinc/33/39/75/998333975.db2.gz YFGWAJGUDWAWCQ-AWEZNQCLSA-N -1 0 397.431 3.111 20 30 GGEDRM COc1ccc(CNC(=O)NC(C)(C)Cc2ccc(C#N)cc2)cc1C(=O)[O-] ZINC001599569070 998335808 /nfs/dbraw/zinc/33/58/08/998335808.db2.gz ZVEGHXTYKGXBBS-UHFFFAOYSA-N -1 0 381.432 3.086 20 30 GGEDRM COc1ccc(CNC(=O)Nc2cc(C(=O)[O-])cc3cccnc32)cc1C#N ZINC001599569365 998340790 /nfs/dbraw/zinc/34/07/90/998340790.db2.gz GBFUDWLORHOYLD-UHFFFAOYSA-N -1 0 376.372 3.135 20 30 GGEDRM COc1ccc(CNC(=O)Nc2cc(Cl)c(F)c(C(=O)[O-])c2)cc1C#N ZINC001599569991 998347760 /nfs/dbraw/zinc/34/77/60/998347760.db2.gz NOOZFZPCRREFNI-UHFFFAOYSA-N -1 0 377.759 3.379 20 30 GGEDRM COc1ccc(C/N=C2/NN=C(c3[nH]c(C)c(C(=O)[O-])c3C)[C@H](C)S2)cc1 ZINC001599572385 998386419 /nfs/dbraw/zinc/38/64/19/998386419.db2.gz IKEPBDDEFNFUHK-LBPRGKRZSA-N -1 0 386.477 3.324 20 30 GGEDRM COc1ccc(Cl)c(N2CCN(Cc3cccc(C(=O)[O-])c3C#N)CC2)c1 ZINC001599576798 998457469 /nfs/dbraw/zinc/45/74/69/998457469.db2.gz JSXFVMORXLWEQS-UHFFFAOYSA-N -1 0 385.851 3.241 20 30 GGEDRM COc1ccc(-c2nc(S[C@@H](C(=O)[O-])c3ccc(C#N)cc3)n[nH]2)c(OC)c1 ZINC001599471868 998464856 /nfs/dbraw/zinc/46/48/56/998464856.db2.gz HEAUKUQNYCEDTC-MRXNPFEDSA-N -1 0 396.428 3.279 20 30 GGEDRM COC[C@H](C)N=c1scc(-c2cccc(C(=O)[O-])c2)n1N=Cc1cccnc1 ZINC001599161591 998467689 /nfs/dbraw/zinc/46/76/89/998467689.db2.gz NYFXUQODJSBLCS-AWEZNQCLSA-N -1 0 396.472 3.128 20 30 GGEDRM COc1ccc(-n2nc(C(=O)OCc3cccc(C(=O)[O-])c3C#N)cc2C)cc1 ZINC001599473029 998480074 /nfs/dbraw/zinc/48/00/74/998480074.db2.gz KXDGYTZYSURIPF-UHFFFAOYSA-N -1 0 391.383 3.116 20 30 GGEDRM COc1ccc(Br)c([C@H](C(=O)[O-])N(C)C(=O)C#CC(C)(C)C)c1 ZINC001599475471 998524846 /nfs/dbraw/zinc/52/48/46/998524846.db2.gz ZPFCBFZCFRQFRI-OAHLLOKOSA-N -1 0 382.254 3.091 20 30 GGEDRM COc1cc(C(=O)[O-])ccc1OCC(=O)N(CCC#N)c1cccc(C)c1C ZINC001599378718 998532580 /nfs/dbraw/zinc/53/25/80/998532580.db2.gz RRGZGZMIMOAJHT-UHFFFAOYSA-N -1 0 382.416 3.336 20 30 GGEDRM COC(=O)c1ccc([C@H]2CCCCN2Cc2cccc(C(=O)[O-])c2C#N)n1C ZINC001598972887 998550516 /nfs/dbraw/zinc/55/05/16/998550516.db2.gz FRSCTATUHDBELK-GOSISDBHSA-N -1 0 381.432 3.109 20 30 GGEDRM COC(=O)c1ccc(C=NOCc2cc(Br)ccc2C(=O)[O-])cc1 ZINC001598973863 998567365 /nfs/dbraw/zinc/56/73/65/998567365.db2.gz LVBJRCWDCGSLOF-UHFFFAOYSA-N -1 0 392.205 3.485 20 30 GGEDRM COc1ccc(C(=O)C[C@@H](C)C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC001599478562 998571731 /nfs/dbraw/zinc/57/17/31/998571731.db2.gz MKQYLHNVQPMILW-YJYMSZOUSA-N -1 0 381.384 3.145 20 30 GGEDRM COc1ccc(C(=O)C[C@H](C)C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC001599478561 998571804 /nfs/dbraw/zinc/57/18/04/998571804.db2.gz MKQYLHNVQPMILW-ORAYPTAESA-N -1 0 381.384 3.145 20 30 GGEDRM COc1ccc(C(=O)C[C@H](C)C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC001599478945 998577710 /nfs/dbraw/zinc/57/77/10/998577710.db2.gz XHOTVMTZYXZDGU-ORAYPTAESA-N -1 0 381.384 3.145 20 30 GGEDRM COC(=O)c1ccc(NC(=O)[C@H](Oc2ccccc2C#N)C(C)C)cc1C(=O)[O-] ZINC001598978809 998633036 /nfs/dbraw/zinc/63/30/36/998633036.db2.gz ZFOQBOMXIBBBCJ-GOSISDBHSA-N -1 0 396.399 3.085 20 30 GGEDRM COC(=O)c1ccc(NC(=O)Nc2ccccc2O[C@@H](C)C#N)cc1C(=O)[O-] ZINC001598981247 998659894 /nfs/dbraw/zinc/65/98/94/998659894.db2.gz NSDJYPMAIRUGAC-NSHDSACASA-N -1 0 383.360 3.106 20 30 GGEDRM COC(=O)c1ccc(NC[C@@H](Cc2cccc3ccccc32)C(=O)[O-])c(C#N)n1 ZINC001598984223 998685872 /nfs/dbraw/zinc/68/58/72/998685872.db2.gz IWIBJLCOBWZODK-MRXNPFEDSA-N -1 0 389.411 3.248 20 30 GGEDRM COC(=O)c1ccc(NCc2cc(C#N)ccc2Br)cc1C(=O)[O-] ZINC001598984395 998687153 /nfs/dbraw/zinc/68/71/53/998687153.db2.gz NHWRPILLYKYYMJ-UHFFFAOYSA-N -1 0 389.205 3.418 20 30 GGEDRM COC(=O)c1cccc(/C=C2\COC/C(=C\c3cccc(C(=O)[O-])c3)C2=O)c1 ZINC001598992875 998753546 /nfs/dbraw/zinc/75/35/46/998753546.db2.gz KYBPEYITCLEYKQ-XOBNHNQQSA-N -1 0 378.380 3.238 20 30 GGEDRM COC(=O)c1cccc(COc2ccn(Cc3ccccc3)c2C(=O)[O-])c1C#N ZINC001598994273 998764939 /nfs/dbraw/zinc/76/49/39/998764939.db2.gz NOKJCXUNNDRYTA-UHFFFAOYSA-N -1 0 390.395 3.472 20 30 GGEDRM COC(=O)c1cccc(CN(C)[C@H](C(=O)[O-])c2cc(F)c(F)c(F)c2)c1C#N ZINC001598995772 998778417 /nfs/dbraw/zinc/77/84/17/998778417.db2.gz MDMVGVHCXHEFLI-KRWDZBQOSA-N -1 0 392.333 3.020 20 30 GGEDRM COC(=O)c1coc(/C=C2/CN(C(C)C)C/C(=C/c3cc(C(=O)[O-])co3)C2=O)c1 ZINC001599014610 998928008 /nfs/dbraw/zinc/92/80/08/998928008.db2.gz RORYNAUPPGDNNW-JWZUQALGSA-N -1 0 399.399 3.118 20 30 GGEDRM C[C@@H]1C[C@H]1[C@@H](NC(=O)N1CCC(C#N)(C(=O)[O-])CC1)c1ccc(Cl)cc1 ZINC001594275638 999066737 /nfs/dbraw/zinc/06/67/37/999066737.db2.gz VFTNDMIWFBYERT-WQVCFCJDSA-N -1 0 375.856 3.437 20 30 GGEDRM C[C@H]1CC[C@H](CNC(=O)Nc2cccc(C#Cc3cccc(C(=O)[O-])c3)c2)O1 ZINC001594309629 999195701 /nfs/dbraw/zinc/19/57/01/999195701.db2.gz ZLUACIMMBVPNBA-MGPUTAFESA-N -1 0 378.428 3.474 20 30 GGEDRM C[C@H]1CC[C@@](NC(=O)c2cc(C#N)cc(N(C)C)c2)(C(=O)[O-])c2ccccc21 ZINC001594315313 999221308 /nfs/dbraw/zinc/22/13/08/999221308.db2.gz VZOKCPBZNYVCLB-FPTDNZKUSA-N -1 0 377.444 3.231 20 30 GGEDRM C[C@H]1CC[C@H](c2ccccc2)N(S(=O)(=O)c2ccc(C#N)cc2C(=O)[O-])C1 ZINC001594330221 999269208 /nfs/dbraw/zinc/26/92/08/999269208.db2.gz LWVONDMKTLPJNT-KBXCAEBGSA-N -1 0 384.457 3.418 20 30 GGEDRM C[C@H]1CCCN(c2cc(C(=O)O[C@H](C(=O)[O-])c3cccc(C#N)c3)ccn2)C1 ZINC001594388187 999469512 /nfs/dbraw/zinc/46/95/12/999469512.db2.gz GUZIJCYLZNDTMA-LIRRHRJNSA-N -1 0 379.416 3.172 20 30 GGEDRM C[C@@H]1CCCc2ccccc2[C@H]1NS(=O)(=O)c1ccc(C#N)cc1C(=O)[O-] ZINC001594389526 999475927 /nfs/dbraw/zinc/47/59/27/999475927.db2.gz ZWWBJGJDCCLXDT-YJYMSZOUSA-N -1 0 384.457 3.248 20 30 GGEDRM C[C@@H]1CCCc2ccccc2[C@@H]1NS(=O)(=O)c1ccc(C#N)cc1C(=O)[O-] ZINC001594389511 999476077 /nfs/dbraw/zinc/47/60/77/999476077.db2.gz ZWWBJGJDCCLXDT-BFUOFWGJSA-N -1 0 384.457 3.248 20 30 GGEDRM C[C@H]1CCN(C(=O)Nc2cccc(C#Cc3cccc(C(=O)[O-])c3)c2)C[C@@H]1O ZINC001594405156 999516625 /nfs/dbraw/zinc/51/66/25/999516625.db2.gz JTGJIRKUABICMV-YWZLYKJASA-N -1 0 378.428 3.019 20 30 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ZINC000821324458 598206344 /nfs/dbraw/zinc/20/63/44/598206344.db2.gz FMNXNEMFJIVVNK-LJQANCHMSA-N -1 0 379.416 3.413 20 30 GGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000819833124 598221960 /nfs/dbraw/zinc/22/19/60/598221960.db2.gz FENPGWAKEKQRPQ-HTAPYJJXSA-N -1 0 375.428 3.421 20 30 GGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000819833128 598222096 /nfs/dbraw/zinc/22/20/96/598222096.db2.gz FENPGWAKEKQRPQ-VGSWGCGISA-N -1 0 375.428 3.421 20 30 GGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)NCc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000819849111 598222550 /nfs/dbraw/zinc/22/25/50/598222550.db2.gz XAVNFBBLVJNDIJ-QFIPXVFZSA-N -1 0 388.427 3.160 20 30 GGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ccnn1Cc1ccc(Cl)cc1Cl ZINC000819856776 598222903 /nfs/dbraw/zinc/22/29/03/598222903.db2.gz MWPYNVSRAWMLDL-INIZCTEOSA-N -1 0 381.219 3.181 20 30 GGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccc2[nH]c(-c3cc(F)ccc3F)nc2c1 ZINC000819856704 598224689 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IGADIERLFPFSQU-HXUWFJFHSA-N -1 0 387.436 3.317 20 30 GGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1cccc(C[S@@](=O)Cc2ccccc2)c1 ZINC000819856539 598227827 /nfs/dbraw/zinc/22/78/27/598227827.db2.gz JJZSESGUZVUZOZ-HRFSGMKKSA-N -1 0 384.457 3.079 20 30 GGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1cccc(C[S@](=O)Cc2ccccc2)c1 ZINC000819856542 598227861 /nfs/dbraw/zinc/22/78/61/598227861.db2.gz JJZSESGUZVUZOZ-NFQMXDRXSA-N -1 0 384.457 3.079 20 30 GGEDRM COc1ccc(NC(=O)[C@](C)(C#N)CC(=O)[O-])cc1NC(=O)C1CCCCC1 ZINC000820841242 598227939 /nfs/dbraw/zinc/22/79/39/598227939.db2.gz LFJFFONFEVRYAF-FQEVSTJZSA-N -1 0 387.436 3.157 20 30 GGEDRM C[C@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)[C@](C)(C#N)CC(=O)[O-])cc1 ZINC000820129881 598229051 /nfs/dbraw/zinc/22/90/51/598229051.db2.gz ROEADCPRUDIALT-BUXKBTBVSA-N -1 0 375.425 3.215 20 30 GGEDRM CC(C)Cc1nc(-c2nnn[n-]2)c(N=NCc2cccc(OCCCC#N)c2)o1 ZINC000735851336 598362852 /nfs/dbraw/zinc/36/28/52/598362852.db2.gz QAMVMKPEASIZOY-UHFFFAOYSA-N -1 0 394.439 3.182 20 30 GGEDRM CC(C)Cc1nc(-c2nnn[n-]2)c(N=NC(C)c2cc(F)c(F)c(F)c2)o1 ZINC000735451111 598417544 /nfs/dbraw/zinc/41/75/44/598417544.db2.gz PBHILEHCZSEAPT-UHFFFAOYSA-N -1 0 379.346 3.307 20 30 GGEDRM N#CCn1c(C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cc2ccccc21 ZINC000739092912 599724365 /nfs/dbraw/zinc/72/43/65/599724365.db2.gz XFFBTPZQAIVJRZ-GOSISDBHSA-N -1 0 386.411 3.072 20 30 GGEDRM C#CCN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000736080811 599729839 /nfs/dbraw/zinc/72/98/39/599729839.db2.gz YGCJDCVFCVSHPH-UHFFFAOYSA-N -1 0 381.812 3.001 20 30 GGEDRM C=CCN(Cc1cccc(C#N)c1)S(=O)(=O)c1cc(Cl)ccc1C(=O)[O-] ZINC000736108611 599729894 /nfs/dbraw/zinc/72/98/94/599729894.db2.gz JKDDLLOIBKMBAI-UHFFFAOYSA-N -1 0 390.848 3.287 20 30 GGEDRM Cc1ccc(C(=O)C2=C(C(=O)[O-])NC(=S)N[C@@H]2c2cccc(F)c2F)cc1 ZINC000738501994 599735427 /nfs/dbraw/zinc/73/54/27/599735427.db2.gz CSIYJNBKEHQMSL-OAHLLOKOSA-N -1 0 388.395 3.014 20 30 GGEDRM Cc1ccc(C(=O)C2=C(C(=O)[O-])NC(=S)N[C@H]2c2cccc(F)c2F)cc1 ZINC000738501992 599735472 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20 30 GGEDRM Cc1noc([C@@H](C)NC(=O)Nc2cccc(C#Cc3cccc(C(=O)[O-])c3)c2)n1 ZINC000738941900 599756915 /nfs/dbraw/zinc/75/69/15/599756915.db2.gz WNUXBWOWCDLUQT-CYBMUJFWSA-N -1 0 390.399 3.359 20 30 GGEDRM Cc1ccc(N(CCC#N)C(=O)COC(=O)c2ccccc2C(=O)[O-])cc1C ZINC000738608280 599788402 /nfs/dbraw/zinc/78/84/02/599788402.db2.gz JTXFKWOZMKWSGI-UHFFFAOYSA-N -1 0 380.400 3.105 20 30 GGEDRM C=CCSCCNC(=O)N[C@@H](CC(=O)[O-])c1cccc(Br)c1 ZINC000736114179 599791547 /nfs/dbraw/zinc/79/15/47/599791547.db2.gz JDARSNPVXBCYOS-ZDUSSCGKSA-N -1 0 387.299 3.183 20 30 GGEDRM Cc1[nH]c(C(=O)[C@H](C)N2CCC(Oc3cccc(C#N)c3)CC2)c(C)c1C(=O)[O-] ZINC000738237234 599794555 /nfs/dbraw/zinc/79/45/55/599794555.db2.gz SAISFFPXEFKUFS-HNNXBMFYSA-N -1 0 395.459 3.316 20 30 GGEDRM N#Cc1ccc(OCc2ccc(C(=O)NCc3ccc(C(=O)[O-])cc3)o2)cc1 ZINC000738430524 599795707 /nfs/dbraw/zinc/79/57/07/599795707.db2.gz HBOCJQVJGOUVKB-UHFFFAOYSA-N -1 0 376.368 3.358 20 30 GGEDRM N#Cc1ccc(OCc2ccc(C(=O)N[C@@H](C(=O)[O-])c3cccs3)o2)cc1 ZINC000739129211 599797736 /nfs/dbraw/zinc/79/77/36/599797736.db2.gz REZDSWZOCSYPKX-QGZVFWFLSA-N -1 0 382.397 3.347 20 30 GGEDRM N#Cc1ccc(OCc2ccc(C(=O)N[C@H](C(=O)[O-])c3ccccc3)o2)cc1 ZINC000739128669 599797930 /nfs/dbraw/zinc/79/79/30/599797930.db2.gz GNMDHCXYGJSIPB-IBGZPJMESA-N -1 0 376.368 3.286 20 30 GGEDRM N#Cc1ccc(OC(F)F)c(NC(=O)Cn2cc(C(=O)[O-])c3ccccc32)c1 ZINC000739120731 599800674 /nfs/dbraw/zinc/80/06/74/599800674.db2.gz CVRPEJGDJLJGQA-UHFFFAOYSA-N -1 0 385.326 3.451 20 30 GGEDRM N#Cc1cccc(OCc2ccoc2C(=O)NCc2ccc(C(=O)[O-])cc2)c1 ZINC000738434453 599807474 /nfs/dbraw/zinc/80/74/74/599807474.db2.gz ZMXCDRZMWOZWFH-UHFFFAOYSA-N -1 0 376.368 3.358 20 30 GGEDRM N#Cc1cccc(OCc2ccoc2C(=O)NCCc2ccc(C(=O)[O-])cc2)c1 ZINC000739139125 599809529 /nfs/dbraw/zinc/80/95/29/599809529.db2.gz FKBSBHOQRCZRLT-UHFFFAOYSA-N -1 0 390.395 3.401 20 30 GGEDRM N#Cc1cccc(OC2CCN(C(=O)Nc3cc(C(=O)[O-])ccc3F)CC2)c1 ZINC000739133152 599817202 /nfs/dbraw/zinc/81/72/02/599817202.db2.gz DXVJTKBVMILZEI-UHFFFAOYSA-N -1 0 383.379 3.471 20 30 GGEDRM Cc1[nH]c2ccccc2c1C(=O)C(C#N)=C([O-])c1ccc(-c2nn[nH]n2)cc1C ZINC000826243776 607397898 /nfs/dbraw/zinc/39/78/98/607397898.db2.gz VHTCACNLGSRRCX-MRXNPFEDSA-N -1 0 384.399 3.170 20 30 GGEDRM COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000737797779 599825184 /nfs/dbraw/zinc/82/51/84/599825184.db2.gz BUSWGKSFEUYJID-UHFFFAOYSA-N -1 0 381.432 3.256 20 30 GGEDRM O=C([O-])COc1ccc(C(=O)C=Cc2c[nH]nc2-c2ccc3c(c2)OCO3)cc1 ZINC000739819787 599831487 /nfs/dbraw/zinc/83/14/87/599831487.db2.gz YTLYFUVHOAZWBK-XVNBXDOJSA-N -1 0 392.367 3.165 20 30 GGEDRM COC(=O)c1ccc(C(=O)[O-])c(NC(=O)[C@@H](C)Sc2ccc(C#N)cc2)c1 ZINC000737681767 599832474 /nfs/dbraw/zinc/83/24/74/599832474.db2.gz AFJCGTYMEZWVFR-LLVKDONJSA-N -1 0 384.413 3.162 20 30 GGEDRM COC(=O)c1ccc(C(=O)[O-])c(NC(=O)[C@H](C)Sc2ccc(C#N)cc2)c1 ZINC000737681777 599832541 /nfs/dbraw/zinc/83/25/41/599832541.db2.gz AFJCGTYMEZWVFR-NSHDSACASA-N -1 0 384.413 3.162 20 30 GGEDRM Cc1nn(-c2ccc(C(=O)N[C@@H](C#N)CC(C)C)cc2)c(C)c1CCC(=O)[O-] ZINC000738895871 599838004 /nfs/dbraw/zinc/83/80/04/599838004.db2.gz IOWKWPBFCSNQPG-QGZVFWFLSA-N -1 0 382.464 3.174 20 30 GGEDRM CCOc1cc(C#N)cc(Br)c1OC(=O)CCCN(C)C(=O)[O-] ZINC000737179442 599839460 /nfs/dbraw/zinc/83/94/60/599839460.db2.gz KDJKGDHBLYBYCV-UHFFFAOYSA-N -1 0 385.214 3.015 20 30 GGEDRM COc1cc(/C=C/C(=O)[O-])ccc1OC(=O)c1cc2ccccc2n1CC#N ZINC000737879801 599840958 /nfs/dbraw/zinc/84/09/58/599840958.db2.gz VAWJFUBLDUOSQM-VQHVLOKHSA-N -1 0 376.368 3.490 20 30 GGEDRM N#Cc1cccc(COc2ccc(NC(=S)NCCCC(=O)[O-])cc2F)c1 ZINC000739133803 599843380 /nfs/dbraw/zinc/84/33/80/599843380.db2.gz PJRRUESNVSGCFV-UHFFFAOYSA-N -1 0 387.436 3.428 20 30 GGEDRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)[C@@H](C)Oc2ccccc2C#N)cc1 ZINC000262081934 599845841 /nfs/dbraw/zinc/84/58/41/599845841.db2.gz DTZKYLMFDWORRS-DYVFJYSZSA-N -1 0 384.457 3.380 20 30 GGEDRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)[C@H](C)Oc2ccccc2C#N)cc1 ZINC000262081938 599846795 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3.156 20 30 GGEDRM N#Cc1ccccc1OCc1ccc(C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])o1 ZINC000739147389 599859500 /nfs/dbraw/zinc/85/95/00/599859500.db2.gz SSNFMOYMTPKRBX-GOSISDBHSA-N -1 0 390.395 3.156 20 30 GGEDRM N#Cc1ccc(NC(=O)CN(CC(=O)[O-])Cc2ccc(F)c(F)c2)cc1Cl ZINC000739122193 599866420 /nfs/dbraw/zinc/86/64/20/599866420.db2.gz AKYSRWBXVMAYJP-UHFFFAOYSA-N -1 0 393.777 3.015 20 30 GGEDRM N#Cc1cccc(CS(=O)(=O)NCc2c3ccccc3sc2C(=O)[O-])c1 ZINC000739134003 599868347 /nfs/dbraw/zinc/86/83/47/599868347.db2.gz SJTVHXFUJAXUEZ-UHFFFAOYSA-N -1 0 386.454 3.091 20 30 GGEDRM C[C@H](OC(=O)c1ccccc1NC(=O)[O-])C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000736695570 599869602 /nfs/dbraw/zinc/86/96/02/599869602.db2.gz CYXSUTBORCZRPC-JTQLQIEISA-N -1 0 399.428 3.382 20 30 GGEDRM Cc1[nH]c(C(=O)[C@@H](C)OC(=O)c2cc3ccccc3n2CC#N)c(C)c1C(=O)[O-] ZINC000738236584 599871146 /nfs/dbraw/zinc/87/11/46/599871146.db2.gz MSJQYTGPOYWKDJ-CYBMUJFWSA-N -1 0 393.399 3.236 20 30 GGEDRM C[C@H](OC(=O)CCCN(C)C(=O)[O-])C(=O)/C=C1\N(C)c2ccccc2C1(C)C ZINC000736684320 599873274 /nfs/dbraw/zinc/87/32/74/599873274.db2.gz MMIRBMMQXUHMAP-RVAQLADHSA-N -1 0 388.464 3.189 20 30 GGEDRM C=C(C)CN(CC)S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Br ZINC000736095291 599875079 /nfs/dbraw/zinc/87/50/79/599875079.db2.gz OXPGKJIGKQUZMY-UHFFFAOYSA-N -1 0 396.690 3.387 20 30 GGEDRM Cc1cc(C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])c(C)n1-c1ccc(C#N)cc1 ZINC000738204491 599882087 /nfs/dbraw/zinc/88/20/87/599882087.db2.gz JTDHJQFCFJCUNZ-NRFANRHFSA-N -1 0 387.439 3.392 20 30 GGEDRM N#Cc1ccc(NC(=S)NCCOc2ccc(C(=O)[O-])cc2)cc1Cl ZINC000739121862 599887433 /nfs/dbraw/zinc/88/74/33/599887433.db2.gz XNCBLJMAVUUWSP-UHFFFAOYSA-N -1 0 375.837 3.275 20 30 GGEDRM N#Cc1cccc(COc2ccc(NC(=O)N3CC[C@H](C(=O)[O-])C3)cc2F)c1 ZINC000739134254 599887657 /nfs/dbraw/zinc/88/76/57/599887657.db2.gz ZLNBVSHAKRDSNK-HNNXBMFYSA-N -1 0 383.379 3.215 20 30 GGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)c1cncc(-c2cnn(C)c2)c1 ZINC000736115070 599890707 /nfs/dbraw/zinc/89/07/07/599890707.db2.gz 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C[C@@H]1CCC[C@H]1NC(=O)C(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC000736777811 599908486 /nfs/dbraw/zinc/90/84/86/599908486.db2.gz DNRRXZYRQMQVKV-FOIQADDNSA-N -1 0 390.439 3.028 20 30 GGEDRM Cc1cccc(N(CCC#N)C(=O)COc2ccc(C(=O)[O-])cc2C=O)c1C ZINC000738724315 599909577 /nfs/dbraw/zinc/90/95/77/599909577.db2.gz IKSFULRAVKAJIV-UHFFFAOYSA-N -1 0 380.400 3.140 20 30 GGEDRM Cc1cc(C)cc(N(CCC#N)C(=O)COc2ccc(C(=O)[O-])cc2C=O)c1 ZINC000738365198 599911593 /nfs/dbraw/zinc/91/15/93/599911593.db2.gz XRELDBVHOLPPHI-UHFFFAOYSA-N -1 0 380.400 3.140 20 30 GGEDRM CN(CCCC(=O)[C@H](C#N)C(=O)Nc1ccc(SC(F)F)cc1)C(=O)[O-] ZINC000737415253 599911827 /nfs/dbraw/zinc/91/18/27/599911827.db2.gz IDNLWGRWPRBVNJ-LBPRGKRZSA-N -1 0 385.392 3.039 20 30 GGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)Cc1cn2cccc(C)c2n1 ZINC000736113837 599912127 /nfs/dbraw/zinc/91/21/27/599912127.db2.gz BSBVKTYUJRMUDJ-UHFFFAOYSA-N -1 0 380.400 3.226 20 30 GGEDRM CC(=O)c1[nH]c(CC(=O)N[C@@H](C#N)c2ccc(C(C)(C)C)cc2)c(C(=O)[O-])c1C ZINC000736184057 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AFTALRBMOJKAGL-UHFFFAOYSA-N -1 0 396.403 3.500 20 30 GGEDRM COc1ccc(/C=C2\CN(CC(=O)[O-])C/C(=C/c3ccc(OC)cc3)C2=O)cc1 ZINC000737987718 599926173 /nfs/dbraw/zinc/92/61/73/599926173.db2.gz YVSYNFUJGICQQT-VHVWWYSBSA-N -1 0 393.439 3.140 20 30 GGEDRM CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC[C@H](Cc1cccc(F)c1)C(=O)[O-] ZINC000736389330 599942304 /nfs/dbraw/zinc/94/23/04/599942304.db2.gz AQALCYOBZJZQRB-PXNSSMCTSA-N -1 0 398.434 3.160 20 30 GGEDRM N#CCCCOc1cccc(/C=C2\SC(=S)N(CCCC(=O)[O-])C2=O)c1 ZINC000726788070 599943368 /nfs/dbraw/zinc/94/33/68/599943368.db2.gz XTGBJLBXGQLLFS-QINSGFPZSA-N -1 0 390.486 3.435 20 30 GGEDRM Cc1oc(-n2cccc2)c(C#N)c1C(=O)NC[C@H](Cc1cccc(F)c1)C(=O)[O-] ZINC000738958754 599946605 /nfs/dbraw/zinc/94/66/05/599946605.db2.gz ZNDGUVHUSRRQNI-HNNXBMFYSA-N -1 0 395.390 3.063 20 30 GGEDRM C=CCSc1ccccc1NC(=O)CN1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000736114444 599966267 /nfs/dbraw/zinc/96/62/67/599966267.db2.gz LITDCXRWOUNTMG-GOSISDBHSA-N -1 0 382.485 3.415 20 30 GGEDRM N#Cc1ccc(CSCC(=O)N[C@@H](C(=O)[O-])c2cc(F)ccc2F)cc1 ZINC000739117178 599972452 /nfs/dbraw/zinc/97/24/52/599972452.db2.gz BDJGSYWPZPGRIF-QGZVFWFLSA-N -1 0 376.384 3.012 20 30 GGEDRM CC1=C(C(=O)[O-])[C@@H](c2cccc(OCc3ccccc3C#N)c2)NC(=O)N1C ZINC000736752904 599974042 /nfs/dbraw/zinc/97/40/42/599974042.db2.gz ZLFBHSYIPGFWBT-LJQANCHMSA-N -1 0 377.400 3.192 20 30 GGEDRM C[C@H](CC#N)Sc1ccccc1NS(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC000736544725 599974246 /nfs/dbraw/zinc/97/42/46/599974246.db2.gz KECCXRQAARUZIG-LLVKDONJSA-N -1 0 392.458 3.285 20 30 GGEDRM CC1=C(C(=O)[O-])[C@H](c2cccc(OCC#N)c2)NC(=O)N1Cc1ccccc1 ZINC000736749282 599982535 /nfs/dbraw/zinc/98/25/35/599982535.db2.gz AJLBCAMBRPSBQY-IBGZPJMESA-N -1 0 377.400 3.214 20 30 GGEDRM C=CCN1C(=O)N[C@@H](c2csc(-c3ccc(OC)cc3)n2)C(C(=O)[O-])=C1C ZINC000736106778 599983373 /nfs/dbraw/zinc/98/33/73/599983373.db2.gz LFYPNVGQMYQKKJ-INIZCTEOSA-N -1 0 385.445 3.430 20 30 GGEDRM C=CCN1C(=O)N[C@H](c2csc(-c3cccc(OC)c3)n2)C(C(=O)[O-])=C1C ZINC000736106979 599983516 /nfs/dbraw/zinc/98/35/16/599983516.db2.gz ODLAWEOKRFLFRB-MRXNPFEDSA-N -1 0 385.445 3.430 20 30 GGEDRM CC1=C(C(=O)[O-])[C@H](c2cccc(OCC#N)c2)NC(=O)N1Cc1cccs1 ZINC000736752639 599987046 /nfs/dbraw/zinc/98/70/46/599987046.db2.gz YOFWGGJSCHRMGH-KRWDZBQOSA-N -1 0 383.429 3.276 20 30 GGEDRM CC(=O)C1=C(C(=O)[O-])N(CC2CC2)C(=O)N[C@H]1c1cnc(-c2ccccc2)s1 ZINC000736125179 599987425 /nfs/dbraw/zinc/98/74/25/599987425.db2.gz GQWVHWNSFFDKBX-INIZCTEOSA-N -1 0 397.456 3.214 20 30 GGEDRM Cc1ccc(C(=O)C2=C(C(=O)[O-])N(CC3CC3)C(=O)N[C@H]2c2cscn2)cc1 ZINC000738503496 599988719 /nfs/dbraw/zinc/98/87/19/599988719.db2.gz PQWIMPQQSBKGBX-INIZCTEOSA-N -1 0 397.456 3.149 20 30 GGEDRM O=C([O-])C(=O)C1=C(c2ccc(Cl)cc2)NC(=S)N[C@H]1c1cccc(F)c1 ZINC000738516196 599992347 /nfs/dbraw/zinc/99/23/47/599992347.db2.gz DFLCHLIYFNQFAJ-HNNXBMFYSA-N -1 0 390.823 3.063 20 30 GGEDRM Cc1ccc([C@H]2NC(=S)NC(c3ccc(Cl)cc3)=C2C(=O)C(=O)[O-])cc1 ZINC000738268154 599992376 /nfs/dbraw/zinc/99/23/76/599992376.db2.gz 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O=C([O-])C(=O)C1=C(c2ccc(Cl)s2)NC(=S)N[C@H]1c1ccccc1F ZINC000739497430 599993604 /nfs/dbraw/zinc/99/36/04/599993604.db2.gz CUSUHXIYNSVQCS-LBPRGKRZSA-N -1 0 396.852 3.124 20 30 GGEDRM O=C([O-])C(=O)C1=C(c2ccccc2F)NC(=S)N[C@@H]1c1cccc(Cl)c1 ZINC000739497251 599993657 /nfs/dbraw/zinc/99/36/57/599993657.db2.gz AMUSSZHXJWTKIW-CQSZACIVSA-N -1 0 390.823 3.063 20 30 GGEDRM N#Cc1ccc(NC(=O)NC[C@@H](Cc2cccc(F)c2)C(=O)[O-])cc1Cl ZINC000739121173 599994386 /nfs/dbraw/zinc/99/43/86/599994386.db2.gz LRXCOEADBGKNJQ-CYBMUJFWSA-N -1 0 375.787 3.416 20 30 GGEDRM Cc1[nH]c(C(=O)[C@@H](C)OC(=O)CSc2ccc(C#N)cc2)c(C)c1C(=O)[O-] ZINC000738237967 600003254 /nfs/dbraw/zinc/00/32/54/600003254.db2.gz YGYQCBGGRORVNR-GFCCVEGCSA-N -1 0 386.429 3.108 20 30 GGEDRM Cc1nn(CCC(=O)[O-])c(C)c1C=NNc1ccc(Br)c(C)c1 ZINC000738462783 600005946 /nfs/dbraw/zinc/00/59/46/600005946.db2.gz XWTCEOTYKQYESH-UHFFFAOYSA-N -1 0 379.258 3.492 20 30 GGEDRM N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCO[C@H](C(=O)[O-])C2)cc1Cl ZINC000591352902 600008197 /nfs/dbraw/zinc/00/81/97/600008197.db2.gz PBQZIWQRFPDNCN-WMZOPIPTSA-N -1 0 399.834 3.313 20 30 GGEDRM Cc1cc(NC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)ccc1C(=O)[O-] ZINC000738437469 600013351 /nfs/dbraw/zinc/01/33/51/600013351.db2.gz LLFDFGGZUNNNQF-UHFFFAOYSA-N -1 0 382.395 3.058 20 30 GGEDRM Cc1cc(NC(=O)N2CCN(c3cccc(F)c3C#N)CC2)ccc1C(=O)[O-] ZINC000738437821 600013433 /nfs/dbraw/zinc/01/34/33/600013433.db2.gz RFFGPWBYZQZOHB-UHFFFAOYSA-N -1 0 382.395 3.058 20 30 GGEDRM CC(=O)C1=C(C(=O)[O-])N(Cc2ccccc2)C(=O)N[C@@H]1c1ccc(C)c(F)c1 ZINC000736127668 600017004 /nfs/dbraw/zinc/01/70/04/600017004.db2.gz WQGYZRAQZHVKGL-GOSISDBHSA-N -1 0 382.391 3.328 20 30 GGEDRM Cc1ccc([C@@H]2NC(=O)N(CC3CC3)C(C(=O)[O-])=C2C(=O)c2ccco2)cc1F ZINC000738582351 600017612 /nfs/dbraw/zinc/01/76/12/600017612.db2.gz ILJCOLYFVCGXRV-KRWDZBQOSA-N -1 0 398.390 3.425 20 30 GGEDRM Cc1ccc(C(=O)C2=C(C(=O)[O-])NC(=S)N[C@@H]2c2ccc(C)c(F)c2)cc1 ZINC000738504284 600017709 /nfs/dbraw/zinc/01/77/09/600017709.db2.gz WKGQKANUBUIGAI-MRXNPFEDSA-N 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600056680 /nfs/dbraw/zinc/05/66/80/600056680.db2.gz LKVCIJIETIUNOB-ZDUSSCGKSA-N -1 0 387.779 3.400 20 30 GGEDRM CN(c1cccc(C#N)c1)S(=O)(=O)c1cc(C(F)(F)F)ccc1C(=O)[O-] ZINC000737506002 600057278 /nfs/dbraw/zinc/05/72/78/600057278.db2.gz HVTKPJOZXFHMAK-UHFFFAOYSA-N -1 0 384.335 3.100 20 30 GGEDRM C#Cc1ccc(C(=O)N(Cc2ccoc2C(=O)[O-])[C@@H](C)c2ccccn2)nc1 ZINC000736092438 600062853 /nfs/dbraw/zinc/06/28/53/600062853.db2.gz GKIQGCKKDKLPFB-AWEZNQCLSA-N -1 0 375.384 3.153 20 30 GGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)c1ccc(Br)cn1 ZINC000736115201 600063420 /nfs/dbraw/zinc/06/34/20/600063420.db2.gz YDFDFYADSSRAOP-UHFFFAOYSA-N -1 0 392.205 3.499 20 30 GGEDRM CCc1[nH]c(C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)c(C)c1C(=O)[O-] ZINC000737242666 600064189 /nfs/dbraw/zinc/06/41/89/600064189.db2.gz UBKYQHXSDKHMHQ-UHFFFAOYSA-N -1 0 381.432 3.139 20 30 GGEDRM N#C[C@@H](NC(=O)CCc1ccc(C(=O)[O-])cc1)c1cccc(Br)c1 ZINC000739074968 600066952 /nfs/dbraw/zinc/06/69/52/600066952.db2.gz OETPTCVZWBFVBV-MRXNPFEDSA-N -1 0 387.233 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GGEDRM C=CCN(Cc1ccccc1F)C(=O)C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000736108727 600311705 /nfs/dbraw/zinc/31/17/05/600311705.db2.gz QQSSSXPXPILOJD-UHFFFAOYSA-N -1 0 390.798 3.331 20 30 GGEDRM CC[C@@H](C#N)Oc1cccc(CNC(=O)NCCc2ccc(C(=O)[O-])cc2)c1 ZINC000736848840 600317432 /nfs/dbraw/zinc/31/74/32/600317432.db2.gz NWHJRQIVZJDPHP-SFHVURJKSA-N -1 0 381.432 3.108 20 30 GGEDRM N#Cc1cccc(Oc2ccc(NC(=O)N3CCC4(C[C@H]4C(=O)[O-])CC3)cn2)c1 ZINC000739140693 600335864 /nfs/dbraw/zinc/33/58/64/600335864.db2.gz YODGMNMQQKMNLX-KRWDZBQOSA-N -1 0 392.415 3.464 20 30 GGEDRM C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)cc1 ZINC000736108655 600337491 /nfs/dbraw/zinc/33/74/91/600337491.db2.gz LWRKSPFDAAADNQ-SFHVURJKSA-N -1 0 397.475 3.219 20 30 GGEDRM C=CCNC(=O)c1ccc(NC(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)cc1 ZINC000736105694 600337772 /nfs/dbraw/zinc/33/77/72/600337772.db2.gz FJHUCKORUBWVEJ-UHFFFAOYSA-N -1 0 382.420 3.356 20 30 GGEDRM C#Cc1cccc(N(C(C)C)S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)c1 ZINC000736090769 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ZINC000833064574 601283304 /nfs/dbraw/zinc/28/33/04/601283304.db2.gz LCPPNPNRXIHWRZ-FQEVSTJZSA-N -1 0 387.395 3.353 20 30 GGEDRM N#Cc1cccc([C@@H](Nc2ccc(I)cc2)C(=O)[O-])c1 ZINC000833075655 601297956 /nfs/dbraw/zinc/29/79/56/601297956.db2.gz MWXBFPRQXRMYSQ-CQSZACIVSA-N -1 0 378.169 3.401 20 30 GGEDRM N#Cc1cccc([C@@H](Nc2cccc(I)c2)C(=O)[O-])c1 ZINC000833074943 601298021 /nfs/dbraw/zinc/29/80/21/601298021.db2.gz GUFNWIHFAMWRAL-CQSZACIVSA-N -1 0 378.169 3.401 20 30 GGEDRM C[C@H](C(=O)Nc1cccc(N[C@@H](C(=O)[O-])c2cccc(C#N)c2)c1)n1cccn1 ZINC000826022159 601300353 /nfs/dbraw/zinc/30/03/53/601300353.db2.gz XNNKIXBYRDMLDA-AUUYWEPGSA-N -1 0 389.415 3.192 20 30 GGEDRM COc1ccc(N[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1N1CCCCC1=O ZINC000832407226 601301171 /nfs/dbraw/zinc/30/11/71/601301171.db2.gz BVEAJUZPQKYHTR-FQEVSTJZSA-N -1 0 379.416 3.322 20 30 GGEDRM COc1cccc(-c2noc([C@@H](C)N[C@@H](C(=O)[O-])c3cccc(C#N)c3)n2)c1 ZINC000832515715 601307301 /nfs/dbraw/zinc/30/73/01/601307301.db2.gz SMOBOFMZTRCYFF-SJKOYZFVSA-N -1 0 378.388 3.093 20 30 GGEDRM C[C@H]1CN([C@H](C(=O)[O-])c2cccc(C#N)c2)CCN1c1nc2ccccc2o1 ZINC000828413704 601314888 /nfs/dbraw/zinc/31/48/88/601314888.db2.gz UIEJHIWCGFOSCC-LIRRHRJNSA-N -1 0 376.416 3.036 20 30 GGEDRM Cn1cc(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)cc1C(=O)[O-] ZINC000833051198 601317617 /nfs/dbraw/zinc/31/76/17/601317617.db2.gz CNGAEIIGOGKUBT-UHFFFAOYSA-N -1 0 375.384 3.426 20 30 GGEDRM N#CCc1ccc(Oc2ccc(C(=O)NC3(CC(=O)[O-])CCOCC3)cc2)cc1 ZINC000833068883 601326989 /nfs/dbraw/zinc/32/69/89/601326989.db2.gz GOGORTDQBBGYMM-UHFFFAOYSA-N -1 0 394.427 3.299 20 30 GGEDRM N#Cc1ccccc1Sc1ccc(C(=O)NC2(CC(=O)[O-])CCOCC2)cc1 ZINC000833076540 601327008 /nfs/dbraw/zinc/32/70/08/601327008.db2.gz IKZAWRXOYSWBNM-UHFFFAOYSA-N -1 0 396.468 3.463 20 30 GGEDRM Cc1cc(C(=O)[O-])cc(S(=O)(=O)N(CCC#N)c2ccc(F)cc2)c1C ZINC000517638274 601330699 /nfs/dbraw/zinc/33/06/99/601330699.db2.gz NEODJTWGULFZAR-UHFFFAOYSA-N -1 0 376.409 3.250 20 30 GGEDRM Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=Cc1ccc(C(=O)[O-])[nH]1 ZINC000833007573 601336586 /nfs/dbraw/zinc/33/65/86/601336586.db2.gz VOGUPPYXZXIIHK-UHFFFAOYSA-N -1 0 378.413 3.342 20 30 GGEDRM CCOc1ccc(C[C@@H](CNC(=O)Nc2ccc(F)cc2C#N)C(=O)[O-])cc1 ZINC000830071400 601338545 /nfs/dbraw/zinc/33/85/45/601338545.db2.gz VUZDGSNXPXNNJK-HNNXBMFYSA-N -1 0 385.395 3.161 20 30 GGEDRM CC(=O)Nc1sc2c(c1C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1)CCCC2 ZINC000825922612 601343924 /nfs/dbraw/zinc/34/39/24/601343924.db2.gz HGLMRMFHABBICK-KRWDZBQOSA-N -1 0 398.440 3.440 20 30 GGEDRM CCn1c2ccccc2nc1SCC(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830415799 601344863 /nfs/dbraw/zinc/34/48/63/601344863.db2.gz BNPCBOBXTFJWOJ-SFHVURJKSA-N -1 0 395.440 3.389 20 30 GGEDRM CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000825828837 601345581 /nfs/dbraw/zinc/34/55/81/601345581.db2.gz OOMKJBXECKMHMG-PZJWPPBQSA-N -1 0 390.395 3.191 20 30 GGEDRM C=CCc1cc(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)cc(OC)c1OC ZINC000825705350 601345604 /nfs/dbraw/zinc/34/56/04/601345604.db2.gz CURPWVDKKYSXCN-IBGZPJMESA-N -1 0 381.384 3.287 20 30 GGEDRM N#Cc1cccc([C@H](OC(=O)c2cc(Br)ccc2O)C(=O)[O-])c1 ZINC000833077364 601345634 /nfs/dbraw/zinc/34/56/34/601345634.db2.gz QLTAJLURJIWUAF-AWEZNQCLSA-N -1 0 376.162 3.009 20 30 GGEDRM Cc1nn(C)c2nc(C3CC3)cc(C(=O)O[C@H](C(=O)[O-])c3cccc(C#N)c3)c12 ZINC000833016291 601346167 /nfs/dbraw/zinc/34/61/67/601346167.db2.gz VNAXXGVQODMMNR-SFHVURJKSA-N -1 0 390.399 3.009 20 30 GGEDRM COc1ccc(Br)c(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000832143106 601346597 /nfs/dbraw/zinc/34/65/97/601346597.db2.gz NDKOIYYUJFYXOT-HNNXBMFYSA-N -1 0 390.189 3.312 20 30 GGEDRM Cc1cc(C)c2c(N)c(C(=O)O[C@H](C(=O)[O-])c3cccc(C#N)c3)sc2n1 ZINC000832875513 601346710 /nfs/dbraw/zinc/34/67/10/601346710.db2.gz YRLVSTHUHHLVBD-HNNXBMFYSA-N -1 0 381.413 3.350 20 30 GGEDRM CSc1nc(C2CC2)cc(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)c1C#N ZINC000832795100 601347591 /nfs/dbraw/zinc/34/75/91/601347591.db2.gz STXGEMPCLFROSC-KRWDZBQOSA-N -1 0 393.424 3.407 20 30 GGEDRM CC(C)NC(=O)Nc1cccc(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000826975822 601348104 /nfs/dbraw/zinc/34/81/04/601348104.db2.gz AXCLWSWEOWSIAK-QGZVFWFLSA-N -1 0 381.388 3.071 20 30 GGEDRM N#Cc1cccc([C@H](OC(=O)c2ccc(OCC(F)(F)F)cc2)C(=O)[O-])c1 ZINC000833077033 601348765 /nfs/dbraw/zinc/34/87/65/601348765.db2.gz KPLUMCVRAIVGSO-HNNXBMFYSA-N -1 0 379.290 3.482 20 30 GGEDRM N#Cc1cccc([C@@H](OC(=O)c2ccc(OCC(F)(F)F)cc2)C(=O)[O-])c1 ZINC000833077036 601348787 /nfs/dbraw/zinc/34/87/87/601348787.db2.gz KPLUMCVRAIVGSO-OAHLLOKOSA-N -1 0 379.290 3.482 20 30 GGEDRM Cc1c(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)cnn1Cc1ccccc1 ZINC000832853248 601349279 /nfs/dbraw/zinc/34/92/79/601349279.db2.gz HJFQOJMMGVYXDE-LJQANCHMSA-N -1 0 375.384 3.094 20 30 GGEDRM N#Cc1cccc([C@@H](OC(=O)c2cc(F)cc(Br)c2)C(=O)[O-])c1 ZINC000833075392 601349567 /nfs/dbraw/zinc/34/95/67/601349567.db2.gz AHNRBCQOGQYENF-CQSZACIVSA-N -1 0 378.153 3.443 20 30 GGEDRM CN(C)c1nc2sc(C(=O)O[C@H](C(=O)[O-])c3cccc(C#N)c3)cc2s1 ZINC000830651587 601349940 /nfs/dbraw/zinc/34/99/40/601349940.db2.gz UOKSEYPBDHEVNR-ZDUSSCGKSA-N -1 0 387.442 3.278 20 30 GGEDRM Cc1c(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)nnn1-c1cccc(Cl)c1 ZINC000832854460 601350216 /nfs/dbraw/zinc/35/02/16/601350216.db2.gz YHMJIEGQJCCVRF-KRWDZBQOSA-N -1 0 396.790 3.084 20 30 GGEDRM Cc1cc(C)n(Cc2cccc(C(=O)O[C@@H](C(=O)[O-])c3cccc(C#N)c3)c2)n1 ZINC000832880656 601351073 /nfs/dbraw/zinc/35/10/73/601351073.db2.gz KDSYODOMJUYQSI-HXUWFJFHSA-N -1 0 389.411 3.403 20 30 GGEDRM Cc1cc(C)n(Cc2ccc(C(=O)O[C@@H](C(=O)[O-])c3cccc(C#N)c3)cc2)n1 ZINC000832880070 601351148 /nfs/dbraw/zinc/35/11/48/601351148.db2.gz ARTJMIFGQVOYPN-HXUWFJFHSA-N -1 0 389.411 3.403 20 30 GGEDRM N#Cc1cccc([C@@H](OC(=O)c2ccn(-c3ccccc3Cl)n2)C(=O)[O-])c1 ZINC000833076979 601351367 /nfs/dbraw/zinc/35/13/67/601351367.db2.gz JZHPBHPDVXULJH-QGZVFWFLSA-N -1 0 381.775 3.380 20 30 GGEDRM N#Cc1cccc([C@H](OC(=O)c2ccc(Br)cc2O)C(=O)[O-])c1 ZINC000833077620 601351636 /nfs/dbraw/zinc/35/16/36/601351636.db2.gz XQXKIVTXKLVPBO-AWEZNQCLSA-N -1 0 376.162 3.009 20 30 GGEDRM CC1CCN(c2ccc(C(=O)O[C@@H](C(=O)[O-])c3cccc(C#N)c3)cn2)CC1 ZINC000828303233 601351880 /nfs/dbraw/zinc/35/18/80/601351880.db2.gz MXLXRNCRQCYRST-LJQANCHMSA-N -1 0 379.416 3.172 20 30 GGEDRM N#Cc1cccc([C@@H](OC(=O)c2cc(Br)cc(F)c2N)C(=O)[O-])c1 ZINC000833075758 601353020 /nfs/dbraw/zinc/35/30/20/601353020.db2.gz DKYKPJAGZATQGQ-CQSZACIVSA-N -1 0 393.168 3.025 20 30 GGEDRM Cc1cc(C)n(-c2ccc(C(=O)O[C@H](C(=O)[O-])c3cccc(C#N)c3)cc2F)n1 ZINC000832879314 601353060 /nfs/dbraw/zinc/35/30/60/601353060.db2.gz GVKLLMAMXARYMN-IBGZPJMESA-N -1 0 393.374 3.483 20 30 GGEDRM N#Cc1cccc([C@H](OC(=O)c2cccc(Br)c2O)C(=O)[O-])c1 ZINC000833077736 601353432 /nfs/dbraw/zinc/35/34/32/601353432.db2.gz ZRLOZCKUOPUKRD-AWEZNQCLSA-N -1 0 376.162 3.009 20 30 GGEDRM N#Cc1cccc([C@H](OC(=O)c2cccc(-c3noc(C4CC4)n3)c2)C(=O)[O-])c1 ZINC000833077386 601355086 /nfs/dbraw/zinc/35/50/86/601355086.db2.gz QUHUBLJBQVQPGZ-KRWDZBQOSA-N -1 0 389.367 3.468 20 30 GGEDRM N#Cc1cccc([C@H](OC(=O)c2ccc(-c3n[nH]c(C4CC4)n3)cc2)C(=O)[O-])c1 ZINC000833077190 601355732 /nfs/dbraw/zinc/35/57/32/601355732.db2.gz MMRYCWIDUMSLTH-KRWDZBQOSA-N -1 0 388.383 3.203 20 30 GGEDRM COCCOc1ccc(Cl)cc1C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000831774395 601355849 /nfs/dbraw/zinc/35/58/49/601355849.db2.gz YNKULHVIAIRCKC-QGZVFWFLSA-N -1 0 389.791 3.220 20 30 GGEDRM N#Cc1cccc([C@@H](OC(=O)c2c(F)cccc2Br)C(=O)[O-])c1 ZINC000833075396 601355897 /nfs/dbraw/zinc/35/58/97/601355897.db2.gz AQMYWSKARBYNGV-CQSZACIVSA-N -1 0 378.153 3.443 20 30 GGEDRM N#Cc1cccc([C@@H](OC(=O)c2ccc(-c3n[nH]c(C4CC4)n3)cc2)C(=O)[O-])c1 ZINC000833077191 601355910 /nfs/dbraw/zinc/35/59/10/601355910.db2.gz MMRYCWIDUMSLTH-QGZVFWFLSA-N -1 0 388.383 3.203 20 30 GGEDRM C=CC[C@H](NC(=O)C(=O)Nc1sc2c(c1C(=O)[O-])CCCC2)c1ccncc1 ZINC000825664770 601362565 /nfs/dbraw/zinc/36/25/65/601362565.db2.gz KOCVXIYQIYQMAX-AWEZNQCLSA-N -1 0 399.472 3.092 20 30 GGEDRM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000832869482 601385326 /nfs/dbraw/zinc/38/53/26/601385326.db2.gz XSBBYZMKPSQNBH-ZWKOTPCHSA-N -1 0 384.457 3.154 20 30 GGEDRM Cc1cccc(S(=O)(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)c1C(=O)[O-] ZINC000832972391 601385382 /nfs/dbraw/zinc/38/53/82/601385382.db2.gz BGBRQPXHISSJBC-IRXDYDNUSA-N -1 0 384.457 3.154 20 30 GGEDRM Cc1ccc(S(=O)(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc1C(=O)[O-] ZINC000832955826 601385431 /nfs/dbraw/zinc/38/54/31/601385431.db2.gz WVKLWGJYTCATNU-RTBURBONSA-N -1 0 384.457 3.154 20 30 GGEDRM N#C[C@H](c1ccccc1)[C@@H]1CCCN1S(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC000833063818 601385937 /nfs/dbraw/zinc/38/59/37/601385937.db2.gz BEGFJWJDGMOADX-UXCKKACVSA-N -1 0 396.468 3.245 20 30 GGEDRM N#CCNC(=O)CNc1ccc(-c2cccc(C(F)(F)F)c2)cc1C(=O)[O-] ZINC000833067497 601391622 /nfs/dbraw/zinc/39/16/22/601391622.db2.gz WGBJAUQGJOCGHX-UHFFFAOYSA-N -1 0 377.322 3.122 20 30 GGEDRM Cc1cc(C#N)ccc1S(=O)(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC000832859351 601394109 /nfs/dbraw/zinc/39/41/09/601394109.db2.gz PPJCGJGPPCJNDN-HNNXBMFYSA-N -1 0 378.837 3.014 20 30 GGEDRM N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC000833064759 601410833 /nfs/dbraw/zinc/41/08/33/601410833.db2.gz NFUQMZHAYZRRIF-UXHICEINSA-N -1 0 377.444 3.409 20 30 GGEDRM O=C([O-])c1ccc2c(c1)CN(C(=O)NCC#Cc1ccc(C(F)(F)F)cc1)C2 ZINC000833324916 601426092 /nfs/dbraw/zinc/42/60/92/601426092.db2.gz IXNQWQOYFJZWMK-UHFFFAOYSA-N -1 0 388.345 3.481 20 30 GGEDRM N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000833064416 601426752 /nfs/dbraw/zinc/42/67/52/601426752.db2.gz IWRUJVNWZQLAFF-QZTJIDSGSA-N -1 0 379.372 3.205 20 30 GGEDRM N#Cc1cccc(-c2nnc(CN3C[C@@H](C4CCCCC4)C[C@@H]3C(=O)[O-])o2)c1 ZINC000833074066 601430730 /nfs/dbraw/zinc/43/07/30/601430730.db2.gz NQIVBDMCYGBJRN-ZWKOTPCHSA-N -1 0 380.448 3.464 20 30 GGEDRM C=CCCCC(=O)N[C@H](Cc1c[nH]c2ccc(Br)cc12)C(=O)[O-] ZINC000825671397 601442365 /nfs/dbraw/zinc/44/23/65/601442365.db2.gz OPNNBTMVXBUVGT-OAHLLOKOSA-N -1 0 379.254 3.399 20 30 GGEDRM N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)C(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000833064116 601478153 /nfs/dbraw/zinc/47/81/53/601478153.db2.gz FISGFZITITZUDW-QZTJIDSGSA-N -1 0 392.415 3.013 20 30 GGEDRM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)C(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000833064117 601478199 /nfs/dbraw/zinc/47/81/99/601478199.db2.gz FISGFZITITZUDW-ROUUACIJSA-N -1 0 392.415 3.013 20 30 GGEDRM C=CCOc1ccc(/C=C/C(=O)N2CCc3ccccc3[C@@H]2C(=O)[O-])cc1OC ZINC000767040964 601483908 /nfs/dbraw/zinc/48/39/08/601483908.db2.gz FXVUCJPRYQFXKG-XBFAEUMISA-N -1 0 393.439 3.484 20 30 GGEDRM C[C@@H](NC(=O)C(=O)Nc1scc(C2CC2)c1C(=O)[O-])c1ccc(C#N)cc1 ZINC000827616751 601488875 /nfs/dbraw/zinc/48/88/75/601488875.db2.gz ZAKGUTLTLMBYDT-SNVBAGLBSA-N -1 0 383.429 3.011 20 30 GGEDRM C[C@H](NC(=O)C(=O)Nc1scc(C2CC2)c1C(=O)[O-])c1ccc(C#N)cc1 ZINC000827616750 601489010 /nfs/dbraw/zinc/48/90/10/601489010.db2.gz ZAKGUTLTLMBYDT-JTQLQIEISA-N -1 0 383.429 3.011 20 30 GGEDRM Cc1cc(C(=O)[C@H](C#N)c2nc3ccccc3n2C)cc(C)c1OCC(=O)[O-] ZINC000832858320 601499048 /nfs/dbraw/zinc/49/90/48/601499048.db2.gz BWJPWAGZVCLXQG-HNNXBMFYSA-N -1 0 377.400 3.144 20 30 GGEDRM Cc1cc(C(=O)OC[C@@H](C#N)Cc2ccc(F)cc2)cc(C)c1OCC(=O)[O-] ZINC000832867313 601499928 /nfs/dbraw/zinc/49/99/28/601499928.db2.gz DBDBPRYMAJKVEK-MRXNPFEDSA-N -1 0 385.391 3.445 20 30 GGEDRM Cc1cccc2[nH]c([C@H](C#N)C(=O)c3cc(C)c(OCC(=O)[O-])c(C)c3)nc21 ZINC000832859484 601500960 /nfs/dbraw/zinc/50/09/60/601500960.db2.gz QYWUZSAMXDOMJY-OAHLLOKOSA-N -1 0 377.400 3.442 20 30 GGEDRM Cn1cc(NC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)cc1C(=O)[O-] ZINC000833048701 601526908 /nfs/dbraw/zinc/52/69/08/601526908.db2.gz DCRZHNNFFNBGRQ-UHFFFAOYSA-N -1 0 381.417 3.286 20 30 GGEDRM Cc1nc(NC(=O)c2cc(C)c(OCC(=O)[O-])c(C)c2)sc1SCC#N ZINC000832867497 601534595 /nfs/dbraw/zinc/53/45/95/601534595.db2.gz XLMUPOMHAMMQQU-UHFFFAOYSA-N -1 0 391.474 3.400 20 30 GGEDRM N#C[C@H](c1ccccc1)[C@@H]1CCCN1CC(=O)NCc1ccc(NC(=O)[O-])cc1 ZINC000833063727 601539831 /nfs/dbraw/zinc/53/98/31/601539831.db2.gz ABUVTFRUGLNYGH-UXHICEINSA-N -1 0 392.459 3.164 20 30 GGEDRM N#C[C@H](c1ccccc1)[C@H]1CCCN1Cc1nc2cc(C(=O)[O-])ccc2c(=O)[nH]1 ZINC000833065170 601539941 /nfs/dbraw/zinc/53/99/41/601539941.db2.gz UMJRLORZJHFQSU-IEBWSBKVSA-N -1 0 388.427 3.305 20 30 GGEDRM N#C[C@H](c1ccccc1)[C@H]1CCCN1CC(=O)NCc1ccc(NC(=O)[O-])cc1 ZINC000833063733 601539986 /nfs/dbraw/zinc/53/99/86/601539986.db2.gz ABUVTFRUGLNYGH-WOJBJXKFSA-N -1 0 392.459 3.164 20 30 GGEDRM Cc1cccc(N(CCC#N)C(=O)CN2CCc3ccccc3[C@@H]2C(=O)[O-])c1C ZINC000832971064 601546304 /nfs/dbraw/zinc/54/63/04/601546304.db2.gz HBLFJJYASYPYMA-JOCHJYFZSA-N -1 0 391.471 3.234 20 30 GGEDRM CC[C@@H](C#N)Oc1cccc(CNC(=O)c2cc(C)c(OCC(=O)[O-])c(C)c2)c1 ZINC000828586698 601563549 /nfs/dbraw/zinc/56/35/49/601563549.db2.gz JDISOIAIXMSLLI-SFHVURJKSA-N -1 0 396.443 3.378 20 30 GGEDRM C=CCc1ccc(OS(=O)(=O)c2cc(F)c(F)c(C(=O)[O-])c2)c(OC)c1 ZINC000825705269 601567065 /nfs/dbraw/zinc/56/70/65/601567065.db2.gz AITGDJWEEWJCBG-UHFFFAOYSA-N -1 0 384.356 3.168 20 30 GGEDRM C=CCN(Cc1ccc(OC)cc1)S(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1 ZINC000825681564 601572121 /nfs/dbraw/zinc/57/21/21/601572121.db2.gz CCCZCMOHTFGIJF-UHFFFAOYSA-N -1 0 397.399 3.049 20 30 GGEDRM Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1c(F)cc(C#N)cc1F ZINC000832917743 601607631 /nfs/dbraw/zinc/60/76/31/601607631.db2.gz RDNDUIMMHXGUKU-JTQLQIEISA-N -1 0 388.326 3.027 20 30 GGEDRM C=CCNC(=O)c1ccc(NC(=O)N[C@H](c2ccccc2)[C@H](C)C(=O)[O-])cc1 ZINC000825687471 601620119 /nfs/dbraw/zinc/62/01/19/601620119.db2.gz LMXQLRKWJOFSLH-KSSFIOAISA-N -1 0 381.432 3.186 20 30 GGEDRM CC(C)C(=O)N1CCC(=NOCCOc2ccc(C(=O)[O-])cc2Cl)CC1 ZINC000826652293 601631405 /nfs/dbraw/zinc/63/14/05/601631405.db2.gz ZJFHOUUYQTZIHK-UHFFFAOYSA-N -1 0 382.844 3.068 20 30 GGEDRM Cc1cc(NC(=O)CCC(=O)N(CCC#N)c2ccccc2)sc1C(=O)[O-] ZINC000832892791 601654211 /nfs/dbraw/zinc/65/42/11/601654211.db2.gz GDTJTOLPDCLOCW-UHFFFAOYSA-N -1 0 385.445 3.420 20 30 GGEDRM COCCN(CCC(=O)[O-])C(=O)c1ccc(Oc2ccc(C#N)cc2C)cc1 ZINC000831729957 601672100 /nfs/dbraw/zinc/67/21/00/601672100.db2.gz KKEMJPHSTTYRAJ-UHFFFAOYSA-N -1 0 382.416 3.222 20 30 GGEDRM N#Cc1csc(C(=O)OCC(=O)Nc2c(Cl)cc(Cl)cc2C(=O)[O-])c1 ZINC000833078689 601683839 /nfs/dbraw/zinc/68/38/39/601683839.db2.gz OGRUDAVLROACPH-UHFFFAOYSA-N -1 0 399.211 3.420 20 30 GGEDRM N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCO[C@@H](CC(=O)[O-])C2)cc1 ZINC000833065000 601691250 /nfs/dbraw/zinc/69/12/50/601691250.db2.gz PZNLUEDFKRIMFI-OALUTQOASA-N -1 0 379.416 3.049 20 30 GGEDRM N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000833065249 601691782 /nfs/dbraw/zinc/69/17/82/601691782.db2.gz WCUWPQFFZHWARK-RBUKOAKNSA-N -1 0 379.416 3.454 20 30 GGEDRM COC[C@H]1CCCN1C(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC000831665894 601693454 /nfs/dbraw/zinc/69/34/54/601693454.db2.gz CBRZJSHNVWCVQM-HXUWFJFHSA-N -1 0 378.428 3.427 20 30 GGEDRM N#CCc1ccc(OCc2cccc(NC(=O)N3CC[C@@](F)(C(=O)[O-])C3)c2)cc1 ZINC000833069087 601695952 /nfs/dbraw/zinc/69/59/52/601695952.db2.gz LXYHVJNXOCCIMT-NRFANRHFSA-N -1 0 397.406 3.362 20 30 GGEDRM N#Cc1ccccc1Oc1ccc(NC(=O)N2CCO[C@@H](CC(=O)[O-])C2)cc1 ZINC000833076532 601701146 /nfs/dbraw/zinc/70/11/46/601701146.db2.gz IFPZCHAVSXWGNH-KRWDZBQOSA-N -1 0 381.388 3.058 20 30 GGEDRM N#Cc1ccc(Oc2ccc(NC(=O)N3CCO[C@@H](CC(=O)[O-])C3)cc2)cc1 ZINC000833071832 601704841 /nfs/dbraw/zinc/70/48/41/601704841.db2.gz PTNYTMSVMUJYGK-SFHVURJKSA-N -1 0 381.388 3.058 20 30 GGEDRM Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@](F)(C(=O)[O-])C1 ZINC000832900523 601708474 /nfs/dbraw/zinc/70/84/74/601708474.db2.gz DJUQDRBTGRNNGE-OAQYLSRUSA-N -1 0 397.406 3.476 20 30 GGEDRM Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1nc(CCCC(=O)[O-])cs1 ZINC000833024532 601745970 /nfs/dbraw/zinc/74/59/70/601745970.db2.gz JROMMTSSGPDCPS-UHFFFAOYSA-N -1 0 384.417 3.367 20 30 GGEDRM C=CCOc1ccc(/C=C\C(=O)N[C@@H](C(=O)[O-])c2ccccc2F)cc1OC ZINC000776665723 601746453 /nfs/dbraw/zinc/74/64/53/601746453.db2.gz FLPMYQVQQHVRGC-YBNHLDJLSA-N -1 0 385.391 3.354 20 30 GGEDRM O=C([O-])c1cccc(C#Cc2cccc(NC(=O)N3CC[C@]4(CCOC4)C3)c2)c1 ZINC000833327735 601752274 /nfs/dbraw/zinc/75/22/74/601752274.db2.gz YAPTZKAQWBKRSV-QHCPKHFHSA-N -1 0 390.439 3.429 20 30 GGEDRM N#Cc1ccccc1OCc1ccc(C(=O)N[C@@H](C(=O)[O-])C2CCCCC2)o1 ZINC000833076909 601753950 /nfs/dbraw/zinc/75/39/50/601753950.db2.gz RZALIRUQASLGST-LJQANCHMSA-N -1 0 382.416 3.494 20 30 GGEDRM COc1ccc(CNC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc1C(=O)[O-] ZINC000832324008 601766464 /nfs/dbraw/zinc/76/64/64/601766464.db2.gz SFCRTMJKJRYOPI-RTBURBONSA-N -1 0 393.443 3.375 20 30 GGEDRM CC[C@@H](CCO)CNC(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC000828874494 601778875 /nfs/dbraw/zinc/77/88/75/601778875.db2.gz JSLOMMINANNDLO-INIZCTEOSA-N -1 0 380.444 3.315 20 30 GGEDRM C=CCn1c(-c2ccc(F)cc2)nn(CN2C[C@@H](C)[C@H](C(=O)[O-])C2)c1=S ZINC000825705634 601811991 /nfs/dbraw/zinc/81/19/91/601811991.db2.gz PPNZWUNNQQMMMV-IUODEOHRSA-N -1 0 376.457 3.016 20 30 GGEDRM N#Cc1ccccc1CSCCNC(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000595260652 601823347 /nfs/dbraw/zinc/82/33/47/601823347.db2.gz HKXAMJNIKVXJBE-UHFFFAOYSA-N -1 0 375.494 3.078 20 30 GGEDRM CC(C)Cc1ccc([C@H]2NC(=S)NC(C(=O)[O-])=C2C(=O)c2ccncc2)cc1 ZINC000826912573 601825256 /nfs/dbraw/zinc/82/52/56/601825256.db2.gz BVCYZBALMCVXEV-QGZVFWFLSA-N -1 0 395.484 3.021 20 30 GGEDRM N#CCSc1ccccc1NC(=O)CNc1cc(F)c(F)cc1C(=O)[O-] ZINC000833069458 601831626 /nfs/dbraw/zinc/83/16/26/601831626.db2.gz ZEUNMBYLJJNMSW-UHFFFAOYSA-N -1 0 377.372 3.329 20 30 GGEDRM N#CCCCOc1cccc(NS(=O)(=O)c2cc(F)c(F)c(C(=O)[O-])c2)c1 ZINC000751146391 601836733 /nfs/dbraw/zinc/83/67/33/601836733.db2.gz RIWOOPWWONFGOG-UHFFFAOYSA-N -1 0 396.371 3.146 20 30 GGEDRM CC(C)CN(c1ccc(C#N)cc1)S(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1 ZINC000751145259 601838097 /nfs/dbraw/zinc/83/80/97/601838097.db2.gz JBBFFVSEZJOQTK-UHFFFAOYSA-N -1 0 394.399 3.386 20 30 GGEDRM C[C@H](CC[S@](C)=O)NC(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC000827422171 601844393 /nfs/dbraw/zinc/84/43/93/601844393.db2.gz OFDMGHGAAWJPQN-JMGYQRAPSA-N -1 0 398.484 3.063 20 30 GGEDRM C[C@@H](CC[S@](C)=O)NC(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC000827422170 601844478 /nfs/dbraw/zinc/84/44/78/601844478.db2.gz OFDMGHGAAWJPQN-HBIPHATFSA-N -1 0 398.484 3.063 20 30 GGEDRM O=C([O-])c1cccc(CNC(=O)NCC#Cc2cccc(C(F)(F)F)c2)c1 ZINC000833131400 601848815 /nfs/dbraw/zinc/84/88/15/601848815.db2.gz AWQTYBBJOLOZSX-UHFFFAOYSA-N -1 0 376.334 3.255 20 30 GGEDRM O=C([O-])C1=C(C(=O)c2ccccc2)[C@H](c2cccc(Cl)c2F)NC(=S)N1 ZINC000833177573 601853381 /nfs/dbraw/zinc/85/33/81/601853381.db2.gz PKGRTJITUUZXRK-AWEZNQCLSA-N -1 0 390.823 3.220 20 30 GGEDRM Cc1cc(N(CCC#N)C(=O)CN[C@@H](C(=O)[O-])c2ccccc2)ccc1Cl ZINC000832888306 601860226 /nfs/dbraw/zinc/86/02/26/601860226.db2.gz HTBKOAQAAXASBG-LJQANCHMSA-N -1 0 385.851 3.311 20 30 GGEDRM Cc1ccc(N(CCC#N)C(=O)CN(C)[C@H](C(=O)[O-])c2ccccc2)cc1C ZINC000832935605 601863747 /nfs/dbraw/zinc/86/37/47/601863747.db2.gz OWGOBAUGUCZLDO-NRFANRHFSA-N -1 0 379.460 3.308 20 30 GGEDRM C=CCc1cc(CNC(=O)NCc2cccc(C(=O)[O-])c2)cc(OC)c1OC ZINC000825706182 601865420 /nfs/dbraw/zinc/86/54/20/601865420.db2.gz ZZRPCQMQZSRSOT-UHFFFAOYSA-N -1 0 384.432 3.130 20 30 GGEDRM CC[C@H](C#N)Oc1cc(CNC(=O)NCc2cccc(C(=O)[O-])c2)ccc1OC ZINC000828586378 601870526 /nfs/dbraw/zinc/87/05/26/601870526.db2.gz FBSFVZJDORHHEA-QGZVFWFLSA-N -1 0 397.431 3.074 20 30 GGEDRM N#Cc1ccc(N2CCC[C@H]2C(=O)Oc2ccc(SCC(=O)[O-])cc2)cc1 ZINC000833073245 601876903 /nfs/dbraw/zinc/87/69/03/601876903.db2.gz JVFNVTYJFGFHLP-SFHVURJKSA-N -1 0 382.441 3.309 20 30 GGEDRM O=C([O-])c1cccc(CNC(=O)NCC#Cc2ccc(C(F)(F)F)cc2)c1 ZINC000833131575 601887415 /nfs/dbraw/zinc/88/74/15/601887415.db2.gz UYHCDDAHVGHKEX-UHFFFAOYSA-N -1 0 376.334 3.255 20 30 GGEDRM N#CCCN(C(=O)CCC(=O)N[C@@H]1CCCCCC[C@@H]1C(=O)[O-])c1ccccc1 ZINC000833065580 601906943 /nfs/dbraw/zinc/90/69/43/601906943.db2.gz HFPGMJLSWQCNKL-RBUKOAKNSA-N -1 0 399.491 3.253 20 30 GGEDRM COc1ccc(NCC(=O)N(CCC#N)c2ccc(C)c(C)c2)c(C(=O)[O-])c1 ZINC000832413458 601908146 /nfs/dbraw/zinc/90/81/46/601908146.db2.gz YPRQJTWJWNEIHQ-UHFFFAOYSA-N -1 0 381.432 3.369 20 30 GGEDRM CCOc1ccc(N(CCC#N)C(=O)CNc2ccc(F)c(C(=O)[O-])c2)cc1 ZINC000830080635 601908220 /nfs/dbraw/zinc/90/82/20/601908220.db2.gz PURGKJKAGFHNMX-UHFFFAOYSA-N -1 0 385.395 3.281 20 30 GGEDRM COc1cc(C#N)ccc1OCCCC(=O)N[C@@H]1CCCCCC[C@H]1C(=O)[O-] ZINC000831861278 601915326 /nfs/dbraw/zinc/91/53/26/601915326.db2.gz SPKBJEMNBHMKMN-IAGOWNOFSA-N -1 0 388.464 3.266 20 30 GGEDRM COc1cc(C#N)ccc1OCCCC(=O)N[C@H]1CCCCCC[C@H]1C(=O)[O-] ZINC000831861280 601915777 /nfs/dbraw/zinc/91/57/77/601915777.db2.gz SPKBJEMNBHMKMN-SJORKVTESA-N -1 0 388.464 3.266 20 30 GGEDRM O=C([O-])c1ccc2[nH]cc(CN=Nc3c(F)cc(C(=O)NC4CC4)cc3F)c2c1 ZINC000833325245 601956598 /nfs/dbraw/zinc/95/65/98/601956598.db2.gz MMXIEQSRSNTDOG-UHFFFAOYSA-N -1 0 398.369 3.483 20 30 GGEDRM N#Cc1cccnc1N1CCN([C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)CC1 ZINC000833077055 601971087 /nfs/dbraw/zinc/97/10/87/601971087.db2.gz XDECPGWJULBDBZ-INIZCTEOSA-N -1 0 391.258 3.208 20 30 GGEDRM C#Cc1cccc(NC(=O)CN[C@@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)c1 ZINC000825636746 601972386 /nfs/dbraw/zinc/97/23/86/601972386.db2.gz SBFVYDXRDZNYSX-QGZVFWFLSA-N -1 0 377.227 3.329 20 30 GGEDRM N#Cc1cc(F)c(S(=O)(=O)Oc2cc3ccccc3cc2C(=O)[O-])c(F)c1 ZINC000833069657 601975945 /nfs/dbraw/zinc/97/59/45/601975945.db2.gz KPPCQQBNHFVZAB-UHFFFAOYSA-N -1 0 389.335 3.456 20 30 GGEDRM COc1ccc([C@H]2NC(=O)N(Cc3cccs3)C(C(=O)[O-])=C2C(C)=O)s1 ZINC000832272482 601990832 /nfs/dbraw/zinc/99/08/32/601990832.db2.gz GFXIYNXRUNREGC-CQSZACIVSA-N -1 0 392.458 3.012 20 30 GGEDRM C[C@@H](Oc1ccc(C#N)cc1)C(=O)N(C)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000827879190 602015219 /nfs/dbraw/zinc/01/52/19/602015219.db2.gz MCYIYTJEPHUTPL-BMLIUANNSA-N -1 0 392.333 3.027 20 30 GGEDRM Cc1[nH]c(C(=O)COC(=O)c2ccc(C(F)(F)F)cc2C#N)c(C)c1C(=O)[O-] ZINC000832844162 602015398 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389.433 3.231 20 30 GGEDRM CN1CC[C@H](C(=O)[N-]S(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1=O ZINC000048613482 1405238271 /nfs/dbraw/zinc/23/82/71/1405238271.db2.gz COGAMKJSTFFMDK-INIZCTEOSA-N -1 0 378.494 3.248 20 30 GGEDRM C[C@H](NC(=O)c1cccs1)C(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000048615135 1405238924 /nfs/dbraw/zinc/23/89/24/1405238924.db2.gz NWIDHRVXXMRFOI-LBPRGKRZSA-N -1 0 392.502 3.091 20 30 GGEDRM C[C@@H](NC(=O)c1cccs1)C(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000048615136 1405239044 /nfs/dbraw/zinc/23/90/44/1405239044.db2.gz NWIDHRVXXMRFOI-GFCCVEGCSA-N -1 0 392.502 3.091 20 30 GGEDRM C[S@@](=O)Cc1cccc(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)CCCC3)c1 ZINC000048615556 1405239577 /nfs/dbraw/zinc/23/95/77/1405239577.db2.gz PMLJFLNZEAMTMZ-VWLOTQADSA-N -1 0 391.514 3.137 20 30 GGEDRM Cc1[nH]c2ccccc2c1CC(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000048644117 1405246266 /nfs/dbraw/zinc/24/62/66/1405246266.db2.gz LUPYUKHNFWCRFJ-UHFFFAOYSA-N -1 0 397.456 3.249 20 30 GGEDRM 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389.249 3.077 20 30 GGEDRM CC(C)c1ncc(C([O-])=C(C#N)c2nc(N)nc(Nc3ccccc3)n2)s1 ZINC000122369923 1414437856 /nfs/dbraw/zinc/43/78/56/1414437856.db2.gz YPEMJIZANYZVPW-GFCCVEGCSA-N -1 0 379.449 3.267 20 30 GGEDRM CC(C)(C)[C@H](C#N)NC(=O)CCCCCn1c(=O)c2ccccc2[n-]c1=S ZINC000122443491 1414462060 /nfs/dbraw/zinc/46/20/60/1414462060.db2.gz ZIYLIRJTVOIWRR-INIZCTEOSA-N -1 0 386.521 3.300 20 30 GGEDRM COc1cc(C([O-])=C(C#N)C(=O)c2nccn2C)cc(Cl)c1OCC(C)C ZINC000122554658 1414498939 /nfs/dbraw/zinc/49/89/39/1414498939.db2.gz IWYROKRMQOCOAD-ZDUSSCGKSA-N -1 0 389.839 3.322 20 30 GGEDRM [O-]c1c(Cl)cc(Cl)cc1/C=N/C[C@]1(N2CCOCC2)CCSC1 ZINC000122556627 1414499820 /nfs/dbraw/zinc/49/98/20/1414499820.db2.gz QSDQWPCIBKIPBD-LEKRSAHOSA-N -1 0 375.321 3.326 20 30 GGEDRM Cc1cc2cc(C([O-])=C(C#N)C(=O)N3CCCC3)oc2c(Br)c1 ZINC000122671107 1414534154 /nfs/dbraw/zinc/53/41/54/1414534154.db2.gz WGBKXHVZHFKMKW-GFCCVEGCSA-N -1 0 375.222 3.449 20 30 GGEDRM Cn1ccnc1C([O-])=C(C#N)C(=O)CCSc1ccccc1Br ZINC000122673155 1414534876 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GGEDRM CCOc1ccc(-c2nc(CC(=O)C(C#N)=C([O-])c3nccn3C)cs2)cc1 ZINC000122850797 1414580182 /nfs/dbraw/zinc/58/01/82/1414580182.db2.gz ZBAHNKANMCHFDX-MRXNPFEDSA-N -1 0 394.456 3.077 20 30 GGEDRM Cc1nn(-c2ccc(C([O-])=C(C#N)C(=O)c3nccn3C)cc2)c(C)c1Cl ZINC000122854154 1414581092 /nfs/dbraw/zinc/58/10/92/1414581092.db2.gz SIIYYCGKOKDLJL-HNNXBMFYSA-N -1 0 381.823 3.081 20 30 GGEDRM CSc1[n-]c(=O)c(C(=O)N[C@H](C)c2cccc(OC(F)F)c2)cc1C#N ZINC000122930091 1414599510 /nfs/dbraw/zinc/59/95/10/1414599510.db2.gz ZBJLXUOEFSYJJZ-SECBINFHSA-N -1 0 379.388 3.061 20 30 GGEDRM Cn1ccnc1C(=O)C(C#N)=C([O-])c1cccc(-n2nccc2-c2ccccc2)c1 ZINC000122938484 1414601425 /nfs/dbraw/zinc/60/14/25/1414601425.db2.gz ISAPTRSMDKLASF-LJQANCHMSA-N -1 0 395.422 3.478 20 30 GGEDRM Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)C(C#N)=C([O-])c1nccn1C ZINC000122949191 1414603854 /nfs/dbraw/zinc/60/38/54/1414603854.db2.gz HRVVSFDXRYNPOC-KRWDZBQOSA-N -1 0 395.850 3.010 20 30 GGEDRM CCOc1cc([N+](=O)[O-])c(C([O-])=C(C#N)c2nc3ccccc3n2C)cc1OC ZINC000122957994 1414605254 /nfs/dbraw/zinc/60/52/54/1414605254.db2.gz NCGUILBJHICAKT-ZDUSSCGKSA-N -1 0 394.387 3.379 20 30 GGEDRM CC(C)Oc1cc(Br)cc(C([O-])=C(C#N)C(=O)c2nccn2C)c1 ZINC000123012613 1414619160 /nfs/dbraw/zinc/61/91/60/1414619160.db2.gz PWNUAYFRGPBENZ-CQSZACIVSA-N -1 0 390.237 3.175 20 30 GGEDRM CC(C)Oc1cc(Br)cc(C([O-])=C(C#N)C(=O)c2nccn2C)c1 ZINC000123012778 1414619887 /nfs/dbraw/zinc/61/98/87/1414619887.db2.gz PWNUAYFRGPBENZ-AWEZNQCLSA-N -1 0 390.237 3.175 20 30 GGEDRM Cn1ccnc1C(=O)C(C#N)=C([O-])c1cccc(NC(=O)c2ccc(F)cc2)c1 ZINC000123045624 1414627039 /nfs/dbraw/zinc/62/70/39/1414627039.db2.gz VQOLALWOPXKOBZ-QGZVFWFLSA-N -1 0 390.374 3.017 20 30 GGEDRM Cn1c2ccccc2nc1[C@H](C#N)C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000123046135 1414627126 /nfs/dbraw/zinc/62/71/26/1414627126.db2.gz RBCRPONFBQQUDO-OAHLLOKOSA-N -1 0 386.371 3.157 20 30 GGEDRM CCOc1ccc(-c2nc(C)c(C([O-])=C(C#N)C(=O)c3nccn3C)s2)cc1 ZINC000123057167 1414629855 /nfs/dbraw/zinc/62/98/55/1414629855.db2.gz 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20 30 GGEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000124567739 1414996255 /nfs/dbraw/zinc/99/62/55/1414996255.db2.gz JRMJNGGUIPTHHQ-INIZCTEOSA-N -1 0 378.388 3.283 20 30 GGEDRM CC(C)c1csc(C(C#N)=C([O-])c2cn(-c3cccc([N+](=O)[O-])c3)nn2)n1 ZINC000177769255 1428854420 /nfs/dbraw/zinc/85/44/20/1428854420.db2.gz HMYDIJJCTBAJPQ-ZDUSSCGKSA-N -1 0 382.405 3.245 20 30 GGEDRM Cc1cc(C(=O)Nc2cccc(C#N)c2)ccc1[N-]S(=O)(=O)C(F)(F)F ZINC000177794092 1428859714 /nfs/dbraw/zinc/85/97/14/1428859714.db2.gz KLVKVNLDROFNSM-UHFFFAOYSA-N -1 0 383.351 3.381 20 30 GGEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O ZINC000124740628 1415033470 /nfs/dbraw/zinc/03/34/70/1415033470.db2.gz GXBLSOSXLJFDQC-UXHICEINSA-N -1 0 388.423 3.086 20 30 GGEDRM Cc1ccc(C([O-])=C(C#N)C(=O)N2CCCC2)cc1NC(=O)c1ccccc1 ZINC000124822932 1415052647 /nfs/dbraw/zinc/05/26/47/1415052647.db2.gz LARXSJULKCASCB-SFHVURJKSA-N -1 0 375.428 3.192 20 30 GGEDRM Cc1cc(NC(=O)c2cccc(F)c2)sc1C([O-])=C(C#N)C(=O)N1CCCC1 ZINC000124824357 1415053267 /nfs/dbraw/zinc/05/32/67/1415053267.db2.gz PPOMMPPMRLFRIN-HNNXBMFYSA-N -1 0 399.447 3.393 20 30 GGEDRM CC(C)Nc1cccc(F)c1[N-]S(=O)(=O)c1ccc(C#N)cc1[N+](=O)[O-] ZINC000124955429 1415081073 /nfs/dbraw/zinc/08/10/73/1415081073.db2.gz PQTZUYFMZRNSDH-UHFFFAOYSA-N -1 0 378.385 3.227 20 30 GGEDRM C=C(C)CN(CC)C(=O)c1ccc2c(c1)[n-]c(=S)n(Cc1ccco1)c2=O ZINC000125011715 1415091157 /nfs/dbraw/zinc/09/11/57/1415091157.db2.gz RKCWEBDPUJGILX-UHFFFAOYSA-N -1 0 383.473 3.365 20 30 GGEDRM CC(C)[C@@H](Oc1ccccc1C#N)C(=O)[N-]S(=O)(=O)c1ccccc1Cl ZINC000125085202 1415106173 /nfs/dbraw/zinc/10/61/73/1415106173.db2.gz LTIXMKLPPQTJHT-QGZVFWFLSA-N -1 0 392.864 3.120 20 30 GGEDRM COCCCNC(=O)C(C#N)=C([O-])c1cccc(OCc2cccc(C)c2)c1 ZINC000125088001 1415106626 /nfs/dbraw/zinc/10/66/26/1415106626.db2.gz FEHYOIJPMNKGSF-FQEVSTJZSA-N -1 0 380.444 3.049 20 30 GGEDRM COCCCNC(=O)C(C#N)=C([O-])c1cc(-c2ccc(OC)cc2)c(C)s1 ZINC000125119057 1415113112 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CCCCCCNC(=O)C(C#N)=C([O-])c1ccc(I)cc1 ZINC000125564545 1415227367 /nfs/dbraw/zinc/22/73/67/1415227367.db2.gz UBQLZQFYBGOJEV-AWEZNQCLSA-N -1 0 398.244 3.310 20 30 GGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000125567965 1415228617 /nfs/dbraw/zinc/22/86/17/1415228617.db2.gz USDNQFULWDXHKB-INIZCTEOSA-N -1 0 386.452 3.214 20 30 GGEDRM N#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000177875820 1428879741 /nfs/dbraw/zinc/87/97/41/1428879741.db2.gz VGHYGUDYYXOTDI-UHFFFAOYSA-N -1 0 376.196 3.231 20 30 GGEDRM C[C@@H](C#N)NC(=O)c1ccccc1[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000125623297 1415240065 /nfs/dbraw/zinc/24/00/65/1415240065.db2.gz YDZJUJRUNQUCKD-NSHDSACASA-N -1 0 397.378 3.148 20 30 GGEDRM C[C@H](NS(=O)(=O)c1ccccc1C#N)c1noc(-c2ccc(Cl)cc2)n1 ZINC000125833415 1415293207 /nfs/dbraw/zinc/29/32/07/1415293207.db2.gz BSHSGAOLLQXQMK-NSHDSACASA-N -1 0 388.836 3.301 20 30 GGEDRM CSc1ccc(C([O-])=C(C#N)c2nc(N)nc(Nc3ccccc3)n2)cc1 ZINC000126128169 1415364701 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3.016 20 30 GGEDRM N#CC(C(=O)NCc1ccccc1)=C([O-])c1cc(-c2ccccc2Cl)[nH]n1 ZINC000126899967 1415599511 /nfs/dbraw/zinc/59/95/11/1415599511.db2.gz WRPUBFYVBIQRBP-OAHLLOKOSA-N -1 0 378.819 3.369 20 30 GGEDRM N#CC(C(=O)NCc1ccccc1)=C([O-])c1cnn(-c2ccc(Cl)cc2)c1 ZINC000126951743 1415617226 /nfs/dbraw/zinc/61/72/26/1415617226.db2.gz GQFWWTTWRXLSJH-SFHVURJKSA-N -1 0 378.819 3.165 20 30 GGEDRM N#CC(C(=O)NCc1ccccc1)=C([O-])c1cccc(NC(=O)c2ccco2)c1 ZINC000126981098 1415624676 /nfs/dbraw/zinc/62/46/76/1415624676.db2.gz MLAORSYPVSWLAL-SFHVURJKSA-N -1 0 387.395 3.171 20 30 GGEDRM N#Cc1ccc(Oc2ccc(NC(=O)c3ccc(-c4nnn[n-]4)s3)cn2)cc1 ZINC000822833188 1428967848 /nfs/dbraw/zinc/96/78/48/1428967848.db2.gz MDYFNSROZZEBSP-UHFFFAOYSA-N -1 0 389.400 3.239 20 30 GGEDRM CC(C)(C)n1cc(C#N)c([N-]S(=O)(=O)Cc2ccccc2C(F)(F)F)n1 ZINC000127120514 1415664246 /nfs/dbraw/zinc/66/42/46/1415664246.db2.gz RPTQLWIJRFHCBV-UHFFFAOYSA-N -1 0 386.399 3.470 20 30 GGEDRM COc1cccc(NC(=O)C(C#N)=C([O-])c2sccc2Br)c1 ZINC000127152988 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N#C[C@H](NC(=O)c1cccc(Oc2cccc(Cl)c2-c2nn[n-]n2)c1)C1CC1 ZINC000737673933 1429029772 /nfs/dbraw/zinc/02/97/72/1429029772.db2.gz FDNCHBPIYCVVSW-HNNXBMFYSA-N -1 0 394.822 3.344 20 30 GGEDRM Cc1nn(-c2ccccc2)c(C)c1[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000128465558 1415993524 /nfs/dbraw/zinc/99/35/24/1415993524.db2.gz ZNWUJWUXQFKBJN-UHFFFAOYSA-N -1 0 388.399 3.440 20 30 GGEDRM N#CCc1ccc(S(=O)(=O)[N-]c2c(-c3ccco3)nc3ccccn32)cc1 ZINC000128490779 1415999216 /nfs/dbraw/zinc/99/92/16/1415999216.db2.gz DWVMFBVCWKGJQQ-UHFFFAOYSA-N -1 0 378.413 3.461 20 30 GGEDRM CC(C)(C)NC(=O)c1ccc([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)cc1 ZINC000128570740 1416016302 /nfs/dbraw/zinc/01/63/02/1416016302.db2.gz WMNDEJFKIYPVJA-UHFFFAOYSA-N -1 0 393.415 3.166 20 30 GGEDRM N#Cc1ccc(NCC(=O)Nc2cc(Cl)ccc2-c2nn[n-]n2)c(Cl)c1 ZINC000822829922 1429041819 /nfs/dbraw/zinc/04/18/19/1429041819.db2.gz PFWGXJMZIYXDPM-UHFFFAOYSA-N -1 0 388.218 3.096 20 30 GGEDRM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]c1ccc(C(C)(C)C#N)cc1 ZINC000128694071 1416044769 /nfs/dbraw/zinc/04/47/69/1416044769.db2.gz GXZWOCWOAPHELP-UHFFFAOYSA-N -1 0 376.409 3.214 20 30 GGEDRM Cc1cccc(-c2cncc(C(=O)[N-]S(=O)(=O)c3cccc(C#N)c3)c2)c1 ZINC000178316324 1429050428 /nfs/dbraw/zinc/05/04/28/1429050428.db2.gz SCAVBVMAVIOKDK-UHFFFAOYSA-N -1 0 377.425 3.047 20 30 GGEDRM CCCCn1ccnc1-c1cccc([N-]S(=O)(=O)c2ccc(C#N)nc2)c1 ZINC000128736015 1416054753 /nfs/dbraw/zinc/05/47/53/1416054753.db2.gz NVJDTXNKMLARDW-UHFFFAOYSA-N -1 0 381.461 3.418 20 30 GGEDRM N#Cc1cccc(OCCCCC(=O)OCc2cc(F)ccc2-c2nn[n-]n2)c1 ZINC000822837908 1429052971 /nfs/dbraw/zinc/05/29/71/1429052971.db2.gz XZPKEWRNJGDXEX-UHFFFAOYSA-N -1 0 395.394 3.170 20 30 GGEDRM CC(=O)Nc1nc(C([O-])=C(C#N)C(=O)Nc2cccc3ccccc32)cs1 ZINC000128763303 1416062192 /nfs/dbraw/zinc/06/21/92/1416062192.db2.gz ODEXLTQRZSKTHA-CQSZACIVSA-N -1 0 378.413 3.216 20 30 GGEDRM CC(=O)NCc1ccc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)cc1 ZINC000128801526 1416072458 /nfs/dbraw/zinc/07/24/58/1416072458.db2.gz VCWYBYQFJDSKKO-KRWDZBQOSA-N -1 0 376.441 3.331 20 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1416186535 /nfs/dbraw/zinc/18/65/35/1416186535.db2.gz SCCRQIFIPLTUDA-CQSZACIVSA-N -1 0 389.864 3.285 20 30 GGEDRM N#CC(C(=O)NC1CC1)=C([O-])c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1 ZINC000129329121 1416191746 /nfs/dbraw/zinc/19/17/46/1416191746.db2.gz ZFZBLQJPIYKNJQ-OAHLLOKOSA-N -1 0 394.818 3.387 20 30 GGEDRM Cc1cccc(-c2nnc(-c3ccc(C([O-])=C(C#N)C(=O)NC4CC4)cc3)o2)c1 ZINC000129328469 1416191835 /nfs/dbraw/zinc/19/18/35/1416191835.db2.gz MJRBILTXTYVSSL-SFHVURJKSA-N -1 0 386.411 3.313 20 30 GGEDRM CC(C)CCSc1ccc(C([O-])=C(C#N)C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000129403469 1416204184 /nfs/dbraw/zinc/20/41/84/1416204184.db2.gz FPYCBKVQEUYJFK-AWEZNQCLSA-N -1 0 375.450 3.334 20 30 GGEDRM Cc1cc(NC(=O)c2cccc(F)c2)sc1C([O-])=C(C#N)C(=O)NC1CC1 ZINC000129517548 1416221439 /nfs/dbraw/zinc/22/14/39/1416221439.db2.gz VZIFIUGNCBKEJU-CQSZACIVSA-N -1 0 385.420 3.049 20 30 GGEDRM Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C([O-])=C(C#N)C(=O)NC3CC3)c12 ZINC000129625621 1416239006 /nfs/dbraw/zinc/23/90/06/1416239006.db2.gz LNHDAVQUODWGRH-HNNXBMFYSA-N -1 0 381.480 3.219 20 30 GGEDRM CCN(CC)c1nc2sc(C([O-])=C(C#N)C(=O)N3CCCC3)cc2s1 ZINC000129832453 1416270927 /nfs/dbraw/zinc/27/09/27/1416270927.db2.gz MKPPROIZVUFCPD-LLVKDONJSA-N -1 0 376.507 3.149 20 30 GGEDRM Cc1nc(COc2ccc(F)cc2)sc1C([O-])=C(C#N)C(=O)c1nccn1C ZINC000178471123 1429084887 /nfs/dbraw/zinc/08/48/87/1429084887.db2.gz NFCNCCKFCQAFRV-CQSZACIVSA-N -1 0 398.419 3.109 20 30 GGEDRM CC(C)OCc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2[N+](=O)[O-])cc1 ZINC000130362812 1416364988 /nfs/dbraw/zinc/36/49/88/1416364988.db2.gz ZCGYYXPGPCSEBL-UHFFFAOYSA-N -1 0 375.406 3.192 20 30 GGEDRM C=CCNC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(C(C)=O)ccc1Cl ZINC000130448504 1416379850 /nfs/dbraw/zinc/37/98/50/1416379850.db2.gz LRROJGOCKLICRY-UHFFFAOYSA-N -1 0 392.864 3.259 20 30 GGEDRM CC(=O)Nc1nc(C([O-])=C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cs1 ZINC000130474179 1416383945 /nfs/dbraw/zinc/38/39/45/1416383945.db2.gz ZSCMKQNZYXWTQR-NSHDSACASA-N -1 0 397.243 3.369 20 30 GGEDRM CC1=CC(=O)C(=C([O-])C=Cc2cn(C)nc2-c2cc3ccccc3o2)C(=O)O1 ZINC000130664726 1416420562 /nfs/dbraw/zinc/42/05/62/1416420562.db2.gz PSIOUABCXZRRFV-UCFODXPJSA-N -1 0 376.368 3.062 20 30 GGEDRM C#Cc1cccc(N(CC)C(=O)c2cc(C)n(-c3cccc(-c4nn[n-]n4)c3)n2)c1 ZINC000823861307 1429100122 /nfs/dbraw/zinc/10/01/22/1429100122.db2.gz DFHOCNSEYMGWSS-UHFFFAOYSA-N -1 0 397.442 3.009 20 30 GGEDRM CC(C)NC(=O)C(C#N)=C([O-])c1ccc(SCc2cn3ccccc3n2)cc1 ZINC000130926473 1416482490 /nfs/dbraw/zinc/48/24/90/1416482490.db2.gz XTFPBVXCLHLRKP-SFHVURJKSA-N -1 0 392.484 3.474 20 30 GGEDRM CC(C)n1cnc(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)c(C#N)c2)c1 ZINC000131704131 1416599855 /nfs/dbraw/zinc/59/98/55/1416599855.db2.gz PJYDQNNHDSKLHQ-UHFFFAOYSA-N -1 0 388.371 3.078 20 30 GGEDRM Cc1cccc(-c2cncc(C(=O)[N-]S(=O)(=O)c3ccc(C#N)cc3)c2)c1 ZINC000131911884 1416649411 /nfs/dbraw/zinc/64/94/11/1416649411.db2.gz GKXWBQVUDHBBAD-UHFFFAOYSA-N -1 0 377.425 3.047 20 30 GGEDRM N#CC(C(=O)NC1CC1)=C([O-])c1ccc(Br)c(C(F)(F)F)c1 ZINC000132000303 1416670477 /nfs/dbraw/zinc/67/04/77/1416670477.db2.gz NJICPLHTFRBBKC-VIFPVBQESA-N -1 0 375.144 3.069 20 30 GGEDRM Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1ccc(Oc2ncccc2C#N)cc1C ZINC000132511684 1416776062 /nfs/dbraw/zinc/77/60/62/1416776062.db2.gz IHNTYPDOWPKRQS-UHFFFAOYSA-N -1 0 397.460 3.205 20 30 GGEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1cc(Br)cc([N+](=O)[O-])c1 ZINC000132635955 1416797374 /nfs/dbraw/zinc/79/73/74/1416797374.db2.gz DAUHKXGDWVIEDR-CQSZACIVSA-N -1 0 394.225 3.129 20 30 GGEDRM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2cc(C)cc3cccnc32)c1 ZINC000132793180 1416815670 /nfs/dbraw/zinc/81/56/70/1416815670.db2.gz WEKRZHUGPKMIMU-UHFFFAOYSA-N -1 0 381.457 3.260 20 30 GGEDRM CNC(=O)C(C#N)=C([O-])c1cc(-c2ccccc2C)nc2c1cnn2C(C)C ZINC000133347342 1416881194 /nfs/dbraw/zinc/88/11/94/1416881194.db2.gz KFJPRPLSFYUQIQ-INIZCTEOSA-N -1 0 375.432 3.056 20 30 GGEDRM CNC(=O)C(C#N)=C([O-])c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1 ZINC000133489564 1416895047 /nfs/dbraw/zinc/89/50/47/1416895047.db2.gz ZHCJLVFXMUWLJF-HNNXBMFYSA-N -1 0 390.226 3.314 20 30 GGEDRM CCN(CCC#N)C(=O)c1ccccc1[N-]S(=O)(=O)c1cc(C)ccc1C ZINC000133587788 1416911495 /nfs/dbraw/zinc/91/14/95/1416911495.db2.gz GWELWDDQKNCIRU-UHFFFAOYSA-N -1 0 385.489 3.480 20 30 GGEDRM CSc1[n-]c(=O)c(C(=O)N[C@@H](C)COc2ccc(C(C)(C)C)cc2)cc1C#N ZINC000133783858 1416962426 /nfs/dbraw/zinc/96/24/26/1416962426.db2.gz IOKKQSKEYXCMIB-ZDUSSCGKSA-N -1 0 399.516 3.463 20 30 GGEDRM Cc1cccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)C(C)(C)C)cc2)c1C#N ZINC000135589182 1417241540 /nfs/dbraw/zinc/24/15/40/1417241540.db2.gz UDJAOBXEVYRZMZ-UHFFFAOYSA-N -1 0 392.502 3.240 20 30 GGEDRM C=CCn1c(=O)c2ccc(C(=O)Nc3ccc(C)c(O)c3C)cc2[n-]c1=S ZINC000178787895 1429169606 /nfs/dbraw/zinc/16/96/06/1429169606.db2.gz WZOLZIGJPOXDJW-UHFFFAOYSA-N -1 0 381.457 3.446 20 30 GGEDRM C=CCn1c(=O)c2ccc(C(=O)Nc3ccc(O)c(Cl)c3)cc2[n-]c1=S ZINC000135906633 1417276856 /nfs/dbraw/zinc/27/68/56/1417276856.db2.gz BYIRMSLKFMFYDN-UHFFFAOYSA-N -1 0 387.848 3.483 20 30 GGEDRM C[C@H](C#N)CSc1ccccc1NC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000735505583 1429174254 /nfs/dbraw/zinc/17/42/54/1429174254.db2.gz RLKMIYQRDNYIIU-CYBMUJFWSA-N -1 0 393.476 3.440 20 30 GGEDRM COc1cc(C([O-])=C(C#N)C(=O)NC2CCCCC2)sc1Br ZINC000136582560 1417329234 /nfs/dbraw/zinc/32/92/34/1417329234.db2.gz ZCJREWWFCMIBSU-JTQLQIEISA-N -1 0 385.283 3.291 20 30 GGEDRM COc1ccc(CCNC(=O)C(C#N)=C([O-])c2ccc3nc(C)ccc3c2)cc1 ZINC000136868189 1417351551 /nfs/dbraw/zinc/35/15/51/1417351551.db2.gz KLCAJQICNNKBJL-FQEVSTJZSA-N -1 0 387.439 3.233 20 30 GGEDRM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)c(N(C)C)n1 ZINC000137202221 1417374680 /nfs/dbraw/zinc/37/46/80/1417374680.db2.gz WQBYLJYUIRSAHB-UHFFFAOYSA-N -1 0 384.383 3.147 20 30 GGEDRM CCN(CC)C(=O)Cc1ccc([N-]S(=O)(=O)c2cccc(C)c2C#N)cc1 ZINC000137251721 1417377096 /nfs/dbraw/zinc/37/70/96/1417377096.db2.gz ZAPPXKXZWPDZSH-UHFFFAOYSA-N -1 0 385.489 3.078 20 30 GGEDRM Cc1cccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)NC3CC3)c2)c1C#N ZINC000137283596 1417378759 /nfs/dbraw/zinc/37/87/59/1417378759.db2.gz SLXNPKVWIXIVFK-UHFFFAOYSA-N -1 0 389.864 3.213 20 30 GGEDRM COc1cccc(C=NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c1O ZINC000737131667 1429179788 /nfs/dbraw/zinc/17/97/88/1429179788.db2.gz XMBSWADNWLKNES-UHFFFAOYSA-N -1 0 378.314 3.046 20 30 GGEDRM C=CCn1c(=O)c2ccc(C(=O)N(C)c3ccc(OC)c(F)c3)cc2[n-]c1=S ZINC000137731829 1417393819 /nfs/dbraw/zinc/39/38/19/1417393819.db2.gz DHZVNAKTVQVBOR-UHFFFAOYSA-N -1 0 399.447 3.296 20 30 GGEDRM CCCOc1c(Cl)cc(C(=O)[C@@H](C#N)C(=O)Nc2ccccn2)cc1OC ZINC000138967082 1417443445 /nfs/dbraw/zinc/44/34/45/1417443445.db2.gz MZUVQMNNIKDDLY-CYBMUJFWSA-N -1 0 387.823 3.494 20 30 GGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000140220016 1417492372 /nfs/dbraw/zinc/49/23/72/1417492372.db2.gz QXHYAQVRXOIRBH-GOSISDBHSA-N -1 0 390.505 3.032 20 30 GGEDRM C[C@@H](NC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1)c1ccc(C#N)cc1 ZINC000824489389 1429198966 /nfs/dbraw/zinc/19/89/66/1429198966.db2.gz KKLRGSOGNSBAKL-OAHLLOKOSA-N -1 0 399.458 3.298 20 30 GGEDRM Cn1c2cccc(C([O-])=C(C#N)c3nc4ccccc4n3C(F)F)c2oc1=O ZINC000178882583 1429209574 /nfs/dbraw/zinc/20/95/74/1429209574.db2.gz AUGDKRJRJDMRLQ-LLVKDONJSA-N -1 0 382.326 3.366 20 30 GGEDRM COC(=O)Cc1cccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)c1 ZINC000150781111 1417805728 /nfs/dbraw/zinc/80/57/28/1417805728.db2.gz INZFXADGLYDSSK-UHFFFAOYSA-N -1 0 398.362 3.093 20 30 GGEDRM N#CC(=C([O-])C=CSCc1ccco1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000150921933 1417835959 /nfs/dbraw/zinc/83/59/59/1417835959.db2.gz ZQGXKDWWMWULBD-HQPKTYMTSA-N -1 0 392.444 3.414 20 30 GGEDRM N#Cc1ccc(NC(=O)C(=O)[N-]OCc2ccc(C(F)(F)F)cc2)cc1Cl ZINC000151391467 1417946821 /nfs/dbraw/zinc/94/68/21/1417946821.db2.gz NNQRICQWTGAUAT-UHFFFAOYSA-N -1 0 397.740 3.417 20 30 GGEDRM Cc1nc([N-]S(=O)(=O)c2cc(F)ccc2Cl)n(-c2ccc(C#N)cc2)n1 ZINC000151527213 1418013648 /nfs/dbraw/zinc/01/36/48/1418013648.db2.gz RQJMBZGTMAYBHY-UHFFFAOYSA-N -1 0 391.815 3.041 20 30 GGEDRM N#Cc1cc(Br)cc(S(=O)(=O)[N-]C(=O)c2ccccc2Cl)c1 ZINC000151732225 1418074033 /nfs/dbraw/zinc/07/40/33/1418074033.db2.gz BRCGDQHCBHTLBH-UHFFFAOYSA-N -1 0 399.653 3.093 20 30 GGEDRM N#Cc1cc(Br)cc(S(=O)(=O)[N-]C(=O)CC2CCCCC2)c1 ZINC000151734850 1418074487 /nfs/dbraw/zinc/07/44/87/1418074487.db2.gz IQUDRUGVCLXARH-UHFFFAOYSA-N -1 0 385.283 3.096 20 30 GGEDRM CC(C)C[C@@H](C)CC(=O)[N-]S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000151736072 1418074504 /nfs/dbraw/zinc/07/45/04/1418074504.db2.gz UDGQPMFBMLEANN-LLVKDONJSA-N -1 0 387.299 3.198 20 30 GGEDRM N#Cc1cc(Br)cc(S(=O)(=O)[N-]C(=O)CC2=CCCCC2)c1 ZINC000151736625 1418075080 /nfs/dbraw/zinc/07/50/80/1418075080.db2.gz PUQYTYUZWKVVII-UHFFFAOYSA-N -1 0 383.267 3.016 20 30 GGEDRM COc1ccc(CCNC(=O)C(C#N)=C([O-])c2cnc3ccc(F)cc3c2)cc1 ZINC000178986717 1429235132 /nfs/dbraw/zinc/23/51/32/1429235132.db2.gz UUXGUONSVDSJSG-IBGZPJMESA-N -1 0 391.402 3.064 20 30 GGEDRM Cc1c(C([O-])=C(C#N)c2nc3ccccc3o2)cnn1CCO[C@H]1CCCCO1 ZINC000179009148 1429241876 /nfs/dbraw/zinc/24/18/76/1429241876.db2.gz XUXMKKATVSGXEX-BEFAXECRSA-N -1 0 394.431 3.366 20 30 GGEDRM CC(C)[C@H](Sc1ccccc1)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000735734241 1429246586 /nfs/dbraw/zinc/24/65/86/1429246586.db2.gz FPJYBZGXWBSPPU-KRWDZBQOSA-N -1 0 378.461 3.494 20 30 GGEDRM C[C@@H](C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1)c1ccccc1C(F)(F)F ZINC000735560635 1429276072 /nfs/dbraw/zinc/27/60/72/1429276072.db2.gz SIZDQICNPZMOAA-SNVBAGLBSA-N -1 0 386.337 3.499 20 30 GGEDRM Cc1cc(CN=Nc2oc(C(C)C)nc2-c2nn[n-]n2)ccc1Br ZINC000822198855 1429304288 /nfs/dbraw/zinc/30/42/88/1429304288.db2.gz MGHPIIHYVIPBLF-UHFFFAOYSA-N -1 0 390.245 3.495 20 30 GGEDRM C#CCOc1ccc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCC3)cc1 ZINC000735381756 1429304996 /nfs/dbraw/zinc/30/49/96/1429304996.db2.gz ZJERWWUHZQGGID-UHFFFAOYSA-N -1 0 393.472 3.461 20 30 GGEDRM Cc1cc(C(=O)N(CCC#N)CC(C)C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737227248 1429303931 /nfs/dbraw/zinc/30/39/31/1429303931.db2.gz JOUHAOOBJVEEHZ-UHFFFAOYSA-N -1 0 391.479 3.286 20 30 GGEDRM C=CCN(CC=C)C(=O)CSc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000823903789 1429334975 /nfs/dbraw/zinc/33/49/75/1429334975.db2.gz KZLNZPGHGGTDEX-UHFFFAOYSA-N -1 0 383.399 3.178 20 30 GGEDRM N#Cc1cccc(CNC(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c1 ZINC000822837597 1429337243 /nfs/dbraw/zinc/33/72/43/1429337243.db2.gz OTMNVFWMJYAEDU-UHFFFAOYSA-N -1 0 387.325 3.079 20 30 GGEDRM O=C1C[C@H](C/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])CN1Cc1ccccc1 ZINC000179366240 1429346893 /nfs/dbraw/zinc/34/68/93/1429346893.db2.gz UIGJMEWWBDVBMW-YVJZOELXSA-N -1 0 387.823 3.421 20 30 GGEDRM C=CCCCC(=O)[N-]S(=O)(=O)Cc1ccc(Cl)cc1Br ZINC000179378634 1429350295 /nfs/dbraw/zinc/35/02/95/1429350295.db2.gz QEOALZSZAGUKDC-UHFFFAOYSA-N -1 0 380.691 3.405 20 30 GGEDRM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)Nc1cc(C(C)(C)C)sc1C#N ZINC000179545671 1429421570 /nfs/dbraw/zinc/42/15/70/1429421570.db2.gz OFRFVFLUMQMJPQ-UHFFFAOYSA-N -1 0 383.477 3.051 20 30 GGEDRM CC(=NNc1ccc(Cl)nc1)c1cnn(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000819772885 1429438625 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ZINC000179742394 1429532735 /nfs/dbraw/zinc/53/27/35/1429532735.db2.gz MCOOBDNKLXCWBI-INIZCTEOSA-N -1 0 378.432 3.455 20 30 GGEDRM CN1C(=O)C[C@@H](C(=O)Nc2cc(C#N)ccc2[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000179733464 1429528017 /nfs/dbraw/zinc/52/80/17/1429528017.db2.gz DLBJMYDJPXTWND-KZULUSFZSA-N -1 0 387.798 3.214 20 30 GGEDRM CCc1c(C)sc(NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)c1C#N ZINC000736675743 1429528615 /nfs/dbraw/zinc/52/86/15/1429528615.db2.gz LRVYPVGYKGZJOH-UHFFFAOYSA-N -1 0 384.490 3.402 20 30 GGEDRM Cc1c([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)cnn1-c1ccccc1F ZINC000152608799 1422163079 /nfs/dbraw/zinc/16/30/79/1422163079.db2.gz JXAOPSHYOKVBGM-UHFFFAOYSA-N -1 0 392.362 3.271 20 30 GGEDRM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)O[C@H](C)c1ccc(C#N)cc1 ZINC000820486998 1429537965 /nfs/dbraw/zinc/53/79/65/1429537965.db2.gz DSDDUZOMTDVHAS-KUHUBIRLSA-N -1 0 391.431 3.446 20 30 GGEDRM Cc1cnn(-c2ccc(C)cc2[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)c1 ZINC000152680428 1422206516 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376.865 3.285 20 30 GGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1nc(-c2cccc(OC)c2)[nH]c1C ZINC000179788830 1429565131 /nfs/dbraw/zinc/56/51/31/1429565131.db2.gz GLNSDYBXXFBLMF-QGZVFWFLSA-N -1 0 382.464 3.413 20 30 GGEDRM Cc1ccccc1C[C@@H](C)NC(=O)Cn1[n-]c(C(C)(C)C)c(CCC#N)c1=O ZINC000153452907 1422545586 /nfs/dbraw/zinc/54/55/86/1422545586.db2.gz MXGKLFQCUXVKKT-MRXNPFEDSA-N -1 0 382.508 3.398 20 30 GGEDRM N#CC(=C([O-])C=Cc1ccc(Cl)nc1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000179789860 1429566253 /nfs/dbraw/zinc/56/62/53/1429566253.db2.gz KIZGUASPRKWVKB-IZPAUZPXSA-N -1 0 391.822 3.135 20 30 GGEDRM COc1cccc(-c2nc(C([O-])=C(C#N)C(=O)NCc3ccccc3)c(C)[nH]2)c1 ZINC000179792599 1429568324 /nfs/dbraw/zinc/56/83/24/1429568324.db2.gz ZABUHZUOBVDRCY-GOSISDBHSA-N -1 0 388.427 3.033 20 30 GGEDRM CC(C)(C)c1[n-]n(CC(=O)Nc2ccnn2C2CCCC2)c(=O)c1CCC#N ZINC000153531227 1422590591 /nfs/dbraw/zinc/59/05/91/1422590591.db2.gz NICWRIYETLACLL-UHFFFAOYSA-N -1 0 384.484 3.293 20 30 GGEDRM N#Cc1cccc(CS(=O)(=O)[N-]C(=O)c2ccc(CCC(F)(F)F)cc2)c1 ZINC000153620066 1422652902 /nfs/dbraw/zinc/65/29/02/1422652902.db2.gz MYLDHCNWLBOPAS-UHFFFAOYSA-N -1 0 396.390 3.313 20 30 GGEDRM CCCc1c(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cnn1-c1ccccc1 ZINC000825348580 1429577322 /nfs/dbraw/zinc/57/73/22/1429577322.db2.gz QOYWVZCVKOWRJZ-UHFFFAOYSA-N -1 0 398.430 3.129 20 30 GGEDRM Cc1oc(-c2ccsc2)nc1CSc1nc(N)c(C#N)cc1-c1nnn[n-]1 ZINC000737546095 1429582582 /nfs/dbraw/zinc/58/25/82/1429582582.db2.gz CKXWEHZBBWGLFG-UHFFFAOYSA-N -1 0 396.461 3.033 20 30 GGEDRM C=CCN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2cc(Cl)ccc2OC)c1 ZINC000154132127 1422844565 /nfs/dbraw/zinc/84/45/65/1422844565.db2.gz DUIBNIKSOGTYIM-UHFFFAOYSA-N -1 0 394.880 3.407 20 30 GGEDRM C[C@@H](Cc1nc2ccccc2s1)[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000154191732 1422852925 /nfs/dbraw/zinc/85/29/25/1422852925.db2.gz MRZWJWSFROAWAT-JTQLQIEISA-N -1 0 393.440 3.356 20 30 GGEDRM C=CCN(C)C(=O)c1ccc2c(c1)[n-]c(=S)n(CCc1ccccc1)c2=O ZINC000154203004 1422854610 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GGEDRM N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]c1cnn(CC(F)(F)F)c1 ZINC000154462764 1422891714 /nfs/dbraw/zinc/89/17/14/1422891714.db2.gz LGQHJOBVPLHYMR-UHFFFAOYSA-N -1 0 398.288 3.137 20 30 GGEDRM CC(C)(C)[C@@H](C#N)NC(=O)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1 ZINC000819898477 1429602602 /nfs/dbraw/zinc/60/26/02/1429602602.db2.gz HDTRAGJILWFUPP-GOSISDBHSA-N -1 0 390.447 3.114 20 30 GGEDRM CC(C)(C)C(=O)NCCc1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2)s1 ZINC000179828599 1429599458 /nfs/dbraw/zinc/59/94/58/1429599458.db2.gz ZWABRPBICXHQHV-UHFFFAOYSA-N -1 0 391.518 3.125 20 30 GGEDRM CC(C)(C)C(=O)NCCc1ccc(S(=O)(=O)[N-]c2cccc(C#N)c2)s1 ZINC000179829091 1429599522 /nfs/dbraw/zinc/59/95/22/1429599522.db2.gz SBKJVRMLMXJJMG-UHFFFAOYSA-N -1 0 391.518 3.125 20 30 GGEDRM Cn1ccnc1C(=O)C(C#N)=C([O-])c1ccn(-c2ccc(Cl)cc2Cl)n1 ZINC000179844065 1429607411 /nfs/dbraw/zinc/60/74/11/1429607411.db2.gz XXHCNCNRSHTUFG-NSHDSACASA-N -1 0 388.214 3.118 20 30 GGEDRM CN(CCC#N)C(=O)c1ccc(Oc2ccccc2-c2nn[n-]n2)c(Cl)c1 ZINC000825914502 1429610236 /nfs/dbraw/zinc/61/02/36/1429610236.db2.gz HUZLVDKFTBXFRF-UHFFFAOYSA-N -1 0 382.811 3.298 20 30 GGEDRM COc1ccc(CCNC(=O)C(C#N)=C([O-])c2ccc3c(c2)CCCC3)cc1 ZINC000154975346 1423097683 /nfs/dbraw/zinc/09/76/83/1423097683.db2.gz XFKHDGAQDAURCU-OAQYLSRUSA-N -1 0 376.456 3.255 20 30 GGEDRM COc1ccc(CCNC(=O)C(C#N)=C([O-])c2ccc(-n3cccc3)cc2)cc1 ZINC000154991698 1423102038 /nfs/dbraw/zinc/10/20/38/1423102038.db2.gz AKDZAEODTDFTAO-NRFANRHFSA-N -1 0 387.439 3.167 20 30 GGEDRM COc1ccc(CCNC(=O)C(C#N)=C([O-])c2cc(SC)ccc2C)cc1 ZINC000155001211 1423106866 /nfs/dbraw/zinc/10/68/66/1423106866.db2.gz LVCVVZDYZJZPFD-LJQANCHMSA-N -1 0 382.485 3.407 20 30 GGEDRM CCCOc1cccc(C([O-])=C(C#N)C(=O)NCCc2ccc(OC)cc2)c1 ZINC000155020006 1423120472 /nfs/dbraw/zinc/12/04/72/1423120472.db2.gz ZPFFRFWNQYPRDD-FQEVSTJZSA-N -1 0 380.444 3.165 20 30 GGEDRM COc1ccc(CNC(=O)C(C#N)=C([O-])c2cccc(C(F)(F)F)c2)cc1 ZINC000155030243 1423126122 /nfs/dbraw/zinc/12/61/22/1423126122.db2.gz AUOBDWWYYMKKCA-INIZCTEOSA-N -1 0 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1426148084 /nfs/dbraw/zinc/14/80/84/1426148084.db2.gz YJHPMUDWPZJGKE-UHFFFAOYSA-N -1 0 394.263 3.288 20 30 GGEDRM CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1cnn(-c2ccccc2F)c1 ZINC000172888760 1426240896 /nfs/dbraw/zinc/24/08/96/1426240896.db2.gz NQXHQDJGBLYPFI-UHFFFAOYSA-N -1 0 386.408 3.083 20 30 GGEDRM CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1F ZINC000172888751 1426241016 /nfs/dbraw/zinc/24/10/16/1426241016.db2.gz BTZAYDBAEZOJEU-UHFFFAOYSA-N -1 0 379.369 3.114 20 30 GGEDRM N#Cc1ccc(C(=O)NCc2cccc(-c3ccc(-c4nn[n-]n4)s3)c2)s1 ZINC000822823252 1426253333 /nfs/dbraw/zinc/25/33/33/1426253333.db2.gz NHQXJALEKZFVNT-UHFFFAOYSA-N -1 0 392.469 3.458 20 30 GGEDRM N#Cc1ccc(CNc2ccn(-c3ccc(Cl)cc3-c3nn[n-]n3)n2)c(F)c1 ZINC000826384904 1426279194 /nfs/dbraw/zinc/27/91/94/1426279194.db2.gz ORJCMEFFWHWLNC-UHFFFAOYSA-N -1 0 394.801 3.329 20 30 GGEDRM Cc1ncsc1C=CC(=O)c1cnn(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000822481863 1426293170 /nfs/dbraw/zinc/29/31/70/1426293170.db2.gz GIWNZEDECMQDLW-BQYQJAHWSA-N -1 0 377.433 3.022 20 30 GGEDRM O=c1c(-c2nn[n-]n2)cn(CC#Cc2ccc(C(F)(F)F)cc2)c2ccccc12 ZINC000823656769 1426298625 /nfs/dbraw/zinc/29/86/25/1426298625.db2.gz HHYFQQRKBPTOQT-UHFFFAOYSA-N -1 0 395.344 3.252 20 30 GGEDRM C#CCN(C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1)C1CCCC1 ZINC000819697561 1426300240 /nfs/dbraw/zinc/30/02/40/1426300240.db2.gz HZKJDHYQQQSONH-UHFFFAOYSA-N -1 0 388.431 3.072 20 30 GGEDRM N#C[C@@H](C(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1nc(-c2c(F)cccc2F)cs1 ZINC000826379485 1426301387 /nfs/dbraw/zinc/30/13/87/1426301387.db2.gz SQYOZUZYTGFQKA-VIFPVBQESA-N -1 0 397.370 3.087 20 30 GGEDRM N#Cc1ccc(-n2ccc(NCc3ccccc3-c3nnn[n-]3)n2)c(Cl)c1 ZINC000826384027 1426332753 /nfs/dbraw/zinc/33/27/53/1426332753.db2.gz CSRKXGWIALZEQA-UHFFFAOYSA-N -1 0 376.811 3.190 20 30 GGEDRM N#C[C@@H](NC(=O)c1sccc1-c1nn[n-]n1)c1ccc(Cl)c(Cl)c1 ZINC000737673668 1426356913 /nfs/dbraw/zinc/35/69/13/1426356913.db2.gz BYPDOTJRAIIMPS-LLVKDONJSA-N -1 0 379.232 3.230 20 30 GGEDRM CC(=O)Nc1ccc(C(C)=NOCc2cn3ccccc3c2-c2nn[n-]n2)cc1 ZINC000819817500 1426364439 /nfs/dbraw/zinc/36/44/39/1426364439.db2.gz JFXYIKLKGPGPFY-UHFFFAOYSA-N -1 0 389.419 3.019 20 30 GGEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C(F)(F)c1ccc(OC)cc1 ZINC000823909703 1426377540 /nfs/dbraw/zinc/37/75/40/1426377540.db2.gz NZGMXMNCQVJACT-UHFFFAOYSA-N -1 0 399.401 3.182 20 30 GGEDRM N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000822802229 1426398087 /nfs/dbraw/zinc/39/80/87/1426398087.db2.gz XPDAJCLNOIUNBU-AEFFLSMTSA-N -1 0 391.410 3.309 20 30 GGEDRM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)OCc1ccc(CC#N)cc1 ZINC000824206759 1426412454 /nfs/dbraw/zinc/41/24/54/1426412454.db2.gz IBBDBTUGBUCFCB-LJQANCHMSA-N -1 0 391.431 3.080 20 30 GGEDRM Clc1cc(-c2nn[n-]n2)cc(NN=Cc2ccc(Br)s2)n1 ZINC000826350280 1426428566 /nfs/dbraw/zinc/42/85/66/1426428566.db2.gz PGBRJRIGCUMNMV-UHFFFAOYSA-N -1 0 384.650 3.185 20 30 GGEDRM N#Cc1ccc(NC(=O)COc2cc(Cl)ccc2Cl)cc1-c1nn[n-]n1 ZINC000737716610 1426431467 /nfs/dbraw/zinc/43/14/67/1426431467.db2.gz SPSRSRMXBLJSMB-UHFFFAOYSA-N -1 0 389.202 3.063 20 30 GGEDRM N#Cc1cccc(-c2nnc(CSc3ccc(-c4nn[n-]n4)cc3F)o2)c1 ZINC000737721782 1426440422 /nfs/dbraw/zinc/44/04/22/1426440422.db2.gz CJNFOALOCJZQNE-UHFFFAOYSA-N -1 0 379.380 3.220 20 30 GGEDRM C=C[C@H](C)NC(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000819730261 1426475881 /nfs/dbraw/zinc/47/58/81/1426475881.db2.gz UHSPFZNHIFWCMP-LBPRGKRZSA-N -1 0 382.399 3.281 20 30 GGEDRM Cn1c(C=NNc2ccc(-c3nnn[n-]3)cc2)nc2cc(C(F)(F)F)ccc21 ZINC000822596839 1426482424 /nfs/dbraw/zinc/48/24/24/1426482424.db2.gz WDLDOCIMLDDDHR-UHFFFAOYSA-N -1 0 386.341 3.218 20 30 GGEDRM C[C@@]1(C#N)CCCN(c2c(-c3nn[n-]n3)cnc3ccc(OC(F)F)cc32)C1 ZINC000824776857 1426519607 /nfs/dbraw/zinc/51/96/07/1426519607.db2.gz DXOCOFZMKYHVOZ-SFHVURJKSA-N -1 0 385.378 3.146 20 30 GGEDRM O=C(C=Cc1cnc2ccc(-c3nn[n-]n3)cn12)c1ccc(-c2ccncc2)cc1 ZINC000822935423 1426527914 /nfs/dbraw/zinc/52/79/14/1426527914.db2.gz KMZPAJRTCWOVOC-SREVYHEPSA-N -1 0 393.410 3.473 20 30 GGEDRM C=CCn1c(=O)c2ccc(C(=O)Nc3cnn(CC4CC4)c3)cc2[n-]c1=S ZINC000173357518 1426532788 /nfs/dbraw/zinc/53/27/88/1426532788.db2.gz WBUQRGCLPFSUPD-UHFFFAOYSA-N -1 0 381.461 3.104 20 30 GGEDRM N#CC1(C(=O)Nc2ccn(-c3ccc(Cl)cc3-c3nn[n-]n3)n2)CCCCC1 ZINC000826380159 1426549372 /nfs/dbraw/zinc/54/93/72/1426549372.db2.gz PMMJBLUWUMTHCH-UHFFFAOYSA-N -1 0 396.842 3.118 20 30 GGEDRM Cc1cc(C#N)ccc1COC(=O)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(C)C ZINC000826257118 1426549588 /nfs/dbraw/zinc/54/95/88/1426549588.db2.gz OMEAAPKSGMRKBN-IBGZPJMESA-N -1 0 391.431 3.194 20 30 GGEDRM CC[C@H](C#N)NC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000736309591 1426567783 /nfs/dbraw/zinc/56/77/83/1426567783.db2.gz QGYRHQFNWFFJMX-CYBMUJFWSA-N -1 0 382.811 3.344 20 30 GGEDRM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1nc2ccccc2s1 ZINC000823914475 1426578782 /nfs/dbraw/zinc/57/87/82/1426578782.db2.gz JLEOVJBYQOTUQL-UHFFFAOYSA-N -1 0 376.445 3.305 20 30 GGEDRM Cn1nc(C(F)(F)F)c(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)c1Cl ZINC000826366257 1426608342 /nfs/dbraw/zinc/60/83/42/1426608342.db2.gz ZLHINWLYPRUBGV-WAYWQWQTSA-N -1 0 382.733 3.169 20 30 GGEDRM CN(C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825829932 1426639217 /nfs/dbraw/zinc/63/92/17/1426639217.db2.gz KZKKRRLTOKCPEN-UHFFFAOYSA-N -1 0 397.398 3.202 20 30 GGEDRM O=C(C=Cc1cc(O)ccc1Br)c1ccc(-c2nn[n-]n2)cc1F ZINC000826400083 1426651530 /nfs/dbraw/zinc/65/15/30/1426651530.db2.gz OHXRDSARYHNUMO-KXFIGUGUSA-N -1 0 389.184 3.370 20 30 GGEDRM C[C@H](NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824489560 1426661732 /nfs/dbraw/zinc/66/17/32/1426661732.db2.gz LLJSNLCKILCPLU-HNNXBMFYSA-N -1 0 399.458 3.298 20 30 GGEDRM COc1cc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)cc(Cl)c1O ZINC000821713053 1426666623 /nfs/dbraw/zinc/66/66/23/1426666623.db2.gz QUFWGWQTBZQXDK-SDQBBNPISA-N -1 0 382.807 3.447 20 30 GGEDRM N#Cc1csc(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)nc2)c1 ZINC000822845664 1426689872 /nfs/dbraw/zinc/68/98/72/1426689872.db2.gz BFHDCDAWTAMGJD-UHFFFAOYSA-N -1 0 389.400 3.239 20 30 GGEDRM O=C1c2ccc(Br)cc2OCC1=Cc1ccc(-c2nn[n-]n2)cc1 ZINC000826475916 1426696288 /nfs/dbraw/zinc/69/62/88/1426696288.db2.gz WBNPLWASPUTXDG-KPKJPENVSA-N -1 0 383.205 3.288 20 30 GGEDRM C#CCN(C(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1)C1CCCC1 ZINC000819698033 1426697064 /nfs/dbraw/zinc/69/70/64/1426697064.db2.gz QIBPEOTVYPYHMN-UHFFFAOYSA-N -1 0 391.431 3.057 20 30 GGEDRM N#C[C@H](NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)C1CCCCC1 ZINC000822801491 1426739656 /nfs/dbraw/zinc/73/96/56/1426739656.db2.gz KANXGNFIDLSOQZ-SFHVURJKSA-N -1 0 382.468 3.004 20 30 GGEDRM Cc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc(C)c1OC(F)F ZINC000737236577 1426744504 /nfs/dbraw/zinc/74/45/04/1426744504.db2.gz OAGBIBSPXUKKIM-UHFFFAOYSA-N -1 0 384.346 3.209 20 30 GGEDRM Cc1cc(C)c(-c2nn[n-]n2)c(SCc2nnc(-c3cccc(C#N)c3)o2)n1 ZINC000737240441 1426773252 /nfs/dbraw/zinc/77/32/52/1426773252.db2.gz KQUXEMSWAYUUTH-UHFFFAOYSA-N -1 0 390.432 3.093 20 30 GGEDRM CC[C@@H](C#N)Oc1cccc(CNc2c(-c3nn[n-]n3)cnc3ccccc32)c1 ZINC000820843003 1426781571 /nfs/dbraw/zinc/78/15/71/1426781571.db2.gz RZONNDAFIKUTER-HNNXBMFYSA-N -1 0 385.431 3.130 20 30 GGEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)[C@H](C)n1nnc(-c2ccccc2)n1 ZINC000173915870 1426891043 /nfs/dbraw/zinc/89/10/43/1426891043.db2.gz NUWWPAMDRQVFMT-WMLDXEAASA-N -1 0 398.426 3.283 20 30 GGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1nc(C(C)C)n(-c2ccccc2F)n1 ZINC000173943233 1426902719 /nfs/dbraw/zinc/90/27/19/1426902719.db2.gz LSOWRZQUEQLGIL-AWEZNQCLSA-N -1 0 385.443 3.159 20 30 GGEDRM CC(C)CC(=O)Nc1ccc(C([O-])=C(C#N)C(=O)NCc2ccccc2)cc1F ZINC000173955077 1426908419 /nfs/dbraw/zinc/90/84/19/1426908419.db2.gz STSNALGKQYNRJV-KRWDZBQOSA-N -1 0 395.434 3.449 20 30 GGEDRM CC(C)=CC(=O)NCc1ccc(C([O-])=C(C#N)C(=O)NC2CCCCC2)cc1 ZINC000173960564 1426911295 /nfs/dbraw/zinc/91/12/95/1426911295.db2.gz SEDKUNOTBZIDKS-LJQANCHMSA-N -1 0 381.476 3.040 20 30 GGEDRM COc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)c(Cl)c1OC ZINC000826190843 1426917432 /nfs/dbraw/zinc/91/74/32/1426917432.db2.gz PFJJSPHZJYMICN-HYXAFXHYSA-N -1 0 376.825 3.495 20 30 GGEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)CCCCOc2cccc(C#N)c2)c(F)c1 ZINC000173977049 1426921640 /nfs/dbraw/zinc/92/16/40/1426921640.db2.gz ZPBYUISDCKTWBC-UHFFFAOYSA-N -1 0 390.436 3.060 20 30 GGEDRM C[C@H](NC(=O)Nc1cc(C#N)ccc1OC(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC000820372522 1426923936 /nfs/dbraw/zinc/92/39/36/1426923936.db2.gz AASAXDJDEZQKQC-JTQLQIEISA-N -1 0 399.361 3.222 20 30 GGEDRM N#Cc1cccc(S[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)c1 ZINC000826387433 1426947983 /nfs/dbraw/zinc/94/79/83/1426947983.db2.gz VDCNWMIPBXPVCB-KRWDZBQOSA-N -1 0 376.445 3.026 20 30 GGEDRM Cn1cc(C=CC(=O)c2ccc(Cl)nc2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826359440 1426953003 /nfs/dbraw/zinc/95/30/03/1426953003.db2.gz HEYOXGIXOVECAN-VURMDHGXSA-N -1 0 391.822 3.212 20 30 GGEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000735418600 1426998790 /nfs/dbraw/zinc/99/87/90/1426998790.db2.gz FZBLKNFGHAAVJW-IAGOWNOFSA-N -1 0 395.413 3.463 20 30 GGEDRM Cc1ccc(NC(=S)NN=C2CCCc3cc(-c4nn[n-]n4)ccc32)cc1 ZINC000822255028 1427003193 /nfs/dbraw/zinc/00/31/93/1427003193.db2.gz SSOAKTHOYDAGMZ-UHFFFAOYSA-N -1 0 377.477 3.202 20 30 GGEDRM N#Cc1cccc(OCCSCCCOc2cccc(-c3nn[n-]n3)c2)c1 ZINC000822837328 1427016113 /nfs/dbraw/zinc/01/61/13/1427016113.db2.gz KBOGAAFLNKVYKU-UHFFFAOYSA-N -1 0 381.461 3.319 20 30 GGEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)cc1Cl ZINC000174218327 1427055838 /nfs/dbraw/zinc/05/58/38/1427055838.db2.gz IZZKIQOKINYXNX-CHWSQXEVSA-N -1 0 396.802 3.098 20 30 GGEDRM C[C@@H](CCc1cccc(F)c1)C(=O)[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000174218488 1427056151 /nfs/dbraw/zinc/05/61/51/1427056151.db2.gz HPGLGDFSAPAAER-LBPRGKRZSA-N -1 0 394.855 3.425 20 30 GGEDRM COc1cc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)cc(OC)c1OC ZINC000821713225 1427086584 /nfs/dbraw/zinc/08/65/84/1427086584.db2.gz RZSGXYSZXNVLFH-RIYZIHGNSA-N -1 0 392.415 3.105 20 30 GGEDRM C=CCOCCCC(=O)[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000174341776 1427110639 /nfs/dbraw/zinc/11/06/39/1427110639.db2.gz OGXIJLLDAXHGHC-UHFFFAOYSA-N -1 0 385.791 3.147 20 30 GGEDRM CN(CCC#N)C(=O)c1cccc(Oc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000736790737 1427159774 /nfs/dbraw/zinc/15/97/74/1427159774.db2.gz IWBJVPDVLVHVDC-UHFFFAOYSA-N -1 0 382.811 3.298 20 30 GGEDRM COc1ccc2c(c1)OCC2=NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000821854455 1427162727 /nfs/dbraw/zinc/16/27/27/1427162727.db2.gz KAEMYQGBOYMYAN-UHFFFAOYSA-N -1 0 390.325 3.103 20 30 GGEDRM CC[C@@H](C#N)Oc1cccc(CNc2snc(Cl)c2-c2nn[n-]n2)c1 ZINC000736309307 1427186708 /nfs/dbraw/zinc/18/67/08/1427186708.db2.gz NJOHNJXDSQGEDN-JTQLQIEISA-N -1 0 375.845 3.270 20 30 GGEDRM Cc1ccc([C@H]2OCCC[C@H]2C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1 ZINC000822233150 1427190026 /nfs/dbraw/zinc/19/00/26/1427190026.db2.gz ITRQTKOEWKZYQP-IEBWSBKVSA-N -1 0 388.431 3.153 20 30 GGEDRM FC(F)(F)COc1cccc(CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)c1 ZINC000826367711 1427206061 /nfs/dbraw/zinc/20/60/61/1427206061.db2.gz LDONNDMIEQRVRN-UHFFFAOYSA-N -1 0 397.748 3.302 20 30 GGEDRM CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820032378 1427213425 /nfs/dbraw/zinc/21/34/25/1427213425.db2.gz MWLZHNDKICROMB-KRWDZBQOSA-N -1 0 396.838 3.434 20 30 GGEDRM Brc1ccc2[nH]cc(C=NNCc3ccc(-c4nn[n-]n4)cc3)c2c1 ZINC000819687992 1427224642 /nfs/dbraw/zinc/22/46/42/1427224642.db2.gz ANJMBBYDVLOABZ-UHFFFAOYSA-N -1 0 396.252 3.234 20 30 GGEDRM CCC[C@@H](C#N)NC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000821009711 1427264284 /nfs/dbraw/zinc/26/42/84/1427264284.db2.gz ZHSSEUAAUUPYFF-AWEZNQCLSA-N -1 0 378.461 3.440 20 30 GGEDRM N#Cc1ccc(Oc2ccc(Br)cc2-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000822832725 1427264850 /nfs/dbraw/zinc/26/48/50/1427264850.db2.gz FMVKBGZHPMESDD-UHFFFAOYSA-N -1 0 387.153 3.201 20 30 GGEDRM CCCOc1ccc(C=NNCc2ccc(-c3nn[n-]n3)cc2)cc1OCC ZINC000821133605 1427270494 /nfs/dbraw/zinc/27/04/94/1427270494.db2.gz BUVUEAGSRNLHJK-UHFFFAOYSA-N -1 0 380.452 3.178 20 30 GGEDRM COc1ccc(CNc2ccc(Br)cc2C#N)cc1-c1nn[n-]n1 ZINC000826203674 1427279449 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C#CCCCCCC(=O)Oc1c(Br)cc(-c2nn[n-]n2)cc1OC ZINC000823841754 1427467518 /nfs/dbraw/zinc/46/75/18/1427467518.db2.gz SEXGXLKLYOFWOL-UHFFFAOYSA-N -1 0 393.241 3.127 20 30 GGEDRM N#Cc1ccc(OC2CCN(c3cc(Cl)ccc3-c3nn[n-]n3)CC2)cc1 ZINC000737721573 1427468784 /nfs/dbraw/zinc/46/87/84/1427468784.db2.gz LMFIFPVCNVYOAG-UHFFFAOYSA-N -1 0 380.839 3.440 20 30 GGEDRM O=[N+]([O-])c1cc(C=NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cs1 ZINC000738361118 1427486007 /nfs/dbraw/zinc/48/60/07/1427486007.db2.gz UZWCQTVJJBUBHS-UHFFFAOYSA-N -1 0 383.315 3.301 20 30 GGEDRM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C#N)c(C(F)(F)F)c2)o1 ZINC000175023828 1427505203 /nfs/dbraw/zinc/50/52/03/1427505203.db2.gz SATLHXUEYADIAG-UHFFFAOYSA-N -1 0 388.323 3.148 20 30 GGEDRM O=C(C#Cc1ccccc1)Nc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000175078487 1427534555 /nfs/dbraw/zinc/53/45/55/1427534555.db2.gz UHKHWZUHHWBDBP-UHFFFAOYSA-N -1 0 376.437 3.478 20 30 GGEDRM N#Cc1ccc(Oc2ccc(NC(=O)c3ccc(-c4nnn[n-]4)cn3)cc2)cc1 ZINC000737721021 1427546894 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3.146 20 30 GGEDRM COc1cc(C)c(C(C)N=Nc2oc(C(C)C)nc2-c2nn[n-]n2)cc1OC ZINC000737040382 1427618967 /nfs/dbraw/zinc/61/89/67/1427618967.db2.gz PDIYFVSHPMOVOM-UHFFFAOYSA-N -1 0 385.428 3.140 20 30 GGEDRM Fc1cc(F)c(NN=Cc2ccccc2-c2nn[n-]n2)c(Br)c1 ZINC000826373055 1427620314 /nfs/dbraw/zinc/62/03/14/1427620314.db2.gz XYIVUYARVRCKSC-UHFFFAOYSA-N -1 0 379.168 3.353 20 30 GGEDRM CC(C)NC(=O)Nc1ccc(C(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000824305077 1427629144 /nfs/dbraw/zinc/62/91/44/1427629144.db2.gz KLCDMJHGKOKXAR-XFXZXTDPSA-N -1 0 376.420 3.293 20 30 GGEDRM N#Cc1ccc(S[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)cc1 ZINC000826386016 1427638043 /nfs/dbraw/zinc/63/80/43/1427638043.db2.gz LNKITZGBTOGBFR-QGZVFWFLSA-N -1 0 376.445 3.026 20 30 GGEDRM O=C1c2cccc(Br)c2OCC1=Cc1ccccc1-c1nn[n-]n1 ZINC000826475871 1427667041 /nfs/dbraw/zinc/66/70/41/1427667041.db2.gz UHOXEFNJYLEGJL-DHZHZOJOSA-N -1 0 383.205 3.288 20 30 GGEDRM COc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2)cc1Cn1cccn1 ZINC000821770885 1427702917 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378.889 3.055 20 30 GGEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1cccc(OCCF)c1 ZINC000819745375 1427802736 /nfs/dbraw/zinc/80/27/36/1427802736.db2.gz ACDYYQJYZLZVLY-UHFFFAOYSA-N -1 0 396.426 3.435 20 30 GGEDRM CC(C)(Oc1cccc(Cl)c1)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000735679559 1427806026 /nfs/dbraw/zinc/80/60/26/1427806026.db2.gz KKRQEQZETAQMFX-UHFFFAOYSA-N -1 0 382.811 3.188 20 30 GGEDRM Cc1c(C(=O)C=Cc2ccc(C)c([N+](=O)[O-])c2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737328466 1427823819 /nfs/dbraw/zinc/82/38/19/1427823819.db2.gz DAKJPHMFTWWENY-BQYQJAHWSA-N -1 0 378.392 3.036 20 30 GGEDRM N#CCOc1ccc(CNc2ccc(-c3nn[n-]n3)cc2Br)cc1 ZINC000826381818 1427845156 /nfs/dbraw/zinc/84/51/56/1427845156.db2.gz AFKSRHHIZLAUOR-UHFFFAOYSA-N -1 0 385.225 3.144 20 30 GGEDRM CCOc1ccc([N+](=O)[O-])cc1C=CC(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000825642731 1427848030 /nfs/dbraw/zinc/84/80/30/1427848030.db2.gz ADLXAWBQKHOPPO-QPJJXVBHSA-N -1 0 383.339 3.209 20 30 GGEDRM Fc1ccc(-c2nn[n-]n2)c(CN2CCC(C(F)(F)F)(C(F)(F)F)C2)c1 ZINC000822758510 1427853453 /nfs/dbraw/zinc/85/34/53/1427853453.db2.gz QGUQGWAYLNCDDG-UHFFFAOYSA-N -1 0 383.271 3.323 20 30 GGEDRM CC[C@@H]1CC[C@H](C(=O)[C@@H](C#N)c2nc(-c3ccc(-c4nn[n-]n4)cc3)cs2)O1 ZINC000820971476 1427898156 /nfs/dbraw/zinc/89/81/56/1427898156.db2.gz CNDVBAPQWLSCLU-IIAWOOMASA-N -1 0 394.460 3.124 20 30 GGEDRM COc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc(OC)c1C(C)C ZINC000826177723 1427929465 /nfs/dbraw/zinc/92/94/65/1427929465.db2.gz RTJGNEZUYNJEFI-UHFFFAOYSA-N -1 0 392.419 3.131 20 30 GGEDRM CCc1nnc(NCc2cccc(O[C@H](C#N)CC)c2)c(-c2nn[n-]n2)c1CC ZINC000821542381 1427951873 /nfs/dbraw/zinc/95/18/73/1427951873.db2.gz QIQVSCBTCYQQRC-AWEZNQCLSA-N -1 0 392.467 3.075 20 30 GGEDRM N#CCN(C(=O)CSc1cccc(Cl)c1-c1nn[n-]n1)c1ccccc1 ZINC000826382230 1427986236 /nfs/dbraw/zinc/98/62/36/1427986236.db2.gz UVBNKBKJYFUGAS-UHFFFAOYSA-N -1 0 384.852 3.169 20 30 GGEDRM Cc1ccc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)c(Br)c1 ZINC000826282577 1427997057 /nfs/dbraw/zinc/99/70/57/1427997057.db2.gz VPIWQIMMMGMHNT-UHFFFAOYSA-N -1 0 383.209 3.062 20 30 GGEDRM Cc1cc(CCCC(=O)[N-]S(=O)(=O)Cc2cccc(C#N)c2)c(C)s1 ZINC000175961397 1427999583 /nfs/dbraw/zinc/99/95/83/1427999583.db2.gz RCLYUVDMPYIWOJ-UHFFFAOYSA-N -1 0 376.503 3.206 20 30 GGEDRM C=CCn1c(SCc2cc(-c3nn[n-]n3)ccc2OC)nnc1-c1ccco1 ZINC000819765423 1428131080 /nfs/dbraw/zinc/13/10/80/1428131080.db2.gz PWMWETCLJNCPBN-UHFFFAOYSA-N -1 0 395.448 3.205 20 30 GGEDRM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(C#N)ccc2C)c(Cl)cc1F ZINC000176182938 1428147367 /nfs/dbraw/zinc/14/73/67/1428147367.db2.gz OBGVXBPETSXDMK-UHFFFAOYSA-N -1 0 382.800 3.247 20 30 GGEDRM C=C(C)COc1cccc(NC(=O)NCc2ccc(OC)c(-c3nn[n-]n3)c2)c1 ZINC000823878085 1428157382 /nfs/dbraw/zinc/15/73/82/1428157382.db2.gz OCSJRBVWCGYCLA-UHFFFAOYSA-N -1 0 394.435 3.152 20 30 GGEDRM Cc1cc(C(=O)N(CCC#N)CC2CC2)ccc1[N-]S(=O)(=O)C(F)(F)F ZINC000176224623 1428177765 /nfs/dbraw/zinc/17/77/65/1428177765.db2.gz JZZHFYOYHQYPOW-UHFFFAOYSA-N -1 0 389.399 3.022 20 30 GGEDRM CC(C)c1csc([C@H](C#N)C(=O)[C@H](C)Oc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000820518507 1428199103 /nfs/dbraw/zinc/19/91/03/1428199103.db2.gz FYXLGXXCRQPPOX-SMDDNHRTSA-N -1 0 382.449 3.090 20 30 GGEDRM N#Cc1ccc(SCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)c(F)c1 ZINC000737721637 1429859508 /nfs/dbraw/zinc/85/95/08/1429859508.db2.gz AZZRUFOLQHOAQP-UHFFFAOYSA-N -1 0 379.380 3.220 20 30 GGEDRM CC[C@H](C#N)Oc1cccc(CNC(=S)Nc2ccccc2-c2nn[n-]n2)c1 ZINC000736309797 1429897929 /nfs/dbraw/zinc/89/79/29/1429897929.db2.gz RFQLHDYSHATWPW-CQSZACIVSA-N -1 0 393.476 3.034 20 30 GGEDRM C=C[C@@H](CC(=O)O[C@H](C)C(=O)Nc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000823883555 1429904232 /nfs/dbraw/zinc/90/42/32/1429904232.db2.gz UAMJTMVDSUEUMW-CABCVRRESA-N -1 0 391.431 3.097 20 30 GGEDRM Cc1c(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)nnn1-c1ccc(Cl)cc1 ZINC000822015514 1429952093 /nfs/dbraw/zinc/95/20/93/1429952093.db2.gz LKCLWKMNPRPWPF-SOFGYWHQSA-N -1 0 397.851 3.367 20 30 GGEDRM CC(C)c1ccc(OCCC(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1 ZINC000735927759 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ZINC000190819934 1432494190 /nfs/dbraw/zinc/49/41/90/1432494190.db2.gz MGSLCMBIOZQKJB-UHFFFAOYSA-N -1 0 391.349 3.372 20 30 GGEDRM Cc1nc(CC(C)C)oc1C([O-])=C(C#N)c1nc(N)nc(Nc2ccccc2)n1 ZINC000190829802 1432498589 /nfs/dbraw/zinc/49/85/89/1432498589.db2.gz BLOBOXVGIJBFTJ-CQSZACIVSA-N -1 0 391.435 3.182 20 30 GGEDRM COc1ccc(Cn2cc(C([O-])=C(C#N)c3cnc4ccccc4n3)cn2)cc1 ZINC000190934649 1432532951 /nfs/dbraw/zinc/53/29/51/1432532951.db2.gz AOKBBZKYXRQRBF-GOSISDBHSA-N -1 0 383.411 3.373 20 30 GGEDRM COc1ccc(Cn2cc(C([O-])=C(C#N)c3cnc4ccccc4n3)cn2)cc1 ZINC000190934630 1432533080 /nfs/dbraw/zinc/53/30/80/1432533080.db2.gz AOKBBZKYXRQRBF-SFHVURJKSA-N -1 0 383.411 3.373 20 30 GGEDRM Cc1nc(COc2ccccc2C([O-])=C(C#N)c2cnc3ccccc3n2)no1 ZINC000190937714 1432533462 /nfs/dbraw/zinc/53/34/62/1432533462.db2.gz RUDHQMFHJBFZBY-OAHLLOKOSA-N -1 0 385.383 3.390 20 30 GGEDRM CCc1ccc(S(C)(=O)=O)cc1C([O-])=C(C#N)c1cnc2ccccc2n1 ZINC000190972620 1432540654 /nfs/dbraw/zinc/54/06/54/1432540654.db2.gz ANFRQXKOHLGNCU-INIZCTEOSA-N -1 0 379.441 3.086 20 30 GGEDRM COCc1nnc(-c2cccc(C([O-])=C(C#N)c3cnc4ccccc4n3)c2)o1 ZINC000190971789 1432540780 /nfs/dbraw/zinc/54/07/80/1432540780.db2.gz IPOMHAXZMOHHEV-OAHLLOKOSA-N -1 0 385.383 3.316 20 30 GGEDRM CCCc1c([N-]S(=O)(=O)c2ccc(C#N)nc2)cnn1-c1ccc(F)cc1 ZINC000191202561 1432590271 /nfs/dbraw/zinc/59/02/71/1432590271.db2.gz MROLSVWQMFTKLK-UHFFFAOYSA-N -1 0 385.424 3.031 20 30 GGEDRM CC(C)N(C)c1ccc(/C=C/C(=O)c2ccc([O-])c(CN3CCOCC3)c2)cn1 ZINC000191243817 1432602944 /nfs/dbraw/zinc/60/29/44/1432602944.db2.gz JGSVIWXAFGQTHM-QPJJXVBHSA-N -1 0 395.503 3.360 20 30 GGEDRM O=C(/C=C/c1nccn1-c1ccccc1)c1ccc([O-])c(CN2CCOCC2)c1 ZINC000191243949 1432603570 /nfs/dbraw/zinc/60/35/70/1432603570.db2.gz CSBPTGOARGHAJP-CMDGGOBGSA-N -1 0 389.455 3.306 20 30 GGEDRM Cc1cn(-c2c(F)cccc2F)nc1C([O-])=C(C#N)c1nnc2n1CCCCC2 ZINC000191481033 1432669249 /nfs/dbraw/zinc/66/92/49/1432669249.db2.gz DGNBUVNOUTZYKT-CYBMUJFWSA-N -1 0 396.401 3.267 20 30 GGEDRM N#Cc1ccc(CSCC(=O)N[C@H](CCC(=O)[O-])Cc2ccccc2)cc1 ZINC000191519590 1432677849 /nfs/dbraw/zinc/67/78/49/1432677849.db2.gz QXFVFXSNLSFQGW-LJQANCHMSA-N -1 0 382.485 3.384 20 30 GGEDRM C=C[C@H](CC(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCCC(=O)N2)c1ccccc1 ZINC000191674403 1432703460 /nfs/dbraw/zinc/70/34/60/1432703460.db2.gz XMSCNPUZVNOWKJ-OAHLLOKOSA-N -1 0 398.484 3.126 20 30 GGEDRM C=CCN(CCOC)C(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000191975207 1432772901 /nfs/dbraw/zinc/77/29/01/1432772901.db2.gz IUPCAJFYICQPSF-UHFFFAOYSA-N -1 0 388.489 3.070 20 30 GGEDRM C=CCN(CCOC)C(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cc2)c1 ZINC000191979128 1432773727 /nfs/dbraw/zinc/77/37/27/1432773727.db2.gz LIBQEDMYGYKVGX-UHFFFAOYSA-N -1 0 388.489 3.070 20 30 GGEDRM C=CCn1c(=O)c2ccc(C(=O)N3c4ccccc4C[C@@H]3C)cc2[n-]c1=S ZINC000192625711 1432867942 /nfs/dbraw/zinc/86/79/42/1432867942.db2.gz BZTMMISUPLGASU-ZDUSSCGKSA-N -1 0 377.469 3.463 20 30 GGEDRM CCCCCCC[C@]1(C)NC(=O)N([N-]C(=O)c2coc(C3CCC3)n2)C1=O ZINC000193132239 1432941827 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3.056 20 30 GGEDRM CSc1ncc(Cl)c(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2)n1 ZINC000193397659 1432990873 /nfs/dbraw/zinc/99/08/73/1432990873.db2.gz UZZKDIBRBIWNDO-JTQLQIEISA-N -1 0 381.244 3.466 20 30 GGEDRM COCCNC(=O)C(C#N)=C([O-])c1ccc(-c2nc3ccccc3s2)s1 ZINC000193412944 1432993831 /nfs/dbraw/zinc/99/38/31/1432993831.db2.gz GEMGXVBAJRPGAE-LLVKDONJSA-N -1 0 385.470 3.110 20 30 GGEDRM Cc1nn(-c2ccc(Cl)cc2)c(C)c1C=CC([O-])=C1C(=O)C=C(C)OC1=O ZINC000193443166 1432999994 /nfs/dbraw/zinc/99/99/94/1432999994.db2.gz RCARLNLRTLNWMS-CSHXORCISA-N -1 0 384.819 3.371 20 30 GGEDRM COc1ccc(CCNC(=O)C(C#N)=C([O-])c2ccc(Cl)s2)cc1OC ZINC000193455406 1433002128 /nfs/dbraw/zinc/00/21/28/1433002128.db2.gz DAJVUOGOLWREER-LBPRGKRZSA-N -1 0 392.864 3.100 20 30 GGEDRM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1cc(-c2ccc(C)o2)[nH]n1 ZINC000193458435 1433002606 /nfs/dbraw/zinc/00/26/06/1433002606.db2.gz OMJNGIGIGFLAIJ-ZDUSSCGKSA-N -1 0 378.388 3.338 20 30 GGEDRM COCCCNC(=O)C(C#N)=C([O-])c1cc(C)n(-c2cccc(Cl)c2)c1C ZINC000193606554 1433027973 /nfs/dbraw/zinc/02/79/73/1433027973.db2.gz WEPVYTBDWDETGM-SFHVURJKSA-N -1 0 387.867 3.223 20 30 GGEDRM CC(=Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000193608958 1433028229 /nfs/dbraw/zinc/02/82/29/1433028229.db2.gz DKTXUKXBBIQDKT-UITAMQMPSA-N -1 0 387.230 3.398 20 30 GGEDRM CC(=O)NCCc1ccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C#N)cc2)s1 ZINC000193704905 1433043751 /nfs/dbraw/zinc/04/37/51/1433043751.db2.gz YPFWAEVPGLEQNQ-UHFFFAOYSA-N -1 0 391.518 3.029 20 30 GGEDRM N#Cc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)cc1 ZINC000194135765 1433123596 /nfs/dbraw/zinc/12/35/96/1433123596.db2.gz ZTWFIOWFEAOKRJ-UHFFFAOYSA-N -1 0 382.195 3.030 20 30 GGEDRM C=CCn1c(=O)c2ccc(C(=O)N3CCOc4cc(F)ccc43)cc2[n-]c1=S ZINC000194192913 1433135624 /nfs/dbraw/zinc/13/56/24/1433135624.db2.gz BEFZFKDKDYMQRZ-UHFFFAOYSA-N -1 0 397.431 3.050 20 30 GGEDRM C=CCn1c(=O)c2ccc(C(=O)N3Cc4ccccc4C[C@H]3C)cc2[n-]c1=S ZINC000194198289 1433136991 /nfs/dbraw/zinc/13/69/91/1433136991.db2.gz ZHNYIFIGNKZIRC-CQSZACIVSA-N -1 0 391.496 3.458 20 30 GGEDRM C=CCn1c(=O)c2ccc(C(=O)N3CCCc4cccc(O)c43)cc2[n-]c1=S ZINC000194223410 1433142494 /nfs/dbraw/zinc/14/24/94/1433142494.db2.gz LBQSRZNRTUSWMP-UHFFFAOYSA-N -1 0 393.468 3.170 20 30 GGEDRM N#CC1(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)CCCCC1 ZINC000194313195 1433159773 /nfs/dbraw/zinc/15/97/73/1433159773.db2.gz QHBRZQSFVQXDKE-UHFFFAOYSA-N -1 0 390.490 3.356 20 30 GGEDRM CCCCCCC[C@]1(C)NC(=O)N([N-]C(=O)c2cnn(C(C)(C)C)c2C)C1=O ZINC000194360898 1433166874 /nfs/dbraw/zinc/16/68/74/1433166874.db2.gz DXSIBVDOJDQBPH-FQEVSTJZSA-N -1 0 391.516 3.262 20 30 GGEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1nnc(Cc2ccc(Cl)cc2)o1 ZINC000194819947 1433240251 /nfs/dbraw/zinc/24/02/51/1433240251.db2.gz KKUPFSRUZMOAIF-UHFFFAOYSA-N -1 0 388.836 3.295 20 30 GGEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1nnc(C[C@@H](C)CC(C)(C)C)o1 ZINC000194881605 1433255319 /nfs/dbraw/zinc/25/53/19/1433255319.db2.gz HOKUCKQNQRANKO-GFCCVEGCSA-N -1 0 392.481 3.365 20 30 GGEDRM Cc1nc(C(=O)Nc2ccccc2[N-]S(=O)(=O)c2ccccc2)ccc1C#N ZINC000194898554 1433260375 /nfs/dbraw/zinc/26/03/75/1433260375.db2.gz IMHAKEZXFMSHHI-UHFFFAOYSA-N -1 0 392.440 3.315 20 30 GGEDRM COc1ccccc1-c1nnc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)o1 ZINC000194914219 1433263914 /nfs/dbraw/zinc/26/39/14/1433263914.db2.gz WHLIOOCGWVDTER-UHFFFAOYSA-N -1 0 390.808 3.071 20 30 GGEDRM CC[C@H](c1nnc([N-]S(=O)(=O)c2ccc(C#N)cc2OC)o1)c1ccccc1 ZINC000194955976 1433272084 /nfs/dbraw/zinc/27/20/84/1433272084.db2.gz XOZCUWZWTBMTSK-HNNXBMFYSA-N -1 0 398.444 3.293 20 30 GGEDRM C=CCOc1ccc(C=CC(=O)Nc2ccc(-c3nc(=O)o[n-]3)cc2)cc1OC ZINC000195076150 1433289262 /nfs/dbraw/zinc/28/92/62/1433289262.db2.gz ZLIWSOBSISTIOL-VZUCSPMQSA-N -1 0 393.399 3.255 20 30 GGEDRM Cc1c(C([O-])=C(C#N)c2nc3ccccc3n2C)nnn1Cc1ccc(F)cc1 ZINC000195261262 1433312838 /nfs/dbraw/zinc/31/28/38/1433312838.db2.gz RKMAIGVRTWHXEC-MRXNPFEDSA-N -1 0 388.406 3.151 20 30 GGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(OCc3ccc(F)cc3)c2)cn1 ZINC000195441496 1433329802 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20 30 GGEDRM N#Cc1cccc(CS(=O)(=O)[N-]C(=O)c2ccc(-c3ccccc3F)o2)c1 ZINC000195496675 1433336872 /nfs/dbraw/zinc/33/68/72/1433336872.db2.gz BHRINJSJPUNYDI-UHFFFAOYSA-N -1 0 384.388 3.217 20 30 GGEDRM Cc1cc(OCC(=O)[N-]S(=O)(=O)Cc2cccc(C#N)c2)ccc1C(C)C ZINC000195496534 1433336883 /nfs/dbraw/zinc/33/68/83/1433336883.db2.gz TUWNFYAKRBLELC-UHFFFAOYSA-N -1 0 386.473 3.015 20 30 GGEDRM COCCNC(=O)C(C#N)=C([O-])c1cc(C)n(-c2cccc(C(C)C)c2)c1C ZINC000195659473 1433343988 /nfs/dbraw/zinc/34/39/88/1433343988.db2.gz JEXYLTIATOPFPT-HXUWFJFHSA-N -1 0 381.476 3.303 20 30 GGEDRM COc1ccc(C(=O)/C=C\c2cc(OC)c(OC)c(OC)c2)cc1CC(=O)[O-] ZINC000213551141 1433360032 /nfs/dbraw/zinc/36/00/32/1433360032.db2.gz IKRVTUYNJJFNQU-ALCCZGGFSA-N -1 0 386.400 3.244 20 30 GGEDRM CC(=O)NCCCCCC(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC000236644080 1433375072 /nfs/dbraw/zinc/37/50/72/1433375072.db2.gz WTMGELSNTFRBJD-UHFFFAOYSA-N -1 0 392.455 3.420 20 30 GGEDRM C[C@H](Oc1ccccc1C#N)C(=O)N[C@H](CC(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000237681174 1433416705 /nfs/dbraw/zinc/41/67/05/1433416705.db2.gz PGGOFUUXVAWSMP-MEDUHNTESA-N -1 0 390.798 3.450 20 30 GGEDRM C[C@@H]1CN(c2ccc(C([O-])=C(C#N)c3cnc4ccccc4n3)cn2)C[C@H](C)O1 ZINC000248893454 1433828170 /nfs/dbraw/zinc/82/81/70/1433828170.db2.gz SNTWKQYZTNCLKC-HLLBOEOZSA-N -1 0 387.443 3.128 20 30 GGEDRM CCN(Cc1ccccc1)c1ccc(C=Nn2c(=O)c(C)n[n-]c2=S)cc1 ZINC000254488797 1433871253 /nfs/dbraw/zinc/87/12/53/1433871253.db2.gz JAVVGHRTJPCKIN-UHFFFAOYSA-N -1 0 379.489 3.144 20 30 GGEDRM COc1ccc(C(=O)/C=C\c2ccc([O-])c([N+](=O)[O-])c2)cc1Cn1cccn1 ZINC000254979550 1433873420 /nfs/dbraw/zinc/87/34/20/1433873420.db2.gz CUOZXEVZWRLZTP-UTCJRWHESA-N -1 0 379.372 3.450 20 30 GGEDRM CC(C)(C)NS(=O)(=O)c1cc(N=Cc2cc([N+](=O)[O-])ccc2[O-])ccc1F ZINC000255009274 1433874167 /nfs/dbraw/zinc/87/41/67/1433874167.db2.gz REZFSRRZQLWPRN-UHFFFAOYSA-N -1 0 395.412 3.267 20 30 GGEDRM O=C(C/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-])Nc1ccc(-n2cccn2)cc1 ZINC000255073436 1433875778 /nfs/dbraw/zinc/87/57/78/1433875778.db2.gz DCFGQXXVCANTEH-JMIUGGIZSA-N -1 0 399.794 3.197 20 30 GGEDRM O=C(/C=C\C1=Cc2ccccc2OC1)c1ccc([O-])c(CN2CCOCC2)c1 ZINC000255105314 1433876297 /nfs/dbraw/zinc/87/62/97/1433876297.db2.gz WFYSPSOKGMPZGO-ALCCZGGFSA-N -1 0 377.440 3.439 20 30 GGEDRM CON=Cc1ccc(C(=O)[N-]S(=O)(=O)c2c(Cl)cccc2Cl)cc1 ZINC000255141081 1433877459 /nfs/dbraw/zinc/87/74/59/1433877459.db2.gz IHMBXVKJYGRJNX-UHFFFAOYSA-N -1 0 387.244 3.092 20 30 GGEDRM COc1cc(/C=C\C(=O)c2cnn(-c3ccccn3)c2C)cc([N+](=O)[O-])c1[O-] ZINC000255166318 1433877771 /nfs/dbraw/zinc/87/77/71/1433877771.db2.gz WIMVXWPQPZHETK-SREVYHEPSA-N -1 0 380.360 3.094 20 30 GGEDRM O=C(c1cccc(N=Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])c1)N1CCOCC1 ZINC000255269171 1433878958 /nfs/dbraw/zinc/87/89/58/1433878958.db2.gz ZTLYEFBQZWTRAB-UHFFFAOYSA-N -1 0 389.795 3.177 20 30 GGEDRM CC1=CC(=O)C(=C([O-])C=Cc2cn(-c3ccccc3)nc2C(C)(C)C)C(=O)O1 ZINC000255356159 1433881122 /nfs/dbraw/zinc/88/11/22/1433881122.db2.gz ICFNXRGHBGTCDC-GDWUOILNSA-N -1 0 378.428 3.398 20 30 GGEDRM N#Cc1ccccc1/C=C\C(=O)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000255560932 1433885205 /nfs/dbraw/zinc/88/52/05/1433885205.db2.gz RZNGGVJPEONLGI-WAYWQWQTSA-N -1 0 387.269 3.445 20 30 GGEDRM O=[N+]([O-])c1ccc([O-])c(/C=N\C[C@@H](c2cccc(Cl)c2)N2CCOCC2)c1 ZINC000255565531 1433885308 /nfs/dbraw/zinc/88/53/08/1433885308.db2.gz WLMJULZRLPWUAN-UMUMUWHJSA-N -1 0 389.839 3.446 20 30 GGEDRM O=[N+]([O-])c1ccc([O-])c(/C=N\C[C@H](c2cccc(Cl)c2)N2CCOCC2)c1 ZINC000255565532 1433885336 /nfs/dbraw/zinc/88/53/36/1433885336.db2.gz WLMJULZRLPWUAN-UZQMFHLOSA-N -1 0 389.839 3.446 20 30 GGEDRM COc1ccc(S(N)(=O)=O)cc1N=Cc1cc(Cl)cc(Cl)c1[O-] ZINC000255564370 1433885415 /nfs/dbraw/zinc/88/54/15/1433885415.db2.gz AHFIOURIPPARDC-UHFFFAOYSA-N -1 0 375.233 3.106 20 30 GGEDRM O=C1C[C@@H](/N=C\c2cc(Cl)cc([N+](=O)[O-])c2[O-])CN1c1c(F)cccc1F ZINC000255570434 1433885551 /nfs/dbraw/zinc/88/55/51/1433885551.db2.gz NGUITOJKEOFKJL-JNLUYVIDSA-N -1 0 395.749 3.456 20 30 GGEDRM CC(C)(C)NS(=O)(=O)c1cccc(N=Cc2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000255670533 1433887568 /nfs/dbraw/zinc/88/75/68/1433887568.db2.gz SSBVKBPVNARNLV-UHFFFAOYSA-N -1 0 377.422 3.128 20 30 GGEDRM O=[N+]([O-])c1ccc([O-])c(C=Nc2cccc(S(=O)(=O)N3CCCCC3)c2)c1 ZINC000255712164 1433888310 /nfs/dbraw/zinc/88/83/10/1433888310.db2.gz ZBXSDZFWWLZWLI-UHFFFAOYSA-N -1 0 389.433 3.226 20 30 GGEDRM O=C(/C=C\c1cnn(-c2ccccc2)c1)c1ccc([O-])c(CN2CCOCC2)c1 ZINC000255868167 1433890483 /nfs/dbraw/zinc/89/04/83/1433890483.db2.gz YFGQXYOKIOUITK-VURMDHGXSA-N -1 0 389.455 3.306 20 30 GGEDRM O=[N+]([O-])c1ccc([O-])c(/C=N\C[C@H](O)COc2cccc(C(F)(F)F)c2)c1 ZINC000255890401 1433891109 /nfs/dbraw/zinc/89/11/09/1433891109.db2.gz PODRMESRRAXRSD-PEULLPALSA-N -1 0 384.310 3.178 20 30 GGEDRM O=C1CCC(=O)N1Cc1ccccc1N=Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000255895465 1433891232 /nfs/dbraw/zinc/89/12/32/1433891232.db2.gz YKKXXWXADRHQQK-UHFFFAOYSA-N -1 0 387.779 3.353 20 30 GGEDRM COc1cc(C#N)ccc1OCC(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C ZINC000262370940 1433936942 /nfs/dbraw/zinc/93/69/42/1433936942.db2.gz GIPBTYCCXFEPPH-UHFFFAOYSA-N -1 0 384.388 3.070 20 30 GGEDRM C=CCc1ccc(OCC(=O)N[C@H](c2ccccc2)[C@H](C)C(=O)[O-])c(OC)c1 ZINC000262457625 1433939943 /nfs/dbraw/zinc/93/99/43/1433939943.db2.gz HYKXSACESMOIPC-BTYIYWSLSA-N -1 0 383.444 3.381 20 30 GGEDRM C=CCc1cc(CNC(=O)CCc2ccc(C(=O)[O-])cc2)cc(OC)c1OC ZINC000262589359 1433944962 /nfs/dbraw/zinc/94/49/62/1433944962.db2.gz HJLSIBMEEFWLDX-UHFFFAOYSA-N -1 0 383.444 3.380 20 30 GGEDRM C=CCC[C@@H](NC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000262841077 1433960392 /nfs/dbraw/zinc/96/03/92/1433960392.db2.gz GVZDAPICIXAGBC-HUUCEWRRSA-N -1 0 399.274 3.134 20 30 GGEDRM C=CCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000262841074 1433960441 /nfs/dbraw/zinc/96/04/41/1433960441.db2.gz GVZDAPICIXAGBC-GJZGRUSLSA-N -1 0 399.274 3.134 20 30 GGEDRM C=CCc1cc(C(=O)N2C[C@H](C(=O)[O-])[C@H](c3ccccc3)C2)cc(OC)c1OC ZINC000262874670 1433963438 /nfs/dbraw/zinc/96/34/38/1433963438.db2.gz JYLQNISBVVGNPZ-OALUTQOASA-N -1 0 395.455 3.373 20 30 GGEDRM C=CCC[C@@H](NC(=O)c1cnn(-c2ccccc2C)c1C(F)(F)F)C(=O)[O-] ZINC000262902768 1433965233 /nfs/dbraw/zinc/96/52/33/1433965233.db2.gz MKCOCKYXIAHVGC-CYBMUJFWSA-N -1 0 381.354 3.349 20 30 GGEDRM C=CCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000262949670 1433969546 /nfs/dbraw/zinc/96/95/46/1433969546.db2.gz QNSNZBBUEFUYFS-GJZGRUSLSA-N -1 0 399.274 3.134 20 30 GGEDRM CC(C)Oc1ccc(NC(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)cc1C#N ZINC000263087795 1433984227 /nfs/dbraw/zinc/98/42/27/1433984227.db2.gz SCXQVJCIBJRTNI-CHWSQXEVSA-N -1 0 385.342 3.072 20 30 GGEDRM C=CCOC[C@H](NC(=O)c1cnn(-c2ccc(Cl)cc2)c1C(C)C)C(=O)[O-] ZINC000263102780 1433985519 /nfs/dbraw/zinc/98/55/19/1433985519.db2.gz UGJGMJHZSKHAFS-INIZCTEOSA-N -1 0 391.855 3.035 20 30 GGEDRM C=CCOc1ccc(C(=O)NC[C@](CC)(C(=O)[O-])c2ccccc2)cc1OC ZINC000263107937 1433986360 /nfs/dbraw/zinc/98/63/60/1433986360.db2.gz 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C=CC[C@H]1N(C(=O)Cc2c(C)nc(-c3ncccn3)[n-]c2=O)CCCC1(C)C ZINC000277545393 1435311870 /nfs/dbraw/zinc/31/18/70/1435311870.db2.gz BQMISBABSBIOIF-MRXNPFEDSA-N -1 0 381.480 3.083 20 30 GGEDRM C=CCn1c(=O)c2ccc(C(=O)N3CCSC(C)(C)CC3)cc2[n-]c1=S ZINC000279436726 1435499536 /nfs/dbraw/zinc/49/95/36/1435499536.db2.gz ZKSSHUXUDNTVFI-UHFFFAOYSA-N -1 0 389.546 3.229 20 30 GGEDRM CC(C)(C)OC(=O)Nc1ccccc1CCC(=O)Nc1nc(C#N)c(C#N)[n-]1 ZINC000279438977 1435499546 /nfs/dbraw/zinc/49/95/46/1435499546.db2.gz CSLAIFPSJHTQCS-UHFFFAOYSA-N -1 0 380.408 3.071 20 30 GGEDRM Brc1ccc(NN=C2CCCc3cc(-c4nn[n-]n4)ccc32)nc1 ZINC000819689125 1441443531 /nfs/dbraw/zinc/44/35/31/1441443531.db2.gz VUUDYUZCOWPJRD-UHFFFAOYSA-N -1 0 384.241 3.177 20 30 GGEDRM C[C@@H](Sc1ccc(-c2nn[n-]n2)cc1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000736192261 1441502187 /nfs/dbraw/zinc/50/21/87/1441502187.db2.gz LSYLGQFQTAKRDR-CYBMUJFWSA-N -1 0 396.451 3.433 20 30 GGEDRM O=C1C(=Cc2ccc(-c3nn[n-]n3)s2)COc2c(Br)cccc21 ZINC000823504463 1441511962 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ZINC000735419221 1441763133 /nfs/dbraw/zinc/76/31/33/1441763133.db2.gz QIARMABEBUFJAJ-OAHLLOKOSA-N -1 0 379.439 3.399 20 30 GGEDRM CC(C)(CN=Nc1cccc(-c2nn[n-]n2)c1)[C@H](C[N+](=O)[O-])c1ccccc1 ZINC000819976593 1441763782 /nfs/dbraw/zinc/76/37/82/1441763782.db2.gz YLFUKPVTFBEDCO-QGZVFWFLSA-N -1 0 379.424 3.351 20 30 GGEDRM C=CCn1c(Sc2cccc(-c3nn[n-]n3)n2)nnc1-c1ccc(C)cc1 ZINC000823937291 1441773894 /nfs/dbraw/zinc/77/38/94/1441773894.db2.gz QEKBWGUYFUXUAE-UHFFFAOYSA-N -1 0 376.449 3.166 20 30 GGEDRM COc1ccc(C=NNc2ncc(C(F)(F)F)cc2Cl)cc1-c1nn[n-]n1 ZINC000737083301 1441801045 /nfs/dbraw/zinc/80/10/45/1441801045.db2.gz PBFRDWMADGTXII-UHFFFAOYSA-N -1 0 397.748 3.389 20 30 GGEDRM CC(C)c1ccc(C(=O)[C@@H](C)Sc2nc(N)c(C#N)cc2-c2nn[n-]n2)cc1 ZINC000736193595 1441806789 /nfs/dbraw/zinc/80/67/89/1441806789.db2.gz STVJOHRXKREBJZ-LLVKDONJSA-N -1 0 393.476 3.202 20 30 GGEDRM N#C[C@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)c1nc(-c2ccccc2)cs1 ZINC000826379673 1441807541 /nfs/dbraw/zinc/80/75/41/1441807541.db2.gz 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1442209254 /nfs/dbraw/zinc/20/92/54/1442209254.db2.gz FVRVOLFVARUDCT-UHFFFAOYSA-N -1 0 389.232 3.282 20 30 GGEDRM C[C@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)c1ccccc1SCC#N ZINC000736040542 1442218399 /nfs/dbraw/zinc/21/83/99/1442218399.db2.gz PIKHRBBHROHESV-CYBMUJFWSA-N -1 0 395.444 3.107 20 30 GGEDRM N#Cc1cc(C(F)(F)F)ccc1C(=O)OCc1cccc(-c2nn[n-]n2)c1F ZINC000826383631 1442228953 /nfs/dbraw/zinc/22/89/53/1442228953.db2.gz JMDSITJCTOYGJO-UHFFFAOYSA-N -1 0 391.284 3.253 20 30 GGEDRM CCOc1ccc(C=CC(=O)c2c(C)n3c(c2-c2nn[n-]n2)CCC3)cc1OC ZINC000736643306 1442251455 /nfs/dbraw/zinc/25/14/55/1442251455.db2.gz GVFXUUVPKNQYRH-VQHVLOKHSA-N -1 0 393.447 3.226 20 30 GGEDRM N#Cc1ccccc1COC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000737727000 1442278168 /nfs/dbraw/zinc/27/81/68/1442278168.db2.gz AVUGEXAFQZNWBM-UHFFFAOYSA-N -1 0 377.404 3.031 20 30 GGEDRM CC(C)C[C@](C)(C#N)NC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000735756454 1442302036 /nfs/dbraw/zinc/30/20/36/1442302036.db2.gz OLDCSVAPXBIZTI-HXUWFJFHSA-N -1 0 391.435 3.112 20 30 GGEDRM CCN(C(=O)c1c(F)cc(C#N)cc1F)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825375975 1442319746 /nfs/dbraw/zinc/31/97/46/1442319746.db2.gz BGZWMVHRQNLVFB-UHFFFAOYSA-N -1 0 388.765 3.337 20 30 GGEDRM N#Cc1cc(NCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)ccc1Cl ZINC000822823443 1442393857 /nfs/dbraw/zinc/39/38/57/1442393857.db2.gz QHHDFCYFZBODBH-UHFFFAOYSA-N -1 0 378.783 3.054 20 30 GGEDRM CC(C)(C)n1cc(C#N)cc1NC(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000735660436 1442445114 /nfs/dbraw/zinc/44/51/14/1442445114.db2.gz ANUXYRIYENTRBV-UHFFFAOYSA-N -1 0 395.492 3.167 20 30 GGEDRM CC(C)[C@@H](C#N)OC(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000820016064 1442446611 /nfs/dbraw/zinc/44/66/11/1442446611.db2.gz JADOFKBKXQPSJC-GOSISDBHSA-N -1 0 377.404 3.151 20 30 GGEDRM N#Cc1ccc2c(c1)N(C(=S)Nc1ccc(-c3nn[n-]n3)c(Cl)c1)CC2 ZINC000826386065 1442448256 /nfs/dbraw/zinc/44/82/56/1442448256.db2.gz NORIOWXTVAXMID-UHFFFAOYSA-N -1 0 381.852 3.151 20 30 GGEDRM O=C(C=Cc1cnc2ccc(-c3nn[n-]n3)cn12)c1ccc2cc(O)ccc2c1 ZINC000822934869 1442468699 /nfs/dbraw/zinc/46/86/99/1442468699.db2.gz DUQGVFVNHBCQAQ-FNORWQNLSA-N -1 0 382.383 3.269 20 30 GGEDRM Cc1c(C(=O)C=Cc2ccc(Cl)c([N+](=O)[O-])c2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737203445 1442488043 /nfs/dbraw/zinc/48/80/43/1442488043.db2.gz UHGDRNIDPMLJIN-ALCCZGGFSA-N -1 0 398.810 3.381 20 30 GGEDRM COCC#CCOC(=O)c1ccc(Oc2ccccc2-c2nn[n-]n2)c(Cl)c1 ZINC000826146783 1443066173 /nfs/dbraw/zinc/06/61/73/1443066173.db2.gz CZYXWGLSFJTKFE-UHFFFAOYSA-N -1 0 398.806 3.119 20 30 GGEDRM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1cnc(Cl)c(C)c1 ZINC000819745639 1443091728 /nfs/dbraw/zinc/09/17/28/1443091728.db2.gz NICQPIYUYVYKMP-UHFFFAOYSA-N -1 0 383.843 3.444 20 30 GGEDRM CCOc1ccc(N(CCC#N)C(=O)CCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736644005 1443130683 /nfs/dbraw/zinc/13/06/83/1443130683.db2.gz DHFNKRBVAOUCMA-UHFFFAOYSA-N -1 0 390.447 3.145 20 30 GGEDRM C#Cc1ccc(C(=O)Oc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)nc1 ZINC000819710156 1443144447 /nfs/dbraw/zinc/14/44/47/1443144447.db2.gz 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O=C(C=Cc1cnc2ccc(-c3nn[n-]n3)cn12)c1cccc(C(F)(F)F)c1 ZINC000737809389 1443285906 /nfs/dbraw/zinc/28/59/06/1443285906.db2.gz VXAXKIUICIUZAR-AATRIKPKSA-N -1 0 384.321 3.429 20 30 GGEDRM N#C[C@H]1CCC[C@@H]1NC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000822802203 1443308840 /nfs/dbraw/zinc/30/88/40/1443308840.db2.gz WVCBLCGZIIUQEN-PBHICJAKSA-N -1 0 390.472 3.440 20 30 GGEDRM CC(C)c1ccc(-c2nc(Cn3cnc(-c4nnn[n-]4)c3C#N)cs2)cc1 ZINC000824347620 1443315728 /nfs/dbraw/zinc/31/57/28/1443315728.db2.gz HSJYZVJTVRUYRH-UHFFFAOYSA-N -1 0 376.449 3.230 20 30 GGEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Cc1ccc(F)cc1Cl ZINC000819743492 1443426691 /nfs/dbraw/zinc/42/66/91/1443426691.db2.gz KPMHZXJWBZCXTM-UHFFFAOYSA-N -1 0 385.830 3.417 20 30 GGEDRM O=C(C=Cc1cccc(OCc2ccccc2-c2nn[n-]n2)c1)c1cnccn1 ZINC000737801804 1443434229 /nfs/dbraw/zinc/43/42/29/1443434229.db2.gz UMYKRGDQQOEHJW-HJWRWDBZSA-N -1 0 384.399 3.132 20 30 GGEDRM C=C(C)CN(CC)C(=O)CSc1nc(-c2ccccc2)ccc1-c1nnn[n-]1 ZINC000735398636 1443451255 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ZINC000737709681 1443597443 /nfs/dbraw/zinc/59/74/43/1443597443.db2.gz PPWJEUDYCCQAEK-UHFFFAOYSA-N -1 0 396.410 3.423 20 30 GGEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C[C@H](C)C(=O)c1ccccc1 ZINC000735418825 1443605191 /nfs/dbraw/zinc/60/51/91/1443605191.db2.gz JPFBGIXOLADCIL-INIZCTEOSA-N -1 0 389.459 3.290 20 30 GGEDRM CC(C)C[C@@H](C#N)NC(=O)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1 ZINC000735758241 1443622435 /nfs/dbraw/zinc/62/24/35/1443622435.db2.gz YMEXSGVVMBKVNQ-KRWDZBQOSA-N -1 0 390.447 3.114 20 30 GGEDRM C=CCn1c(C)cc(C(=O)CN(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)c1C ZINC000819758992 1443629238 /nfs/dbraw/zinc/62/92/38/1443629238.db2.gz KHZUJKPMTPKROP-UHFFFAOYSA-N -1 0 390.491 3.318 20 30 GGEDRM CCOc1c(OC)cc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1OC ZINC000825603769 1443632718 /nfs/dbraw/zinc/63/27/18/1443632718.db2.gz BTIWPZYFKHHYRI-VMPITWQZSA-N -1 0 398.394 3.318 20 30 GGEDRM CCC(CSc1ccccc1[N+](=O)[O-])N=Nc1oc(C)nc1-c1nn[n-]n1 ZINC000825127848 1443644243 /nfs/dbraw/zinc/64/42/43/1443644243.db2.gz 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Cc1cncc(C(=O)[C@@H](C#N)c2nc(-c3ccc(-c4nn[n-]n4)cc3)cs2)c1 ZINC000822399455 1449494199 /nfs/dbraw/zinc/49/41/99/1449494199.db2.gz ILTUXTQXSNVLBP-OAHLLOKOSA-N -1 0 387.428 3.184 20 30 GGEDRM COc1ccc(C=CC(=O)c2nc(-c3ccccc3)[nH]c2C)cc1-c1nn[n-]n1 ZINC000737081595 1449630651 /nfs/dbraw/zinc/63/06/51/1449630651.db2.gz PHBFWTVRGSCHNK-CSKARUKUSA-N -1 0 386.415 3.470 20 30 GGEDRM N#C[C@H]1CCC[C@@H]1NC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000822801080 1449642829 /nfs/dbraw/zinc/64/28/29/1449642829.db2.gz DONQOGUQFWSQLB-CJNGLKHVSA-N -1 0 392.394 3.220 20 30 GGEDRM CC(N=Nc1nc(-c2ccc(Cl)cc2)no1)c1ccc(-c2nn[n-]n2)cc1 ZINC000735451038 1449669967 /nfs/dbraw/zinc/66/99/67/1449669967.db2.gz NDDDLEARFWSQFL-UHFFFAOYSA-N -1 0 380.799 3.406 20 30 GGEDRM Cc1cccc(N=C2NC(=O)C(=Cc3ccc(-c4nn[n-]n4)cc3F)S2)c1 ZINC000822324014 1449674144 /nfs/dbraw/zinc/67/41/44/1449674144.db2.gz SDADCQWODZUDSV-OQLLNIDSSA-N -1 0 380.408 3.206 20 30 GGEDRM N#Cc1ccc(C(=O)Nc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)nc1 ZINC000737713601 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C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)cc1 ZINC000263061307 950238578 /nfs/dbraw/zinc/23/85/78/950238578.db2.gz FOPUDVNYGHPSMJ-RDJZCZTQSA-N -1 0 385.464 3.075 20 30 GGEDRM CCN(C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)[C@H](C)C(=O)[O-] ZINC001589705985 950285063 /nfs/dbraw/zinc/28/50/63/950285063.db2.gz SUYUIWGZMUNJAJ-SNVBAGLBSA-N -1 0 391.478 3.029 20 30 GGEDRM C#CCN(CC(=O)[O-])C(=O)Nc1cc(C(F)(F)F)ccc1Br ZINC000318319193 950925086 /nfs/dbraw/zinc/92/50/86/950925086.db2.gz UUPWBAFGPCLSJS-UHFFFAOYSA-N -1 0 379.132 3.020 20 30 GGEDRM CCOC(=O)Nc1ccc(NC(=O)N2CCCC[C@@H]2CCC(=O)[O-])cc1C#N ZINC001590957792 951025699 /nfs/dbraw/zinc/02/56/99/951025699.db2.gz KDMMUEAYQQBFCO-OAHLLOKOSA-N -1 0 388.424 3.378 20 30 GGEDRM CC(C)(C)CC[C@H](NC(=O)Cc1ccc(Br)cc1C#N)C(=O)[O-] ZINC001602861210 971718508 /nfs/dbraw/zinc/71/85/08/971718508.db2.gz NGABKYJZOFAZBE-AWEZNQCLSA-N -1 0 381.270 3.259 20 30 GGEDRM CCOC(=O)c1sc(NC(=O)c2sccc2CC#N)c(C(=O)[O-])c1C ZINC001591467337 951153781 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0 383.452 3.418 20 30 GGEDRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)C1 ZINC000591560480 953742493 /nfs/dbraw/zinc/74/24/93/953742493.db2.gz AZODGSIZENJUTK-ZFWWWQNUSA-N -1 0 380.404 3.320 20 30 GGEDRM C[C@@H]1CCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)C[C@@H]1C(=O)[O-] ZINC000592464752 953745800 /nfs/dbraw/zinc/74/58/00/953745800.db2.gz HKSUKGMSMQOQBK-DYVFJYSZSA-N -1 0 380.404 3.320 20 30 GGEDRM CCCc1c(NC(=O)N2CCC(C)(C(=O)[O-])CC2)cnn1-c1cccc(C#N)c1 ZINC000592465916 953746324 /nfs/dbraw/zinc/74/63/24/953746324.db2.gz IYMCJAOOWKFWNK-UHFFFAOYSA-N -1 0 395.463 3.415 20 30 GGEDRM C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)cc1 ZINC000630563734 953861566 /nfs/dbraw/zinc/86/15/66/953861566.db2.gz VFNFXGAUQVXPFS-YJBOKZPZSA-N -1 0 385.464 3.075 20 30 GGEDRM C[C@H]1CCCN(c2ccc(CNC(=O)[C@](C)(C#N)CC(=O)[O-])cc2Cl)C1 ZINC001589332778 953957657 /nfs/dbraw/zinc/95/76/57/953957657.db2.gz PIZSKZVUSHDZMU-DJJJIMSYSA-N -1 0 377.872 3.197 20 30 GGEDRM C[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cn3)cc2)C[C@@H]1C(=O)[O-] ZINC001589344488 954041256 /nfs/dbraw/zinc/04/12/56/954041256.db2.gz RKSKARRXCCQXSA-DYVFJYSZSA-N -1 0 380.404 3.320 20 30 GGEDRM CC(C)[C@@H](CNC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1)C(=O)[O-] ZINC001602978366 971993689 /nfs/dbraw/zinc/99/36/89/971993689.db2.gz VKEJALVIBLWHLQ-MRXNPFEDSA-N -1 0 391.899 3.291 20 30 GGEDRM C=CCc1ccc(OCC(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c(OC)c1 ZINC000655583023 954224592 /nfs/dbraw/zinc/22/45/92/954224592.db2.gz AOUTZIIUHKOHKT-VNQPRFMTSA-N -1 0 375.465 3.054 20 30 GGEDRM C[C@H](NC(=O)NCC#Cc1cccc(C(F)(F)F)c1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655861549 954245482 /nfs/dbraw/zinc/24/54/82/954245482.db2.gz RKGSMRHPHTYXST-VBNZEHGJSA-N -1 0 396.409 3.492 20 30 GGEDRM C[C@H]1CN(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)CC[C@@H]1C(=O)[O-] ZINC001589387547 954312817 /nfs/dbraw/zinc/31/28/17/954312817.db2.gz MVJCIWQAXQASGB-UGSOOPFHSA-N -1 0 380.404 3.320 20 30 GGEDRM CC[C@H](C#N)Oc1cc(CNC(=O)C2(C(=O)[O-])CCCCCC2)ccc1OC ZINC001589426329 954625108 /nfs/dbraw/zinc/62/51/08/954625108.db2.gz HUCMJHXHSFHDRC-MRXNPFEDSA-N -1 0 388.464 3.418 20 30 GGEDRM CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2cccc(CC(=O)[O-])c2)ccc1OC ZINC001589427082 954638033 /nfs/dbraw/zinc/63/80/33/954638033.db2.gz YQWGVZIESVAKMM-KRWDZBQOSA-N -1 0 397.431 3.325 20 30 GGEDRM C=CCOc1ccc(/C=C\C(=O)NC[C@](C)(C(=O)[O-])c2ccccc2)cc1OC ZINC000799251820 955355101 /nfs/dbraw/zinc/35/51/01/955355101.db2.gz SPOYTKBTDWDDRG-BLSBEMRDSA-N -1 0 395.455 3.432 20 30 GGEDRM Cc1oc(NC(=O)CN2CCC(c3ccccc3C(=O)[O-])CC2)c(C#N)c1C ZINC001594506391 955360666 /nfs/dbraw/zinc/36/06/66/955360666.db2.gz MQVBOXXSQUIOQD-UHFFFAOYSA-N -1 0 381.432 3.284 20 30 GGEDRM C[C@H](OC(=O)[C@@](C)(C#N)CC(=O)[O-])C(=O)Nc1ccccc1-c1ccccc1 ZINC000820160759 955466056 /nfs/dbraw/zinc/46/60/56/955466056.db2.gz ICRDYIFKEWFUTO-LHSJRXKWSA-N -1 0 380.400 3.228 20 30 GGEDRM CC(C)C[C@H](CNC(=O)NCC#Cc1cccc(C(F)(F)F)c1)CC(=O)[O-] ZINC001603042308 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UKMBNHYBIUSWLM-IBGZPJMESA-N -1 0 376.412 3.367 20 30 GGEDRM N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CC(C(=O)[O-])=NO2)cc1Cl ZINC001594602292 956145403 /nfs/dbraw/zinc/14/54/03/956145403.db2.gz VJEZEPKOZGDPEQ-RHSMWYFYSA-N -1 0 383.791 3.163 20 30 GGEDRM CO[C@@](C)(C(=O)[O-])C(=O)Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 ZINC001593931034 956181019 /nfs/dbraw/zinc/18/10/19/956181019.db2.gz XXUIPEBSJTVOKP-LLVKDONJSA-N -1 0 391.239 3.404 20 30 GGEDRM N#CCCCN1C(=O)CCc2cc(NC(=O)[C@@]3(C(=O)[O-])CC=CCC3)ccc21 ZINC001594608825 956187637 /nfs/dbraw/zinc/18/76/37/956187637.db2.gz CBNXVZSAJBHHGM-OAQYLSRUSA-N -1 0 381.432 3.019 20 30 GGEDRM N#CCCCn1cc(C(=O)NC[C@H]2CCC3(CC(C(=O)[O-])C3)O2)c2ccccc21 ZINC001594609058 956189691 /nfs/dbraw/zinc/18/96/91/956189691.db2.gz LJDQPVIAGPAVRD-JXORXQGFSA-N -1 0 395.459 3.087 20 30 GGEDRM N#CCOc1cccc(CC(=O)Nc2cc(C(=O)[O-])ccc2Br)c1 ZINC001594610069 956198510 /nfs/dbraw/zinc/19/85/10/956198510.db2.gz QGFSCBWMUIQXRV-UHFFFAOYSA-N -1 0 389.205 3.231 20 30 GGEDRM N#Cc1cc(C(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)cnc1C(F)(F)F ZINC001594614544 956232268 /nfs/dbraw/zinc/23/22/68/956232268.db2.gz YCBNCVSGBSUFAR-UONOGXRCSA-N -1 0 375.306 3.015 20 30 GGEDRM N#Cc1cc(F)ccc1N1CCN(C(=O)Nc2cccc(CCC(=O)[O-])c2)CC1 ZINC001594615981 956237092 /nfs/dbraw/zinc/23/70/92/956237092.db2.gz KFFXJNIUYHTAJY-UHFFFAOYSA-N -1 0 396.422 3.069 20 30 GGEDRM N#Cc1cc(F)c(OC(=O)c2cccc(OCC(=O)[O-])c2)c(Br)c1 ZINC001594616121 956238699 /nfs/dbraw/zinc/23/86/99/956238699.db2.gz JPYCXRNGDFAEPK-UHFFFAOYSA-N -1 0 394.152 3.142 20 30 GGEDRM N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)NC1(CC(=O)[O-])CCCCC1 ZINC001594616615 956242264 /nfs/dbraw/zinc/24/22/64/956242264.db2.gz OPCHSOJCQXIZSL-UHFFFAOYSA-N -1 0 390.383 3.033 20 30 GGEDRM N#Cc1ccc([C@@H]2CN(C(=O)Nc3cccc(CCC(=O)[O-])c3)CCO2)cc1 ZINC001594618103 956260706 /nfs/dbraw/zinc/26/07/06/956260706.db2.gz CSGKNUIMSKGELE-IBGZPJMESA-N -1 0 379.416 3.181 20 30 GGEDRM N#Cc1ccc(CSc2nnc(NC(=O)C3(CC(=O)[O-])CCC3)s2)cc1 ZINC001594619776 956270714 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ZINC000902821353 956810202 /nfs/dbraw/zinc/81/02/02/956810202.db2.gz IMBKQYDXDSNLBF-INIZCTEOSA-N -1 0 394.427 3.016 20 30 GGEDRM N#Cc1ccc([C@H]2CN(Cc3ccc(N4CCC(C(=O)[O-])CC4)o3)CCO2)cc1 ZINC000904263447 956950658 /nfs/dbraw/zinc/95/06/58/956950658.db2.gz YNPMFBZRZWEOJP-HXUWFJFHSA-N -1 0 395.459 3.026 20 30 GGEDRM COCCN(CCC(=O)[O-])C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 ZINC001594006019 956975989 /nfs/dbraw/zinc/97/59/89/956975989.db2.gz XBYUXROYKQPKKD-LJQANCHMSA-N -1 0 381.432 3.297 20 30 GGEDRM Cc1cc(C(=O)[O-])cc(C(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)c1 ZINC001594284347 957765362 /nfs/dbraw/zinc/76/53/62/957765362.db2.gz NPRKVTVGDJGECV-UHFFFAOYSA-N -1 0 383.835 3.181 20 30 GGEDRM COc1cc(C#N)ccc1OCCN1C[C@@H](CCC(=O)[O-])Cc2ccccc21 ZINC001594049121 957962349 /nfs/dbraw/zinc/96/23/49/957962349.db2.gz DGLWLDLFXHALOE-KRWDZBQOSA-N -1 0 380.444 3.489 20 30 GGEDRM COc1cc(C#N)ccc1OCCCC(=O)N1CC[C@H](C(=O)[O-])c2ccccc21 ZINC001594049415 957967189 /nfs/dbraw/zinc/96/71/89/957967189.db2.gz RZKHERLWDXWMQI-KRWDZBQOSA-N -1 0 394.427 3.331 20 30 GGEDRM C#C[C@@H](NC(=O)N1CCC(C)(C(=O)[O-])CC1)c1ccc(Br)cc1 ZINC001588387388 957987138 /nfs/dbraw/zinc/98/71/38/957987138.db2.gz ITIXNAWLCNMYLB-CQSZACIVSA-N -1 0 379.254 3.020 20 30 GGEDRM C#C[C@H](NC(=O)N1CCC(C)(C(=O)[O-])CC1)c1ccc(Br)cc1 ZINC001588387387 957987568 /nfs/dbraw/zinc/98/75/68/957987568.db2.gz ITIXNAWLCNMYLB-AWEZNQCLSA-N -1 0 379.254 3.020 20 30 GGEDRM C#CC[C@@]1(C(=O)Nc2ccc(C(=O)[O-])cc2F)CCCN1C(=O)OC(C)(C)C ZINC001588392387 958033675 /nfs/dbraw/zinc/03/36/75/958033675.db2.gz YXFRXBOTVHWMLU-FQEVSTJZSA-N -1 0 390.411 3.255 20 30 GGEDRM C#CCN(CC(=O)[O-])C(=O)[C@H](C)SCc1ncc(-c2ccc(Cl)cc2)o1 ZINC001588397605 958060378 /nfs/dbraw/zinc/06/03/78/958060378.db2.gz NGKTYLCSGRJNNB-LBPRGKRZSA-N -1 0 392.864 3.163 20 30 GGEDRM C#CCN(CC(=O)[O-])C(=O)NCCCN1c2ccccc2Sc2ccccc21 ZINC001588408289 958106549 /nfs/dbraw/zinc/10/65/49/958106549.db2.gz FSGZKHPCILBHAR-UHFFFAOYSA-N -1 0 395.484 3.409 20 30 GGEDRM C#CCN(CC(=O)[O-])C(=O)N[C@@H](C)c1sc(-c2ccc(F)cc2)nc1C ZINC001588409600 958129494 /nfs/dbraw/zinc/12/94/94/958129494.db2.gz HJKYVXKXIOSQJF-LBPRGKRZSA-N -1 0 375.425 3.048 20 30 GGEDRM C#CCN(CC(=O)[O-])C(=O)N[C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC001588409632 958130609 /nfs/dbraw/zinc/13/06/09/958130609.db2.gz IIOJZWPMASVMNN-OAHLLOKOSA-N -1 0 387.436 3.056 20 30 GGEDRM C#CCN(CC(=O)[O-])C(=O)Nc1cc(Cl)c(OCC(F)(F)F)c(Cl)c1 ZINC001588410965 958143736 /nfs/dbraw/zinc/14/37/36/958143736.db2.gz BYRSAGYQCGFSBS-UHFFFAOYSA-N -1 0 399.152 3.486 20 30 GGEDRM C#CCN(CC(=O)[O-])C(=O)Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1C ZINC001588412373 958150665 /nfs/dbraw/zinc/15/06/65/958150665.db2.gz BWIUCJLYSREBNW-UHFFFAOYSA-N -1 0 399.834 3.452 20 30 GGEDRM C#CCN(CC(=O)[O-])C(=O)c1ccc(-c2ccc(OC(F)(F)F)cc2)s1 ZINC001588416156 958162894 /nfs/dbraw/zinc/16/28/94/958162894.db2.gz IJHQCYJTOZPJQH-UHFFFAOYSA-N -1 0 383.347 3.474 20 30 GGEDRM C#CCN(CC(=O)[O-])C(=O)c1cc(C)n(-c2ccccc2Br)c1C ZINC001588417302 958169833 /nfs/dbraw/zinc/16/98/33/958169833.db2.gz HAPDXSOCFJZLEA-UHFFFAOYSA-N -1 0 389.249 3.017 20 30 GGEDRM C#CCN(CC(=O)[O-])C(=O)c1sc(NC(=O)c2ccccc2Cl)cc1C ZINC001588418448 958179022 /nfs/dbraw/zinc/17/90/22/958179022.db2.gz GURZSYLMELHINR-UHFFFAOYSA-N -1 0 390.848 3.122 20 30 GGEDRM C#CCN(CC(=O)[O-])C(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 ZINC001588419143 958192880 /nfs/dbraw/zinc/19/28/80/958192880.db2.gz TTXLYNYWBFEPOT-UHFFFAOYSA-N -1 0 378.306 3.053 20 30 GGEDRM Cc1cc(Oc2ccccc2C#N)ncc1NC(=O)C1(CC(=O)[O-])CCOCC1 ZINC001594328641 958197491 /nfs/dbraw/zinc/19/74/91/958197491.db2.gz ZHMMTKKLUMMZNJ-UHFFFAOYSA-N -1 0 395.415 3.264 20 30 GGEDRM Cc1c(C)n(-c2ccc(C)cc2)c2ncnc(NC(=O)[C@](C)(C#N)CC(=O)[O-])c12 ZINC001594337057 958271793 /nfs/dbraw/zinc/27/17/93/958271793.db2.gz MCAMYGUSFSBTCZ-NRFANRHFSA-N -1 0 391.431 3.289 20 30 GGEDRM Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)cc1C ZINC001594337587 958279056 /nfs/dbraw/zinc/27/90/56/958279056.db2.gz LQWBEBUYLHGAHT-RDTXWAMCSA-N -1 0 394.475 3.263 20 30 GGEDRM C=C(C)COc1cccc(NC(=O)C2=NN(c3ccccc3)[C@@H](C(=O)[O-])C2)c1 ZINC001588443500 958354348 /nfs/dbraw/zinc/35/43/48/958354348.db2.gz RZRZJRIBVACAMY-LJQANCHMSA-N -1 0 379.416 3.300 20 30 GGEDRM C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(O)c(C(=O)[O-])c1 ZINC001588445199 958370206 /nfs/dbraw/zinc/37/02/06/958370206.db2.gz CYHIITMGBFVQRQ-GFCCVEGCSA-N -1 0 384.816 3.065 20 30 GGEDRM C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)Nc1sc(C(=O)OCC)c(C)c1C(=O)[O-] ZINC001588445343 958372654 /nfs/dbraw/zinc/37/26/54/958372654.db2.gz FQPNJJCBAFHKAX-BETUJISGSA-N -1 0 392.477 3.053 20 30 GGEDRM C=CCCC(=O)Nc1ccc(COC(=O)C2(C(=O)[O-])CCSCC2)cc1 ZINC001588457412 958449056 /nfs/dbraw/zinc/44/90/56/958449056.db2.gz YTIUHZTWSWQFOL-UHFFFAOYSA-N -1 0 377.462 3.233 20 30 GGEDRM C=CC[C@]1(C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)CCCN1C(=O)OC(C)(C)C ZINC001588457525 958450865 /nfs/dbraw/zinc/45/08/65/958450865.db2.gz CWSIYQUUYCCVBM-HRAATJIYSA-N -1 0 394.512 3.436 20 30 GGEDRM C=CC[C@@]1(C(=O)N2CCC[C@H](CCC(=O)[O-])C2)CCCN1C(=O)OC(C)(C)C ZINC001588457526 958451294 /nfs/dbraw/zinc/45/12/94/958451294.db2.gz CWSIYQUUYCCVBM-IERDGZPVSA-N -1 0 394.512 3.436 20 30 GGEDRM C=CC[C@]1(C(=O)N2CCC[C@H](CCC(=O)[O-])C2)CCCN1C(=O)OC(C)(C)C ZINC001588457527 958451409 /nfs/dbraw/zinc/45/14/09/958451409.db2.gz CWSIYQUUYCCVBM-IIBYNOLFSA-N -1 0 394.512 3.436 20 30 GGEDRM C=CC[C@@]1(C(=O)NCc2ccc(C(=O)[O-])cc2)CCCN1C(=O)OC(C)(C)C ZINC001588457661 958452826 /nfs/dbraw/zinc/45/28/26/958452826.db2.gz IGFSLOAZNLMOIU-NRFANRHFSA-N -1 0 388.464 3.347 20 30 GGEDRM C=CCC1(O)CCN(C(=O)Nc2cc(C(=O)[O-])ccc2Br)CC1 ZINC001588457667 958452895 /nfs/dbraw/zinc/45/28/95/958452895.db2.gz IOEKGPAAHQKNPU-UHFFFAOYSA-N -1 0 383.242 3.082 20 30 GGEDRM C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(O)c(C(=O)[O-])c1 ZINC001588458043 958457257 /nfs/dbraw/zinc/45/72/57/958457257.db2.gz JOVOEIKUDMRPNC-AWEZNQCLSA-N -1 0 378.425 3.279 20 30 GGEDRM C=CC[C@]1(C(=O)NCC(CC)(CC)C(=O)[O-])CCCN1C(=O)OC(C)(C)C ZINC001588458083 958458426 /nfs/dbraw/zinc/45/84/26/958458426.db2.gz QCYNCTOBXWRVDX-HXUWFJFHSA-N -1 0 382.501 3.339 20 30 GGEDRM C=CC[C@]1(C(=O)Nc2cncc(C(=O)[O-])c2)CCCN1C(=O)OC(C)(C)C ZINC001588458335 958460092 /nfs/dbraw/zinc/46/00/92/958460092.db2.gz SEMYVULEJJFUDN-LJQANCHMSA-N -1 0 375.425 3.064 20 30 GGEDRM C#CCN(CC(=O)[O-])C(=O)Nc1ccc(Oc2ncc(Cl)cn2)c(Cl)c1 ZINC001573318258 958462638 /nfs/dbraw/zinc/46/26/38/958462638.db2.gz SXANHCKCERFCTR-UHFFFAOYSA-N -1 0 395.202 3.127 20 30 GGEDRM C#CC[C@]1(C(=O)OCc2ccc(C(=O)[O-])cc2)CCCN1C(=O)OC(C)(C)C ZINC001573318647 958466956 /nfs/dbraw/zinc/46/69/56/958466956.db2.gz QCQCXOLFCGLQKI-OAQYLSRUSA-N -1 0 387.432 3.221 20 30 GGEDRM C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC001588458850 958467155 /nfs/dbraw/zinc/46/71/55/958467155.db2.gz VOWNKDOKUXFRPZ-DLBZAZTESA-N -1 0 390.480 3.048 20 30 GGEDRM C#C[C@H](NC(=O)NCC(CC)(CC)C(=O)[O-])c1ccc(Br)cc1 ZINC001573318664 958467627 /nfs/dbraw/zinc/46/76/27/958467627.db2.gz QFMXQVFRWOFSOC-AWEZNQCLSA-N -1 0 381.270 3.314 20 30 GGEDRM C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2coc(/C=C/C(=O)[O-])c2)cc1 ZINC001588463301 958483031 /nfs/dbraw/zinc/48/30/31/958483031.db2.gz LZHCNVUYOOFEEE-MDZDMXLPSA-N -1 0 380.400 3.444 20 30 GGEDRM C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1 ZINC001588464416 958491910 /nfs/dbraw/zinc/49/19/10/958491910.db2.gz PMPZYVLERRVWSP-JOCHJYFZSA-N -1 0 377.444 3.298 20 30 GGEDRM C=CCN(Cc1cc(Br)ccc1F)C(=O)NC[C@H](CC)C(=O)[O-] ZINC001573328216 958496047 /nfs/dbraw/zinc/49/60/47/958496047.db2.gz CVOXYQKRCUAMBK-NSHDSACASA-N -1 0 387.249 3.397 20 30 GGEDRM C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC001573328564 958499864 /nfs/dbraw/zinc/49/98/64/958499864.db2.gz JQQKHAOMPATXJN-JKSUJKDBSA-N -1 0 382.501 3.482 20 30 GGEDRM C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC001573328562 958500266 /nfs/dbraw/zinc/50/02/66/958500266.db2.gz JQQKHAOMPATXJN-HZPDHXFCSA-N -1 0 382.501 3.482 20 30 GGEDRM C=CCNC(=O)c1ccc(NCc2ccc(N3CCC(C(=O)[O-])CC3)o2)cc1 ZINC001588465383 958500935 /nfs/dbraw/zinc/50/09/35/958500935.db2.gz HKHHOIUTKQBLHJ-UHFFFAOYSA-N -1 0 383.448 3.109 20 30 GGEDRM C=CCNC(=O)c1ccc(NC(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)cc1 ZINC001588465584 958506840 /nfs/dbraw/zinc/50/68/40/958506840.db2.gz UXXINNQOHMVTSV-ZWKOTPCHSA-N -1 0 379.416 3.037 20 30 GGEDRM C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(C(=O)[O-])CCCCCC1 ZINC001573329436 958508079 /nfs/dbraw/zinc/50/80/79/958508079.db2.gz FZLVGBWVOWPDJY-CYBMUJFWSA-N -1 0 388.892 3.316 20 30 GGEDRM C=CCOc1ccc(Br)cc1NC(=O)c1ccc(C(=O)[O-])nc1 ZINC001588466255 958508928 /nfs/dbraw/zinc/50/89/28/958508928.db2.gz FFLDCFYCIJVABN-UHFFFAOYSA-N -1 0 377.194 3.359 20 30 GGEDRM C=CCOc1ccc(/C=C\C(=O)N[C@@H](C(=O)[O-])c2ccc(F)cc2)cc1OC ZINC001588466363 958509572 /nfs/dbraw/zinc/50/95/72/958509572.db2.gz LPLZIZQPXXEOST-OZVOWOKYSA-N -1 0 385.391 3.354 20 30 GGEDRM C=CCOc1ccc(/C=C/C(=O)N[C@@H](C(=O)[O-])c2ccc(F)cc2)cc1OC ZINC001588466364 958509818 /nfs/dbraw/zinc/50/98/18/958509818.db2.gz LPLZIZQPXXEOST-XGHQVWIYSA-N -1 0 385.391 3.354 20 30 GGEDRM C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CCC[C@](CC)(C(=O)[O-])C1 ZINC001588469411 958514644 /nfs/dbraw/zinc/51/46/44/958514644.db2.gz FQBRFVSNVJVPJP-NRFANRHFSA-N -1 0 383.448 3.154 20 30 GGEDRM C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CCC[C@@](CC)(C(=O)[O-])C1 ZINC001588469412 958515174 /nfs/dbraw/zinc/51/51/74/958515174.db2.gz FQBRFVSNVJVPJP-OAQYLSRUSA-N -1 0 383.448 3.154 20 30 GGEDRM C=CC1(CC(=O)NC2(CC(=O)[O-])CCCCC2)CN(C(=O)OC(C)(C)C)C1 ZINC001573330216 958516366 /nfs/dbraw/zinc/51/63/66/958516366.db2.gz WIIFABONWXGSFD-UHFFFAOYSA-N -1 0 380.485 3.093 20 30 GGEDRM C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC001573336460 958518684 /nfs/dbraw/zinc/51/86/84/958518684.db2.gz AXZUJHMOICPFOB-CLFYSBASSA-N -1 0 386.356 3.120 20 30 GGEDRM C=CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@H](C(=O)[O-])C1 ZINC001588470739 958530838 /nfs/dbraw/zinc/53/08/38/958530838.db2.gz TXVGILMCCHJHQQ-STQMWFEESA-N -1 0 376.844 3.168 20 30 GGEDRM C=CCn1c(CSc2ccccc2OC)nnc1N1CCC(C(=O)[O-])CC1 ZINC001588472600 958545350 /nfs/dbraw/zinc/54/53/50/958545350.db2.gz PVBWYBUAWBDFKM-UHFFFAOYSA-N -1 0 388.493 3.066 20 30 GGEDRM C=CCn1cc2ccc(NC(=O)NC[C@](C)(C(=O)[O-])c3ccccc3)cc2n1 ZINC001588474757 958558073 /nfs/dbraw/zinc/55/80/73/958558073.db2.gz PIGDSOHNOLFOLB-NRFANRHFSA-N -1 0 378.432 3.386 20 30 GGEDRM C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC001573362328 958598134 /nfs/dbraw/zinc/59/81/34/958598134.db2.gz ACPYEFSFZIXAPA-FOIQADDNSA-N -1 0 395.434 3.145 20 30 GGEDRM C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC001573362339 958598442 /nfs/dbraw/zinc/59/84/42/958598442.db2.gz ACPYEFSFZIXAPA-MGPUTAFESA-N -1 0 395.434 3.145 20 30 GGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)NCC1(c2cccc(Br)c2)CCCC1 ZINC001573363534 958607596 /nfs/dbraw/zinc/60/75/96/958607596.db2.gz JSLGFIWWUSGVJM-KRWDZBQOSA-N -1 0 393.281 3.382 20 30 GGEDRM CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC001573436946 958806209 /nfs/dbraw/zinc/80/62/09/958806209.db2.gz FJJYUBGRAJWLDC-HOTGVXAUSA-N -1 0 395.500 3.210 20 30 GGEDRM Cc1cccc([C@@H](NS(=O)(=O)c2c(C#N)sc3ccccc32)C(=O)[O-])c1 ZINC001594399299 958824846 /nfs/dbraw/zinc/82/48/46/958824846.db2.gz FCVOHJYENFIBHQ-MRXNPFEDSA-N -1 0 386.454 3.186 20 30 GGEDRM Cc1cccc(N(CCC#N)C(=O)CN[C@@H](C(=O)[O-])c2ccc(F)cc2)c1C ZINC001594404773 958893669 /nfs/dbraw/zinc/89/36/69/958893669.db2.gz HVKDKZSSBGNUMP-HXUWFJFHSA-N -1 0 383.423 3.105 20 30 GGEDRM CC(C)(C)c1cc(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)n(-c2ccc(C#N)cc2)n1 ZINC001573463073 958926080 /nfs/dbraw/zinc/92/60/80/958926080.db2.gz XYBIKWUHFKPWMP-LSDHHAIUSA-N -1 0 380.448 3.481 20 30 GGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1CCCCc2cc(Br)ccc21 ZINC001588538169 958939381 /nfs/dbraw/zinc/93/93/81/958939381.db2.gz DQFCXJUSAFQBRQ-PBHICJAKSA-N -1 0 379.254 3.337 20 30 GGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1nnc(Cc2ccc(C(F)(F)F)cc2)s1 ZINC001588539916 958955462 /nfs/dbraw/zinc/95/54/62/958955462.db2.gz GBOJAIITSNGTDC-HNNXBMFYSA-N -1 0 398.366 3.091 20 30 GGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1nnc(-c2ccc(C(F)(F)F)cc2)s1 ZINC001588540181 958959029 /nfs/dbraw/zinc/95/90/29/958959029.db2.gz RDJVFIRKMOEKGU-CQSZACIVSA-N -1 0 384.339 3.167 20 30 GGEDRM CC(C)(C)c1cc(Br)cc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])c1O ZINC001588541534 958964066 /nfs/dbraw/zinc/96/40/66/958964066.db2.gz FMJRKABWBQXUSX-MRXNPFEDSA-N -1 0 383.242 3.395 20 30 GGEDRM C=C(C)[C@H](NS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1)c1ccc(F)c(F)c1 ZINC000187123846 959503623 /nfs/dbraw/zinc/50/36/23/959503623.db2.gz RCDUNLRPTBHRFX-INIZCTEOSA-N -1 0 385.363 3.398 20 30 GGEDRM Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2coc(/C=C\C(=O)[O-])c2)c1C ZINC001594476458 959600296 /nfs/dbraw/zinc/60/02/96/959600296.db2.gz AJHAIFZUWNHJML-FPLPWBNLSA-N -1 0 376.372 3.304 20 30 GGEDRM Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)/C=C\c2ccc(C(=O)[O-])o2)c1C ZINC001594476638 959603428 /nfs/dbraw/zinc/60/34/28/959603428.db2.gz WHHPUAOKQAIIJG-NTMALXAHSA-N -1 0 376.372 3.304 20 30 GGEDRM CN(CCC#N)c1ccc(/C=C2/SC(=S)N(CCCC(=O)[O-])C2=O)cc1 ZINC000208024526 959667486 /nfs/dbraw/zinc/66/74/86/959667486.db2.gz MQVILYMTNCPRRL-NTCAYCPXSA-N -1 0 389.502 3.102 20 30 GGEDRM C=CCOc1ccc(/C=C2/SC(=S)N(CCCC(=O)[O-])C2=O)cc1OC ZINC000211651696 959694055 /nfs/dbraw/zinc/69/40/55/959694055.db2.gz YRHWNBFOBISQCI-RVDMUPIBSA-N -1 0 393.486 3.326 20 30 GGEDRM CC(C)(C)CC[C@@H](NC(=O)Nc1ccc(Br)c(C#N)n1)C(=O)[O-] ZINC001588651022 959767653 /nfs/dbraw/zinc/76/76/53/959767653.db2.gz WDVQQEVZZIZOFF-SNVBAGLBSA-N -1 0 383.246 3.117 20 30 GGEDRM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC001594268542 959773067 /nfs/dbraw/zinc/77/30/67/959773067.db2.gz FFQFIMHLYNQXDZ-INIZCTEOSA-N -1 0 386.454 3.186 20 30 GGEDRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)Nc2ccc(Oc3ccc(C#N)cn3)cc2)C1 ZINC001573698601 959808371 /nfs/dbraw/zinc/80/83/71/959808371.db2.gz NTMSUZAYSPILNK-ZFWWWQNUSA-N -1 0 380.404 3.320 20 30 GGEDRM CC(C)(C)CN(CC(=O)[O-])C(=O)c1cccc(CNc2ncccc2C#N)c1 ZINC001588654018 960406781 /nfs/dbraw/zinc/40/67/81/960406781.db2.gz QUSPHZCZXXUVCZ-UHFFFAOYSA-N -1 0 380.448 3.138 20 30 GGEDRM CC(C)(C)CNC(=O)c1ccc(Cl)c(NC(=O)[C@](C)(C#N)CC(=O)[O-])c1 ZINC001588657949 960418833 /nfs/dbraw/zinc/41/88/33/960418833.db2.gz CQQYPHFXNQSCKD-SFHVURJKSA-N -1 0 379.844 3.059 20 30 GGEDRM CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl ZINC001588669154 960495047 /nfs/dbraw/zinc/49/50/47/960495047.db2.gz UZQUENJOKBNKJI-QGZVFWFLSA-N -1 0 384.791 3.377 20 30 GGEDRM C[C@@H]1Cc2c(C(=O)[O-])c(NC(=O)CC3(C#N)CCOCC3)sc2[C@@H](C)O1 ZINC001573746255 960495485 /nfs/dbraw/zinc/49/54/85/960495485.db2.gz JDQWFXYEQUXGAK-GHMZBOCLSA-N -1 0 378.450 3.117 20 30 GGEDRM CCCCCCCNS(=O)(=O)c1cc(C(=O)[O-])ccc1Br ZINC001196052201 960570946 /nfs/dbraw/zinc/57/09/46/960570946.db2.gz QSWDNOLEAZIYCF-UHFFFAOYSA-N -1 0 378.288 3.396 20 30 GGEDRM CC[C@H](C#N)Oc1cc(CNC(=O)Nc2ccccc2CC(=O)[O-])ccc1OC ZINC001573759754 960602439 /nfs/dbraw/zinc/60/24/39/960602439.db2.gz TXMKQQFZVDUFNT-MRXNPFEDSA-N -1 0 397.431 3.325 20 30 GGEDRM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1CCCC[C@@H]1CC(=O)[O-] ZINC001574303870 960727021 /nfs/dbraw/zinc/72/70/21/960727021.db2.gz FUVJZEDUKAYIHZ-CYBMUJFWSA-N -1 0 378.475 3.099 20 30 GGEDRM CC(C)(C)C(=O)NCCC(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC000236783538 960757482 /nfs/dbraw/zinc/75/74/82/960757482.db2.gz RRCKRYBVNQSZMV-UHFFFAOYSA-N -1 0 392.455 3.276 20 30 GGEDRM C=C(C)C[C@@H](NC(=O)COc1ccc(Cl)cc1Br)C(=O)[O-] ZINC001261843758 960769102 /nfs/dbraw/zinc/76/91/02/960769102.db2.gz RAKUFVFLCSDHHA-LLVKDONJSA-N -1 0 376.634 3.017 20 30 GGEDRM CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)NC1(C(=O)[O-])CCCCCC1 ZINC001588706610 960845186 /nfs/dbraw/zinc/84/51/86/960845186.db2.gz OFYYTCPXEZJRIM-OAHLLOKOSA-N -1 0 395.500 3.257 20 30 GGEDRM N#Cc1ccccc1CSCCNC(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001263061595 960858337 /nfs/dbraw/zinc/85/83/37/960858337.db2.gz WTYDIBRCRPTJER-HNNXBMFYSA-N -1 0 375.494 3.078 20 30 GGEDRM CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)Nc1ccccc1CC(=O)[O-] ZINC001588707291 960865551 /nfs/dbraw/zinc/86/55/51/960865551.db2.gz ZAAXJAKXSGJCIA-INIZCTEOSA-N -1 0 389.452 3.229 20 30 GGEDRM Cc1cc(N(CCC#N)C(=O)CN2CCC[C@@H](C)[C@H]2C(=O)[O-])ccc1Cl ZINC001574332537 960892727 /nfs/dbraw/zinc/89/27/27/960892727.db2.gz AIBNVQKORZPHAN-ACJLOTCBSA-N -1 0 377.872 3.080 20 30 GGEDRM Cc1cc(N(CCC#N)C(=O)CN2CCC[C@H](C)[C@H]2C(=O)[O-])ccc1Cl ZINC001574332542 960892815 /nfs/dbraw/zinc/89/28/15/960892815.db2.gz AIBNVQKORZPHAN-UGSOOPFHSA-N -1 0 377.872 3.080 20 30 GGEDRM CC[C@]1(C(=O)[O-])CCCN(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC001573818378 960928091 /nfs/dbraw/zinc/92/80/91/960928091.db2.gz BGDPISBHKJCNDY-SFHVURJKSA-N -1 0 382.382 3.343 20 30 GGEDRM C[C@H](NC(=O)C(C)(C)C)C(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC000237538259 960956099 /nfs/dbraw/zinc/95/60/99/960956099.db2.gz ZTAKQXIZWQBMCK-HNNXBMFYSA-N -1 0 392.455 3.274 20 30 GGEDRM CC(C)(C)OC(=O)N[C@@H]1C[C@H]1c1ccc(NC(=O)[C@](C)(C#N)CC(=O)[O-])cc1 ZINC001588725711 961043734 /nfs/dbraw/zinc/04/37/34/961043734.db2.gz PMPGBPISRWTIKW-MDOVXXIYSA-N -1 0 387.436 3.010 20 30 GGEDRM CC(C)(C)OC(=O)Nc1ccc2c(c1)CC[C@H]2NC(=O)[C@](C)(C#N)CC(=O)[O-] ZINC001588726238 961051452 /nfs/dbraw/zinc/05/14/52/961051452.db2.gz QBJCHRXJHRSUKJ-QRWLVFNGSA-N -1 0 387.436 3.142 20 30 GGEDRM N#CC1(C(=O)Nc2cc(I)cc(C(=O)[O-])c2)CCCC1 ZINC000237987982 961067219 /nfs/dbraw/zinc/06/72/19/961067219.db2.gz GCYWQZHZKFKQCM-UHFFFAOYSA-N -1 0 384.173 3.012 20 30 GGEDRM Cc1cccc(C(=O)[O-])c1NC(=O)COc1ccc(C#N)c(Br)c1 ZINC001574389012 961152612 /nfs/dbraw/zinc/15/26/12/961152612.db2.gz HPOUTJMAMCYQTM-UHFFFAOYSA-N -1 0 389.205 3.345 20 30 GGEDRM CC(C)(C)c1csc(NC(=O)NC[C@H]2CCC3(CC(C(=O)[O-])C3)O2)c1C#N ZINC001588746645 961180396 /nfs/dbraw/zinc/18/03/96/961180396.db2.gz IOAGCFJOLUEOEF-DKXWOSEQSA-N -1 0 391.493 3.451 20 30 GGEDRM CC(C)(Oc1ccc(C#N)cc1)C(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001588794636 961365675 /nfs/dbraw/zinc/36/56/75/961365675.db2.gz BFAQTOIETDNSJT-RBUKOAKNSA-N -1 0 378.428 3.042 20 30 GGEDRM Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001574444109 961440460 /nfs/dbraw/zinc/44/04/60/961440460.db2.gz RPWZDPBXQDZENQ-DOTOQJQBSA-N -1 0 375.384 3.293 20 30 GGEDRM Cn1nc(C(=O)[O-])cc1C(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N ZINC001574467158 961580158 /nfs/dbraw/zinc/58/01/58/961580158.db2.gz TXUIIELDACEMMM-UHFFFAOYSA-N -1 0 398.366 3.395 20 30 GGEDRM N#C[C@H](NC(=O)c1coc(/C=C/C(=O)[O-])c1)c1ccccc1Br ZINC001574473790 961634370 /nfs/dbraw/zinc/63/43/70/961634370.db2.gz CSMLJZWCWYAATR-GJBLVYBDSA-N -1 0 375.178 3.135 20 30 GGEDRM N#C[C@@H](NC(=O)c1coc(/C=C/C(=O)[O-])c1)c1cccc(Br)c1 ZINC001574473968 961636065 /nfs/dbraw/zinc/63/60/65/961636065.db2.gz GYYROJITAPEDPE-ISZGNANSSA-N -1 0 375.178 3.135 20 30 GGEDRM N#C[C@H](NC(=O)/C=C/c1ccc(C(=O)[O-])o1)c1cccc(Br)c1 ZINC001574474461 961639950 /nfs/dbraw/zinc/63/99/50/961639950.db2.gz OQSFPJWNMUKFSF-IYNGYCSASA-N -1 0 375.178 3.135 20 30 GGEDRM N#Cc1c(NC(=O)c2cccc(OCC(=O)[O-])c2)cccc1OC(F)(F)F ZINC001574479794 961652116 /nfs/dbraw/zinc/65/21/16/961652116.db2.gz NVNJRARBWZBQEZ-UHFFFAOYSA-N -1 0 380.278 3.173 20 30 GGEDRM N#Cc1cc(Oc2ccc(NC(=O)c3ccc(OCC(=O)[O-])cc3)cc2)ccn1 ZINC001574486403 961685355 /nfs/dbraw/zinc/68/53/55/961685355.db2.gz WTHCTZQHDQZQQX-UHFFFAOYSA-N -1 0 389.367 3.461 20 30 GGEDRM N#Cc1ccc(Cc2cnc(NC(=O)N3C[C@@H](C(=O)[O-])[C@H](C4CC4)C3)s2)cc1 ZINC001574487853 961691772 /nfs/dbraw/zinc/69/17/72/961691772.db2.gz JKXSGAUWJVLHRV-DLBZAZTESA-N -1 0 396.472 3.180 20 30 GGEDRM N#Cc1ccc(Oc2ccc(NC(=O)N3CCC[C@H](CC(=O)[O-])C3)cc2)nc1 ZINC001574488569 961697630 /nfs/dbraw/zinc/69/76/30/961697630.db2.gz SDTPQBQIKOZEFI-CQSZACIVSA-N -1 0 380.404 3.464 20 30 GGEDRM N#Cc1ccc(N(Cc2ccccc2)C(=O)c2ccc(OCC(=O)[O-])cc2)nc1 ZINC001574489014 961699770 /nfs/dbraw/zinc/69/97/70/961699770.db2.gz WOEKOEBKHSZRJL-UHFFFAOYSA-N -1 0 387.395 3.264 20 30 GGEDRM N#Cc1cccc(COc2ccc(NC(=O)[C@@H]3CO[C@@H](CCC(=O)[O-])C3)cc2)c1 ZINC001574489549 961704736 /nfs/dbraw/zinc/70/47/36/961704736.db2.gz JMSVUPJQDPDQSF-PXNSSMCTSA-N -1 0 394.427 3.346 20 30 GGEDRM N#Cc1sc2ccccc2c1S(=O)(=O)N1CCc2ccccc2[C@H]1C(=O)[O-] ZINC001574492906 961714664 /nfs/dbraw/zinc/71/46/64/961714664.db2.gz FGEYOJMXMWMCJC-KRWDZBQOSA-N -1 0 398.465 3.146 20 30 GGEDRM N#Cc1ccccc1Sc1ccc(C(=O)NCC2(C(=O)[O-])CCOCC2)cc1 ZINC001574494089 961724543 /nfs/dbraw/zinc/72/45/43/961724543.db2.gz WJJRIPSOSBWZOT-UHFFFAOYSA-N -1 0 396.468 3.321 20 30 GGEDRM C=CCOC[C@H](NC(=O)C1(c2cccc(Br)c2)CCCC1)C(=O)[O-] ZINC000262896238 961972321 /nfs/dbraw/zinc/97/23/21/961972321.db2.gz DHXGXGFENXBFHE-HNNXBMFYSA-N -1 0 396.281 3.033 20 30 GGEDRM C=CCOC[C@H](NC(=O)c1cnn(-c2cccc(Cl)c2)c1C(C)C)C(=O)[O-] ZINC000262916803 961998984 /nfs/dbraw/zinc/99/89/84/961998984.db2.gz FWUGJNNCJAJCMQ-INIZCTEOSA-N -1 0 391.855 3.035 20 30 GGEDRM C=CCOC[C@@H](NC(=O)c1ccccc1SCc1csc(C)n1)C(=O)[O-] ZINC000262994289 962086405 /nfs/dbraw/zinc/08/64/05/962086405.db2.gz LPRTXXLZRKRCHZ-OAHLLOKOSA-N -1 0 392.502 3.129 20 30 GGEDRM CC(C)CN(C(=O)C1=NN(c2ccccc2)[C@@H](C(=O)[O-])C1)c1ccc(C#N)cc1 ZINC001588872638 962096780 /nfs/dbraw/zinc/09/67/80/962096780.db2.gz YSQPYKJHLHIPOD-HXUWFJFHSA-N -1 0 390.443 3.267 20 30 GGEDRM CCCc1c(NC(=O)N2CCC(C(=O)[O-])CC2)cnn1-c1cccc(C#N)c1 ZINC000263051126 962182634 /nfs/dbraw/zinc/18/26/34/962182634.db2.gz NIFHWUCWPGCTBH-UHFFFAOYSA-N -1 0 381.436 3.025 20 30 GGEDRM COCCOc1ccc(C#N)cc1NC(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000263063698 962203147 /nfs/dbraw/zinc/20/31/47/962203147.db2.gz OXQRTKOQKGGYSW-UHFFFAOYSA-N -1 0 383.404 3.245 20 30 GGEDRM C=CCOC[C@H](NC(=O)c1sc2nc(C(F)(F)F)ccc2c1C)C(=O)[O-] ZINC000263071391 962211943 /nfs/dbraw/zinc/21/19/43/962211943.db2.gz RJVYIZODWUFFJH-JTQLQIEISA-N -1 0 388.367 3.009 20 30 GGEDRM C=CCOc1ccc(Br)cc1NC(=O)N1CCC(C(=O)[O-])CC1 ZINC000263121857 962275006 /nfs/dbraw/zinc/27/50/06/962275006.db2.gz MDPBEZHFNVJIPU-UHFFFAOYSA-N -1 0 383.242 3.342 20 30 GGEDRM CC[C@@](CNC(=O)CSCc1ccc(C#N)cc1)(C(=O)[O-])c1ccccc1 ZINC000263135837 962290710 /nfs/dbraw/zinc/29/07/10/962290710.db2.gz ZGOOXLHOOJTJMV-NRFANRHFSA-N -1 0 382.485 3.340 20 30 GGEDRM C=CCc1cc(C(=O)NC[C@](C)(C(=O)[O-])c2ccccc2)cc(OC)c1OC ZINC000263240662 962386130 /nfs/dbraw/zinc/38/61/30/962386130.db2.gz CFHPLIQGOUJTOF-QFIPXVFZSA-N -1 0 383.444 3.205 20 30 GGEDRM C=C[C@@H](CC(=O)N(CC(=O)[O-])Cc1cc(OC)cc(OC)c1)c1ccccc1 ZINC000263283825 962423006 /nfs/dbraw/zinc/42/30/06/962423006.db2.gz SZMDOCNBORGNGB-KRWDZBQOSA-N -1 0 383.444 3.477 20 30 GGEDRM CO[C@H](C(=O)[O-])C(=O)Nc1ccc(Sc2ccc(Cl)cc2C#N)cc1 ZINC001574106122 962438129 /nfs/dbraw/zinc/43/81/29/962438129.db2.gz SLOLYZWVEOCMEP-HNNXBMFYSA-N -1 0 376.821 3.401 20 30 GGEDRM CC(C)Oc1ccc(NC(=O)C2=NN(c3ccccc3)[C@@H](C(=O)[O-])C2)cc1C#N ZINC001588938049 962513393 /nfs/dbraw/zinc/51/33/93/962513393.db2.gz IFMQUYQDUYRQJF-GOSISDBHSA-N -1 0 392.415 3.003 20 30 GGEDRM COC[C@]1(C(=O)[O-])CCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C1 ZINC001574131676 962540887 /nfs/dbraw/zinc/54/08/87/962540887.db2.gz OPQZNZTZESHZMN-NRFANRHFSA-N -1 0 395.415 3.306 20 30 GGEDRM C#C[C@H](NC(=O)c1ccc(C(=O)[O-])cc1F)c1ccc(Br)cc1 ZINC001573301533 962630024 /nfs/dbraw/zinc/63/00/24/962630024.db2.gz ANRZJMUMFRWPPA-HNNXBMFYSA-N -1 0 376.181 3.391 20 30 GGEDRM C#C[C@H](NC(=O)NCCOc1ccc(C(=O)[O-])cc1)c1ccc(Cl)cc1F ZINC001573301527 962630347 /nfs/dbraw/zinc/63/03/47/962630347.db2.gz ALEJPKBWIVFSMC-KRWDZBQOSA-N -1 0 390.798 3.230 20 30 GGEDRM C#CC[C@@H](CCOC)NC(=O)c1ccccc1SCc1occc1C(=O)[O-] ZINC001573301730 962635874 /nfs/dbraw/zinc/63/58/74/962635874.db2.gz DGKUADYPEFIRIZ-AWEZNQCLSA-N -1 0 387.457 3.428 20 30 GGEDRM C#C[C@@H](NC(=O)C1(C(=O)[O-])CC2(CCC2)C1)c1ccc(Br)cc1 ZINC001573302189 962646303 /nfs/dbraw/zinc/64/63/03/962646303.db2.gz KTKZLQKWJMAXBM-CQSZACIVSA-N -1 0 376.250 3.275 20 30 GGEDRM C#CC[C@]1(C(=O)N2CCc3ccc(C(=O)[O-])cc32)CCCN1C(=O)OC(C)(C)C ZINC001573302691 962659526 /nfs/dbraw/zinc/65/95/26/962659526.db2.gz DNZHWKDAAICHOC-JOCHJYFZSA-N -1 0 398.459 3.067 20 30 GGEDRM C#CCN(C(=O)Nc1nc2n(c1C(=O)[O-])CCC2)[C@@H]1CCCc2ccccc21 ZINC001573302755 962661356 /nfs/dbraw/zinc/66/13/56/962661356.db2.gz ZQWVJUSQUSDKLU-MRXNPFEDSA-N -1 0 378.432 3.072 20 30 GGEDRM C#CC[C@@]1(C(=O)N2CCc3ccc(C(=O)[O-])cc32)CCCN1C(=O)OC(C)(C)C ZINC001573302711 962661463 /nfs/dbraw/zinc/66/14/63/962661463.db2.gz DNZHWKDAAICHOC-QFIPXVFZSA-N -1 0 398.459 3.067 20 30 GGEDRM C#C[C@H](NC(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1)[C@H]1CCCO1 ZINC001573303004 962668385 /nfs/dbraw/zinc/66/83/85/962668385.db2.gz TWXTWNKFIHLQIW-LEWJYISDSA-N -1 0 388.423 3.087 20 30 GGEDRM C#CC[C@@H](NC(=O)c1ccccc1CSc1nc2ccccc2o1)C(=O)[O-] ZINC001573302993 962668522 /nfs/dbraw/zinc/66/85/22/962668522.db2.gz ITXUWMASVKAXNP-MRXNPFEDSA-N -1 0 380.425 3.326 20 30 GGEDRM C#C[C@@H](NC(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1)[C@@H]1CCCO1 ZINC001573303009 962668794 /nfs/dbraw/zinc/66/87/94/962668794.db2.gz TWXTWNKFIHLQIW-RTWAWAEBSA-N -1 0 388.423 3.087 20 30 GGEDRM C#CC[C@H](NC(=O)c1ccccc1-c1ncc(-c2ccccc2F)o1)C(=O)[O-] ZINC001573304207 962686525 /nfs/dbraw/zinc/68/65/25/962686525.db2.gz ZSBRIJDGIPMKJO-KRWDZBQOSA-N -1 0 378.359 3.354 20 30 GGEDRM C#CC[C@@]1(C(=O)Nc2cc(C)cc(C(=O)[O-])c2)CCCN1C(=O)OC(C)(C)C ZINC001573304173 962686641 /nfs/dbraw/zinc/68/66/41/962686641.db2.gz ZDKCFINAMVMKOY-NRFANRHFSA-N -1 0 386.448 3.425 20 30 GGEDRM C=C(C)C[C@H](NC(=O)C[C@@H](NC(=O)c1ccc(C)cc1)c1ccccc1)C(=O)[O-] ZINC001573319808 962747132 /nfs/dbraw/zinc/74/71/32/962747132.db2.gz ATENHYXXOZPQAE-UXHICEINSA-N -1 0 394.471 3.392 20 30 GGEDRM C=C(C)C[C@@H](NC(=O)c1ccc(Br)c(OC(F)(F)F)c1)C(=O)[O-] ZINC001573320717 962751501 /nfs/dbraw/zinc/75/15/01/962751501.db2.gz FAWHTRWBJLWVQX-SNVBAGLBSA-N -1 0 396.159 3.497 20 30 GGEDRM C=C(C)CN(Cc1ccc(CO)o1)Cc1oc(Br)cc1C(=O)[O-] ZINC001573323505 962772747 /nfs/dbraw/zinc/77/27/47/962772747.db2.gz CAOMDKKDQNWPPN-UHFFFAOYSA-N -1 0 384.226 3.404 20 30 GGEDRM C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H](C)c1ncc(C(=O)[O-])s1 ZINC001573324588 962787143 /nfs/dbraw/zinc/78/71/43/962787143.db2.gz VBVDPIUOHONLAS-CYBMUJFWSA-N -1 0 391.497 3.468 20 30 GGEDRM C=C(C)Cn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001573325199 962793586 /nfs/dbraw/zinc/79/35/86/962793586.db2.gz GOHPTBMKMSQHBC-CYBMUJFWSA-N -1 0 391.269 3.195 20 30 GGEDRM C=C(C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(C(=O)[O-])[C@@H](C)C1 ZINC001573325788 962799035 /nfs/dbraw/zinc/79/90/35/962799035.db2.gz OJPAZAMJEGPIJC-KRWDZBQOSA-N -1 0 399.495 3.239 20 30 GGEDRM C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC001573329178 962812961 /nfs/dbraw/zinc/81/29/61/962812961.db2.gz AJWUPDUSTCAIFW-AWEZNQCLSA-N -1 0 382.844 3.037 20 30 GGEDRM C=C(CCC(=O)[O-])C(=O)N1CCCC[C@@H]1[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001573331769 962816662 /nfs/dbraw/zinc/81/66/62/962816662.db2.gz AHTDQFWGSFZODZ-JKSUJKDBSA-N -1 0 380.485 3.046 20 30 GGEDRM C=C(CCC(=O)[O-])C(=O)NCc1c(-c2ccc(F)cc2)nc2ccc(F)cn21 ZINC001573332162 962826103 /nfs/dbraw/zinc/82/61/03/962826103.db2.gz FFOQZTHXDZYVSQ-UHFFFAOYSA-N -1 0 385.370 3.317 20 30 GGEDRM C=C(CCC(=O)[O-])C(=O)N1CCC[C@H]1COc1ccc(Br)cc1 ZINC001573332354 962831328 /nfs/dbraw/zinc/83/13/28/962831328.db2.gz MHTNRNZHTJOBOT-AWEZNQCLSA-N -1 0 382.254 3.240 20 30 GGEDRM C=C(CCC(=O)[O-])C(=O)Nc1cc(C)n(CCCOc2ccc(F)cc2)n1 ZINC001573336757 962859781 /nfs/dbraw/zinc/85/97/81/962859781.db2.gz GGIOHWUQCGTDJT-UHFFFAOYSA-N -1 0 375.400 3.159 20 30 GGEDRM C=C(Cl)Cn1c(-c2cccc3cccnc32)nnc1N1CCN(C(=O)[O-])CC1 ZINC001573343463 962904281 /nfs/dbraw/zinc/90/42/81/962904281.db2.gz FEGNCHYTHBLHST-UHFFFAOYSA-N -1 0 398.854 3.046 20 30 GGEDRM C=CCC(C)(C)Cn1c(-c2cccn2C)nnc1N1CCN(C(=O)[O-])[C@@H](C)C1 ZINC001573351225 962975863 /nfs/dbraw/zinc/97/58/63/962975863.db2.gz QYPCUMWVPDOCOB-HNNXBMFYSA-N -1 0 386.500 3.074 20 30 GGEDRM C=CCC(C)(C)Cn1c(Cc2ccsc2)nnc1N1CCN(C(=O)[O-])CC1 ZINC001573351398 962978447 /nfs/dbraw/zinc/97/84/47/962978447.db2.gz STJJKWQZTZGQHH-UHFFFAOYSA-N -1 0 389.525 3.333 20 30 GGEDRM C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@]1(C(=O)[O-])CC[C@H](C)CC1 ZINC001573356513 963007730 /nfs/dbraw/zinc/00/77/30/963007730.db2.gz DBIOGTFLMNBTEZ-STXHMFSFSA-N -1 0 382.501 3.386 20 30 GGEDRM C=CCCC[C@H](NC(=O)Cc1c[nH]c2cc(Br)ccc12)C(=O)[O-] ZINC001573357013 963011886 /nfs/dbraw/zinc/01/18/86/963011886.db2.gz ISPCWJFNTNMQPP-AWEZNQCLSA-N -1 0 379.254 3.399 20 30 GGEDRM C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C(=O)[O-])c1cccs1 ZINC001573357250 963014923 /nfs/dbraw/zinc/01/49/23/963014923.db2.gz KOAXFOFDJROMIB-JSGCOSHPSA-N -1 0 382.482 3.240 20 30 GGEDRM C=CCCC1(CNC(=O)[C@@H](CCC(=O)[O-])NC(=O)OC(C)(C)C)CCCC1 ZINC001573358447 963027972 /nfs/dbraw/zinc/02/79/72/963027972.db2.gz ZISJOXHDYBIWHN-OAHLLOKOSA-N -1 0 382.501 3.387 20 30 GGEDRM C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCc2cc(C)c(C(=O)[O-])o2)cc1 ZINC001573359869 963029633 /nfs/dbraw/zinc/02/96/33/963029633.db2.gz AKUQWQMRGXINSL-UHFFFAOYSA-N -1 0 397.431 3.422 20 30 GGEDRM C=CCCc1ccc(S(=O)(=O)N[C@H](C)[C@H](Cc2ccccc2)C(=O)[O-])cc1 ZINC001573360067 963032272 /nfs/dbraw/zinc/03/22/72/963032272.db2.gz FRSZZDGGQFHAPH-UZLBHIALSA-N -1 0 387.501 3.416 20 30 GGEDRM C=CCCc1ccc(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@@H](c3ccccc3)C2)cc1 ZINC001573360165 963034407 /nfs/dbraw/zinc/03/44/07/963034407.db2.gz JGFSCNCILOHTSV-WOJBJXKFSA-N -1 0 385.485 3.294 20 30 GGEDRM C=CCCc1ccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@H]32)cc1 ZINC001573360427 963036773 /nfs/dbraw/zinc/03/67/73/963036773.db2.gz OOUAULZCLWBSNZ-CEXWTWQISA-N -1 0 377.506 3.459 20 30 GGEDRM C=CCCc1ccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@@H]32)cc1 ZINC001573360428 963037111 /nfs/dbraw/zinc/03/71/11/963037111.db2.gz OOUAULZCLWBSNZ-FHWLQOOXSA-N -1 0 377.506 3.459 20 30 GGEDRM C=CCCCn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)[O-])CC1 ZINC001573360425 963037357 /nfs/dbraw/zinc/03/73/57/963037357.db2.gz OMHNIKQZMOIBDK-UHFFFAOYSA-N -1 0 375.860 3.365 20 30 GGEDRM C=CCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@H](C(=O)[O-])C1 ZINC001573360422 963037504 /nfs/dbraw/zinc/03/75/04/963037504.db2.gz OIAJRQHLIFLANE-GJZGRUSLSA-N -1 0 388.443 3.434 20 30 GGEDRM C=CCCC[C@H](NC(=O)c1ccn(-c2ccccc2C(F)(F)F)n1)C(=O)[O-] ZINC001573364710 963051244 /nfs/dbraw/zinc/05/12/44/963051244.db2.gz AUBKRJIJLWIOFR-AWEZNQCLSA-N -1 0 381.354 3.430 20 30 GGEDRM C=CCCC[C@H](NS(=O)(=O)c1ccc(Br)c(Cl)c1)C(=O)[O-] ZINC001573366131 963059090 /nfs/dbraw/zinc/05/90/90/963059090.db2.gz JXYIVVDCPFMEAD-LBPRGKRZSA-N -1 0 396.690 3.190 20 30 GGEDRM C=CCCC[C@@H](NC(=O)c1cnc(-c2ccc(OC)c(OC)c2)s1)C(=O)[O-] ZINC001573366955 963062289 /nfs/dbraw/zinc/06/22/89/963062289.db2.gz QLHULJBOGVZSBR-CYBMUJFWSA-N -1 0 390.461 3.367 20 30 GGEDRM C=CCN(c1nnc([C@H]2CCOC2)n1Cc1cccc(NC(=O)[O-])c1)C1CC1 ZINC001573368577 963083196 /nfs/dbraw/zinc/08/31/96/963083196.db2.gz OLSLCJILJLCNBQ-HNNXBMFYSA-N -1 0 383.452 3.075 20 30 GGEDRM C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccc(OCC(=O)[O-])cc2)cc1 ZINC001573368990 963088919 /nfs/dbraw/zinc/08/89/19/963088919.db2.gz SPMPQVXHLNUQID-UHFFFAOYSA-N -1 0 394.427 3.217 20 30 GGEDRM C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(CCC(=O)[O-])CC1 ZINC001588445576 964066595 /nfs/dbraw/zinc/06/65/95/964066595.db2.gz LFYXWDBNRDKCQB-AWEZNQCLSA-N -1 0 388.892 3.126 20 30 GGEDRM C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001588445764 964067183 /nfs/dbraw/zinc/06/71/83/964067183.db2.gz RUCQXQIZTGWYJP-UONOGXRCSA-N -1 0 388.892 3.126 20 30 GGEDRM C#CCCCCn1c(CCc2ccccc2)nnc1N1CCC[C@H](C(=O)[O-])C1 ZINC001588446177 964068445 /nfs/dbraw/zinc/06/84/45/964068445.db2.gz CDFJDINRFXTGBW-IBGZPJMESA-N -1 0 380.492 3.168 20 30 GGEDRM C#CCCCCn1c(-c2cccc3cccnc32)nnc1N1CC[C@H](C(=O)[O-])C1 ZINC001588446590 964076580 /nfs/dbraw/zinc/07/65/80/964076580.db2.gz RUVVNKDJCNFCRT-KRWDZBQOSA-N -1 0 389.459 3.208 20 30 GGEDRM C#CCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@H](C(=O)[O-])C1 ZINC001588447313 964086377 /nfs/dbraw/zinc/08/63/77/964086377.db2.gz GDVUJKRLRKFIPF-LBPRGKRZSA-N -1 0 376.819 3.062 20 30 GGEDRM C#CCCN(CC(F)(F)F)S(=O)(=O)c1c2ccccc2sc1C(=O)[O-] ZINC001588447601 964088882 /nfs/dbraw/zinc/08/88/82/964088882.db2.gz MFTISHWJSBXKBV-UHFFFAOYSA-N -1 0 391.392 3.176 20 30 GGEDRM N#CC1(CS(=O)(=O)N2CCC(c3ccccc3C(=O)[O-])CC2)CCCCC1 ZINC000591350095 968486258 /nfs/dbraw/zinc/48/62/58/968486258.db2.gz NMAXALGKZRQVDK-UHFFFAOYSA-N -1 0 390.505 3.368 20 30 GGEDRM N#Cc1cccc(Oc2ccc(NC(=O)NCC3(C(=O)[O-])CCOCC3)cc2)c1 ZINC000592464948 968488665 /nfs/dbraw/zinc/48/86/65/968488665.db2.gz JMJSEOHWJOTQTJ-UHFFFAOYSA-N -1 0 395.415 3.353 20 30 GGEDRM CCCc1c(NC(=O)NCC2(C(=O)[O-])CCC2)cnn1-c1cccc(C#N)c1 ZINC000596063156 968505551 /nfs/dbraw/zinc/50/55/51/968505551.db2.gz UBKLYWIDDBBWBH-UHFFFAOYSA-N -1 0 381.436 3.073 20 30 GGEDRM COCCN(Cc1ccc(N2CCC(C(=O)[O-])CC2)o1)Cc1ccc(C#N)cc1 ZINC000904193379 969600357 /nfs/dbraw/zinc/60/03/57/969600357.db2.gz GOEIDENPUKNWHG-UHFFFAOYSA-N -1 0 397.475 3.101 20 30 GGEDRM C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)cc1 ZINC000925979498 969655841 /nfs/dbraw/zinc/65/58/41/969655841.db2.gz NOONGURIPCQZTB-RBUKOAKNSA-N -1 0 397.475 3.075 20 30 GGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)NCC1(c2ccc(Br)s2)CCC1 ZINC001609693004 970452321 /nfs/dbraw/zinc/45/23/21/970452321.db2.gz MHJBSRWBXZZYPT-AWEZNQCLSA-N -1 0 385.283 3.053 20 30 GGEDRM CC(C)(C)OC(=O)N[C@@H](CC(=O)[O-])c1noc(/C=C/c2ccccc2C#N)n1 ZINC001609758558 970521462 /nfs/dbraw/zinc/52/14/62/970521462.db2.gz RFNPPMGMYBWCBU-VFNNOXKTSA-N -1 0 384.392 3.152 20 30 GGEDRM Cc1c(C)n(C2CCCC2)c(NC(=O)CN2CCC[C@@H](C)[C@@H]2C(=O)[O-])c1C#N ZINC001605074421 972699864 /nfs/dbraw/zinc/69/98/64/972699864.db2.gz ORRMFCSVISQXIV-BFUOFWGJSA-N -1 0 386.496 3.215 20 30 GGEDRM Cc1c(C)n(C2CCCCC2)c(NC(=O)CN2CCC[C@]2(C)C(=O)[O-])c1C#N ZINC001605074697 972702421 /nfs/dbraw/zinc/70/24/21/972702421.db2.gz ZKNHGQNOPNLERM-OAQYLSRUSA-N -1 0 386.496 3.359 20 30 GGEDRM Cc1c(C)n(-c2ccccc2)c(NC(=O)[C@@H]2CO[C@@H](CCC(=O)[O-])C2)c1C#N ZINC001605074683 972703175 /nfs/dbraw/zinc/70/31/75/972703175.db2.gz XWXSWHMONVJVPM-RDJZCZTQSA-N -1 0 381.432 3.174 20 30 GGEDRM CN1c2cc(Br)ccc2N(C(=O)[C@@](C)(C#N)CC(=O)[O-])CC1(C)C ZINC001604231372 972734102 /nfs/dbraw/zinc/73/41/02/972734102.db2.gz NFYANJWQSHVRIL-QGZVFWFLSA-N -1 0 394.269 3.015 20 30 GGEDRM 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C=CCN(Cc1cccs1)C(=O)[C@H](C)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000662221975 975904058 /nfs/dbraw/zinc/90/40/58/975904058.db2.gz HSXCNSAJSGZEMH-KXBFYZLASA-N -1 0 384.501 3.335 20 30 GGEDRM CC(C)c1ccc([C@@]2(C)NC(=O)N(Cc3cccc(C(=O)[O-])c3C#N)C2=O)cc1 ZINC001591948380 976499311 /nfs/dbraw/zinc/49/93/11/976499311.db2.gz GJWUKAZQJKHELA-JOCHJYFZSA-N -1 0 391.427 3.347 20 30 GGEDRM CC(C)c1ccc(OCC2N=NC(=S)N2N=Cc2cc(C(=O)[O-])co2)cc1 ZINC001591973193 976573921 /nfs/dbraw/zinc/57/39/21/976573921.db2.gz UNFRYNJKNMKLNZ-UHFFFAOYSA-N -1 0 386.433 3.443 20 30 GGEDRM C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(=O)[O-] ZINC001592225940 977414021 /nfs/dbraw/zinc/41/40/21/977414021.db2.gz QECFQPDZJCXGFK-GJRWTSMGSA-N -1 0 387.505 3.204 20 30 GGEDRM C[C@](CC(=O)[O-])(NC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)C1CC1 ZINC001592297601 977638424 /nfs/dbraw/zinc/63/84/24/977638424.db2.gz LPYMWZAWMXANLW-LJQANCHMSA-N -1 0 384.461 3.370 20 30 GGEDRM C[C@@](CC(=O)[O-])(NC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)C1CC1 ZINC001592298393 977646759 /nfs/dbraw/zinc/64/67/59/977646759.db2.gz ZHHGZFPSHUYSKE-SFHVURJKSA-N -1 0 387.827 3.162 20 30 GGEDRM C[C@](CC(=O)[O-])(NS(=O)(=O)c1ccc(C#N)c(Cl)c1)c1cccc(F)c1 ZINC001592333430 977772683 /nfs/dbraw/zinc/77/26/83/977772683.db2.gz DDKMDYCBWZZTGK-QGZVFWFLSA-N -1 0 396.827 3.019 20 30 GGEDRM C[C@@H](CC(=O)[O-])CC(=O)O[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC001592394661 977946872 /nfs/dbraw/zinc/94/68/72/977946872.db2.gz DGJVJASZAWPYLQ-RYUDHWBXSA-N -1 0 392.477 3.260 20 30 GGEDRM C[C@@H](CCC#N)c1nnc(N2CCC(Nc3cccc(C(=O)[O-])c3)CC2)n1C ZINC001592470775 978225008 /nfs/dbraw/zinc/22/50/08/978225008.db2.gz LRSRIVBGJBFMGH-AWEZNQCLSA-N -1 0 382.468 3.001 20 30 GGEDRM C[C@@H](CCC#N)c1nnc(N2C[C@H](C)[C@@](C)(C(=O)[O-])C2)n1Cc1ccccc1 ZINC001592471739 978234078 /nfs/dbraw/zinc/23/40/78/978234078.db2.gz UZSQNWAYCFAXAH-QYWGDWMGSA-N -1 0 381.480 3.281 20 30 GGEDRM C=CCc1cc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(OC)cc2)cc(OC)c1OC ZINC000728153997 978293461 /nfs/dbraw/zinc/29/34/61/978293461.db2.gz CTELRHUENWUBCE-SFHVURJKSA-N -1 0 399.443 3.387 20 30 GGEDRM O=C([O-])COc1ccc(C=NNc2ccc(OC(F)F)cc2)cc1[N+](=O)[O-] ZINC000731558607 978298693 /nfs/dbraw/zinc/29/86/93/978298693.db2.gz ZFFIIMGRNFZVJJ-UHFFFAOYSA-N -1 0 381.291 3.106 20 30 GGEDRM C[C@H](OC(=O)c1ccccc1NC(=O)[O-])C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000736696473 978348932 /nfs/dbraw/zinc/34/89/32/978348932.db2.gz JBYRRSPFSOLGNS-JTQLQIEISA-N -1 0 387.779 3.486 20 30 GGEDRM N#CCc1ccc(Oc2ccc(C(=O)N3CCSC[C@@H]3C(=O)[O-])cc2)cc1 ZINC000738425952 978536623 /nfs/dbraw/zinc/53/66/23/978536623.db2.gz QPSRGROPZILTES-GOSISDBHSA-N -1 0 382.441 3.187 20 30 GGEDRM N#CCCN(C(=O)CSc1ncccc1C(=O)[O-])c1cccc(Cl)c1 ZINC000738428675 978537362 /nfs/dbraw/zinc/53/73/62/978537362.db2.gz QGVPTXNINJWISD-UHFFFAOYSA-N -1 0 375.837 3.472 20 30 GGEDRM N#Cc1ccccc1OCc1cccc(C(=O)Nc2nc(CC(=O)[O-])cs2)c1 ZINC000738435000 978538015 /nfs/dbraw/zinc/53/80/15/978538015.db2.gz IUEUWAIGBWEWGS-UHFFFAOYSA-N -1 0 393.424 3.473 20 30 GGEDRM C[C@H](CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(C#N)c1)C(=O)[O-] ZINC001592609552 978555815 /nfs/dbraw/zinc/55/58/15/978555815.db2.gz CKNXIATXTWPQCO-CYBMUJFWSA-N -1 0 392.864 3.123 20 30 GGEDRM N#Cc1ccccc1OCc1cccc(C(=O)Nc2cc(C(=O)[O-])c[nH]c2=O)c1 ZINC000739142484 978619402 /nfs/dbraw/zinc/61/94/02/978619402.db2.gz MZLAIIYNRQGBAR-UHFFFAOYSA-N -1 0 389.367 3.188 20 30 GGEDRM COc1cc(C(=O)[O-])ccc1N=NCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000756898968 978700595 /nfs/dbraw/zinc/70/05/95/978700595.db2.gz JWSIHBKAKGFNIA-UHFFFAOYSA-N -1 0 377.441 3.438 20 30 GGEDRM COc1cc(C(=O)[O-])ccc1NN=C1C(=O)Nc2c1cccc2C(F)(F)F ZINC000756901445 978701609 /nfs/dbraw/zinc/70/16/09/978701609.db2.gz QBEIOGBTRPEQMK-UHFFFAOYSA-N -1 0 379.294 3.181 20 30 GGEDRM COc1cc(C(=O)[O-])ccc1NN=Cc1ccc(OC(=O)C2CC2)c(OC)c1 ZINC000756905850 978702253 /nfs/dbraw/zinc/70/22/53/978702253.db2.gz MXAHBMKKKAANON-UHFFFAOYSA-N -1 0 384.388 3.163 20 30 GGEDRM O=C([O-])COc1ccc(/C=C\C(=O)c2cc(Br)ncc2F)cc1 ZINC000762428227 978720047 /nfs/dbraw/zinc/72/00/47/978720047.db2.gz XKOHWMYFTZGTTA-UTCJRWHESA-N -1 0 380.169 3.343 20 30 GGEDRM COc1ccc(-c2ccc(CN=Nc3ccc(C(=O)[O-])cn3)o2)c([N+](=O)[O-])c1 ZINC000763367944 978720535 /nfs/dbraw/zinc/72/05/35/978720535.db2.gz JIXYJUUWEBPBSC-UHFFFAOYSA-N -1 0 382.332 3.403 20 30 GGEDRM O=C([O-])c1ccc(N=NCc2cnn(-c3ccc(Br)cc3)c2)nc1 ZINC000763367460 978720611 /nfs/dbraw/zinc/72/06/11/978720611.db2.gz ADMIZMJKNKNVME-UHFFFAOYSA-N -1 0 386.209 3.174 20 30 GGEDRM COc1ccc(CN=Nc2ccc(C(=O)[O-])cn2)cc1OCc1cccnc1 ZINC000763372110 978722637 /nfs/dbraw/zinc/72/26/37/978722637.db2.gz SNXWGGZDMYXQEC-UHFFFAOYSA-N -1 0 378.388 3.208 20 30 GGEDRM O=C([O-])c1ccc(N=NCc2cn(-c3ccccc3)nc2-c2ccncc2)nc1 ZINC000763372130 978722664 /nfs/dbraw/zinc/72/26/64/978722664.db2.gz ULQMSVNZBVGGJD-UHFFFAOYSA-N -1 0 384.399 3.474 20 30 GGEDRM C=CCOc1ccc(/C=C/C(=O)NC[C@H](C(=O)[O-])c2ccccc2)cc1OC ZINC000767197523 978736514 /nfs/dbraw/zinc/73/65/14/978736514.db2.gz HJOUIVQJBGYISM-KSEUIEODSA-N -1 0 381.428 3.258 20 30 GGEDRM COc1cc(C(=O)[O-])ccc1N=NC[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000776726960 978775294 /nfs/dbraw/zinc/77/52/94/978775294.db2.gz WVMWQGGXKCKLAP-IBGZPJMESA-N -1 0 377.441 3.438 20 30 GGEDRM Cc1cc2ccccc2nc1NN=Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC000776786123 978775753 /nfs/dbraw/zinc/77/57/53/978775753.db2.gz QACKAMWUNQYDBS-UHFFFAOYSA-N -1 0 380.360 3.361 20 30 GGEDRM C=CCOc1ccc(/C=C/C(=O)N2Cc3ccccc3[C@@H](C(=O)[O-])C2)cc1OC ZINC000777368209 978776893 /nfs/dbraw/zinc/77/68/93/978776893.db2.gz CCLHJZJJZMQIPW-JARZOMNASA-N -1 0 393.439 3.484 20 30 GGEDRM C=CCOc1ccc(/C=C\C(=O)N2Cc3ccccc3[C@@H](C(=O)[O-])C2)cc1OC ZINC000777368210 978776920 /nfs/dbraw/zinc/77/69/20/978776920.db2.gz CCLHJZJJZMQIPW-JQYPEGPJSA-N -1 0 393.439 3.484 20 30 GGEDRM COc1cc(C(=O)[O-])ccc1N=NC[C@@H]1CC(F)(F)CN1C(=O)OC(C)(C)C ZINC000793033946 978801263 /nfs/dbraw/zinc/80/12/63/978801263.db2.gz HBOPMYVGSXJHET-LBPRGKRZSA-N -1 0 399.394 3.436 20 30 GGEDRM Cc1ccc(C2N=NC(=S)N2N=Cc2cn(CC(=O)[O-])c3ccccc23)cc1 ZINC000799868475 978842725 /nfs/dbraw/zinc/84/27/25/978842725.db2.gz XUYFLMJXPCWOQT-UHFFFAOYSA-N -1 0 391.456 3.464 20 30 GGEDRM CCOC(=O)[C@@H]1C/C(=C/c2ccc(OCC(=O)[O-])cc2)C(=O)c2ccccc21 ZINC000802708931 978848855 /nfs/dbraw/zinc/84/88/55/978848855.db2.gz YBWJTSSAJWOVLI-ILCZHQDMSA-N -1 0 380.396 3.467 20 30 GGEDRM CC(=NNc1ccccc1S(=O)(=O)NC(C)(C)C)c1cc(C(=O)[O-])cs1 ZINC000814812880 978887475 /nfs/dbraw/zinc/88/74/75/978887475.db2.gz BRVZBPJTZMEZEB-UHFFFAOYSA-N -1 0 395.506 3.359 20 30 GGEDRM C[C@@H]1C(N=Nc2ccccc2S(=O)(=O)NC(C)(C)C)CC[C@@H]1CC(=O)[O-] ZINC000814813573 978888264 /nfs/dbraw/zinc/88/82/64/978888264.db2.gz SXUIVOFLOPNEKJ-QWHCGFSZSA-N -1 0 381.498 3.052 20 30 GGEDRM C[C@H]1C(N=Nc2cc(C(F)(F)F)nc(-c3ccncc3)n2)CC[C@@H]1CC(=O)[O-] ZINC000814853317 978892992 /nfs/dbraw/zinc/89/29/92/978892992.db2.gz CLVHAZBAEYZTQS-ZYHUDNBSSA-N -1 0 393.369 3.268 20 30 GGEDRM C=CCn1c(COc2ccccc2)nn(CN2CCC[C@H]2CC(=O)[O-])c1=S ZINC000825711021 978940835 /nfs/dbraw/zinc/94/08/35/978940835.db2.gz LRXSPEQKRKMIJR-HNNXBMFYSA-N -1 0 388.493 3.076 20 30 GGEDRM N#Cc1ccc(N2CCN([C@@H](C(=O)[O-])c3ccc(Cl)cc3Cl)CC2)nc1 ZINC000833073633 979077615 /nfs/dbraw/zinc/07/76/15/979077615.db2.gz SLCFSWORUZISSU-QGZVFWFLSA-N -1 0 391.258 3.208 20 30 GGEDRM N#Cc1ccnc(N2CCN([C@@H](C(=O)[O-])c3ccc(Cl)cc3Cl)CC2)c1 ZINC000833076963 979078113 /nfs/dbraw/zinc/07/81/13/979078113.db2.gz UWQCPNISBOXTIQ-QGZVFWFLSA-N -1 0 391.258 3.208 20 30 GGEDRM O=C([O-])c1cccc(C#Cc2cccc(NC(=O)NC[C@@H]3CCC[C@H](O)C3)c2)c1 ZINC000833138600 979091929 /nfs/dbraw/zinc/09/19/29/979091929.db2.gz HAPKLHOYLNBLPS-NQIIRXRSSA-N -1 0 392.455 3.457 20 30 GGEDRM CCC(CC)(CC(=O)[O-])C(=O)O[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC001595047667 979257943 /nfs/dbraw/zinc/25/79/43/979257943.db2.gz CYIFYKLHPRJFON-NSHDSACASA-N -1 0 380.828 3.363 20 30 GGEDRM CCC(CC)(CC(=O)[O-])NS(=O)(=O)c1sc2ccc(C#N)cc2c1C ZINC001595057737 979301936 /nfs/dbraw/zinc/30/19/36/979301936.db2.gz HAGWQYRTHVLTMZ-UHFFFAOYSA-N -1 0 380.491 3.393 20 30 GGEDRM C[C@@](CO)(NCc1cccc(C(=O)[O-])c1C#N)c1cccc(Br)c1 ZINC001592751546 979325803 /nfs/dbraw/zinc/32/58/03/979325803.db2.gz YOQJQGCJVDNVKK-SFHVURJKSA-N -1 0 389.249 3.016 20 30 GGEDRM CCC(CC)CN(CCC#N)S(=O)(=O)c1cccc2c1ccnc2C(=O)[O-] ZINC001595111277 979457322 /nfs/dbraw/zinc/45/73/22/979457322.db2.gz DHLYADFOYMIRJP-UHFFFAOYSA-N -1 0 389.477 3.274 20 30 GGEDRM C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CCC(Cc2ncc(C(=O)[O-])s2)CC1 ZINC001592834619 979577711 /nfs/dbraw/zinc/57/77/11/979577711.db2.gz SPUBRUIAFXYPEG-CQSZACIVSA-N -1 0 397.500 3.373 20 30 GGEDRM CC[C@H](CNC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1)C(=O)[O-] ZINC001595139061 979586796 /nfs/dbraw/zinc/58/67/96/979586796.db2.gz YOHXTYRTFZPWIT-CYBMUJFWSA-N -1 0 377.872 3.045 20 30 GGEDRM C[C@](Cc1ccc(Cl)cc1)(NC(=O)c1cc(F)c(C#N)c(F)c1)C(=O)[O-] ZINC001592839068 979595050 /nfs/dbraw/zinc/59/50/50/979595050.db2.gz CFMUPXFNEGYPPO-GOSISDBHSA-N -1 0 378.762 3.306 20 30 GGEDRM C[C@@H](Cc1ccc(NC(=O)N2CCN(c3ccc(C#N)cc3)CC2)cc1)C(=O)[O-] ZINC001592860215 979688480 /nfs/dbraw/zinc/68/84/80/979688480.db2.gz GLIQIXWCLBWQGE-INIZCTEOSA-N -1 0 392.459 3.176 20 30 GGEDRM C[C@H](Cc1ccc(NC(=O)N2CC(Oc3ccc(C#N)cc3)C2)cc1)C(=O)[O-] ZINC001592861724 979701580 /nfs/dbraw/zinc/70/15/80/979701580.db2.gz WEVXZAUUHDPUSG-CQSZACIVSA-N -1 0 379.416 3.117 20 30 GGEDRM CCO[C@H](C(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1)[C@@H]1CCOC1 ZINC000864121063 979717225 /nfs/dbraw/zinc/71/72/25/979717225.db2.gz GWSDBGDRKHBUJR-CTNGQTDRSA-N -1 0 393.439 3.165 20 30 GGEDRM C=C(C)C[C@@H](NC(=O)C[C@@H](NC(=O)OC(C)(C)C)c1ccccc1)C(=O)[O-] ZINC000864187115 979832459 /nfs/dbraw/zinc/83/24/59/979832459.db2.gz DPAQMDYJJFRJQK-HZPDHXFCSA-N -1 0 376.453 3.178 20 30 GGEDRM C=C(C)C[C@@H](NC(=O)c1ccc(OC(F)(F)F)cc1Br)C(=O)[O-] ZINC000864187448 979833668 /nfs/dbraw/zinc/83/36/68/979833668.db2.gz LIWCOPDDQCIHFS-LLVKDONJSA-N -1 0 396.159 3.497 20 30 GGEDRM C=C(C)C[C@H](NC(=O)COc1ccc(C2SCCCS2)cc1)C(=O)[O-] ZINC000864187747 979834735 /nfs/dbraw/zinc/83/47/35/979834735.db2.gz NZFQFRISHMZVSI-HNNXBMFYSA-N -1 0 381.519 3.470 20 30 GGEDRM C[C@H](Cc1cnc2ccccc2n1)C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC001592907998 979861786 /nfs/dbraw/zinc/86/17/86/979861786.db2.gz VRRPEMLCVANICP-YJYMSZOUSA-N -1 0 375.384 3.049 20 30 GGEDRM CC[C@H](Cc1ccccc1)N(CC)S(=O)(=O)c1ccc(C#N)cc1C(=O)[O-] ZINC001595213402 980006136 /nfs/dbraw/zinc/00/61/36/980006136.db2.gz QVPJOILEBONCQV-QGZVFWFLSA-N -1 0 386.473 3.288 20 30 GGEDRM CC[C@@H](Cc1ccccc1)N(CC)S(=O)(=O)c1ccc(C#N)cc1C(=O)[O-] ZINC001595213401 980006199 /nfs/dbraw/zinc/00/61/99/980006199.db2.gz QVPJOILEBONCQV-KRWDZBQOSA-N -1 0 386.473 3.288 20 30 GGEDRM CC[C@@](NC(=O)Cc1ccc(OCC#N)cc1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595243318 980174871 /nfs/dbraw/zinc/17/48/71/980174871.db2.gz ZYICWMSFZMQOHY-FQEVSTJZSA-N -1 0 386.835 3.291 20 30 GGEDRM CC[C@@H](NC(=O)N1CCC(C#N)(C(=O)[O-])CC1)c1nc(C(F)(F)F)cs1 ZINC001595247769 980193682 /nfs/dbraw/zinc/19/36/82/980193682.db2.gz SFUDOMPISOKBIP-SECBINFHSA-N -1 0 390.387 3.013 20 30 GGEDRM C[C@@H](NC(=O)C1(c2cc(F)cc(C#N)c2)CC1)c1ccc(OCC(=O)[O-])cc1 ZINC001592999385 980213186 /nfs/dbraw/zinc/21/31/86/980213186.db2.gz ZMDQPYHBPWCLFT-CYBMUJFWSA-N -1 0 382.391 3.070 20 30 GGEDRM CC(C)(C(=O)[O-])[C@@H]1CCCN(S(=O)(=O)c2c(C#N)sc3ccccc32)C1 ZINC000899927404 980234734 /nfs/dbraw/zinc/23/47/34/980234734.db2.gz PRHVHWGWVQBMGP-GFCCVEGCSA-N -1 0 392.502 3.284 20 30 GGEDRM C[C@H](NC(=O)N1CCC(C#N)(C(=O)[O-])CC1)c1nc(-c2ccccc2)cs1 ZINC001593051923 980351238 /nfs/dbraw/zinc/35/12/38/980351238.db2.gz NQAQYZVLFXZKSE-ZDUSSCGKSA-N -1 0 384.461 3.271 20 30 GGEDRM CC[C@](NS(=O)(=O)c1c(C)cccc1C#N)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595311028 980470428 /nfs/dbraw/zinc/47/04/28/980470428.db2.gz OSXZHGWHJFHDLE-GOSISDBHSA-N -1 0 392.864 3.189 20 30 GGEDRM C=CCOC[C@@H](NCc1cnc(-c2ccc(Br)cc2)s1)C(=O)[O-] ZINC000901810306 980531562 /nfs/dbraw/zinc/53/15/62/980531562.db2.gz KVRKCZFSEBCKAH-CQSZACIVSA-N -1 0 397.294 3.318 20 30 GGEDRM C=CCOC[C@H](NCc1cnc(-c2ccc(Br)cc2)s1)C(=O)[O-] ZINC000901810304 980531691 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ZINC001588413527 983431171 /nfs/dbraw/zinc/43/11/71/983431171.db2.gz ACCQBADOQYSAOL-MRXNPFEDSA-N -1 0 389.249 3.063 20 30 GGEDRM C#CC[C@@H](NC(=O)c1ccccc1C(=O)c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC001588417011 983437990 /nfs/dbraw/zinc/43/79/90/983437990.db2.gz USBLLSOUBIHQQC-MRXNPFEDSA-N -1 0 390.222 3.431 20 30 GGEDRM C#CC[C@H](NC(=O)c1ccccc1CSc1nc2ccccc2[nH]1)C(=O)[O-] ZINC001588417102 983438626 /nfs/dbraw/zinc/43/86/26/983438626.db2.gz XSSHPOABIUDUEM-KRWDZBQOSA-N -1 0 379.441 3.062 20 30 GGEDRM C#CC[C@@]1(C(=O)O[C@H](C)c2ccc(C(=O)[O-])o2)CCCN1C(=O)OC(C)(C)C ZINC001588427631 983457118 /nfs/dbraw/zinc/45/71/18/983457118.db2.gz GRXVJDVNRYPATC-XCLFUZPHSA-N -1 0 391.420 3.375 20 30 GGEDRM C#CCC1(NC(=O)Nc2cccc(CSCCC(=O)[O-])c2)CCOCC1 ZINC001588427982 983459209 /nfs/dbraw/zinc/45/92/09/983459209.db2.gz VBHOYTDPSNGDKU-UHFFFAOYSA-N -1 0 376.478 3.089 20 30 GGEDRM C#CC[C@]1(C(=O)Nc2cccc(CC(=O)[O-])c2)CCCN1C(=O)OC(C)(C)C ZINC001588428146 983460110 /nfs/dbraw/zinc/46/01/10/983460110.db2.gz CTUOBYVJYJPOKX-OAQYLSRUSA-N -1 0 386.448 3.045 20 30 GGEDRM C#CC[C@]1(C(=O)N2Cc3ccc(C(=O)[O-])cc3C2)CCCN1C(=O)OC(C)(C)C ZINC001588428426 983461766 /nfs/dbraw/zinc/46/17/66/983461766.db2.gz NXLDCHXZBHAQNY-JOCHJYFZSA-N -1 0 398.459 3.020 20 30 GGEDRM C#CC[C@@]1(C(=O)Nc2ccc(C)c(C(=O)[O-])c2)CCCN1C(=O)OC(C)(C)C ZINC001588428729 983463366 /nfs/dbraw/zinc/46/33/66/983463366.db2.gz ZBUCJMLAIMQYOA-NRFANRHFSA-N -1 0 386.448 3.425 20 30 GGEDRM C#CC[C@H]1CCCN(C(=O)NCc2cccc(-c3nc(C(=O)[O-])cs3)c2)C1 ZINC001588431104 983464709 /nfs/dbraw/zinc/46/47/09/983464709.db2.gz GVMQTFMYEJGKJF-AWEZNQCLSA-N -1 0 383.473 3.453 20 30 GGEDRM C#CCCOc1ccc(C(=O)N[C@H](C(=O)[O-])c2ccc(OC)c(Cl)c2)cc1 ZINC001588455512 983479877 /nfs/dbraw/zinc/47/98/77/983479877.db2.gz OMPKZCGYMRWYLP-SFHVURJKSA-N -1 0 387.819 3.306 20 30 GGEDRM C#CCCOc1ccc(C(=O)N2CCc3[nH]c4ccc(C(=O)[O-])cc4c3C2)cc1 ZINC001588455806 983480535 /nfs/dbraw/zinc/48/05/35/983480535.db2.gz UGMHUQTZLHXAKA-UHFFFAOYSA-N -1 0 388.423 3.467 20 30 GGEDRM C#CCCOc1ccc(C(=O)N2CCC[C@H](c3ncc(C(=O)[O-])s3)C2)cc1 ZINC001588455899 983480810 /nfs/dbraw/zinc/48/08/10/983480810.db2.gz VUUGBPLQHMFMPL-HNNXBMFYSA-N -1 0 384.457 3.263 20 30 GGEDRM C#CCN(C(=O)C(=C)CCC(=O)[O-])[C@H]1CCOc2ccc(Br)cc21 ZINC001588457924 983482831 /nfs/dbraw/zinc/48/28/31/983482831.db2.gz JTZHHGYRAWVXEW-HNNXBMFYSA-N -1 0 392.249 3.156 20 30 GGEDRM CCN(C(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1)c1ccccc1C(=O)[O-] ZINC001596136550 983484396 /nfs/dbraw/zinc/48/43/96/983484396.db2.gz CUMUJVHMBRCSHU-OAHLLOKOSA-N -1 0 381.407 3.275 20 30 GGEDRM C#CCN(C(=O)CCCCC(=O)[O-])[C@@H]1CCOc2ccc(Br)cc21 ZINC001588459577 983485047 /nfs/dbraw/zinc/48/50/47/983485047.db2.gz CIJIWGYKOMJLCV-OAHLLOKOSA-N -1 0 394.265 3.380 20 30 GGEDRM C#CCN([C@H]1CCCc2ccccc21)S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC001588463595 983491333 /nfs/dbraw/zinc/49/13/33/983491333.db2.gz CNJSKAWSAQONGL-INIZCTEOSA-N -1 0 375.471 3.148 20 30 GGEDRM C#CCN(C1CCCCC1)S(=O)(=O)c1cc(C(=O)[O-])cc(C(F)(F)F)c1 ZINC001588463628 983491807 /nfs/dbraw/zinc/49/18/07/983491807.db2.gz GCNZETUOGGOAOT-UHFFFAOYSA-N -1 0 389.395 3.360 20 30 GGEDRM C#CCN([C@@H]1CCCc2ccccc21)S(=O)(=O)c1cccc(C)c1C(=O)[O-] ZINC001588463996 983492804 /nfs/dbraw/zinc/49/28/04/983492804.db2.gz SGNOFQFCNOZJLB-GOSISDBHSA-N -1 0 383.469 3.395 20 30 GGEDRM C#CCN([C@@H]1CCCc2ccccc21)S(=O)(=O)c1ccc(F)cc1C(=O)[O-] ZINC001588464176 983493265 /nfs/dbraw/zinc/49/32/65/983493265.db2.gz YRGOQFYUXLTAGG-GOSISDBHSA-N -1 0 387.432 3.225 20 30 GGEDRM C#CCN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC001588464168 983493268 /nfs/dbraw/zinc/49/32/68/983493268.db2.gz YFTKKDSODJHQPM-UHFFFAOYSA-N -1 0 389.395 3.360 20 30 GGEDRM C#CCN([C@@H]1CCCc2ccccc21)S(=O)(=O)CC1(C(=O)[O-])CCCCC1 ZINC001588464159 983493415 /nfs/dbraw/zinc/49/34/15/983493415.db2.gz WUAIHBQDYXFMOK-LJQANCHMSA-N -1 0 389.517 3.364 20 30 GGEDRM C#CCN(CC#CC)Cc1ccc(OCc2ccc(C(=O)[O-])o2)c(OCC)c1 ZINC001588464779 983494563 /nfs/dbraw/zinc/49/45/63/983494563.db2.gz KRGFVLPDGYMOAE-UHFFFAOYSA-N -1 0 381.428 3.414 20 30 GGEDRM C#CCN(CC(=O)Nc1ccc2sc(C(=O)[O-])cc2c1)C(=O)OC(C)(C)C ZINC001588465708 983496213 /nfs/dbraw/zinc/49/62/13/983496213.db2.gz CVJHLPIEUUBWPD-UHFFFAOYSA-N -1 0 388.445 3.408 20 30 GGEDRM C#CCN(Cc1ccccc1)C(=O)Nc1sc(C(=O)OC)c(C)c1C(=O)[O-] ZINC001588469274 983501142 /nfs/dbraw/zinc/50/11/42/983501142.db2.gz AJBNHBATBXXXED-UHFFFAOYSA-N -1 0 386.429 3.209 20 30 GGEDRM CCN(C(=O)OC(C)(C)C)C1CCN(Cc2cccc(C(=O)[O-])c2C#N)CC1 ZINC001596155611 983513586 /nfs/dbraw/zinc/51/35/86/983513586.db2.gz GXIOQUYVFMRQNA-UHFFFAOYSA-N -1 0 387.480 3.478 20 30 GGEDRM C#CCOc1ccc(CNS(=O)(=O)c2cc3ccccc3cc2C(=O)[O-])cc1 ZINC001588497708 983540707 /nfs/dbraw/zinc/54/07/07/983540707.db2.gz WNBLTBJFIRZNDH-UHFFFAOYSA-N -1 0 395.436 3.029 20 30 GGEDRM C#CCOc1ccc(NC(=O)NCc2ccc(OCCCC(=O)[O-])cc2)cc1 ZINC001588497779 983541058 /nfs/dbraw/zinc/54/10/58/983541058.db2.gz AQURGIIBQXMYDS-UHFFFAOYSA-N -1 0 382.416 3.264 20 30 GGEDRM C#CCOc1ccc(NC(=O)N[C@](C)(CC(=O)[O-])c2cccc(OC)c2)cc1 ZINC001588497945 983542571 /nfs/dbraw/zinc/54/25/71/983542571.db2.gz MIRWLZKRJCOLEA-OAQYLSRUSA-N -1 0 382.416 3.219 20 30 GGEDRM C#CCOc1cc(F)ccc1NC(=O)N1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC001588499267 983545381 /nfs/dbraw/zinc/54/53/81/983545381.db2.gz STQDWHVVTZCVCH-IAGOWNOFSA-N -1 0 382.391 3.170 20 30 GGEDRM C#CCOc1cccc(NC(=O)NCc2ccc(OCCCC(=O)[O-])cc2)c1 ZINC001588504000 983546261 /nfs/dbraw/zinc/54/62/61/983546261.db2.gz CVPLIKANFUTEDF-UHFFFAOYSA-N -1 0 382.416 3.264 20 30 GGEDRM C#CCOc1cccc(NC(=O)N[C@](C)(CC(=O)[O-])c2cccc(OC)c2)c1 ZINC001588504523 983548208 /nfs/dbraw/zinc/54/82/08/983548208.db2.gz ZIAOOBCHGMGTPB-OAQYLSRUSA-N -1 0 382.416 3.219 20 30 GGEDRM CCN([C@H](C)c1ccc(C#N)cc1)S(=O)(=O)c1ccc(C(=O)[O-])cc1OC ZINC001596178563 983548694 /nfs/dbraw/zinc/54/86/94/983548694.db2.gz SXTTXAVEKYGLFX-CYBMUJFWSA-N -1 0 388.445 3.037 20 30 GGEDRM C#CCOc1ccccc1OS(=O)(=O)c1cccc2c(C(=O)[O-])cccc21 ZINC001588505165 983549849 /nfs/dbraw/zinc/54/98/49/983549849.db2.gz XEDPAVCJIPYOJN-UHFFFAOYSA-N -1 0 382.393 3.318 20 30 GGEDRM C#CCn1ccc(CN(CC)C(=O)Nc2cccc(C(=O)[O-])c2OC(C)C)n1 ZINC001588509372 983552442 /nfs/dbraw/zinc/55/24/42/983552442.db2.gz AVWIYWSSGXEEGG-UHFFFAOYSA-N -1 0 384.436 3.056 20 30 GGEDRM C#CCSCCn1c(-c2ccc(CC)cc2)nnc1N1CCC(C(=O)[O-])CC1 ZINC001588509944 983554366 /nfs/dbraw/zinc/55/43/66/983554366.db2.gz VRPMSBWVGMDZSN-UHFFFAOYSA-N -1 0 398.532 3.175 20 30 GGEDRM C#Cc1ccc(C(=O)N(C(C)C)[C@H](C)C(=O)Nc2c(C)csc2C(=O)[O-])cn1 ZINC001588510254 983554796 /nfs/dbraw/zinc/55/47/96/983554796.db2.gz BQVPBEKRFIHPRO-CYBMUJFWSA-N -1 0 399.472 3.009 20 30 GGEDRM C#Cc1ccc(C(=O)N(C)[C@@H](C(=O)[O-])c2ccc(Br)s2)cc1 ZINC001588510451 983555668 /nfs/dbraw/zinc/55/56/68/983555668.db2.gz GVEBURBSQLHDOT-CQSZACIVSA-N -1 0 378.247 3.390 20 30 GGEDRM C#Cc1cccc(NC(=O)CN[C@@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)c1 ZINC001588523228 983571892 /nfs/dbraw/zinc/57/18/92/983571892.db2.gz BRMGIQQKNMDNNJ-QGZVFWFLSA-N -1 0 377.227 3.329 20 30 GGEDRM C#Cc1cccc(NC(=O)CN(C)[C@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)c1 ZINC001588523910 983573692 /nfs/dbraw/zinc/57/36/92/983573692.db2.gz XYHSHFFXPSUFDL-SFHVURJKSA-N -1 0 390.361 3.383 20 30 GGEDRM C#Cc1cncc(C(=O)N(C(C)C)[C@H](C)C(=O)Nc2c(C)csc2C(=O)[O-])c1 ZINC001588528747 983577762 /nfs/dbraw/zinc/57/77/62/983577762.db2.gz GNTCLKBBOBNTRQ-CYBMUJFWSA-N -1 0 399.472 3.009 20 30 GGEDRM C=C(C)[C@H](NS(=O)(=O)c1ccc(C#N)cc1C(=O)[O-])c1ccc(F)c(F)c1 ZINC001588535413 983588954 /nfs/dbraw/zinc/58/89/54/983588954.db2.gz OAWQJXAHPLTDLW-KRWDZBQOSA-N -1 0 392.383 3.130 20 30 GGEDRM C=C(C)C[C@H](NC(=O)[C@]1(c2ccc(OCC)cc2)CC1(Cl)Cl)C(=O)[O-] ZINC001588537180 983597990 /nfs/dbraw/zinc/59/79/90/983597990.db2.gz JTXYHEOEQGTKQA-WMLDXEAASA-N -1 0 386.275 3.436 20 30 GGEDRM C=C(C)C[C@H](CO)NC(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC001588537607 983600773 /nfs/dbraw/zinc/60/07/73/983600773.db2.gz TVZWZTZMAIKKNW-HXUWFJFHSA-N -1 0 378.428 3.233 20 30 GGEDRM C=C(C)C[C@H](NC(=O)C[C@@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C(=O)[O-] ZINC001588541365 983607077 /nfs/dbraw/zinc/60/70/77/983607077.db2.gz XRXUPELNDXBPDP-PMPSAXMXSA-N -1 0 382.501 3.195 20 30 GGEDRM C=C(C)C[C@@H](NC(=O)Cc1csc(Cc2cccc(Cl)c2)n1)C(=O)[O-] ZINC001588542851 983610041 /nfs/dbraw/zinc/61/00/41/983610041.db2.gz AEBIHAODRGTWCQ-OAHLLOKOSA-N -1 0 378.881 3.465 20 30 GGEDRM C=C(C)C[C@H](NC(=O)c1cc(Br)ccc1Br)C(=O)[O-] ZINC001588543989 983613142 /nfs/dbraw/zinc/61/31/42/983613142.db2.gz RKTYALASHSRSEU-NSHDSACASA-N -1 0 391.059 3.361 20 30 GGEDRM C=C(C)C[C@H](NC(=O)c1cc(Br)c(Cl)cc1OC)C(=O)[O-] ZINC001588544156 983613453 /nfs/dbraw/zinc/61/34/53/983613453.db2.gz VHIYRTUCBSKERL-NSHDSACASA-N -1 0 376.634 3.260 20 30 GGEDRM C=C(C)C[C@@H](NC(=O)c1cc(C)n(-c2ccc(Br)cc2)n1)C(=O)[O-] ZINC001588544276 983613845 /nfs/dbraw/zinc/61/38/45/983613845.db2.gz ZXWILVBYFYFSAS-OAHLLOKOSA-N -1 0 392.253 3.092 20 30 GGEDRM C=C(C)C[C@H](NC(=O)c1ccc(Br)cc1Br)C(=O)[O-] ZINC001588546440 983615423 /nfs/dbraw/zinc/61/54/23/983615423.db2.gz LCODFZSGDUTODO-NSHDSACASA-N -1 0 391.059 3.361 20 30 GGEDRM C=C(C)C[C@@H](NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC001588546782 983617062 /nfs/dbraw/zinc/61/70/62/983617062.db2.gz PPSWLXOWEXSIBH-QGZVFWFLSA-N -1 0 383.404 3.356 20 30 GGEDRM C=C(C)C[C@H](NC(=O)c1cccc2c1CCN(C(=O)OC(C)(C)C)C2)C(=O)[O-] ZINC001588549232 983626521 /nfs/dbraw/zinc/62/65/21/983626521.db2.gz XYHLMPQRHAQZKI-KRWDZBQOSA-N -1 0 388.464 3.129 20 30 GGEDRM C=C(C)C[C@@H](NS(=O)(=O)c1ccc(C(F)(F)C(F)(F)F)cc1)C(=O)[O-] ZINC001588555270 983633753 /nfs/dbraw/zinc/63/37/53/983633753.db2.gz CTYSVXSBYIGJTI-LLVKDONJSA-N -1 0 387.326 3.038 20 30 GGEDRM C=C(C)CCNC(=O)N1C[C@@H](c2ccc(Br)cc2)[C@H](C(=O)[O-])C1 ZINC001588558684 983638606 /nfs/dbraw/zinc/63/86/06/983638606.db2.gz ADMCTPWMDINWJJ-LSDHHAIUSA-N -1 0 381.270 3.225 20 30 GGEDRM C=C(C)CN(CC(=O)N(C)c1ccccc1C(=O)[O-])Cc1cnn(C(C)C)c1 ZINC001588561556 983641983 /nfs/dbraw/zinc/64/19/83/983641983.db2.gz LYVAPLDBLNUGCI-UHFFFAOYSA-N -1 0 384.480 3.203 20 30 GGEDRM C=C(C)CN(Cc1ccccc1)C(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC001588567037 983645961 /nfs/dbraw/zinc/64/59/61/983645961.db2.gz ABIQJGUMGNADCS-UHFFFAOYSA-N -1 0 381.432 3.111 20 30 GGEDRM C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1cc(COC)cc(C(=O)[O-])c1 ZINC001588567368 983647011 /nfs/dbraw/zinc/64/70/11/983647011.db2.gz KPBDCUWDKMPFBZ-UHFFFAOYSA-N -1 0 388.420 3.227 20 30 GGEDRM C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1nc(C(C)(C)C(=O)[O-])cs1 ZINC001588567603 983647308 /nfs/dbraw/zinc/64/73/08/983647308.db2.gz OIVPCXUOPWVGIA-UHFFFAOYSA-N -1 0 393.465 3.201 20 30 GGEDRM C=C(C)CN(Cc1cnn(C(C)C)c1)Cc1nc2cc(C(=O)[O-])ccc2c(=O)[nH]1 ZINC001588567686 983647494 /nfs/dbraw/zinc/64/74/94/983647494.db2.gz QGUYUKJSDCSNBB-UHFFFAOYSA-N -1 0 395.463 3.389 20 30 GGEDRM C=C(C)CN(Cc1ccccc1)C(=O)[C@@H](CCC(=O)[O-])NC(=O)OC(C)(C)C ZINC001588567864 983647996 /nfs/dbraw/zinc/64/79/96/983647996.db2.gz URTKSXARXFOOTH-QGZVFWFLSA-N -1 0 390.480 3.349 20 30 GGEDRM C=C(C)COCCn1c(-c2ccccc2C)nnc1N1CCC[C@H](C(=O)[O-])C1 ZINC001588573462 983652576 /nfs/dbraw/zinc/65/25/76/983652576.db2.gz 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C=C(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@@H](C(=O)[O-])C1 ZINC001588579332 983661429 /nfs/dbraw/zinc/66/14/29/983661429.db2.gz ZBVIGHHXOYSBQW-CYBMUJFWSA-N -1 0 390.871 3.484 20 30 GGEDRM C=C(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC[C@H](C(=O)[O-])C1 ZINC001588579334 983661523 /nfs/dbraw/zinc/66/15/23/983661523.db2.gz ZBVIGHHXOYSBQW-ZDUSSCGKSA-N -1 0 390.871 3.484 20 30 GGEDRM C=C(C)Cn1c(-c2cccnc2)nnc1N1CCc2cc(C(=O)[O-])ccc2C1 ZINC001588579369 983661656 /nfs/dbraw/zinc/66/16/56/983661656.db2.gz ZRWORTAIJKLDKA-UHFFFAOYSA-N -1 0 375.432 3.177 20 30 GGEDRM C=C(C)Cn1c([C@@H](CO)CC(C)(C)C)nnc1N1CCC[C@](C)(C(=O)[O-])C1 ZINC001588588915 983665203 /nfs/dbraw/zinc/66/52/03/983665203.db2.gz CLEQEDYLMVIMQN-QRWLVFNGSA-N -1 0 378.517 3.057 20 30 GGEDRM C=C(C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[C@@H](C(=O)[O-])C1 ZINC001588589754 983667923 /nfs/dbraw/zinc/66/79/23/983667923.db2.gz STYLYHGLUYXNQD-HUUCEWRRSA-N -1 0 388.443 3.434 20 30 GGEDRM C=C(C)Cn1c(-c2csc(C)n2)nnc1N1CCC[C@H](CCC(=O)[O-])C1 ZINC001588589762 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C=CC(C)(C)CCNS(=O)(=O)c1cccc(C(=O)[O-])c1Br ZINC001588677148 983833573 /nfs/dbraw/zinc/83/35/73/983833573.db2.gz UGEPMLMEMYUGEJ-UHFFFAOYSA-N -1 0 376.272 3.028 20 30 GGEDRM C=C[C@H](CC(=O)N[C@@](C)(Cn1cnc2ccccc21)C(=O)[O-])c1ccccc1 ZINC001588690879 983877672 /nfs/dbraw/zinc/87/76/72/983877672.db2.gz NIRKPJUWRIFIGH-ZHRRBRCNSA-N -1 0 377.444 3.356 20 30 GGEDRM C=C[C@H](Nc1ccc(CNC(=O)c2ccc(Br)cc2)cc1)C(=O)[O-] ZINC001588701920 983917329 /nfs/dbraw/zinc/91/73/29/983917329.db2.gz CUXBCRPQYIITSZ-INIZCTEOSA-N -1 0 389.249 3.430 20 30 GGEDRM C=CC1(CC(=O)N2CCc3cc(C(=O)[O-])ccc32)CN(C(=O)OC(C)(C)C)C1 ZINC001588714837 983953603 /nfs/dbraw/zinc/95/36/03/983953603.db2.gz OYMHCVFULZRDQE-UHFFFAOYSA-N -1 0 386.448 3.087 20 30 GGEDRM C=C[C@H](Sc1nc2ccccc2c(=O)n1-c1ccc(OC)c(OC)c1)C(=O)[O-] ZINC001588715561 983956519 /nfs/dbraw/zinc/95/65/19/983956519.db2.gz ZDGBVTRRIKBDFK-KRWDZBQOSA-N -1 0 398.440 3.134 20 30 GGEDRM C=CCC(C)(C)CNS(=O)(=O)c1cc(Br)ccc1C(=O)[O-] ZINC001588736550 984025764 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3.298 20 30 GGEDRM C=CC[C@H](NS(=O)(=O)c1sc(C(=O)[O-])c(Cl)c1C)c1ccncc1 ZINC001588749578 984066543 /nfs/dbraw/zinc/06/65/43/984066543.db2.gz MHEXIJUNNHVLCB-NSHDSACASA-N -1 0 386.882 3.399 20 30 GGEDRM C=CC[C@]1(C(=O)NCC2(CC(=O)[O-])CCCC2)CCCN1C(=O)OC(C)(C)C ZINC001588761816 984114321 /nfs/dbraw/zinc/11/43/21/984114321.db2.gz BZDKNOLISFVKRB-OAQYLSRUSA-N -1 0 394.512 3.484 20 30 GGEDRM C=CC[C@H](Sc1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)o1)C(=O)[O-] ZINC001588762476 984116068 /nfs/dbraw/zinc/11/60/68/984116068.db2.gz JRLFUNXFSTUSPX-NEPJUHHUSA-N -1 0 383.470 3.306 20 30 GGEDRM C=CC[C@@]1(C(=O)N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)CCCN1C(=O)OC(C)(C)C ZINC001588762702 984116737 /nfs/dbraw/zinc/11/67/37/984116737.db2.gz LODVZWRYFQVWJK-NQERJWCQSA-N -1 0 392.496 3.188 20 30 GGEDRM C=CC[C@]1(C(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)CCCN1C(=O)OC(C)(C)C ZINC001588762922 984117549 /nfs/dbraw/zinc/11/75/49/984117549.db2.gz NGNFAUHDYOQLBQ-ONGXBYRLSA-N -1 0 392.496 3.046 20 30 GGEDRM C=CC[C@@H](Sc1nnc(-c2ccccn2)n1-c1ccc(OC)cc1)C(=O)[O-] ZINC001588763759 984120674 /nfs/dbraw/zinc/12/06/74/984120674.db2.gz YOEYHMDSPWPNMG-MRXNPFEDSA-N -1 0 382.445 3.459 20 30 GGEDRM C=CC[C@]1(C(=O)OCc2ccc(C(=O)[O-])cn2)CCCN1C(=O)OC(C)(C)C ZINC001588767363 984130010 /nfs/dbraw/zinc/13/00/10/984130010.db2.gz XKXYAAJRDAIQNR-HXUWFJFHSA-N -1 0 390.436 3.169 20 30 GGEDRM C=CCC[C@H](C(=O)Nc1ccc(C(=O)[O-])cc1S(C)(=O)=O)c1ccccc1 ZINC001588776810 984153585 /nfs/dbraw/zinc/15/35/85/984153585.db2.gz HOEBJVAQPDSEMM-INIZCTEOSA-N -1 0 387.457 3.477 20 30 GGEDRM C=CCC[C@@H](c1ccc(C(F)(F)F)cc1)N1C(=O)N[C@H](CCC(=O)[O-])C1=O ZINC001588778586 984161422 /nfs/dbraw/zinc/16/14/22/984161422.db2.gz FYBZOCGUWNHIBW-KGLIPLIRSA-N -1 0 384.354 3.498 20 30 GGEDRM C=CCC[C@H](NS(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1)c1ccc(C(F)(F)F)cc1 ZINC001588779145 984164543 /nfs/dbraw/zinc/16/45/43/984164543.db2.gz UEICPCHMBIPBGZ-CFVMTHIKSA-N -1 0 391.411 3.495 20 30 GGEDRM C=CCC[C@H](NS(=O)(=O)c1cc(OC)ccc1C(=O)[O-])c1ccccc1 ZINC001588779420 984165819 /nfs/dbraw/zinc/16/58/19/984165819.db2.gz XPLQYXJSVQWHBT-KRWDZBQOSA-N -1 0 375.446 3.379 20 30 GGEDRM C=CCC[C@H]1CCCN1S(=O)(=O)c1cccc(C(=O)[O-])c1Br ZINC001588781564 984167219 /nfs/dbraw/zinc/16/72/19/984167219.db2.gz BWHPXLONCRNKAZ-NSHDSACASA-N -1 0 388.283 3.267 20 30 GGEDRM C=CCCC1(CNC(=O)c2ccc(-n3[nH]c(CC(=O)[O-])cc3=O)cc2)CCCC1 ZINC001588781762 984167917 /nfs/dbraw/zinc/16/79/17/984167917.db2.gz GKZXOTRAPZBJAM-UHFFFAOYSA-N -1 0 397.475 3.049 20 30 GGEDRM C=CCCC[C@H](C)NC(=O)N1C[C@@H](C(=O)OC(C)(C)C)C2(CC(C(=O)[O-])C2)C1 ZINC001588782272 984171092 /nfs/dbraw/zinc/17/10/92/984171092.db2.gz BITRVSRFZFOGCP-ANZKDXPISA-N -1 0 394.512 3.195 20 30 GGEDRM C=CCCC[C@@H](NC(=O)[C@@H](C)Oc1ccc(F)cc1Br)C(=O)[O-] ZINC001588785036 984178853 /nfs/dbraw/zinc/17/88/53/984178853.db2.gz FFHWZGVKFUUHBB-ZWNOBZJWSA-N -1 0 388.233 3.281 20 30 GGEDRM C=CCCC[C@H](NC(=O)[C@@H](C)NC(=O)c1cccc(Cl)c1Cl)C(=O)[O-] ZINC001588785415 984179871 /nfs/dbraw/zinc/17/98/71/984179871.db2.gz GLAQDUABRJCFKN-MFKMUULPSA-N -1 0 387.263 3.037 20 30 GGEDRM C=CCCC[C@H](NC(=O)[C@H](NC(=O)OCc1ccccc1)C(C)(C)C)C(=O)[O-] ZINC001588787331 984186084 /nfs/dbraw/zinc/18/60/84/984186084.db2.gz VMWFQFHWJIKNTQ-IRXDYDNUSA-N -1 0 390.480 3.253 20 30 GGEDRM C=CCCC[C@@H](NC(=O)CCc1nc(-c2ccc(C)c(F)c2)no1)C(=O)[O-] ZINC001588788468 984190259 /nfs/dbraw/zinc/19/02/59/984190259.db2.gz CYAFKFJSHDTAHN-OAHLLOKOSA-N -1 0 375.400 3.042 20 30 GGEDRM C=CCCC[C@H](NC(=O)CCc1ccc(OC)cc1Br)C(=O)[O-] ZINC001588788567 984191058 /nfs/dbraw/zinc/19/10/58/984191058.db2.gz HFDSEDQJLRPDSR-HNNXBMFYSA-N -1 0 384.270 3.316 20 30 GGEDRM C=CCCC[C@@H](NC(=O)Cc1c[nH]c2ccc(Br)cc12)C(=O)[O-] ZINC001588788870 984193899 /nfs/dbraw/zinc/19/38/99/984193899.db2.gz QELWZOPLOBGUAC-OAHLLOKOSA-N -1 0 379.254 3.399 20 30 GGEDRM C=CCCC[C@@H](NC(=O)CCC12CC(C1)CN2C(=O)OC(C)(C)C)C(=O)[O-] ZINC001588789128 984197040 /nfs/dbraw/zinc/19/70/40/984197040.db2.gz YYIDBYZZSYQPQI-RDYUPDBUSA-N -1 0 380.485 3.092 20 30 GGEDRM C=CCCC[C@H](NC(=O)[C@H]1CCCN(C(=O)Nc2cccc(C)c2)C1)C(=O)[O-] ZINC001588789855 984201647 /nfs/dbraw/zinc/20/16/47/984201647.db2.gz LJADVWBHIDDVIP-WMZOPIPTSA-N -1 0 387.480 3.165 20 30 GGEDRM C=CCCC[C@H](NC(=O)[C@H]1CCCN(C(=O)c2cc(C)cc(C)c2)C1)C(=O)[O-] ZINC001588789946 984202381 /nfs/dbraw/zinc/20/23/81/984202381.db2.gz NRJXAPOOPAOKEU-HKUYNNGSSA-N -1 0 386.492 3.081 20 30 GGEDRM C=CCCC[C@H](NC(=O)C1CCN(c2ccc3cccc(O)c3n2)CC1)C(=O)[O-] ZINC001588790180 984204689 /nfs/dbraw/zinc/20/46/89/984204689.db2.gz RXANMUFINKZTSQ-KRWDZBQOSA-N -1 0 397.475 3.083 20 30 GGEDRM C=CCCC[C@@H](NC(=O)c1cc(NC(=O)OC)cc(C(F)(F)F)c1)C(=O)[O-] ZINC001588792279 984207788 /nfs/dbraw/zinc/20/77/88/984207788.db2.gz BSOMCSPIMCBWSV-CYBMUJFWSA-N -1 0 388.342 3.423 20 30 GGEDRM C=CCCC[C@@H](NC(=O)c1cc(C)nc2c1cnn2Cc1cccs1)C(=O)[O-] ZINC001588792390 984208600 /nfs/dbraw/zinc/20/86/00/984208600.db2.gz FVOMOGRVZLOABP-QGZVFWFLSA-N -1 0 398.488 3.389 20 30 GGEDRM C=CCCC[C@H](NC(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1)C(=O)[O-] ZINC001588792887 984213572 /nfs/dbraw/zinc/21/35/72/984213572.db2.gz PCLCYYXTBOKIJJ-KRWDZBQOSA-N -1 0 388.851 3.089 20 30 GGEDRM C=CCCC[C@@H](NC(=O)c1ccc(Cn2ccc(C(F)(F)F)n2)cc1)C(=O)[O-] ZINC001588792985 984214829 /nfs/dbraw/zinc/21/48/29/984214829.db2.gz QOYKBTKXGPLTBJ-OAHLLOKOSA-N -1 0 395.381 3.490 20 30 GGEDRM C=CCCC[C@H](NC(=O)c1ccc2c(C)nn(-c3ccccc3)c2n1)C(=O)[O-] ZINC001588793009 984215163 /nfs/dbraw/zinc/21/51/63/984215163.db2.gz JWQLFYBKAJXMMV-SFHVURJKSA-N -1 0 378.432 3.268 20 30 GGEDRM C=CCCC[C@@H](NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1O)C(=O)[O-] ZINC001588792972 984215210 /nfs/dbraw/zinc/21/52/10/984215210.db2.gz IXLXRJHGOUNEKV-CQSZACIVSA-N -1 0 378.425 3.279 20 30 GGEDRM C=CCCC[C@H](NC(=O)c1ccc(CCNC(=O)OC(C)(C)C)cc1)C(=O)[O-] ZINC001588793273 984217827 /nfs/dbraw/zinc/21/78/27/984217827.db2.gz VJDXFFXBSRSZKR-KRWDZBQOSA-N -1 0 390.480 3.293 20 30 GGEDRM C=CCCC[C@@H](NC(=O)Cc1csc(Cc2ccc(F)cc2)n1)C(=O)[O-] ZINC001588793901 984223067 /nfs/dbraw/zinc/22/30/67/984223067.db2.gz FLQICNIPGOKDII-MRXNPFEDSA-N -1 0 376.453 3.341 20 30 GGEDRM C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CC(=O)[O-])C1CCCC1 ZINC001588794044 984224092 /nfs/dbraw/zinc/22/40/92/984224092.db2.gz JVLFICGTXQQBAY-HZPDHXFCSA-N -1 0 382.501 3.386 20 30 GGEDRM C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](C(=O)[O-])c1ccccc1 ZINC001588794253 984225897 /nfs/dbraw/zinc/22/58/97/984225897.db2.gz PJINADZFQQYRRW-SJORKVTESA-N -1 0 390.480 3.221 20 30 GGEDRM C=CCCC[C@@H](NC(=O)c1sc(NC(=O)c2ccco2)cc1C)C(=O)[O-] ZINC001588797494 984230059 /nfs/dbraw/zinc/23/00/59/984230059.db2.gz GHFHGVCPCPFVTR-GFCCVEGCSA-N -1 0 376.434 3.441 20 30 GGEDRM C=CCCC[C@@H](NC(=O)c1nn(-c2ccccc2F)c2c1CCCC2)C(=O)[O-] ZINC001588797642 984230419 /nfs/dbraw/zinc/23/04/19/984230419.db2.gz IEVSKXKZEXVXDY-MRXNPFEDSA-N -1 0 385.439 3.430 20 30 GGEDRM C=CCCC[C@H](NC(=O)c1nn(-c2c(C)cccc2F)c2c1CCC2)C(=O)[O-] ZINC001588797800 984231740 /nfs/dbraw/zinc/23/17/40/984231740.db2.gz MBJXWHFHKARDFT-INIZCTEOSA-N -1 0 385.439 3.348 20 30 GGEDRM C=CCCC[C@H](NC(=O)c1csc([C@@H](C)NC(=O)OC(C)(C)C)n1)C(=O)[O-] ZINC001588798232 984234185 /nfs/dbraw/zinc/23/41/85/984234185.db2.gz YLSMWIBWNIQMRD-NEPJUHHUSA-N -1 0 397.497 3.268 20 30 GGEDRM C=CCCC[C@H](NC(=O)c1nc(CCC)n(-c2ccccc2Cl)n1)C(=O)[O-] ZINC001588798242 984234426 /nfs/dbraw/zinc/23/44/26/984234426.db2.gz YNJCMGVWTQOYIH-AWEZNQCLSA-N -1 0 390.871 3.413 20 30 GGEDRM C=CCCC[C@@H](NC(=O)c1nnn(-c2cccc(Cl)c2)c1CCC)C(=O)[O-] ZINC001588798249 984234565 /nfs/dbraw/zinc/23/45/65/984234565.db2.gz YOSBKWZHXHMJSF-OAHLLOKOSA-N -1 0 390.871 3.413 20 30 GGEDRM C=CCCC[C@@H](NS(=O)(=O)c1nc(C)sc1-c1ccccc1)C(=O)[O-] ZINC001588798634 984237770 /nfs/dbraw/zinc/23/77/70/984237770.db2.gz MFPZJTAQQNATJB-CQSZACIVSA-N -1 0 380.491 3.206 20 30 GGEDRM C=CCCCCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001588802645 984249941 /nfs/dbraw/zinc/24/99/41/984249941.db2.gz RRBFSDIXOGZORB-CQSZACIVSA-N -1 0 390.434 3.414 20 30 GGEDRM C=CCCCn1c(-c2ccc3ccccc3n2)nnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001588805781 984256149 /nfs/dbraw/zinc/25/61/49/984256149.db2.gz NWIDIXCNZOOAEX-MRXNPFEDSA-N -1 0 377.448 3.370 20 30 GGEDRM C=CCCN(OCc1ccccc1)S(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1 ZINC001588807234 984258803 /nfs/dbraw/zinc/25/88/03/984258803.db2.gz CWNYEMCAGFKBFJ-UHFFFAOYSA-N -1 0 397.399 3.362 20 30 GGEDRM C=CCCN(OCc1ccccc1)S(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC001588807305 984259270 /nfs/dbraw/zinc/25/92/70/984259270.db2.gz IDTNGRAOGMBBJK-KAMYIIQDSA-N -1 0 387.457 3.483 20 30 GGEDRM C=CCCN(OCc1ccccc1)C(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC001588807494 984260072 /nfs/dbraw/zinc/26/00/72/984260072.db2.gz MEUZHYWEACVQOD-UHFFFAOYSA-N -1 0 397.431 3.043 20 30 GGEDRM C=CCCN(OCc1ccccc1)S(=O)(=O)c1c(C)oc(C)c1C(=O)[O-] ZINC001588807566 984260638 /nfs/dbraw/zinc/26/06/38/984260638.db2.gz PFKYLCGVVMIHNS-UHFFFAOYSA-N -1 0 379.434 3.293 20 30 GGEDRM C=CCCOCCn1c(Cc2ccccc2C)nnc1N1CCC[C@@H](C(=O)[O-])C1 ZINC001588812890 984268701 /nfs/dbraw/zinc/26/87/01/984268701.db2.gz DZKOTJJPQWFLCH-LJQANCHMSA-N -1 0 398.507 3.071 20 30 GGEDRM C=CCCSCCNc1cnn(-c2ccccc2C(=O)[O-])c(=O)c1Cl ZINC001588814601 984271249 /nfs/dbraw/zinc/27/12/49/984271249.db2.gz HGBRHPCKRDTNCA-UHFFFAOYSA-N -1 0 379.869 3.305 20 30 GGEDRM C=CCCc1ccc(S(=O)(=O)N[C@H](C(=O)[O-])c2ccc(F)c(C)c2)cc1 ZINC001588814755 984272785 /nfs/dbraw/zinc/27/27/85/984272785.db2.gz PLVAIRPSPOPPDF-SFHVURJKSA-N -1 0 377.437 3.357 20 30 GGEDRM C=CCCc1ccc(S(=O)(=O)NCCc2ccc(C(=O)[O-])cc2OC)cc1 ZINC001588814941 984274751 /nfs/dbraw/zinc/27/47/51/984274751.db2.gz ZMKQBXWLAIUHQW-UHFFFAOYSA-N -1 0 389.473 3.033 20 30 GGEDRM C=CCN(C(=O)C(=O)Nc1ccc(Cl)cc1SCCC(=O)[O-])C1CC1 ZINC001588819934 984280212 /nfs/dbraw/zinc/28/02/12/984280212.db2.gz JEYHWZXTEZYRPQ-UHFFFAOYSA-N -1 0 382.869 3.022 20 30 GGEDRM C=CCN(C(=O)/C=C/c1cc(C(=O)[O-])co1)[C@@H](Cc1ccccc1)C(=O)OCC ZINC001588820189 984282985 /nfs/dbraw/zinc/28/29/85/984282985.db2.gz VKNNLLCWXXUCTL-VYENPZKTSA-N -1 0 397.427 3.180 20 30 GGEDRM C=CCN(C(=O)Cc1ccccc1C(=O)[O-])[C@@H](Cc1ccccc1)C(=O)OCC ZINC001588820447 984284253 /nfs/dbraw/zinc/28/42/53/984284253.db2.gz CRFJBLPNBPFOTB-FQEVSTJZSA-N -1 0 395.455 3.116 20 30 GGEDRM C=CCN(C(=O)c1[nH]c(C)c(C(=O)[O-])c1C)[C@H](Cc1ccccc1)C(=O)OCC ZINC001588820777 984286002 /nfs/dbraw/zinc/28/60/02/984286002.db2.gz RERGGRIXWOVZFR-QGZVFWFLSA-N -1 0 398.459 3.132 20 30 GGEDRM C=CCN(CC1CCCCC1)S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1OC ZINC001588825379 984299847 /nfs/dbraw/zinc/29/98/47/984299847.db2.gz NEUCABGQPSSZSJ-UHFFFAOYSA-N -1 0 385.457 3.290 20 30 GGEDRM C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2C[C@H](C)[C@@](C)(C(=O)[O-])C2)cc1 ZINC001588825770 984302096 /nfs/dbraw/zinc/30/20/96/984302096.db2.gz XCWAXSAXXQAIBY-BTYIYWSLSA-N -1 0 385.464 3.075 20 30 GGEDRM C=CCN(CCc1ccccc1)S(=O)(=O)c1ccc(C(C)(C)C(=O)[O-])cc1 ZINC001588828676 984308399 /nfs/dbraw/zinc/30/83/99/984308399.db2.gz IIZXBHMMZJITBK-UHFFFAOYSA-N -1 0 387.501 3.468 20 30 GGEDRM C=CCN(CCc1ccccc1)Cn1nc(C(=O)[O-])c(Br)c1C ZINC001588828754 984309133 /nfs/dbraw/zinc/30/91/33/984309133.db2.gz MTQMXVQGPZCPJO-UHFFFAOYSA-N -1 0 378.270 3.340 20 30 GGEDRM C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)Nc1sccc1C(=O)[O-] ZINC001588829171 984312524 /nfs/dbraw/zinc/31/25/24/984312524.db2.gz GTBZIUSZZVNSCB-UHFFFAOYSA-N -1 0 384.866 3.315 20 30 GGEDRM C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H]1CC=C(C(=O)[O-])C1 ZINC001588829390 984314134 /nfs/dbraw/zinc/31/41/34/984314134.db2.gz XSEMIXLGSABHGK-AWEZNQCLSA-N -1 0 397.244 3.459 20 30 GGEDRM C=CCN(Cc1cccs1)S(=O)(=O)c1cc(C(=O)[O-])ccc1OCC ZINC001588831679 984315289 /nfs/dbraw/zinc/31/52/89/984315289.db2.gz IQYXSURPGWCHNG-UHFFFAOYSA-N -1 0 381.475 3.222 20 30 GGEDRM C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCc2cc(C(=O)[O-])ccc2C1 ZINC001588831954 984318575 /nfs/dbraw/zinc/31/85/75/984318575.db2.gz ZWCMORXFMJVVFL-HNNXBMFYSA-N -1 0 384.501 3.408 20 30 GGEDRM C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCc2cc(C(=O)[O-])ccc2C1 ZINC001588831955 984318647 /nfs/dbraw/zinc/31/86/47/984318647.db2.gz ZWCMORXFMJVVFL-OAHLLOKOSA-N -1 0 384.501 3.408 20 30 GGEDRM C=CCN1C(=O)N(c2ccc(F)c(C(=O)[O-])c2C)C(=O)[C@@H]1Cc1ccccc1 ZINC001588832098 984319180 /nfs/dbraw/zinc/31/91/80/984319180.db2.gz AMRYOLMPLXBJCL-KRWDZBQOSA-N -1 0 382.391 3.398 20 30 GGEDRM C=CCN(c1ncc(C(=O)[O-])s1)S(=O)(=O)c1cc(C)c(F)cc1Cl ZINC001588832660 984325105 /nfs/dbraw/zinc/32/51/05/984325105.db2.gz VDNAQRCRQYYKJX-UHFFFAOYSA-N -1 0 390.845 3.324 20 30 GGEDRM C=CCN(Cc1cccc(C#N)c1)[C@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC001588832882 984327582 /nfs/dbraw/zinc/32/75/82/984327582.db2.gz VBDIYIPFLBNNEQ-KRWDZBQOSA-N -1 0 381.457 3.111 20 30 GGEDRM C=CCNC(=O)c1ccc(NC(=O)N[C@@H](CC(=O)[O-])c2ccc(C)cc2)cc1 ZINC001588844038 984355118 /nfs/dbraw/zinc/35/51/18/984355118.db2.gz NSMVMXLHQVJILL-SFHVURJKSA-N -1 0 381.432 3.248 20 30 GGEDRM C=CCNC(=O)c1ccc(NC(=O)N[C@@H](C)[C@H](Cc2ccccc2)C(=O)[O-])cc1 ZINC001588844387 984357231 /nfs/dbraw/zinc/35/72/31/984357231.db2.gz WMGZDDQMVSKAGA-KXBFYZLASA-N -1 0 395.459 3.056 20 30 GGEDRM C=CCNc1ncc(C(=O)N2CCC[C@@H]2c2nc(C(=O)[O-])c(C)s2)s1 ZINC001588849460 984371527 /nfs/dbraw/zinc/37/15/27/984371527.db2.gz 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CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1sc(C)c(C)c1C(=O)[O-] ZINC001588924895 984584346 /nfs/dbraw/zinc/58/43/46/984584346.db2.gz HIOPJWIGTIZARQ-GFCCVEGCSA-N -1 0 380.466 3.308 20 30 GGEDRM CC#CCS(=O)(=O)c1cccc(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)c1 ZINC001588932137 984605810 /nfs/dbraw/zinc/60/58/10/984605810.db2.gz KJNRKWSJRBSTJP-UHFFFAOYSA-N -1 0 391.832 3.088 20 30 GGEDRM C/C(=C\C(=O)[O-])CSc1nc2ccccc2c(=O)n1-c1ccc(C#N)cc1 ZINC001588952323 984684876 /nfs/dbraw/zinc/68/48/76/984684876.db2.gz NNCVHXIHKLPXMU-JLHYYAGUSA-N -1 0 377.425 3.380 20 30 GGEDRM CCOC(=O)Nc1ccc(NC(=O)Nc2ccc(C(=O)[O-])cc2OC)cc1C#N ZINC001596666128 984729785 /nfs/dbraw/zinc/72/97/85/984729785.db2.gz AZBIDDOJFFKKSY-UHFFFAOYSA-N -1 0 398.375 3.477 20 30 GGEDRM C[C@H](NC(=O)N1CCC(C#N)(C(=O)[O-])CC1)c1ccc(OC(F)(F)F)cc1 ZINC001599894771 984738854 /nfs/dbraw/zinc/73/88/54/984738854.db2.gz ZQPZTQSYCFRONJ-NSHDSACASA-N -1 0 385.342 3.046 20 30 GGEDRM CC(=NOCC(=O)Nc1ccccc1C(=O)[O-])c1ccc(NC(=O)C2CC2)cc1 ZINC001589020376 985006179 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392.383 3.221 20 30 GGEDRM CC(=O)C1=C(C(=O)[O-])NC(=S)N[C@H]1c1ccc(-c2cccs2)cc1F ZINC001589025880 985041678 /nfs/dbraw/zinc/04/16/78/985041678.db2.gz APLBIVZADUAVJY-AWEZNQCLSA-N -1 0 376.434 3.001 20 30 GGEDRM CCOC(=O)c1cnc2c(C)cc(C)cc2c1N1CCC(C#N)(C(=O)[O-])CC1 ZINC001596740592 985050465 /nfs/dbraw/zinc/05/04/65/985050465.db2.gz QXWSDTLKYLVHHW-UHFFFAOYSA-N -1 0 381.432 3.223 20 30 GGEDRM CCOC(=O)c1csc([C@@H]2CCCN2[C@H](C(=O)[O-])c2cccc(C#N)c2)n1 ZINC001596746602 985067391 /nfs/dbraw/zinc/06/73/91/985067391.db2.gz HRGYAESJRBHTHP-HOTGVXAUSA-N -1 0 385.445 3.154 20 30 GGEDRM C[C@H]1CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)C[C@]1(C)C(=O)[O-] ZINC001599922551 985156399 /nfs/dbraw/zinc/15/63/99/985156399.db2.gz UYWHBVIRVFAASW-RBZFPXEDSA-N -1 0 380.404 3.320 20 30 GGEDRM C[C@H]1CN(C(=O)c2cccc(COc3cccc(C#N)c3)c2)C[C@]1(C)C(=O)[O-] ZINC001599925316 985191441 /nfs/dbraw/zinc/19/14/41/985191441.db2.gz MRFFHEBMEQYCMW-NYHFZMIOSA-N -1 0 378.428 3.320 20 30 GGEDRM CC(=O)N1CCCC[C@@H]1C(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC001589072605 985221892 /nfs/dbraw/zinc/22/18/92/985221892.db2.gz KKTCVTYXLMSWSD-OAQYLSRUSA-N -1 0 390.439 3.124 20 30 GGEDRM C[C@H]1C[C@@H](O)CN(C(=O)Nc2cccc(C#Cc3cccc(C(=O)[O-])c3)c2)C1 ZINC001599933364 985353309 /nfs/dbraw/zinc/35/33/09/985353309.db2.gz FPFIENHCFLRVGX-MGPUTAFESA-N -1 0 378.428 3.019 20 30 GGEDRM Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C ZINC001599940558 985448864 /nfs/dbraw/zinc/44/88/64/985448864.db2.gz LIFBARNTOGZREY-UHFFFAOYSA-N -1 0 397.431 3.332 20 30 GGEDRM Cc1[nH]c(C(=O)[C@H](C)OC(=O)[C@@H](C)Cc2ccc(C#N)cc2)c(C)c1C(=O)[O-] ZINC001599942721 985475250 /nfs/dbraw/zinc/47/52/50/985475250.db2.gz BQEGLSMFAVTYME-FZMZJTMJSA-N -1 0 382.416 3.195 20 30 GGEDRM Cc1[nH]c(C(=O)CN2CCC(Oc3ccc(C#N)cc3F)CC2)c(C)c1C(=O)[O-] ZINC001599944192 985496069 /nfs/dbraw/zinc/49/60/69/985496069.db2.gz CSSSQVPJPCTQNE-UHFFFAOYSA-N -1 0 399.422 3.067 20 30 GGEDRM C[C@H]1CN(C(=O)Nc2cccc(C#Cc3cccc(C(=O)[O-])c3)c2)C[C@]1(C)CO ZINC001594482844 985543539 /nfs/dbraw/zinc/54/35/39/985543539.db2.gz VVJRPPCLPSNQPV-QMHKHESXSA-N -1 0 392.455 3.267 20 30 GGEDRM Cc1[nH]c(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)c(C)c1C(=O)[O-] ZINC001599954879 985670507 /nfs/dbraw/zinc/67/05/07/985670507.db2.gz PJFOLXSNDMHPIZ-UHFFFAOYSA-N -1 0 383.795 3.293 20 30 GGEDRM Cc1[nH]c(C(=O)OCc2cccc(C(=O)[O-])c2C#N)c(C)c1C(=O)OC(C)C ZINC001599959509 985753765 /nfs/dbraw/zinc/75/37/65/985753765.db2.gz DBLLTVDAWGCAEF-UHFFFAOYSA-N -1 0 384.388 3.124 20 30 GGEDRM CC(=O)c1[nH]c(CC(=O)Nc2cccc(OCCCC#N)c2)c(C(=O)[O-])c1C ZINC001589248177 985851207 /nfs/dbraw/zinc/85/12/07/985851207.db2.gz FMOHCCLPHLBMGE-UHFFFAOYSA-N -1 0 383.404 3.088 20 30 GGEDRM CCOCCCN(C[C@H](C)C(=O)[O-])C(=O)C1(c2ccc(C#N)cc2)CCCC1 ZINC001596908540 985910582 /nfs/dbraw/zinc/91/05/82/985910582.db2.gz ZLGUWLCAHXJQKG-KRWDZBQOSA-N -1 0 386.492 3.346 20 30 GGEDRM Cc1c(C)n(-c2ccccc2)c(NC(=O)CN2CCCCC[C@@H]2C(=O)[O-])c1C#N ZINC001599973110 986042106 /nfs/dbraw/zinc/04/21/06/986042106.db2.gz INMVLRVCXONTPD-LJQANCHMSA-N -1 0 394.475 3.234 20 30 GGEDRM CC(=O)c1cccc(C#N)c1OCC(=O)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC001589305271 986070222 /nfs/dbraw/zinc/07/02/22/986070222.db2.gz KUULKYKHRSFKHR-UHFFFAOYSA-N -1 0 398.440 3.417 20 30 GGEDRM Cc1c(C(=O)N(C)[C@H](C(=O)[O-])c2cccc(Cl)c2Cl)cnn1CCC#N ZINC001599975065 986076432 /nfs/dbraw/zinc/07/64/32/986076432.db2.gz QYBAYLNZXPNEFO-HNNXBMFYSA-N -1 0 395.246 3.310 20 30 GGEDRM C[C@@H](C#N)CN(C(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)(F)F)C1CC1 ZINC001589329150 986162557 /nfs/dbraw/zinc/16/25/57/986162557.db2.gz JYFCXZNAPXPYTI-JTQLQIEISA-N -1 0 385.342 3.482 20 30 GGEDRM C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)c1csc(C(=O)[O-])n1 ZINC001589331398 986185128 /nfs/dbraw/zinc/18/51/28/986185128.db2.gz DCOICBVGBXNLJQ-SECBINFHSA-N -1 0 383.351 3.415 20 30 GGEDRM C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1ccc(C(=O)[O-])o1 ZINC001589331960 986194874 /nfs/dbraw/zinc/19/48/74/986194874.db2.gz UTEVBQWCXLPUGV-LLVKDONJSA-N -1 0 388.401 3.025 20 30 GGEDRM C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@]1(CC(=O)[O-])CCCOC1 ZINC001589332102 986196800 /nfs/dbraw/zinc/19/68/00/986196800.db2.gz XTXDYNWGIIBTFS-FZKQIMNGSA-N -1 0 377.466 3.084 20 30 GGEDRM C[C@@H](C#N)Oc1ccccc1NC(=O)N[C@H]1CCSC2(CC(C(=O)[O-])C2)C1 ZINC001589335085 986207541 /nfs/dbraw/zinc/20/75/41/986207541.db2.gz NGCRQFLZRYPIRP-PNBPBRNGSA-N -1 0 389.477 3.228 20 30 GGEDRM C[C@H](C#N)Oc1ccccc1NC(=O)N1C[C@H](C(F)(F)F)C[C@H](C(=O)[O-])C1 ZINC001589335927 986215489 /nfs/dbraw/zinc/21/54/89/986215489.db2.gz UXMXIBSCIUQSSD-GRYCIOLGSA-N -1 0 385.342 3.094 20 30 GGEDRM Cc1c(C(=O)Nc2nc(-c3ccc(C(=O)[O-])cc3)cs2)cnn1CCC#N ZINC001599985712 986224338 /nfs/dbraw/zinc/22/43/38/986224338.db2.gz WKHDKXIDUHFKGW-UHFFFAOYSA-N -1 0 381.417 3.179 20 30 GGEDRM C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CCc2cc(C(=O)[O-])ccc2C1 ZINC001589341935 986259383 /nfs/dbraw/zinc/25/93/83/986259383.db2.gz QYGORWXLCAMFRJ-INIZCTEOSA-N -1 0 377.444 3.078 20 30 GGEDRM C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCc2cccc(C(=O)[O-])c2C1 ZINC001589341930 986260229 /nfs/dbraw/zinc/26/02/29/986260229.db2.gz QXEAHBMEOPBMRY-OAHLLOKOSA-N -1 0 395.434 3.217 20 30 GGEDRM CCOc1cc(C(=O)N[C@H](CCC#N)c2ccccc2)ccc1OCC(=O)[O-] ZINC001596999707 986309378 /nfs/dbraw/zinc/30/93/78/986309378.db2.gz DJDJZKUKQHDFCC-QGZVFWFLSA-N -1 0 382.416 3.324 20 30 GGEDRM C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1C(=O)c1cccc(SCC#N)c1 ZINC001594567556 986363619 /nfs/dbraw/zinc/36/36/19/986363619.db2.gz HTZDKCHKVWPBCT-HNNXBMFYSA-N -1 0 395.484 3.351 20 30 GGEDRM CCOc1ccc(C#N)cc1NC(=O)NCCc1ccc(C(=O)[O-])cc1OC ZINC001597056053 986539503 /nfs/dbraw/zinc/53/95/03/986539503.db2.gz PKSKKNHXQBBRON-UHFFFAOYSA-N -1 0 383.404 3.028 20 30 GGEDRM CCOc1ccc(C#N)cc1NC(=O)N1CC[C@@](C(=O)[O-])(c2ccccc2)C1 ZINC001597056145 986540661 /nfs/dbraw/zinc/54/06/61/986540661.db2.gz UKMSAJWAGXERLC-NRFANRHFSA-N -1 0 379.416 3.217 20 30 GGEDRM CCOc1ccc(C[C@H](CNC(=O)C2(c3ccc(C#N)cc3)CC2)C(=O)[O-])cc1 ZINC001597084362 986641911 /nfs/dbraw/zinc/64/19/11/986641911.db2.gz FNPIINGHODZZGK-GOSISDBHSA-N -1 0 392.455 3.048 20 30 GGEDRM CCOc1ccc(C[C@H](CNC(=O)[C@@H](CC#N)c2ccccc2)C(=O)[O-])cc1 ZINC001597084346 986641945 /nfs/dbraw/zinc/64/19/45/986641945.db2.gz DXXUTYLDGYEJNP-QUCCMNQESA-N -1 0 380.444 3.142 20 30 GGEDRM CCOc1ccc(C[C@H](CNC(=O)c2ccc(Cl)c(C#N)c2)C(=O)[O-])cc1 ZINC001597088160 986658959 /nfs/dbraw/zinc/65/89/59/986658959.db2.gz BNQNPHJDUVICQR-MRXNPFEDSA-N -1 0 386.835 3.284 20 30 GGEDRM CCOc1ccc(C[C@@H](CNC(=O)Cc2c(C)cc(C#N)cc2C)C(=O)[O-])cc1 ZINC001597089447 986671228 /nfs/dbraw/zinc/67/12/28/986671228.db2.gz XDDWUFKJDOULCM-IBGZPJMESA-N -1 0 394.471 3.176 20 30 GGEDRM C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC001589431104 986725057 /nfs/dbraw/zinc/72/50/57/986725057.db2.gz DMQZCCYXLHYFOT-YVEFUNNKSA-N -1 0 383.835 3.223 20 30 GGEDRM C[C@H]1OCC[C@]1(C)NC(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC001594641227 986792626 /nfs/dbraw/zinc/79/26/26/986792626.db2.gz VYNZIBWHLAEBEF-QRQCRPRQSA-N -1 0 378.428 3.474 20 30 GGEDRM C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC001589448450 986823442 /nfs/dbraw/zinc/82/34/42/986823442.db2.gz KSIDXRHUHQXABC-PXAZEXFGSA-N -1 0 395.484 3.119 20 30 GGEDRM C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC001589448453 986823694 /nfs/dbraw/zinc/82/36/94/986823694.db2.gz KSIDXRHUHQXABC-YVEFUNNKSA-N -1 0 395.484 3.119 20 30 GGEDRM C[C@@H](C(=O)[O-])[C@H](NC(=O)Nc1ncccc1OCCCC#N)c1ccccc1 ZINC001589461907 986914085 /nfs/dbraw/zinc/91/40/85/986914085.db2.gz INVOHIAFANHUPY-PBHICJAKSA-N -1 0 382.420 3.348 20 30 GGEDRM C[C@H](C(=O)[O-])[C@@H](NC(=O)Nc1ncccc1OCCCC#N)c1ccccc1 ZINC001589461911 986914213 /nfs/dbraw/zinc/91/42/13/986914213.db2.gz INVOHIAFANHUPY-WMLDXEAASA-N -1 0 382.420 3.348 20 30 GGEDRM C[C@H](C(=O)[O-])c1ccc(NC(=O)N2CCN(c3ccccc3C#N)CC2)cc1 ZINC001589508616 987129909 /nfs/dbraw/zinc/12/99/09/987129909.db2.gz KUNHOZLEKSXIQT-HNNXBMFYSA-N -1 0 378.432 3.100 20 30 GGEDRM CCC(=O)c1cccc(C#N)c1OS(=O)(=O)c1cc(C(=O)[O-])cc(F)c1C ZINC001594722269 987210960 /nfs/dbraw/zinc/21/09/60/987210960.db2.gz LMCRFDXPNXJKIT-UHFFFAOYSA-N -1 0 391.376 3.064 20 30 GGEDRM CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(C(=O)[O-])cc2OC)c1 ZINC001594724952 987224595 /nfs/dbraw/zinc/22/45/95/987224595.db2.gz GQHHHQMTVNBUOX-OAHLLOKOSA-N -1 0 383.404 3.396 20 30 GGEDRM CC[C@H](C#N)N(CC)C(=O)c1ccc(-n2nc(C)c(CCC(=O)[O-])c2C)cc1 ZINC001594725036 987225448 /nfs/dbraw/zinc/22/54/48/987225448.db2.gz JGWUKTPYHDRTPG-QGZVFWFLSA-N -1 0 382.464 3.271 20 30 GGEDRM CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(C(=O)[O-])c(OC)c2)c1 ZINC001594725409 987231274 /nfs/dbraw/zinc/23/12/74/987231274.db2.gz VQPYEOOMMWLPIQ-HNNXBMFYSA-N -1 0 383.404 3.396 20 30 GGEDRM CC(C)(C#N)Cc1nnc(N2CCc3cc(C(=O)[O-])ccc3C2)n1CC1CC1 ZINC001589557783 987307595 /nfs/dbraw/zinc/30/75/95/987307595.db2.gz HDUYBXQXMCDTAL-UHFFFAOYSA-N -1 0 379.464 3.041 20 30 GGEDRM CC(C)(C(=O)N1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1)c1cc(F)cc(C#N)c1 ZINC001589564286 987327524 /nfs/dbraw/zinc/32/75/24/987327524.db2.gz RNWLDSBVIBELGD-RTBURBONSA-N -1 0 380.419 3.302 20 30 GGEDRM CC[C@H](C)[C@H](NC(C)=O)C(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC001597321973 987450886 /nfs/dbraw/zinc/45/08/86/987450886.db2.gz QRNTZGZKSNOEEA-BTYIYWSLSA-N -1 0 392.455 3.274 20 30 GGEDRM CC(C)(C(=O)[O-])c1ccc(NC(=O)C(=O)Nc2cc(C#N)ccc2Cl)cc1 ZINC001589632325 987542682 /nfs/dbraw/zinc/54/26/82/987542682.db2.gz FORPSXZSGUUTEY-UHFFFAOYSA-N -1 0 385.807 3.151 20 30 GGEDRM CC(C)(C(=O)[O-])c1csc(NC(=O)CSCc2ccc(C#N)cc2)n1 ZINC001589649291 987587875 /nfs/dbraw/zinc/58/78/75/987587875.db2.gz LQNWVOXBDKIFPU-UHFFFAOYSA-N -1 0 375.475 3.249 20 30 GGEDRM CC(C)(C(=O)[O-])c1csc(NC(=O)c2cnc(C(F)(F)F)c(C#N)c2)n1 ZINC001589657224 987629748 /nfs/dbraw/zinc/62/97/48/987629748.db2.gz UTAOVBCUEVVFTC-UHFFFAOYSA-N -1 0 384.339 3.043 20 30 GGEDRM CCc1[nH]c(CNc2ccc3c(c2)CCC(=O)N3CCCC#N)cc1C(=O)[O-] ZINC001597398347 987650939 /nfs/dbraw/zinc/65/09/39/987650939.db2.gz IGEXPQYPFFKQPP-UHFFFAOYSA-N -1 0 380.448 3.470 20 30 GGEDRM CCc1cc(C(=O)[O-])ccc1NC(=O)N(CCOC)Cc1ccc(C#N)cc1 ZINC001597452717 987851655 /nfs/dbraw/zinc/85/16/55/987851655.db2.gz ILFUOXQHHWVOPA-UHFFFAOYSA-N -1 0 381.432 3.499 20 30 GGEDRM CCc1cc(C(=O)[O-])ccc1NC(=O)N1CCN(c2ccccc2C#N)CC1 ZINC001597456860 987866135 /nfs/dbraw/zinc/86/61/35/987866135.db2.gz NBUMBGZCXYYKAO-UHFFFAOYSA-N -1 0 378.432 3.173 20 30 GGEDRM CCc1ccc(C#CC(=O)N[C@H](C(=O)[O-])c2ccccc2Br)cc1 ZINC001597494511 988035526 /nfs/dbraw/zinc/03/55/26/988035526.db2.gz DBCFRWUDLWOFDB-SFHVURJKSA-N -1 0 386.245 3.305 20 30 GGEDRM CC(C)(C)C[C@@H](OC(=O)C1CCN(c2ccc(C#N)cc2F)CC1)C(=O)[O-] ZINC001589759733 988077482 /nfs/dbraw/zinc/07/74/82/988077482.db2.gz COHOXAZCXJOMTJ-QGZVFWFLSA-N -1 0 376.428 3.346 20 30 GGEDRM CC(C)(C)CN(CCC#N)S(=O)(=O)c1cc(C(=O)[O-])cc(C(F)(F)F)c1 ZINC001589780194 988149614 /nfs/dbraw/zinc/14/96/14/988149614.db2.gz RIEMCAZTFGDEAN-UHFFFAOYSA-N -1 0 392.399 3.354 20 30 GGEDRM CSCCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C(=O)[O-])C1 ZINC001599799740 988156425 /nfs/dbraw/zinc/15/64/25/988156425.db2.gz SNDNWPGJVHLUTJ-KRWDZBQOSA-N -1 0 399.520 3.261 20 30 GGEDRM CSCCN=c1scc(-c2cc(C(=O)[O-])co2)n1N=Cc1ccccn1 ZINC001599799857 988157736 /nfs/dbraw/zinc/15/77/36/988157736.db2.gz LBDWXMAQLKQWKF-UHFFFAOYSA-N -1 0 388.474 3.049 20 30 GGEDRM CC(C)(C)Cc1noc2nc(C3CC3)cc(C(=O)N(CC#N)CCC(=O)[O-])c12 ZINC001589793114 988183948 /nfs/dbraw/zinc/18/39/48/988183948.db2.gz PEBJHQFRHSCRHC-UHFFFAOYSA-N -1 0 384.436 3.129 20 30 GGEDRM CC(C)(C)N(N=Cc1cc(C(=O)[O-])no1)C(=S)NCc1ccc(F)cc1 ZINC001589796879 988198099 /nfs/dbraw/zinc/19/80/99/988198099.db2.gz XSRXEGSYYKYCEH-UHFFFAOYSA-N -1 0 378.429 3.021 20 30 GGEDRM CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001597585798 988398361 /nfs/dbraw/zinc/39/83/61/988398361.db2.gz WREISJSRROQZQC-GOSISDBHSA-N -1 0 394.427 3.236 20 30 GGEDRM CSc1ccccc1[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1C(=O)[O-] ZINC001599825490 988591818 /nfs/dbraw/zinc/59/18/18/988591818.db2.gz BNUONGCEEMBYTM-NSHDSACASA-N -1 0 376.459 3.018 20 30 GGEDRM CSc1nc(C2CC2)cc(C(=O)NCCc2cccc(C(=O)[O-])c2)c1C#N ZINC001599827759 988623433 /nfs/dbraw/zinc/62/34/33/988623433.db2.gz KFZFMRAGPYAITG-UHFFFAOYSA-N -1 0 381.457 3.223 20 30 GGEDRM CSc1nc(C2CC2)cc(C(=O)N2Cc3ccccc3[C@@H](C(=O)[O-])C2)c1C#N ZINC001599828067 988628600 /nfs/dbraw/zinc/62/86/00/988628600.db2.gz NQBCXFQGJMKVHE-KRWDZBQOSA-N -1 0 393.468 3.377 20 30 GGEDRM CCc1nc(NC(=O)c2cc(C)n(-c3cccc(C#N)c3)n2)sc1C(=O)[O-] ZINC001597682033 988818775 /nfs/dbraw/zinc/81/87/75/988818775.db2.gz OEKXMTASPWOKJQ-UHFFFAOYSA-N -1 0 381.417 3.022 20 30 GGEDRM CC(C)(C)OC(=O)N1CC[C@@H]2[C@H]1CCCN2Cc1cccc(C(=O)[O-])c1C#N ZINC001590003292 988929830 /nfs/dbraw/zinc/92/98/30/988929830.db2.gz CFWBALDZRYYYPH-QZTJIDSGSA-N -1 0 385.464 3.230 20 30 GGEDRM CCc1nn(C)c(CC)c1C=NNc1cc(C(=O)[O-])ccc1Br ZINC001597711920 988973409 /nfs/dbraw/zinc/97/34/09/988973409.db2.gz HJVDPUAYFCRHQE-UHFFFAOYSA-N -1 0 379.258 3.452 20 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CC(C)(C)OC(=O)N[C@H](CCC(=O)[O-])C(=O)[C@@H](C#N)c1nccc2ccccc21 ZINC001590120192 989342835 /nfs/dbraw/zinc/34/28/35/989342835.db2.gz ZQXIFNDBVNPRPF-JKSUJKDBSA-N -1 0 397.431 3.169 20 30 GGEDRM CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC001590124387 989351072 /nfs/dbraw/zinc/35/10/72/989351072.db2.gz LZMYJKPXEDJXDA-CQSZACIVSA-N -1 0 379.388 3.050 20 30 GGEDRM CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC001590125339 989360273 /nfs/dbraw/zinc/36/02/73/989360273.db2.gz VZIBZHABFRQACK-CVEARBPZSA-N -1 0 395.500 3.067 20 30 GGEDRM CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)Oc1cccc(C(=O)[O-])c1 ZINC001590125539 989361925 /nfs/dbraw/zinc/36/19/25/989361925.db2.gz XNVMXFINUHQJLL-HNNXBMFYSA-N -1 0 376.409 3.267 20 30 GGEDRM C[C@@H]1C[C@H](C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)O[C@H]1C(=O)[O-] ZINC001599876334 989423949 /nfs/dbraw/zinc/42/39/49/989423949.db2.gz GEXCUGKHNXAQFP-JSNMRZPZSA-N -1 0 394.427 3.148 20 30 GGEDRM CC(C)(C)OC(=O)NCc1ccc(CNc2ccc(C(=O)[O-])nc2C#N)cc1 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COc1ccc(C(=O)C[C@H](C)C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC001599478944 998577740 /nfs/dbraw/zinc/57/77/40/998577740.db2.gz XHOTVMTZYXZDGU-DJJJIMSYSA-N -1 0 381.384 3.145 20 30 GGEDRM COC(=O)c1ccc(N=NC(C)c2cnc3sc(C(=O)[O-])c(C)c3c2)nc1 ZINC001598984029 998684630 /nfs/dbraw/zinc/68/46/30/998684630.db2.gz HBRCSRHHAQCIFE-UHFFFAOYSA-N -1 0 384.417 3.321 20 30 GGEDRM COC(=O)c1cccc(/C=C2/COC/C(=C\c3cccc(C(=O)[O-])c3)C2=O)c1 ZINC001598992874 998753398 /nfs/dbraw/zinc/75/33/98/998753398.db2.gz KYBPEYITCLEYKQ-PAUOAVIZSA-N -1 0 378.380 3.238 20 30 GGEDRM COC(=O)c1cccc(/C=C2/COC/C(=C/c3cccc(C(=O)[O-])c3)C2=O)c1 ZINC001598992872 998753431 /nfs/dbraw/zinc/75/34/31/998753431.db2.gz KYBPEYITCLEYKQ-BJPQZVBLSA-N -1 0 378.380 3.238 20 30 GGEDRM COC(=O)c1cccc(CNc2ccc(Br)c(C(=O)[O-])c2)c1C#N ZINC001598993503 998758258 /nfs/dbraw/zinc/75/82/58/998758258.db2.gz FCXMKOIHUMXGQT-UHFFFAOYSA-N -1 0 389.205 3.418 20 30 GGEDRM COC(=O)c1cccc([C@H](C(=O)[O-])N2CC=C(c3ccc(C#N)cc3)CC2)c1 ZINC001598998129 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C[C@@H]1CCc2c(sc(NC(=O)CN(CCC#N)CC3CC3)c2C(=O)[O-])C1 ZINC000828311454 601010984 /nfs/dbraw/zinc/01/09/84/601010984.db2.gz YBWTZNHHZLQQBH-GFCCVEGCSA-N -1 0 375.494 3.135 20 30 GGEDRM N#Cc1cc(NC(=O)Nc2cccc(NC(=O)[O-])c2)ccc1N1CCC(O)CC1 ZINC000833069807 601023883 /nfs/dbraw/zinc/02/38/83/601023883.db2.gz RRUFPDQYBFAHSX-UHFFFAOYSA-N -1 0 395.419 3.253 20 30 GGEDRM Cc1c(C)n(C2CCCCC2)c(NC(=O)CN2CCC[C@H](C(=O)[O-])C2)c1C#N ZINC000738170866 601029451 /nfs/dbraw/zinc/02/94/51/601029451.db2.gz PWIVJQYJWKKQFF-INIZCTEOSA-N -1 0 386.496 3.217 20 30 GGEDRM C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCC[C@H](C(=O)[O-])C1 ZINC000736218751 601031229 /nfs/dbraw/zinc/03/12/29/601031229.db2.gz BAPROIPFUDJBLT-STQMWFEESA-N -1 0 375.494 3.012 20 30 GGEDRM C=CCc1cc(C(=O)N(c2ncc(C(=O)[O-])s2)C2CC2)cc(OC)c1OC ZINC000736113834 601036983 /nfs/dbraw/zinc/03/69/83/601036983.db2.gz BQEMNIFDCROAAD-UHFFFAOYSA-N -1 0 388.445 3.396 20 30 GGEDRM Cc1nc(SCC(=O)O[C@H](C(=O)[O-])c2ccccc2F)c(C#N)c(C)c1C ZINC000833005025 601074865 /nfs/dbraw/zinc/07/48/65/601074865.db2.gz NSKWBHFHLPIHPM-KRWDZBQOSA-N -1 0 388.420 3.479 20 30 GGEDRM C#CCOc1cc(F)ccc1NC(=O)Nc1cc(C(=O)[O-])cc(OC)c1OC ZINC000825626179 601083167 /nfs/dbraw/zinc/08/31/67/601083167.db2.gz WEYFRJQPMYZCRT-UHFFFAOYSA-N -1 0 388.351 3.197 20 30 GGEDRM C=CCOc1cn(-c2ccccc2)nc1C(=O)NC[C@H](C(=O)[O-])c1ccccc1 ZINC000825702141 601084438 /nfs/dbraw/zinc/08/44/38/601084438.db2.gz FRHQKKGCJFGSLG-SFHVURJKSA-N -1 0 391.427 3.035 20 30 GGEDRM Cc1nnc(-c2cccc(C#N)c2)n1CN(Cc1ccccc1)C[C@@H](C)C(=O)[O-] ZINC000738933198 601090924 /nfs/dbraw/zinc/09/09/24/601090924.db2.gz CVHHTYLLSDDNRC-MRXNPFEDSA-N -1 0 389.459 3.306 20 30 GGEDRM COc1ccc(CNc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)cc1C(=O)[O-] ZINC000738008872 601092546 /nfs/dbraw/zinc/09/25/46/601092546.db2.gz RVLVRBOYOMEKIS-UHFFFAOYSA-N -1 0 378.344 3.334 20 30 GGEDRM Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@H](C2CCCCC2)C[C@H]1C(=O)[O-] ZINC000832843328 601093186 /nfs/dbraw/zinc/09/31/86/601093186.db2.gz UMZKURCRRVUEEK-APWZRJJASA-N -1 0 399.491 3.090 20 30 GGEDRM C#CCOc1ccc(F)cc1NC(=O)NC[C@@H](Cc1cccc(C)c1)C(=O)[O-] ZINC000825631973 601098181 /nfs/dbraw/zinc/09/81/81/601098181.db2.gz OIZPWJHJFJWAGQ-MRXNPFEDSA-N -1 0 384.407 3.211 20 30 GGEDRM CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(C(=O)OC)c(C(=O)[O-])c1 ZINC000829496608 601102583 /nfs/dbraw/zinc/10/25/83/601102583.db2.gz KQNJMPIRTOQAPW-UHFFFAOYSA-N -1 0 395.415 3.487 20 30 GGEDRM C=CCc1ccc(OCC(=O)N(CC)c2ncc(C(=O)[O-])s2)c(OC)c1 ZINC000736113826 601113194 /nfs/dbraw/zinc/11/31/94/601113194.db2.gz BHNQGIJVWQVNQE-UHFFFAOYSA-N -1 0 376.434 3.010 20 30 GGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)[C@@H]1CCC[C@@H](C(=O)OC)C1 ZINC000825702078 601147878 /nfs/dbraw/zinc/14/78/78/601147878.db2.gz CABYHRCGHWWWFH-ZIAGYGMSSA-N -1 0 376.405 3.007 20 30 GGEDRM N#CCCN(C(=O)COC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1)c1cccc(Cl)c1 ZINC000833065732 601178609 /nfs/dbraw/zinc/17/86/09/601178609.db2.gz KOHQXQUMBQANAR-ZIAGYGMSSA-N -1 0 392.839 3.021 20 30 GGEDRM C=CCOc1cn(-c2ccccc2)nc1C(=O)OCc1cc(C)c(C(=O)[O-])o1 ZINC000825702311 601188167 /nfs/dbraw/zinc/18/81/67/601188167.db2.gz JANDPCWVSZPVSX-UHFFFAOYSA-N -1 0 382.372 3.394 20 30 GGEDRM N#Cc1cc(N[C@H]2CCN(c3sccc3C(=O)[O-])C2=O)nc2ccccc12 ZINC000833069527 601201204 /nfs/dbraw/zinc/20/12/04/601201204.db2.gz DBJFDEKIVCGJDL-HNNXBMFYSA-N -1 0 378.413 3.084 20 30 GGEDRM COc1cccc(CN2C(=O)N[C@H](c3ccc(C#N)s3)C(C(=O)[O-])=C2C)c1 ZINC000832553896 601202996 /nfs/dbraw/zinc/20/29/96/601202996.db2.gz GYJWRFPUSKBMKM-QGZVFWFLSA-N -1 0 383.429 3.253 20 30 GGEDRM COc1cccc(CN2C(=O)N[C@@H](c3ccc(C#N)s3)C(C(=O)[O-])=C2C)c1 ZINC000832553895 601203027 /nfs/dbraw/zinc/20/30/27/601203027.db2.gz GYJWRFPUSKBMKM-KRWDZBQOSA-N -1 0 383.429 3.253 20 30 GGEDRM CCN([C@@H](C)c1ccc(C#N)cc1)S(=O)(=O)c1sc(C(=O)[O-])cc1OC ZINC000829602407 601212600 /nfs/dbraw/zinc/21/26/00/601212600.db2.gz LXHJULPMKLIFPX-NSHDSACASA-N -1 0 394.474 3.098 20 30 GGEDRM C=CCN(Cc1ccc(Cl)s1)S(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC000825682359 601215054 /nfs/dbraw/zinc/21/50/54/601215054.db2.gz XZIXFMPVXTXXSO-UHFFFAOYSA-N -1 0 375.855 3.378 20 30 GGEDRM CCN([C@H](C)c1ccc(C#N)cc1)S(=O)(=O)c1cc(C(=O)[O-])ccc1OC ZINC000829601839 601219559 /nfs/dbraw/zinc/21/95/59/601219559.db2.gz ATCNFFNSGFEKAJ-CYBMUJFWSA-N -1 0 388.445 3.037 20 30 GGEDRM C#Cc1cccc(N(Cc2ccco2)S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)c1 ZINC000825636970 601220532 /nfs/dbraw/zinc/22/05/32/601220532.db2.gz YIOKXONPXANWMC-UHFFFAOYSA-N -1 0 385.397 3.256 20 30 GGEDRM C=CCN(Cc1ccc(OC)cc1)S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000825681859 601231536 /nfs/dbraw/zinc/23/15/36/601231536.db2.gz JFMXNQHWQWRASU-UHFFFAOYSA-N -1 0 397.399 3.049 20 30 GGEDRM C=CCN(CCc1ccccc1)S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000825682159 601232757 /nfs/dbraw/zinc/23/27/57/601232757.db2.gz QHBOGOICPRNOGF-UHFFFAOYSA-N -1 0 381.400 3.082 20 30 GGEDRM Cc1oc(S(=O)(=O)N(Cc2ccco2)c2ccccc2C#N)cc1C(=O)[O-] ZINC000833027060 601232968 /nfs/dbraw/zinc/23/29/68/601232968.db2.gz ROTUYKUVKNTBDL-UHFFFAOYSA-N -1 0 386.385 3.146 20 30 GGEDRM N#C[C@H](C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1)c1nc(=O)c2c3c(sc2[nH]1)CCCC3 ZINC000833063933 601235901 /nfs/dbraw/zinc/23/59/01/601235901.db2.gz OBYUGGYEMOPGCT-DMDPSCGWSA-N -1 0 399.472 3.343 20 30 GGEDRM N#Cc1nc(N2CCN([C@@H](C(=O)[O-])c3ccc(Cl)cc3)CC2)ccc1Cl ZINC000833079543 601248985 /nfs/dbraw/zinc/24/89/85/601248985.db2.gz XSYKPKGTHHQNGK-QGZVFWFLSA-N -1 0 391.258 3.208 20 30 GGEDRM N#Cc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(Br)cc2)s1 ZINC000833070411 601277423 /nfs/dbraw/zinc/27/74/23/601277423.db2.gz FAOJGAZPFVXLAW-LBPRGKRZSA-N -1 0 379.235 3.328 20 30 GGEDRM N#Cc1cccc([C@H](Nc2ccc3nc(N4CCOCC4)sc3c2)C(=O)[O-])c1 ZINC000833074834 601298803 /nfs/dbraw/zinc/29/88/03/601298803.db2.gz FESXBSXLUQXLBZ-SFHVURJKSA-N -1 0 394.456 3.242 20 30 GGEDRM COC[C@@](C)(CC(=O)[O-])NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 ZINC000831567629 601301812 /nfs/dbraw/zinc/30/18/12/601301812.db2.gz AOBKARDLOCGCKL-HXUWFJFHSA-N -1 0 386.379 3.099 20 30 GGEDRM COc1ccc(Br)c(CN[C@@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000832143208 601302094 /nfs/dbraw/zinc/30/20/94/601302094.db2.gz XHNASAAYKWSGLN-MRXNPFEDSA-N -1 0 375.222 3.245 20 30 GGEDRM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2cccc(OCCCC#N)c2)c1C ZINC000603982553 601324447 /nfs/dbraw/zinc/32/44/47/601324447.db2.gz GRKYSRZVEDEQCP-UHFFFAOYSA-N -1 0 388.445 3.485 20 30 GGEDRM CCCNc1ccc(C#N)cc1NS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000737829088 601332286 /nfs/dbraw/zinc/33/22/86/601332286.db2.gz KSJKTBGJUJRURK-UHFFFAOYSA-N -1 0 377.397 3.018 20 30 GGEDRM Cc1ccc(OS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)c(C(=O)[O-])c1 ZINC000832951299 601332779 /nfs/dbraw/zinc/33/27/79/601332779.db2.gz INVPVRDFBBSGOG-UHFFFAOYSA-N -1 0 385.319 3.351 20 30 GGEDRM O=C([O-])c1ccc(C=NN2C(=S)N=NC2c2ccc(Cl)cc2Cl)[nH]1 ZINC000749811593 601336173 /nfs/dbraw/zinc/33/61/73/601336173.db2.gz CSVVXFOXJQQKNP-UHFFFAOYSA-N -1 0 382.232 3.449 20 30 GGEDRM O=C([O-])c1ccc(CN=Nc2cc(C(F)(F)F)nc(-c3cccnc3)n2)[nH]1 ZINC000833312880 601337367 /nfs/dbraw/zinc/33/73/67/601337367.db2.gz ZBHVRBKJQJVDQF-UHFFFAOYSA-N -1 0 376.298 3.030 20 30 GGEDRM CCOc1ccc(C[C@H](CNC(=O)Nc2ccc(F)cc2C#N)C(=O)[O-])cc1 ZINC000830071402 601338516 /nfs/dbraw/zinc/33/85/16/601338516.db2.gz VUZDGSNXPXNNJK-OAHLLOKOSA-N -1 0 385.395 3.161 20 30 GGEDRM C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1C(=O)Nc1ccc(F)cc1C#N ZINC000828495077 601338543 /nfs/dbraw/zinc/33/85/43/601338543.db2.gz UZXYQWRRXQLWLW-ZDUSSCGKSA-N -1 0 382.395 3.138 20 30 GGEDRM COc1cc(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)ccc1OC(F)F ZINC000831950960 601343526 /nfs/dbraw/zinc/34/35/26/601343526.db2.gz ZHRDVRTVHREWKT-HNNXBMFYSA-N -1 0 377.299 3.151 20 30 GGEDRM CC(=O)Nc1sc2c(c1C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1)CCCC2 ZINC000825922613 601343821 /nfs/dbraw/zinc/34/38/21/601343821.db2.gz HGLMRMFHABBICK-QGZVFWFLSA-N -1 0 398.440 3.440 20 30 GGEDRM N#Cc1cccc([C@H](OC(=O)c2ccc(OC[C@H]3CCCO3)cc2)C(=O)[O-])c1 ZINC000833075700 601344273 /nfs/dbraw/zinc/34/42/73/601344273.db2.gz DEMWIWMYUHXAKZ-MOPGFXCFSA-N -1 0 381.384 3.099 20 30 GGEDRM COc1cccc(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)c1OC(F)F ZINC000832524007 601344931 /nfs/dbraw/zinc/34/49/31/601344931.db2.gz OKTRGZKKCIDNHE-AWEZNQCLSA-N -1 0 377.299 3.151 20 30 GGEDRM Cc1nn(-c2ccccc2)c(C)c1C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000833012011 601345210 /nfs/dbraw/zinc/34/52/10/601345210.db2.gz WFZMOJIWVHIMPZ-IBGZPJMESA-N -1 0 375.384 3.344 20 30 GGEDRM CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000825828835 601345465 /nfs/dbraw/zinc/34/54/65/601345465.db2.gz OOMKJBXECKMHMG-CTNGQTDRSA-N -1 0 390.395 3.191 20 30 GGEDRM CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000825828836 601345499 /nfs/dbraw/zinc/34/54/99/601345499.db2.gz OOMKJBXECKMHMG-FPOVZHCZSA-N -1 0 390.395 3.191 20 30 GGEDRM C=CCc1cc(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc(OC)c1OC ZINC000825705351 601345504 /nfs/dbraw/zinc/34/55/04/601345504.db2.gz CURPWVDKKYSXCN-LJQANCHMSA-N -1 0 381.384 3.287 20 30 GGEDRM N#Cc1cccc([C@@H](OC(=O)c2cccc(OC[C@@H]3CCCO3)c2)C(=O)[O-])c1 ZINC000833077578 601345517 /nfs/dbraw/zinc/34/55/17/601345517.db2.gz WUTWUEGAATYFSC-RBUKOAKNSA-N -1 0 381.384 3.099 20 30 GGEDRM N#Cc1cccc([C@H](OC(=O)c2cccc(OC[C@H]3CCCO3)c2)C(=O)[O-])c1 ZINC000833077576 601345545 /nfs/dbraw/zinc/34/55/45/601345545.db2.gz WUTWUEGAATYFSC-MOPGFXCFSA-N -1 0 381.384 3.099 20 30 GGEDRM N#Cc1cccc([C@H](OC(=O)c2ccc(Br)cc2F)C(=O)[O-])c1 ZINC000833077214 601346381 /nfs/dbraw/zinc/34/63/81/601346381.db2.gz NHVMQGJKNOIYBV-AWEZNQCLSA-N -1 0 378.153 3.443 20 30 GGEDRM Cc1c(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)[nH]c2c1C(=O)CC(C)(C)C2 ZINC000832853203 601346612 /nfs/dbraw/zinc/34/66/12/601346612.db2.gz FMPGUFKSDNZAID-SFHVURJKSA-N -1 0 380.400 3.333 20 30 GGEDRM Cc1c(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)cnn1-c1ccccc1F ZINC000832853496 601346785 /nfs/dbraw/zinc/34/67/85/601346785.db2.gz IGZWYDKWZCAALF-GOSISDBHSA-N -1 0 379.347 3.174 20 30 GGEDRM N#Cc1cccc([C@@H](OC(=O)c2cc(F)ccc2Br)C(=O)[O-])c1 ZINC000833077219 601347959 /nfs/dbraw/zinc/34/79/59/601347959.db2.gz NJNNIUNCGVTNLJ-CQSZACIVSA-N -1 0 378.153 3.443 20 30 GGEDRM C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000828191461 601348038 /nfs/dbraw/zinc/34/80/38/601348038.db2.gz DDHHWXNVQOYMNY-OCBCSQNSSA-N -1 0 378.384 3.135 20 30 GGEDRM C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000828191459 601348119 /nfs/dbraw/zinc/34/81/19/601348119.db2.gz DDHHWXNVQOYMNY-NXOUGTEYSA-N -1 0 378.384 3.135 20 30 GGEDRM C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000828191465 601348236 /nfs/dbraw/zinc/34/82/36/601348236.db2.gz DDHHWXNVQOYMNY-UUWFMWQGSA-N -1 0 378.384 3.135 20 30 GGEDRM Cc1cc(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)c(C)n1Cc1ccccn1 ZINC000832868016 601348481 /nfs/dbraw/zinc/34/84/81/601348481.db2.gz IQVAISHGRXTPBC-FQEVSTJZSA-N -1 0 389.411 3.403 20 30 GGEDRM COc1ccc(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1OC(F)F ZINC000832212853 601349370 /nfs/dbraw/zinc/34/93/70/601349370.db2.gz KDOLYVTXGONSAT-HNNXBMFYSA-N -1 0 377.299 3.151 20 30 GGEDRM N#Cc1cccc([C@H](OC(=O)c2ccn(-c3cccc(Cl)c3)n2)C(=O)[O-])c1 ZINC000833075328 601350625 /nfs/dbraw/zinc/35/06/25/601350625.db2.gz ABHXZYQDJCUXST-KRWDZBQOSA-N -1 0 381.775 3.380 20 30 GGEDRM N#Cc1cccc([C@H](OC(=O)c2ccc(Br)c(F)c2)C(=O)[O-])c1 ZINC000833077510 601351378 /nfs/dbraw/zinc/35/13/78/601351378.db2.gz VBMKRINSPMORLX-AWEZNQCLSA-N -1 0 378.153 3.443 20 30 GGEDRM N#Cc1cccc([C@@H](OC(=O)c2ccc(Br)cc2O)C(=O)[O-])c1 ZINC000833077621 601351577 /nfs/dbraw/zinc/35/15/77/601351577.db2.gz XQXKIVTXKLVPBO-CQSZACIVSA-N -1 0 376.162 3.009 20 30 GGEDRM COc1cc(Br)ccc1C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000831861034 601351724 /nfs/dbraw/zinc/35/17/24/601351724.db2.gz KXPZRHFZOSSBIK-OAHLLOKOSA-N -1 0 390.189 3.312 20 30 GGEDRM COc1cc(Br)ccc1C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000831861033 601351954 /nfs/dbraw/zinc/35/19/54/601351954.db2.gz KXPZRHFZOSSBIK-HNNXBMFYSA-N -1 0 390.189 3.312 20 30 GGEDRM CC1CCN(c2ccc(C(=O)O[C@H](C(=O)[O-])c3cccc(C#N)c3)cn2)CC1 ZINC000828303229 601351995 /nfs/dbraw/zinc/35/19/95/601351995.db2.gz MXLXRNCRQCYRST-IBGZPJMESA-N -1 0 379.416 3.172 20 30 GGEDRM N#Cc1cccc([C@@H](OC(=O)c2cc(Br)cnc2Cl)C(=O)[O-])c1 ZINC000833075656 601352173 /nfs/dbraw/zinc/35/21/73/601352173.db2.gz CXUDZFKZQATXCJ-GFCCVEGCSA-N -1 0 395.596 3.352 20 30 GGEDRM Cc1oc(-c2ccsc2)nc1CC(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000833024930 601352263 /nfs/dbraw/zinc/35/22/63/601352263.db2.gz XZMCBYWNQOTWIJ-KRWDZBQOSA-N -1 0 382.397 3.495 20 30 GGEDRM CCN(CC)C(=O)c1ccc(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000829659213 601352885 /nfs/dbraw/zinc/35/28/85/601352885.db2.gz WWMGMRVWRNMNRW-GOSISDBHSA-N -1 0 380.400 3.023 20 30 GGEDRM Cc1cc(Br)cc(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)c1N ZINC000832858135 601353944 /nfs/dbraw/zinc/35/39/44/601353944.db2.gz BJMHTAWYZNUYPF-OAHLLOKOSA-N -1 0 389.205 3.194 20 30 GGEDRM CC(C)(C)C(=O)NCc1ccc(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000826134811 601354361 /nfs/dbraw/zinc/35/43/61/601354361.db2.gz AMPVKAFYZUHPOC-SFHVURJKSA-N -1 0 394.427 3.203 20 30 GGEDRM N#Cc1cccc([C@@H](OC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(=O)[O-])c1 ZINC000833077495 601355209 /nfs/dbraw/zinc/35/52/09/601355209.db2.gz USEJRHKTGBOMGR-CQSZACIVSA-N -1 0 394.261 3.468 20 30 GGEDRM COc1ccc(C(=O)CCC(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1F ZINC000832157781 601357371 /nfs/dbraw/zinc/35/73/71/601357371.db2.gz WLNNIWNCHWZPHY-IBGZPJMESA-N -1 0 385.347 3.038 20 30 GGEDRM CC(=O)C1=C(C(=O)[O-])N(c2ccc(C)c(F)c2)C(=O)N[C@H]1c1cc(C#N)cs1 ZINC000825813053 601376560 /nfs/dbraw/zinc/37/65/60/601376560.db2.gz CHNYVAFKXZDJJR-INIZCTEOSA-N -1 0 399.403 3.266 20 30 GGEDRM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000832869481 601385280 /nfs/dbraw/zinc/38/52/80/601385280.db2.gz XSBBYZMKPSQNBH-ROUUACIJSA-N -1 0 384.457 3.154 20 30 GGEDRM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000832869480 601385373 /nfs/dbraw/zinc/38/53/73/601385373.db2.gz XSBBYZMKPSQNBH-QZTJIDSGSA-N -1 0 384.457 3.154 20 30 GGEDRM N#C[C@H](c1ccccc1)[C@H]1CCCN1S(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC000833063819 601386128 /nfs/dbraw/zinc/38/61/28/601386128.db2.gz BEGFJWJDGMOADX-WANZOYLWSA-N -1 0 396.468 3.245 20 30 GGEDRM N#Cc1ccc(OCCNC(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)cc1 ZINC000833071958 601418671 /nfs/dbraw/zinc/41/86/71/601418671.db2.gz RAURTNOERZBKAM-KRWDZBQOSA-N -1 0 387.823 3.106 20 30 GGEDRM N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000833064414 601426678 /nfs/dbraw/zinc/42/66/78/601426678.db2.gz IWRUJVNWZQLAFF-MSOLQXFVSA-N -1 0 379.372 3.205 20 30 GGEDRM Cc1cc(C(=O)COC(=O)c2cc(C#N)c[nH]2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000832857902 601430910 /nfs/dbraw/zinc/43/09/10/601430910.db2.gz DBLQCRXIIQADJN-UHFFFAOYSA-N -1 0 391.383 3.032 20 30 GGEDRM N#Cc1ccc(C(=O)OCC(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)s1 ZINC000833072068 601469496 /nfs/dbraw/zinc/46/94/96/601469496.db2.gz NVHBQHIBAVIEFY-UHFFFAOYSA-N -1 0 390.442 3.054 20 30 GGEDRM N#Cc1ccc(C(=O)OCC(=O)Nc2c(Cl)cc(Cl)cc2C(=O)[O-])s1 ZINC000833070715 601469513 /nfs/dbraw/zinc/46/95/13/601469513.db2.gz AFCDHHBKYHTFFP-UHFFFAOYSA-N -1 0 399.211 3.420 20 30 GGEDRM N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)C(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000833064118 601478222 /nfs/dbraw/zinc/47/82/22/601478222.db2.gz FISGFZITITZUDW-ZWKOTPCHSA-N -1 0 392.415 3.013 20 30 GGEDRM C=CCOc1ccc(/C=C\C(=O)N2CCc3ccccc3[C@@H]2C(=O)[O-])cc1OC ZINC000767040961 601484083 /nfs/dbraw/zinc/48/40/83/601484083.db2.gz FXVUCJPRYQFXKG-NAMLBJQJSA-N -1 0 393.439 3.484 20 30 GGEDRM Cc1cc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C)cc(C)c1OCC(=O)[O-] ZINC000832858321 601499116 /nfs/dbraw/zinc/49/91/16/601499116.db2.gz BWJPWAGZVCLXQG-OAHLLOKOSA-N -1 0 377.400 3.144 20 30 GGEDRM Cc1cccc(NC(=O)[C@H](C#N)C(=O)c2cc(C)c(OCC(=O)[O-])c(C)c2)c1 ZINC000832971499 601499454 /nfs/dbraw/zinc/49/94/54/601499454.db2.gz RCHGTUOQAQZAKS-QGZVFWFLSA-N -1 0 380.400 3.036 20 30 GGEDRM Cc1ccc(C(=O)[O-])cc1NC(=O)CN1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000832916815 601539756 /nfs/dbraw/zinc/53/97/56/601539756.db2.gz RWHJGUHADPZTOI-UYAOXDASSA-N -1 0 377.444 3.404 20 30 GGEDRM N#C[C@H](c1ccccc1)[C@@H]1CCCN1Cc1nc2cc(C(=O)[O-])ccc2c(=O)[nH]1 ZINC000833065171 601539792 /nfs/dbraw/zinc/53/97/92/601539792.db2.gz UMJRLORZJHFQSU-MJGOQNOKSA-N -1 0 388.427 3.305 20 30 GGEDRM Cc1cccc(N(CCC#N)C(=O)CN2CCc3ccccc3[C@H]2C(=O)[O-])c1C ZINC000832971066 601546514 /nfs/dbraw/zinc/54/65/14/601546514.db2.gz HBLFJJYASYPYMA-QFIPXVFZSA-N -1 0 391.471 3.234 20 30 GGEDRM COc1cc(CN2CC[C@@](F)(C(=O)[O-])C2)ccc1OCc1cccc(C#N)c1 ZINC000831995371 601551058 /nfs/dbraw/zinc/55/10/58/601551058.db2.gz JMURFVDSLNWEEZ-NRFANRHFSA-N -1 0 384.407 3.144 20 30 GGEDRM C[C@](CO)(NC(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1)C1CC1 ZINC000827512141 601551195 /nfs/dbraw/zinc/55/11/95/601551195.db2.gz ITTLVCIIXOQBEP-JOCHJYFZSA-N -1 0 378.428 3.067 20 30 GGEDRM Cc1cc(C(=O)Nc2cc(C#N)ccc2OC(F)F)cc(C)c1OCC(=O)[O-] ZINC000832865311 601551850 /nfs/dbraw/zinc/55/18/50/601551850.db2.gz VNNFVSFKWGDLQU-UHFFFAOYSA-N -1 0 390.342 3.492 20 30 GGEDRM C[C@@](NC(=O)c1cc(C#N)cs1)(C(=O)[O-])c1cccc(Br)c1 ZINC000827694406 601562772 /nfs/dbraw/zinc/56/27/72/601562772.db2.gz FHRJNFYEJMMKEV-HNNXBMFYSA-N -1 0 379.235 3.112 20 30 GGEDRM C=CCN(CCc1ccccc1)S(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1 ZINC000825681572 601574101 /nfs/dbraw/zinc/57/41/01/601574101.db2.gz CHIVFCAGFLYVCK-UHFFFAOYSA-N -1 0 381.400 3.082 20 30 GGEDRM N#Cc1cc(Br)cc(S(=O)(=O)Nc2cccc(NC(=O)[O-])c2)c1 ZINC000833068503 601575178 /nfs/dbraw/zinc/57/51/78/601575178.db2.gz YYLVETGWTQJGFK-UHFFFAOYSA-N -1 0 396.222 3.211 20 30 GGEDRM N#Cc1cc(Br)cc(S(=O)(=O)Oc2ccc(NC(=O)[O-])cc2)c1 ZINC000833067372 601580034 /nfs/dbraw/zinc/58/00/34/601580034.db2.gz BDKIILQACHLZLC-UHFFFAOYSA-N -1 0 397.206 3.178 20 30 GGEDRM C=CCc1ccc(OCC(=O)N[C@H](C(=O)[O-])c2ccc(Cl)cc2)c(OC)c1 ZINC000539565945 601580490 /nfs/dbraw/zinc/58/04/90/601580490.db2.gz REUNLLFEXSBKGC-IBGZPJMESA-N -1 0 389.835 3.398 20 30 GGEDRM Cc1c(C(=O)[O-])c2cc(OS(=O)(=O)c3ccc(C#N)cc3C)ccc2n1C ZINC000832859109 601585425 /nfs/dbraw/zinc/58/54/25/601585425.db2.gz LEEDVMOENPUOLN-UHFFFAOYSA-N -1 0 384.413 3.133 20 30 GGEDRM N#Cc1ccc([C@H](OC(=O)[C@@H](O)c2cc(Cl)cc(Cl)c2)C(=O)[O-])cc1 ZINC000833071137 601610826 /nfs/dbraw/zinc/61/08/26/601610826.db2.gz CUZPRHCDPCCHLS-GJZGRUSLSA-N -1 0 380.183 3.268 20 30 GGEDRM N#Cc1ccc([C@@H](OC(=O)[C@H](O)c2cc(Cl)cc(Cl)c2)C(=O)[O-])cc1 ZINC000833071139 601610869 /nfs/dbraw/zinc/61/08/69/601610869.db2.gz CUZPRHCDPCCHLS-HUUCEWRRSA-N -1 0 380.183 3.268 20 30 GGEDRM C=CCNC(=O)c1ccc(NC(=O)N[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])cc1 ZINC000825687469 601620155 /nfs/dbraw/zinc/62/01/55/601620155.db2.gz LMXQLRKWJOFSLH-KBXCAEBGSA-N -1 0 381.432 3.186 20 30 GGEDRM C=CCNC(=O)c1ccc(NC(=O)N[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])cc1 ZINC000825687472 601620211 /nfs/dbraw/zinc/62/02/11/601620211.db2.gz LMXQLRKWJOFSLH-RDTXWAMCSA-N -1 0 381.432 3.186 20 30 GGEDRM N#Cc1ccccc1Sc1ccccc1C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000833076920 601669559 /nfs/dbraw/zinc/66/95/59/601669559.db2.gz SGPHKGNQAFJFJD-OAHLLOKOSA-N -1 0 382.441 3.025 20 30 GGEDRM N#Cc1cc(F)c(C(=O)N[C@H](C(=O)[O-])c2ccc(Br)cc2)c(F)c1 ZINC000833069198 601672800 /nfs/dbraw/zinc/67/28/00/601672800.db2.gz XCGBGVRXJOHISU-AWEZNQCLSA-N -1 0 395.159 3.155 20 30 GGEDRM N#CCc1ccc(OCc2cccc(NC(=O)N3CC[C@](F)(C(=O)[O-])C3)c2)cc1 ZINC000833069088 601695904 /nfs/dbraw/zinc/69/59/04/601695904.db2.gz LXYHVJNXOCCIMT-OAQYLSRUSA-N -1 0 397.406 3.362 20 30 GGEDRM Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000832900793 601701693 /nfs/dbraw/zinc/70/16/93/601701693.db2.gz MLKXJPWSUGDVBT-SFHVURJKSA-N -1 0 395.415 3.366 20 30 GGEDRM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1nnc(CCCC(=O)[O-])s1 ZINC000833064175 601726021 /nfs/dbraw/zinc/72/60/21/601726021.db2.gz GASAYQTZIIVHHS-GJZGRUSLSA-N -1 0 399.476 3.249 20 30 GGEDRM C=CCOc1ccc(/C=C\C(=O)N[C@H](C(=O)[O-])c2ccccc2F)cc1OC ZINC000776665722 601746467 /nfs/dbraw/zinc/74/64/67/601746467.db2.gz FLPMYQVQQHVRGC-XADARROHSA-N -1 0 385.391 3.354 20 30 GGEDRM C=C[C@@H](C)NC(=O)Nc1cccc(-c2c(C(=O)OC)c(C(=O)[O-])c3n2CCC3)c1 ZINC000825660166 601752870 /nfs/dbraw/zinc/75/28/70/601752870.db2.gz YFFDXAYQMNRQHN-GFCCVEGCSA-N -1 0 397.431 3.282 20 30 GGEDRM COc1ccc(CNC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc1C(=O)[O-] ZINC000832324003 601766177 /nfs/dbraw/zinc/76/61/77/601766177.db2.gz SFCRTMJKJRYOPI-OALUTQOASA-N -1 0 393.443 3.375 20 30 GGEDRM COC(=O)c1ccc(NCc2ccc(C#N)cc2OC(F)F)cc1C(=O)[O-] ZINC000831434761 601787251 /nfs/dbraw/zinc/78/72/51/601787251.db2.gz BIWZBTPGDNTOQI-UHFFFAOYSA-N -1 0 376.315 3.257 20 30 GGEDRM Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)S(=O)(=O)C[C@@H](C)C(=O)[O-] ZINC000832890643 601789604 /nfs/dbraw/zinc/78/96/04/601789604.db2.gz XYZCYRCZEOXJNL-CQSZACIVSA-N -1 0 390.436 3.063 20 30 GGEDRM O=C([O-])c1cc(C=NN2C(=S)N=NC2Cc2cccc3ccccc32)c[nH]1 ZINC000814731730 601795902 /nfs/dbraw/zinc/79/59/02/601795902.db2.gz ZPZODGACHIEMQZ-UHFFFAOYSA-N -1 0 377.429 3.219 20 30 GGEDRM Cc1ccc(C(C)C)c(OCC2N=NC(=S)N2N=Cc2c[nH]c(C(=O)[O-])c2)c1 ZINC000814775871 601796812 /nfs/dbraw/zinc/79/68/12/601796812.db2.gz AKDBKCSVEGAKDG-UHFFFAOYSA-N -1 0 399.476 3.486 20 30 GGEDRM C=CCn1c(-c2cccnc2)nn(CN2CCC(CCC(=O)[O-])CC2)c1=S ZINC000825705487 601799135 /nfs/dbraw/zinc/79/91/35/601799135.db2.gz JQBZWVXUQXZDAD-UHFFFAOYSA-N -1 0 387.509 3.196 20 30 GGEDRM C=CCN(CC(=O)Nc1nc(CC(=O)[O-])cs1)Cc1ccc(Cl)s1 ZINC000825675749 601800219 /nfs/dbraw/zinc/80/02/19/601800219.db2.gz CSPZKXIHJMSTLC-UHFFFAOYSA-N -1 0 385.898 3.112 20 30 GGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)Cc1ccn(-c2ccccc2)n1 ZINC000825702081 601801126 /nfs/dbraw/zinc/80/11/26/601801126.db2.gz CDVUNLFSRZPGDC-UHFFFAOYSA-N -1 0 392.411 3.456 20 30 GGEDRM C=CCn1c(-c2ccc(F)cc2)nn(CN2C[C@H](C(=O)[O-])[C@H](C)C2)c1=S ZINC000825705633 601812067 /nfs/dbraw/zinc/81/20/67/601812067.db2.gz PPNZWUNNQQMMMV-DOMZBBRYSA-N -1 0 376.457 3.016 20 30 GGEDRM C=CCn1c(-c2ccccc2F)nn(CN2C[C@@H](C)[C@H](C(=O)[O-])C2)c1=S ZINC000825705719 601817048 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383.415 3.224 20 30 GGEDRM Cc1cc(C)c(C)c(S(=O)(=O)[N-]C(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)c1C ZINC000078556479 1409926191 /nfs/dbraw/zinc/92/61/91/1409926191.db2.gz MAQCJIRKQQSESD-QGZVFWFLSA-N -1 0 392.521 3.214 20 30 GGEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccc3c(c2)CCO3)c(C(F)(F)F)c1 ZINC000084340779 1410035963 /nfs/dbraw/zinc/03/59/63/1410035963.db2.gz PQRVOXATJJQPIU-UHFFFAOYSA-N -1 0 396.346 3.205 20 30 GGEDRM C[C@H](CC(=O)[N-]S(=O)(=O)c1ccc2c(c1)OCCO2)c1ccc(F)cc1 ZINC000084636819 1410037766 /nfs/dbraw/zinc/03/77/66/1410037766.db2.gz HBKWHYAKOMPWMM-GFCCVEGCSA-N -1 0 379.409 3.436 20 30 GGEDRM N#Cc1ccc(NCc2nc(-c3cccc(-c4nnn[n-]4)c3)c[nH]2)cc1Cl ZINC000826385339 1428450204 /nfs/dbraw/zinc/45/02/04/1428450204.db2.gz HWLRDEPTBCEIOT-UHFFFAOYSA-N -1 0 376.811 3.394 20 30 GGEDRM O=C([N-]S(=O)(=O)c1ccc(F)cc1)[C@@H]1CCCN1Cc1ccc(F)cc1 ZINC000091810426 1410082806 /nfs/dbraw/zinc/08/28/06/1410082806.db2.gz OGSCTKMFCZXPPK-KRWDZBQOSA-N -1 0 380.416 3.275 20 30 GGEDRM 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379.800 3.358 20 30 GGEDRM N#Cc1ccc([O-])c(NC(=O)c2cccc(CS(=O)(=O)c3ccccc3)c2)c1 ZINC000176825781 1428487501 /nfs/dbraw/zinc/48/75/01/1428487501.db2.gz ISRQFPSBKSOMLL-UHFFFAOYSA-N -1 0 392.436 3.490 20 30 GGEDRM N#Cc1ccc([O-])c(NC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)c1 ZINC000176827016 1428488310 /nfs/dbraw/zinc/48/83/10/1428488310.db2.gz PYKNZKJKZPQGAH-HNNXBMFYSA-N -1 0 383.835 3.408 20 30 GGEDRM Cc1c(C(=O)Nc2cc(C#N)ccc2[O-])nnn1-c1cccc(Br)c1 ZINC000176827568 1428488853 /nfs/dbraw/zinc/48/88/53/1428488853.db2.gz QIPDMTXQCKHILC-UHFFFAOYSA-N -1 0 398.220 3.168 20 30 GGEDRM N#Cc1ccc([O-])c(NC(=O)c2cnn(-c3ccc(Br)cc3)c2)c1 ZINC000176827490 1428489385 /nfs/dbraw/zinc/48/93/85/1428489385.db2.gz PLDTZMDDJKYPRH-UHFFFAOYSA-N -1 0 383.205 3.464 20 30 GGEDRM O=C(C/N=C/c1cc(Br)cc(Br)c1[O-])OCC1CC1 ZINC000101799723 1410504078 /nfs/dbraw/zinc/50/40/78/1410504078.db2.gz RPELICLBINCFAU-FZSIALSZSA-N -1 0 391.059 3.289 20 30 GGEDRM N#Cc1ccc([O-])c(NC(=O)C2CCN(C(=O)/C=C/c3ccccc3)CC2)c1 ZINC000176830510 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388.392 3.247 20 30 GGEDRM N#CC(=C([O-])c1cnn(-c2ccc(F)cc2)n1)c1nc(-c2ccncc2)cs1 ZINC000122026734 1414343384 /nfs/dbraw/zinc/34/33/84/1414343384.db2.gz DDHWQLVXXQWZKS-OAHLLOKOSA-N -1 0 390.403 3.415 20 30 GGEDRM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cc(F)ccc1OC(F)F ZINC000122039498 1414346366 /nfs/dbraw/zinc/34/63/66/1414346366.db2.gz PPTPESITGMFTHE-UHFFFAOYSA-N -1 0 387.295 3.008 20 30 GGEDRM CCCOc1cc(F)ccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000122044515 1414347799 /nfs/dbraw/zinc/34/77/99/1414347799.db2.gz XVVVTJTUVLEQBV-UHFFFAOYSA-N -1 0 379.369 3.195 20 30 GGEDRM CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)Nc2cc(Cl)c([O-])c(Cl)c2)n1 ZINC000122106690 1414364307 /nfs/dbraw/zinc/36/43/07/1414364307.db2.gz WAWVIDSWCDMEHV-UHFFFAOYSA-N -1 0 396.234 3.099 20 30 GGEDRM CC[C@@H](C#N)OC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000122187546 1414383093 /nfs/dbraw/zinc/38/30/93/1414383093.db2.gz XVFRWVXKKBYYSA-LBPRGKRZSA-N -1 0 380.372 3.225 20 30 GGEDRM CC(C)Oc1cc(Br)cc(C([O-])=C(C#N)C(=O)N2CCCC2)c1 ZINC000177592908 1428806161 /nfs/dbraw/zinc/80/61/61/1428806161.db2.gz MJFZPFBFAAAVFO-HNNXBMFYSA-N -1 0 379.254 3.181 20 30 GGEDRM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(CC#N)cc2)c(Cl)cc1F ZINC000122314262 1414421450 /nfs/dbraw/zinc/42/14/50/1414421450.db2.gz IQOXHRNBOAIEPF-UHFFFAOYSA-N -1 0 382.800 3.133 20 30 GGEDRM N#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000122330231 1414425783 /nfs/dbraw/zinc/42/57/83/1414425783.db2.gz VHXCHLXNZZGKDH-UHFFFAOYSA-N -1 0 399.325 3.419 20 30 GGEDRM N#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000122393849 1414444887 /nfs/dbraw/zinc/44/48/87/1414444887.db2.gz SKWPPZARZGGLTJ-UHFFFAOYSA-N -1 0 385.760 3.090 20 30 GGEDRM N#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1cccc(Br)c1 ZINC000122400401 1414447261 /nfs/dbraw/zinc/44/72/61/1414447261.db2.gz CDQLCTSLYBSVOK-UHFFFAOYSA-N -1 0 385.214 3.291 20 30 GGEDRM COc1ccc(C=CC(=O)c2ccc(-n3ccnc3C)cc2)cc1-c1nn[n-]n1 ZINC000821787130 1428809228 /nfs/dbraw/zinc/80/92/28/1428809228.db2.gz OOAATIDYVUMTOZ-YCRREMRBSA-N -1 0 386.415 3.266 20 30 GGEDRM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2sc(C)nc2CC(C)C)c1 ZINC000122484931 1414476867 /nfs/dbraw/zinc/47/68/67/1414476867.db2.gz CMUBCVPCPGJTBJ-UHFFFAOYSA-N -1 0 393.534 3.367 20 30 GGEDRM Cn1ccnc1C([O-])=C(C#N)C(=O)CCCOc1cccc(Cl)c1Cl ZINC000122538576 1414493639 /nfs/dbraw/zinc/49/36/39/1414493639.db2.gz ROQIPLQDEYZNFD-NSHDSACASA-N -1 0 380.231 3.478 20 30 GGEDRM COc1cc(C([O-])=C(C#N)C(=O)c2nccn2C)cc(Cl)c1OCC(C)C ZINC000122554475 1414498710 /nfs/dbraw/zinc/49/87/10/1414498710.db2.gz IWYROKRMQOCOAD-CYBMUJFWSA-N -1 0 389.839 3.322 20 30 GGEDRM CCOc1cc(C#N)cc(Cl)c1OC(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000825615561 1428814077 /nfs/dbraw/zinc/81/40/77/1428814077.db2.gz AETNCPVKNPSJNG-UHFFFAOYSA-N -1 0 383.795 3.318 20 30 GGEDRM Cn1ccnc1C(=O)C(C#N)=C([O-])c1ccc(Sc2ccccc2Cl)nn1 ZINC000122606595 1414514899 /nfs/dbraw/zinc/51/48/99/1414514899.db2.gz CIPRJINKMSPNRO-LLVKDONJSA-N -1 0 397.847 3.220 20 30 GGEDRM Cn1ccnc1C(=O)C(C#N)=C([O-])c1cccc(COc2cccc(F)c2)c1 ZINC000122635885 1414525081 /nfs/dbraw/zinc/52/50/81/1414525081.db2.gz MEVUZMZTCUQOAT-GOSISDBHSA-N -1 0 377.375 3.344 20 30 GGEDRM Cc1cc(Br)cc2cc(C([O-])=C(C#N)C(=O)N3CCCC3)oc21 ZINC000122672007 1414534112 /nfs/dbraw/zinc/53/41/12/1414534112.db2.gz VAYWQNXIWNRETH-CYBMUJFWSA-N -1 0 375.222 3.449 20 30 GGEDRM CCc1noc(C)c1CSc1nc(-c2ccc(OC)cc2)c(C#N)c(=O)[n-]1 ZINC000122687336 1414538740 /nfs/dbraw/zinc/53/87/40/1414538740.db2.gz XUNVVDUSTLJWQU-UHFFFAOYSA-N -1 0 382.445 3.468 20 30 GGEDRM Cn1ccnc1C(=O)C(C#N)=C([O-])c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000122691550 1414539826 /nfs/dbraw/zinc/53/98/26/1414539826.db2.gz XAOONDDICAIWMH-HNNXBMFYSA-N -1 0 389.371 3.277 20 30 GGEDRM Cn1c2ccccc2nc1C(C#N)=C([O-])c1nc(N2CCCC2)ncc1Cl ZINC000122978108 1414611603 /nfs/dbraw/zinc/61/16/03/1414611603.db2.gz VIYVXRZXLRCCHX-LBPRGKRZSA-N -1 0 380.839 3.107 20 30 GGEDRM Cn1ccnc1C(=O)C(C#N)=C([O-])c1ccc(Oc2ccncc2)c(Cl)c1 ZINC000123000312 1414616803 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392.440 3.144 20 30 GGEDRM N#Cc1cc(F)c(S(=O)(=O)[N-]C[C@H](c2cccs2)N2CCCC2)c(F)c1 ZINC000124025950 1414871971 /nfs/dbraw/zinc/87/19/71/1414871971.db2.gz UUTILZKOARMHGC-OAHLLOKOSA-N -1 0 397.472 3.013 20 30 GGEDRM CC(C)c1csc([C@H](C#N)C(=O)c2ccc3c(c2)[n-]c(=S)n(C)c3=O)n1 ZINC000177742975 1428847841 /nfs/dbraw/zinc/84/78/41/1428847841.db2.gz BOBWXVJPOGUNSJ-GFCCVEGCSA-N -1 0 384.486 3.292 20 30 GGEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1sc(-c2ccc(F)cc2)nc1C ZINC000124260196 1414923672 /nfs/dbraw/zinc/92/36/72/1414923672.db2.gz SCRBTQLIKIUFEF-OAHLLOKOSA-N -1 0 389.452 3.123 20 30 GGEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1csc(-c2ccc(Cl)cc2)n1 ZINC000124271247 1414925667 /nfs/dbraw/zinc/92/56/67/1414925667.db2.gz AEUDFDQBEZXXCB-AWEZNQCLSA-N -1 0 391.880 3.329 20 30 GGEDRM CC(C)c1csc(C(C#N)=C([O-])c2cc(C(N)=O)n(-c3ccccc3)n2)n1 ZINC000177746489 1428848805 /nfs/dbraw/zinc/84/88/05/1428848805.db2.gz YDZCKPMETSNAGL-ZDUSSCGKSA-N -1 0 379.445 3.041 20 30 GGEDRM CC(C)c1csc(C(C#N)=C([O-])c2cnn(CC(=O)NC3CCCCC3)c2)n1 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N#Cc1cccc(S(=O)(=O)[N-]c2nc(-c3ccc4c(c3)CCO4)cs2)c1 ZINC000125963804 1415323677 /nfs/dbraw/zinc/32/36/77/1415323677.db2.gz CTGIPYVOPBNGQX-UHFFFAOYSA-N -1 0 383.454 3.417 20 30 GGEDRM Cc1cc(C(=O)O[C@@H](C)c2cccc(C#N)c2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826261060 1428917224 /nfs/dbraw/zinc/91/72/24/1428917224.db2.gz PGPYPWKPAOJGRW-AWEZNQCLSA-N -1 0 399.414 3.151 20 30 GGEDRM N#Cc1cc(F)c(S(=O)(=O)[N-]C[C@H](O)c2cc3ccccc3s2)c(F)c1 ZINC000126421208 1415447719 /nfs/dbraw/zinc/44/77/19/1415447719.db2.gz JWMVYCYQMHEJLH-AWEZNQCLSA-N -1 0 394.424 3.063 20 30 GGEDRM Cc1noc(-c2ccccc2)c1[N-]S(=O)(=O)c1ccc(C#N)cc1[N+](=O)[O-] ZINC000126457098 1415458487 /nfs/dbraw/zinc/45/84/87/1415458487.db2.gz OVTKGMISDVSCOH-UHFFFAOYSA-N -1 0 384.373 3.231 20 30 GGEDRM Cc1cc(-n2c(C)cc(C([O-])=C(C#N)C(=O)NCc3ccccc3)c2C)no1 ZINC000126751108 1415547328 /nfs/dbraw/zinc/54/73/28/1415547328.db2.gz GWZLCUHFPRIGHT-SFHVURJKSA-N -1 0 376.416 3.029 20 30 GGEDRM C=CCNC(=O)c1cccc(S(=O)(=O)Nc2cccc(-c3nc(C)co3)c2)c1 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ZINC000130963285 1416488285 /nfs/dbraw/zinc/48/82/85/1416488285.db2.gz LKSFKWXBQNFBOV-MRXNPFEDSA-N -1 0 381.407 3.234 20 30 GGEDRM Cc1cc(NC(=O)c2cccc(F)c2)sc1C([O-])=C(C#N)C(=O)NC(C)C ZINC000130965001 1416488620 /nfs/dbraw/zinc/48/86/20/1416488620.db2.gz HUQGGVPECKOWAW-CQSZACIVSA-N -1 0 387.436 3.295 20 30 GGEDRM Cc1cc(F)cc(S(=O)(=O)[N-]C(=O)CCCCOc2cccc(C#N)c2)c1 ZINC000131039919 1416499501 /nfs/dbraw/zinc/49/95/01/1416499501.db2.gz XNNHDIVXYSZEHT-UHFFFAOYSA-N -1 0 390.436 3.060 20 30 GGEDRM Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C([O-])=C(C#N)C(=O)NC(C)C)c12 ZINC000131071420 1416504767 /nfs/dbraw/zinc/50/47/67/1416504767.db2.gz XCWYZVIDKPJGEL-HNNXBMFYSA-N -1 0 383.496 3.465 20 30 GGEDRM Cc1cc(C([O-])=C(C#N)C(=O)NCCCOC(C)C)c(C)cc1Br ZINC000131145525 1416515831 /nfs/dbraw/zinc/51/58/31/1416515831.db2.gz VXAOLEZVFNZSDA-OAHLLOKOSA-N -1 0 395.297 3.320 20 30 GGEDRM C=C[C@@H](CC(=O)[N-]S(=O)(=O)c1cnn(Cc2ccccc2)c1)c1ccccc1 ZINC000131499596 1416567009 /nfs/dbraw/zinc/56/70/09/1416567009.db2.gz PHAKZFGWSVUXFM-SFHVURJKSA-N -1 0 395.484 3.096 20 30 GGEDRM O=S(=O)([N-]c1cccc(C#Cc2ccccc2)c1)c1cnn([C@H]2CCOC2)c1 ZINC000131800067 1416623484 /nfs/dbraw/zinc/62/34/84/1416623484.db2.gz WCBDSPDBEVWYSP-FQEVSTJZSA-N -1 0 393.468 3.045 20 30 GGEDRM N#Cc1c(NC(=O)c2ccc(-c3nn[n-]n3)nc2)sc2c1-c1ccccc1CC2 ZINC000737704564 1429113792 /nfs/dbraw/zinc/11/37/92/1429113792.db2.gz HHRIWSHWLDPNMU-UHFFFAOYSA-N -1 0 399.439 3.213 20 30 GGEDRM Cc1cccc(S(=O)(=O)[N-]c2ccccc2C(=O)NCc2ccco2)c1C#N ZINC000178593979 1429116452 /nfs/dbraw/zinc/11/64/52/1429116452.db2.gz JMMNCOBKKDUKLT-UHFFFAOYSA-N -1 0 395.440 3.191 20 30 GGEDRM CCc1ccc(S(=O)(=O)N(CCC#N)c2ccc(F)cc2)cc1C(=O)[O-] ZINC000178611529 1429121666 /nfs/dbraw/zinc/12/16/66/1429121666.db2.gz LONYZSZIAPGBLG-UHFFFAOYSA-N -1 0 376.409 3.195 20 30 GGEDRM N#Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(Oc3cccnc3)nc2)c(F)c1 ZINC000132153429 1416708374 /nfs/dbraw/zinc/70/83/74/1416708374.db2.gz PGCIEFBABYUSPJ-UHFFFAOYSA-N -1 0 388.355 3.220 20 30 GGEDRM C[C@@H](C#N)CNC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000735505582 1429129773 /nfs/dbraw/zinc/12/97/73/1429129773.db2.gz RKOQPRMQABUWMA-NSHDSACASA-N -1 0 382.811 3.202 20 30 GGEDRM COC(=O)c1ccc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)o1 ZINC000132657431 1416800719 /nfs/dbraw/zinc/80/07/19/1416800719.db2.gz DAXMZFLNRGZDGT-SECBINFHSA-N -1 0 381.171 3.334 20 30 GGEDRM O=C(/C=C/c1ccc([O-])c([N+](=O)[O-])c1)c1ccc(S(=O)(=O)CC(F)F)cc1 ZINC000132767535 1416812578 /nfs/dbraw/zinc/81/25/78/1416812578.db2.gz XMVDDGSANBUFAC-LREOWRDNSA-N -1 0 397.355 3.235 20 30 GGEDRM C=CCn1c(=O)c2ccc(C(=O)NCc3ccc(O)c(F)c3)cc2[n-]c1=S ZINC000133077165 1416849331 /nfs/dbraw/zinc/84/93/31/1416849331.db2.gz CJHLSZKXNHLWGB-UHFFFAOYSA-N -1 0 385.420 3.020 20 30 GGEDRM CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc(-c3nnn[n-]3)cs2)cc1 ZINC000821077379 1429139264 /nfs/dbraw/zinc/13/92/64/1429139264.db2.gz CVNGSSHFCPBWIP-HNNXBMFYSA-N -1 0 394.460 3.232 20 30 GGEDRM C=CCCO[C@H](C)C(=O)Nc1c(-c2nn[n-]n2)c(C)c(C)n1-c1ccccc1 ZINC000823899241 1429149098 /nfs/dbraw/zinc/14/90/98/1429149098.db2.gz RMKYTSBKLLFIJC-OAHLLOKOSA-N -1 0 380.452 3.194 20 30 GGEDRM C=CCn1c(SCc2nc(=O)c3sccc3[n-]2)nnc1-c1cccnc1 ZINC000134195489 1417036747 /nfs/dbraw/zinc/03/67/47/1417036747.db2.gz FJIFDOCRLPPNHU-UHFFFAOYSA-N -1 0 382.474 3.116 20 30 GGEDRM Cc1ccc(-c2ncco2)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1[N+](=O)[O-] ZINC000134685392 1417112477 /nfs/dbraw/zinc/11/24/77/1417112477.db2.gz QPLBJMLBIZUYLC-UHFFFAOYSA-N -1 0 384.373 3.231 20 30 GGEDRM C[C@@H]1CN(c2ccc([N-]S(=O)(=O)c3cccc(Cl)c3C#N)cc2)CCO1 ZINC000135327087 1417208038 /nfs/dbraw/zinc/20/80/38/1417208038.db2.gz SCJVTYCVVUWHJF-CYBMUJFWSA-N -1 0 391.880 3.238 20 30 GGEDRM CCCCCCC[C@@]1(C)NC(=O)N([N-]C(=O)c2cc(-c3ccccc3)[nH]n2)C1=O ZINC000136009858 1417285900 /nfs/dbraw/zinc/28/59/00/1417285900.db2.gz RUCLUALANBUICX-OAQYLSRUSA-N -1 0 397.479 3.393 20 30 GGEDRM C=C[C@@H](CC(=O)[N-]S(=O)(=O)c1cc(C)c(C)c([N+](=O)[O-])c1)c1ccccc1 ZINC000136034504 1417287788 /nfs/dbraw/zinc/28/77/88/1417287788.db2.gz SNJZECKGABEMSC-HNNXBMFYSA-N -1 0 388.445 3.376 20 30 GGEDRM CCS(=O)(=O)c1cccc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)c1 ZINC000136256976 1417305742 /nfs/dbraw/zinc/30/57/42/1417305742.db2.gz OOWOLQNJDCENCE-CQSZACIVSA-N -1 0 382.363 3.384 20 30 GGEDRM COc1cc(C([O-])=C(C#N)C(=O)NC2CCCCC2)sc1Br ZINC000136582517 1417329226 /nfs/dbraw/zinc/32/92/26/1417329226.db2.gz ZCJREWWFCMIBSU-SNVBAGLBSA-N -1 0 385.283 3.291 20 30 GGEDRM N#Cc1cccc(S(=O)(=O)[N-]C(=O)c2cc(-c3ccccn3)ccc2Cl)c1 ZINC000178807674 1429176639 /nfs/dbraw/zinc/17/66/39/1429176639.db2.gz PWDKDPICNVUVOC-UHFFFAOYSA-N -1 0 397.843 3.392 20 30 GGEDRM Cc1cccc(S(=O)(=O)[N-]c2ccccc2C(=O)N2CCCCC2)c1C#N ZINC000137213416 1417375414 /nfs/dbraw/zinc/37/54/14/1417375414.db2.gz PROSHMZVXOXFFO-UHFFFAOYSA-N -1 0 383.473 3.294 20 30 GGEDRM Cc1cccc(S(=O)(=O)[N-]c2ccc(CCC(=O)N3CCCC3)cc2)c1C#N ZINC000137306892 1417380048 /nfs/dbraw/zinc/38/00/48/1417380048.db2.gz YBYDZFQGKYIKJN-UHFFFAOYSA-N -1 0 397.500 3.223 20 30 GGEDRM Cc1cccc(S(=O)(=O)[N-]c2cccc(CN3CCCCC3=O)c2)c1C#N ZINC000137375905 1417382589 /nfs/dbraw/zinc/38/25/89/1417382589.db2.gz KWOQSNCGWTVFDI-UHFFFAOYSA-N -1 0 383.473 3.180 20 30 GGEDRM Cc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)NCC(C)C)cc2C)c1C#N ZINC000137375718 1417382888 /nfs/dbraw/zinc/38/28/88/1417382888.db2.gz PMRBYCMQEFWNGA-UHFFFAOYSA-N -1 0 385.489 3.362 20 30 GGEDRM Cc1cccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccncc3)c2)c1C#N ZINC000137394330 1417383010 /nfs/dbraw/zinc/38/30/10/1417383010.db2.gz FTOIWUFZDWDKHE-UHFFFAOYSA-N -1 0 392.440 3.315 20 30 GGEDRM Cc1cccc(S(=O)(=O)[N-]c2cc(F)ccc2OC[C@@H]2CCCO2)c1C#N ZINC000137475400 1417388030 /nfs/dbraw/zinc/38/80/30/1417388030.db2.gz MJVSLVUCMBBIHN-HNNXBMFYSA-N -1 0 390.436 3.364 20 30 GGEDRM CC(=O)N(Cc1ccc([N-]S(=O)(=O)c2cccc(C)c2C#N)cc1)C(C)C ZINC000137509287 1417389517 /nfs/dbraw/zinc/38/95/17/1417389517.db2.gz BVKYLIRHGOOHLS-UHFFFAOYSA-N -1 0 385.489 3.424 20 30 GGEDRM Cc1c(C(=O)/C=C/c2ccc(OCCC(=O)[O-])cc2)nnn1-c1ccccc1 ZINC000147678692 1417750599 /nfs/dbraw/zinc/75/05/99/1417750599.db2.gz ICZSRYGMKSECEG-FMIVXFBMSA-N -1 0 377.400 3.325 20 30 GGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cc2c(c(Br)c1)OCO2 ZINC000148949728 1417769502 /nfs/dbraw/zinc/76/95/02/1417769502.db2.gz VFVYREGVHJRJCH-LBPRGKRZSA-N -1 0 395.253 3.197 20 30 GGEDRM C=CC[C@@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Br)C(=O)[O-] ZINC000150189031 1417786430 /nfs/dbraw/zinc/78/64/30/1417786430.db2.gz DTUONTBFUDHGBK-LDYMZIIASA-N -1 0 376.634 3.015 20 30 GGEDRM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)N[C@H](CCC#N)c1ccccc1 ZINC000151289048 1417916335 /nfs/dbraw/zinc/91/63/35/1417916335.db2.gz PZWGEMLTHVAFNX-CQSZACIVSA-N -1 0 381.461 3.171 20 30 GGEDRM C=CCOc1cccc(NC(=O)C(=O)[N-]OCc2ccc(C(F)(F)F)cc2)c1 ZINC000151391196 1417946875 /nfs/dbraw/zinc/94/68/75/1417946875.db2.gz OTNWWLFCNRTKHG-UHFFFAOYSA-N -1 0 394.349 3.457 20 30 GGEDRM COCCOc1ccc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)cc1 ZINC000821693808 1429226895 /nfs/dbraw/zinc/22/68/95/1429226895.db2.gz OJXYSYACOZXOOW-VBKFSLOCSA-N -1 0 376.416 3.104 20 30 GGEDRM N#CC(=C([O-])c1cn(Cc2cccc(F)c2)nn1)c1ccc(C(F)(F)F)cn1 ZINC000151537391 1418017377 /nfs/dbraw/zinc/01/73/77/1418017377.db2.gz AJPVQYPUOQVKPP-CQSZACIVSA-N -1 0 389.312 3.369 20 30 GGEDRM Cc1ccc(S(=O)(=O)N(CCC#N)c2ccc(F)cc2)c(C)c1C(=O)[O-] ZINC000178955918 1429228187 /nfs/dbraw/zinc/22/81/87/1429228187.db2.gz PNLAKBYDSDCLOF-UHFFFAOYSA-N -1 0 376.409 3.250 20 30 GGEDRM Cc1c(C(=O)C=Cc2cc3c(c(Cl)c2)OCO3)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737201714 1429228355 /nfs/dbraw/zinc/22/83/55/1429228355.db2.gz HVVXWSWSDXCYOZ-SNAWJCMRSA-N -1 0 397.822 3.201 20 30 GGEDRM CC(C)C[C@H](C)CC(=O)[N-]S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000151736136 1418074753 /nfs/dbraw/zinc/07/47/53/1418074753.db2.gz UDGQPMFBMLEANN-NSHDSACASA-N -1 0 387.299 3.198 20 30 GGEDRM COc1ccccc1[C@H](C)NC(=O)Cn1[n-]c(C(C)(C)C)c(CCC#N)c1=O ZINC000151845996 1418100106 /nfs/dbraw/zinc/10/01/06/1418100106.db2.gz AVPWJSQHDMDYOU-AWEZNQCLSA-N -1 0 384.480 3.228 20 30 GGEDRM COc1ccccc1[C@@H](C)NC(=O)Cn1[n-]c(C(C)(C)C)c(CCC#N)c1=O ZINC000151846065 1418100121 /nfs/dbraw/zinc/10/01/21/1418100121.db2.gz AVPWJSQHDMDYOU-CQSZACIVSA-N -1 0 384.480 3.228 20 30 GGEDRM COc1ccc(CCNC(=O)C(C#N)=C([O-])c2cnc3ccc(F)cc3c2)cc1 ZINC000178986726 1429235049 /nfs/dbraw/zinc/23/50/49/1429235049.db2.gz UUXGUONSVDSJSG-LJQANCHMSA-N -1 0 391.402 3.064 20 30 GGEDRM Cc1c(NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)cccc1-c1nn[n-]n1 ZINC000822084963 1429273885 /nfs/dbraw/zinc/27/38/85/1429273885.db2.gz UILAFNXGQPSLKU-UHFFFAOYSA-N -1 0 375.436 3.489 20 30 GGEDRM C[C@@H](CC#N)NC(=O)c1cccc(Oc2cccc(Cl)c2-c2nn[n-]n2)c1 ZINC000735963839 1429289969 /nfs/dbraw/zinc/28/99/69/1429289969.db2.gz OURXLJYCVYJQOK-NSHDSACASA-N -1 0 382.811 3.344 20 30 GGEDRM CC(C)Oc1ccccc1C=NOCCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000735914858 1429316777 /nfs/dbraw/zinc/31/67/77/1429316777.db2.gz VKUSFJITWRPZKQ-UHFFFAOYSA-N -1 0 381.436 3.474 20 30 GGEDRM Cn1cc(C=CC(=O)c2cc(F)cc(F)c2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826359503 1429319407 /nfs/dbraw/zinc/31/94/07/1429319407.db2.gz IWAXCQHWIWEBDQ-SREVYHEPSA-N -1 0 392.369 3.442 20 30 GGEDRM CC1(C#N)CCN(C(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)CC1 ZINC000824779045 1429336538 /nfs/dbraw/zinc/33/65/38/1429336538.db2.gz SGYUUFAFROQCNR-UHFFFAOYSA-N -1 0 387.447 3.376 20 30 GGEDRM CCOc1ccc(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000825631618 1429378753 /nfs/dbraw/zinc/37/87/53/1429378753.db2.gz DZCJNXFCDALAHE-DAXSKMNVSA-N -1 0 383.339 3.209 20 30 GGEDRM C=C(C)CN(CC)C(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000735399054 1429386784 /nfs/dbraw/zinc/38/67/84/1429386784.db2.gz OGGFCTMOCIZBOJ-UHFFFAOYSA-N -1 0 377.448 3.484 20 30 GGEDRM Cc1cc(C(=O)N(C)c2cccc(C#N)c2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737226555 1429393584 /nfs/dbraw/zinc/39/35/84/1429393584.db2.gz BSHACPMLSOZIHJ-UHFFFAOYSA-N -1 0 397.442 3.423 20 30 GGEDRM N#C[C@@H](NC(=O)c1sccc1-c1nn[n-]n1)c1c(Cl)cccc1Cl ZINC000737676081 1429410004 /nfs/dbraw/zinc/41/00/04/1429410004.db2.gz UPSYVZKIUZXTEE-SNVBAGLBSA-N -1 0 379.232 3.230 20 30 GGEDRM C=C[C@H](CC(=O)[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000179572308 1429443054 /nfs/dbraw/zinc/44/30/54/1429443054.db2.gz QTDWDBLBWCXFKR-GFCCVEGCSA-N -1 0 394.836 3.413 20 30 GGEDRM O=C(C=Cc1cccc(-c2nn[n-]n2)c1)c1ccc(N2CCOCC2)cc1Cl ZINC000822929270 1429456845 /nfs/dbraw/zinc/45/68/45/1429456845.db2.gz ROKDIMOOTCHCOC-DAXSKMNVSA-N -1 0 395.850 3.253 20 30 GGEDRM CC(C)C[C@H](C#N)NC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735757122 1429472735 /nfs/dbraw/zinc/47/27/35/1429472735.db2.gz TWRCKZXWWOJDBV-GOSISDBHSA-N -1 0 375.436 3.278 20 30 GGEDRM N#CC1(c2ccc(C(=O)OCCCOc3cccc(-c4nn[n-]n4)c3)cc2)CC1 ZINC000826379764 1429506493 /nfs/dbraw/zinc/50/64/93/1429506493.db2.gz AQNSKLNJETZENO-UHFFFAOYSA-N -1 0 389.415 3.048 20 30 GGEDRM C=CCc1cc(C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc(OC)c1OC ZINC000819759231 1429524093 /nfs/dbraw/zinc/52/40/93/1429524093.db2.gz QHMZSOBWDYZJTQ-ZDUSSCGKSA-N -1 0 393.447 3.103 20 30 GGEDRM CCc1ccccc1-n1cnnc1SCC(=O)Nc1cc(C#N)ccc1[O-] ZINC000179730346 1429526381 /nfs/dbraw/zinc/52/63/81/1429526381.db2.gz GIZRPPSALFGBSV-UHFFFAOYSA-N -1 0 379.445 3.138 20 30 GGEDRM Cc1cccc(S(=O)(=O)[N-]c2cc(N(C)C)ccc2C#N)c1Br ZINC000152481054 1422115140 /nfs/dbraw/zinc/11/51/40/1422115140.db2.gz LOTFTPVZVXJKMC-UHFFFAOYSA-N -1 0 394.294 3.496 20 30 GGEDRM CC[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1cc(C#N)ccc1[O-] ZINC000179742635 1429532645 /nfs/dbraw/zinc/53/26/45/1429532645.db2.gz GIKXSQNQAWYUDA-IFXJQAMLSA-N -1 0 377.444 3.202 20 30 GGEDRM CCc1c(C(=O)Nc2cc(C#N)ccc2[O-])nnn1-c1ccc(OC(C)C)cc1 ZINC000179743000 1429532800 /nfs/dbraw/zinc/53/28/00/1429532800.db2.gz LNVZQBNGOUPXHT-UHFFFAOYSA-N -1 0 391.431 3.446 20 30 GGEDRM C#CCOc1cc(F)ccc1NC(=O)Cn1c(-c2cccs2)n[nH]c1=S ZINC000152552755 1422140725 /nfs/dbraw/zinc/14/07/25/1422140725.db2.gz NLHQEBDGIPWDDH-UHFFFAOYSA-N -1 0 388.449 3.459 20 30 GGEDRM CC(C)Oc1ccc([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)cc1C#N ZINC000152632975 1422180070 /nfs/dbraw/zinc/18/00/70/1422180070.db2.gz XRELKQMHQDGVMK-UHFFFAOYSA-N -1 0 377.372 3.296 20 30 GGEDRM Cc1cnn(-c2ccc(C)cc2[N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)c1 ZINC000152677900 1422204544 /nfs/dbraw/zinc/20/45/44/1422204544.db2.gz NWMKTHFSAIFNEZ-UHFFFAOYSA-N -1 0 388.399 3.440 20 30 GGEDRM COc1ccc(CCC(C)=NOCc2ccc(-c3nn[n-]n3)cc2OC)cc1 ZINC000826191528 1429540118 /nfs/dbraw/zinc/54/01/18/1429540118.db2.gz IXKSHBJHXMQSDC-UHFFFAOYSA-N -1 0 381.436 3.409 20 30 GGEDRM Cc1nc(Br)ccc1[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000179754265 1429540641 /nfs/dbraw/zinc/54/06/41/1429540641.db2.gz ZDHPYWJMUAQILQ-UHFFFAOYSA-N -1 0 386.658 3.478 20 30 GGEDRM Cc1nc(Br)ccc1[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000179754365 1429540688 /nfs/dbraw/zinc/54/06/88/1429540688.db2.gz RRGXMLQNJDNVCD-UHFFFAOYSA-N -1 0 388.193 3.103 20 30 GGEDRM COc1ccc(S(C)(=O)=O)cc1C([O-])=C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000153140858 1422369474 /nfs/dbraw/zinc/36/94/74/1422369474.db2.gz CWCKJJCJVMTQEJ-ZDUSSCGKSA-N -1 0 398.362 3.003 20 30 GGEDRM COc1ccc(Cl)cc1-c1cc([N-]S(=O)(=O)c2cccc(C#N)c2)n[nH]1 ZINC000153232607 1422406080 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3.359 20 30 GGEDRM CC(C)n1cc(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)c(C#N)c2)cn1 ZINC000157640668 1424055169 /nfs/dbraw/zinc/05/51/69/1424055169.db2.gz IXGGNISLASPELS-UHFFFAOYSA-N -1 0 388.371 3.078 20 30 GGEDRM N#Cc1cccc(OCCCCC(=O)OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737730142 1429695949 /nfs/dbraw/zinc/69/59/49/1429695949.db2.gz GRDSNYAIYUBGBU-UHFFFAOYSA-N -1 0 377.404 3.031 20 30 GGEDRM COc1cccc(CC(N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)C2CC2)c1 ZINC000826215095 1424090092 /nfs/dbraw/zinc/09/00/92/1424090092.db2.gz GMKFOJRZSGYMIX-UHFFFAOYSA-N -1 0 383.843 3.344 20 30 GGEDRM C=CCN(C(=O)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1)C1CC1 ZINC000823904009 1424100763 /nfs/dbraw/zinc/10/07/63/1424100763.db2.gz QYCBMQPGBWXEKR-UHFFFAOYSA-N -1 0 381.465 3.096 20 30 GGEDRM N#C[C@@H]1CCC[C@H]1NC(=O)c1ccccc1Sc1ccccc1-c1nn[n-]n1 ZINC000822806726 1429698491 /nfs/dbraw/zinc/69/84/91/1429698491.db2.gz SBOFAYOHVBFBNZ-XJKSGUPXSA-N -1 0 390.472 3.440 20 30 GGEDRM C#CCOc1ccc(F)cc1[N-]S(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2 ZINC000157995673 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Cc1nc(C([O-])=C(C#N)C(=O)Nc2ccccn2)nn1-c1ccccc1C(C)C ZINC000159847414 1424543588 /nfs/dbraw/zinc/54/35/88/1424543588.db2.gz PKGWLWCYMYEQMR-MRXNPFEDSA-N -1 0 388.431 3.055 20 30 GGEDRM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2cc([C@H](C)CCC)[nH]n2)c1 ZINC000159863676 1424544531 /nfs/dbraw/zinc/54/45/31/1424544531.db2.gz CQTGPFYIZXARMV-CYBMUJFWSA-N -1 0 376.482 3.030 20 30 GGEDRM N#Cc1ccc([O-])c(NC(=O)c2ccc(F)c(I)c2)c1 ZINC000159864050 1424544783 /nfs/dbraw/zinc/54/47/83/1424544783.db2.gz BFKPEKRTBYNFCL-UHFFFAOYSA-N -1 0 382.132 3.260 20 30 GGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccn(CC(F)(F)F)n2)cc1C(F)(F)F ZINC000160262135 1424591592 /nfs/dbraw/zinc/59/15/92/1424591592.db2.gz WIKLMASIBGBVBR-UHFFFAOYSA-N -1 0 398.288 3.137 20 30 GGEDRM CCN(C[C@H](C)C#N)C(=O)c1sccc1S(=O)(=O)[N-]c1ccc(C)cc1 ZINC000160408625 1424602245 /nfs/dbraw/zinc/60/22/45/1424602245.db2.gz DNBALOQVUXIXKZ-CQSZACIVSA-N -1 0 391.518 3.479 20 30 GGEDRM Cc1c(C)n(-c2ccccc2)c(NC(=O)c2sccc2-c2nnn[n-]2)c1C#N ZINC000826234485 1424608623 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20 30 GGEDRM N#CCc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1 ZINC000161589168 1424718858 /nfs/dbraw/zinc/71/88/58/1424718858.db2.gz AEONKRWTDDOQOS-UHFFFAOYSA-N -1 0 385.323 3.480 20 30 GGEDRM N#Cc1cc(Cl)ccc1N1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000737703868 1424733835 /nfs/dbraw/zinc/73/38/35/1424733835.db2.gz GCFKBKAOPSLPEO-UHFFFAOYSA-N -1 0 379.855 3.108 20 30 GGEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H](C)Cc1ccccc1F ZINC000735419220 1429755003 /nfs/dbraw/zinc/75/50/03/1429755003.db2.gz QIARMABEBUFJAJ-HNNXBMFYSA-N -1 0 379.439 3.399 20 30 GGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1cc(NC(C)=O)cc(C(F)(F)F)c1 ZINC000162301635 1424836005 /nfs/dbraw/zinc/83/60/05/1424836005.db2.gz IYQAVEXSIVVKEG-OAHLLOKOSA-N -1 0 383.370 3.293 20 30 GGEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000735419542 1424845849 /nfs/dbraw/zinc/84/58/49/1424845849.db2.gz UXKNKCWGLMRZOO-IAGOWNOFSA-N -1 0 395.413 3.463 20 30 GGEDRM CC(=NNc1nc(-c2ccccn2)nc2c1CCC2)c1cccc(-c2nnn[n-]2)c1 ZINC000735451272 1424865866 /nfs/dbraw/zinc/86/58/66/1424865866.db2.gz WLCVIWWPIPYNPN-UHFFFAOYSA-N -1 0 397.446 3.044 20 30 GGEDRM CCc1c(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cnn1-c1ccc(C)cc1 ZINC000736669290 1424872831 /nfs/dbraw/zinc/87/28/31/1424872831.db2.gz CIPOTGIHQGUFJA-UHFFFAOYSA-N -1 0 398.430 3.047 20 30 GGEDRM CC(=O)Nc1cc(C([O-])=C(C#N)C(=O)NC2CCCC2)cc(C(F)(F)F)c1 ZINC000162622810 1424873078 /nfs/dbraw/zinc/87/30/78/1424873078.db2.gz CYMLKBFYHYGFLG-HNNXBMFYSA-N -1 0 381.354 3.045 20 30 GGEDRM C=C(C)Cn1c(SCC(=O)[N-]OCCC(F)(F)F)nnc1-c1ccco1 ZINC000162694325 1424881895 /nfs/dbraw/zinc/88/18/95/1424881895.db2.gz KIOIONQHEHJVRI-UHFFFAOYSA-N -1 0 390.387 3.207 20 30 GGEDRM Cc1cc(C(=O)NCc2ccc(C#N)cc2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737236977 1424900310 /nfs/dbraw/zinc/90/03/10/1424900310.db2.gz XDFFDGRNUVPHKA-UHFFFAOYSA-N -1 0 397.442 3.076 20 30 GGEDRM C[C@H](NCc1ccc(C#N)cc1Br)c1ccc(-c2nn[n-]n2)cc1 ZINC000824611769 1424915243 /nfs/dbraw/zinc/91/52/43/1424915243.db2.gz DRJWBRGGLCOBIK-NSHDSACASA-N -1 0 383.253 3.352 20 30 GGEDRM C=CCOc1cccc(NC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000819759347 1424937978 /nfs/dbraw/zinc/93/79/78/1424937978.db2.gz UZYRGNZMDMLGTR-UHFFFAOYSA-N -1 0 379.420 3.228 20 30 GGEDRM N#Cc1ccc(F)c(CNc2c(-c3nn[n-]n3)cnc3c(F)ccc(Cl)c32)c1 ZINC000822829886 1424944596 /nfs/dbraw/zinc/94/45/96/1424944596.db2.gz NQITZEPAHQLWMW-UHFFFAOYSA-N -1 0 397.776 3.252 20 30 GGEDRM CSc1[n-]c(=O)c(C(=O)N[C@@H](c2ccc(F)cc2F)C(C)C)cc1C#N ZINC000163371057 1424986418 /nfs/dbraw/zinc/98/64/18/1424986418.db2.gz KIRVCKRKYYCZKT-OAHLLOKOSA-N -1 0 377.416 3.374 20 30 GGEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCc1c(C)cccc1F ZINC000819745470 1425032488 /nfs/dbraw/zinc/03/24/88/1425032488.db2.gz FHMVYYBFGLSZLH-UHFFFAOYSA-N -1 0 380.427 3.212 20 30 GGEDRM CC(C)Oc1ccc(NC(=O)N(C)Cc2cccc(C#N)c2)cc1-c1nn[n-]n1 ZINC000820165485 1425054728 /nfs/dbraw/zinc/05/47/28/1425054728.db2.gz QQKRRCJVACRSMM-UHFFFAOYSA-N -1 0 391.435 3.189 20 30 GGEDRM BrC(C=NNCc1ccc(-c2nn[n-]n2)cc1)=Cc1ccccc1 ZINC000819688391 1425087751 /nfs/dbraw/zinc/08/77/51/1425087751.db2.gz ICAUHAFDEYXJPK-VIBOYJNGSA-N -1 0 383.253 3.378 20 30 GGEDRM N#Cc1ccccc1Oc1ccc(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)cc1F ZINC000822842280 1429778813 /nfs/dbraw/zinc/77/88/13/1429778813.db2.gz ABBFJXXSMOOYEB-UHFFFAOYSA-N -1 0 389.350 3.250 20 30 GGEDRM COc1ccc(C=C2Cc3cc(Br)ccc3C2=O)cc1-c1nn[n-]n1 ZINC000826190995 1425142988 /nfs/dbraw/zinc/14/29/88/1425142988.db2.gz TZMJIBBWOHPMHV-SDQBBNPISA-N -1 0 397.232 3.460 20 30 GGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccnc2-c2ccccc2)c([N+](=O)[O-])c1 ZINC000164987845 1425155004 /nfs/dbraw/zinc/15/50/04/1425155004.db2.gz WOHSDXLXBKOAHY-UHFFFAOYSA-N -1 0 380.385 3.329 20 30 GGEDRM C[C@@H](CSCc1ccccc1)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000820291931 1425168513 /nfs/dbraw/zinc/16/85/13/1425168513.db2.gz AKNQKPZDSSVQOH-ZDUSSCGKSA-N -1 0 378.461 3.246 20 30 GGEDRM C=CCC[C@@H](NC(=O)COc1ccc(-c2nn[n-]n2)cc1OC)c1ccccc1 ZINC000819734222 1425175315 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CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000170703635 1425307872 /nfs/dbraw/zinc/30/78/72/1425307872.db2.gz DVLGMMHDRYYQFR-UHFFFAOYSA-N -1 0 384.465 3.077 20 30 GGEDRM N#CC(C(=O)Nc1ccccn1)=C([O-])c1csc(Cc2ccc(F)cc2)n1 ZINC000170709876 1425312078 /nfs/dbraw/zinc/31/20/78/1425312078.db2.gz PQBPGAQXQVEECV-CQSZACIVSA-N -1 0 380.404 3.229 20 30 GGEDRM Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000822541612 1425408554 /nfs/dbraw/zinc/40/85/54/1425408554.db2.gz OSLFHEPYALHGGC-UHFFFAOYSA-N -1 0 393.794 3.336 20 30 GGEDRM N#Cc1cccc(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)c1 ZINC000170960351 1425417615 /nfs/dbraw/zinc/41/76/15/1425417615.db2.gz FTWMQFUKZXGCSD-LSDHHAIUSA-N -1 0 395.267 3.474 20 30 GGEDRM COc1ccc2c(c1)C(=O)C(=Cc1cn(C)nc1-c1ccc(-c3nn[n-]n3)cc1)C2 ZINC000826212473 1425417746 /nfs/dbraw/zinc/41/77/46/1425417746.db2.gz RKQYALVZEOMLSH-YBEGLDIGSA-N -1 0 398.426 3.098 20 30 GGEDRM N#Cc1cccc(S(=O)(=O)[N-]C(=O)[C@H]2C[C@H]2c2ccc3ccccc3c2)c1 ZINC000170998820 1425430089 /nfs/dbraw/zinc/43/00/89/1425430089.db2.gz IZAUTPRNRZUZET-PMACEKPBSA-N -1 0 376.437 3.320 20 30 GGEDRM CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)Sc1ccc(-c2nn[n-]n2)cc1Cl ZINC000824754711 1425483046 /nfs/dbraw/zinc/48/30/46/1425483046.db2.gz JOWKMGCYPDQFBX-MGPLVRAMSA-N -1 0 378.889 3.055 20 30 GGEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)C[C@@H](C)NC(=O)C1CCCC1 ZINC000171104976 1425484846 /nfs/dbraw/zinc/48/48/46/1425484846.db2.gz KNMCBANCZQOZJG-CXAGYDPISA-N -1 0 379.460 3.453 20 30 GGEDRM N#CC(C(=O)Nc1ccccn1)=C([O-])c1cnc(Cc2ccc(F)cc2)s1 ZINC000171106044 1425485967 /nfs/dbraw/zinc/48/59/67/1425485967.db2.gz XAFHAYTVIIQAHQ-AWEZNQCLSA-N -1 0 380.404 3.229 20 30 GGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2nc(-c3cc(F)ccc3F)cs2)cn1 ZINC000171148745 1425508409 /nfs/dbraw/zinc/50/84/09/1425508409.db2.gz KKPASHBUINPJAL-UHFFFAOYSA-N -1 0 378.385 3.156 20 30 GGEDRM Cc1nc([N-]S(=O)(=O)c2ccc(C#N)nc2)sc1Cc1ccccc1F ZINC000171155621 1425513197 /nfs/dbraw/zinc/51/31/97/1425513197.db2.gz MUECHBSBOJEVOE-UHFFFAOYSA-N -1 0 388.449 3.249 20 30 GGEDRM CC(C)(C)c1cc([N-]S(=O)(=O)c2ccc(C#N)nc2)n(-c2ccc(F)cc2)n1 ZINC000171155161 1425513550 /nfs/dbraw/zinc/51/35/50/1425513550.db2.gz UZUXBPYXPBATKV-UHFFFAOYSA-N -1 0 399.451 3.376 20 30 GGEDRM N#Cc1ccsc1NC(=O)CSc1ccc(-c2nn[n-]n2)cc1Cl ZINC000826387896 1425526031 /nfs/dbraw/zinc/52/60/31/1425526031.db2.gz XMGBWTPQNRAZPX-UHFFFAOYSA-N -1 0 376.854 3.184 20 30 GGEDRM FC(F)Oc1ccccc1C=NOCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000822737456 1425526463 /nfs/dbraw/zinc/52/64/63/1425526463.db2.gz WCWFGJXZJTXYOQ-UHFFFAOYSA-N -1 0 389.362 3.288 20 30 GGEDRM C=CCOCCNC(=O)N[C@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000823925941 1425531407 /nfs/dbraw/zinc/53/14/07/1425531407.db2.gz RSALUGZHDXAJJO-OAHLLOKOSA-N -1 0 392.463 3.097 20 30 GGEDRM N#CC(C(=O)Nc1cc(Cl)cc(Cl)c1)=C([O-])c1ccc(C(N)=O)s1 ZINC000171266381 1425584332 /nfs/dbraw/zinc/58/43/32/1425584332.db2.gz FDGODBOPMFUTJE-SNVBAGLBSA-N -1 0 382.228 3.115 20 30 GGEDRM CC[C@H](C#N)Oc1cc(CNc2cccc(F)c2-c2nn[n-]n2)ccc1OC ZINC000736309863 1425584446 /nfs/dbraw/zinc/58/44/46/1425584446.db2.gz TVRIJYKOGHLJNG-CYBMUJFWSA-N -1 0 382.399 3.307 20 30 GGEDRM Cc1cc(C=NNCc2ccc(-c3nn[n-]n3)cc2)c(C)n1Cc1ccco1 ZINC000822198588 1425597388 /nfs/dbraw/zinc/59/73/88/1425597388.db2.gz BDBVVTKGFGICCX-UHFFFAOYSA-N -1 0 375.436 3.050 20 30 GGEDRM Fc1cc(NN=Cc2cccc(OCc3cccc(-c4nn[n-]n4)c3)c2)ccn1 ZINC000826372612 1425612101 /nfs/dbraw/zinc/61/21/01/1425612101.db2.gz FJHAZLMWYUTOAV-UHFFFAOYSA-N -1 0 389.394 3.426 20 30 GGEDRM Clc1ccc2c(c1)nccc2NN=Cc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000737573578 1425616547 /nfs/dbraw/zinc/61/65/47/1425616547.db2.gz MUHJCDMZBXOICZ-UHFFFAOYSA-N -1 0 389.810 3.162 20 30 GGEDRM CS(=O)(=O)Cc1ccc(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)o1 ZINC000171329825 1425620839 /nfs/dbraw/zinc/62/08/39/1425620839.db2.gz SOQRIKMMRJQLLM-LLVKDONJSA-N -1 0 393.371 3.059 20 30 GGEDRM Cc1cc(C#N)ccc1COC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000826257216 1425622652 /nfs/dbraw/zinc/62/26/52/1425622652.db2.gz SNTOGNNZOTXZKW-UHFFFAOYSA-N -1 0 391.431 3.339 20 30 GGEDRM Cc1c(C(=O)C=Cc2ccccc2-c2nn[n-]n2)nnn1-c1cccc(Cl)c1 ZINC000826234352 1425675995 /nfs/dbraw/zinc/67/59/95/1425675995.db2.gz RXHQGOCPLSGDNP-MDZDMXLPSA-N -1 0 391.822 3.305 20 30 GGEDRM Cc1c(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)nnn1-c1ccc(Cl)cc1 ZINC000822014862 1425691291 /nfs/dbraw/zinc/69/12/91/1425691291.db2.gz AIRNBGMFLYNFNM-VOTSOKGWSA-N -1 0 397.851 3.367 20 30 GGEDRM C=CCCCN(C)C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000735412970 1425705080 /nfs/dbraw/zinc/70/50/80/1425705080.db2.gz NOXVEJMVYZZBMR-UHFFFAOYSA-N -1 0 379.424 3.484 20 30 GGEDRM C=CCCOCCNC(=O)c1ccccc1Sc1ccccc1-c1nn[n-]n1 ZINC000823899210 1425735352 /nfs/dbraw/zinc/73/53/52/1425735352.db2.gz PUFYOFQVIAHFDQ-UHFFFAOYSA-N -1 0 395.488 3.340 20 30 GGEDRM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)N[C@@H]2CCC[C@H]2C#N)cc1 ZINC000822145306 1425757765 /nfs/dbraw/zinc/75/77/65/1425757765.db2.gz QFWGLTWHOUXDNB-FUHWJXTLSA-N -1 0 388.431 3.390 20 30 GGEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)c2cnc(-c3ccco3)s2)cc1Cl ZINC000171660294 1425778485 /nfs/dbraw/zinc/77/84/85/1425778485.db2.gz XYSFRDORZBDCBW-UHFFFAOYSA-N -1 0 393.833 3.047 20 30 GGEDRM CC(N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)c1ccccc1OC(F)F ZINC000823958802 1425796442 /nfs/dbraw/zinc/79/64/42/1425796442.db2.gz XHCZWCBKMNPDAJ-UHFFFAOYSA-N -1 0 379.758 3.353 20 30 GGEDRM COc1cc(C2(C(=O)[N-]S(=O)(=O)c3cccc(C#N)c3)CCCC2)ccc1C ZINC000171776492 1425817688 /nfs/dbraw/zinc/81/76/88/1425817688.db2.gz QTUCEBBVJQZVCF-UHFFFAOYSA-N -1 0 398.484 3.192 20 30 GGEDRM C[C@H](Sc1ccccc1-c1nn[n-]n1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000820678808 1425839818 /nfs/dbraw/zinc/83/98/18/1425839818.db2.gz YOMSPHUXEXACQY-BIWSTMPVSA-N -1 0 384.509 3.278 20 30 GGEDRM CC(C)NC(=O)Nc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000820138340 1425854959 /nfs/dbraw/zinc/85/49/59/1425854959.db2.gz VERVLETTYHYSPO-JXMROGBWSA-N -1 0 394.410 3.432 20 30 GGEDRM N#CC(=C([O-])c1nccc2ccccc21)c1nc(N)nc(Nc2ccccc2)n1 ZINC000172020028 1425875843 /nfs/dbraw/zinc/87/58/43/1425875843.db2.gz OCIMWCHHWKLSFB-MRXNPFEDSA-N -1 0 381.399 3.236 20 30 GGEDRM C=C(C)COc1cccc(NC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)c1 ZINC000819722794 1425884688 /nfs/dbraw/zinc/88/46/88/1425884688.db2.gz QWJCVZQBVUAKOV-UHFFFAOYSA-N -1 0 382.399 3.282 20 30 GGEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C=CSCc1ccco1 ZINC000819744111 1425918328 /nfs/dbraw/zinc/91/83/28/1425918328.db2.gz WVGJAOWTXZDLAF-DHZHZOJOSA-N -1 0 381.461 3.421 20 30 GGEDRM CC(C)S(=O)(=O)[N-]C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 ZINC000172150932 1425922449 /nfs/dbraw/zinc/92/24/49/1425922449.db2.gz WPOQFNJURSKTEG-UHFFFAOYSA-N -1 0 378.837 3.472 20 30 GGEDRM COc1ccc(C(=O)C=Cc2cn(C)nc2-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826187535 1425933603 /nfs/dbraw/zinc/93/36/03/1425933603.db2.gz VIVXJRCYKGNXTI-XFXZXTDPSA-N -1 0 386.415 3.172 20 30 GGEDRM Cc1cc(S(=O)(=O)[N-]c2cc(C#N)ccc2OC(C)C)ccc1[N+](=O)[O-] ZINC000172183279 1425937143 /nfs/dbraw/zinc/93/71/43/1425937143.db2.gz JIGKMYNLFQDXTH-UHFFFAOYSA-N -1 0 375.406 3.363 20 30 GGEDRM C=CCNC(=O)Nc1ccc([N-]S(=O)(=O)c2cccc3cccnc32)cc1 ZINC000172197618 1425941807 /nfs/dbraw/zinc/94/18/07/1425941807.db2.gz CPHPLOBMLSPDQY-UHFFFAOYSA-N -1 0 382.445 3.343 20 30 GGEDRM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1nc(-c2ccc(C#N)cc2)cs1 ZINC000826250676 1425942355 /nfs/dbraw/zinc/94/23/55/1425942355.db2.gz MHELEMZSDALYQP-UHFFFAOYSA-N -1 0 387.428 3.423 20 30 GGEDRM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)c1cc(C#N)cs1 ZINC000821390254 1425969836 /nfs/dbraw/zinc/96/98/36/1425969836.db2.gz VUTYGALGELQVAO-UHFFFAOYSA-N -1 0 375.797 3.071 20 30 GGEDRM COc1cc(-c2nn[n-]n2)ccc1Oc1ccc(NC(=O)N(C)CCC#N)cc1 ZINC000821703101 1425991365 /nfs/dbraw/zinc/99/13/65/1425991365.db2.gz OQUKZWWWZJMIGJ-UHFFFAOYSA-N -1 0 393.407 3.045 20 30 GGEDRM N#Cc1ccc(NC(=O)c2ccc(F)cc2C(F)(F)F)cc1-c1nn[n-]n1 ZINC000822829787 1426041147 /nfs/dbraw/zinc/04/11/47/1426041147.db2.gz IYWFQPPMYVVLNB-UHFFFAOYSA-N -1 0 376.273 3.149 20 30 GGEDRM Cc1c(C(=O)C=Cc2cnn(C(C)C)c2)cnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737202553 1426060337 /nfs/dbraw/zinc/06/03/37/1426060337.db2.gz NMUCVCVJCYMUIS-RUDMXATFSA-N -1 0 388.435 3.034 20 30 GGEDRM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000825608678 1426075722 /nfs/dbraw/zinc/07/57/22/1426075722.db2.gz BSJGKKGZBWCMJA-UHFFFAOYSA-N -1 0 375.388 3.040 20 30 GGEDRM C[C@H](OC(=O)[C@H]1CCCN1c1ccc(-c2nnn[n-]2)cc1)c1ccc(C#N)cc1 ZINC000820486607 1426087287 /nfs/dbraw/zinc/08/72/87/1426087287.db2.gz BXYWSINCZVWDBX-IFXJQAMLSA-N -1 0 388.431 3.012 20 30 GGEDRM CNC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)c1 ZINC000172559445 1426087530 /nfs/dbraw/zinc/08/75/30/1426087530.db2.gz PCNOBJSQNSHLIT-UHFFFAOYSA-N -1 0 398.366 3.129 20 30 GGEDRM N#Cc1cc(C(F)(F)F)ccc1C(=O)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000822818604 1426130661 /nfs/dbraw/zinc/13/06/61/1426130661.db2.gz DHYJRQIQNQURID-UHFFFAOYSA-N -1 0 391.284 3.253 20 30 GGEDRM C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000172660385 1426132596 /nfs/dbraw/zinc/13/25/96/1426132596.db2.gz RFJSLSJCCAIWND-GFCCVEGCSA-N -1 0 396.390 3.261 20 30 GGEDRM CC(=O)Nc1ccc2nc([N-]S(=O)(=O)c3ccc(C#N)cc3C)sc2c1 ZINC000172674918 1426138307 /nfs/dbraw/zinc/13/83/07/1426138307.db2.gz PASUIUPTXSWLDZ-UHFFFAOYSA-N -1 0 386.458 3.236 20 30 GGEDRM Cc1ccc(-c2nc(C=NNCc3ccc(-c4nn[n-]n4)cc3)cs2)cc1 ZINC000822214187 1426171958 /nfs/dbraw/zinc/17/19/58/1426171958.db2.gz SVQCRNJMPZCHPM-UHFFFAOYSA-N -1 0 375.461 3.422 20 30 GGEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCCCc1cccs1 ZINC000823909348 1426217772 /nfs/dbraw/zinc/21/77/72/1426217772.db2.gz ADSMAKJORKPJAW-UHFFFAOYSA-N -1 0 382.493 3.259 20 30 GGEDRM N#Cc1cccc(CNc2ccn(-c3ccc(-c4nnn[n-]4)cc3Cl)n2)c1F ZINC000826386855 1426255851 /nfs/dbraw/zinc/25/58/51/1426255851.db2.gz VMCWLBARDLDWDM-UHFFFAOYSA-N -1 0 394.801 3.329 20 30 GGEDRM C#CCCCNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000172937922 1426273949 /nfs/dbraw/zinc/27/39/49/1426273949.db2.gz GVAJCAXPEDJOJC-UHFFFAOYSA-N -1 0 376.865 3.284 20 30 GGEDRM C#CCCCNC(=O)c1ccc2c(c1)[n-]c(=S)n(CCc1ccccc1)c2=O ZINC000172941979 1426277185 /nfs/dbraw/zinc/27/71/85/1426277185.db2.gz ORCZDXLOSHPDHY-UHFFFAOYSA-N -1 0 391.496 3.071 20 30 GGEDRM C[C@@H]1CCC[C@](C#N)(NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)C1 ZINC000736244724 1426297221 /nfs/dbraw/zinc/29/72/21/1426297221.db2.gz MKWBLJNGFKCDDK-QRWLVFNGSA-N -1 0 382.468 3.004 20 30 GGEDRM C=CCn1c(=O)c2ccc(C(=O)NCc3ncc(CC)s3)cc2[n-]c1=S ZINC000173045288 1426321429 /nfs/dbraw/zinc/32/14/29/1426321429.db2.gz HAMLDGKNKCEUGF-UHFFFAOYSA-N -1 0 386.502 3.194 20 30 GGEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C[C@H](O)c1ccc(Cl)cc1 ZINC000823909861 1426334975 /nfs/dbraw/zinc/33/49/75/1426334975.db2.gz SFLWOMZGUZEQGW-SFHVURJKSA-N -1 0 397.866 3.158 20 30 GGEDRM N#Cc1c(Cl)cccc1S[C@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826382999 1426392745 /nfs/dbraw/zinc/39/27/45/1426392745.db2.gz FKROXALBPZRWMG-INIZCTEOSA-N -1 0 396.863 3.289 20 30 GGEDRM N#C[C@H](NC(=O)c1cc(-c2nn[n-]n2)cs1)c1ccc(Cl)c(Cl)c1 ZINC000822801791 1426412269 /nfs/dbraw/zinc/41/22/69/1426412269.db2.gz OOZYUJJHWRMYHA-NSHDSACASA-N -1 0 379.232 3.230 20 30 GGEDRM O=C(C=Cc1cc(O)ccc1Br)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826400228 1426418023 /nfs/dbraw/zinc/41/80/23/1426418023.db2.gz SNSYOIYQEZOVGQ-QHHAFSJGSA-N -1 0 389.184 3.370 20 30 GGEDRM O=C(C=Cc1ccc(Oc2cnccn2)cc1)c1ccc(-c2nnn[n-]2)s1 ZINC000826401358 1426433532 /nfs/dbraw/zinc/43/35/32/1426433532.db2.gz WMTJSBHGNGFLDL-UTCJRWHESA-N -1 0 376.401 3.407 20 30 GGEDRM COc1ccc(NN=C(C)c2cnn(-c3ccc(-c4nn[n-]n4)cc3)c2C)cc1 ZINC000826210570 1426437873 /nfs/dbraw/zinc/43/78/73/1426437873.db2.gz WUWFECIZVVYRFJ-UHFFFAOYSA-N -1 0 388.435 3.206 20 30 GGEDRM C=CCC(CC=C)C(=O)OCCOc1c(-c2nn[n-]n2)cnc2ccccc21 ZINC000819734140 1426444519 /nfs/dbraw/zinc/44/45/19/1426444519.db2.gz JBIVQFLXEAWXGY-UHFFFAOYSA-N -1 0 379.420 3.105 20 30 GGEDRM N#Cc1ccc(Cl)cc1N1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000737719497 1426457772 /nfs/dbraw/zinc/45/77/72/1426457772.db2.gz VIPQPHBRRWVWIH-UHFFFAOYSA-N -1 0 379.855 3.108 20 30 GGEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Cc1c[nH]c2c1cccc2C ZINC000735421437 1426468490 /nfs/dbraw/zinc/46/84/90/1426468490.db2.gz ZYPSUBRJXHZNRF-UHFFFAOYSA-N -1 0 386.459 3.414 20 30 GGEDRM N#CCCN(C(=O)CSc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1 ZINC000737685185 1426483055 /nfs/dbraw/zinc/48/30/55/1426483055.db2.gz ARSXREMUUQKHPM-UHFFFAOYSA-N -1 0 382.424 3.045 20 30 GGEDRM COc1ccc(CCC(C)=NOCc2ccc(OC)c(-c3nn[n-]n3)c2)cc1 ZINC000826191940 1426516976 /nfs/dbraw/zinc/51/69/76/1426516976.db2.gz VBTJILWXPAJXBA-UHFFFAOYSA-N -1 0 381.436 3.409 20 30 GGEDRM COc1ccc(C=CC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1-c1nn[n-]n1 ZINC000826191131 1426521430 /nfs/dbraw/zinc/52/14/30/1426521430.db2.gz XWDNWBOIGRMIIW-QHHAFSJGSA-N -1 0 385.767 3.333 20 30 GGEDRM N#C[C@@H](NC(=O)Cc1ccc(-c2nn[n-]n2)cc1)c1c(Cl)cccc1Cl ZINC000737674263 1426531689 /nfs/dbraw/zinc/53/16/89/1426531689.db2.gz HVIMQQJYFNBFQT-CQSZACIVSA-N -1 0 387.230 3.097 20 30 GGEDRM C#CCOc1cc(F)ccc1NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000819701387 1426540226 /nfs/dbraw/zinc/54/02/26/1426540226.db2.gz FIAKKDBGSGSUHL-UHFFFAOYSA-N -1 0 386.774 3.315 20 30 GGEDRM COc1cc(-c2nn[n-]n2)ccc1OCC#Cc1ccc(OC(F)(F)F)cc1 ZINC000821700712 1426577317 /nfs/dbraw/zinc/57/73/17/1426577317.db2.gz VNKLDWIBMNWXDC-UHFFFAOYSA-N -1 0 390.321 3.204 20 30 GGEDRM COc1ccc(CCC(C)=NOCCOc2ccccc2-c2nn[n-]n2)cc1 ZINC000826191922 1426588685 /nfs/dbraw/zinc/58/86/85/1426588685.db2.gz UQZCWJCLHBNMNZ-UHFFFAOYSA-N -1 0 381.436 3.279 20 30 GGEDRM CC(C[C@H]1CCCN1C(=O)OC(C)(C)C)=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000820234788 1426591017 /nfs/dbraw/zinc/59/10/17/1426591017.db2.gz PLGWGVBHZUTICD-QGZVFWFLSA-N -1 0 399.499 3.122 20 30 GGEDRM N#Cc1c(F)cccc1NC1CCC(Oc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000826383205 1426599803 /nfs/dbraw/zinc/59/98/03/1426599803.db2.gz OXOQLQJFXVIRGC-UHFFFAOYSA-N -1 0 379.399 3.075 20 30 GGEDRM Cc1c(C(=O)C=Cc2ccc(C#N)cc2)cnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737202586 1426623505 /nfs/dbraw/zinc/62/35/05/1426623505.db2.gz NTNONVKPPWGSAJ-IZZDOVSWSA-N -1 0 381.399 3.129 20 30 GGEDRM N#Cc1cc(Cl)ccc1-n1ccc(NCc2cc(-c3nnn[n-]3)cs2)n1 ZINC000826383866 1426642980 /nfs/dbraw/zinc/64/29/80/1426642980.db2.gz VAXMHKIXTFUZRV-UHFFFAOYSA-N -1 0 382.840 3.251 20 30 GGEDRM Cc1c(C(=O)C=Cc2ccc(C)c([N+](=O)[O-])c2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737328470 1426687898 /nfs/dbraw/zinc/68/78/98/1426687898.db2.gz DAKJPHMFTWWENY-FPLPWBNLSA-N -1 0 378.392 3.036 20 30 GGEDRM COc1ccc(CSCCCOc2ccc(-c3nn[n-]n3)cc2)cc1C#N ZINC000826207763 1426705066 /nfs/dbraw/zinc/70/50/66/1426705066.db2.gz CDOVSUGQVWXRFP-UHFFFAOYSA-N -1 0 381.461 3.449 20 30 GGEDRM C=C1CCN([C@@H](C)C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCC3)CC1 ZINC000735402508 1426744926 /nfs/dbraw/zinc/74/49/26/1426744926.db2.gz CXASTMYJLACAPS-ZDUSSCGKSA-N -1 0 386.525 3.176 20 30 GGEDRM CSCCCC(=O)[C@@H](C#N)c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000737180129 1426800274 /nfs/dbraw/zinc/80/02/74/1426800274.db2.gz BZQQBFBTHHLANA-CYBMUJFWSA-N -1 0 384.490 3.310 20 30 GGEDRM Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826272204 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395.484 3.357 20 30 GGEDRM CCn1ncc(C#N)c1[N-]S(=O)(=O)c1cc(Cl)ccc1OCCC1CC1 ZINC000187764124 1431809742 /nfs/dbraw/zinc/80/97/42/1431809742.db2.gz OQRHIGSBUZFJDY-UHFFFAOYSA-N -1 0 394.884 3.408 20 30 GGEDRM C[C@@H](C#N)Oc1ccccc1[N-]S(=O)(=O)c1cnc(-c2ccccc2)nc1 ZINC000188496149 1431889173 /nfs/dbraw/zinc/88/91/73/1431889173.db2.gz XNRLBCHTFUUHEV-AWEZNQCLSA-N -1 0 380.429 3.235 20 30 GGEDRM CCOc1cnc(C([O-])=C(C#N)c2nc(-c3ccc(OC)cc3)cs2)cn1 ZINC000188761018 1431962678 /nfs/dbraw/zinc/96/26/78/1431962678.db2.gz KKEIXGSWFVGVLI-AWEZNQCLSA-N -1 0 380.429 3.497 20 30 GGEDRM CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000189268765 1432075208 /nfs/dbraw/zinc/07/52/08/1432075208.db2.gz QOGCPBCHYDJGDO-UHFFFAOYSA-N -1 0 375.406 3.283 20 30 GGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2OCC2CC2)c([N+](=O)[O-])c1 ZINC000189476231 1432126428 /nfs/dbraw/zinc/12/64/28/1432126428.db2.gz MCXVNYCDRNAVOO-UHFFFAOYSA-N -1 0 391.380 3.195 20 30 GGEDRM C[C@@H]1CN(c2ccc(C([O-])=C(C#N)c3cnc4ccccc4n3)cn2)C[C@@H](C)O1 ZINC000190884339 1432518825 /nfs/dbraw/zinc/51/88/25/1432518825.db2.gz SNTWKQYZTNCLKC-INMHGKMJSA-N -1 0 387.443 3.128 20 30 GGEDRM N#CC(=C([O-])c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)c1cnc2ccccc2n1 ZINC000190904573 1432525798 /nfs/dbraw/zinc/52/57/98/1432525798.db2.gz HRSRKWUGIRQMQE-HNNXBMFYSA-N -1 0 384.355 3.214 20 30 GGEDRM N#CC(=C([O-])c1ccn(-c2ccccc2[N+](=O)[O-])n1)c1cnc2ccccc2n1 ZINC000190945825 1432535561 /nfs/dbraw/zinc/53/55/61/1432535561.db2.gz ZMTDWDNVNKEZAK-CYBMUJFWSA-N -1 0 384.355 3.214 20 30 GGEDRM COc1ccc(-n2nnc(C([O-])=C(C#N)c3cnc4ccccc4n3)c2C)cc1 ZINC000190979038 1432542398 /nfs/dbraw/zinc/54/23/98/1432542398.db2.gz FILUVIJUAILGCB-INIZCTEOSA-N -1 0 384.399 3.018 20 30 GGEDRM C=CCn1c(=O)c2ccc(C(=O)Nc3ccc(O)cc3CC)cc2[n-]c1=S ZINC000191099160 1432567585 /nfs/dbraw/zinc/56/75/85/1432567585.db2.gz ARKWANMROMFWLM-UHFFFAOYSA-N -1 0 381.457 3.392 20 30 GGEDRM C=CCN(CC(=O)[O-])C(=O)c1ccc(-c2nnc(-c3ccc(C)cc3)o2)cc1 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381.476 3.189 20 30 GGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1cnc2c(cnn2Cc2ccccc2)c1 ZINC000193375698 1432987378 /nfs/dbraw/zinc/98/73/78/1432987378.db2.gz LWKVIDDNPFFWKC-IBGZPJMESA-N -1 0 389.459 3.108 20 30 GGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1nn(-c2ccc(C)cc2)c2c1CCC2 ZINC000193380815 1432988273 /nfs/dbraw/zinc/98/82/73/1432988273.db2.gz HPWNBKJEQUHJKG-GOSISDBHSA-N -1 0 378.476 3.298 20 30 GGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc(CNC(=O)c2cccs2)cc1 ZINC000193380959 1432988290 /nfs/dbraw/zinc/98/82/90/1432988290.db2.gz YSAQRFFVPIXBFW-KRWDZBQOSA-N -1 0 397.500 3.307 20 30 GGEDRM N#CC(C(=O)NCc1ccccc1)=C([O-])c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000193406425 1432992750 /nfs/dbraw/zinc/99/27/50/1432992750.db2.gz GNFRCVLJMCWDOJ-HNNXBMFYSA-N -1 0 379.397 3.448 20 30 GGEDRM Cc1nn(-c2ccc(Cl)cc2)c(C)c1C=CC([O-])=C1C(=O)C=C(C)OC1=O ZINC000193443176 1433000025 /nfs/dbraw/zinc/00/00/25/1433000025.db2.gz RCARLNLRTLNWMS-SGQUHAKNSA-N -1 0 384.819 3.371 20 30 GGEDRM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1cc(-c2ccc(C)o2)[nH]n1 ZINC000193458449 1433002525 /nfs/dbraw/zinc/00/25/25/1433002525.db2.gz OMJNGIGIGFLAIJ-CYBMUJFWSA-N -1 0 378.388 3.338 20 30 GGEDRM Cc1oc(C([O-])=C(C#N)c2nc3ccccc3o2)cc1S(=O)(=O)N1CCCC1 ZINC000193537968 1433016565 /nfs/dbraw/zinc/01/65/65/1433016565.db2.gz MPMIMASOLAULGJ-ZDUSSCGKSA-N -1 0 399.428 3.004 20 30 GGEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)CCN1C(=O)c2ccccc2C1=O ZINC000193599709 1433026529 /nfs/dbraw/zinc/02/65/29/1433026529.db2.gz OAHORFKPAXPGAM-KRWDZBQOSA-N -1 0 399.406 3.054 20 30 GGEDRM Cc1c(C([O-])=C(C#N)c2nc3ccccc3o2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000193621602 1433029940 /nfs/dbraw/zinc/02/99/40/1433029940.db2.gz KMXAOGIRSTULHT-AWEZNQCLSA-N -1 0 388.343 3.115 20 30 GGEDRM N#CCCN(Cc1cccnc1)C(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000193930342 1433087191 /nfs/dbraw/zinc/08/71/91/1433087191.db2.gz MIRKKVBZWOLKSB-UHFFFAOYSA-N -1 0 381.823 3.182 20 30 GGEDRM C=CCn1c(=O)c2ccc(C(=O)N3CCOc4cc(C)ccc43)cc2[n-]c1=S ZINC000194198181 1433136816 /nfs/dbraw/zinc/13/68/16/1433136816.db2.gz WHYKHRDMRVNUBX-UHFFFAOYSA-N -1 0 393.468 3.219 20 30 GGEDRM C=CCn1c(=O)c2ccc(C(=O)N3Cc4ccccc4C[C@@H]3C)cc2[n-]c1=S ZINC000194198306 1433136914 /nfs/dbraw/zinc/13/69/14/1433136914.db2.gz ZHNYIFIGNKZIRC-AWEZNQCLSA-N -1 0 391.496 3.458 20 30 GGEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)c2cc3ccccc3o2)c(C(F)(F)F)c1 ZINC000194277416 1433154098 /nfs/dbraw/zinc/15/40/98/1433154098.db2.gz GMFLDFZNWIMIBB-UHFFFAOYSA-N -1 0 394.330 3.442 20 30 GGEDRM C=C(C)[C@H](NC(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C)c1ccc(F)c(F)c1 ZINC000194509441 1433190025 /nfs/dbraw/zinc/19/00/25/1433190025.db2.gz YZHBDTMJUHVPEX-KBPBESRZSA-N -1 0 378.341 3.401 20 30 GGEDRM Cc1c(C(=O)/C=C/c2cccc(OCCC(=O)[O-])c2)nnn1-c1ccc(F)cc1 ZINC000194596449 1433203247 /nfs/dbraw/zinc/20/32/47/1433203247.db2.gz HOQMGBCZRWNUFG-BJMVGYQFSA-N -1 0 395.390 3.464 20 30 GGEDRM N#CC(C(=O)NCc1ccccc1)=C([O-])c1ccc(OCc2ccccc2)nc1 ZINC000194680101 1433214585 /nfs/dbraw/zinc/21/45/85/1433214585.db2.gz YEKVDOQNZYVSLY-HXUWFJFHSA-N -1 0 385.423 3.299 20 30 GGEDRM N#CCCCOc1cccc([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c1 ZINC000194724050 1433220159 /nfs/dbraw/zinc/22/01/59/1433220159.db2.gz JBDXVWISLMHUHT-UHFFFAOYSA-N -1 0 379.369 3.217 20 30 GGEDRM CCCCCCCS(=O)(=O)[N-]c1nc(CN2C[C@H](C)O[C@@H](C)C2)cs1 ZINC000194788235 1433232487 /nfs/dbraw/zinc/23/24/87/1433232487.db2.gz AXEDYGVWZFEPCU-GJZGRUSLSA-N -1 0 389.587 3.464 20 30 GGEDRM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]c1nnc(CCc2ccccc2)o1 ZINC000194847873 1433247855 /nfs/dbraw/zinc/24/78/55/1433247855.db2.gz MGSZDVREZIODAI-UHFFFAOYSA-N -1 0 388.836 3.181 20 30 GGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cnn(-c2ccccc2OC)c1C ZINC000194883604 1433256606 /nfs/dbraw/zinc/25/66/06/1433256606.db2.gz HKCMXVGBCOWANE-MRXNPFEDSA-N -1 0 382.464 3.208 20 30 GGEDRM Cc1nn(C)c2ncc(/C=C/C(=O)c3ccc(OCCCC(=O)[O-])cc3)cc12 ZINC000195173603 1433302962 /nfs/dbraw/zinc/30/29/62/1433302962.db2.gz LHYVHYVCYKXYRL-BJMVGYQFSA-N -1 0 379.416 3.416 20 30 GGEDRM CCS(=O)(=O)c1ccc(C([O-])=C(C#N)C(=O)c2c(C)[nH]c3ccccc32)cc1 ZINC000195285429 1433315047 /nfs/dbraw/zinc/31/50/47/1433315047.db2.gz AMMFKLQHHWBLOB-KRWDZBQOSA-N -1 0 394.452 3.475 20 30 GGEDRM Cc1ccc(NC(=O)c2ccccc2)cc1[N-]S(=O)(=O)c1ccc(C#N)nc1 ZINC000195443409 1433330215 /nfs/dbraw/zinc/33/02/15/1433330215.db2.gz NSGXWERYNVTRND-UHFFFAOYSA-N -1 0 392.440 3.315 20 30 GGEDRM CN(C(=O)c1ccc([N-]S(=O)(=O)c2ccc(C#N)nc2)cc1)C1CCCCC1 ZINC000195445432 1433330266 /nfs/dbraw/zinc/33/02/66/1433330266.db2.gz JWZHEKNWTFAGHJ-UHFFFAOYSA-N -1 0 398.488 3.159 20 30 GGEDRM CN(C(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C#N)nc1)C1CCCCC1 ZINC000195444968 1433330294 /nfs/dbraw/zinc/33/02/94/1433330294.db2.gz QCNAGVQUIMACTH-UHFFFAOYSA-N -1 0 398.488 3.159 20 30 GGEDRM C=CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)nc2Cl)cc1 ZINC000195444932 1433330426 /nfs/dbraw/zinc/33/04/26/1433330426.db2.gz BQRRBHILTRTWFC-UHFFFAOYSA-N -1 0 386.260 3.105 20 30 GGEDRM CCCN(CCC)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(C#N)nc2)cc1 ZINC000195443993 1433330492 /nfs/dbraw/zinc/33/04/92/1433330492.db2.gz CGTGXYYSVNYHQH-UHFFFAOYSA-N -1 0 386.477 3.016 20 30 GGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(OCc3ccccc3F)cc2)cn1 ZINC000195447083 1433330601 /nfs/dbraw/zinc/33/06/01/1433330601.db2.gz PPDBRLOFEJOWRN-UHFFFAOYSA-N -1 0 383.404 3.472 20 30 GGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccccc3)cc2)cn1 ZINC000195446639 1433330662 /nfs/dbraw/zinc/33/06/62/1433330662.db2.gz BNSKWYDVIODTNO-UHFFFAOYSA-N -1 0 378.413 3.006 20 30 GGEDRM N#Cc1cccc(CS(=O)(=O)[N-]C(=O)c2cc(Cl)sc2Cl)c1 ZINC000195496568 1433336903 /nfs/dbraw/zinc/33/69/03/1433336903.db2.gz FYBZYEGZEXTDTE-UHFFFAOYSA-N -1 0 375.258 3.186 20 30 GGEDRM N#Cc1cccc(CS(=O)(=O)[N-]C(=O)CCSc2ccc(Cl)cc2)c1 ZINC000195495880 1433336907 /nfs/dbraw/zinc/33/69/07/1433336907.db2.gz HXIYCBZPORGUBL-UHFFFAOYSA-N -1 0 394.905 3.340 20 30 GGEDRM C=CCNC(=O)c1ccc([N-]S(=O)(=O)c2cccc3c2OC(C)(C)C3)cc1 ZINC000195504446 1433337522 /nfs/dbraw/zinc/33/75/22/1433337522.db2.gz BJLMNQAQVLAPMO-UHFFFAOYSA-N -1 0 386.473 3.117 20 30 GGEDRM COCCNC(=O)C(C#N)=C([O-])c1cc(C)n(-c2cccc(C(C)C)c2)c1C ZINC000195659471 1433343814 /nfs/dbraw/zinc/34/38/14/1433343814.db2.gz JEXYLTIATOPFPT-FQEVSTJZSA-N -1 0 381.476 3.303 20 30 GGEDRM COc1ccc(C=CC(=O)[N-]S(=O)(=O)c2cccc(C(C)=O)c2)cc1OC ZINC000207727353 1433354965 /nfs/dbraw/zinc/35/49/65/1433354965.db2.gz UXHJAYJJUKOLFB-NTMALXAHSA-N -1 0 389.429 3.265 20 30 GGEDRM N#Cc1ccccc1CSCCNC(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000216184082 1433362979 /nfs/dbraw/zinc/36/29/79/1433362979.db2.gz HNWSTWQRAHKFHG-UHFFFAOYSA-N -1 0 378.457 3.113 20 30 GGEDRM C[C@@H]1C[C@@H](C)CN(c2ccc(C([O-])=C(C#N)C(=O)N3CCCC3)cc2[N+](=O)[O-])C1 ZINC000246432656 1433612292 /nfs/dbraw/zinc/61/22/92/1433612292.db2.gz NAVVMLVLQRGFMJ-INMHGKMJSA-N -1 0 398.463 3.022 20 30 GGEDRM C[C@H]1Cc2cc(C([O-])=C(C#N)c3nc4ccccc4o3)ccc2N1S(C)(=O)=O ZINC000248748535 1433819702 /nfs/dbraw/zinc/81/97/02/1433819702.db2.gz FTLPWWLTSDFVGC-WFASDCNBSA-N -1 0 395.440 3.028 20 30 GGEDRM O=[N+]([O-])c1cc(Cl)cc(/C=N\C[C@@H](c2ccccc2)N2CCOCC2)c1[O-] ZINC000254916246 1433872398 /nfs/dbraw/zinc/87/23/98/1433872398.db2.gz MVNNTJNAEKVHHR-UMUMUWHJSA-N -1 0 389.839 3.446 20 30 GGEDRM O=C1[C@@H](/N=C\c2cc(Cl)cc([N+](=O)[O-])c2[O-])CCN1c1c(F)cccc1F ZINC000255365807 1433881286 /nfs/dbraw/zinc/88/12/86/1433881286.db2.gz LAGWGUFACFBPPR-RSZRJMOXSA-N -1 0 395.749 3.456 20 30 GGEDRM C=CCOc1ccc(C=CC(=O)Nc2ccc(-c3nc(=O)o[n-]3)cc2)cc1OC ZINC000255496287 1433883490 /nfs/dbraw/zinc/88/34/90/1433883490.db2.gz ZLIWSOBSISTIOL-WZUFQYTHSA-N -1 0 393.399 3.255 20 30 GGEDRM N#Cc1ccccc1/C=C\C(=O)[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000255532645 1433884427 /nfs/dbraw/zinc/88/44/27/1433884427.db2.gz NPHAPVHCKHGCRY-KTKRTIGZSA-N -1 0 380.347 3.095 20 30 GGEDRM Cc1ccc(/C=C\C(=O)c2ccc([O-])c(CN3CCOCC3)c2)cc1[N+](=O)[O-] ZINC000255553771 1433885069 /nfs/dbraw/zinc/88/50/69/1433885069.db2.gz ABWBHGYDMTXOEW-XQRVVYSFSA-N -1 0 382.416 3.337 20 30 GGEDRM Cc1ccc(N=Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1S(=O)(=O)N(C)C ZINC000255690826 1433887867 /nfs/dbraw/zinc/88/78/67/1433887867.db2.gz QPLORTXRAFFQQG-UHFFFAOYSA-N -1 0 397.840 3.263 20 30 GGEDRM CC1=CC(=O)C(=C([O-])C=Cc2cn(-c3ccccc3)nc2-c2ccncc2)C(=O)O1 ZINC000255684436 1433887921 /nfs/dbraw/zinc/88/79/21/1433887921.db2.gz HYBOIXDDKKYXEI-NJRZHNRPSA-N -1 0 399.406 3.163 20 30 GGEDRM C[C@H](C#N)Oc1ccc(/C=C\C(=O)c2ccc([O-])c(CN3CCOCC3)c2)cc1 ZINC000255728835 1433888845 /nfs/dbraw/zinc/88/88/45/1433888845.db2.gz XYDFHVLEVMVERT-RLXIPRIJSA-N -1 0 392.455 3.411 20 30 GGEDRM C=CCc1ccc(OCC(=O)N[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])c(OC)c1 ZINC000262457630 1433939868 /nfs/dbraw/zinc/93/98/68/1433939868.db2.gz HYKXSACESMOIPC-VFNWGFHPSA-N -1 0 383.444 3.381 20 30 GGEDRM C=CCc1cc(C(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])cc(OC)c1OC ZINC000262464995 1433940176 /nfs/dbraw/zinc/94/01/76/1433940176.db2.gz YSEWRKWDQUACMS-SFHVURJKSA-N -1 0 381.428 3.084 20 30 GGEDRM C=CCN(Cc1cccs1)C(=O)c1ccc(OCC(=O)[O-])c(OCC)c1 ZINC000262594255 1433945421 /nfs/dbraw/zinc/94/54/21/1433945421.db2.gz INRQVLPHCJNWRO-UHFFFAOYSA-N -1 0 375.446 3.439 20 30 GGEDRM C=CCC[C@@H](NC(=O)c1cc(NC(=O)NC(C)(C)C)ccc1Cl)C(=O)[O-] ZINC000262770250 1433955043 /nfs/dbraw/zinc/95/50/43/1433955043.db2.gz AGJDOQRQNPXURP-CQSZACIVSA-N -1 0 381.860 3.409 20 30 GGEDRM C=CCC[C@H](NC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000262841079 1433960491 /nfs/dbraw/zinc/96/04/91/1433960491.db2.gz GVZDAPICIXAGBC-LSDHHAIUSA-N -1 0 399.274 3.134 20 30 GGEDRM C=CCOc1cccnc1C(=O)N1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)[O-])C1 ZINC000262912452 1433965921 /nfs/dbraw/zinc/96/59/21/1433965921.db2.gz SPFXQYLWXSDSHF-JKSUJKDBSA-N -1 0 386.835 3.240 20 30 GGEDRM C=CCOC[C@H](NC(=O)[C@H]1CC=CC[C@H]1c1nc2ccccc2s1)C(=O)[O-] ZINC000262931208 1433967719 /nfs/dbraw/zinc/96/77/19/1433967719.db2.gz GZHQSMHCXGEWRM-LZWOXQAQSA-N -1 0 386.473 3.118 20 30 GGEDRM C=CCOC[C@H](NC(=O)[C@@H]1CC=CC[C@H]1c1nc2ccccc2s1)C(=O)[O-] ZINC000262931206 1433967776 /nfs/dbraw/zinc/96/77/76/1433967776.db2.gz GZHQSMHCXGEWRM-FMKPAKJESA-N -1 0 386.473 3.118 20 30 GGEDRM C=CCC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000262949669 1433969541 /nfs/dbraw/zinc/96/95/41/1433969541.db2.gz QNSNZBBUEFUYFS-CABCVRRESA-N -1 0 399.274 3.134 20 30 GGEDRM C=CCc1ccc(OCC(=O)N2C[C@H](C(=O)[O-])[C@H](c3ccccc3)C2)c(OC)c1 ZINC000262955899 1433969824 /nfs/dbraw/zinc/96/98/24/1433969824.db2.gz RCGNTJZDBMNOKY-OALUTQOASA-N -1 0 395.455 3.129 20 30 GGEDRM C=CCC[C@@H](NC(=O)c1nnn(-c2cccc(Cl)c2)c1CCC)C(=O)[O-] ZINC000262968623 1433971464 /nfs/dbraw/zinc/97/14/64/1433971464.db2.gz SKUMIDICWNWVQR-CQSZACIVSA-N -1 0 376.844 3.022 20 30 GGEDRM C=CCSc1ccccc1NC(=O)CN1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1 ZINC000262986419 1433973510 /nfs/dbraw/zinc/97/35/10/1433973510.db2.gz NGJOFFSVAFSMGP-VXGBXAGGSA-N -1 0 388.411 3.098 20 30 GGEDRM C=CCC[C@H](NC(=O)c1sc(-c2ccc(OC)c(OC)c2)nc1C)C(=O)[O-] ZINC000262995182 1433974465 /nfs/dbraw/zinc/97/44/65/1433974465.db2.gz VSYYQYRAARQSEL-ZDUSSCGKSA-N -1 0 390.461 3.285 20 30 GGEDRM C=CCC[C@@H](NC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C)C(=O)[O-] ZINC000263011627 1433976826 /nfs/dbraw/zinc/97/68/26/1433976826.db2.gz XHQDFGWCECMXHN-OAHLLOKOSA-N -1 0 381.354 3.349 20 30 GGEDRM C=CCC[C@@H](NC(=O)CCNc1ncc(C(F)(F)F)cc1Cl)C(=O)[O-] ZINC000263016935 1433977334 /nfs/dbraw/zinc/97/73/34/1433977334.db2.gz XTNYULBMIWHDRT-LLVKDONJSA-N -1 0 379.766 3.091 20 30 GGEDRM N#Cc1ccc(NC(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)cc1C(F)(F)F ZINC000263029326 1433978698 /nfs/dbraw/zinc/97/86/98/1433978698.db2.gz KHYSZZXHADQEFY-MWLCHTKSSA-N -1 0 395.259 3.304 20 30 GGEDRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)C1 ZINC000263139120 1433989520 /nfs/dbraw/zinc/98/95/20/1433989520.db2.gz NZGDFCZFIBBTEI-IUODEOHRSA-N -1 0 384.461 3.180 20 30 GGEDRM C[C@@H](NC(=O)CSCc1ccc(C#N)cc1)c1ccc(OCC(=O)[O-])cc1 ZINC000263201531 1433994163 /nfs/dbraw/zinc/99/41/63/1433994163.db2.gz YQEDAEUOXCLGIM-CQSZACIVSA-N -1 0 384.457 3.132 20 30 GGEDRM C=C(C)[C@H](NC(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1)c1ccc(F)c(F)c1 ZINC000263406498 1434005602 /nfs/dbraw/zinc/00/56/02/1434005602.db2.gz TWSUNYSFZIUHIY-GYSYKLTISA-N -1 0 392.324 3.487 20 30 GGEDRM COc1cc(C#N)ccc1OCC(=O)N[C@H](CCC(=O)[O-])CC1CCCCC1 ZINC000263439867 1434006652 /nfs/dbraw/zinc/00/66/52/1434006652.db2.gz WRLPDBXFTLFHFT-QGZVFWFLSA-N -1 0 388.464 3.266 20 30 GGEDRM C=CCC[C@H](NC(=O)c1sc(COc2ccc(F)cc2)nc1C)C(=O)[O-] ZINC000263531329 1434011827 /nfs/dbraw/zinc/01/18/27/1434011827.db2.gz MNYXBQMKWDBZSC-AWEZNQCLSA-N -1 0 378.425 3.319 20 30 GGEDRM Cc1cc(S(=O)(=O)Nc2ccc(CC#N)cc2)ccc1OCCCC(=O)[O-] ZINC000263815845 1434037070 /nfs/dbraw/zinc/03/70/70/1434037070.db2.gz PCHVJMYSTOVHED-UHFFFAOYSA-N -1 0 388.445 3.106 20 30 GGEDRM C=C1CCN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3OC)c2)CC1 ZINC000264087620 1434070542 /nfs/dbraw/zinc/07/05/42/1434070542.db2.gz AGFNPKHPDFMPSD-UHFFFAOYSA-N -1 0 386.473 3.288 20 30 GGEDRM O=C([O-])CCOc1cccc(/C=C/C(=O)c2c(F)cccc2N2CCOCC2)c1 ZINC000265878307 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C=CCOCC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1C ZINC000735438218 1441438595 /nfs/dbraw/zinc/43/85/95/1441438595.db2.gz YDWBLEJKIQHHPS-UHFFFAOYSA-N -1 0 381.411 3.050 20 30 GGEDRM COc1cc(NC(C)=O)ccc1C(C)=NNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826180493 1441478198 /nfs/dbraw/zinc/47/81/98/1441478198.db2.gz JVMNXGURPYKQLJ-UHFFFAOYSA-N -1 0 399.842 3.323 20 30 GGEDRM O=C1c2ccc(-c3nn[n-]n3)cc2CCC1=Cc1cc2c(c(Cl)c1)OCO2 ZINC000823504635 1441503643 /nfs/dbraw/zinc/50/36/43/1441503643.db2.gz SHNOVXDCEXPHKY-XGICHPGQSA-N -1 0 380.791 3.461 20 30 GGEDRM CC(=O)Nc1ccc(O)c(C(C)=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000823999961 1441515505 /nfs/dbraw/zinc/51/55/05/1441515505.db2.gz OVODEASYNBIFAL-UHFFFAOYSA-N -1 0 385.815 3.020 20 30 GGEDRM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N(Cc1ccc(C#N)cc1)C(C)C ZINC000737293053 1441518092 /nfs/dbraw/zinc/51/80/92/1441518092.db2.gz ZDOSSLSGAQQZAL-UHFFFAOYSA-N -1 0 375.436 3.489 20 30 GGEDRM Cn1cc(CN(CCC#N)CC(C)(C)C)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826360793 1441550989 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/nfs/dbraw/zinc/69/45/11/1441694511.db2.gz YEJIXFUAYGDJTO-UHFFFAOYSA-N -1 0 393.842 3.245 20 30 GGEDRM Cn1cc(C=C2CCc3c(O)cccc3C2=O)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826359422 1441709102 /nfs/dbraw/zinc/70/91/02/1441709102.db2.gz GPZTXAZGMMEFNF-PTNGSMBKSA-N -1 0 398.426 3.185 20 30 GGEDRM Fc1ccc(NN=Cc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)nc1 ZINC000737656138 1441710750 /nfs/dbraw/zinc/71/07/50/1441710750.db2.gz KCMMEZOQNSLCQL-UHFFFAOYSA-N -1 0 389.394 3.426 20 30 GGEDRM N#C[C@@H](C(=O)Cc1ccc(-c2nn[n-]n2)cc1)c1nc2cc(F)ccc2s1 ZINC000737671986 1441749089 /nfs/dbraw/zinc/74/90/89/1441749089.db2.gz DMVUHBKOPLVADE-ZDUSSCGKSA-N -1 0 378.392 3.034 20 30 GGEDRM CCN1CC(=Cc2ccccc2C#N)C(=O)C(=Cc2ccccc2-c2nn[n-]n2)C1 ZINC000825444131 1441753209 /nfs/dbraw/zinc/75/32/09/1441753209.db2.gz JHVKTHYKPTVYRR-UHWBUFEVSA-N -1 0 396.454 3.110 20 30 GGEDRM O=C(C=Cc1cnc(-c2ccccn2)s1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826403198 1441789503 /nfs/dbraw/zinc/78/95/03/1441789503.db2.gz MGJSFMRZESNRJB-ALCCZGGFSA-N -1 0 378.392 3.420 20 30 GGEDRM CC(C)[C@@H](Oc1ccccc1C#N)C(=O)OCc1cccc(-c2nn[n-]n2)c1F ZINC000824207186 1441792149 /nfs/dbraw/zinc/79/21/49/1441792149.db2.gz RIRGXSDQVBEHAI-GOSISDBHSA-N -1 0 395.394 3.024 20 30 GGEDRM Cn1cc(C=CC(=O)c2ccc3c(c2)CCO3)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826360023 1441816243 /nfs/dbraw/zinc/81/62/43/1441816243.db2.gz VQEGOCQHVIHOLE-SOFGYWHQSA-N -1 0 398.426 3.098 20 30 GGEDRM N#Cc1cc(NC(=O)[C@H](OC2CCCC2)c2ccccc2)ccc1-c1nn[n-]n1 ZINC000737704820 1441838941 /nfs/dbraw/zinc/83/89/41/1441838941.db2.gz KPHSXHYNQFKZSB-LJQANCHMSA-N -1 0 388.431 3.377 20 30 GGEDRM C[C@@H](CC#N)Sc1ccccc1NCC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000735977748 1441842323 /nfs/dbraw/zinc/84/23/23/1441842323.db2.gz XGKZNVIABXLOJW-ZDUSSCGKSA-N -1 0 393.476 3.312 20 30 GGEDRM C[C@@H](Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)c1cccc(C#N)c1 ZINC000820450596 1441859011 /nfs/dbraw/zinc/85/90/11/1441859011.db2.gz NMRWCJICBWFDRU-LLVKDONJSA-N -1 0 386.375 3.368 20 30 GGEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H]1C[C@@]1(C)c1ccccc1 ZINC000819744127 1441869412 /nfs/dbraw/zinc/86/94/12/1441869412.db2.gz XISGNSTZEZDJHY-UGKGYDQZSA-N -1 0 388.475 3.295 20 30 GGEDRM CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2cc(-c3nn[n-]n3)ccc2C)c1 ZINC000736308435 1441974747 /nfs/dbraw/zinc/97/47/47/1441974747.db2.gz DJSBVWJXDDGYSP-MRXNPFEDSA-N -1 0 391.435 3.178 20 30 GGEDRM COc1cccc(C=NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c1OC ZINC000737127973 1441993340 /nfs/dbraw/zinc/99/33/40/1441993340.db2.gz AAAQPHCLZCINHS-UHFFFAOYSA-N -1 0 392.341 3.349 20 30 GGEDRM O=C1c2ccc(Br)cc2OC1=Cc1ccc(-c2nn[n-]n2)s1 ZINC000823503364 1442013430 /nfs/dbraw/zinc/01/34/30/1442013430.db2.gz DWQJGXMIZFIASX-WDZFZDKYSA-N -1 0 375.207 3.307 20 30 GGEDRM Cc1cccc2c1ncc(C#N)c2N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826304717 1442038007 /nfs/dbraw/zinc/03/80/07/1442038007.db2.gz VVNINHSRIOOVKH-LJQANCHMSA-N -1 0 397.442 3.173 20 30 GGEDRM Cn1cnc2cc(C=NNc3ccc(-c4nn[n-]n4)c(C(F)(F)F)c3)ccc21 ZINC000826365265 1442048805 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394.460 3.403 20 30 GGEDRM CCC[C@H](C#N)NC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000821009426 1442141029 /nfs/dbraw/zinc/14/10/29/1442141029.db2.gz RCIAEBGRGQXAQS-MRXNPFEDSA-N -1 0 376.420 3.390 20 30 GGEDRM Cc1cc(Oc2ncccc2-c2nn[n-]n2)ccc1NC(=O)C#Cc1ccccc1 ZINC000822211741 1442145816 /nfs/dbraw/zinc/14/58/16/1442145816.db2.gz MPSCQWYQIXZZAQ-UHFFFAOYSA-N -1 0 396.410 3.353 20 30 GGEDRM COc1ccc(C=NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cc1OC ZINC000737083736 1442170714 /nfs/dbraw/zinc/17/07/14/1442170714.db2.gz UTNYAGSJKOYURQ-UHFFFAOYSA-N -1 0 392.341 3.349 20 30 GGEDRM C#Cc1ccc(C(=O)Nc2cccc(OCc3cccc(-c4nn[n-]n4)c3)c2)cn1 ZINC000735389695 1442173730 /nfs/dbraw/zinc/17/37/30/1442173730.db2.gz GRHZFFUBQKIBJB-UHFFFAOYSA-N -1 0 396.410 3.074 20 30 GGEDRM O=C(C=Cc1ccccc1-c1nn[n-]n1)OCC#Cc1ccc(C(F)(F)F)cc1 ZINC000822936918 1442193999 /nfs/dbraw/zinc/19/39/99/1442193999.db2.gz YDVNFNWWGZQOCR-FMIVXFBMSA-N -1 0 398.344 3.494 20 30 GGEDRM Cc1cc(-c2nn[n-]n2)ccc1C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F 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Fc1cc(C=NNc2cc(-c3nn[n-]n3)cc(Cl)n2)ccc1Br ZINC000826372491 1450426620 /nfs/dbraw/zinc/42/66/20/1450426620.db2.gz ZAEPCXFLVVZCOW-UHFFFAOYSA-N -1 0 396.611 3.263 20 30 GGEDRM CCOc1c(Cl)cc(C=NNCc2ccc(-c3nn[n-]n3)cc2)cc1OC ZINC000821390464 1450458876 /nfs/dbraw/zinc/45/88/76/1450458876.db2.gz YAPNTTKKOJPGAR-UHFFFAOYSA-N -1 0 386.843 3.051 20 30 GGEDRM Cc1ccc2c(c1)OCCCC2N=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1 ZINC000822279577 1450484793 /nfs/dbraw/zinc/48/47/93/1450484793.db2.gz BHFKXFRJNOWULY-UHFFFAOYSA-N -1 0 381.440 3.449 20 30 GGEDRM Cc1nc(SCC(=O)NC2(C(=O)[O-])CCCCCC2)c(C#N)c(C)c1C ZINC000762021201 939070668 /nfs/dbraw/zinc/07/06/68/939070668.db2.gz AOFPSLKUPNFCIX-UHFFFAOYSA-N -1 0 375.494 3.264 20 30 GGEDRM C[C@@](NC(=O)Nc1ccc(C#N)cc1)(C(=O)[O-])c1cccc(Br)c1 ZINC000788315359 939148496 /nfs/dbraw/zinc/14/84/96/939148496.db2.gz QVPUWAARBXUXHC-KRWDZBQOSA-N -1 0 388.221 3.442 20 30 GGEDRM COc1cc(C#N)ccc1OCC(=O)N[C@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC000431886279 939169116 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971524775 /nfs/dbraw/zinc/52/47/75/971524775.db2.gz AVDDMIJKPBUMSS-GFCCVEGCSA-N -1 0 379.132 3.411 20 30 GGEDRM C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H](Cc1ccncc1)C(=O)[O-] ZINC001602786287 971532124 /nfs/dbraw/zinc/53/21/24/971532124.db2.gz JKENFLFPIOWAOJ-CZUORRHYSA-N -1 0 384.461 3.151 20 30 GGEDRM C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCC(C)(C(=O)[O-])CC1 ZINC001602795997 971559290 /nfs/dbraw/zinc/55/92/90/971559290.db2.gz RQCANXRRXWBVIT-CYBMUJFWSA-N -1 0 389.521 3.402 20 30 GGEDRM C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCC[C@@H](CC(=O)[O-])C1 ZINC001602796023 971559489 /nfs/dbraw/zinc/55/94/89/971559489.db2.gz SVNXGTRVLURXKT-KBPBESRZSA-N -1 0 389.521 3.402 20 30 GGEDRM CC(C)(C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1)c1ccc(-c2ccccc2)cc1 ZINC001573788663 949206511 /nfs/dbraw/zinc/20/65/11/949206511.db2.gz RMLXVBLPKAVZDH-UHFFFAOYSA-N -1 0 398.430 3.045 20 30 GGEDRM CC[C@]1(C(=O)[O-])CCCN(S(=O)(=O)c2sc3ccc(C#N)cc3c2C)C1 ZINC001589607369 949298778 /nfs/dbraw/zinc/29/87/78/949298778.db2.gz FJNQEBXQOJQJHT-SFHVURJKSA-N -1 0 392.502 3.347 20 30 GGEDRM CCCc1c(NC(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C)cnn1-c1cccc(C#N)c1 ZINC001589688078 950086420 /nfs/dbraw/zinc/08/64/20/950086420.db2.gz BBOBDSZIXJPKCI-GDBMZVCRSA-N -1 0 395.463 3.413 20 30 GGEDRM CCCc1c(NC(=O)[C@@]2(C(=O)[O-])CC=CCC2)cnn1-c1cccc(C#N)c1 ZINC001589688163 950088473 /nfs/dbraw/zinc/08/84/73/950088473.db2.gz GMQBENUDVRJTGR-OAQYLSRUSA-N -1 0 378.432 3.446 20 30 GGEDRM CCN(C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)[C@@H](C)C(=O)[O-] ZINC001589705982 950286243 /nfs/dbraw/zinc/28/62/43/950286243.db2.gz SUYUIWGZMUNJAJ-JTQLQIEISA-N -1 0 391.478 3.029 20 30 GGEDRM CC(C)(C)[C@H](C(=O)[O-])C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 ZINC001602852761 971693178 /nfs/dbraw/zinc/69/31/78/971693178.db2.gz GQACABNGHPFELF-LBPRGKRZSA-N -1 0 390.490 3.387 20 30 GGEDRM CCOC(=O)Nc1ccc(NC(=O)N[C@@H](C(=O)[O-])c2cccc(C)c2)cc1C#N ZINC001590957087 951020851 /nfs/dbraw/zinc/02/08/51/951020851.db2.gz BMHCWVXKCGHUJX-QGZVFWFLSA-N -1 0 396.403 3.383 20 30 GGEDRM CC(C)(C)CC[C@@H](NC(=O)Nc1cnn(Cc2ccc(C#N)cc2)c1)C(=O)[O-] ZINC001602860479 971715128 /nfs/dbraw/zinc/71/51/28/971715128.db2.gz CJDSOJVQWUKAEI-QGZVFWFLSA-N -1 0 383.452 3.204 20 30 GGEDRM CCOC(=O)c1sc(NC(=O)c2c(F)cc(C#N)cc2F)c(C(=O)[O-])c1C ZINC001591466808 951149231 /nfs/dbraw/zinc/14/92/31/951149231.db2.gz OXFYWHRXINGSHN-UHFFFAOYSA-N -1 0 394.355 3.334 20 30 GGEDRM CC(C)(C)c1cc(NC(=O)N2CCC[C@@H]2C(=O)[O-])n(-c2ccc(C#N)cc2)n1 ZINC001602922754 971880559 /nfs/dbraw/zinc/88/05/59/971880559.db2.gz BBTINQIGUYJZNK-OAHLLOKOSA-N -1 0 381.436 3.122 20 30 GGEDRM CC(C)(C)c1cc(NC(=O)c2ccc(C(=O)[O-])cn2)n(-c2ccc(C#N)cc2)n1 ZINC001602922804 971881599 /nfs/dbraw/zinc/88/15/99/971881599.db2.gz FYESDMKLBWPHST-UHFFFAOYSA-N -1 0 389.415 3.387 20 30 GGEDRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2cccc(COc3ccc(C#N)cc3)c2)C1 ZINC001589274956 953458235 /nfs/dbraw/zinc/45/82/35/953458235.db2.gz NYQJDYMQNKBCCO-DNVCBOLYSA-N -1 0 378.428 3.320 20 30 GGEDRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2cccc(COc3ccc(C#N)cc3)c2)C1 ZINC001589274957 953458430 /nfs/dbraw/zinc/45/84/30/953458430.db2.gz NYQJDYMQNKBCCO-HNAYVOBHSA-N -1 0 378.428 3.320 20 30 GGEDRM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)c2cccc(COc3ccccc3C#N)c2)C1 ZINC001589275202 953462060 /nfs/dbraw/zinc/46/20/60/953462060.db2.gz VKWYFVHMYREDFQ-KXBFYZLASA-N -1 0 378.428 3.320 20 30 GGEDRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2cccc(COc3ccccc3C#N)c2)C1 ZINC001589275200 953462448 /nfs/dbraw/zinc/46/24/48/953462448.db2.gz VKWYFVHMYREDFQ-DNVCBOLYSA-N -1 0 378.428 3.320 20 30 GGEDRM C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC001589277602 953467324 /nfs/dbraw/zinc/46/73/24/953467324.db2.gz AYHWCPJUCMUYOA-MCIONIFRSA-N -1 0 389.521 3.258 20 30 GGEDRM CCC(CC)(CNC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1)C(=O)[O-] ZINC000424421030 953480957 /nfs/dbraw/zinc/48/09/57/953480957.db2.gz CKLYUWOOOHFGKK-UHFFFAOYSA-N -1 0 391.443 3.141 20 30 GGEDRM C[C@H]1CCN(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)C[C@H]1C(=O)[O-] ZINC000575868773 953686518 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3.175 20 30 GGEDRM C[C@@H](NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000594537831 953766794 /nfs/dbraw/zinc/76/67/94/953766794.db2.gz MWWJIMNKGDAHRD-MDASCCDHSA-N -1 0 399.491 3.246 20 30 GGEDRM C[C@H](NC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000594534307 953766847 /nfs/dbraw/zinc/76/68/47/953766847.db2.gz DIYVCZIOAIGVBN-ZOCIIQOWSA-N -1 0 399.491 3.246 20 30 GGEDRM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000594671445 953767634 /nfs/dbraw/zinc/76/76/34/953767634.db2.gz QGRJOOOTPRTKDU-UHFFFAOYSA-N -1 0 392.502 3.347 20 30 GGEDRM O=C([O-])[C@@H](Cc1ccncc1)NC(=O)Nc1cccc(C#Cc2cccs2)c1 ZINC001594808103 953794539 /nfs/dbraw/zinc/79/45/39/953794539.db2.gz QGPCMTGUJFFTNS-LJQANCHMSA-N -1 0 391.452 3.360 20 30 GGEDRM C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)cc1 ZINC000630563732 953861328 /nfs/dbraw/zinc/86/13/28/953861328.db2.gz VFNFXGAUQVXPFS-MAUKXSAKSA-N -1 0 385.464 3.075 20 30 GGEDRM C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)cc1 ZINC000630563733 953861799 /nfs/dbraw/zinc/86/17/99/953861799.db2.gz VFNFXGAUQVXPFS-QAPCUYQASA-N -1 0 385.464 3.075 20 30 GGEDRM C[C@H]1CCN(C(=O)Nc2cccc(Oc3ccc(C#N)cn3)c2)C[C@H]1C(=O)[O-] ZINC001589343186 954028589 /nfs/dbraw/zinc/02/85/89/954028589.db2.gz DDSVJWZAYASUBP-SUMWQHHRSA-N -1 0 380.404 3.320 20 30 GGEDRM C=CCc1ccc(OCC(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)c(OC)c1 ZINC000653333272 954164206 /nfs/dbraw/zinc/16/42/06/954164206.db2.gz NDVMTGZTZOCEGX-ROUUACIJSA-N -1 0 381.428 3.232 20 30 GGEDRM C[C@@H]1CN(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)CC[C@@H]1C(=O)[O-] ZINC001589387542 954313096 /nfs/dbraw/zinc/31/30/96/954313096.db2.gz MVJCIWQAXQASGB-ACJLOTCBSA-N -1 0 380.404 3.320 20 30 GGEDRM C[C@H]1Cc2c(C(=O)[O-])c(NC(=O)COc3ccc(C#N)cc3)sc2[C@H](C)O1 ZINC001589412135 954525103 /nfs/dbraw/zinc/52/51/03/954525103.db2.gz VVSSFZUNEMQMTI-QWRGUYRKSA-N -1 0 386.429 3.358 20 30 GGEDRM CC[C@@H](CNC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1)C(=O)[O-] ZINC001589538630 955184176 /nfs/dbraw/zinc/18/41/76/955184176.db2.gz XQDSFWYLRAVEJS-AWEZNQCLSA-N -1 0 383.452 3.274 20 30 GGEDRM Cc1oc(NC(=O)CN2C[C@@H](CCC(=O)[O-])Cc3ccccc32)c(C#N)c1C ZINC001594506770 955363775 /nfs/dbraw/zinc/36/37/75/955363775.db2.gz QDEFMMZZYPCXGS-HNNXBMFYSA-N -1 0 381.432 3.250 20 30 GGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 ZINC000819857181 955459091 /nfs/dbraw/zinc/45/90/91/955459091.db2.gz UECMOQONXJBYQR-NRFANRHFSA-N -1 0 377.400 3.275 20 30 GGEDRM Cn1cc(-c2csc(NC(=O)CCc3ccc(C#N)cc3)c2C(=O)[O-])cn1 ZINC001594523307 955473256 /nfs/dbraw/zinc/47/32/56/955473256.db2.gz WPJVPGFQSIGHPG-UHFFFAOYSA-N -1 0 380.429 3.290 20 30 GGEDRM C=CCc1cc(C(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)cc(OC)c1OC ZINC000846718427 955727198 /nfs/dbraw/zinc/72/71/98/955727198.db2.gz WMLVWMBNRYERMU-ZWKOTPCHSA-N -1 0 381.428 3.475 20 30 GGEDRM COC(=O)c1cccc(C#Cc2cccc(NC(=O)CCCCC(=O)[O-])c2)c1 ZINC001593886201 955749941 /nfs/dbraw/zinc/74/99/41/955749941.db2.gz QOVGKYABPGWCMV-UHFFFAOYSA-N -1 0 379.412 3.457 20 30 GGEDRM CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c1 ZINC000848579641 955751843 /nfs/dbraw/zinc/75/18/43/955751843.db2.gz KSPJORSSJMZFAQ-UNQWWWNPSA-N -1 0 387.480 3.302 20 30 GGEDRM COC(=O)c1cccc(C#Cc2cccc(NC(=O)N[C@@H](C(=O)[O-])C(C)C)c2)c1 ZINC001593886401 955753457 /nfs/dbraw/zinc/75/34/57/955753457.db2.gz WZSGVQKMQQCQEP-LJQANCHMSA-N -1 0 394.427 3.104 20 30 GGEDRM C[C@H](NC(=O)Cc1ccc(Br)cc1C#N)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589095815 955986057 /nfs/dbraw/zinc/98/60/57/955986057.db2.gz LLGCNKKPZDAFQE-NZVBXONLSA-N -1 0 393.281 3.115 20 30 GGEDRM Cn1nccc1[C@@H](NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)C(=O)[O-] ZINC001594589176 956033299 /nfs/dbraw/zinc/03/32/99/956033299.db2.gz HSTPAXHNJARTRH-GOSISDBHSA-N -1 0 391.387 3.031 20 30 GGEDRM COC(=O)[C@H](c1ccc(C#N)cc1)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000873640488 956070410 /nfs/dbraw/zinc/07/04/10/956070410.db2.gz FMUAKTVJBYLZQO-FQEVSTJZSA-N -1 0 378.428 3.350 20 30 GGEDRM C[C@H](NC(=O)Nc1cnn(Cc2ccc(C#N)cc2)c1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589113598 956071167 /nfs/dbraw/zinc/07/11/67/956071167.db2.gz PEUYCYKEXWKBJV-DOPJRALCSA-N -1 0 395.463 3.060 20 30 GGEDRM N#CCOc1ccc(CC(=O)N2C[C@H](CCC(=O)[O-])Cc3ccccc32)cc1 ZINC001594609497 956193651 /nfs/dbraw/zinc/19/36/51/956193651.db2.gz AVOWFDADKIXJPQ-QGZVFWFLSA-N -1 0 378.428 3.202 20 30 GGEDRM N#Cc1ccc2c(c1)C[C@@H](NC(=O)N1CCC(c3ccccc3C(=O)[O-])CC1)C2 ZINC000874420483 956215297 /nfs/dbraw/zinc/21/52/97/956215297.db2.gz NLNGWQOITAAWMJ-IBGZPJMESA-N -1 0 389.455 3.313 20 30 GGEDRM N#Cc1cc(Br)ccc1C(=O)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001594614115 956227944 /nfs/dbraw/zinc/22/79/44/956227944.db2.gz JLZHELLSWXTIIB-HOTGVXAUSA-N -1 0 385.217 3.364 20 30 GGEDRM N#Cc1cc(Br)ccc1C(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001594614113 956228177 /nfs/dbraw/zinc/22/81/77/956228177.db2.gz JLZHELLSWXTIIB-CVEARBPZSA-N -1 0 385.217 3.364 20 30 GGEDRM N#Cc1cc(Br)cc(COC(=O)c2coc(/C=C/C(=O)[O-])c2)c1 ZINC001594614509 956231513 /nfs/dbraw/zinc/23/15/13/956231513.db2.gz XINPXRUHLJDBDC-OWOJBTEDSA-N -1 0 376.162 3.369 20 30 GGEDRM N#Cc1c(C#N)c2c(nc1NC[C@@H]1CCC3(CC(C(=O)[O-])C3)O1)CCCCCC2 ZINC001594614461 956232567 /nfs/dbraw/zinc/23/25/67/956232567.db2.gz WBMXUENUDVPZPW-HVPFBLEYSA-N -1 0 394.475 3.308 20 30 GGEDRM N#Cc1cc(F)c(OC(=O)/C=C/c2ccc(C(=O)[O-])o2)c(Br)c1 ZINC001594617180 956247468 /nfs/dbraw/zinc/24/74/68/956247468.db2.gz ZWIVXVMRQTXAAV-DUXPYHPUSA-N -1 0 380.125 3.370 20 30 GGEDRM N#Cc1ccc(C(=O)N2CC[C@@H](C(=O)[O-])c3cc(Br)ccc32)o1 ZINC001594617792 956254764 /nfs/dbraw/zinc/25/47/64/956254764.db2.gz LRRDPDHXZLYICE-LLVKDONJSA-N -1 0 375.178 3.132 20 30 GGEDRM N#Cc1ccc([C@@H]2CN(Cc3ccc(N4CCC[C@H](C(=O)[O-])C4)o3)CCO2)cc1 ZINC001594618178 956261352 /nfs/dbraw/zinc/26/13/52/956261352.db2.gz HNICGGKJWQRCGD-ICSRJNTNSA-N -1 0 395.459 3.026 20 30 GGEDRM N#Cc1ccc(C2(NC(=O)Nc3ccc(C(=O)[O-])cc3F)CCOCC2)cc1 ZINC001594618751 956266872 /nfs/dbraw/zinc/26/68/72/956266872.db2.gz ZJZNEJDFTSXFLV-UHFFFAOYSA-N -1 0 383.379 3.223 20 30 GGEDRM N#Cc1ccc(CN(CC(F)(F)F)C(=O)c2coc(/C=C\C(=O)[O-])c2)cc1 ZINC001594618725 956267437 /nfs/dbraw/zinc/26/74/37/956267437.db2.gz YFTVVXJODIMGEK-WAYWQWQTSA-N -1 0 378.306 3.454 20 30 GGEDRM N#Cc1ccc(Cn2cc(NC(=O)N3CCCC[C@H]3CCC(=O)[O-])cn2)cc1 ZINC001594619527 956267918 /nfs/dbraw/zinc/26/79/18/956267918.db2.gz FKPGCJYRVLNDSM-SFHVURJKSA-N -1 0 381.436 3.054 20 30 GGEDRM N#Cc1ccc(NC(=O)N[C@@H](C(=O)[O-])c2ccc(F)cc2)cc1Br ZINC001594622941 956294713 /nfs/dbraw/zinc/29/47/13/956294713.db2.gz QLLQXNFXTAKCQW-CQSZACIVSA-N -1 0 392.184 3.407 20 30 GGEDRM N#Cc1ccc(OC2CCC(NC(=O)Nc3ccccc3CC(=O)[O-])CC2)nc1 ZINC001594623740 956299053 /nfs/dbraw/zinc/29/90/53/956299053.db2.gz HEBASGPHXYVEHQ-UHFFFAOYSA-N -1 0 394.431 3.092 20 30 GGEDRM N#Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CC(C(=O)[O-])=NO3)cc2Cl)cc1 ZINC001594625031 956305939 /nfs/dbraw/zinc/30/59/39/956305939.db2.gz ISLDYPGGWYQXGO-INIZCTEOSA-N -1 0 385.763 3.172 20 30 GGEDRM N#Cc1ccc(Oc2ccc(NC(=O)c3cccc(OCC(=O)[O-])c3)cc2)nc1 ZINC001594625446 956309085 /nfs/dbraw/zinc/30/90/85/956309085.db2.gz QCXQCJQTILWPKE-UHFFFAOYSA-N -1 0 389.367 3.461 20 30 GGEDRM N#Cc1ccc(OCc2ccc(C(=O)N[C@H](C(=O)[O-])c3ccc(F)cc3)o2)cc1 ZINC001594625896 956314439 /nfs/dbraw/zinc/31/44/39/956314439.db2.gz ZHJIBSHDUMPOOB-IBGZPJMESA-N -1 0 394.358 3.425 20 30 GGEDRM N#Cc1cccc([C@H](NC(=O)NCc2ccc(C(=O)[O-])cc2)C(F)(F)F)c1 ZINC001594625893 956315121 /nfs/dbraw/zinc/31/51/21/956315121.db2.gz QJCILGGZCBDGCJ-HNNXBMFYSA-N -1 0 377.322 3.359 20 30 GGEDRM N#Cc1cccc([C@@H](NC(=O)N[C@@H](C(=O)[O-])c2ccc(F)cc2)C(F)(F)F)c1 ZINC001594626348 956317323 /nfs/dbraw/zinc/31/73/23/956317323.db2.gz XCJRFNJSBVNARQ-HUUCEWRRSA-N -1 0 395.312 3.426 20 30 GGEDRM N#Cc1ccccc1-c1ccccc1C(=O)NC[C@H]1CCC2(CC(C(=O)[O-])C2)O1 ZINC001594628529 956331989 /nfs/dbraw/zinc/33/19/89/956331989.db2.gz AQOMTJAOGNOXMJ-WCCYLALTSA-N -1 0 390.439 3.367 20 30 GGEDRM N#Cc1cccc(Oc2ccc(NC(=O)N3C[C@@H](C(=O)[O-])[C@H](C4CC4)C3)cn2)c1 ZINC001594628590 956334129 /nfs/dbraw/zinc/33/41/29/956334129.db2.gz DWUNEFHDRRVAHH-ZWKOTPCHSA-N -1 0 392.415 3.320 20 30 GGEDRM N#Cc1cccc(OCc2ccoc2C(=O)N2CCC[C@H](CCC(=O)[O-])C2)c1 ZINC001594628862 956337414 /nfs/dbraw/zinc/33/74/14/956337414.db2.gz SNIDEYGUQKDAGN-OAHLLOKOSA-N -1 0 382.416 3.447 20 30 GGEDRM N#Cc1cccnc1NCc1cccc(C(=O)Nc2ccccc2CC(=O)[O-])c1 ZINC001594631358 956340183 /nfs/dbraw/zinc/34/01/83/956340183.db2.gz BIZMTNCWMHVRKM-UHFFFAOYSA-N -1 0 386.411 3.445 20 30 GGEDRM N#Cc1cccnc1OC1CCC(NC(=O)Nc2ccccc2CC(=O)[O-])CC1 ZINC001594631686 956344209 /nfs/dbraw/zinc/34/42/09/956344209.db2.gz LDKWVTBQAKGUKN-UHFFFAOYSA-N -1 0 394.431 3.092 20 30 GGEDRM N#Cc1ccccc1N1CCC(NC(=O)Nc2cccc(CCC(=O)[O-])c2)CC1 ZINC001594631731 956344425 /nfs/dbraw/zinc/34/44/25/956344425.db2.gz GQFMOIBFCQDRKQ-UHFFFAOYSA-N -1 0 392.459 3.366 20 30 GGEDRM N#Cc1ccccc1N(Cc1ccco1)C(=O)c1cccc(OCC(=O)[O-])c1 ZINC001594631728 956344745 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956916405 /nfs/dbraw/zinc/91/64/05/956916405.db2.gz TWMOHJUGQXMNRM-ZDUSSCGKSA-N -1 0 379.441 3.342 20 30 GGEDRM COCCN(CCC(=O)[O-])C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC001594005929 956975344 /nfs/dbraw/zinc/97/53/44/956975344.db2.gz PUNNJCPWEDQGQG-UHFFFAOYSA-N -1 0 383.404 3.306 20 30 GGEDRM COCCN(CCC(=O)[O-])C(=O)c1ccccc1SCc1ccc(C#N)cc1 ZINC001594010388 956987325 /nfs/dbraw/zinc/98/73/25/956987325.db2.gz IPTFJXHFWPKTGH-UHFFFAOYSA-N -1 0 398.484 3.414 20 30 GGEDRM COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001594012023 957004909 /nfs/dbraw/zinc/00/49/09/957004909.db2.gz BOQFDOVGSANPNE-VQTJNVASSA-N -1 0 393.443 3.029 20 30 GGEDRM COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001594012019 957005413 /nfs/dbraw/zinc/00/54/13/957005413.db2.gz BOQFDOVGSANPNE-PMACEKPBSA-N -1 0 393.443 3.029 20 30 GGEDRM C=CCn1c(SCC(=O)Nc2ccc(C(=O)[O-])cc2)nnc1-c1ccoc1C ZINC000013346750 957035118 /nfs/dbraw/zinc/03/51/18/957035118.db2.gz ROWYUTYTXRVUGP-UHFFFAOYSA-N -1 0 398.444 3.462 20 30 GGEDRM C=CCn1c(=O)c2ccccc2nc1SCC(=O)Nc1cccc(C(=O)[O-])c1 ZINC000013353471 957036036 /nfs/dbraw/zinc/03/60/36/957036036.db2.gz MMQLESDFKJQOCK-UHFFFAOYSA-N -1 0 395.440 3.012 20 30 GGEDRM O=C([O-])COc1ccc(/C=C/C(=O)c2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000016389502 957098675 /nfs/dbraw/zinc/09/86/75/957098675.db2.gz MOBLSVBQEURNBF-FPYGCLRLSA-N -1 0 385.391 3.022 20 30 GGEDRM N#Cc1ccc(F)c(CNC(=O)N2CCC(c3ccccc3C(=O)[O-])CC2)c1 ZINC001121917085 957230783 /nfs/dbraw/zinc/23/07/83/957230783.db2.gz GANMCJIQNURWCE-UHFFFAOYSA-N -1 0 381.407 3.485 20 30 GGEDRM Cc1cc(C(=O)[O-])cc(C(=O)N2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)c1 ZINC001594283401 957761698 /nfs/dbraw/zinc/76/16/98/957761698.db2.gz CWOLIAMBMYCWLG-IBGZPJMESA-N -1 0 397.862 3.369 20 30 GGEDRM COc1cc([C@H](C)NC(=O)[C@](C)(C#N)CC(=O)[O-])ccc1OCCC(C)C ZINC001594053307 958006601 /nfs/dbraw/zinc/00/66/01/958006601.db2.gz XKMCDRCVRTUYKW-XOBRGWDASA-N -1 0 376.453 3.302 20 30 GGEDRM COc1cc([C@@H](C)NC(=O)[C@@](C)(C#N)CC(=O)[O-])ccc1OCCC(C)C ZINC001594053304 958006712 /nfs/dbraw/zinc/00/67/12/958006712.db2.gz XKMCDRCVRTUYKW-JLTOFOAXSA-N -1 0 376.453 3.302 20 30 GGEDRM C#CCN(CC(=O)[O-])C(=O)NCCCCSc1ccccc1Br ZINC001588408220 958106880 /nfs/dbraw/zinc/10/68/80/958106880.db2.gz BMLBHISVDVQUKW-UHFFFAOYSA-N -1 0 399.310 3.051 20 30 GGEDRM C#CCN(CC(=O)[O-])C(=O)NCc1nc(-c2ccc(Cl)cc2)c(C)s1 ZINC001588408848 958118416 /nfs/dbraw/zinc/11/84/16/958118416.db2.gz IAXINOQQJNHCCM-UHFFFAOYSA-N -1 0 377.853 3.001 20 30 GGEDRM C#CCN(CC(=O)[O-])C(=O)N[C@@H](C)c1ccc(OCc2ccccc2)c(OC)c1 ZINC001588409601 958128999 /nfs/dbraw/zinc/12/89/99/958128999.db2.gz HKFDMAXSFMUDOX-INIZCTEOSA-N -1 0 396.443 3.065 20 30 GGEDRM C#CCN(CC(=O)[O-])C(=O)N[C@H](C)c1sc(-c2ccc(F)cc2)nc1C ZINC001588409599 958129240 /nfs/dbraw/zinc/12/92/40/958129240.db2.gz HJKYVXKXIOSQJF-GFCCVEGCSA-N -1 0 375.425 3.048 20 30 GGEDRM Cc1cc(NC(=O)Nc2ccc(S(=O)(=O)[C@H](C)C#N)cc2)ccc1C(=O)[O-] ZINC001594323029 958136672 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3.075 20 30 GGEDRM COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CSCCC(=O)[O-])cc1 ZINC001594074673 958205088 /nfs/dbraw/zinc/20/50/88/958205088.db2.gz QQHUGPLXZTXLNM-UHFFFAOYSA-N -1 0 387.461 3.121 20 30 GGEDRM COc1ccc(Br)c2sc(NC(=O)[C@](C)(C#N)CC(=O)[O-])nc21 ZINC001594075437 958218981 /nfs/dbraw/zinc/21/89/81/958218981.db2.gz QMUBRKVWRLDGEK-AWEZNQCLSA-N -1 0 398.238 3.010 20 30 GGEDRM C#CCN(CC(=O)[O-])Cc1cn(-c2ccc(Br)cc2)nc1C(C)C ZINC001588425458 958226042 /nfs/dbraw/zinc/22/60/42/958226042.db2.gz SIBPFMSPECQHGF-UHFFFAOYSA-N -1 0 390.281 3.278 20 30 GGEDRM Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)cc1C ZINC001594337585 958280446 /nfs/dbraw/zinc/28/04/46/958280446.db2.gz LQWBEBUYLHGAHT-KDOFPFPSSA-N -1 0 394.475 3.263 20 30 GGEDRM Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCC[C@H](CC(=O)[O-])C2)cc1C ZINC001594337942 958281814 /nfs/dbraw/zinc/28/18/14/958281814.db2.gz SNQCJQRTZCGEHL-QGZVFWFLSA-N -1 0 394.475 3.408 20 30 GGEDRM COc1cc(NC(=O)CSCc2ccc(C#N)cc2)c(C(=O)[O-])cc1OC ZINC000096749553 958340710 /nfs/dbraw/zinc/34/07/10/958340710.db2.gz GUNSRIVGZKGSDP-UHFFFAOYSA-N -1 0 386.429 3.146 20 30 GGEDRM C=C(C)Cn1c(N2CCC(C(=O)[O-])CC2)nnc1C(F)(F)Oc1ccccc1 ZINC001588443518 958354145 /nfs/dbraw/zinc/35/41/45/958354145.db2.gz SLYWTHWLIMJMOH-UHFFFAOYSA-N -1 0 392.406 3.284 20 30 GGEDRM C=C[C@H](CC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)[O-])c1ccccc1 ZINC001588450749 958399139 /nfs/dbraw/zinc/39/91/39/958399139.db2.gz AZKCOZNGPICGFE-MJGOQNOKSA-N -1 0 381.428 3.049 20 30 GGEDRM C=CCCC(=O)Nc1ccc(COC(=O)c2ccc(OCC(=O)[O-])cc2)cc1 ZINC001588457106 958445047 /nfs/dbraw/zinc/44/50/47/958445047.db2.gz KJCLIMJEKGHIQK-UHFFFAOYSA-N -1 0 383.400 3.412 20 30 GGEDRM C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001588457909 958455428 /nfs/dbraw/zinc/45/54/28/958455428.db2.gz ICNJHOUCCALNNP-QKPAOTATSA-N -1 0 396.528 3.488 20 30 GGEDRM C#C[C@H](NC(=O)N1CCC[C@](CC)(C(=O)[O-])C1)c1ccc(Br)cc1 ZINC001573317790 958455629 /nfs/dbraw/zinc/45/56/29/958455629.db2.gz GESMJHYVOWSGCY-YJBOKZPZSA-N -1 0 393.281 3.410 20 30 GGEDRM C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001588457907 958455680 /nfs/dbraw/zinc/45/56/80/958455680.db2.gz ICNJHOUCCALNNP-JONQDZQNSA-N -1 0 396.528 3.488 20 30 GGEDRM C#CCN(CC(=O)[O-])C(=O)Nc1cnn(-c2cccc(C(F)(F)F)c2)c1CC ZINC001573318233 958462289 /nfs/dbraw/zinc/46/22/89/958462289.db2.gz SNVLWTCBFOIAIU-UHFFFAOYSA-N -1 0 394.353 3.005 20 30 GGEDRM C=CC[C@@]1(C(=O)N2CCC[C@@H](CC(=O)[O-])C2)CCCN1C(=O)OC(C)(C)C ZINC001588458755 958465363 /nfs/dbraw/zinc/46/53/63/958465363.db2.gz YREOLICPEMTKOM-YWZLYKJASA-N -1 0 380.485 3.046 20 30 GGEDRM C#CCN(CC(=O)[O-])C(=O)[C@@H](Oc1ccc(F)cc1Cl)c1ccccc1 ZINC001573318680 958466913 /nfs/dbraw/zinc/46/69/13/958466913.db2.gz QIWQCZRLTNJTSA-SFHVURJKSA-N -1 0 375.783 3.146 20 30 GGEDRM C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001588458853 958467324 /nfs/dbraw/zinc/46/73/24/958467324.db2.gz VOWNKDOKUXFRPZ-SJORKVTESA-N -1 0 390.480 3.048 20 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C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C(=O)[O-])c1cccc(C)c1 ZINC001573328337 958497855 /nfs/dbraw/zinc/49/78/55/958497855.db2.gz GUSGEYROVBOYOL-IRXDYDNUSA-N -1 0 390.480 3.487 20 30 GGEDRM C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC001573336472 958518026 /nfs/dbraw/zinc/51/80/26/958518026.db2.gz AXZUJHMOICPFOB-VQHVLOKHSA-N -1 0 386.356 3.120 20 30 GGEDRM C=CCc1cc(CNC(=O)C2(C(=O)[O-])CCCCCC2)cc(OC)c1OC ZINC001573336502 958518558 /nfs/dbraw/zinc/51/85/58/958518558.db2.gz BJMXVWKBVREHPA-UHFFFAOYSA-N -1 0 375.465 3.474 20 30 GGEDRM C=CCc1ccc(OC(=O)C2=NN(c3ccccc3)[C@@H](C(=O)[O-])C2)c(OC)c1 ZINC001573336665 958520098 /nfs/dbraw/zinc/52/00/98/958520098.db2.gz GMOOGPZEEHAUHU-QGZVFWFLSA-N -1 0 380.400 3.049 20 30 GGEDRM C=CCn1ncc2ccc(NC(=O)NC[C@@](C)(C(=O)[O-])c3ccccc3)cc21 ZINC001588474437 958557160 /nfs/dbraw/zinc/55/71/60/958557160.db2.gz JNYVGTABQVRCTH-OAQYLSRUSA-N -1 0 378.432 3.386 20 30 GGEDRM C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC001573362341 958598373 /nfs/dbraw/zinc/59/83/73/958598373.db2.gz ACPYEFSFZIXAPA-QRWLVFNGSA-N -1 0 395.434 3.145 20 30 GGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)NCCc1cc(F)cc(OCc2ccccc2)c1 ZINC001573362453 958598421 /nfs/dbraw/zinc/59/84/21/958598421.db2.gz BLQNCUJQLRMTSC-OAQYLSRUSA-N -1 0 384.407 3.068 20 30 GGEDRM CC(C)(C)CC[C@H](NC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)C(=O)[O-] ZINC001573395438 958715129 /nfs/dbraw/zinc/71/51/29/958715129.db2.gz NDCIZULECAKXKT-AWEZNQCLSA-N -1 0 387.415 3.284 20 30 GGEDRM CC(C)(C)CN(CC(=O)[O-])CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC001573406225 958726784 /nfs/dbraw/zinc/72/67/84/958726784.db2.gz HWFULNMFPZCVNM-UHFFFAOYSA-N -1 0 377.510 3.260 20 30 GGEDRM Cc1cccc([C@@H](NC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)C(=O)[O-])c1 ZINC001594391651 958731550 /nfs/dbraw/zinc/73/15/50/958731550.db2.gz JFHPBXUEUZYMPU-HXUWFJFHSA-N -1 0 395.434 3.164 20 30 GGEDRM CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC001573436945 958806644 /nfs/dbraw/zinc/80/66/44/958806644.db2.gz FJJYUBGRAJWLDC-CVEARBPZSA-N -1 0 395.500 3.210 20 30 GGEDRM Cc1cccc(N(CCC#N)C(=O)CN2Cc3ccccc3[C@H](C(=O)[O-])C2)c1C ZINC001594404725 958893259 /nfs/dbraw/zinc/89/32/59/958893259.db2.gz BJFCESMQRVOACN-HXUWFJFHSA-N -1 0 391.471 3.234 20 30 GGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC(F)(c2ccccc2C(F)(F)F)CC1 ZINC001588534341 958920188 /nfs/dbraw/zinc/92/01/88/958920188.db2.gz FHJZLSHOQFTOOQ-INIZCTEOSA-N -1 0 386.345 3.497 20 30 GGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N1CC=C(c2cccc(Br)c2)CC1 ZINC001588535073 958927308 /nfs/dbraw/zinc/92/73/08/958927308.db2.gz MHSOHOMKBYJQAI-QGZVFWFLSA-N -1 0 377.238 3.069 20 30 GGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@H]1CCCSc2ccc(Br)cc21 ZINC001588537906 958935398 /nfs/dbraw/zinc/93/53/98/958935398.db2.gz AGASSTGBQKATNN-LRDDRELGSA-N -1 0 397.294 3.497 20 30 GGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1nnc(Cc2ccc(C(F)(F)F)cc2)s1 ZINC001588539917 958955416 /nfs/dbraw/zinc/95/54/16/958955416.db2.gz GBOJAIITSNGTDC-OAHLLOKOSA-N -1 0 398.366 3.091 20 30 GGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1nc2c(cc(F)cc2Br)s1 ZINC001588539909 958955543 /nfs/dbraw/zinc/95/55/43/958955543.db2.gz FQIZKHADHBUYBK-ZDUSSCGKSA-N -1 0 386.202 3.141 20 30 GGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1cc(C(F)(F)F)ccc1Br ZINC001588541394 958961920 /nfs/dbraw/zinc/96/19/20/958961920.db2.gz ASYHTJHIWNSIOR-LBPRGKRZSA-N -1 0 379.132 3.411 20 30 GGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1cc(OC(F)(F)F)ccc1Br ZINC001588542328 958971195 /nfs/dbraw/zinc/97/11/95/958971195.db2.gz XKWXCMKURFYXCC-GFCCVEGCSA-N -1 0 395.131 3.291 20 30 GGEDRM C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccc(C(=O)[O-])cn1 ZINC001588543508 958979667 /nfs/dbraw/zinc/97/96/67/958979667.db2.gz MYMBXCUTLPGKQQ-NSHDSACASA-N -1 0 377.322 3.353 20 30 GGEDRM C[C@@H](C#N)CSc1ccccc1NC(=O)CN1[C@H](C)CCC[C@@H]1C(=O)[O-] ZINC001588543689 958983277 /nfs/dbraw/zinc/98/32/77/958983277.db2.gz QEBPNPWQDRTMLW-SQWLQELKSA-N -1 0 375.494 3.204 20 30 GGEDRM C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC001588545164 958994111 /nfs/dbraw/zinc/99/41/11/958994111.db2.gz OMHBAZUEDJOYQZ-OXJNMPFZSA-N -1 0 377.444 3.006 20 30 GGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)NCC1(c2ccc(Br)cc2)CCCC1 ZINC001588557231 959066228 /nfs/dbraw/zinc/06/62/28/959066228.db2.gz HHKZNIFMKIHDQJ-QGZVFWFLSA-N -1 0 393.281 3.382 20 30 GGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)NCC1(c2cccc(OC(F)(F)F)c2)CCC1 ZINC001588557706 959072221 /nfs/dbraw/zinc/07/22/21/959072221.db2.gz KDSHOTPMLSNVOJ-INIZCTEOSA-N -1 0 384.354 3.128 20 30 GGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)NCc1cc(C(F)(F)F)ccc1Br ZINC001588558394 959085601 /nfs/dbraw/zinc/08/56/01/959085601.db2.gz SAAKLIVWWJPFHK-CYBMUJFWSA-N -1 0 393.159 3.089 20 30 GGEDRM C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCC[C@H](CCC(=O)[O-])C1 ZINC001588563327 959110909 /nfs/dbraw/zinc/11/09/09/959110909.db2.gz QHPLZRQUEGVLNI-CHWSQXEVSA-N -1 0 375.494 3.012 20 30 GGEDRM CC(C)[C@H](NC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1)C(=O)[O-] ZINC001573558465 959260734 /nfs/dbraw/zinc/26/07/34/959260734.db2.gz NCUBENXPUQLUTL-KRWDZBQOSA-N -1 0 383.452 3.272 20 30 GGEDRM C[C@H](CC#N)Sc1ccccc1NC(=O)CN1C[C@H](C(=O)[O-])CC[C@H]1C ZINC001573577640 959337952 /nfs/dbraw/zinc/33/79/52/959337952.db2.gz XRPJHIPPAZNIIF-RBSFLKMASA-N -1 0 375.494 3.204 20 30 GGEDRM Cc1c(C#N)cccc1NS(=O)(=O)c1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC000178912031 959432206 /nfs/dbraw/zinc/43/22/06/959432206.db2.gz OINLUSBUEJXNOX-UHFFFAOYSA-N -1 0 384.335 3.385 20 30 GGEDRM Cc1nc(SCC(=O)N[C@@H](C(=O)[O-])c2ccc(F)cc2)c(C#N)c(C)c1C ZINC001594460904 959458562 /nfs/dbraw/zinc/45/85/62/959458562.db2.gz QDWHMIUXRCLYJK-QGZVFWFLSA-N -1 0 387.436 3.052 20 30 GGEDRM Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)CS[C@H](C)C(=O)[O-])c1C#N ZINC001594253393 959632258 /nfs/dbraw/zinc/63/22/58/959632258.db2.gz ZVKUKIKAHDJSBU-GFCCVEGCSA-N -1 0 375.425 3.250 20 30 GGEDRM Cc1c2cc(C#N)ccc2sc1C(=O)NC[C@@H]1CCC2(CC(C(=O)[O-])C2)O1 ZINC001594256857 959659431 /nfs/dbraw/zinc/65/94/31/959659431.db2.gz RHLPCJMXMJTHQS-DMAKZNTKSA-N -1 0 384.457 3.224 20 30 GGEDRM CC(C)(C)CNC(=O)c1ccc(Cl)c(NC(=O)[C@@](C)(C#N)CC(=O)[O-])c1 ZINC001588657948 960418936 /nfs/dbraw/zinc/41/89/36/960418936.db2.gz CQQYPHFXNQSCKD-GOSISDBHSA-N -1 0 379.844 3.059 20 30 GGEDRM CSc1ccc(CNC(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)cc1C#N ZINC001574257652 960547219 /nfs/dbraw/zinc/54/72/19/960547219.db2.gz SYOVSZMIZJSLTP-IRXDYDNUSA-N -1 0 381.457 3.393 20 30 GGEDRM C[C@H](NS(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F)c1cccc(C#N)c1 ZINC001259222473 960687104 /nfs/dbraw/zinc/68/71/04/960687104.db2.gz UTRHVXJNBHNBBQ-VIFPVBQESA-N -1 0 382.800 3.088 20 30 GGEDRM CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)NC1(CC(=O)[O-])CCCCC1 ZINC001588705766 960837462 /nfs/dbraw/zinc/83/74/62/960837462.db2.gz CSQQGLUDGYCWPM-OAHLLOKOSA-N -1 0 395.500 3.257 20 30 GGEDRM N#Cc1ccccc1CSCCNC(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC001263061596 960858254 /nfs/dbraw/zinc/85/82/54/960858254.db2.gz WTYDIBRCRPTJER-OAHLLOKOSA-N -1 0 375.494 3.078 20 30 GGEDRM Cc1cc(NC(=O)NC2CCC(Oc3ncccc3C#N)CC2)ccc1C(=O)[O-] ZINC001574338475 960927975 /nfs/dbraw/zinc/92/79/75/960927975.db2.gz WFKDIYSDKBGVLC-UHFFFAOYSA-N -1 0 394.431 3.472 20 30 GGEDRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC001573818377 960928381 /nfs/dbraw/zinc/92/83/81/960928381.db2.gz BGDPISBHKJCNDY-GOSISDBHSA-N -1 0 382.382 3.343 20 30 GGEDRM Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@@]1(C(=O)[O-])CCCO1 ZINC001574343301 960951066 /nfs/dbraw/zinc/95/10/66/960951066.db2.gz OJBWBZFPQSXPFA-OAQYLSRUSA-N -1 0 380.400 3.018 20 30 GGEDRM O=C([O-])c1cc(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)cc([N+](=O)[O-])c1 ZINC000237977631 961061826 /nfs/dbraw/zinc/06/18/26/961061826.db2.gz RCPNKSAQWFYINJ-UHFFFAOYSA-N -1 0 392.289 3.093 20 30 GGEDRM CCCc1c(NC(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)cnn1-c1cccc(C#N)c1 ZINC001573865377 961191008 /nfs/dbraw/zinc/19/10/08/961191008.db2.gz YYUKCDUWYGHNGX-UGSOOPFHSA-N -1 0 383.452 3.317 20 30 GGEDRM Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001574444110 961440479 /nfs/dbraw/zinc/44/04/79/961440479.db2.gz RPWZDPBXQDZENQ-NVXWUHKLSA-N -1 0 375.384 3.293 20 30 GGEDRM Cn1nc(C(=O)[O-])cc1C(=O)Nc1sc2c(c1C#N)-c1ccccc1CC2 ZINC001574466860 961576723 /nfs/dbraw/zinc/57/67/23/961576723.db2.gz ITDHZYIQMGDNEP-UHFFFAOYSA-N -1 0 378.413 3.069 20 30 GGEDRM Cn1nc(C(=O)[O-])cc1C(=O)OCc1ccccc1Oc1ccccc1C#N ZINC001574467130 961581564 /nfs/dbraw/zinc/58/15/64/961581564.db2.gz RSKZKCLYVIWMRI-UHFFFAOYSA-N -1 0 377.356 3.139 20 30 GGEDRM N#C[C@H](NC(=O)c1coc(/C=C\C(=O)[O-])c1)c1ccccc1Br ZINC001574473791 961634271 /nfs/dbraw/zinc/63/42/71/961634271.db2.gz CSMLJZWCWYAATR-GXMNPTEKSA-N -1 0 375.178 3.135 20 30 GGEDRM N#C[C@H](NC(=O)/C=C/c1ccc(C(=O)[O-])o1)c1ccccc1Br ZINC001574474611 961641326 /nfs/dbraw/zinc/64/13/26/961641326.db2.gz QAWIUZPUPKNZTE-CFNZNRNTSA-N -1 0 375.178 3.135 20 30 GGEDRM N#C[C@@H](NC(=O)/C=C\c1ccc(C(=O)[O-])o1)c1ccccc1Br ZINC001574474615 961641407 /nfs/dbraw/zinc/64/14/07/961641407.db2.gz QAWIUZPUPKNZTE-FWPCIQOSSA-N -1 0 375.178 3.135 20 30 GGEDRM N#CCn1c(C(=O)Nc2sc3c(c2C(=O)[O-])CCOC3)cc2ccccc21 ZINC001574479136 961647438 /nfs/dbraw/zinc/64/74/38/961647438.db2.gz DTNVKGDQDCDRPI-UHFFFAOYSA-N -1 0 381.413 3.250 20 30 GGEDRM N#Cc1c(Br)cccc1OCC(=O)Nc1sccc1C(=O)[O-] ZINC001574479258 961649036 /nfs/dbraw/zinc/64/90/36/961649036.db2.gz HFFOUGHLXPXCAZ-UHFFFAOYSA-N -1 0 381.207 3.098 20 30 GGEDRM N#Cc1cc(NC(=O)COCC(=O)[O-])ccc1Oc1ccc(C(F)(F)F)cc1 ZINC001574485321 961676253 /nfs/dbraw/zinc/67/62/53/961676253.db2.gz FPLLVZAVDYGTIU-UHFFFAOYSA-N -1 0 394.305 3.409 20 30 GGEDRM N#Cc1ccc(N2CCC(C(=O)N3CCC[C@H](CCC(=O)[O-])C3)CC2)c(F)c1 ZINC001574488237 961693318 /nfs/dbraw/zinc/69/33/18/961693318.db2.gz ONOSTNBBBDAJOC-OAHLLOKOSA-N -1 0 387.455 3.017 20 30 GGEDRM N#Cc1ccc(OC2CN(C(=O)Nc3ccc(F)c(C(=O)[O-])c3Cl)C2)cc1 ZINC001574488593 961697042 /nfs/dbraw/zinc/69/70/42/961697042.db2.gz SZQCEBXCEUBRBJ-UHFFFAOYSA-N -1 0 389.770 3.344 20 30 GGEDRM N#Cc1ccccc1CSCCNC(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC001574489134 961702963 /nfs/dbraw/zinc/70/29/63/961702963.db2.gz HKNQYAZUHKGGNO-IBGZPJMESA-N -1 0 395.484 3.185 20 30 GGEDRM N#Cc1cccc(COc2cccc(NC(=O)C3(CC(=O)[O-])CCOCC3)c2)c1 ZINC001574490044 961708931 /nfs/dbraw/zinc/70/89/31/961708931.db2.gz SIUBLXZEOTWUCI-UHFFFAOYSA-N -1 0 394.427 3.347 20 30 GGEDRM N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001343130969 962161972 /nfs/dbraw/zinc/16/19/72/962161972.db2.gz IHYOTZAMAAYZJO-ZCNNSNEGSA-N -1 0 375.428 3.055 20 30 GGEDRM C=CCOC[C@H](NC(=O)c1cc(NC(=O)CC(C)(C)C)ccc1Cl)C(=O)[O-] ZINC000263102775 962253990 /nfs/dbraw/zinc/25/39/90/962253990.db2.gz UGHFWZQUEGBVCE-HNNXBMFYSA-N -1 0 396.871 3.100 20 30 GGEDRM CCCc1c(NC(=O)N2CCC[C@H](C(=O)[O-])C2)cnn1-c1cccc(C#N)c1 ZINC000263140351 962293662 /nfs/dbraw/zinc/29/36/62/962293662.db2.gz ZNHZIOCVCKELSH-HNNXBMFYSA-N -1 0 381.436 3.025 20 30 GGEDRM C=CCc1cc(C(=O)NC[C@@](C)(C(=O)[O-])c2ccccc2)cc(OC)c1OC ZINC000263240650 962386035 /nfs/dbraw/zinc/38/60/35/962386035.db2.gz CFHPLIQGOUJTOF-JOCHJYFZSA-N -1 0 383.444 3.205 20 30 GGEDRM CO[C@@H](C(=O)[O-])C(=O)Nc1ccc(Sc2ccc(Cl)cc2C#N)cc1 ZINC001574106126 962438985 /nfs/dbraw/zinc/43/89/85/962438985.db2.gz SLOLYZWVEOCMEP-OAHLLOKOSA-N -1 0 376.821 3.401 20 30 GGEDRM C#CCN(CC#CC)Cc1cn(-c2ccc(Cl)c(Cl)c2)nc1C(=O)[O-] ZINC001573301640 962631852 /nfs/dbraw/zinc/63/18/52/962631852.db2.gz HNTXUPBWMSNLCM-UHFFFAOYSA-N -1 0 376.243 3.336 20 30 GGEDRM C#CCCOc1ccc(C(=O)Nc2cc3c(cc2C(=O)[O-])OCCCO3)cc1 ZINC001573301626 962632440 /nfs/dbraw/zinc/63/24/40/962632440.db2.gz HKICZFTXTHNAFB-UHFFFAOYSA-N -1 0 381.384 3.201 20 30 GGEDRM C#CCCCn1c(-c2cccc3cccnc32)nnc1N1CCC[C@@H](C(=O)[O-])C1 ZINC001573301775 962635952 /nfs/dbraw/zinc/63/59/52/962635952.db2.gz JWWSIWHOQPSYJC-QGZVFWFLSA-N -1 0 389.459 3.208 20 30 GGEDRM C#CCN(C(=O)Nc1nc2n(c1C(=O)[O-])CCC2)[C@H]1CCCc2ccccc21 ZINC001573302744 962661340 /nfs/dbraw/zinc/66/13/40/962661340.db2.gz ZQWVJUSQUSDKLU-INIZCTEOSA-N -1 0 378.432 3.072 20 30 GGEDRM C#C[C@@H](NC(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1)[C@H]1CCCO1 ZINC001573303008 962668610 /nfs/dbraw/zinc/66/86/10/962668610.db2.gz TWXTWNKFIHLQIW-NHCUHLMSSA-N -1 0 388.423 3.087 20 30 GGEDRM C#CC[C@@H](NC(=O)c1ccccc1-c1ncc(-c2ccccc2F)o1)C(=O)[O-] ZINC001573304208 962686377 /nfs/dbraw/zinc/68/63/77/962686377.db2.gz ZSBRIJDGIPMKJO-QGZVFWFLSA-N -1 0 378.359 3.354 20 30 GGEDRM C#C[C@H]1CC[C@H](NS(=O)(=O)c2c(Cl)cc(Cl)cc2C(=O)[O-])CC1 ZINC001573311599 962708006 /nfs/dbraw/zinc/70/80/06/962708006.db2.gz COCBSSBNPCCEPL-HOMQSWHASA-N -1 0 376.261 3.162 20 30 GGEDRM COCCOc1ccc(C#N)cc1NC(=O)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001574164127 962717167 /nfs/dbraw/zinc/71/71/67/962717167.db2.gz FUZLNINDJMXVRE-IRXDYDNUSA-N -1 0 395.415 3.018 20 30 GGEDRM COCCOc1ccc(C#N)cc1NCc1ccc(N2CCC(C(=O)[O-])CC2)o1 ZINC001574164399 962724064 /nfs/dbraw/zinc/72/40/64/962724064.db2.gz LNNFOKCIBCJJBP-UHFFFAOYSA-N -1 0 399.447 3.090 20 30 GGEDRM C=C(C)C[C@@H](NC(=O)C[C@@H](NC(=O)c1ccc(C)cc1)c1ccccc1)C(=O)[O-] ZINC001573319813 962746963 /nfs/dbraw/zinc/74/69/63/962746963.db2.gz ATENHYXXOZPQAE-WOJBJXKFSA-N -1 0 394.471 3.392 20 30 GGEDRM C=C(C)[C@@H](CC(=O)N[C@H](C(=O)[O-])c1ccccc1OC(F)(F)F)OCC ZINC001573322357 962767024 /nfs/dbraw/zinc/76/70/24/962767024.db2.gz XELWSIARFWWXAJ-HIFRSBDPSA-N -1 0 375.343 3.198 20 30 GGEDRM C=C(C)[C@H](CC(=O)N[C@H](C(=O)[O-])c1ccccc1OC(F)(F)F)OCC ZINC001573322360 962767466 /nfs/dbraw/zinc/76/74/66/962767466.db2.gz XELWSIARFWWXAJ-ZFWWWQNUSA-N -1 0 375.343 3.198 20 30 GGEDRM C=C(C)C[C@@H](NS(=O)(=O)c1ccc2nc(C(C)(C)C)sc2c1)C(=O)[O-] ZINC001573324218 962783136 /nfs/dbraw/zinc/78/31/36/962783136.db2.gz OZKBEHVMNVWXMN-CYBMUJFWSA-N -1 0 382.507 3.292 20 30 GGEDRM C=C(C)C[C@@H](NC(=O)c1csc(-c2cnn(-c3ccccc3)c2)n1)C(=O)[O-] ZINC001573324347 962783233 /nfs/dbraw/zinc/78/32/33/962783233.db2.gz PSXVYOMIMNTDQD-OAHLLOKOSA-N -1 0 382.445 3.145 20 30 GGEDRM COc1cc(CN(C)C(=O)[C@@](C)(C#N)CC(=O)[O-])ccc1OCc1ccccc1 ZINC001574181823 962813551 /nfs/dbraw/zinc/81/35/51/962813551.db2.gz IJJXSESWQTWCLJ-JOCHJYFZSA-N -1 0 396.443 3.237 20 30 GGEDRM C=C(CCC(=O)[O-])C(=O)Nc1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1 ZINC001573336949 962862779 /nfs/dbraw/zinc/86/27/79/962862779.db2.gz IVAREZFVVBLDFF-UHFFFAOYSA-N -1 0 388.445 3.155 20 30 GGEDRM C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C(=O)[O-])cc1OC ZINC001573338439 962873243 /nfs/dbraw/zinc/87/32/43/962873243.db2.gz AYPMWSSKFAUWKX-CYBMUJFWSA-N -1 0 398.843 3.368 20 30 GGEDRM C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC001573339590 962890571 /nfs/dbraw/zinc/89/05/71/962890571.db2.gz UDNSLKNYQJOZNT-ZDUSSCGKSA-N -1 0 386.807 3.498 20 30 GGEDRM C=C(Cl)Cn1c(-c2ccc3ccccc3n2)nnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001573343210 962902800 /nfs/dbraw/zinc/90/28/00/962902800.db2.gz BLQCRLFNNIYEBB-CQSZACIVSA-N -1 0 383.839 3.157 20 30 GGEDRM C=C1CCN(c2nnc([C@@H]3CCCCO3)n2CC2CCN(C(=O)[O-])CC2)CC1 ZINC001573344366 962916368 /nfs/dbraw/zinc/91/63/68/962916368.db2.gz VBXIXDCQDMZWDV-KRWDZBQOSA-N -1 0 389.500 3.066 20 30 GGEDRM C=CC[C@@H]1N(S(=O)(=O)c2ccc(OC)cc2CC(=O)[O-])CCCC1(C)C ZINC001573352441 962986301 /nfs/dbraw/zinc/98/63/01/962986301.db2.gz BXDAXZDGXKCOJK-KRWDZBQOSA-N -1 0 381.494 3.078 20 30 GGEDRM C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1(CC(=O)[O-])CCCC1 ZINC001573356638 963008894 /nfs/dbraw/zinc/00/88/94/963008894.db2.gz FLJGPMZDVUKTQC-OAHLLOKOSA-N -1 0 382.501 3.387 20 30 GGEDRM C=CCCC[C@H](NC(=O)[C@@H](NC(=O)c1ccccc1)c1ccccc1)C(=O)[O-] ZINC001573356733 963009027 /nfs/dbraw/zinc/00/90/27/963009027.db2.gz GIJOPRRHDRQROH-OALUTQOASA-N -1 0 380.444 3.083 20 30 GGEDRM C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C(=O)[O-])c1cccs1 ZINC001573357251 963014681 /nfs/dbraw/zinc/01/46/81/963014681.db2.gz KOAXFOFDJROMIB-OCCSQVGLSA-N -1 0 382.482 3.240 20 30 GGEDRM C=CCCC[C@@H](NC(=O)COc1ccc(Br)cc1Cl)C(=O)[O-] ZINC001573357697 963020076 /nfs/dbraw/zinc/02/00/76/963020076.db2.gz QXZBOGMTPCOBGA-GFCCVEGCSA-N -1 0 390.661 3.407 20 30 GGEDRM C=CCCn1cc(C(=O)Nc2cccc(C#Cc3cccc(C(=O)[O-])c3)c2)nn1 ZINC001573359981 963028906 /nfs/dbraw/zinc/02/89/06/963028906.db2.gz BXTBEHUUMQSQBF-UHFFFAOYSA-N -1 0 386.411 3.205 20 30 GGEDRM C=CCCc1ccc(S(=O)(=O)N[C@H](C)[C@@H](Cc2ccccc2)C(=O)[O-])cc1 ZINC001573360066 963032554 /nfs/dbraw/zinc/03/25/54/963032554.db2.gz FRSZZDGGQFHAPH-OXQOHEQNSA-N -1 0 387.501 3.416 20 30 GGEDRM C=CCCc1ccc(S(=O)(=O)Oc2cccc(C(=O)[O-])c2[N+](=O)[O-])cc1 ZINC001573360748 963043345 /nfs/dbraw/zinc/04/33/45/963043345.db2.gz WRJXABRZGDXUBV-UHFFFAOYSA-N -1 0 377.374 3.179 20 30 GGEDRM C=CCCC[C@@H](NS(=O)(=O)c1ccc(Br)c(Cl)c1)C(=O)[O-] ZINC001573366122 963058335 /nfs/dbraw/zinc/05/83/35/963058335.db2.gz JXYIVVDCPFMEAD-GFCCVEGCSA-N -1 0 396.690 3.190 20 30 GGEDRM C=CCCC[C@H](NC(=O)c1cccc(-c2noc(C(F)(F)F)n2)c1)C(=O)[O-] ZINC001573366706 963061723 /nfs/dbraw/zinc/06/17/23/963061723.db2.gz OWHQAHINNKRAOX-LBPRGKRZSA-N -1 0 383.326 3.295 20 30 GGEDRM C=CCCC[C@@H](NC(=O)c1cccc(-c2noc(C(F)(F)F)n2)c1)C(=O)[O-] ZINC001573366705 963061765 /nfs/dbraw/zinc/06/17/65/963061765.db2.gz OWHQAHINNKRAOX-GFCCVEGCSA-N -1 0 383.326 3.295 20 30 GGEDRM C=CCCC[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)C(=O)[O-] ZINC001573367445 963065588 /nfs/dbraw/zinc/06/55/88/963065588.db2.gz WBDFVLZBCILLPI-JTQLQIEISA-N -1 0 389.177 3.036 20 30 GGEDRM C=CCCC[C@H](NC(=O)c1nn(-c2ccccc2)cc1Br)C(=O)[O-] ZINC001573367574 963067487 /nfs/dbraw/zinc/06/74/87/963067487.db2.gz XWLUIVLGGGTOAK-AWEZNQCLSA-N -1 0 392.253 3.174 20 30 GGEDRM C=CCN(CC=C)c1nnc(-c2cnccn2)n1Cc1cccc(NC(=O)[O-])c1 ZINC001573368296 963078453 /nfs/dbraw/zinc/07/84/53/963078453.db2.gz LUHYRLLNIOJUEW-UHFFFAOYSA-N -1 0 391.435 3.052 20 30 GGEDRM C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](C(=O)[O-])C1 ZINC001588446171 964068034 /nfs/dbraw/zinc/06/80/34/964068034.db2.gz CACBRQVMRSHDPI-HNNXBMFYSA-N -1 0 387.871 3.098 20 30 GGEDRM C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](C(=O)[O-])C1 ZINC001588446172 964068163 /nfs/dbraw/zinc/06/81/63/964068163.db2.gz CACBRQVMRSHDPI-OAHLLOKOSA-N -1 0 387.871 3.098 20 30 GGEDRM C#CCCCCn1c(-c2c[nH]c3ccccc32)nnc1N1CC[C@H](C(=O)[O-])C1 ZINC001588446575 964076383 /nfs/dbraw/zinc/07/63/83/964076383.db2.gz PVVVBTWNSGTLQG-HNNXBMFYSA-N -1 0 377.448 3.141 20 30 GGEDRM C#CCCCCn1c(-c2ccccc2OC)nnc1N1CCC[C@H](C(=O)[O-])C1 ZINC001588446715 964078061 /nfs/dbraw/zinc/07/80/61/964078061.db2.gz WUMDVFBXJZDDKR-INIZCTEOSA-N -1 0 382.464 3.058 20 30 GGEDRM C#CCCN(CC(F)(F)F)S(=O)(=O)c1ccc(C(=O)[O-])c2ccccc21 ZINC001588447003 964081816 /nfs/dbraw/zinc/08/18/16/964081816.db2.gz BYRAAQMXNGFMFY-UHFFFAOYSA-N -1 0 385.363 3.114 20 30 GGEDRM C#CCCCn1c(COc2cc(C)ccc2C)nnc1N1CCC(C(=O)[O-])CC1 ZINC001588447868 964091208 /nfs/dbraw/zinc/09/12/08/964091208.db2.gz RCMUBVWGDDHZCG-UHFFFAOYSA-N -1 0 396.491 3.188 20 30 GGEDRM C#CCCN(CCOC)C(=O)Nc1c(OCc2ccccc2)cccc1C(=O)[O-] ZINC001588447903 964091938 /nfs/dbraw/zinc/09/19/38/964091938.db2.gz SNHGBSNAVIMGNR-UHFFFAOYSA-N -1 0 396.443 3.467 20 30 GGEDRM C#CCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC[C@@H](C(=O)[O-])C1 ZINC001588448157 964094405 /nfs/dbraw/zinc/09/44/05/964094405.db2.gz XOKIWMCGVRJQRE-GOSISDBHSA-N -1 0 396.491 3.188 20 30 GGEDRM C=CCc1ccc(OCC(=O)N2Cc3ccccc3[C@H](C(=O)[O-])C2)c(OC)c1 ZINC000262212066 967814268 /nfs/dbraw/zinc/81/42/68/967814268.db2.gz PXWSUSFPDMYKIR-GOSISDBHSA-N -1 0 381.428 3.013 20 30 GGEDRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)C1 ZINC000263135039 967851814 /nfs/dbraw/zinc/85/18/14/967851814.db2.gz NOIGUKTVXOEMLU-ZIAGYGMSSA-N -1 0 380.404 3.320 20 30 GGEDRM CC(C)(CCC(=O)[O-])NC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N ZINC000417768424 968346643 /nfs/dbraw/zinc/34/66/43/968346643.db2.gz FJJHSUDNWXNQKL-UHFFFAOYSA-N -1 0 386.452 3.034 20 30 GGEDRM CC(C)(C)Oc1ccc(NC(=O)N(CCC(=O)[O-])C2CCOCC2)cc1C#N ZINC000519763780 968393046 /nfs/dbraw/zinc/39/30/46/968393046.db2.gz BGMNOQKNJWFNKA-UHFFFAOYSA-N -1 0 389.452 3.223 20 30 GGEDRM CC[C@]1(C(=O)[O-])CCCN(C(=O)N[C@@H](c2cccc(C#N)c2)C(F)(F)F)C1 ZINC000926190715 969659274 /nfs/dbraw/zinc/65/92/74/969659274.db2.gz ZBPLDUKGSYRXAY-YOEHRIQHSA-N -1 0 383.370 3.448 20 30 GGEDRM N#CCc1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2Br)cc1 ZINC000320739457 970709718 /nfs/dbraw/zinc/70/97/18/970709718.db2.gz AJHKYBGRUPTXIF-UHFFFAOYSA-N -1 0 395.234 3.014 20 30 GGEDRM N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)c2cnc(C(=O)[O-])cn2)cc1 ZINC001610627990 970757385 /nfs/dbraw/zinc/75/73/85/970757385.db2.gz LDPORIXPULYHRM-UHFFFAOYSA-N -1 0 390.374 3.028 20 30 GGEDRM Cc1c(NC(=O)C2(C(=O)[O-])CCSCC2)ccc(Br)c1C#N ZINC001605085066 972732390 /nfs/dbraw/zinc/73/23/90/972732390.db2.gz VEVGJJVVUVNHFK-UHFFFAOYSA-N -1 0 383.267 3.166 20 30 GGEDRM Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)c1cnc(C(=O)[O-])cn1 ZINC001605179514 972894748 /nfs/dbraw/zinc/89/47/48/972894748.db2.gz KZZZFKMUIGRURK-UHFFFAOYSA-N -1 0 390.374 3.341 20 30 GGEDRM C[C@@H]1C[C@H](c2ccc(Br)cc2)CN1C(=O)[C@@](C)(C#N)CC(=O)[O-] ZINC001603380120 972944857 /nfs/dbraw/zinc/94/48/57/972944857.db2.gz JSMHYAQBGOWNDM-BTJLNZGRSA-N -1 0 379.254 3.158 20 30 GGEDRM Cc1cc(Oc2ccccc2C#N)ncc1NC(=O)[C@@H]1CO[C@@H](CCC(=O)[O-])C1 ZINC001605219596 972967234 /nfs/dbraw/zinc/96/72/34/972967234.db2.gz JTFHTKOJROROHP-HOTGVXAUSA-N -1 0 395.415 3.262 20 30 GGEDRM Cc1cc(Oc2ccccc2C#N)ncc1NC(=O)[C@@H]1CO[C@H](CCC(=O)[O-])C1 ZINC001605219598 972967541 /nfs/dbraw/zinc/96/75/41/972967541.db2.gz JTFHTKOJROROHP-JKSUJKDBSA-N -1 0 395.415 3.262 20 30 GGEDRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC001603388915 972995891 /nfs/dbraw/zinc/99/58/91/972995891.db2.gz SXXLQWAFJOUMGM-DNVCBOLYSA-N -1 0 378.428 3.463 20 30 GGEDRM C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC001603388916 972996344 /nfs/dbraw/zinc/99/63/44/972996344.db2.gz SXXLQWAFJOUMGM-HNAYVOBHSA-N -1 0 378.428 3.463 20 30 GGEDRM Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N2Cc3ccccc3[C@@H](C(=O)[O-])C2)cc1 ZINC001605284571 973082337 /nfs/dbraw/zinc/08/23/37/973082337.db2.gz JDSFZGWMMSPEAJ-UTKZUKDTSA-N -1 0 391.471 3.314 20 30 GGEDRM C[C@@H]1CCCN(C(=O)c2cccc(COc3ccc(C#N)cc3)c2)[C@H]1C(=O)[O-] ZINC001603410405 973089049 /nfs/dbraw/zinc/08/90/49/973089049.db2.gz SCEKMTDLRYXDED-FOIQADDNSA-N -1 0 378.428 3.463 20 30 GGEDRM C[C@H]1CCCN(C(=O)c2cccc(COc3ccc(C#N)cc3)c2)[C@H]1C(=O)[O-] ZINC001603410407 973089316 /nfs/dbraw/zinc/08/93/16/973089316.db2.gz SCEKMTDLRYXDED-MGPUTAFESA-N -1 0 378.428 3.463 20 30 GGEDRM COC[C@@]1(C(=O)[O-])CCN(C(=O)Nc2ccccc2S[C@H](C)CC#N)C1 ZINC001604533826 973495305 /nfs/dbraw/zinc/49/53/05/973495305.db2.gz LTESXOGLNPBNKY-FZKQIMNGSA-N -1 0 377.466 3.036 20 30 GGEDRM COC[C@]1(C(=O)[O-])CCN(C(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)C1 ZINC001604536031 973510260 /nfs/dbraw/zinc/51/02/60/973510260.db2.gz UQDZGEXROYWXMS-QFIPXVFZSA-N -1 0 394.427 3.222 20 30 GGEDRM CC[C@]1(C(=O)[O-])CCCN(C(=O)c2occc2COc2cccc(C#N)c2)C1 ZINC001603609342 973875441 /nfs/dbraw/zinc/87/54/41/973875441.db2.gz IYXUUSAKAXGLLV-NRFANRHFSA-N -1 0 382.416 3.447 20 30 GGEDRM COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2cc(C(=O)[O-])nn2C)cc1 ZINC001604684845 973877598 /nfs/dbraw/zinc/87/75/98/973877598.db2.gz FEPLDWODBKTQPK-UHFFFAOYSA-N -1 0 392.371 3.043 20 30 GGEDRM N#Cc1c(NC(=O)[C@H]2CO[C@H](CCC(=O)[O-])C2)sc2c1CCCCCC2 ZINC001605590958 973886096 /nfs/dbraw/zinc/88/60/96/973886096.db2.gz PHQRSWKDUGTUFJ-CHWSQXEVSA-N -1 0 376.478 3.487 20 30 GGEDRM N#Cc1cc2ccccc2cc1NC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)[O-])C1 ZINC001605597465 973899197 /nfs/dbraw/zinc/89/91/97/973899197.db2.gz SILZSEOHJASGDI-HXUWFJFHSA-N -1 0 384.395 3.369 20 30 GGEDRM N#Cc1cc(Oc2ccc(NC(=O)C3(C(=O)[O-])CCSCC3)cc2)ccn1 ZINC001605597489 973899245 /nfs/dbraw/zinc/89/92/45/973899245.db2.gz VNIMUAHVNKRBMB-UHFFFAOYSA-N -1 0 383.429 3.282 20 30 GGEDRM N#CCc1ccc(OCc2cccc(NC(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)c2)cc1 ZINC001605601235 973902261 /nfs/dbraw/zinc/90/22/61/973902261.db2.gz CWGZCZKMNVKSFW-MAEOIBBWSA-N -1 0 379.416 3.316 20 30 GGEDRM N#Cc1ccc(C[C@@H](C#N)C(=O)N2CCC(c3ccccc3C(=O)[O-])CC2)cc1 ZINC001605602288 973913362 /nfs/dbraw/zinc/91/33/62/973913362.db2.gz YEJSVQKYBZBOQF-IBGZPJMESA-N -1 0 387.439 3.345 20 30 GGEDRM N#Cc1ccc(N2CCN(C(=O)C3(C(=O)[O-])CCCCCC3)CC2)c(Cl)c1 ZINC001605611059 973913710 /nfs/dbraw/zinc/91/37/10/973913710.db2.gz AAXXEJGVYLIRNQ-UHFFFAOYSA-N -1 0 389.883 3.285 20 30 GGEDRM N#Cc1ccc(N2CCC[C@@H]2C(=O)N2CCCc3cc(C(=O)[O-])ccc32)cc1 ZINC001605611343 973919173 /nfs/dbraw/zinc/91/91/73/973919173.db2.gz TWXYSKXMXUZMSJ-HXUWFJFHSA-N -1 0 375.428 3.205 20 30 GGEDRM N#Cc1ccc(Oc2cccc(C(=O)N[C@H](Cc3ccncc3)C(=O)[O-])c2)cc1 ZINC001605611708 973922025 /nfs/dbraw/zinc/92/20/25/973922025.db2.gz DIFWEOXMDWIBOR-HXUWFJFHSA-N -1 0 387.395 3.171 20 30 GGEDRM N#Cc1ccc(NC(=O)c2cccc(OCC(=O)[O-])c2)cc1Br ZINC001605611994 973923118 /nfs/dbraw/zinc/92/31/18/973923118.db2.gz CSRQHHNUPRABEG-UHFFFAOYSA-N -1 0 375.178 3.036 20 30 GGEDRM N#Cc1cccc(OCC(=O)Nc2cc(C(=O)[O-])ccc2Br)c1 ZINC001605617667 973935782 /nfs/dbraw/zinc/93/57/82/973935782.db2.gz USSDGGKLGHSNLY-UHFFFAOYSA-N -1 0 375.178 3.036 20 30 GGEDRM N#Cc1cccc(C(=O)N2Cc3ccccc3[C@H](C(=O)[O-])C2)c1Br ZINC001605617629 973936450 /nfs/dbraw/zinc/93/64/50/973936450.db2.gz QONFKIDBTDCSDX-OAHLLOKOSA-N -1 0 385.217 3.145 20 30 GGEDRM N#Cc1cccc([C@H](NC(=O)N2CCC[C@@H](CCC(=O)[O-])C2)C(F)(F)F)c1 ZINC001605617862 973938614 /nfs/dbraw/zinc/93/86/14/973938614.db2.gz ZHTZZAAVAXXFLM-LRDDRELGSA-N -1 0 383.370 3.448 20 30 GGEDRM N#Cc1ccccc1N1CCCN(C(=O)Nc2cccc(CCC(=O)[O-])c2)CC1 ZINC001605619609 973938656 /nfs/dbraw/zinc/93/86/56/973938656.db2.gz AVSNYTJRGIXWHS-UHFFFAOYSA-N -1 0 392.459 3.320 20 30 GGEDRM N#Cc1cccc(Oc2ccc(NC(=O)c3ccc(OCC(=O)[O-])cc3)cn2)c1 ZINC001605619677 973938696 /nfs/dbraw/zinc/93/86/96/973938696.db2.gz FKBLYDAWEMYHNL-UHFFFAOYSA-N -1 0 389.367 3.461 20 30 GGEDRM N#Cc1cccc(OCCCCC(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)c1 ZINC001605619805 973939538 /nfs/dbraw/zinc/93/95/38/973939538.db2.gz HVEAWLUZXAQEAJ-LEWJYISDSA-N -1 0 392.455 3.434 20 30 GGEDRM CCCc1c(NC(=O)Nc2cncc(C(=O)[O-])c2)cnn1-c1cccc(C#N)c1 ZINC001603691940 974081545 /nfs/dbraw/zinc/08/15/45/974081545.db2.gz WEPKFDGDUJYRLZ-UHFFFAOYSA-N -1 0 390.403 3.434 20 30 GGEDRM CCCc1c(NC(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)cnn1-c1cccc(C#N)c1 ZINC001603692167 974084884 /nfs/dbraw/zinc/08/48/84/974084884.db2.gz PYPVNXONAFCOOX-RHSMWYFYSA-N -1 0 395.463 3.271 20 30 GGEDRM CCCc1c(NC(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)cnn1-c1cccc(C#N)c1 ZINC001603692169 974085317 /nfs/dbraw/zinc/08/53/17/974085317.db2.gz PYPVNXONAFCOOX-YOEHRIQHSA-N -1 0 395.463 3.271 20 30 GGEDRM CCN(C(=O)c1cc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])ccc1Cl)C(C)C ZINC001603715018 974130107 /nfs/dbraw/zinc/13/01/07/974130107.db2.gz DPQWWTIFBCUBBE-GOSISDBHSA-N -1 0 379.844 3.154 20 30 GGEDRM CCN(C(=O)c1cc(NC(=O)[C@](C)(C#N)CC(=O)[O-])ccc1Cl)C(C)C ZINC001603715021 974130316 /nfs/dbraw/zinc/13/03/16/974130316.db2.gz DPQWWTIFBCUBBE-SFHVURJKSA-N -1 0 379.844 3.154 20 30 GGEDRM C[C@H](NC(=O)CSCc1ccc(C#N)cc1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000455928489 974171453 /nfs/dbraw/zinc/17/14/53/974171453.db2.gz GXTJZYCUDQRFMR-HNAYVOBHSA-N -1 0 382.485 3.240 20 30 GGEDRM C=CCOc1cc(OC)ccc1C(=O)N[C@H](C)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000455930678 974172266 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ZINC000570737151 974717634 /nfs/dbraw/zinc/71/76/34/974717634.db2.gz AKNIEVYTIMOFRO-UHFFFAOYSA-N -1 0 395.396 3.245 20 30 GGEDRM C=CCc1cc(C(=O)N2CC[C@@](C(=O)[O-])(c3ccccc3)C2)cc(OC)c1OC ZINC000581431572 974910372 /nfs/dbraw/zinc/91/03/72/974910372.db2.gz NNXMRNBDNOEAHM-QHCPKHFHSA-N -1 0 395.455 3.301 20 30 GGEDRM CC(C)(C)c1ccc([C@H](CC(=O)[O-])NS(=O)(=O)c2ccsc2C#N)cc1 ZINC000593257360 974981613 /nfs/dbraw/zinc/98/16/13/974981613.db2.gz FHMQNZMMQUACDY-AWEZNQCLSA-N -1 0 392.502 3.412 20 30 GGEDRM Cc1nc(SCC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)c(C#N)c(C)c1C ZINC000609960501 975016939 /nfs/dbraw/zinc/01/69/39/975016939.db2.gz WZZHFOZMAJXNGD-XIRDDKMYSA-N -1 0 387.505 3.215 20 30 GGEDRM O=C([O-])[C@@]1(C(F)(F)F)CCN(C(=O)c2cccc(F)c2OC(F)(F)F)C1 ZINC000630186725 975147569 /nfs/dbraw/zinc/14/75/69/975147569.db2.gz XAZYIRINXHPBSZ-GFCCVEGCSA-N -1 0 389.223 3.204 20 30 GGEDRM C=CCc1ccc(OCC(=O)N2CCc3c(F)ccc(C(=O)[O-])c3C2)c(OC)c1 ZINC000630239244 975184273 /nfs/dbraw/zinc/18/42/73/975184273.db2.gz VXBXNISNYFWSAU-UHFFFAOYSA-N -1 0 399.418 3.225 20 30 GGEDRM C=C(C)C[C@@H](NC(=O)Cc1csc(COc2ccc(Cl)cc2)n1)C(=O)[O-] ZINC000630318882 975250356 /nfs/dbraw/zinc/25/03/56/975250356.db2.gz OAZKQBMRBDJKER-OAHLLOKOSA-N -1 0 394.880 3.454 20 30 GGEDRM C=C(C)C[C@H](NC(=O)c1nn(-c2ccc(Cl)c(F)c2)c2c1CCC2)C(=O)[O-] ZINC000630320900 975251379 /nfs/dbraw/zinc/25/13/79/975251379.db2.gz CHRMAVSCIDFFIK-HNNXBMFYSA-N -1 0 391.830 3.303 20 30 GGEDRM C=C(C)C[C@@H](NC(=O)CCCc1nc(-c2ccc(Cl)cc2)no1)C(=O)[O-] ZINC000630325763 975252647 /nfs/dbraw/zinc/25/26/47/975252647.db2.gz LHMOOJKNIFVNCN-CQSZACIVSA-N -1 0 377.828 3.248 20 30 GGEDRM CC(C)Oc1c(N[C@@H]2CCN(c3sccc3C#N)C2=O)cccc1C(=O)[O-] ZINC001591746643 975785732 /nfs/dbraw/zinc/78/57/32/975785732.db2.gz PKTXNTQYDXDMBG-OAHLLOKOSA-N -1 0 385.445 3.323 20 30 GGEDRM CC(C)Oc1c(N[C@H]2CCN(c3sccc3C#N)C2=O)cccc1C(=O)[O-] ZINC001591746642 975786082 /nfs/dbraw/zinc/78/60/82/975786082.db2.gz PKTXNTQYDXDMBG-HNNXBMFYSA-N -1 0 385.445 3.323 20 30 GGEDRM C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000662221972 975903784 /nfs/dbraw/zinc/90/37/84/975903784.db2.gz HSXCNSAJSGZEMH-DNVCBOLYSA-N -1 0 384.501 3.335 20 30 GGEDRM CC(C)Oc1ccc(NC(=O)N(C)Cc2ccc(OCC(=O)[O-])cc2)cc1C#N ZINC001591786305 975955387 /nfs/dbraw/zinc/95/53/87/975955387.db2.gz BDBBHMPWIDMUAE-UHFFFAOYSA-N -1 0 397.431 3.473 20 30 GGEDRM CC(C)Oc1ccc(NC(=O)N[C@](C)(CC(=O)[O-])c2ccccn2)cc1C#N ZINC001591786720 975959958 /nfs/dbraw/zinc/95/99/58/975959958.db2.gz OSIARKICQZZMFB-HXUWFJFHSA-N -1 0 382.420 3.252 20 30 GGEDRM CC(C)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)c(C(=O)[O-])c1 ZINC001591963066 976551633 /nfs/dbraw/zinc/55/16/33/976551633.db2.gz USRMFFFIKGAULS-INIZCTEOSA-N -1 0 391.427 3.371 20 30 GGEDRM CC(C)c1nc([C@@H]2NC(=S)NC(C(=O)[O-])=C2C(=O)c2cccs2)cs1 ZINC001592015190 976696596 /nfs/dbraw/zinc/69/65/96/976696596.db2.gz JMQIMQDSKAPRQC-NSHDSACASA-N -1 0 393.515 3.068 20 30 GGEDRM C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCc2[nH]nc(C(=O)[O-])c2C1 ZINC001592225690 977411948 /nfs/dbraw/zinc/41/19/48/977411948.db2.gz JMVVNRRGBDCXKD-LLVKDONJSA-N -1 0 385.449 3.092 20 30 GGEDRM C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001592225718 977412677 /nfs/dbraw/zinc/41/26/77/977412677.db2.gz LKWWQRYWMXCJIA-RRFJBIMHSA-N -1 0 375.494 3.062 20 30 GGEDRM C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CC[C@@H](C(=O)[O-])C[C@H]1C ZINC001592225721 977412778 /nfs/dbraw/zinc/41/27/78/977412778.db2.gz LQSWPKFAHKTEQQ-RBSFLKMASA-N -1 0 375.494 3.204 20 30 GGEDRM C[C@](CC(=O)[O-])(NC(=O)C#Cc1ccccc1)c1ccc(Br)cc1 ZINC001592277484 977554358 /nfs/dbraw/zinc/55/43/58/977554358.db2.gz CFEWUXIVKUDYFZ-LJQANCHMSA-N -1 0 386.245 3.307 20 30 GGEDRM C[C@H](CC(=O)[O-])CC(=O)O[C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC001592394663 977946632 /nfs/dbraw/zinc/94/66/32/977946632.db2.gz DGJVJASZAWPYLQ-VXGBXAGGSA-N -1 0 392.477 3.260 20 30 GGEDRM C[C@@H](CC(=O)[O-])CC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 ZINC001592396538 977959658 /nfs/dbraw/zinc/95/96/58/977959658.db2.gz WJQLVJIKHJNYOO-SNVBAGLBSA-N -1 0 376.463 3.141 20 30 GGEDRM O=C([O-])COc1ccc(/C=C\C(=O)c2ccc(S(=O)(=O)C(F)F)cc2)cc1 ZINC000735233014 978301597 /nfs/dbraw/zinc/30/15/97/978301597.db2.gz XYWUGYYHIVBODQ-KMKOMSMNSA-N -1 0 396.367 3.042 20 30 GGEDRM CC(C)C(CNC(=O)c1ccc([N+](=O)[O-])cc1)N=Nc1cccc(C(=O)[O-])c1 ZINC000734744539 978301655 /nfs/dbraw/zinc/30/16/55/978301655.db2.gz SJSAVMAHQPWXQH-UHFFFAOYSA-N -1 0 384.392 3.147 20 30 GGEDRM C=CCOc1ccc(/C=C/C(=O)N(C)c2nc(CC(=O)[O-])cs2)cc1OC ZINC000736114239 978303534 /nfs/dbraw/zinc/30/35/34/978303534.db2.gz PVLUUNMYUBPJRZ-SOFGYWHQSA-N -1 0 388.445 3.020 20 30 GGEDRM Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)S(=O)(=O)CCCC(=O)[O-] ZINC000738230420 978503701 /nfs/dbraw/zinc/50/37/01/978503701.db2.gz LHJBJYNFDSQVNH-UHFFFAOYSA-N -1 0 390.436 3.207 20 30 GGEDRM N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CCSC[C@H]2C(=O)[O-])cc1 ZINC000738424987 978536312 /nfs/dbraw/zinc/53/63/12/978536312.db2.gz ISCBUNPIZXPCEI-INIZCTEOSA-N -1 0 386.404 3.132 20 30 GGEDRM C[C@H](CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1C#N)C(=O)[O-] ZINC001592610097 978560118 /nfs/dbraw/zinc/56/01/18/978560118.db2.gz TYYNOIHSDRJQJA-CYBMUJFWSA-N -1 0 392.864 3.123 20 30 GGEDRM C#Cc1cccc(N(Cc2ccco2)S(=O)(=O)c2ccc(C(=O)[O-])cc2F)c1 ZINC000743256487 978677750 /nfs/dbraw/zinc/67/77/50/978677750.db2.gz CKEACPBXAKVOBO-UHFFFAOYSA-N -1 0 399.399 3.494 20 30 GGEDRM C=CCOc1ccc(/C=C/C(=O)Nc2cccc(OCC(=O)[O-])c2)cc1OC ZINC000746371381 978683984 /nfs/dbraw/zinc/68/39/84/978683984.db2.gz GWWQUFCOXCHLBR-CSKARUKUSA-N -1 0 383.400 3.375 20 30 GGEDRM C#Cc1cccc(N(C)S(=O)(=O)c2ccc(C(=O)[O-])c(C(F)(F)F)c2)c1 ZINC000754748558 978695784 /nfs/dbraw/zinc/69/57/84/978695784.db2.gz GLOXVZAKIIKKCC-UHFFFAOYSA-N -1 0 383.347 3.210 20 30 GGEDRM COc1ccc(C(C)N=Nc2ccc(C(=O)[O-])cc2OC)cc1Cn1cccn1 ZINC000756899034 978700479 /nfs/dbraw/zinc/70/04/79/978700479.db2.gz MNKLHBCCPDOIQY-UHFFFAOYSA-N -1 0 394.431 3.483 20 30 GGEDRM COc1cc(Br)c(C=NNc2ccc(C(=O)[O-])cc2OC)cc1O ZINC000756899126 978700635 /nfs/dbraw/zinc/70/06/35/978700635.db2.gz QYRDDHAYBXQCCW-UHFFFAOYSA-N -1 0 395.209 3.316 20 30 GGEDRM COc1cc(C(=O)[O-])ccc1[N-][NH+]=C(C)c1ccc(N2CCOCC2)c(F)c1 ZINC000756900802 978701133 /nfs/dbraw/zinc/70/11/33/978701133.db2.gz CBRISOUBSJLZFL-UHFFFAOYSA-N -1 0 387.411 3.205 20 30 GGEDRM COc1cc(C(=O)[O-])ccc1[N-][NH+]=Cc1c(Cl)cccc1N1CCOCC1 ZINC000756906046 978702159 /nfs/dbraw/zinc/70/21/59/978702159.db2.gz REMUVHBTKTVBOO-UHFFFAOYSA-N -1 0 389.839 3.329 20 30 GGEDRM COc1cc(C(=O)[O-])ccc1NN=Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000756906268 978702685 /nfs/dbraw/zinc/70/26/85/978702685.db2.gz XQRGXGBNOWJBQH-UHFFFAOYSA-N -1 0 395.375 3.148 20 30 GGEDRM C[C@H](NS(=O)(=O)c1ccc(C(=O)[O-])c(C(F)(F)F)c1)c1ccc(C#N)cc1 ZINC000761264056 978707486 /nfs/dbraw/zinc/70/74/86/978707486.db2.gz AAESLWNCLHJVRL-JTQLQIEISA-N -1 0 398.362 3.315 20 30 GGEDRM CCOc1cc(CN=Nc2ccc(C(=O)[O-])cn2)cc(Br)c1O ZINC000763368831 978721487 /nfs/dbraw/zinc/72/14/87/978721487.db2.gz ALZBMUOIIQNPQA-UHFFFAOYSA-N -1 0 380.198 3.093 20 30 GGEDRM O=C([O-])c1ccc(N=NC2CCCC[C@@H](N3C(=O)c4ccccc4C3=O)C2)nc1 ZINC000763370206 978722000 /nfs/dbraw/zinc/72/20/00/978722000.db2.gz MGNQIXPRGOLSAG-OAHLLOKOSA-N -1 0 392.415 3.177 20 30 GGEDRM COc1cc(C(=O)[O-])ccc1NN=Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000777890371 978781984 /nfs/dbraw/zinc/78/19/84/978781984.db2.gz QLVWWEGKZQKRAX-UHFFFAOYSA-N -1 0 375.388 3.112 20 30 GGEDRM Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(OC(C)C)c(C#N)c1 ZINC000793412808 978808403 /nfs/dbraw/zinc/80/84/03/978808403.db2.gz UYGULIIYXKVMDF-UHFFFAOYSA-N -1 0 392.408 3.292 20 30 GGEDRM C#CCOc1ccc(C(=O)N2C[C@@H](c3ccc(Cl)cc3)[C@H](C(=O)[O-])C2)cc1 ZINC000794001320 978811596 /nfs/dbraw/zinc/81/15/96/978811596.db2.gz CVHWMLLQGLKDIS-RBUKOAKNSA-N -1 0 383.831 3.292 20 30 GGEDRM O=C([O-])COc1ccc(/C=C\C(=O)c2nc(Br)ccc2F)cc1 ZINC000794970159 978830921 /nfs/dbraw/zinc/83/09/21/978830921.db2.gz LTYWBEDRHAJKPT-CLTKARDFSA-N -1 0 380.169 3.343 20 30 GGEDRM O=C([O-])COc1ccc(/C=C/C(=O)c2nc(Br)ccc2F)cc1 ZINC000794970160 978831033 /nfs/dbraw/zinc/83/10/33/978831033.db2.gz LTYWBEDRHAJKPT-XVNBXDOJSA-N -1 0 380.169 3.343 20 30 GGEDRM O=C([O-])c1ccc(N=NCC2CCN(C(=O)OCc3ccccc3)CC2)nc1 ZINC000797401984 978832762 /nfs/dbraw/zinc/83/27/62/978832762.db2.gz SRWQVQBFLOYIAK-UHFFFAOYSA-N -1 0 382.420 3.226 20 30 GGEDRM COc1ccccc1NC(=S)NN=Cc1cn(CC(=O)[O-])c2ccccc12 ZINC000799867695 978841773 /nfs/dbraw/zinc/84/17/73/978841773.db2.gz MYAHIYITPADRSU-UHFFFAOYSA-N -1 0 382.445 3.055 20 30 GGEDRM CN(N=Cc1cn(CC(=O)[O-])c2ccccc12)C(=S)NCc1ccccc1 ZINC000799869265 978842861 /nfs/dbraw/zinc/84/28/61/978842861.db2.gz OJQZHRMVJSHJDT-UHFFFAOYSA-N -1 0 380.473 3.066 20 30 GGEDRM Cc1cccc(C)c1OCC1N=NC(=S)N1N=Cc1cccc(C(=O)[O-])c1 ZINC000814780648 978884746 /nfs/dbraw/zinc/88/47/46/978884746.db2.gz CNQQHISNEYSPGT-UHFFFAOYSA-N -1 0 382.445 3.343 20 30 GGEDRM CCOc1ccccc1OCC1N=NC(=S)N1N=Cc1cccc(C(=O)[O-])c1 ZINC000814793173 978885977 /nfs/dbraw/zinc/88/59/77/978885977.db2.gz PJDPMSYHYXSEEL-UHFFFAOYSA-N -1 0 398.444 3.125 20 30 GGEDRM C[C@@H]1C(N=Nc2cc(C(F)(F)F)nc(-c3ccncc3)n2)CC[C@H]1CC(=O)[O-] ZINC000814853314 978893168 /nfs/dbraw/zinc/89/31/68/978893168.db2.gz CLVHAZBAEYZTQS-JQWIXIFHSA-N -1 0 393.369 3.268 20 30 GGEDRM O=C([O-])COc1ccc(CN=Nc2nnc(-c3ccccc3)s2)cc1[N+](=O)[O-] ZINC000814948800 978899394 /nfs/dbraw/zinc/89/93/94/978899394.db2.gz GCISNMSEWLHZRX-UHFFFAOYSA-N -1 0 399.388 3.023 20 30 GGEDRM C#CCN(C1CCCCC1)S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1OC ZINC000829074648 978993051 /nfs/dbraw/zinc/99/30/51/978993051.db2.gz ATBRVYLPPDPTOZ-UHFFFAOYSA-N -1 0 385.869 3.003 20 30 GGEDRM CCCCS(=O)(=O)Nc1ccc(N[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000829431262 978998803 /nfs/dbraw/zinc/99/88/03/978998803.db2.gz ZVHDOALHTWMEGT-GOSISDBHSA-N -1 0 387.461 3.338 20 30 GGEDRM Cc1nn(-c2ccc(C(=O)OCC3(CC#N)CC3)cc2)c(C)c1CCC(=O)[O-] ZINC000833012527 979068211 /nfs/dbraw/zinc/06/82/11/979068211.db2.gz HXKDHKSZMPLLIW-UHFFFAOYSA-N -1 0 381.432 3.357 20 30 GGEDRM N#CCCN(C(=O)CN1CCc2ccccc2[C@@H]1C(=O)[O-])c1cccc(Cl)c1 ZINC000833066011 979076659 /nfs/dbraw/zinc/07/66/59/979076659.db2.gz SAXAZRVALYCUGX-HXUWFJFHSA-N -1 0 397.862 3.271 20 30 GGEDRM N#Cc1ccnc(N2CCN([C@H](C(=O)[O-])c3ccc(Cl)cc3Cl)CC2)c1 ZINC000833076962 979078210 /nfs/dbraw/zinc/07/82/10/979078210.db2.gz UWQCPNISBOXTIQ-KRWDZBQOSA-N -1 0 391.258 3.208 20 30 GGEDRM O=C([O-])c1cccc(C#Cc2cccc(NC(=O)NCCOC3CCC3)c2)c1 ZINC000833142179 979093497 /nfs/dbraw/zinc/09/34/97/979093497.db2.gz BVNZGGOSTVDQET-UHFFFAOYSA-N -1 0 378.428 3.475 20 30 GGEDRM O=C([O-])c1cccc(C#Cc2cccc(NC(=O)NC[C@H]3CCC[C@@H]3O)c2)c1 ZINC000833141774 979093581 /nfs/dbraw/zinc/09/35/81/979093581.db2.gz YSTIPAHMUKEWRM-QUCCMNQESA-N -1 0 378.428 3.067 20 30 GGEDRM C[C@@H](Oc1ccccc1C#N)C(=O)O[C@@H](C(=O)[O-])c1c(F)cccc1Cl ZINC000833539822 979200707 /nfs/dbraw/zinc/20/07/07/979200707.db2.gz IAUXZGGKVLNWOM-QLJPJBMISA-N -1 0 377.755 3.487 20 30 GGEDRM C=CCc1cc(C(=O)N[C@@H](C)[C@@H](Cc2ccccc2)C(=O)[O-])cc(OC)c1OC ZINC000836757599 979267170 /nfs/dbraw/zinc/26/71/70/979267170.db2.gz QYOVMNCJCCRPNM-HNAYVOBHSA-N -1 0 397.471 3.494 20 30 GGEDRM C=CCC(C)(C)CNS(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC000840890942 979276539 /nfs/dbraw/zinc/27/65/39/979276539.db2.gz POHYZPAZTAEUDB-UHFFFAOYSA-N -1 0 382.301 3.089 20 30 GGEDRM C=CCC(C)(C)CNS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Br ZINC000840891498 979276872 /nfs/dbraw/zinc/27/68/72/979276872.db2.gz UGTSAOGBUWSPSY-UHFFFAOYSA-N -1 0 394.262 3.167 20 30 GGEDRM C[C@](CO)(NCc1cccc(C(=O)[O-])c1C#N)c1cccc(Br)c1 ZINC001592751545 979326119 /nfs/dbraw/zinc/32/61/19/979326119.db2.gz YOQJQGCJVDNVKK-GOSISDBHSA-N -1 0 389.249 3.016 20 30 GGEDRM C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC001592833656 979571596 /nfs/dbraw/zinc/57/15/96/979571596.db2.gz ILHBGSPMIBMAGG-VLIAUNLRSA-N -1 0 375.428 3.030 20 30 GGEDRM C[C@@H](Cc1ccc(C#N)cc1)C(=O)N[C@H](Cc1cc2ccccc2o1)C(=O)[O-] ZINC001592834195 979573731 /nfs/dbraw/zinc/57/37/31/979573731.db2.gz MILNHBCSNYGGRN-IFXJQAMLSA-N -1 0 376.412 3.295 20 30 GGEDRM C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1C[C@@H](c2ccc(F)cc2F)[C@H](C(=O)[O-])C1 ZINC001592834801 979580553 /nfs/dbraw/zinc/58/05/53/979580553.db2.gz XMFGPQVPXHGVIN-FASAQXTFSA-N -1 0 398.409 3.342 20 30 GGEDRM C[C@@](Cc1ccc(Cl)cc1)(NC(=O)c1ccc(C#N)c(Cl)n1)C(=O)[O-] ZINC001592841036 979612437 /nfs/dbraw/zinc/61/24/37/979612437.db2.gz XBDTTYFJSWXSHN-KRWDZBQOSA-N -1 0 378.215 3.076 20 30 GGEDRM CC[C@](CNC(=O)NCc1ccc(C#N)c(Cl)c1)(C(=O)[O-])c1ccccc1 ZINC001595149811 979636753 /nfs/dbraw/zinc/63/67/53/979636753.db2.gz KAXHIEXUCBJGHM-HXUWFJFHSA-N -1 0 385.851 3.443 20 30 GGEDRM CC[C@](CNC(=O)Nc1cc(C)c(N(C)C)cc1C#N)(C(=O)[O-])c1ccccc1 ZINC001595152753 979648645 /nfs/dbraw/zinc/64/86/45/979648645.db2.gz NZODWDMVBKFPEJ-JOCHJYFZSA-N -1 0 394.475 3.487 20 30 GGEDRM CC[C@](CNC(=O)Nc1nc(Cl)c(C#N)s1)(C(=O)[O-])c1ccccc1 ZINC001595154218 979658063 /nfs/dbraw/zinc/65/80/63/979658063.db2.gz LZYZRLWHQUCSET-MRXNPFEDSA-N -1 0 378.841 3.222 20 30 GGEDRM C[C@H](Cc1ccc(NC(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)cc1)C(=O)[O-] ZINC001592858710 979674678 /nfs/dbraw/zinc/67/46/78/979674678.db2.gz KDJVZOXDVGAUDT-AUUYWEPGSA-N -1 0 381.432 3.019 20 30 GGEDRM C[C@@H](Cc1ccc(NC(=O)C(=O)Nc2ccc(C#N)cc2Cl)cc1)C(=O)[O-] ZINC001592859153 979680601 /nfs/dbraw/zinc/68/06/01/979680601.db2.gz ZUFMIMACVIMLPY-NSHDSACASA-N -1 0 385.807 3.052 20 30 GGEDRM CC[C@](COC)(NC(=O)c1ccc(Oc2ccc(C#N)cc2C)cc1)C(=O)[O-] ZINC001595193674 979891276 /nfs/dbraw/zinc/89/12/76/979891276.db2.gz MPTWHLJCGVLKMZ-OAQYLSRUSA-N -1 0 382.416 3.269 20 30 GGEDRM CC[C@@](NC(=O)CCCC(=O)Nc1ccccc1C#N)(C(=O)[O-])c1ccccc1 ZINC001595238473 980154834 /nfs/dbraw/zinc/15/48/34/980154834.db2.gz MDVKBWPDRHTEJW-QFIPXVFZSA-N -1 0 393.443 3.173 20 30 GGEDRM C[C@H](NC(=O)C(C)(C)c1cc(F)cc(C#N)c1)c1ccc(OCC(=O)[O-])cc1 ZINC001592989769 980176034 /nfs/dbraw/zinc/17/60/34/980176034.db2.gz KNIXTIJQTLPHCT-ZDUSSCGKSA-N -1 0 384.407 3.316 20 30 GGEDRM C[C@@H](NC(=O)C(C)(C)Oc1ccc(C#N)cc1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001592991280 980188838 /nfs/dbraw/zinc/18/88/38/980188838.db2.gz ZLSAMRNPZLRXCN-DNVCBOLYSA-N -1 0 380.444 3.164 20 30 GGEDRM C=CCOc1ccc(CN2CCC[C@@H](n3cc(C(=O)[O-])nn3)C2)cc1Cl ZINC000901525283 980349717 /nfs/dbraw/zinc/34/97/17/980349717.db2.gz QIJKGLVXQZCCCJ-CQSZACIVSA-N -1 0 376.844 3.032 20 30 GGEDRM CC[C@@](NS(=O)(=O)c1c(C)cccc1C#N)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595311030 980470337 /nfs/dbraw/zinc/47/03/37/980470337.db2.gz OSXZHGWHJFHDLE-SFHVURJKSA-N -1 0 392.864 3.189 20 30 GGEDRM CC[C@](NS(=O)(=O)c1ccc(F)cc1C#N)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595313139 980477319 /nfs/dbraw/zinc/47/73/19/980477319.db2.gz NQNILSNNWKNUMX-QGZVFWFLSA-N -1 0 396.827 3.019 20 30 GGEDRM CC[C@](NS(=O)(=O)c1ccc(C(C)(C)C#N)cc1)(C(=O)[O-])c1ccccc1 ZINC001595313421 980477934 /nfs/dbraw/zinc/47/79/34/980477934.db2.gz RJIQNEIQKMQDIO-HXUWFJFHSA-N -1 0 386.473 3.156 20 30 GGEDRM Cc1cc(C#N)cc(C)c1CS(=O)(=O)N1CC[C@H](C(=O)[O-])c2ccccc21 ZINC000905997674 981165551 /nfs/dbraw/zinc/16/55/51/981165551.db2.gz NHSGITDMWREICD-KRWDZBQOSA-N -1 0 384.457 3.083 20 30 GGEDRM C[C@H](C#N)CN(C1CC1)S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC000906906587 981174486 /nfs/dbraw/zinc/17/44/86/981174486.db2.gz DYKZDIGAGPEAAK-MRVPVSSYSA-N -1 0 377.249 3.004 20 30 GGEDRM N#CC1(C(=O)NC[C@@H](Cc2cccc3ccccc32)C(=O)[O-])CCSCC1 ZINC000907596308 981198541 /nfs/dbraw/zinc/19/85/41/981198541.db2.gz JZFQSQJYRPYQEV-QGZVFWFLSA-N -1 0 382.485 3.236 20 30 GGEDRM CCC[C@H](CCO)NC(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC001595590921 981546301 /nfs/dbraw/zinc/54/63/01/981546301.db2.gz FFLHPJHEPITSAU-LJQANCHMSA-N -1 0 380.444 3.457 20 30 GGEDRM CCC[C@@H](NS(=O)(=O)c1ccc(C#N)cc1C(=O)[O-])c1ccc(F)cc1F ZINC001595600204 981577791 /nfs/dbraw/zinc/57/77/91/981577791.db2.gz IBRXODFNZFPAIR-MRXNPFEDSA-N -1 0 394.399 3.354 20 30 GGEDRM CC[C@@H](C(=O)[O-])C(=O)OCC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 ZINC001594765621 981718214 /nfs/dbraw/zinc/71/82/14/981718214.db2.gz QBEAGTLWIASADN-HNNXBMFYSA-N -1 0 389.452 3.074 20 30 GGEDRM C#CC[C@H](NC(=O)[C@H](C)SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)[O-] ZINC000910053066 981745407 /nfs/dbraw/zinc/74/54/07/981745407.db2.gz NTWAXEVKDGXOJC-FZMZJTMJSA-N -1 0 392.864 3.209 20 30 GGEDRM CC[C@@](C)(C#N)C(=O)N1C[C@@H](c2ccc(Br)cc2)[C@H](C(=O)[O-])C1 ZINC001594778706 981780545 /nfs/dbraw/zinc/78/05/45/981780545.db2.gz ZKPNGWCSFOSGHX-VBQJREDUSA-N -1 0 379.254 3.016 20 30 GGEDRM CCCC[C@@H](ON=C(C)C)C(=O)Nc1cc2c(cc1C(=O)[O-])OCCCO2 ZINC001595652762 982036662 /nfs/dbraw/zinc/03/66/62/982036662.db2.gz XKFJODDBNRCMGO-OAHLLOKOSA-N -1 0 378.425 3.456 20 30 GGEDRM C=CCCC[C@H](NC(=O)c1c2ccccc2nc2c1CN(CC)CC2)C(=O)[O-] ZINC000910915970 982163562 /nfs/dbraw/zinc/16/35/62/982163562.db2.gz RYBOJJBTHGWFMT-IBGZPJMESA-N -1 0 381.476 3.152 20 30 GGEDRM C=CCCC[C@@H](NC(=O)c1cnn(-c2ccccc2)c1C(F)(F)F)C(=O)[O-] ZINC000910916407 982163582 /nfs/dbraw/zinc/16/35/82/982163582.db2.gz VVYDHQBPJABZHO-CQSZACIVSA-N -1 0 381.354 3.430 20 30 GGEDRM CCCCCCCNS(=O)(=O)c1cccc(C(=O)[O-])c1Br ZINC001595704480 982275022 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3.166 20 30 GGEDRM CCCN(Cc1ccc(F)cc1F)S(=O)(=O)c1ccc(C#N)cc1C(=O)[O-] ZINC001595899777 982949180 /nfs/dbraw/zinc/94/91/80/982949180.db2.gz JZBSEDBPJZJZHG-UHFFFAOYSA-N -1 0 394.399 3.136 20 30 GGEDRM N#Cc1ccc(CNC(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)cc1Cl ZINC001121817074 983033357 /nfs/dbraw/zinc/03/33/57/983033357.db2.gz KPWIODIDJLGZDF-DLBZAZTESA-N -1 0 383.835 3.221 20 30 GGEDRM CCCNc1ccc(C#N)cc1NC(=O)c1ccc(OCC(=O)[O-])c(OCC)c1 ZINC001595936511 983075273 /nfs/dbraw/zinc/07/52/73/983075273.db2.gz FJQPKILGGAGHMQ-UHFFFAOYSA-N -1 0 397.431 3.495 20 30 GGEDRM CCCOc1ccc(CC(=O)N2CCC(C#N)(C(=O)[O-])CC2)cc1OCCC ZINC001595954619 983139860 /nfs/dbraw/zinc/13/98/60/983139860.db2.gz PWMLVPNBIWXOIT-UHFFFAOYSA-N -1 0 388.464 3.024 20 30 GGEDRM CCC[C@@H]1C[C@H]1n1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(=O)[O-])C1 ZINC001596010703 983270814 /nfs/dbraw/zinc/27/08/14/983270814.db2.gz BIZCCCWNXZCMFC-KZNAEPCWSA-N -1 0 379.464 3.479 20 30 GGEDRM C#C[C@H](NC(=O)N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12)c1ccc(Br)cc1 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20 30 GGEDRM C#C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1C(=O)[O-])c1ccc(Cl)cc1 ZINC001588376000 983348863 /nfs/dbraw/zinc/34/88/63/983348863.db2.gz OAWCIUMYCXVOFL-CQSZACIVSA-N -1 0 384.240 3.344 20 30 GGEDRM C#C[C@@H](NS(=O)(=O)CC1(C(=O)[O-])CCCCC1)c1ccc(Cl)cc1F ZINC001588376667 983353157 /nfs/dbraw/zinc/35/31/57/983353157.db2.gz FUVHESPPBGIVRD-OAHLLOKOSA-N -1 0 387.860 3.108 20 30 GGEDRM C#C[C@H]1CCCN(c2ccc(C(=O)c3ccccc3C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001588382933 983376367 /nfs/dbraw/zinc/37/63/67/983376367.db2.gz KBXVOXTZLGQGKC-AWEZNQCLSA-N -1 0 378.384 3.374 20 30 GGEDRM C#CC[C@H](CCOC)NC(=O)Nc1cc(C(=O)[O-])c(Br)cc1C ZINC001588393835 983400320 /nfs/dbraw/zinc/40/03/20/983400320.db2.gz KSCFPVMKYIPLKR-LLVKDONJSA-N -1 0 383.242 3.006 20 30 GGEDRM C#CC[C@@H](CCOC)NC(=O)Nc1ccc(Cl)cc1SCCC(=O)[O-] ZINC001588394224 983402418 /nfs/dbraw/zinc/40/24/18/983402418.db2.gz NEBCUVAWXMYIQN-ZDUSSCGKSA-N -1 0 384.885 3.457 20 30 GGEDRM C#CC[C@@H](Cc1ccccc1)NC(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 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GRXVJDVNRYPATC-RBZFPXEDSA-N -1 0 391.420 3.375 20 30 GGEDRM C#CC[C@]1(C(=O)Nc2ccc(C(=O)[O-])cc2C)CCCN1C(=O)OC(C)(C)C ZINC001588428194 983460512 /nfs/dbraw/zinc/46/05/12/983460512.db2.gz FPHWPQFDUYUPAY-OAQYLSRUSA-N -1 0 386.448 3.425 20 30 GGEDRM C#CC[C@]1(C(=O)N2CCc3cc(C(=O)[O-])ccc32)CCCN1C(=O)OC(C)(C)C ZINC001588428440 983461701 /nfs/dbraw/zinc/46/17/01/983461701.db2.gz OHIVYTHSSVBTGA-JOCHJYFZSA-N -1 0 398.459 3.067 20 30 GGEDRM C#CC[C@]1(C(=O)Nc2ccc(C)c(C(=O)[O-])c2)CCCN1C(=O)OC(C)(C)C ZINC001588428730 983463434 /nfs/dbraw/zinc/46/34/34/983463434.db2.gz ZBUCJMLAIMQYOA-OAQYLSRUSA-N -1 0 386.448 3.425 20 30 GGEDRM C#CC[C@@H]1CCCN(C(=O)NCc2cccc(-c3nc(C(=O)[O-])cs3)c2)C1 ZINC001588431105 983464565 /nfs/dbraw/zinc/46/45/65/983464565.db2.gz GVMQTFMYEJGKJF-CQSZACIVSA-N -1 0 383.473 3.453 20 30 GGEDRM C#CC[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2SCCC(=O)[O-])C1 ZINC001588434846 983472799 /nfs/dbraw/zinc/47/27/99/983472799.db2.gz VUORFEDUYYXSSZ-ZDUSSCGKSA-N -1 0 376.434 3.037 20 30 GGEDRM C#CCN(C(=O)Nc1ccc(Oc2ccnc(C(=O)[O-])c2)cc1)C1CSC1 ZINC001588460051 983486815 /nfs/dbraw/zinc/48/68/15/983486815.db2.gz QISKAKPOXPANDO-UHFFFAOYSA-N -1 0 383.429 3.155 20 30 GGEDRM C#CCN([C@@H]1CCCc2ccccc21)S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC001588463626 983491689 /nfs/dbraw/zinc/49/16/89/983491689.db2.gz GBKCXCWNWMHDSF-GOSISDBHSA-N -1 0 387.432 3.225 20 30 GGEDRM C#CCN([C@H]1CCCc2ccccc21)S(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC001588463641 983491774 /nfs/dbraw/zinc/49/17/74/983491774.db2.gz HCYBAAJZQCSNLK-FQEVSTJZSA-N -1 0 383.469 3.015 20 30 GGEDRM C#CCN([C@@H]1CCCc2ccccc21)S(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC001588463821 983492282 /nfs/dbraw/zinc/49/22/82/983492282.db2.gz MNYPOFWGMRFFPP-LJQANCHMSA-N -1 0 383.469 3.395 20 30 GGEDRM C#CCN([C@H]1CCCc2ccccc21)S(=O)(=O)Cc1ccccc1C(=O)[O-] ZINC001588463807 983492352 /nfs/dbraw/zinc/49/23/52/983492352.db2.gz LQSNQTPYWOZCJO-FQEVSTJZSA-N -1 0 383.469 3.227 20 30 GGEDRM C#CCN([C@H]1CCCc2ccccc21)S(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC001588463820 983492414 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GGEDRM C#CCOc1ccc(F)cc1NC(=O)N[C@H](CCC(=O)[O-])Cc1ccccc1 ZINC001588497786 983541186 /nfs/dbraw/zinc/54/11/86/983541186.db2.gz BVDWPIVLQXQOBX-QGZVFWFLSA-N -1 0 384.407 3.435 20 30 GGEDRM C#CCOc1ccc(F)cc1NC(=O)N1CCc2c(F)ccc(C(=O)[O-])c2C1 ZINC001588498011 983542924 /nfs/dbraw/zinc/54/29/24/983542924.db2.gz PVAMQGWSPOIECQ-UHFFFAOYSA-N -1 0 386.354 3.265 20 30 GGEDRM CCN([C@@H](C)c1ccc(C#N)cc1)S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC001596177606 983546030 /nfs/dbraw/zinc/54/60/30/983546030.db2.gz BQXLZRKPIBBZDG-LBPRGKRZSA-N -1 0 376.409 3.167 20 30 GGEDRM CCN([C@H](C)c1ccc(C#N)cc1)S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC001596177605 983546061 /nfs/dbraw/zinc/54/60/61/983546061.db2.gz BQXLZRKPIBBZDG-GFCCVEGCSA-N -1 0 376.409 3.167 20 30 GGEDRM C#CCOc1ccccc1CNC(=O)Nc1ccc(O[C@@H](C)C(=O)[O-])c(F)c1 ZINC001588504167 983546542 /nfs/dbraw/zinc/54/65/42/983546542.db2.gz JOVYWNLSNXQMBN-ZDUSSCGKSA-N -1 0 386.379 3.011 20 30 GGEDRM C#CCOc1ccccc1-c1noc(-c2cc(C)c(OCC(=O)[O-])c(C)c2)n1 ZINC001588504303 983547114 /nfs/dbraw/zinc/54/71/14/983547114.db2.gz QDEDZDJLQIACON-UHFFFAOYSA-N -1 0 378.384 3.496 20 30 GGEDRM CCN([C@@H](C)c1ccc(C#N)cc1)S(=O)(=O)c1ccc(C(=O)[O-])cc1OC ZINC001596178764 983548751 /nfs/dbraw/zinc/54/87/51/983548751.db2.gz SXTTXAVEKYGLFX-ZDUSSCGKSA-N -1 0 388.445 3.037 20 30 GGEDRM C#CCOc1ccccc1OS(=O)(=O)c1ccc(C(=O)[O-])c2ccccc21 ZINC001588505215 983550068 /nfs/dbraw/zinc/55/00/68/983550068.db2.gz YWCMJRZYIFAFPZ-UHFFFAOYSA-N -1 0 382.393 3.318 20 30 GGEDRM C#Cc1ccc(CNC(=O)N2CCC(Nc3cccc(C(=O)[O-])c3)CC2)cc1 ZINC001588517085 983563427 /nfs/dbraw/zinc/56/34/27/983563427.db2.gz KXWAWLGRPMJFQY-UHFFFAOYSA-N -1 0 377.444 3.152 20 30 GGEDRM C#Cc1ccc(CNC(=O)NCc2cccc(-c3nc(C(=O)[O-])cs3)c2)cc1 ZINC001588517423 983564868 /nfs/dbraw/zinc/56/48/68/983564868.db2.gz RPOGTELVSIADIX-UHFFFAOYSA-N -1 0 391.452 3.489 20 30 GGEDRM C#Cc1ccc(S(=O)(=O)N[C@H](CC(=O)[O-])c2ccc(C(C)(C)C)cc2)cc1 ZINC001588517733 983566519 /nfs/dbraw/zinc/56/65/19/983566519.db2.gz GRSKPXPXJICXDF-LJQANCHMSA-N -1 0 385.485 3.460 20 30 GGEDRM C#Cc1cccc(N(Cc2ccco2)S(=O)(=O)c2cccc(CC(=O)[O-])c2)c1 ZINC001588523341 983572561 /nfs/dbraw/zinc/57/25/61/983572561.db2.gz HSIZCXNSUDPADC-UHFFFAOYSA-N -1 0 395.436 3.284 20 30 GGEDRM C#Cc1cccc(N(Cc2ccco2)S(=O)(=O)c2cnc(C)c(C(=O)[O-])c2)c1 ZINC001588523685 983573168 /nfs/dbraw/zinc/57/31/68/983573168.db2.gz SOZAKGWIWRZOEK-UHFFFAOYSA-N -1 0 396.424 3.058 20 30 GGEDRM C#Cc1ccccc1CC(=O)N[C@H](CC(=O)[O-])c1ccc(Br)cc1 ZINC001588524363 983574546 /nfs/dbraw/zinc/57/45/46/983574546.db2.gz GKLGTFHLXYTWFO-QGZVFWFLSA-N -1 0 386.245 3.305 20 30 GGEDRM C#Cc1ccccc1CC(=O)N(CC(=O)[O-])Cc1cccc(Br)c1 ZINC001588524419 983574838 /nfs/dbraw/zinc/57/48/38/983574838.db2.gz JNIAZYZZHBMYCQ-UHFFFAOYSA-N -1 0 386.245 3.086 20 30 GGEDRM C=C(C)[C@H](NS(=O)(=O)Cc1cccc(C(=O)[O-])c1)c1ccc(F)c(F)c1 ZINC001588534003 983584983 /nfs/dbraw/zinc/58/49/83/983584983.db2.gz DBTUENNHVBCYPR-KRWDZBQOSA-N -1 0 381.400 3.400 20 30 GGEDRM C=C(C)[C@H](NC(=O)Cc1[nH]c(C(C)=O)c(C)c1C(=O)[O-])c1ccc(F)c(F)c1 ZINC001588535119 983587946 /nfs/dbraw/zinc/58/79/46/983587946.db2.gz LCWNTQNKULDQSV-SFHVURJKSA-N -1 0 390.386 3.478 20 30 GGEDRM C=C(C)[C@@H](NS(=O)(=O)c1ccc(C#N)cc1C(=O)[O-])c1ccc(F)c(F)c1 ZINC001588535415 983588987 /nfs/dbraw/zinc/58/89/87/983588987.db2.gz OAWQJXAHPLTDLW-QGZVFWFLSA-N -1 0 392.383 3.130 20 30 GGEDRM C=C(C)[C@H](NS(=O)(=O)c1cc(F)ccc1C(=O)[O-])c1ccc(F)c(F)c1 ZINC001588536275 983593532 /nfs/dbraw/zinc/59/35/32/983593532.db2.gz WUMHHUDYEBVJBT-INIZCTEOSA-N -1 0 385.363 3.398 20 30 GGEDRM C=C(C)[C@@H](NC(=O)NCc1cc(C(=O)[O-])c(C)n1C)c1ccc(F)c(F)c1 ZINC001588536605 983594965 /nfs/dbraw/zinc/59/49/65/983594965.db2.gz ZEQZWAAXLDFQMU-QGZVFWFLSA-N -1 0 377.391 3.427 20 30 GGEDRM C=C(C)C[C@@H](CO)NC(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC001588537606 983600732 /nfs/dbraw/zinc/60/07/32/983600732.db2.gz TVZWZTZMAIKKNW-FQEVSTJZSA-N -1 0 378.428 3.233 20 30 GGEDRM C=C(C)C[C@H](NC(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1)C(=O)[O-] ZINC001588540487 983603912 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3.470 20 30 GGEDRM C=C(C)C[C@H](NC(=O)c1cc(CNC(=O)C(C)(C)C)ccc1Cl)C(=O)[O-] ZINC001588543824 983612672 /nfs/dbraw/zinc/61/26/72/983612672.db2.gz OKPXYTXMMCDRJP-HNNXBMFYSA-N -1 0 380.872 3.152 20 30 GGEDRM C=C(C)C[C@@H](NC(=O)c1ccc(NC(=O)c2ccc(OC)cc2)s1)C(=O)[O-] ZINC001588546332 983615197 /nfs/dbraw/zinc/61/51/97/983615197.db2.gz HCFQCWQXVJOQIA-CQSZACIVSA-N -1 0 388.445 3.158 20 30 GGEDRM C=C(C)C[C@H](NC(=O)c1ccc(Sc2ccccc2Cl)nn1)C(=O)[O-] ZINC001588546541 983615959 /nfs/dbraw/zinc/61/59/59/983615959.db2.gz NBVPSVMFMOXMTI-ZDUSSCGKSA-N -1 0 377.853 3.430 20 30 GGEDRM C=C(C)C[C@@H](NC(=O)c1nc(CCC)n(-c2ccccc2Cl)n1)C(=O)[O-] ZINC001588547977 983622387 /nfs/dbraw/zinc/62/23/87/983622387.db2.gz PEHVAGPVNSAYCW-CYBMUJFWSA-N -1 0 376.844 3.022 20 30 GGEDRM C=C(C)C[C@@H](NS(=O)(=O)c1ccc2cc(Br)ccc2c1)C(=O)[O-] ZINC001588555647 983636705 /nfs/dbraw/zinc/63/67/05/983636705.db2.gz ODGPRABXMBQVAI-OAHLLOKOSA-N -1 0 398.278 3.300 20 30 GGEDRM C=C(C)COCCNC(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)(F)F ZINC001588570035 983650669 /nfs/dbraw/zinc/65/06/69/983650669.db2.gz TVMYZYZRLACHCY-UHFFFAOYSA-N -1 0 376.331 3.040 20 30 GGEDRM C=C(C)COc1cccc(NC(=O)N2CCC[C@@](O)(C3(C(=O)[O-])CCC3)C2)c1 ZINC001588573833 983654078 /nfs/dbraw/zinc/65/40/78/983654078.db2.gz YSZYNGSVJJQPNQ-NRFANRHFSA-N -1 0 388.464 3.255 20 30 GGEDRM C=C(C)Cn1c(-c2c[nH]c(C3CC3)n2)nnc1N1CCC[C@H](CCC(=O)[O-])C1 ZINC001588577196 983655790 /nfs/dbraw/zinc/65/57/90/983655790.db2.gz PWUVIRNEUJADQE-CQSZACIVSA-N -1 0 384.484 3.203 20 30 GGEDRM C=C(C)Cn1c(-c2c[nH]c(C3CC3)n2)nnc1N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001588577195 983655900 /nfs/dbraw/zinc/65/59/00/983655900.db2.gz PWUVIRNEUJADQE-AWEZNQCLSA-N -1 0 384.484 3.203 20 30 GGEDRM C=C(C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCO[C@H](C(=O)[O-])C1 ZINC001588578265 983657232 /nfs/dbraw/zinc/65/72/32/983657232.db2.gz AMRLYUGZSTXRNB-KRWDZBQOSA-N -1 0 384.480 3.109 20 30 GGEDRM C=C(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001588578658 983659012 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SJLWGUDYIHEGDQ-OAQYLSRUSA-N -1 0 392.463 3.008 20 30 GGEDRM C=C(C)Cn1c(-c2cccn2C)nnc1N1CCc2cccc(C(=O)[O-])c2C1 ZINC001588578962 983660363 /nfs/dbraw/zinc/66/03/63/983660363.db2.gz SDRQYKYOBSNAPF-UHFFFAOYSA-N -1 0 377.448 3.121 20 30 GGEDRM C=C(C)Cn1c(-c2ccc3ccccc3n2)nnc1N1CC[C@](F)(C(=O)[O-])C1 ZINC001588579368 983661490 /nfs/dbraw/zinc/66/14/90/983661490.db2.gz ZRPCZBCYJVCRKV-HXUWFJFHSA-N -1 0 381.411 3.072 20 30 GGEDRM C=C(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1C[C@@H](C)O[C@@H](C(=O)[O-])C1 ZINC001588588976 983665640 /nfs/dbraw/zinc/66/56/40/983665640.db2.gz DZKWDSHMALNTRA-KBAYOESNSA-N -1 0 384.480 3.074 20 30 GGEDRM C=C(C)Cn1c(-c2scnc2C)nnc1N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001588590012 983668837 /nfs/dbraw/zinc/66/88/37/983668837.db2.gz VZVOQLAHFDEJOL-AWEZNQCLSA-N -1 0 375.498 3.367 20 30 GGEDRM C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@@](C)(C(=O)[O-])C1 ZINC001588590125 983669722 /nfs/dbraw/zinc/66/97/22/983669722.db2.gz ZKFUXRGJXFZUFY-VBKZILBWSA-N -1 0 388.443 3.434 20 30 GGEDRM C=C(C)Cn1c([C@@H]2C[C@H]2OC(C)(C)C)nnc1N1CCC[C@@](C)(C(=O)[O-])C1 ZINC001588591022 983671042 /nfs/dbraw/zinc/67/10/42/983671042.db2.gz DHJUTODRXSAYAB-STXHMFSFSA-N -1 0 376.501 3.216 20 30 GGEDRM C=C(C)Cn1c([C@H](O)/C=C\CC)nnc1N1CCc2cc(C(=O)[O-])ccc2C1 ZINC001588591139 983671529 /nfs/dbraw/zinc/67/15/29/983671529.db2.gz GJQKQOPAGIVIFO-OOFWQKGWSA-N -1 0 382.464 3.115 20 30 GGEDRM C=C(C)Cn1c([C@H]2Cc3ccccc3O2)nnc1N1CCC[C@@](C)(C(=O)[O-])C1 ZINC001588592008 983675077 /nfs/dbraw/zinc/67/50/77/983675077.db2.gz PVCRBPBKPCAHRZ-DYESRHJHSA-N -1 0 382.464 3.222 20 30 GGEDRM C=C(C)Cn1c([C@H]2Cc3ccccc3O2)nnc1N1CCC[C@](C)(C(=O)[O-])C1 ZINC001588592010 983675179 /nfs/dbraw/zinc/67/51/79/983675179.db2.gz PVCRBPBKPCAHRZ-UTKZUKDTSA-N -1 0 382.464 3.222 20 30 GGEDRM C=C(C)Cn1c([C@H]2CCO[C@@H]2C)nnc1N1CCc2ccc(C(=O)[O-])cc2C1 ZINC001588592266 983676821 /nfs/dbraw/zinc/67/68/21/983676821.db2.gz VCNXBNIDUMBEEU-KDOFPFPSSA-N -1 0 382.464 3.008 20 30 GGEDRM 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LTPFHPPAOOQPLY-NSHDSACASA-N -1 0 377.384 3.380 20 30 GGEDRM C=CC[C@H]1N(C(=O)Nc2ccc(CC(=O)NCC(=O)[O-])cc2)CCCC1(C)C ZINC001588773980 984150411 /nfs/dbraw/zinc/15/04/11/984150411.db2.gz NVCWIIDEHDAYBT-QGZVFWFLSA-N -1 0 387.480 3.029 20 30 GGEDRM C=CC[C@@H]1N(C(=O)Nc2ccc(CC(=O)NCC(=O)[O-])cc2)CCCC1(C)C ZINC001588773979 984150420 /nfs/dbraw/zinc/15/04/20/984150420.db2.gz NVCWIIDEHDAYBT-KRWDZBQOSA-N -1 0 387.480 3.029 20 30 GGEDRM C=CC[C@@H]1N(S(=O)(=O)c2ccc(OCCC(=O)[O-])cc2)CCCC1(C)C ZINC001588774054 984150852 /nfs/dbraw/zinc/15/08/52/984150852.db2.gz QYBXWUPSANOBNL-KRWDZBQOSA-N -1 0 381.494 3.296 20 30 GGEDRM C=CCC[C@@H](C(=O)Nc1cc(C(=O)[O-])cc(S(C)(=O)=O)c1)c1ccccc1 ZINC001588777027 984154917 /nfs/dbraw/zinc/15/49/17/984154917.db2.gz RQMUTKJJKJLWDN-GOSISDBHSA-N -1 0 387.457 3.477 20 30 GGEDRM C=CCC[C@@H](CO)NC(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC001588777514 984156380 /nfs/dbraw/zinc/15/63/80/984156380.db2.gz BXCLUHFLAYEQCH-FQEVSTJZSA-N -1 0 378.428 3.233 20 30 GGEDRM C=CCC[C@H](CO)NC(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC001588777515 984156388 /nfs/dbraw/zinc/15/63/88/984156388.db2.gz BXCLUHFLAYEQCH-HXUWFJFHSA-N -1 0 378.428 3.233 20 30 GGEDRM C=CCC[C@H](NC(=O)N1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1)c1ccccc1 ZINC001588778595 984161284 /nfs/dbraw/zinc/16/12/84/984161284.db2.gz GCYXUHCHFSMNOH-SJORKVTESA-N -1 0 383.452 3.030 20 30 GGEDRM C=CCC[C@@H](NS(=O)(=O)c1ccc(CC(=O)[O-])c(F)c1)c1ccccc1 ZINC001588779040 984164072 /nfs/dbraw/zinc/16/40/72/984164072.db2.gz RDUHYPKTXUBXER-GOSISDBHSA-N -1 0 377.437 3.439 20 30 GGEDRM C=CCCC1(CNC(=O)N2CCC(O)(C3(C(=O)[O-])CCC3)CC2)CCCC1 ZINC001588781982 984169205 /nfs/dbraw/zinc/16/92/05/984169205.db2.gz LZSRWPYHJNTIKI-UHFFFAOYSA-N -1 0 378.513 3.304 20 30 GGEDRM C=CCC[C@@H]1CCCN1S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC001588782096 984169669 /nfs/dbraw/zinc/16/96/69/984169669.db2.gz OJFOOYGOANKMCR-SECBINFHSA-N -1 0 394.312 3.328 20 30 GGEDRM C=CCC[C@H]1CCCN1S(=O)(=O)c1cc(C(=O)[O-])ccc1Br ZINC001588782270 984171167 /nfs/dbraw/zinc/17/11/67/984171167.db2.gz SOHRQZDDJDVYMN-LBPRGKRZSA-N -1 0 388.283 3.267 20 30 GGEDRM C=CCCC[C@@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)c1ccccc1C)C(=O)[O-] ZINC001588785394 984179864 /nfs/dbraw/zinc/17/98/64/984179864.db2.gz GFOZRUAJWIPYAL-IAGOWNOFSA-N -1 0 390.480 3.487 20 30 GGEDRM C=CCCC[C@H](NC(=O)[C@H](C)NC(=O)c1cccc(Cl)c1Cl)C(=O)[O-] ZINC001588785413 984180000 /nfs/dbraw/zinc/18/00/00/984180000.db2.gz GLAQDUABRJCFKN-GWCFXTLKSA-N -1 0 387.263 3.037 20 30 GGEDRM C=CCCC[C@@H](NC(=O)[C@]1(C)CC(c2cccc(Cl)c2F)=NO1)C(=O)[O-] ZINC001588786249 984183709 /nfs/dbraw/zinc/18/37/09/984183709.db2.gz ORUYFRRISJRZBF-ACJLOTCBSA-N -1 0 382.819 3.288 20 30 GGEDRM C=CCCC[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1)C(=O)[O-] ZINC001588786995 984185409 /nfs/dbraw/zinc/18/54/09/984185409.db2.gz SLWKPDYYDNITLS-CVEARBPZSA-N -1 0 382.501 3.386 20 30 GGEDRM C=CCCC[C@H](NC(=O)C(F)(F)c1ccccc1Br)C(=O)[O-] ZINC001588787032 984185736 /nfs/dbraw/zinc/18/57/36/984185736.db2.gz SPWZUOMXBMVGCT-LBPRGKRZSA-N -1 0 376.197 3.467 20 30 GGEDRM C=CCCC[C@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)(C)C)C(=O)[O-] ZINC001588787329 984186230 /nfs/dbraw/zinc/18/62/30/984186230.db2.gz VMWFQFHWJIKNTQ-DLBZAZTESA-N -1 0 390.480 3.253 20 30 GGEDRM C=CCCC[C@H](NC(=O)CCc1nnc(-c2cc3ccccc3o2)o1)C(=O)[O-] ZINC001588788537 984190940 /nfs/dbraw/zinc/19/09/40/984190940.db2.gz GKRYLLMIKDZBEJ-AWEZNQCLSA-N -1 0 383.404 3.341 20 30 GGEDRM C=CCCC[C@@H](NC(=O)CSc1nc(-c2cccc(C)c2)no1)C(=O)[O-] ZINC001588788848 984194014 /nfs/dbraw/zinc/19/40/14/984194014.db2.gz PTJQCADMALRFGL-CQSZACIVSA-N -1 0 375.450 3.063 20 30 GGEDRM C=CCCC[C@@H](NC(=O)C1(NC(=O)OC(C)(C)C)CC2(CCC2)C1)C(=O)[O-] ZINC001588789565 984199310 /nfs/dbraw/zinc/19/93/10/984199310.db2.gz FMHPPFGLBSQZRH-CQSZACIVSA-N -1 0 380.485 3.140 20 30 GGEDRM C=CCCC[C@@H](NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)c2ccccc21)C(=O)[O-] ZINC001588789713 984200278 /nfs/dbraw/zinc/20/02/78/984200278.db2.gz IJBRKEHMERQFDF-JKSUJKDBSA-N -1 0 388.464 3.451 20 30 GGEDRM C=CCCC[C@H](NC(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1)C(=O)[O-] ZINC001588789769 984201062 /nfs/dbraw/zinc/20/10/62/984201062.db2.gz JKBXATDDWYYKOF-ZDUSSCGKSA-N -1 0 398.912 3.179 20 30 GGEDRM C=CCCC[C@H](NC(=O)C1(c2ccc(OC)c(OC)c2)CCCC1)C(=O)[O-] ZINC001588789960 984202797 /nfs/dbraw/zinc/20/27/97/984202797.db2.gz NWMPWHUGHYZGAI-INIZCTEOSA-N -1 0 375.465 3.441 20 30 GGEDRM C=CCCC[C@H](NC(=O)[C@@H]1CCCN(C(=O)c2cc(C)cc(C)c2)C1)C(=O)[O-] ZINC001588789948 984202872 /nfs/dbraw/zinc/20/28/72/984202872.db2.gz NRJXAPOOPAOKEU-MJGOQNOKSA-N -1 0 386.492 3.081 20 30 GGEDRM C=CCCC[C@H](NC(=O)C1(C2CCN(C(=O)OC(C)(C)C)CC2)CC1)C(=O)[O-] ZINC001588790114 984203989 /nfs/dbraw/zinc/20/39/89/984203989.db2.gz QPQBECGPVIQJIC-INIZCTEOSA-N -1 0 394.512 3.339 20 30 GGEDRM C=CCCC[C@@H](NC(=O)c1cc(-c2c(C)nn([C@@H](C)CC)c2C)n[nH]1)C(=O)[O-] ZINC001588792824 984213467 /nfs/dbraw/zinc/21/34/67/984213467.db2.gz OAAGPWPVRZDGEJ-SWLSCSKDSA-N -1 0 387.484 3.400 20 30 GGEDRM C=CCCC[C@H](NC(=O)c1ccc(C(=O)c2cccc(OC)c2)cc1)C(=O)[O-] ZINC001588793514 984219461 /nfs/dbraw/zinc/21/94/61/984219461.db2.gz YPOOUGYLWPNDFF-IBGZPJMESA-N -1 0 381.428 3.466 20 30 GGEDRM C=CCCC[C@@H](NC(=O)c1ccc(C(=O)c2cccc(OC)c2)cc1)C(=O)[O-] ZINC001588793516 984219502 /nfs/dbraw/zinc/21/95/02/984219502.db2.gz YPOOUGYLWPNDFF-LJQANCHMSA-N -1 0 381.428 3.466 20 30 GGEDRM C=CCCC[C@H](NC(=O)c1cn(-c2ccc(Br)cc2)cn1)C(=O)[O-] ZINC001588793562 984219906 /nfs/dbraw/zinc/21/99/06/984219906.db2.gz SSQYECMQKWMAKC-AWEZNQCLSA-N -1 0 392.253 3.174 20 30 GGEDRM C=CCCC[C@H](NC(=O)c1cccc(-n2nccc2C(F)(F)F)c1)C(=O)[O-] ZINC001588793745 984221902 /nfs/dbraw/zinc/22/19/02/984221902.db2.gz ZTROKNLYAZGPPL-AWEZNQCLSA-N -1 0 381.354 3.430 20 30 GGEDRM C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(CC(=O)[O-])cc1 ZINC001588793904 984223217 /nfs/dbraw/zinc/22/32/17/984223217.db2.gz FMDXCUBEKINYHI-KRWDZBQOSA-N -1 0 390.480 3.180 20 30 GGEDRM C=CCCC[C@H](NC(=O)N1CCC[C@H](n2cc(C(=O)[O-])nn2)C1)c1ccccc1 ZINC001588794094 984224690 /nfs/dbraw/zinc/22/46/90/984224690.db2.gz LCWRUVRYEWOZKB-ROUUACIJSA-N -1 0 397.479 3.420 20 30 GGEDRM C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCc1ccccc1C(=O)[O-] ZINC001588794201 984225397 /nfs/dbraw/zinc/22/53/97/984225397.db2.gz ODLAYTLMEVNXPC-QGZVFWFLSA-N -1 0 390.480 3.293 20 30 GGEDRM C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc(C)c(C(=O)[O-])s1 ZINC001588794541 984228100 /nfs/dbraw/zinc/22/81/00/984228100.db2.gz YFSHQYPVOHDUGO-LLVKDONJSA-N -1 0 383.470 3.338 20 30 GGEDRM C=CCCC[C@@H](NC(=O)N1CCC(n2cc(C(=O)[O-])nn2)CC1)c1ccccc1 ZINC001588794525 984228361 /nfs/dbraw/zinc/22/83/61/984228361.db2.gz XPBJEKYBSBAHQG-GOSISDBHSA-N -1 0 397.479 3.420 20 30 GGEDRM C=CCCC[C@@H](NC(=O)c1c(O)cnc2c(Br)cccc21)C(=O)[O-] ZINC001588794595 984228805 /nfs/dbraw/zinc/22/88/05/984228805.db2.gz ZMRQZQQDTHADLK-GFCCVEGCSA-N -1 0 393.237 3.242 20 30 GGEDRM C=CCCC[C@@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)[O-] ZINC001588797333 984229365 /nfs/dbraw/zinc/22/93/65/984229365.db2.gz CXAHWEHIWPNILP-CYBMUJFWSA-N -1 0 375.406 3.258 20 30 GGEDRM C=CCCC[C@H](NC(=O)c1nc(C)n(-c2c(Cl)cccc2Cl)n1)C(=O)[O-] ZINC001588797521 984229982 /nfs/dbraw/zinc/22/99/82/984229982.db2.gz HOELTWLPCZGVEH-ZDUSSCGKSA-N -1 0 397.262 3.422 20 30 GGEDRM C=CCCC[C@H](NC(=O)c1nn(-c2ccccc2F)c2c1CCCC2)C(=O)[O-] ZINC001588797641 984230471 /nfs/dbraw/zinc/23/04/71/984230471.db2.gz IEVSKXKZEXVXDY-INIZCTEOSA-N -1 0 385.439 3.430 20 30 GGEDRM C=CCCC[C@@H](NC(=O)c1nn(-c2c(C)cccc2F)c2c1CCC2)C(=O)[O-] ZINC001588797802 984231510 /nfs/dbraw/zinc/23/15/10/984231510.db2.gz MBJXWHFHKARDFT-MRXNPFEDSA-N -1 0 385.439 3.348 20 30 GGEDRM C=CCCC[C@@H](NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)C(=O)[O-] ZINC001588798371 984235376 /nfs/dbraw/zinc/23/53/76/984235376.db2.gz CMUALQDHJGPJPY-LLVKDONJSA-N -1 0 385.791 3.447 20 30 GGEDRM C=CCCC[C@@H](NS(=O)(=O)c1cc(Cl)ccc1Br)C(=O)[O-] ZINC001588798504 984236523 /nfs/dbraw/zinc/23/65/23/984236523.db2.gz HWTGVUYHNSOKFO-LLVKDONJSA-N -1 0 396.690 3.190 20 30 GGEDRM C=CCCCN(CC)S(=O)(=O)c1ccc(C(=O)[O-])cc1Br ZINC001588801243 984244826 /nfs/dbraw/zinc/24/48/26/984244826.db2.gz BPIGYCVYEHICKD-UHFFFAOYSA-N -1 0 376.272 3.124 20 30 GGEDRM C=CCCCN(CC)S(=O)(=O)c1cc(C(=O)[O-])ccc1Br ZINC001588801764 984247630 /nfs/dbraw/zinc/24/76/30/984247630.db2.gz ZNYLEBSWKOBADM-UHFFFAOYSA-N -1 0 376.272 3.124 20 30 GGEDRM C=CCCCn1c(COc2ccc(C)cc2)nnc1N1CCC[C@H](C(=O)[O-])C1 ZINC001588805518 984253823 /nfs/dbraw/zinc/25/38/23/984253823.db2.gz ATGIMNQWWMGQPJ-KRWDZBQOSA-N -1 0 384.480 3.433 20 30 GGEDRM C=CCCCn1c(Cc2ccccc2OC)nnc1N1CCC[C@@H](C(=O)[O-])C1 ZINC001588805522 984254112 /nfs/dbraw/zinc/25/41/12/984254112.db2.gz BOMNISBYUGBHGZ-QGZVFWFLSA-N -1 0 384.480 3.145 20 30 GGEDRM C=CCCN(OCc1ccccc1)S(=O)(=O)Cc1ccccc1C(=O)[O-] ZINC001588807282 984258760 /nfs/dbraw/zinc/25/87/60/984258760.db2.gz GXEOBBFNDRXEFK-UHFFFAOYSA-N -1 0 375.446 3.225 20 30 GGEDRM C=CCCN(OCc1ccccc1)S(=O)(=O)c1ccc(OC)cc1C(=O)[O-] ZINC001588807742 984261058 /nfs/dbraw/zinc/26/10/58/984261058.db2.gz WMCRUYIYKZIOJY-UHFFFAOYSA-N -1 0 391.445 3.092 20 30 GGEDRM C=CCCN(OCc1ccccc1)S(=O)(=O)CC1(C(=O)[O-])CCCCC1 ZINC001588807726 984261287 /nfs/dbraw/zinc/26/12/87/984261287.db2.gz VDYRBABKQQGZMP-UHFFFAOYSA-N -1 0 381.494 3.361 20 30 GGEDRM C=CCCN(OCc1ccccc1)C(=O)N[C@H]1CCOC2(CC(C(=O)[O-])C2)C1 ZINC001588807859 984261709 /nfs/dbraw/zinc/26/17/09/984261709.db2.gz ZZUSHJQKEPCKRE-WBTXTPOCSA-N -1 0 388.464 3.118 20 30 GGEDRM C=CCCO[C@@H](C)C(=O)N(C)[C@@H](C(=O)[O-])c1ccc(Br)s1 ZINC001588809052 984264522 /nfs/dbraw/zinc/26/45/22/984264522.db2.gz XFBIBOCPNJJRAD-JOYOIKCWSA-N -1 0 376.272 3.076 20 30 GGEDRM C=CCCn1cc(C(=O)Oc2ccc3c(c2)c(C(=O)[O-])c(C)n3C2CC2)nn1 ZINC001588817210 984275403 /nfs/dbraw/zinc/27/54/03/984275403.db2.gz FBMHRYMJWNMROU-UHFFFAOYSA-N -1 0 380.404 3.370 20 30 GGEDRM C=CCN(C(=O)/C=C\c1cc(C(=O)[O-])co1)[C@H](Cc1ccccc1)C(=O)OCC ZINC001588820188 984282910 /nfs/dbraw/zinc/28/29/10/984282910.db2.gz VKNNLLCWXXUCTL-OEIFXAAASA-N -1 0 397.427 3.180 20 30 GGEDRM C=CCN(C(=O)c1oc(C(=O)[O-])cc1C)[C@H](Cc1ccccc1)C(=O)OCC ZINC001588820439 984284026 /nfs/dbraw/zinc/28/40/26/984284026.db2.gz CGVYBDPMSBNDFL-MRXNPFEDSA-N -1 0 385.416 3.089 20 30 GGEDRM C=CCN(CC1CCCCC1)S(=O)(=O)c1cc(C(=O)[O-])ccc1COC ZINC001588825771 984302265 /nfs/dbraw/zinc/30/22/65/984302265.db2.gz XHHFORRNXHTLEB-UHFFFAOYSA-N -1 0 381.494 3.288 20 30 GGEDRM C=CCN(CCc1ccccc1)Cc1nc(=O)c2c(C)c(C(=O)[O-])sc2[nH]1 ZINC001588828730 984309391 /nfs/dbraw/zinc/30/93/91/984309391.db2.gz LJKRVVYSEJJGEJ-UHFFFAOYSA-N -1 0 383.473 3.222 20 30 GGEDRM C=CCN(Cc1ccc(Cl)s1)S(=O)(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC001588829185 984312558 /nfs/dbraw/zinc/31/25/58/984312558.db2.gz HMWDJAKCXXXNLL-QWHCGFSZSA-N -1 0 377.915 3.363 20 30 GGEDRM C=CCN(Cc1ccccc1F)C(=O)NCc1ccc(Cl)c(C(=O)[O-])n1 ZINC001588831682 984316206 /nfs/dbraw/zinc/31/62/06/984316206.db2.gz IVBMHPRGISSJCB-UHFFFAOYSA-N -1 0 377.803 3.470 20 30 GGEDRM C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1cc(C(=O)[O-])cc(C(=O)OC)c1 ZINC001588832559 984323290 /nfs/dbraw/zinc/32/32/90/984323290.db2.gz JGFCRHUBTKIPHM-UHFFFAOYSA-N -1 0 398.415 3.400 20 30 GGEDRM C=CCN1C(=O)N[C@H](c2ccc(OC)c(Br)c2)C(C(=O)[O-])=C1C ZINC001588832518 984323633 /nfs/dbraw/zinc/32/36/33/984323633.db2.gz QGVPMHIOODBHFR-CQSZACIVSA-N -1 0 381.226 3.069 20 30 GGEDRM C=CCN(Cc1cccc(C#N)c1)C(=O)NCc1ccc(C(=O)[O-])c(OC)c1 ZINC001588832634 984324289 /nfs/dbraw/zinc/32/42/89/984324289.db2.gz LWICNPOWWRAOJY-UHFFFAOYSA-N -1 0 379.416 3.163 20 30 GGEDRM C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1nc2c(s1)CC[C@@H](C(=O)[O-])C2 ZINC001588832710 984325280 /nfs/dbraw/zinc/32/52/80/984325280.db2.gz NGDDPPLDDIPUEH-OAHLLOKOSA-N -1 0 396.472 3.424 20 30 GGEDRM C=CCN(Cc1ccc(OC)cc1)Cc1nc(=O)c2c(C)c(C(=O)[O-])sc2[nH]1 ZINC001588832718 984325382 /nfs/dbraw/zinc/32/53/82/984325382.db2.gz NMUUSIPUMYBERH-UHFFFAOYSA-N -1 0 399.472 3.188 20 30 GGEDRM C=CCN1C(=O)c2ccc(C(=O)Nc3c(C)sc(C)c3C(=O)[O-])cc2C1=O ZINC001588836803 984330268 /nfs/dbraw/zinc/33/02/68/984330268.db2.gz INHZATAJYZXVNO-UHFFFAOYSA-N -1 0 384.413 3.097 20 30 GGEDRM C=CCN1C(=O)c2ccc(C(=O)Oc3ccc(C(=O)[O-])c(Cl)c3)cc2C1=O ZINC001588837276 984333802 /nfs/dbraw/zinc/33/38/02/984333802.db2.gz XEVFSSZZZFOHFB-UHFFFAOYSA-N -1 0 385.759 3.039 20 30 GGEDRM C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(C)c(C)c3C(=O)[O-])cc2C1=O ZINC001588837334 984334527 /nfs/dbraw/zinc/33/45/27/984334527.db2.gz ZFQVWLRBVTWXFK-UHFFFAOYSA-N -1 0 378.384 3.036 20 30 GGEDRM C=CCNC(=O)c1ccc(NC(=O)N[C@@H](C)[C@@H](Cc2ccccc2)C(=O)[O-])cc1 ZINC001588844386 984357118 /nfs/dbraw/zinc/35/71/18/984357118.db2.gz WMGZDDQMVSKAGA-HNAYVOBHSA-N -1 0 395.459 3.056 20 30 GGEDRM C=CCOC[C@H](NC(=O)/C(=C\c1ccc(F)cc1)c1cccs1)C(=O)[O-] ZINC001588850831 984380291 /nfs/dbraw/zinc/38/02/91/984380291.db2.gz GZKCYEADIOMVCN-QZFKAFNDSA-N -1 0 375.421 3.200 20 30 GGEDRM C=CCOC[C@H](NC(=O)c1c(C)onc1-c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC001588856641 984401483 /nfs/dbraw/zinc/40/14/83/984401483.db2.gz OFPXZTBRWLTFNB-ZDUSSCGKSA-N -1 0 399.230 3.342 20 30 GGEDRM C=CCOC[C@@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc21)C(=O)[O-] ZINC001588859148 984403339 /nfs/dbraw/zinc/40/33/39/984403339.db2.gz AZHURDDPHKTKJW-HXUWFJFHSA-N -1 0 376.412 3.287 20 30 GGEDRM C=CCOC[C@@H](NC(=O)c1ccc(-c2cccc3cccnc32)cc1)C(=O)[O-] ZINC001588859660 984407425 /nfs/dbraw/zinc/40/74/25/984407425.db2.gz SDOSHNPHCPQIPH-LJQANCHMSA-N -1 0 376.412 3.287 20 30 GGEDRM C=CCOC[C@@H](NC(=O)c1ccc(COc2ccc(Cl)cc2)cc1)C(=O)[O-] ZINC001588861713 984415998 /nfs/dbraw/zinc/41/59/98/984415998.db2.gz KVWGPNUSDAHLDW-GOSISDBHSA-N -1 0 389.835 3.305 20 30 GGEDRM C=CCOC[C@@H](NC(=O)c1ccccc1CSc1nc(C)cs1)C(=O)[O-] ZINC001588862130 984417426 /nfs/dbraw/zinc/41/74/26/984417426.db2.gz QSBIYGVMOWPZTC-OAHLLOKOSA-N -1 0 392.502 3.129 20 30 GGEDRM C=CCOC[C@@H](NC(=O)c1ccc(COc2ccc3ccccc3c2)o1)C(=O)[O-] ZINC001588862226 984417947 /nfs/dbraw/zinc/41/79/47/984417947.db2.gz SGOXVPJRBKTDPR-LJQANCHMSA-N -1 0 395.411 3.397 20 30 GGEDRM C=CCOc1ccc(Cn2c([C@@H](C)CC)nnc2N2CC[C@@H](C(=O)[O-])C2)cc1 ZINC001588872796 984442543 /nfs/dbraw/zinc/44/25/43/984442543.db2.gz KQODXOKOJPVCSQ-DOTOQJQBSA-N -1 0 384.480 3.316 20 30 GGEDRM C=CCOc1cccc(NC(=O)N2CCN(c3ccc(C(=O)[O-])s3)CC2)c1 ZINC001588872839 984442644 /nfs/dbraw/zinc/44/26/44/984442644.db2.gz MSGARKPVEMKOKX-UHFFFAOYSA-N -1 0 387.461 3.365 20 30 GGEDRM C=CCOc1ccc(CNC(=O)N[C@H]2CCSC3(CC(C(=O)[O-])C3)C2)cc1 ZINC001588873503 984444180 /nfs/dbraw/zinc/44/41/80/984444180.db2.gz BPRDJEAUNWAGTB-NGEICVOHSA-N -1 0 390.505 3.180 20 30 GGEDRM C=CCOc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2C(=O)[O-])cc1 ZINC001588874833 984449420 /nfs/dbraw/zinc/44/94/20/984449420.db2.gz IFGIQEVTFXQRMW-UHFFFAOYSA-N -1 0 382.416 3.039 20 30 GGEDRM C=CCOc1ccc(/C=C\C(=O)NC[C@H](C(=O)[O-])c2ccc(F)cc2)cc1OC ZINC001588874848 984449422 /nfs/dbraw/zinc/44/94/22/984449422.db2.gz JDPNZZBFLKHBRM-YYLWEKDPSA-N -1 0 399.418 3.397 20 30 GGEDRM C=CCOc1ccc(/C=C/C(=O)N[C@@H](C)c2ncc(C(=O)[O-])s2)cc1OC ZINC001588875028 984450471 /nfs/dbraw/zinc/45/04/71/984450471.db2.gz RAOVVHBTHNNBBT-WMADIVHISA-N -1 0 388.445 3.305 20 30 GGEDRM C=CCOc1ccccc1Cn1c(C2CC2)nnc1N1CCC[C@H](C(=O)[O-])C1 ZINC001588877220 984452218 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ZINC001588884934 984464686 /nfs/dbraw/zinc/46/46/86/984464686.db2.gz HTOOOBBHMYZOFR-UHFFFAOYSA-N -1 0 393.399 3.230 20 30 GGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)Cc1ccc(-n2cccn2)cc1 ZINC001588885071 984465073 /nfs/dbraw/zinc/46/50/73/984465073.db2.gz KQCOIHUZPKUDFG-UHFFFAOYSA-N -1 0 392.411 3.456 20 30 GGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)c1cccc(OCCOC)c1 ZINC001588885086 984465193 /nfs/dbraw/zinc/46/51/93/984465193.db2.gz LAYMJXUVDTXYMV-UHFFFAOYSA-N -1 0 386.400 3.366 20 30 GGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)c1cc2nccnc2cc1F ZINC001588885270 984466944 /nfs/dbraw/zinc/46/69/44/984466944.db2.gz NQGFTSQDKJLCFD-UHFFFAOYSA-N -1 0 382.347 3.423 20 30 GGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)Cc1nn(C)c2ccccc12 ZINC001588885323 984466983 /nfs/dbraw/zinc/46/69/83/984466983.db2.gz OZWGHDVDNYLKKD-UHFFFAOYSA-N -1 0 380.400 3.157 20 30 GGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)c1cccc(C(=O)NCCC)c1 ZINC001588885298 984467017 /nfs/dbraw/zinc/46/70/17/984467017.db2.gz OBKGJDPBPAJVHH-UHFFFAOYSA-N -1 0 397.427 3.481 20 30 GGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)c1cnn(-c2ccccn2)c1C ZINC001588885344 984467118 /nfs/dbraw/zinc/46/71/18/984467118.db2.gz PLUAVAGFAUHJDA-UHFFFAOYSA-N -1 0 393.399 3.230 20 30 GGEDRM C=CCc1ccc(OCC(=O)N(C)[C@@H](C(=O)[O-])c2cccc(OC)c2)c(OC)c1 ZINC001588885420 984467724 /nfs/dbraw/zinc/46/77/24/984467724.db2.gz KGFGRHKXAKUGNO-OAQYLSRUSA-N -1 0 399.443 3.095 20 30 GGEDRM C=CCc1ccc(OCC(=O)N2CCCc3ccc(C(=O)[O-])cc32)c(OC)c1 ZINC001588885488 984468178 /nfs/dbraw/zinc/46/81/78/984468178.db2.gz MSDQGDVSQZBTSJ-UHFFFAOYSA-N -1 0 381.428 3.480 20 30 GGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)[C@@H](C)N1Cc2ccccc2C1=O ZINC001588885665 984469162 /nfs/dbraw/zinc/46/91/62/984469162.db2.gz WBJJYISBHRUZCI-CYBMUJFWSA-N -1 0 395.411 3.072 20 30 GGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)Cc1cn2cc(F)ccc2n1 ZINC001588885657 984469256 /nfs/dbraw/zinc/46/92/56/984469256.db2.gz VXQOSEUTXMSNCR-UHFFFAOYSA-N -1 0 384.363 3.057 20 30 GGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)c1cnc(OC)c(Cl)c1 ZINC001588885844 984469910 /nfs/dbraw/zinc/46/99/10/984469910.db2.gz ZCOHHTOHWJLEQK-UHFFFAOYSA-N -1 0 377.780 3.398 20 30 GGEDRM C=CCc1cc([N+](=O)[O-])ccc1OS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1C ZINC001588885904 984470447 /nfs/dbraw/zinc/47/04/47/984470447.db2.gz YYGLAQJJZWYACH-UHFFFAOYSA-N -1 0 395.364 3.237 20 30 GGEDRM C=CCn1c(-c2c[nH]c(C3CC3)n2)nnc1N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC001588886412 984471686 /nfs/dbraw/zinc/47/16/86/984471686.db2.gz HPCDUSYWJNNXMH-CQSZACIVSA-N -1 0 384.484 3.059 20 30 GGEDRM C=CCn1c(-c2cc(C)nc3ccccc32)nnc1N1CC[C@@](C)(C(=O)[O-])C1 ZINC001588886529 984472164 /nfs/dbraw/zinc/47/21/64/984472164.db2.gz KJEWHVJGKHQLTH-OAQYLSRUSA-N -1 0 377.448 3.289 20 30 GGEDRM C=CCc1cccc(F)c1OS(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1OC ZINC001588886472 984472452 /nfs/dbraw/zinc/47/24/52/984472452.db2.gz IQPWLIZEDGEPEL-UHFFFAOYSA-N -1 0 396.392 3.037 20 30 GGEDRM C=CCn1c(-c2ccc(C)c3cccnc23)nnc1N1CCC(C(=O)[O-])CC1 ZINC001588888721 984475366 /nfs/dbraw/zinc/47/53/66/984475366.db2.gz BATVNBSLIDQERU-UHFFFAOYSA-N -1 0 377.448 3.289 20 30 GGEDRM C=CCn1c(-c2ccc3sccc3n2)nnc1N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001588888772 984476004 /nfs/dbraw/zinc/47/60/04/984476004.db2.gz CRPBPXHJFVNJTK-QWHCGFSZSA-N -1 0 383.477 3.288 20 30 GGEDRM C=CCn1c(-c2ccc3ncccc3c2)nnc1N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001588888858 984476283 /nfs/dbraw/zinc/47/62/83/984476283.db2.gz GRRJCPHHHQCGBA-WMLDXEAASA-N -1 0 377.448 3.226 20 30 GGEDRM C=CCn1c(-c2ccc(C)o2)nnc1N1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC001588889054 984477025 /nfs/dbraw/zinc/47/70/25/984477025.db2.gz JPYGNKPPXGDXLR-IAGOWNOFSA-N -1 0 378.432 3.337 20 30 GGEDRM C=CCn1c(-c2ccc(Cl)nc2)nnc1N1CCc2ccc(C(=O)[O-])cc2C1 ZINC001588889464 984480128 /nfs/dbraw/zinc/48/01/28/984480128.db2.gz VWKOYGCMTPLIGG-UHFFFAOYSA-N -1 0 395.850 3.440 20 30 GGEDRM C=CCn1c(-c2coc(C)c2)nnc1N1CCC(c2cc(C(=O)[O-])on2)CC1 ZINC001588889701 984481333 /nfs/dbraw/zinc/48/13/33/984481333.db2.gz ARGQGRBAWNQBGM-UHFFFAOYSA-N -1 0 383.408 3.103 20 30 GGEDRM C=CCn1c(-c2ccoc2)nnc1N1CCN(c2ccc(C(=O)[O-])cc2)C[C@H]1C ZINC001588890101 984483655 /nfs/dbraw/zinc/48/36/55/984483655.db2.gz OLHHEHWSBBCKSP-OAHLLOKOSA-N -1 0 393.447 3.137 20 30 GGEDRM C=CCn1c(-c2oc(CC3CCCC3)nc2C)nnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001588891222 984486969 /nfs/dbraw/zinc/48/69/69/984486969.db2.gz GFZQNZJOXGKBGF-OAHLLOKOSA-N -1 0 385.468 3.071 20 30 GGEDRM C=CCn1c([C@@H](C)c2ccccn2)nnc1N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC001588895555 984494296 /nfs/dbraw/zinc/49/42/96/984494296.db2.gz IMROGBGOHWZAGK-HOTGVXAUSA-N -1 0 383.496 3.338 20 30 GGEDRM C=CCn1c([C@@H](C)c2ccccn2)nnc1N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC001588895557 984494450 /nfs/dbraw/zinc/49/44/50/984494450.db2.gz IMROGBGOHWZAGK-JKSUJKDBSA-N -1 0 383.496 3.338 20 30 GGEDRM C=CCn1c([C@H](O)CC2CCCCC2)nnc1N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001588895642 984494972 /nfs/dbraw/zinc/49/49/72/984494972.db2.gz KJDJRKJVTBFXTR-USXIJHARSA-N -1 0 376.501 3.015 20 30 GGEDRM C=CCn1c([C@H](OC)C2CCCC2)nnc1N1CCC(CCC(=O)[O-])CC1 ZINC001588895994 984498065 /nfs/dbraw/zinc/49/80/65/984498065.db2.gz PITQMGKPKIFTHC-GOSISDBHSA-N -1 0 376.501 3.423 20 30 GGEDRM C=CCn1c([C@H](O)C2CCCC2)nnc1N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC001588896167 984499636 /nfs/dbraw/zinc/49/96/36/984499636.db2.gz QEEYFPAYZHTNNS-JKSUJKDBSA-N -1 0 376.501 3.015 20 30 GGEDRM C=CCn1c([C@H]2CCCc3cccnc32)nnc1N1CCC[C@@](C)(C(=O)[O-])C1 ZINC001588896366 984500856 /nfs/dbraw/zinc/50/08/56/984500856.db2.gz BQVNUVKNWMVYMS-HRAATJIYSA-N -1 0 381.480 3.018 20 30 GGEDRM C=CCn1c([C@@H]2C[C@H]2OC(C)(C)C)nnc1N1CCC[C@H](CCC(=O)[O-])C1 ZINC001588896409 984501156 /nfs/dbraw/zinc/50/11/56/984501156.db2.gz ISPRHAPBAJFOPY-BZUAXINKSA-N -1 0 376.501 3.216 20 30 GGEDRM C=CCn1c([C@@H]2C[C@@H]2OC(C)(C)C)nnc1N1CCC[C@H](CCC(=O)[O-])C1 ZINC001588896412 984501228 /nfs/dbraw/zinc/50/12/28/984501228.db2.gz ISPRHAPBAJFOPY-OAGGEKHMSA-N -1 0 376.501 3.216 20 30 GGEDRM C=CCn1c(C2CC=CC2)nnc1N1CCC(c2ncc(C(=O)[O-])s2)CC1 ZINC001588896474 984501866 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C=CCn1c(Cc2ccc3ccccc3c2)nnc1N1CC[C@@](F)(C(=O)[O-])C1 ZINC001588904117 984527179 /nfs/dbraw/zinc/52/71/79/984527179.db2.gz HWPYMMMJCTWBFQ-NRFANRHFSA-N -1 0 380.423 3.211 20 30 GGEDRM C=CCn1c(N2CCC(C(=O)[O-])CC2)nnc1C(F)(F)c1ccc(F)cc1 ZINC001588904375 984528734 /nfs/dbraw/zinc/52/87/34/984528734.db2.gz PWRASMHRFPAGCK-UHFFFAOYSA-N -1 0 380.370 3.044 20 30 GGEDRM C=CCn1c(S[C@@H](C(=O)[O-])c2cccc(OC)c2)nnc1-c1cccnc1 ZINC001588904753 984532297 /nfs/dbraw/zinc/53/22/97/984532297.db2.gz BBZWVMNXPZDPLK-MRXNPFEDSA-N -1 0 382.445 3.453 20 30 GGEDRM C=CCn1c(S[C@H](C(=O)[O-])c2ccc(C#N)cc2)nnc1-c1cccnc1 ZINC001588904732 984532423 /nfs/dbraw/zinc/53/24/23/984532423.db2.gz AUJGZNCLNPNWOJ-INIZCTEOSA-N -1 0 377.429 3.316 20 30 GGEDRM C=CCn1c(S[C@H](C(=O)[O-])c2cccc(OC)c2)nnc1-c1cccnc1 ZINC001588904752 984532530 /nfs/dbraw/zinc/53/25/30/984532530.db2.gz BBZWVMNXPZDPLK-INIZCTEOSA-N -1 0 382.445 3.453 20 30 GGEDRM C=CCn1c(S[C@@H](C)C(=O)C(C)(C)C(=O)[O-])nnc1-c1ccc(F)cc1 ZINC001588905107 984535437 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GGEDRM C=CCn1nc(C)c(-c2cc(C(=O)Nc3cc(C)cc(C(=O)[O-])c3)n[nH]2)c1C ZINC001588912646 984552312 /nfs/dbraw/zinc/55/23/12/984552312.db2.gz LQCAMMNNYLZDRT-UHFFFAOYSA-N -1 0 379.420 3.335 20 30 GGEDRM C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1cc(C(=O)[O-])c(Br)cc1C ZINC001588913730 984556090 /nfs/dbraw/zinc/55/60/90/984556090.db2.gz KUSSYUWRNBMXNN-OCCSQVGLSA-N -1 0 383.242 3.311 20 30 GGEDRM CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1sc(C)c(C)c1C(=O)[O-] ZINC001588924896 984584272 /nfs/dbraw/zinc/58/42/72/984584272.db2.gz HIOPJWIGTIZARQ-LBPRGKRZSA-N -1 0 380.466 3.308 20 30 GGEDRM CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC001588925142 984585152 /nfs/dbraw/zinc/58/51/52/984585152.db2.gz LAZKUVHNPFYCPG-YOEHRIQHSA-N -1 0 388.464 3.195 20 30 GGEDRM CC#CCCCC(=O)N(C)[C@H](C(=O)[O-])c1cc(OC)ccc1Br ZINC001588925209 984585810 /nfs/dbraw/zinc/58/58/10/984585810.db2.gz MXEWJTKPBIMIAK-INIZCTEOSA-N -1 0 382.254 3.235 20 30 GGEDRM CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001588925527 984587671 /nfs/dbraw/zinc/58/76/71/984587671.db2.gz SCSLGAUQTMZXQG-CQSZACIVSA-N -1 0 380.828 3.283 20 30 GGEDRM CC#CCCCC(=O)N[C@H](CC(=O)[O-])c1cccc(I)c1 ZINC001588927133 984597391 /nfs/dbraw/zinc/59/73/91/984597391.db2.gz OHQBLYVOMZQZOS-CQSZACIVSA-N -1 0 399.228 3.117 20 30 GGEDRM CCOC(=O)Nc1ccc(NC(=O)Nc2cccc(C(=O)[O-])c2OC)cc1C#N ZINC001596666144 984730079 /nfs/dbraw/zinc/73/00/79/984730079.db2.gz BULDBCUQLXEMEC-UHFFFAOYSA-N -1 0 398.375 3.477 20 30 GGEDRM CCOC(=O)Nc1ccc(NC(=O)NCCCCCCC(=O)[O-])cc1C#N ZINC001596666589 984731724 /nfs/dbraw/zinc/73/17/24/984731724.db2.gz MALORTXQCAFJKG-UHFFFAOYSA-N -1 0 376.413 3.283 20 30 GGEDRM CCOC(=O)Nc1ccc(NC(=O)c2ccccc2CCC(=O)[O-])cc1C#N ZINC001596666834 984732707 /nfs/dbraw/zinc/73/27/07/984732707.db2.gz ONWKJJGUWUJMPR-UHFFFAOYSA-N -1 0 381.388 3.396 20 30 GGEDRM CCOC(=O)c1[nH]c2c(c1C)C(=O)/C(=C/c1ccc(OCC(=O)[O-])cc1)CC2 ZINC001596691301 984804833 /nfs/dbraw/zinc/80/48/33/984804833.db2.gz HYOWJXFBMGVZTC-GXDHUFHOSA-N -1 0 383.400 3.176 20 30 GGEDRM CC(=[NH+][N-]c1cc(C(=O)[O-])ccc1Br)c1cc([N+](=O)[O-])ccc1N ZINC001589016596 984996461 /nfs/dbraw/zinc/99/64/61/984996461.db2.gz CDLWCPVWZMRLRE-UHFFFAOYSA-N -1 0 393.197 3.474 20 30 GGEDRM CC(=NNC(=S)Nc1cccnc1)c1cnc2sc(C(=O)[O-])c(C)c2c1 ZINC001589016817 984998277 /nfs/dbraw/zinc/99/82/77/984998277.db2.gz KGUXXIIFRCWYLD-UHFFFAOYSA-N -1 0 385.474 3.409 20 30 GGEDRM CC(=NO[C@@H](C)C(=O)Nc1ccc(F)c(F)c1)c1ccc(OCC(=O)[O-])cc1 ZINC001589017383 985003250 /nfs/dbraw/zinc/00/32/50/985003250.db2.gz JXVHPFNYAKIGRA-LBPRGKRZSA-N -1 0 392.358 3.196 20 30 GGEDRM CC(=NO[C@@H](C)C(=O)Nc1ccc(C)c(F)c1)c1ccc(OCC(=O)[O-])cc1 ZINC001589017442 985003996 /nfs/dbraw/zinc/00/39/96/985003996.db2.gz PCWMRNQSATVIPK-AWEZNQCLSA-N -1 0 388.395 3.365 20 30 GGEDRM CC(=NO[C@@H](C)C(=O)N[C@H](C)c1ccccc1C)c1ccc(OCC(=O)[O-])cc1 ZINC001589017606 985004982 /nfs/dbraw/zinc/00/49/82/985004982.db2.gz VZGIMMXEDXZGNR-SJORKVTESA-N -1 0 398.459 3.465 20 30 GGEDRM CC(=NO[C@H](C)C(=O)N[C@H](C)c1ccccc1C)c1ccc(OCC(=O)[O-])cc1 ZINC001589017602 985005501 /nfs/dbraw/zinc/00/55/01/985005501.db2.gz VZGIMMXEDXZGNR-IAGOWNOFSA-N -1 0 398.459 3.465 20 30 GGEDRM CC(=NO[C@@H](C)C(=O)N[C@@H](C)c1ccccc1C)c1ccc(OCC(=O)[O-])cc1 ZINC001589017604 985005641 /nfs/dbraw/zinc/00/56/41/985005641.db2.gz VZGIMMXEDXZGNR-IRXDYDNUSA-N -1 0 398.459 3.465 20 30 GGEDRM CC(=O)[C@@](C#N)(CCN1CCOc2cc(C(=O)[O-])ccc2C1)c1ccccc1 ZINC001589021640 985012413 /nfs/dbraw/zinc/01/24/13/985012413.db2.gz RFRQHTZKQAOHJF-QFIPXVFZSA-N -1 0 378.428 3.020 20 30 GGEDRM CC(=O)[C@](C#N)(CCN1CCOc2c(cccc2C(=O)[O-])C1)c1ccccc1 ZINC001589021684 985012810 /nfs/dbraw/zinc/01/28/10/985012810.db2.gz SICWPUDTQZJELY-JOCHJYFZSA-N -1 0 378.428 3.020 20 30 GGEDRM CC(=NOCc1ccn(-c2cccc(F)c2)n1)c1ccc(OCC(=O)[O-])cc1 ZINC001589021727 985013983 /nfs/dbraw/zinc/01/39/83/985013983.db2.gz UMDVSGKIPWAEQG-UHFFFAOYSA-N -1 0 383.379 3.416 20 30 GGEDRM CC(=O)C1=C(C(=O)[O-])N(CCc2cccs2)C(=O)N[C@H]1c1ccsc1 ZINC001589024521 985036640 /nfs/dbraw/zinc/03/66/40/985036640.db2.gz PLOHOOKIJVHTEV-AWEZNQCLSA-N -1 0 376.459 3.046 20 30 GGEDRM CC(=O)C1=C(C(=O)[O-])N(CC2CC2)C(=O)N[C@H]1c1csc(Cl)c1Cl ZINC001589024718 985039400 /nfs/dbraw/zinc/03/94/00/985039400.db2.gz XEWGKWBOUYZIJZ-NSHDSACASA-N -1 0 389.260 3.459 20 30 GGEDRM CCOC(=O)c1cnc(N=NCc2ccc(-c3ccc(C(=O)[O-])cc3)o2)nc1C ZINC001596740061 985043272 /nfs/dbraw/zinc/04/32/72/985043272.db2.gz QJHUWOVYZPHIST-UHFFFAOYSA-N -1 0 394.387 3.366 20 30 GGEDRM CCOC(=O)c1csc([C@H]2CCCN2[C@@H](C(=O)[O-])c2cccc(C#N)c2)n1 ZINC001596746604 985066865 /nfs/dbraw/zinc/06/68/65/985066865.db2.gz HRGYAESJRBHTHP-HZPDHXFCSA-N -1 0 385.445 3.154 20 30 GGEDRM C[C@H]1CN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)C[C@@H](C(=O)[O-])O1 ZINC001599922787 985159764 /nfs/dbraw/zinc/15/97/64/985159764.db2.gz WLDXALUYTCCAJL-JVPBZIDWSA-N -1 0 379.416 3.048 20 30 GGEDRM C[C@H]1CN(C(=O)c2ccc(OCc3ccccc3C#N)cc2)C[C@]1(C)C(=O)[O-] ZINC001599924874 985187020 /nfs/dbraw/zinc/18/70/20/985187020.db2.gz NKWVMGYEYORZCZ-NYHFZMIOSA-N -1 0 378.428 3.320 20 30 GGEDRM C[C@H]1CN(C(=O)c2ccccc2SCc2ccc(C#N)cc2)C[C@@H](C(=O)[O-])O1 ZINC001599925464 985193557 /nfs/dbraw/zinc/19/35/57/985193557.db2.gz RHAVLNODACVMBY-KSSFIOAISA-N -1 0 396.468 3.165 20 30 GGEDRM Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC001599941734 985463066 /nfs/dbraw/zinc/46/30/66/985463066.db2.gz RFACYUUMSTWPRI-UHFFFAOYSA-N -1 0 399.472 3.486 20 30 GGEDRM Cc1[nH]c(C(=O)[C@@H](C)OC(=O)[C@H](C)Cc2ccc(C#N)cc2)c(C)c1C(=O)[O-] ZINC001599942717 985475192 /nfs/dbraw/zinc/47/51/92/985475192.db2.gz BQEGLSMFAVTYME-BXUZGUMPSA-N -1 0 382.416 3.195 20 30 GGEDRM C[C@H]1CN(C(=O)Nc2cccc(C#Cc3cccc(C(=O)[O-])c3)c2)C[C@H](C)O1 ZINC001594481556 985529677 /nfs/dbraw/zinc/52/96/77/985529677.db2.gz DFYUQRFUXCAXKY-HOTGVXAUSA-N -1 0 378.428 3.426 20 30 GGEDRM CC(=O)Nc1cc(Cl)c(NC(=O)N2CCC[C@@H](CC#N)C2)cc1C(=O)[O-] ZINC001589172966 985534273 /nfs/dbraw/zinc/53/42/73/985534273.db2.gz PZDQBXZZVWOBBW-NSHDSACASA-N -1 0 378.816 3.154 20 30 GGEDRM C[C@@H]1CN(C(=O)Nc2cccc(C#Cc3cccc(C(=O)[O-])c3)c2)C[C@@]1(C)CO ZINC001594482843 985543272 /nfs/dbraw/zinc/54/32/72/985543272.db2.gz VVJRPPCLPSNQPV-MWTRTKDXSA-N -1 0 392.455 3.267 20 30 GGEDRM CC(=O)Nc1cc(Cl)c(NC(=O)c2ncc(C#N)cc2Cl)cc1C(=O)[O-] ZINC001589178847 985546067 /nfs/dbraw/zinc/54/60/67/985546067.db2.gz BTAJXWWWEFFLGR-UHFFFAOYSA-N -1 0 393.186 3.169 20 30 GGEDRM CC(=O)Nc1cccc(-n2cnnc2SCc2cccc(C(=O)[O-])c2C#N)c1 ZINC001589205453 985669558 /nfs/dbraw/zinc/66/95/58/985669558.db2.gz GUPUNPAKRINFDR-UHFFFAOYSA-N -1 0 393.428 3.088 20 30 GGEDRM Cc1c(Br)cc(CN(CC#N)CCC(=O)[O-])cc1Br ZINC001599970405 985996874 /nfs/dbraw/zinc/99/68/74/985996874.db2.gz HZDSSODOWKGKHM-UHFFFAOYSA-N -1 0 390.075 3.320 20 30 GGEDRM Cc1c(Br)ccc(N)c1C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC001599970712 986002148 /nfs/dbraw/zinc/00/21/48/986002148.db2.gz AQVROOMNSOHNIC-OAHLLOKOSA-N -1 0 389.205 3.194 20 30 GGEDRM CCOCCN(Cc1ccc(C(=O)[O-])o1)C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC001596927896 986005726 /nfs/dbraw/zinc/00/57/26/986005726.db2.gz ZRKIWAAYFQNGCR-ZWKOTPCHSA-N -1 0 382.416 3.018 20 30 GGEDRM Cc1c(C#N)cccc1C(=O)N[C@@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)[O-] ZINC001599973393 986047962 /nfs/dbraw/zinc/04/79/62/986047962.db2.gz QZQCZFWVZRNINQ-INIZCTEOSA-N -1 0 392.333 3.191 20 30 GGEDRM Cc1c(C)n(C2CCCC2)c(NC(=O)CN2CCCCC[C@@H]2C(=O)[O-])c1C#N ZINC001599973559 986049983 /nfs/dbraw/zinc/04/99/83/986049983.db2.gz ZJAUFCNFYMFDFB-GOSISDBHSA-N -1 0 386.496 3.359 20 30 GGEDRM Cc1c(C)n(C2CCCCC2)c(NC(=O)CN2CCC[C@@]2(C)C(=O)[O-])c1C#N ZINC001599973565 986050688 /nfs/dbraw/zinc/05/06/88/986050688.db2.gz ZKNHGQNOPNLERM-NRFANRHFSA-N -1 0 386.496 3.359 20 30 GGEDRM Cc1c(C(=O)/C=C/c2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)cccc1[N+](=O)[O-] ZINC001599975037 986075731 /nfs/dbraw/zinc/07/57/31/986075731.db2.gz PVSIXTNNCFOBAB-FNORWQNLSA-N -1 0 386.316 3.171 20 30 GGEDRM C[C@@H](C#N)CN(C1CC1)S(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)[O-] ZINC001589330352 986171571 /nfs/dbraw/zinc/17/15/71/986171571.db2.gz AXZPAGIWOHJCEO-QMMMGPOBSA-N -1 0 377.249 3.004 20 30 GGEDRM C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccc(C(=O)[O-])n1C ZINC001589331864 986193441 /nfs/dbraw/zinc/19/34/41/986193441.db2.gz QVFDAOZYKVFTJF-NSHDSACASA-N -1 0 379.338 3.297 20 30 GGEDRM C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCCCC[C@@H]1C(=O)[O-] ZINC001589331905 986193446 /nfs/dbraw/zinc/19/34/46/986193446.db2.gz SRKKMAIBAAPVFK-GDBMZVCRSA-N -1 0 375.494 3.206 20 30 GGEDRM C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1 ZINC001589331920 986193485 /nfs/dbraw/zinc/19/34/85/986193485.db2.gz TYQHMVYYQJKIPV-VBNZEHGJSA-N -1 0 398.381 3.358 20 30 GGEDRM C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1ccc(C(=O)[O-])o1 ZINC001589331961 986194754 /nfs/dbraw/zinc/19/47/54/986194754.db2.gz UTEVBQWCXLPUGV-NSHDSACASA-N -1 0 388.401 3.025 20 30 GGEDRM C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccnc(C(=O)[O-])c1 ZINC001589332003 986195738 /nfs/dbraw/zinc/19/57/38/986195738.db2.gz VNYYAICLGPNNNN-NSHDSACASA-N -1 0 377.322 3.353 20 30 GGEDRM C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@]1(CC(=O)[O-])CCCOC1 ZINC001589332104 986197016 /nfs/dbraw/zinc/19/70/16/986197016.db2.gz XTXDYNWGIIBTFS-UGSOOPFHSA-N -1 0 377.466 3.084 20 30 GGEDRM C[C@@H](C#N)Oc1ccccc1NC(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001589334474 986201191 /nfs/dbraw/zinc/20/11/91/986201191.db2.gz FBLCDRMUVRIRDN-BHYGNILZSA-N -1 0 379.416 3.310 20 30 GGEDRM C[C@@H](C#N)Oc1ccccc1NC(=O)N(C)Cc1ccc(OCC(=O)[O-])cc1 ZINC001589334576 986203913 /nfs/dbraw/zinc/20/39/13/986203913.db2.gz HDJCSUQDGRXXEJ-AWEZNQCLSA-N -1 0 383.404 3.105 20 30 GGEDRM C[C@@H](C#N)Oc1ccccc1NC(=O)N1C[C@H](C(F)(F)F)C[C@H](C(=O)[O-])C1 ZINC001589335928 986215313 /nfs/dbraw/zinc/21/53/13/986215313.db2.gz UXMXIBSCIUQSSD-SDDRHHMPSA-N -1 0 385.342 3.094 20 30 GGEDRM C[C@H](C#N)Oc1ccccc1NC(=O)N1C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C1 ZINC001589335931 986215560 /nfs/dbraw/zinc/21/55/60/986215560.db2.gz UXMXIBSCIUQSSD-UTUOFQBUSA-N -1 0 385.342 3.094 20 30 GGEDRM C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCc2c(cccc2C(=O)[O-])C1 ZINC001589341593 986253429 /nfs/dbraw/zinc/25/34/29/986253429.db2.gz HYIAMXXFXGFQMG-MRXNPFEDSA-N -1 0 377.444 3.078 20 30 GGEDRM C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCc2cccc(C(=O)[O-])c2C1 ZINC001589341929 986259916 /nfs/dbraw/zinc/25/99/16/986259916.db2.gz QXEAHBMEOPBMRY-HNNXBMFYSA-N -1 0 395.434 3.217 20 30 GGEDRM CCOc1cc(C(=O)N(C)[C@H](C)c2cccc(C#N)c2)ccc1OCC(=O)[O-] ZINC001596993422 986281857 /nfs/dbraw/zinc/28/18/57/986281857.db2.gz ADOHYISBEAGVKS-CQSZACIVSA-N -1 0 382.416 3.254 20 30 GGEDRM CCOc1cc(C#N)cc(Cl)c1OC(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001596993568 986284400 /nfs/dbraw/zinc/28/44/00/986284400.db2.gz LHALRKYJMONTQM-UHFFFAOYSA-N -1 0 375.764 3.293 20 30 GGEDRM C[C@H](C(=O)N1CCC(C#N)(C(=O)[O-])CC1)c1cccc(C(=O)c2ccccc2)c1 ZINC001589346247 986284763 /nfs/dbraw/zinc/28/47/63/986284763.db2.gz NGDSYIHUZPABCY-INIZCTEOSA-N -1 0 390.439 3.238 20 30 GGEDRM CCOc1cc(C#N)ccc1OCC(=O)Nc1sc2c(c1C(=O)[O-])CCC2 ZINC001596993559 986284822 /nfs/dbraw/zinc/28/48/22/986284822.db2.gz KSXIUDYQUKJXMH-UHFFFAOYSA-N -1 0 386.429 3.223 20 30 GGEDRM CCOc1cc(C(=O)[O-])ccc1NC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC001597009119 986340494 /nfs/dbraw/zinc/34/04/94/986340494.db2.gz JHCMEYDNIAICED-OAHLLOKOSA-N -1 0 397.406 3.259 20 30 GGEDRM C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1C(=O)Nc1ccc(CC#N)cc1 ZINC001594566537 986352679 /nfs/dbraw/zinc/35/26/79/986352679.db2.gz CITNHZZHHAXRCZ-OAHLLOKOSA-N -1 0 378.432 3.193 20 30 GGEDRM C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1C(=O)c1ccc(C#N)c(Cl)c1 ZINC001594568154 986367728 /nfs/dbraw/zinc/36/77/28/986367728.db2.gz IYKQWTHSLMAQJN-CYBMUJFWSA-N -1 0 383.835 3.261 20 30 GGEDRM C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1C(=O)c1ccc(C#N)c(Cl)c1 ZINC001594568159 986368295 /nfs/dbraw/zinc/36/82/95/986368295.db2.gz IYKQWTHSLMAQJN-ZDUSSCGKSA-N -1 0 383.835 3.261 20 30 GGEDRM CCOc1cc(C(=O)[O-])ccc1NC(=O)N1CCc2c(CC#N)cccc2C1 ZINC001597016685 986384985 /nfs/dbraw/zinc/38/49/85/986384985.db2.gz JHPDTECSQOZEON-UHFFFAOYSA-N -1 0 379.416 3.440 20 30 GGEDRM CCOc1cc(C(=O)[O-])ccc1NC(=O)c1cnc(C(F)(F)F)c(C#N)c1 ZINC001597025151 986430007 /nfs/dbraw/zinc/43/00/07/986430007.db2.gz GONQMARGRKGDAY-UHFFFAOYSA-N -1 0 379.294 3.321 20 30 GGEDRM CCOc1cc(/C=C2\CCn3nc(C(=O)[O-])cc3C2=O)cc(Cl)c1OC ZINC001597030349 986442908 /nfs/dbraw/zinc/44/29/08/986442908.db2.gz CFOSIQLRYNFFQN-IZZDOVSWSA-N -1 0 376.796 3.312 20 30 GGEDRM C[C@@H]1COCC[C@H]1NC(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC001594603670 986553413 /nfs/dbraw/zinc/55/34/13/986553413.db2.gz KXKLSKYGNVOGIS-FOIQADDNSA-N -1 0 378.428 3.331 20 30 GGEDRM CCOc1ccc(C[C@@H](CNC(=O)C#Cc2ccc(CC)cc2)C(=O)[O-])cc1 ZINC001597085369 986652073 /nfs/dbraw/zinc/65/20/73/986652073.db2.gz UPHAPJWKZAEARH-FQEVSTJZSA-N -1 0 379.456 3.059 20 30 GGEDRM CCOc1ccc(C[C@H](CNC(=O)Nc2cc(F)cc(C#N)c2)C(=O)[O-])cc1 ZINC001597087839 986656341 /nfs/dbraw/zinc/65/63/41/986656341.db2.gz CHOUYCMHEMYBIA-OAHLLOKOSA-N -1 0 385.395 3.161 20 30 GGEDRM CCOc1ccc(C[C@@H](CNC(=O)Nc2cc(F)cc(C#N)c2)C(=O)[O-])cc1 ZINC001597087835 986656673 /nfs/dbraw/zinc/65/66/73/986656673.db2.gz CHOUYCMHEMYBIA-HNNXBMFYSA-N -1 0 385.395 3.161 20 30 GGEDRM CCOc1ccc(C[C@H](CNC(=O)Nc2cc(C#N)c(F)cc2C)C(=O)[O-])cc1 ZINC001597089026 986667453 /nfs/dbraw/zinc/66/74/53/986667453.db2.gz RIVAIMCGLUNESZ-MRXNPFEDSA-N -1 0 399.422 3.470 20 30 GGEDRM CCOc1ccc(C[C@@H](CNC(=O)Nc2ccc(OC)c(C#N)c2)C(=O)[O-])cc1 ZINC001597089099 986668408 /nfs/dbraw/zinc/66/84/08/986668408.db2.gz VBAPJSCKCYWQTB-INIZCTEOSA-N -1 0 397.431 3.031 20 30 GGEDRM CCOc1ccc(C[C@H](CNC(=O)c2c[nH]c3cccc(C#N)c23)C(=O)[O-])cc1 ZINC001597089302 986670063 /nfs/dbraw/zinc/67/00/63/986670063.db2.gz PXGHXSORAWOUDK-MRXNPFEDSA-N -1 0 391.427 3.112 20 30 GGEDRM CCOc1ccc(C[C@@H](CNC(=O)Nc2cccc(CC#N)c2)C(=O)[O-])cc1 ZINC001597089493 986671946 /nfs/dbraw/zinc/67/19/46/986671946.db2.gz YPKDLSPEHBLOPA-KRWDZBQOSA-N -1 0 381.432 3.216 20 30 GGEDRM C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC001589431102 986724898 /nfs/dbraw/zinc/72/48/98/986724898.db2.gz DMQZCCYXLHYFOT-SJKOYZFVSA-N -1 0 383.835 3.223 20 30 GGEDRM C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC001589448452 986823757 /nfs/dbraw/zinc/82/37/57/986823757.db2.gz KSIDXRHUHQXABC-SJKOYZFVSA-N -1 0 395.484 3.119 20 30 GGEDRM C[C@H](C(=O)[O-])[C@H](NC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1)c1ccccc1 ZINC001589453040 986855838 /nfs/dbraw/zinc/85/58/38/986855838.db2.gz CDWLWMDXULTOGB-VHFSOBRXSA-N -1 0 395.434 3.102 20 30 GGEDRM CCOc1ccc(OCC)c(NC(=S)NN=Cc2cc(C(=O)[O-])co2)c1 ZINC001597132948 986860923 /nfs/dbraw/zinc/86/09/23/986860923.db2.gz WWJBMSZEDBVRLY-UHFFFAOYSA-N -1 0 377.422 3.096 20 30 GGEDRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)N2CCN(c3cccc(F)c3C#N)CC2)cc1 ZINC001589511105 987138098 /nfs/dbraw/zinc/13/80/98/987138098.db2.gz ZARWXQROMKBWQO-CQSZACIVSA-N -1 0 396.422 3.240 20 30 GGEDRM CC[C@H](C#N)Oc1cccc(CNC(=O)N2C[C@@H]3CCCC[C@]3(C(=O)[O-])C2)c1 ZINC001594724830 987223290 /nfs/dbraw/zinc/22/32/90/987223290.db2.gz CZIPTHGOGCMTCU-FVJLSDCUSA-N -1 0 385.464 3.154 20 30 GGEDRM CC[C@H](C#N)Oc1cc(CNC(=O)c2cc(F)cc(C(=O)[O-])c2)ccc1OC ZINC001594725404 987230822 /nfs/dbraw/zinc/23/08/22/987230822.db2.gz VHLNCQXUFCZPTC-MRXNPFEDSA-N -1 0 386.379 3.143 20 30 GGEDRM CC(C)(C#N)c1ccc(S(=O)(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])cc1 ZINC001589557729 987306839 /nfs/dbraw/zinc/30/68/39/987306839.db2.gz GKZSCFNBNYIEJM-KRWDZBQOSA-N -1 0 378.494 3.190 20 30 GGEDRM CC(C)(C#N)c1ccc(S(=O)(=O)N[C@H](CC2CCCCC2)C(=O)[O-])cc1 ZINC001589557730 987307434 /nfs/dbraw/zinc/30/74/34/987307434.db2.gz GKZSCFNBNYIEJM-QGZVFWFLSA-N -1 0 378.494 3.190 20 30 GGEDRM CC(C)(C(=O)N1CC[C@H](c2ncc(C(=O)[O-])s2)C1)c1cc(F)cc(C#N)c1 ZINC001589562560 987320221 /nfs/dbraw/zinc/32/02/21/987320221.db2.gz FDBROMVRTDYNNP-LBPRGKRZSA-N -1 0 387.436 3.146 20 30 GGEDRM CCSc1nc(C)c([C@@H](CC)C(=O)N2CCC(C#N)(C(=O)[O-])CC2)s1 ZINC001597279755 987344339 /nfs/dbraw/zinc/34/43/39/987344339.db2.gz KUBIENPFTGNZHI-GFCCVEGCSA-N -1 0 381.523 3.274 20 30 GGEDRM CC(C)(C(=O)[O-])[C@H](NC(=O)NCc1cccc(OCC#N)c1)c1ccccc1 ZINC001589598016 987417705 /nfs/dbraw/zinc/41/77/05/987417705.db2.gz FGZGZELJWZOSNN-GOSISDBHSA-N -1 0 381.432 3.240 20 30 GGEDRM CC(C)(C(=O)[O-])[C@@H](NS(=O)(=O)c1cc(C#N)ccc1Cl)c1ccccc1 ZINC001589601126 987424804 /nfs/dbraw/zinc/42/48/04/987424804.db2.gz FBZMUGYYNVPSQU-INIZCTEOSA-N -1 0 392.864 3.342 20 30 GGEDRM CC(C)(C(=O)[O-])c1ccc(S(=O)(=O)Oc2cc(Cl)ccc2C#N)cc1 ZINC001589644261 987577881 /nfs/dbraw/zinc/57/78/81/987577881.db2.gz QXVSSAUVLLNAEV-UHFFFAOYSA-N -1 0 379.821 3.342 20 30 GGEDRM CC(C)(C(=O)[O-])c1cccc(OC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)c1 ZINC001589650976 987600019 /nfs/dbraw/zinc/60/00/19/987600019.db2.gz REGGHZDNEGPOJE-OAHLLOKOSA-N -1 0 396.418 3.491 20 30 GGEDRM CC(C)(C(=O)[O-])c1cccc(OC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)c1 ZINC001589650975 987600249 /nfs/dbraw/zinc/60/02/49/987600249.db2.gz REGGHZDNEGPOJE-HNNXBMFYSA-N -1 0 396.418 3.491 20 30 GGEDRM CC(C)(C(=O)[O-])n1cc(NC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cn1 ZINC001589672211 987672842 /nfs/dbraw/zinc/67/28/42/987672842.db2.gz MMRFYZVUBZVRGB-DLBZAZTESA-N -1 0 381.436 3.006 20 30 GGEDRM CC(C)(C(=O)[O-])n1cc(NC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)cn1 ZINC001589672214 987672873 /nfs/dbraw/zinc/67/28/73/987672873.db2.gz MMRFYZVUBZVRGB-SJORKVTESA-N -1 0 381.436 3.006 20 30 GGEDRM CCc1cc(C#N)ccc1OS(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001597423936 987746087 /nfs/dbraw/zinc/74/60/87/987746087.db2.gz KJNLIHFNHSZASQ-UHFFFAOYSA-N -1 0 383.784 3.379 20 30 GGEDRM CC(C)(C)[C@H](CC(=O)[O-])NC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC001589702446 987799071 /nfs/dbraw/zinc/79/90/71/987799071.db2.gz HISWLRKUKIYIJK-AWEZNQCLSA-N -1 0 389.843 3.408 20 30 GGEDRM CC(C)(C)[C@H](CC(=O)[O-])NC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 ZINC001589702646 987802096 /nfs/dbraw/zinc/80/20/96/987802096.db2.gz NVNVGWGCLYLVPH-AWEZNQCLSA-N -1 0 389.843 3.408 20 30 GGEDRM CCc1cc(C(=O)[O-])ccc1NC(=O)N1CCC[C@@H](Nc2ccc(C#N)cn2)C1 ZINC001597451935 987845321 /nfs/dbraw/zinc/84/53/21/987845321.db2.gz CGPGHYDXOMNTKD-QGZVFWFLSA-N -1 0 393.447 3.322 20 30 GGEDRM CCc1cc(C(=O)[O-])ccc1NC(=O)NC1CCN(c2ccc(C#N)cn2)CC1 ZINC001597456895 987866364 /nfs/dbraw/zinc/86/63/64/987866364.db2.gz DDKQPSZKOIEAOD-UHFFFAOYSA-N -1 0 393.447 3.004 20 30 GGEDRM CCc1ccc(-c2nc(CC(=O)N3CCC(C#N)(C(=O)[O-])CC3)cs2)cc1 ZINC001597492039 988022644 /nfs/dbraw/zinc/02/26/44/988022644.db2.gz IZKZDOMFZFIZSI-UHFFFAOYSA-N -1 0 383.473 3.132 20 30 GGEDRM CCc1ccc([C@H]2CCCN(S(=O)(=O)c3ccc(C#N)cc3C(=O)[O-])C2)cc1 ZINC001597517366 988131425 /nfs/dbraw/zinc/13/14/25/988131425.db2.gz KSALPLGVETXQRZ-SFHVURJKSA-N -1 0 398.484 3.387 20 30 GGEDRM CC(C)(C)CN(CCC#N)S(=O)(=O)c1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC001589779851 988144366 /nfs/dbraw/zinc/14/43/66/988144366.db2.gz APSIVVUPCBFXSN-UHFFFAOYSA-N -1 0 392.399 3.354 20 30 GGEDRM CC(C)(C)Cc1nc(-c2ccc(C(=O)N3CCC(C#N)(C(=O)[O-])CC3)cc2)no1 ZINC001589789333 988176213 /nfs/dbraw/zinc/17/62/13/988176213.db2.gz ZKGAQKZMMZOQRO-UHFFFAOYSA-N -1 0 396.447 3.156 20 30 GGEDRM CSc1c(C(=O)Nc2cccc(C#Cc3cccc(C(=O)[O-])c3)c2)cnn1C ZINC001599804300 988228880 /nfs/dbraw/zinc/22/88/80/988228880.db2.gz FOOBQPMJZMJZLR-UHFFFAOYSA-N -1 0 391.452 3.492 20 30 GGEDRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)C(=O)/C=C\c2ccc(F)cc2)cc1 ZINC001599810382 988323483 /nfs/dbraw/zinc/32/34/83/988323483.db2.gz TWZXRWRNVRBRJD-OSCZDJLXSA-N -1 0 387.432 3.462 20 30 GGEDRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)C(=O)/C=C/c2ccc(F)cc2)cc1 ZINC001599810379 988323983 /nfs/dbraw/zinc/32/39/83/988323983.db2.gz TWZXRWRNVRBRJD-DPTHPHEISA-N -1 0 387.432 3.462 20 30 GGEDRM CSc1ccc([C@H](CC(=O)[O-])NS(=O)(=O)c2cccc(C)c2C#N)cc1 ZINC001599811608 988345887 /nfs/dbraw/zinc/34/58/87/988345887.db2.gz GXPJHUHINPYWTG-INIZCTEOSA-N -1 0 390.486 3.083 20 30 GGEDRM CSc1ccc(CNC(=O)N(C)Cc2ccc(OCC(=O)[O-])cc2)cc1C#N ZINC001599812732 988365278 /nfs/dbraw/zinc/36/52/78/988365278.db2.gz AYPKBRDHIJVRMX-UHFFFAOYSA-N -1 0 399.472 3.085 20 30 GGEDRM CSc1ccc(CNC(=O)Nc2ccc3[nH]nc(C(=O)[O-])c3c2)cc1C#N ZINC001599812734 988366013 /nfs/dbraw/zinc/36/60/13/988366013.db2.gz BFBSESNVOOFDRY-UHFFFAOYSA-N -1 0 381.417 3.176 20 30 GGEDRM CSc1ccc(CNC(=O)Nc2nc(C(C)(C)C(=O)[O-])cs2)cc1C#N ZINC001599813069 988372194 /nfs/dbraw/zinc/37/21/94/988372194.db2.gz LDBCDSDHPLLBMN-UHFFFAOYSA-N -1 0 390.490 3.421 20 30 GGEDRM CCc1cccc2c3c([nH]c21)[C@](CC)(CC(=O)N(CC#N)CCC(=O)[O-])OCC3 ZINC001597603518 988468024 /nfs/dbraw/zinc/46/80/24/988468024.db2.gz HBXUHJCYQLIGQU-QFIPXVFZSA-N -1 0 397.475 3.125 20 30 GGEDRM CSc1nn(-c2ccccc2)c(NC(=O)c2cc(C)c(C(=O)[O-])o2)c1C#N ZINC001599830204 988660168 /nfs/dbraw/zinc/66/01/68/988660168.db2.gz ZNGPXPRPXWQOAV-UHFFFAOYSA-N -1 0 382.401 3.318 20 30 GGEDRM CCc1nc(NC(=O)c2cccc(C#N)c2Br)sc1C(=O)[O-] ZINC001597685241 988830036 /nfs/dbraw/zinc/83/00/36/988830036.db2.gz MTUKYBPWGATKFY-UHFFFAOYSA-N -1 0 380.223 3.290 20 30 GGEDRM CC(C)(C)OC(=O)N1CC[C@@H](Nc2ccc(C(=O)[O-])nc2C#N)CC12CCC2 ZINC001589981161 988849687 /nfs/dbraw/zinc/84/96/87/988849687.db2.gz BORUTXROCFSZKS-CYBMUJFWSA-N -1 0 386.452 3.386 20 30 GGEDRM CCc1nc2ccc(Cl)cn2c1C(=O)OCc1cccc(C(=O)[O-])c1C#N ZINC001597690693 988873176 /nfs/dbraw/zinc/87/31/76/988873176.db2.gz GLEXKKOYMSRPIY-UHFFFAOYSA-N -1 0 383.791 3.477 20 30 GGEDRM C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1C(=O)[O-])c1ccc(F)cc1Cl ZINC001599842776 988874510 /nfs/dbraw/zinc/87/45/10/988874510.db2.gz ONBHBBYRQZDPSG-SECBINFHSA-N -1 0 382.800 3.088 20 30 GGEDRM CC(C)(C)OC(=O)N1CC[C@@]2(CCCN2Cc2cccc(C(=O)[O-])c2C#N)C1 ZINC001590005522 988952585 /nfs/dbraw/zinc/95/25/85/988952585.db2.gz WPERIJXRYZUUHY-NRFANRHFSA-N -1 0 385.464 3.232 20 30 GGEDRM CC(C)(C)OC(=O)N1CCC[C@@H]1CC(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC001590019271 989008240 /nfs/dbraw/zinc/00/82/40/989008240.db2.gz SYUHVQMSRCPRPK-NVXWUHKLSA-N -1 0 388.420 3.017 20 30 GGEDRM CC(C)(C)OC(=O)N1CCC[C@]2(CCN2Cc2cccc(C(=O)[O-])c2C#N)C1 ZINC001590026334 989026237 /nfs/dbraw/zinc/02/62/37/989026237.db2.gz VVURITGUTKEOLA-NRFANRHFSA-N -1 0 385.464 3.232 20 30 GGEDRM C[C@@H]1CN(C(=O)Nc2cccc(Oc3ccc(C#N)cn3)c2)C[C@H]1CC(=O)[O-] ZINC001599859784 989149173 /nfs/dbraw/zinc/14/91/73/989149173.db2.gz RJUIHIADHIAECW-UKRRQHHQSA-N -1 0 380.404 3.320 20 30 GGEDRM C[C@@H]1CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C[C@@H](C(=O)[O-])O1 ZINC001599861316 989171868 /nfs/dbraw/zinc/17/18/68/989171868.db2.gz WWDCHVOISSDOGK-ACJLOTCBSA-N -1 0 381.388 3.056 20 30 GGEDRM C[C@@H]1CN(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)C[C@H]1CC(=O)[O-] ZINC001599861311 989172091 /nfs/dbraw/zinc/17/20/91/989172091.db2.gz AOXMBISSUAQQCP-IUODEOHRSA-N -1 0 384.461 3.180 20 30 GGEDRM CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)NCc1ccc(C(=O)[O-])s1 ZINC001590124329 989349855 /nfs/dbraw/zinc/34/98/55/989349855.db2.gz KUVRBODQTRKMRN-ZDUSSCGKSA-N -1 0 395.481 3.040 20 30 GGEDRM CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC001590124386 989351378 /nfs/dbraw/zinc/35/13/78/989351378.db2.gz LZMYJKPXEDJXDA-AWEZNQCLSA-N -1 0 379.388 3.050 20 30 GGEDRM CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)Nc1cccc(F)c1C(=O)[O-] ZINC001590124590 989351844 /nfs/dbraw/zinc/35/18/44/989351844.db2.gz OWXUWKNAYQFFCM-CQSZACIVSA-N -1 0 393.415 3.440 20 30 GGEDRM CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC001590125744 989364145 /nfs/dbraw/zinc/36/41/45/989364145.db2.gz ZXFMNFVERNWLCU-OAHLLOKOSA-N -1 0 393.415 3.440 20 30 GGEDRM CC(C)(C)OC(=O)NC1(CC(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)CCC1 ZINC001590127007 989367389 /nfs/dbraw/zinc/36/73/89/989367389.db2.gz CBOLAMWWEPVYAC-MRXNPFEDSA-N -1 0 388.420 3.065 20 30 GGEDRM CC(C)(C)OC(=O)NC1(CC(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)CCC1 ZINC001590127006 989367507 /nfs/dbraw/zinc/36/75/07/989367507.db2.gz CBOLAMWWEPVYAC-INIZCTEOSA-N -1 0 388.420 3.065 20 30 GGEDRM CCc1oc2ccccc2c1CN(C)S(=O)(=O)c1ccc(C#N)cc1C(=O)[O-] ZINC001597807744 989420659 /nfs/dbraw/zinc/42/06/59/989420659.db2.gz IPUCBKYBHMHSHN-UHFFFAOYSA-N -1 0 398.440 3.386 20 30 GGEDRM C[C@@H]1C[C@H]1C(=O)Nc1ccc(F)cc1C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC001599881190 989485825 /nfs/dbraw/zinc/48/58/25/989485825.db2.gz VPJCQYHZAUXWQL-MZKGEVEHSA-N -1 0 396.374 3.275 20 30 GGEDRM CCn1c(Cc2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC001597855419 989607689 /nfs/dbraw/zinc/60/76/89/989607689.db2.gz DYXQYWIUMVWWHK-QGZVFWFLSA-N -1 0 381.480 3.088 20 30 GGEDRM CCn1c(N(C)Cc2cc(C(=O)[O-])c(C)o2)nnc1[C@]1(C#N)CC12CCCC2 ZINC001597858261 989618509 /nfs/dbraw/zinc/61/85/09/989618509.db2.gz CEHIOIJYMCUAGK-HXUWFJFHSA-N -1 0 383.452 3.260 20 30 GGEDRM CC(C)(C)OC(=O)Nc1cccc(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)n1 ZINC001590314683 989742516 /nfs/dbraw/zinc/74/25/16/989742516.db2.gz IBSAPYIKBIUNRK-INIZCTEOSA-N -1 0 397.387 3.283 20 30 GGEDRM CC(C)(C)OC(=O)Nc1cccc(C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)n1 ZINC001590314752 989743643 /nfs/dbraw/zinc/74/36/43/989743643.db2.gz JVERRISYOOIBFD-MRXNPFEDSA-N -1 0 397.387 3.283 20 30 GGEDRM CC(C)(C)Oc1cccc(CCC(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)n1 ZINC001590415991 989954139 /nfs/dbraw/zinc/95/41/39/989954139.db2.gz DIDMIVKDGMIVNX-IBGZPJMESA-N -1 0 382.416 3.432 20 30 GGEDRM CC(C)(C)c1cc(NC(=O)N[C@H](CC(=O)[O-])C2CC2)n(-c2ccc(C#N)cc2)n1 ZINC001590461564 990029698 /nfs/dbraw/zinc/02/96/98/990029698.db2.gz CQNLHJMETXYLBU-MRXNPFEDSA-N -1 0 395.463 3.416 20 30 GGEDRM CC(C)(C)c1cc(NC(=O)N[C@@H](CC(=O)[O-])C2CC2)n(-c2ccc(C#N)cc2)n1 ZINC001590461563 990029810 /nfs/dbraw/zinc/02/98/10/990029810.db2.gz CQNLHJMETXYLBU-INIZCTEOSA-N -1 0 395.463 3.416 20 30 GGEDRM CC(C)(C)c1ccc([C@H]2NC(=S)NC(C(=O)[O-])=C2C(=O)c2ccco2)s1 ZINC001590480642 990067587 /nfs/dbraw/zinc/06/75/87/990067587.db2.gz XNPNSRAXYPTOTA-CYBMUJFWSA-N -1 0 390.486 3.379 20 30 GGEDRM CC(C)(C)c1ccc(OCC2N=NC(=S)N2N=Cc2ccc(C(=O)[O-])[nH]2)cc1 ZINC001590498324 990107221 /nfs/dbraw/zinc/10/72/21/990107221.db2.gz XNAHQBHPWQWHKW-UHFFFAOYSA-N -1 0 399.476 3.352 20 30 GGEDRM CC(C)(C)n1cc(C#N)cc1NC(=O)N1CCOc2c(cccc2C(=O)[O-])C1 ZINC001590589381 990242047 /nfs/dbraw/zinc/24/20/47/990242047.db2.gz XTZVWLQQDNDISH-UHFFFAOYSA-N -1 0 382.420 3.239 20 30 GGEDRM CN(C(=O)Cc1ccc(Br)cc1C#N)[C@H](C(=O)[O-])c1ccccc1 ZINC001598034280 990258128 /nfs/dbraw/zinc/25/81/28/990258128.db2.gz HMUILLJFRIPIJW-KRWDZBQOSA-N -1 0 387.233 3.148 20 30 GGEDRM CC(C)(CC#N)CS(=O)(=O)N[C@H](CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001590616894 990295479 /nfs/dbraw/zinc/29/54/79/990295479.db2.gz SSUHBKAUZDCAKO-CYBMUJFWSA-N -1 0 392.399 3.080 20 30 GGEDRM CN(C(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)(F)F)[C@H]1CCC[C@H]1C#N ZINC001598057263 990324240 /nfs/dbraw/zinc/32/42/40/990324240.db2.gz USUVHKAERDAHKH-AAEUAGOBSA-N -1 0 385.342 3.482 20 30 GGEDRM CC(C)(CCC#N)CNS(=O)(=O)c1cc(C(=O)[O-])cc(C(F)(F)F)c1 ZINC001590655793 990350730 /nfs/dbraw/zinc/35/07/30/990350730.db2.gz CTGRCFHOFFSPJC-UHFFFAOYSA-N -1 0 378.372 3.012 20 30 GGEDRM CC(C)(CCC#N)CNS(=O)(=O)c1cc(C(F)(F)F)ccc1C(=O)[O-] ZINC001590656659 990356486 /nfs/dbraw/zinc/35/64/86/990356486.db2.gz ZNHFOGPDMWLYSP-UHFFFAOYSA-N -1 0 378.372 3.012 20 30 GGEDRM CC(C)(CCNC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1)C(=O)[O-] ZINC001590670444 990370345 /nfs/dbraw/zinc/37/03/45/990370345.db2.gz WQLZMZPPUSSQQG-UHFFFAOYSA-N -1 0 391.899 3.435 20 30 GGEDRM CN(C(=O)c1cc(C#N)cs1)[C@@H](C(=O)[O-])c1ccc(Br)s1 ZINC001598072871 990373005 /nfs/dbraw/zinc/37/30/05/990373005.db2.gz GEKQDKUTQWHHFU-LLVKDONJSA-N -1 0 385.264 3.342 20 30 GGEDRM CN(C(=O)c1ccc(C#N)cc1F)[C@@H](C(=O)[O-])c1cccc(Br)c1 ZINC001598083190 990407438 /nfs/dbraw/zinc/40/74/38/990407438.db2.gz MGOMISFAUWYGGQ-OAHLLOKOSA-N -1 0 391.196 3.358 20 30 GGEDRM CN(C(=O)c1ccc(C#N)cc1F)[C@H](C(=O)[O-])c1cccc(Br)c1 ZINC001598083183 990407646 /nfs/dbraw/zinc/40/76/46/990407646.db2.gz MGOMISFAUWYGGQ-HNNXBMFYSA-N -1 0 391.196 3.358 20 30 GGEDRM CN(C(=O)c1cccc(CNc2ncccc2C#N)c1)C1(C(=O)[O-])CCCCC1 ZINC001598091480 990434704 /nfs/dbraw/zinc/43/47/04/990434704.db2.gz LZEYYRYTYGNLMH-UHFFFAOYSA-N -1 0 392.459 3.425 20 30 GGEDRM CN(C(=O)c1cn(CCCC#N)c2ccccc12)[C@@H](COC1CCC1)C(=O)[O-] ZINC001598096508 990452582 /nfs/dbraw/zinc/45/25/82/990452582.db2.gz SAMDDYPIFZOALA-IBGZPJMESA-N -1 0 383.448 3.039 20 30 GGEDRM CC(C)(CS(=O)(=O)O[C@@H](Cc1ccc(Cl)cc1)C(F)(F)F)C(=O)[O-] ZINC001590811963 990642209 /nfs/dbraw/zinc/64/22/09/990642209.db2.gz CRWUJQUBPCFUHZ-NSHDSACASA-N -1 0 388.791 3.271 20 30 GGEDRM CC(C)(Cc1ccc(C(F)(F)F)cc1)C(=O)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001590821888 990660748 /nfs/dbraw/zinc/66/07/48/990660748.db2.gz HVYNDWRPJDOXPF-UHFFFAOYSA-N -1 0 382.382 3.491 20 30 GGEDRM CC(C)(NC(=O)N[C@@H]1CCSC2(CC(C(=O)[O-])C2)C1)c1cccc(C#N)c1 ZINC001590848518 990721771 /nfs/dbraw/zinc/72/17/71/990721771.db2.gz GYDIICXTPAQVJE-CZDRUDQFSA-N -1 0 387.505 3.222 20 30 GGEDRM CC(C)[C@@](C)(C#N)NC(=O)CNc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC001590960762 991054328 /nfs/dbraw/zinc/05/43/28/991054328.db2.gz IWKMAZRIGMZQOV-HSZRJFAPSA-N -1 0 389.455 3.251 20 30 GGEDRM COc1ccccc1C(=O)C1=C(C(=O)[O-])NC(=S)N[C@@H]1c1ccc(C)c(C)c1 ZINC001599696391 991155309 /nfs/dbraw/zinc/15/53/09/991155309.db2.gz VSSZWCFSGJLCPA-QGZVFWFLSA-N -1 0 396.468 3.052 20 30 GGEDRM COc1ccccc1C[C@H](CNC(=O)C[C@@H](CC#N)c1ccccc1)C(=O)[O-] ZINC001599706205 991296473 /nfs/dbraw/zinc/29/64/73/991296473.db2.gz FVBMUELCRFWYKR-IEBWSBKVSA-N -1 0 380.444 3.142 20 30 GGEDRM COc1ccccc1C[C@@H](CNC(=O)C(C)(C)c1cc(F)cc(C#N)c1)C(=O)[O-] ZINC001599707248 991311938 /nfs/dbraw/zinc/31/19/38/991311938.db2.gz VVGSNEGCANEEOU-INIZCTEOSA-N -1 0 398.434 3.043 20 30 GGEDRM CC(C)[C@H](O)CCNC(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC001591040498 991378928 /nfs/dbraw/zinc/37/89/28/991378928.db2.gz HTJYPHVTHKJKMJ-HXUWFJFHSA-N -1 0 380.444 3.313 20 30 GGEDRM COc1ccccc1N(CCC#N)C(=O)[C@H](C)Sc1ncccc1C(=O)[O-] ZINC001599712376 991392937 /nfs/dbraw/zinc/39/29/37/991392937.db2.gz BZTUELVANPYWJO-ZDUSSCGKSA-N -1 0 385.445 3.216 20 30 GGEDRM CN(C)c1ccccc1CNN=Cc1ccc(C(=O)[O-])cc1Br ZINC001598342612 991415659 /nfs/dbraw/zinc/41/56/59/991415659.db2.gz UTSMQXFWRDYBGO-UHFFFAOYSA-N -1 0 376.254 3.337 20 30 GGEDRM CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc2cnn(CC(=O)[O-])c2c1 ZINC001591051457 991451299 /nfs/dbraw/zinc/45/12/99/991451299.db2.gz CTFJGGWITJIKDL-HXUWFJFHSA-N -1 0 392.415 3.035 20 30 GGEDRM CC(C)[C@@H](Oc1ccccc1C#N)C(=O)OCC(=O)c1ccc(C(=O)[O-])cc1 ZINC001591051627 991451615 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COc1sc(/C=C2\CCn3nc(C(=O)[O-])cc3C2=O)cc1Br ZINC001599742624 991882071 /nfs/dbraw/zinc/88/20/71/991882071.db2.gz BPAZAIFNLDYWTK-QPJJXVBHSA-N -1 0 383.223 3.084 20 30 GGEDRM CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)c1ccc(C(=O)[O-])nc1C#N ZINC001598483417 992184482 /nfs/dbraw/zinc/18/44/82/992184482.db2.gz VZVUECZBIUOAMH-UHFFFAOYSA-N -1 0 379.395 3.250 20 30 GGEDRM CC(C)CN(Cc1ccc(C#N)cc1)S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC001591342436 992318934 /nfs/dbraw/zinc/31/89/34/992318934.db2.gz AFTXCMYPSUFBIK-UHFFFAOYSA-N -1 0 378.475 3.165 20 30 GGEDRM CC(C)CN(Cc1ccc(C#N)cc1)S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001591342743 992321876 /nfs/dbraw/zinc/32/18/76/992321876.db2.gz IDQNJIITWCZGFJ-UHFFFAOYSA-N -1 0 386.473 3.244 20 30 GGEDRM CC(C)CN(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC001591343053 992323026 /nfs/dbraw/zinc/32/30/26/992323026.db2.gz OZYLYTRVKLLDAD-UHFFFAOYSA-N -1 0 378.475 3.165 20 30 GGEDRM CC(C)CN(c1ccc(C#N)cc1)S(=O)(=O)c1cc(C(=O)[O-])c(Cl)o1 ZINC001591349184 992333377 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3.059 20 30 GGEDRM CN(Cc1c(C#N)cccc1[N+](=O)[O-])[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC001598505522 992498285 /nfs/dbraw/zinc/49/82/85/992498285.db2.gz LBQOYJCNCJHJLK-MRXNPFEDSA-N -1 0 379.294 3.141 20 30 GGEDRM CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(OCC(=O)[O-])c2ncccc12 ZINC001598509241 992547884 /nfs/dbraw/zinc/54/78/84/992547884.db2.gz KMNBNTCAJCHERA-UHFFFAOYSA-N -1 0 390.399 3.234 20 30 GGEDRM CC(C)Cn1c(-c2cccc(CC#N)c2)nnc1N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001591504885 992648377 /nfs/dbraw/zinc/64/83/77/992648377.db2.gz BRPUHINIPYLYJC-MAUKXSAKSA-N -1 0 381.480 3.214 20 30 GGEDRM CC(C)Cn1c(-c2coc(C#N)c2)nnc1N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC001591506884 992655563 /nfs/dbraw/zinc/65/55/63/992655563.db2.gz CGFQPODTGVCPME-OAHLLOKOSA-N -1 0 385.468 3.393 20 30 GGEDRM CC(C)Cn1c(N2CCc3cccc(C(=O)[O-])c3C2)nnc1C(C)(C)CC#N ZINC001591516512 992683523 /nfs/dbraw/zinc/68/35/23/992683523.db2.gz SWTKICWOHXIXRC-UHFFFAOYSA-N -1 0 381.480 3.386 20 30 GGEDRM CC(C)Cn1c(N2CCC[C@H](C(C)(C)C(=O)[O-])C2)nnc1C(C)(C)CC#N ZINC001591516600 992684351 /nfs/dbraw/zinc/68/43/51/992684351.db2.gz WKNOLOGRUFNFDN-HNNXBMFYSA-N -1 0 375.517 3.453 20 30 GGEDRM CC(C)Cn1c(N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)nnc1C(C)(C)CC#N ZINC001591516601 992684498 /nfs/dbraw/zinc/68/44/98/992684498.db2.gz WKNOLOGRUFNFDN-OAHLLOKOSA-N -1 0 375.517 3.453 20 30 GGEDRM CC(C)Cn1c(N2CCc3c(cccc3C(=O)[O-])C2)nnc1C(C)(C)CC#N ZINC001591516891 992685070 /nfs/dbraw/zinc/68/50/70/992685070.db2.gz ZUJFMMWOFKKDMM-UHFFFAOYSA-N -1 0 381.480 3.386 20 30 GGEDRM CN(Cc1ccc(OCC(=O)[O-])cc1)c1c(C#N)cnc2c(F)ccc(F)c21 ZINC001598523867 992694641 /nfs/dbraw/zinc/69/46/41/992694641.db2.gz IVZRVKWBIJLEDG-UHFFFAOYSA-N -1 0 383.354 3.484 20 30 GGEDRM CN(Cc1cccc2ccccc21)S(=O)(=O)c1ccc(C#N)cc1C(=O)[O-] ZINC001598527899 992743325 /nfs/dbraw/zinc/74/33/25/992743325.db2.gz PARSEIKIVAWQCO-UHFFFAOYSA-N -1 0 380.425 3.230 20 30 GGEDRM CN1C(=O)N[C@@H](c2ccccc2)C(C(=O)[O-])=C1COc1cc(Cl)cc(C#N)c1 ZINC001598555167 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3.168 20 30 GGEDRM COc1cccc([C@](C)(CC(=O)[O-])NC(=O)Nc2cc(C#N)ccc2OC)c1 ZINC001599651763 994515044 /nfs/dbraw/zinc/51/50/44/994515044.db2.gz CWKBCEIFOBZSKM-FQEVSTJZSA-N -1 0 383.404 3.087 20 30 GGEDRM COc1cccc(CC(=O)Nc2cccc(C#Cc3cccc(C(=O)[O-])c3)c2)n1 ZINC001599664438 994706483 /nfs/dbraw/zinc/70/64/83/994706483.db2.gz HCQUYLXHYODUJF-UHFFFAOYSA-N -1 0 386.407 3.369 20 30 GGEDRM C[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F)c1cccc(C#N)c1 ZINC001593327066 994885599 /nfs/dbraw/zinc/88/55/99/994885599.db2.gz UTRHVXJNBHNBBQ-SECBINFHSA-N -1 0 382.800 3.088 20 30 GGEDRM C[C@H](NS(=O)(=O)c1cc2ccccc2cc1C(=O)[O-])c1cccc(C#N)c1 ZINC001593331421 994902716 /nfs/dbraw/zinc/90/27/16/994902716.db2.gz XMLJPZFMPZAURV-ZDUSSCGKSA-N -1 0 380.425 3.449 20 30 GGEDRM C[C@@H](NS(=O)(=O)c1ccc(C(=O)[O-])c2ccccc21)c1cccc(C#N)c1 ZINC001593333514 994903897 /nfs/dbraw/zinc/90/38/97/994903897.db2.gz ALUKQVNEBUSGKM-CYBMUJFWSA-N -1 0 380.425 3.449 20 30 GGEDRM C[C@H](NS(=O)(=O)c1cccc2c(C(=O)[O-])cccc21)c1ccc(C#N)cc1 ZINC001593338735 994929395 /nfs/dbraw/zinc/92/93/95/994929395.db2.gz BRLNAKALYVOJKT-ZDUSSCGKSA-N -1 0 380.425 3.449 20 30 GGEDRM C[C@](O)(C(=O)OCc1cccc(C(=O)[O-])c1C#N)c1ccccc1C(F)(F)F ZINC001593381239 995091635 /nfs/dbraw/zinc/09/16/35/995091635.db2.gz HUPWTNCGSYHKSH-GOSISDBHSA-N -1 0 393.317 3.226 20 30 GGEDRM COC(=O)[C@@H](NC[C@@H]1CCCc2ccc(C(=O)[O-])cc21)c1cccc(C#N)c1 ZINC001598707066 995300311 /nfs/dbraw/zinc/30/03/11/995300311.db2.gz JDGQVFNLLSCFGQ-ICSRJNTNSA-N -1 0 378.428 3.180 20 30 GGEDRM COC(=O)[C@@H](c1cccc(C(=O)[O-])c1)N1CCC(Nc2ccccc2C#N)CC1 ZINC001598712635 995365698 /nfs/dbraw/zinc/36/56/98/995365698.db2.gz LYGGGSANVFEYQY-HXUWFJFHSA-N -1 0 393.443 3.047 20 30 GGEDRM C[C@H](OC(=O)c1ccc(C(=O)[O-])cn1)C(=O)/C=C1/N(C)c2ccccc2C1(C)C ZINC001593574467 995679641 /nfs/dbraw/zinc/67/96/41/995679641.db2.gz JUGJQNFLGLOSKL-MDBUFAAASA-N -1 0 394.427 3.206 20 30 GGEDRM C[C@@H](OC(=O)c1cscc1C(=O)[O-])C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC001593600162 995751537 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3.008 20 30 GGEDRM COc1ccc([C@H](NC(=O)c2cc(C#N)ccc2Cl)C(=O)[O-])cc1Cl ZINC001599523406 997519242 /nfs/dbraw/zinc/51/92/42/997519242.db2.gz SWEIBTVHPQBZKI-HNNXBMFYSA-N -1 0 379.199 3.429 20 30 GGEDRM COc1ccc([C@@H](NC(=O)c2cc3ccccc3n2CC#N)C(=O)[O-])cc1Cl ZINC001599524162 997530403 /nfs/dbraw/zinc/53/04/03/997530403.db2.gz FSPHHSYKKWTCHD-GOSISDBHSA-N -1 0 397.818 3.383 20 30 GGEDRM COc1ccc([C@@H](NC(=O)c2cc(F)c(C#N)c(F)c2)C(=O)[O-])cc1Cl ZINC001599524743 997540146 /nfs/dbraw/zinc/54/01/46/997540146.db2.gz LNNJJMBVWHCXOY-OAHLLOKOSA-N -1 0 380.734 3.054 20 30 GGEDRM COc1ccc([C@H](NC(=O)c2ccc(C(C)(C)C#N)cc2)C(=O)[O-])c(OC)c1 ZINC001599525513 997551724 /nfs/dbraw/zinc/55/17/24/997551724.db2.gz RLSVRPIFFAYVGW-SFHVURJKSA-N -1 0 382.416 3.061 20 30 GGEDRM CON=Cc1ccc(C(=O)N[C@H](C[C@H]2CCCc3ccccc32)C(=O)[O-])cc1 ZINC001599320215 997567731 /nfs/dbraw/zinc/56/77/31/997567731.db2.gz DRQBBUYLQPWJSF-UYAOXDASSA-N -1 0 380.444 3.360 20 30 GGEDRM CON=Cc1ccc(C(=O)N[C@@H](C[C@@H]2CCCc3ccccc32)C(=O)[O-])cc1 ZINC001599320212 997567849 /nfs/dbraw/zinc/56/78/49/997567849.db2.gz DRQBBUYLQPWJSF-ICSRJNTNSA-N -1 0 380.444 3.360 20 30 GGEDRM CO[C@@H]1CCC[C@@H]([C@H](NC(=O)c2cn(CCCC#N)c3ccccc23)C(=O)[O-])C1 ZINC001599111260 997572333 /nfs/dbraw/zinc/57/23/33/997572333.db2.gz VCRDOOMISJNXIZ-QINHECLXSA-N -1 0 397.475 3.333 20 30 GGEDRM COc1ccc([C@H](NCc2ccc(Br)cc2C#N)C(=O)[O-])cc1 ZINC001599532831 997688306 /nfs/dbraw/zinc/68/83/06/997688306.db2.gz UHJDCSVQZGIJSN-INIZCTEOSA-N -1 0 375.222 3.245 20 30 GGEDRM COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)Oc1c(C)cc(C#N)cc1C ZINC001599330398 997738102 /nfs/dbraw/zinc/73/81/02/997738102.db2.gz WHFTUBWWXASPNS-UHFFFAOYSA-N -1 0 395.820 3.303 20 30 GGEDRM COc1c(C)cc([C@@H]2NC(=S)NC(C(=O)[O-])=C2C(=O)c2ccccc2)cc1C ZINC001599330826 997745530 /nfs/dbraw/zinc/74/55/30/997745530.db2.gz CUSFKQORMSMUSX-INIZCTEOSA-N -1 0 396.468 3.052 20 30 GGEDRM COC(=O)c1cc(COc2ccc(Br)cc2C#N)cc(C(=O)[O-])c1 ZINC001598935531 997857330 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GGEDRM COC(=O)c1cc(NC(=O)[C@@H](C)Sc2ccc(C)cc2C#N)cc(C(=O)[O-])c1 ZINC001598938856 997923911 /nfs/dbraw/zinc/92/39/11/997923911.db2.gz FYIBOWIPKQEZBB-GFCCVEGCSA-N -1 0 398.440 3.471 20 30 GGEDRM COc1cc(NC(=O)c2cccc(C#N)c2Br)ccc1C(=O)[O-] ZINC001599442040 997945556 /nfs/dbraw/zinc/94/55/56/997945556.db2.gz YEJRNCWOWQPDLE-UHFFFAOYSA-N -1 0 375.178 3.280 20 30 GGEDRM COc1cc(NC(=O)c2ccc(Br)cc2C#N)ccc1C(=O)[O-] ZINC001599442256 997948958 /nfs/dbraw/zinc/94/89/58/997948958.db2.gz OEDGAYMSJLGBSP-UHFFFAOYSA-N -1 0 375.178 3.280 20 30 GGEDRM COCCN(CCF)C(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC001599236725 997959578 /nfs/dbraw/zinc/95/95/78/997959578.db2.gz QHEBGULDNYTZFI-UHFFFAOYSA-N -1 0 384.407 3.234 20 30 GGEDRM COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1 ZINC001599237629 997973090 /nfs/dbraw/zinc/97/30/90/997973090.db2.gz BYGXZRKXROSYNM-UHFFFAOYSA-N -1 0 392.415 3.418 20 30 GGEDRM COCCN(Cc1ccc(C#N)cc1)C(=O)c1ccccc1S[C@@H](C)C(=O)[O-] ZINC001599238011 997981666 /nfs/dbraw/zinc/98/16/66/997981666.db2.gz GXRHRNUEJJWCGF-HNNXBMFYSA-N -1 0 398.484 3.412 20 30 GGEDRM CC1(c2nnc(-c3cccc(F)c3)o2)CN([C@@H](C(=O)[O-])c2cccc(C#N)c2)C1 ZINC001594084245 997990071 /nfs/dbraw/zinc/99/00/71/997990071.db2.gz AQSBZHDEORSJBS-QGZVFWFLSA-N -1 0 392.390 3.147 20 30 GGEDRM COC(=O)c1cc(NC(=O)[C@H](Oc2ccccc2C#N)C(C)C)cc(C(=O)[O-])c1 ZINC001598941944 997990241 /nfs/dbraw/zinc/99/02/41/997990241.db2.gz IIQSUXXQAQNSBP-GOSISDBHSA-N -1 0 396.399 3.085 20 30 GGEDRM CC1(c2nnc(-c3cccc(F)c3)o2)CN([C@H](C(=O)[O-])c2cccc(C#N)c2)C1 ZINC001594084244 997990172 /nfs/dbraw/zinc/99/01/72/997990172.db2.gz AQSBZHDEORSJBS-KRWDZBQOSA-N -1 0 392.390 3.147 20 30 GGEDRM COc1c(NCc2cccc(C(=O)[O-])c2C#N)cc(Cl)cc1C(=O)N(C)C ZINC001599345364 997995384 /nfs/dbraw/zinc/99/53/84/997995384.db2.gz XXMUBBQUUDIVBF-UHFFFAOYSA-N -1 0 387.823 3.232 20 30 GGEDRM C[C@@]12COC[C@@H]1CN(C(=O)Nc1cccc(C#Cc3cccc(C(=O)[O-])c3)c1)C2 ZINC001594088740 998025873 /nfs/dbraw/zinc/02/58/73/998025873.db2.gz SCGQXRXNOZHQCX-WMZHIEFXSA-N -1 0 390.439 3.285 20 30 GGEDRM CO[C@@H]1CN(C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)[C@@](C)(C(=O)[O-])C1 ZINC001599135422 998033706 /nfs/dbraw/zinc/03/37/06/998033706.db2.gz YKBNTSBEOUMPRM-YCRPNKLZSA-N -1 0 398.390 3.194 20 30 GGEDRM COc1cc(C#N)cc(Br)c1OC(=O)/C=C/c1cc(C(=O)[O-])co1 ZINC001599349104 998062565 /nfs/dbraw/zinc/06/25/65/998062565.db2.gz KANTWHQSNAOHBC-NSCUHMNNSA-N -1 0 392.161 3.239 20 30 GGEDRM CC1=C(C(=O)[O-])[C@@H](c2ccc(C(C)(C)C#N)cc2)NC(=O)N1C[C@@H]1CCCO1 ZINC001594095219 998063210 /nfs/dbraw/zinc/06/32/10/998063210.db2.gz FJAVVBALRYDYBK-FUHWJXTLSA-N -1 0 383.448 3.092 20 30 GGEDRM COc1cc(C#N)cc(Br)c1OC(=O)c1ccc(/C=C\C(=O)[O-])o1 ZINC001599349299 998065317 /nfs/dbraw/zinc/06/53/17/998065317.db2.gz NLNCIENXVYNVTN-HYXAFXHYSA-N -1 0 392.161 3.239 20 30 GGEDRM COc1cc(OC)c2ncc(C#N)c(NC[C@@H](Oc3ccccc3)C(=O)[O-])c2c1 ZINC001599449885 998074127 /nfs/dbraw/zinc/07/41/27/998074127.db2.gz WLRPVRNZXMNYBJ-GOSISDBHSA-N -1 0 393.399 3.068 20 30 GGEDRM COc1cc(C#N)ccc1OCCCC(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001599350300 998080827 /nfs/dbraw/zinc/08/08/27/998080827.db2.gz KLSFUSDRPBOENB-MSOLQXFVSA-N -1 0 394.427 3.155 20 30 GGEDRM COc1cc(C#N)ccc1OCCCC(=O)NC[C@H](C(=O)[O-])c1ccc(C)cc1 ZINC001599350262 998081601 /nfs/dbraw/zinc/08/16/01/998081601.db2.gz IEYYEVXTLHWSCC-SFHVURJKSA-N -1 0 396.443 3.019 20 30 GGEDRM COC(=O)c1cc(NCc2cc(C#N)ccc2Br)ccc1C(=O)[O-] ZINC001598948479 998100402 /nfs/dbraw/zinc/10/04/02/998100402.db2.gz QUEYXBUEJIHKEJ-UHFFFAOYSA-N -1 0 389.205 3.418 20 30 GGEDRM COc1ccc(CCNN=Cc2ccc(C(=O)[O-])cc2Br)cc1 ZINC001599557101 998112686 /nfs/dbraw/zinc/11/26/86/998112686.db2.gz RXGMGNLTIQRLJC-UHFFFAOYSA-N -1 0 377.238 3.322 20 30 GGEDRM COc1cc(C(=O)Nc2cc(C(=O)[O-])c(F)cc2Br)ccc1C#N ZINC001599355095 998165694 /nfs/dbraw/zinc/16/56/94/998165694.db2.gz UAUNRTYHISEDSO-UHFFFAOYSA-N -1 0 393.168 3.419 20 30 GGEDRM COc1cc(OS(=O)(=O)c2cc3ccccc3cc2C(=O)[O-])ccc1C#N ZINC001599456549 998198556 /nfs/dbraw/zinc/19/85/56/998198556.db2.gz SOYPVVUOFDJJKF-UHFFFAOYSA-N -1 0 383.381 3.186 20 30 GGEDRM COc1ccc(C[NH+]2CCC(C#N)(C(=O)[O-])CC2)cc1OCc1ccccc1 ZINC001599563392 998241802 /nfs/dbraw/zinc/24/18/02/998241802.db2.gz MKEXNKIIDJDRIH-UHFFFAOYSA-N -1 0 380.444 3.465 20 30 GGEDRM COc1cc(C(=O)[O-])cc(NC(=O)c2cc(C3CC3)nc(SC)c2C#N)c1O ZINC001599362335 998281007 /nfs/dbraw/zinc/28/10/07/998281007.db2.gz HZEJEEIQMPCXFA-UHFFFAOYSA-N -1 0 399.428 3.217 20 30 GGEDRM COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])N(Cc1ccc(C#N)cc1F)CC2 ZINC001599463526 998316699 /nfs/dbraw/zinc/31/66/99/998316699.db2.gz HLJOXOTTYAMEAG-GOSISDBHSA-N -1 0 384.407 3.289 20 30 GGEDRM COc1cc2c(cc1OC)[C@H](CC(=O)[O-])N(Cc1ccc(C#N)cc1F)CC2 ZINC001599463527 998316988 /nfs/dbraw/zinc/31/69/88/998316988.db2.gz HLJOXOTTYAMEAG-SFHVURJKSA-N -1 0 384.407 3.289 20 30 GGEDRM COCCOc1cc2c(cc1C=NNc1ccc(C(=O)[O-])c(Cl)c1)OCO2 ZINC001599257244 998324332 /nfs/dbraw/zinc/32/43/32/998324332.db2.gz ARGTWNBSYRPBIQ-UHFFFAOYSA-N -1 0 392.795 3.238 20 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ZINC001599572384 998386958 /nfs/dbraw/zinc/38/69/58/998386958.db2.gz IKEPBDDEFNFUHK-GFCCVEGCSA-N -1 0 386.477 3.324 20 30 GGEDRM COc1ccc(Cc2nnc(S[C@H](C(=O)[O-])c3ccc(C#N)cc3)o2)cc1 ZINC001599576654 998455294 /nfs/dbraw/zinc/45/52/94/998455294.db2.gz RBBWSPBMCDBSAN-KRWDZBQOSA-N -1 0 381.413 3.459 20 30 GGEDRM C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC001594145073 998472199 /nfs/dbraw/zinc/47/21/99/998472199.db2.gz MDOFYWAMSKVBFJ-CZUORRHYSA-N -1 0 389.883 3.140 20 30 GGEDRM COc1ccc(Br)c([C@@H](C(=O)[O-])N(C)Cc2ccc(C#N)o2)c1 ZINC001599475260 998520074 /nfs/dbraw/zinc/52/00/74/998520074.db2.gz LHBVAZHQCXBTSI-HNNXBMFYSA-N -1 0 379.210 3.180 20 30 GGEDRM COc1ccc(C#N)cc1NC(=O)N1CCN(c2ccc(C(=O)[O-])cc2)C[C@H]1C ZINC001599476465 998540030 /nfs/dbraw/zinc/54/00/30/998540030.db2.gz CNDHFXRCWFMDGN-CQSZACIVSA-N -1 0 394.431 3.008 20 30 GGEDRM COCOc1ccc(CCC(=O)[O-])cc1NC(=O)C1(c2cccc(C#N)c2)CC1 ZINC001599274932 998597442 /nfs/dbraw/zinc/59/74/42/998597442.db2.gz SITYGZULYXCAEC-UHFFFAOYSA-N -1 0 394.427 3.228 20 30 GGEDRM COC(=O)c1ccc(NC(=O)NCc2ccc(C#N)c(Cl)c2)cc1C(=O)[O-] ZINC001598980556 998653237 /nfs/dbraw/zinc/65/32/37/998653237.db2.gz IVVYBLFYPJFYLL-UHFFFAOYSA-N -1 0 387.779 3.018 20 30 GGEDRM COC(=O)c1cccc(/C=C2/CCC/C(=C/c3cccc(C(=O)[O-])n3)C2=O)n1 ZINC001598992644 998751229 /nfs/dbraw/zinc/75/12/29/998751229.db2.gz BQMSLGSALIAVPA-XSYHWHKQSA-N -1 0 378.384 3.181 20 30 GGEDRM COC(=O)c1cccc(/C=C\C(=O)c2cnc3sc(C(=O)[O-])c(C)c3c2)n1 ZINC001598993799 998760877 /nfs/dbraw/zinc/76/08/77/998760877.db2.gz ZXTOXMRUMUWIEG-SREVYHEPSA-N -1 0 382.397 3.381 20 30 GGEDRM COC(=O)c1cccc(CN(CCC(=O)[O-])Cc2ccc(F)c(F)c2)c1C#N ZINC001598995231 998773064 /nfs/dbraw/zinc/77/30/64/998773064.db2.gz HTKYIRPQDNALJC-UHFFFAOYSA-N -1 0 388.370 3.100 20 30 GGEDRM COC(=O)c1cccc(CN(C)[C@@H](C(=O)[O-])c2cc(F)c(F)c(F)c2)c1C#N ZINC001598995776 998778724 /nfs/dbraw/zinc/77/87/24/998778724.db2.gz MDMVGVHCXHEFLI-QGZVFWFLSA-N -1 0 392.333 3.020 20 30 GGEDRM COC(=O)c1cccc(CN2CCCC[C@@H]2c2ccc(C(=O)[O-])n2C)c1C#N ZINC001598996025 998780129 /nfs/dbraw/zinc/78/01/29/998780129.db2.gz NVMVFATVTGSLAN-GOSISDBHSA-N -1 0 381.432 3.109 20 30 GGEDRM COC(=O)c1cccc([C@@H](C(=O)[O-])N2CC=C(c3ccc(C#N)cc3)CC2)c1 ZINC001598998124 998799241 /nfs/dbraw/zinc/79/92/41/998799241.db2.gz XIZBINWGKODZIP-FQEVSTJZSA-N -1 0 376.412 3.260 20 30 GGEDRM COC(=O)c1sc(NC(=O)N(C)Cc2cccc(C#N)c2)c(C(=O)[O-])c1C ZINC001599023017 998995784 /nfs/dbraw/zinc/99/57/84/998995784.db2.gz OLGBIBSPMIFJOE-UHFFFAOYSA-N -1 0 387.417 3.077 20 30 GGEDRM C[C@@H]1C[C@H]1[C@H](NC(=O)N1CCC(C#N)(C(=O)[O-])CC1)c1ccc(Cl)cc1 ZINC001594275635 999066723 /nfs/dbraw/zinc/06/67/23/999066723.db2.gz VFTNDMIWFBYERT-DAXOMENPSA-N -1 0 375.856 3.437 20 30 GGEDRM C[C@H]1CCC(=O)CN1C(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC001594293027 999130207 /nfs/dbraw/zinc/13/02/07/999130207.db2.gz VGVJYEIZSKHRKT-HNNXBMFYSA-N -1 0 376.412 3.370 20 30 GGEDRM C[C@H]1CC[C@@H](CNC(=O)Nc2cccc(C#Cc3cccc(C(=O)[O-])c3)c2)O1 ZINC001594309631 999195553 /nfs/dbraw/zinc/19/55/53/999195553.db2.gz ZLUACIMMBVPNBA-YWZLYKJASA-N -1 0 378.428 3.474 20 30 GGEDRM C[C@@H]1CCN(C(=O)Nc2cccc(C#Cc3cccc(C(=O)[O-])c3)c2)[C@H]1CO ZINC001594406410 999521636 /nfs/dbraw/zinc/52/16/36/999521636.db2.gz XGMHWFXECJVYSP-QRWLVFNGSA-N -1 0 378.428 3.019 20 30 GGEDRM C[C@H]1CCN(C(=O)c2ccc(OCc3ccccc3C#N)cc2)[C@@H](C(=O)[O-])C1 ZINC001594410462 999531718 /nfs/dbraw/zinc/53/17/18/999531718.db2.gz QWYQLOJUWMKXKN-MGPUTAFESA-N -1 0 378.428 3.463 20 30 GGEDRM C[C@H]1CCN(C(=O)c2cccc(OCc3ccccc3C#N)c2)[C@@H](C(=O)[O-])C1 ZINC001594411301 999535050 /nfs/dbraw/zinc/53/50/50/999535050.db2.gz KWZSMJVZSDQXOP-MGPUTAFESA-N -1 0 378.428 3.463 20 30 GGEDRM N#Cc1cccc(-c2nnc(CN[C@H](Cc3cc4ccccc4o3)C(=O)[O-])o2)c1 ZINC001608215124 1126236103 /nfs/dbraw/zinc/23/61/03/1126236103.db2.gz XYPPZGLIBIPBNK-QGZVFWFLSA-N -1 0 388.383 3.140 20 30 GGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)Cc2ccc(Br)cc2)n1 ZINC000007783820 230857899 /nfs/dbraw/zinc/85/78/99/230857899.db2.gz 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CCOC(=O)C1=C(Nc2ccccc2)OC(=Cc2ccc(C(=O)[O-])cc2)C1=O ZINC000059399822 520536938 /nfs/dbraw/zinc/53/69/38/520536938.db2.gz PLMMRKYBZIJALJ-FOWTUZBSSA-N -1 0 379.368 3.212 20 30 GGEDRM COCc1ccccc1C(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000070017664 523088583 /nfs/dbraw/zinc/08/85/83/523088583.db2.gz LCLKXADVXMTEIZ-UHFFFAOYSA-N -1 0 398.362 3.417 20 30 GGEDRM N#CCSc1ccccc1C(=O)[N-]S(=O)(=O)Cc1ccc(Cl)nc1 ZINC000058152316 526477405 /nfs/dbraw/zinc/47/74/05/526477405.db2.gz KJYWAOYEDHBKPS-UHFFFAOYSA-N -1 0 381.866 3.185 20 30 GGEDRM O=C(CCc1cc(F)ccc1F)[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000065763707 527159374 /nfs/dbraw/zinc/15/93/74/527159374.db2.gz HASJXBOGEXMYOB-UHFFFAOYSA-N -1 0 383.372 3.014 20 30 GGEDRM O=C([N-]S(=O)(=O)c1cc(Cl)sc1Cl)c1ccc2c(c1)OCO2 ZINC000095352925 527160902 /nfs/dbraw/zinc/16/09/02/527160902.db2.gz DSBPDTUUVFKJQX-UHFFFAOYSA-N -1 0 380.230 3.477 20 30 GGEDRM CC(C)(C)[S@@](=O)Cc1cccc([N-]S(=O)(=O)c2ccccc2C#N)c1 ZINC000116159965 564204763 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N#Cc1c[nH]nc1[N-]S(=O)(=O)c1cc(Br)c(Cl)cc1Cl ZINC000559195398 566533415 /nfs/dbraw/zinc/53/34/15/566533415.db2.gz VJBSEIYMWPMQET-UHFFFAOYSA-N -1 0 396.053 3.151 20 30 GGEDRM COc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(C)c(N(C)C)cc2C#N)c1 ZINC000578585691 566535133 /nfs/dbraw/zinc/53/51/33/566535133.db2.gz VVIYHRHJDBMJOI-UHFFFAOYSA-N -1 0 379.869 3.396 20 30 GGEDRM Cc1cccc(S(=O)(=O)[N-]c2n[nH]c(C3CC3)c2C#N)c1Br ZINC000485985974 566545372 /nfs/dbraw/zinc/54/53/72/566545372.db2.gz BHYPKCSWNJMMNZ-UHFFFAOYSA-N -1 0 381.255 3.031 20 30 GGEDRM Cc1cc(Br)ccc1S(=O)(=O)[N-]c1n[nH]c(C2CC2)c1C#N ZINC000485994804 566547205 /nfs/dbraw/zinc/54/72/05/566547205.db2.gz VAMPFSSZIVPOKM-UHFFFAOYSA-N -1 0 381.255 3.031 20 30 GGEDRM Cc1cc(S(=O)(=O)[N-]c2n[nH]c(C3CC3)c2C#N)ccc1Br ZINC000485993248 566547579 /nfs/dbraw/zinc/54/75/79/566547579.db2.gz WVBTZAKTQMXVGA-UHFFFAOYSA-N -1 0 381.255 3.031 20 30 GGEDRM C=CCN=c1[n-]nc(SCc2nc3ccc(Br)cc3n2C)s1 ZINC000486011386 566548893 /nfs/dbraw/zinc/54/88/93/566548893.db2.gz 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N#Cc1cc(F)c(S(=O)(=O)[N-]Cc2ccccc2C(F)(F)F)c(F)c1 ZINC000467137274 566628719 /nfs/dbraw/zinc/62/87/19/566628719.db2.gz KWBCGXJTOMFYBK-UHFFFAOYSA-N -1 0 376.306 3.334 20 30 GGEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cc(Br)oc2C)n1 ZINC000425296448 566629695 /nfs/dbraw/zinc/62/96/95/566629695.db2.gz GXCRPBDQWLGYOF-VIFPVBQESA-N -1 0 383.223 3.474 20 30 GGEDRM CO[C@H](C[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)c1cccc(Cl)c1 ZINC000467157314 566629956 /nfs/dbraw/zinc/62/99/56/566629956.db2.gz GCGLDMSNKJPDOY-OAHLLOKOSA-N -1 0 386.807 3.156 20 30 GGEDRM N#Cc1cc(F)c(S(=O)(=O)[N-][C@H]2C[C@@H]2c2c(F)cccc2Cl)c(F)c1 ZINC000467154271 566630165 /nfs/dbraw/zinc/63/01/65/566630165.db2.gz FSUVFEPMGWXSLW-XPTSAGLGSA-N -1 0 386.782 3.463 20 30 GGEDRM N#Cc1cc(F)c(S(=O)(=O)[N-]C[C@H]2CCC[C@H](C(F)(F)F)C2)c(F)c1 ZINC000467146587 566630285 /nfs/dbraw/zinc/63/02/85/566630285.db2.gz JMYZGSVVTPYLHA-ONGXEEELSA-N -1 0 382.354 3.483 20 30 GGEDRM C=CCC(CC=C)C(=O)NC[C@@H](Oc1ccc(Br)cc1)C(=O)[O-] ZINC000579715108 566634240 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C=CCn1c(=N)[n-]nc1SC[C@@H](COC)c1ccc(Br)cc1 ZINC000450796158 566707481 /nfs/dbraw/zinc/70/74/81/566707481.db2.gz VOWFGAMARIUOEV-GFCCVEGCSA-N -1 0 383.315 3.161 20 30 GGEDRM C=CCn1c(=O)[nH]nc1SC[C@@H](COC)c1ccc(Br)cc1 ZINC000450870426 566713676 /nfs/dbraw/zinc/71/36/76/566713676.db2.gz LSYFVDPRHDPSGJ-GFCCVEGCSA-N -1 0 384.299 3.455 20 30 GGEDRM C=C(C)C[C@@H](NC(=O)[C@H](CCOC)Cc1cccc(Br)c1)C(=O)[O-] ZINC000630324447 566721771 /nfs/dbraw/zinc/72/17/71/566721771.db2.gz DQMRGZLLJYALMP-GDBMZVCRSA-N -1 0 398.297 3.180 20 30 GGEDRM C=C(C)C[C@H](NC(=O)CCNc1ncc(C(F)(F)F)cc1Cl)C(=O)[O-] ZINC000630320371 566721886 /nfs/dbraw/zinc/72/18/86/566721886.db2.gz UTDZZVYHGXNUHM-NSHDSACASA-N -1 0 379.766 3.091 20 30 GGEDRM C=C(C)C[C@H](NC(=O)[C@H](CCOC)Cc1cccc(Br)c1)C(=O)[O-] ZINC000630324451 566722690 /nfs/dbraw/zinc/72/26/90/566722690.db2.gz DQMRGZLLJYALMP-ZBFHGGJFSA-N -1 0 398.297 3.180 20 30 GGEDRM C[C@@H](Sc1ccc(Br)cc1)C(=O)N=c1[nH][n-]c(C2CC2)c1C#N ZINC000561623727 566724470 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N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cc(Cl)cc(Cl)c1O ZINC000541795675 566749698 /nfs/dbraw/zinc/74/96/98/566749698.db2.gz VZZHTSCEZCNMRF-UHFFFAOYSA-N -1 0 388.188 3.280 20 30 GGEDRM Cc1nc([N-]S(=O)(=O)c2ccc(C#N)o2)sc1Cc1cccc(F)c1 ZINC000581154589 566753567 /nfs/dbraw/zinc/75/35/67/566753567.db2.gz IRXGEFKCWWQFPF-UHFFFAOYSA-N -1 0 377.422 3.447 20 30 GGEDRM C=CCC[C@H](NC(=O)NCCc1ccc(-c2csc(C)n2)s1)C(=O)[O-] ZINC000654794214 566754770 /nfs/dbraw/zinc/75/47/70/566754770.db2.gz WSVHUUYXNHRYCD-ZDUSSCGKSA-N -1 0 379.507 3.441 20 30 GGEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc(Cl)cnc1OC(C)C ZINC000451095371 566755467 /nfs/dbraw/zinc/75/54/67/566755467.db2.gz KTKIDCCLCQUWLV-UHFFFAOYSA-N -1 0 381.841 3.203 20 30 GGEDRM C[C@@H](C#N)CSc1ccccc1NS(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000609379008 566762601 /nfs/dbraw/zinc/76/26/01/566762601.db2.gz MZENVFUWGBJZKR-LBPRGKRZSA-N -1 0 376.459 3.437 20 30 GGEDRM CCN(CC)c1n[nH]c([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)c1C#N ZINC000581273598 566763657 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GGEDRM C=CCC[C@H](NS(=O)(=O)c1cc(Cl)ccc1OCC1CCC1)C(=O)[O-] ZINC000562301382 566780424 /nfs/dbraw/zinc/78/04/24/566780424.db2.gz AXRGATNRZYMRIS-AWEZNQCLSA-N -1 0 387.885 3.217 20 30 GGEDRM N#CCCn1ccc([N-]S(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)n1 ZINC000609793853 566785415 /nfs/dbraw/zinc/78/54/15/566785415.db2.gz YFCQUUNVFCMFML-UHFFFAOYSA-N -1 0 393.881 3.374 20 30 GGEDRM Cc1cc(S(=O)(=O)N[C@@H](C(=O)[O-])c2c(Cl)cccc2Cl)ccc1C#N ZINC000562466141 566792829 /nfs/dbraw/zinc/79/28/29/566792829.db2.gz WSUWUQWTENCBPQ-OAHLLOKOSA-N -1 0 399.255 3.278 20 30 GGEDRM C=CCCCS(=O)(=O)[N-]c1nc(-c2ccc3c(c2)CCC(=O)N3)cs1 ZINC000427756419 566794090 /nfs/dbraw/zinc/79/40/90/566794090.db2.gz WMYSHQIKUIDOCO-UHFFFAOYSA-N -1 0 377.491 3.403 20 30 GGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2nnc(CC3CCCCC3)s2)cc1F ZINC000427759263 566794190 /nfs/dbraw/zinc/79/41/90/566794190.db2.gz KVQIKLUGIUQBPL-UHFFFAOYSA-N -1 0 380.470 3.472 20 30 GGEDRM O=S(=O)([N-]C1(C(F)(F)F)CCC1)c1cccc(OC(F)(F)F)c1F ZINC000427786727 566797310 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CC[C@@H](CC#N)NC(=O)c1cnc2c(Cl)cc(Br)cc2c1O ZINC000469895304 566824994 /nfs/dbraw/zinc/82/49/94/566824994.db2.gz BEEGYLYGJRUBQF-VIFPVBQESA-N -1 0 382.645 3.366 20 30 GGEDRM N#C[C@@H]1N(C(=O)c2cc(Br)c(F)cc2[O-])CCC[C@]12CCCCO2 ZINC000451525476 566831421 /nfs/dbraw/zinc/83/14/21/566831421.db2.gz MOJDVWJICJWKOT-DOTOQJQBSA-N -1 0 397.244 3.361 20 30 GGEDRM N#CCc1ccc(S(=O)(=O)N[C@H]2CCCC[C@@H]2CCC(=O)[O-])c(Cl)c1 ZINC000562966430 566839285 /nfs/dbraw/zinc/83/92/85/566839285.db2.gz IPBNLUWLCMDSTI-HIFRSBDPSA-N -1 0 384.885 3.108 20 30 GGEDRM C=CCOC[C@H](NC(=O)Nc1cc(Cl)c(OCC)c(Cl)c1)C(=O)[O-] ZINC000562974574 566840918 /nfs/dbraw/zinc/84/09/18/566840918.db2.gz MHAJPIVSBAKLQH-LBPRGKRZSA-N -1 0 377.224 3.169 20 30 GGEDRM C=CCCCS(=O)(=O)[N-]c1c(C)c(Br)ccc1C(=O)OC ZINC000582277638 566847626 /nfs/dbraw/zinc/84/76/26/566847626.db2.gz SSKPPOVZRLJVJD-UHFFFAOYSA-N -1 0 376.272 3.252 20 30 GGEDRM CC(C)(C)c1sc(C(=O)[O-])cc1S(=O)(=O)NCc1ccc(C#N)s1 ZINC000582305117 566849201 /nfs/dbraw/zinc/84/92/01/566849201.db2.gz NSRGOUYVGUICNI-UHFFFAOYSA-N -1 0 384.504 3.155 20 30 GGEDRM N#Cc1cnc([N-]S(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)s1 ZINC000610725297 566855954 /nfs/dbraw/zinc/85/59/54/566855954.db2.gz STLWRJSGCTXUOL-UHFFFAOYSA-N -1 0 382.879 3.014 20 30 GGEDRM N#CCc1ccc(S(=O)(=O)[N-]c2cnccc2N2CCCC2)c(Cl)c1 ZINC000563134893 566858677 /nfs/dbraw/zinc/85/86/77/566858677.db2.gz IOIRLMKAXZHDJW-UHFFFAOYSA-N -1 0 376.869 3.202 20 30 GGEDRM CC(=O)Nc1ccc(Br)cc1NS(=O)(=O)CCC(C)(C)C#N ZINC000563223347 566864818 /nfs/dbraw/zinc/86/48/18/566864818.db2.gz YZKKESCITQWRCY-UHFFFAOYSA-N -1 0 388.287 3.089 20 30 GGEDRM CC(C)CN(Cc1ccccc1Br)C(=O)N=c1[n-]n(C)cc1C#N ZINC000610821427 566866850 /nfs/dbraw/zinc/86/68/50/566866850.db2.gz ZGJOOFUXAXKMGI-UHFFFAOYSA-N -1 0 390.285 3.166 20 30 GGEDRM N#CCCCNC(=O)c1cc(Cl)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000543310733 566870852 /nfs/dbraw/zinc/87/08/52/566870852.db2.gz SVTALJRZZFUVMT-UHFFFAOYSA-N -1 0 377.853 3.174 20 30 GGEDRM Cc1cc(S(=O)(=O)[N-]c2nc(-c3cccc(Cl)c3)ns2)ccc1C#N ZINC000563340559 566876317 /nfs/dbraw/zinc/87/63/17/566876317.db2.gz TWQZTXZMKWSOMX-UHFFFAOYSA-N -1 0 390.877 3.261 20 30 GGEDRM CCN=c1[n-]nc(SCC(=O)Nc2ccccc2SC[C@H](C)C#N)s1 ZINC000518652270 566896362 /nfs/dbraw/zinc/89/63/62/566896362.db2.gz IGYZTBKXNXYKEH-LLVKDONJSA-N -1 0 393.563 3.374 20 30 GGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2nnc(/C=C\c3ccco3)s2)c(F)c1 ZINC000611198331 566898110 /nfs/dbraw/zinc/89/81/10/566898110.db2.gz KRQUJUJKCUBAAB-XQRVVYSFSA-N -1 0 376.394 3.113 20 30 GGEDRM C=CCN(Cc1cccs1)S(=O)(=O)c1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000582857384 566901024 /nfs/dbraw/zinc/90/10/24/566901024.db2.gz NHKTZJKZIGMFQH-UHFFFAOYSA-N -1 0 379.503 3.487 20 30 GGEDRM COCc1ccccc1[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000583037314 566916470 /nfs/dbraw/zinc/91/64/70/566916470.db2.gz AAXMZFNNGSIDGE-UHFFFAOYSA-N -1 0 381.251 3.268 20 30 GGEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cnc(OCC)c(Cl)c2)n1 ZINC000491918333 566919419 /nfs/dbraw/zinc/91/94/19/566919419.db2.gz AHCDXRXUYAQKFO-SNVBAGLBSA-N -1 0 379.825 3.257 20 30 GGEDRM CCCNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000611537937 566925082 /nfs/dbraw/zinc/92/50/82/566925082.db2.gz JLOJQERGOLDINJ-UHFFFAOYSA-N -1 0 377.853 3.152 20 30 GGEDRM N#C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])c1ccccc1Br ZINC000611534956 566925541 /nfs/dbraw/zinc/92/55/41/566925541.db2.gz CSURKNGFFILCER-ZDUSSCGKSA-N -1 0 376.166 3.058 20 30 GGEDRM N#C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])c1ccccc1Br ZINC000611534955 566925737 /nfs/dbraw/zinc/92/57/37/566925737.db2.gz CSURKNGFFILCER-CYBMUJFWSA-N -1 0 376.166 3.058 20 30 GGEDRM CC#CCN(C)C(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000519217788 566927230 /nfs/dbraw/zinc/92/72/30/566927230.db2.gz FERWKZCNPHWAQM-UHFFFAOYSA-N -1 0 376.865 3.236 20 30 GGEDRM C=CCN=c1[n-]nc(SC[C@@H](O)COc2ccccc2C(F)(F)F)s1 ZINC000544048410 566933290 /nfs/dbraw/zinc/93/32/90/566933290.db2.gz SSBMQGKTKVUJIP-JTQLQIEISA-N -1 0 391.440 3.109 20 30 GGEDRM C=CC[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)[O-])c(C(F)(F)F)c2)C1 ZINC000656715750 566937778 /nfs/dbraw/zinc/93/77/78/566937778.db2.gz ALIZAFAPYYYZBV-LLVKDONJSA-N -1 0 377.384 3.380 20 30 GGEDRM CC#CCN(C)C(=O)c1ccc(Cl)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000564063499 566942242 /nfs/dbraw/zinc/94/22/42/566942242.db2.gz DBTCCYPEXJZSLQ-UHFFFAOYSA-N -1 0 376.865 3.236 20 30 GGEDRM CSc1cccc([N-]S(=O)(=O)c2cc(Br)cc(C#N)c2)n1 ZINC000564142739 566949924 /nfs/dbraw/zinc/94/99/24/566949924.db2.gz CMNZKMGHOXXPPL-UHFFFAOYSA-N -1 0 384.280 3.238 20 30 GGEDRM COC(=O)c1cc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c(C)cc1C ZINC000471577590 566962378 /nfs/dbraw/zinc/96/23/78/566962378.db2.gz LITSQRGDLJJAPT-UHFFFAOYSA-N -1 0 378.837 3.416 20 30 GGEDRM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3cc(Br)ccc3C#N)ccc2O1 ZINC000471909767 566984954 /nfs/dbraw/zinc/98/49/54/566984954.db2.gz WPZLGLWAQQMPKG-JTQLQIEISA-N -1 0 393.262 3.445 20 30 GGEDRM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3cc(Br)ccc3C#N)ccc2O1 ZINC000471909771 566985509 /nfs/dbraw/zinc/98/55/09/566985509.db2.gz WPZLGLWAQQMPKG-SNVBAGLBSA-N -1 0 393.262 3.445 20 30 GGEDRM C=CC[C@@H](NS(=O)(=O)c1ccc(Oc2ccccc2Cl)cc1)C(=O)[O-] ZINC000681558222 566985639 /nfs/dbraw/zinc/98/56/39/566985639.db2.gz OQEODYNXIFGKKB-OAHLLOKOSA-N -1 0 381.837 3.440 20 30 GGEDRM CC(C)CCn1nccc1[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000564575815 566989232 /nfs/dbraw/zinc/98/92/32/566989232.db2.gz KPFDSYILVYXNIK-UHFFFAOYSA-N -1 0 397.298 3.364 20 30 GGEDRM C=CCC[C@@H](NS(=O)(=O)c1ccc2cc(Br)ccc2c1)C(=O)[O-] ZINC000681577793 566989880 /nfs/dbraw/zinc/98/98/80/566989880.db2.gz HHXCPFSNXBOUQJ-OAHLLOKOSA-N -1 0 398.278 3.300 20 30 GGEDRM CCNC(=O)c1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000520222247 566990301 /nfs/dbraw/zinc/99/03/01/566990301.db2.gz CZYSZQFDTQNWDC-UHFFFAOYSA-N -1 0 398.271 3.416 20 30 GGEDRM CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2C#N)s1 ZINC000612735270 566992827 /nfs/dbraw/zinc/99/28/27/566992827.db2.gz AOQUTVAZTNYYBA-VIFPVBQESA-N -1 0 383.882 3.271 20 30 GGEDRM COc1ccc(/C=C\c2nc(C(=O)[O-])ccc2C#N)c(Br)c1O ZINC000544880975 567004441 /nfs/dbraw/zinc/00/44/41/567004441.db2.gz ZAHLGALROGUTCP-DJWKRKHSSA-N -1 0 375.178 3.299 20 30 GGEDRM C=CCC[C@H](NS(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1)C(=O)[O-] ZINC000564851754 567014518 /nfs/dbraw/zinc/01/45/18/567014518.db2.gz UXNPXOOJXKNGJI-LBPRGKRZSA-N -1 0 386.882 3.161 20 30 GGEDRM CN(C)S(=O)(=O)c1ccsc1C([O-])=C(C#N)c1ncc(C(C)(C)C)s1 ZINC000430606165 567025698 /nfs/dbraw/zinc/02/56/98/567025698.db2.gz USIWBKVAYSPWIE-JTQLQIEISA-N -1 0 397.547 3.242 20 30 GGEDRM Cc1c(C([O-])=C(C#N)c2ccncn2)cnn1-c1ccc(Br)cc1 ZINC000545445471 567050645 /nfs/dbraw/zinc/05/06/45/567050645.db2.gz FNQHUAZLSOMPPI-CQSZACIVSA-N -1 0 382.221 3.223 20 30 GGEDRM Cc1nn(-c2ccc(Br)cc2)cc1C([O-])=C(C#N)c1ccncn1 ZINC000545446413 567053006 /nfs/dbraw/zinc/05/30/06/567053006.db2.gz IOJGPJDKYSOZBJ-CQSZACIVSA-N -1 0 382.221 3.223 20 30 GGEDRM N#Cc1ccc(S(=O)(=O)N(CCCC(=O)[O-])Cc2ccc(Cl)cc2)s1 ZINC000521389823 567057261 /nfs/dbraw/zinc/05/72/61/567057261.db2.gz GQZCMEIXLPAWKS-UHFFFAOYSA-N -1 0 398.893 3.329 20 30 GGEDRM C=CCN(c1ccccc1)S(=O)(=O)c1cc(OC)c(C(=O)[O-])cc1Cl ZINC000545559007 567063765 /nfs/dbraw/zinc/06/37/65/567063765.db2.gz QSXVUMNIZOSQKM-UHFFFAOYSA-N -1 0 381.837 3.428 20 30 GGEDRM Cc1c(C#N)cccc1[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431197562 567065913 /nfs/dbraw/zinc/06/59/13/567065913.db2.gz PXUPPKFWTWOMGK-UHFFFAOYSA-N -1 0 396.222 3.338 20 30 GGEDRM N#C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])c1ccccc1Br ZINC000613954526 567073831 /nfs/dbraw/zinc/07/38/31/567073831.db2.gz QZOPDZMXKDXLHI-ZDUSSCGKSA-N -1 0 376.166 3.058 20 30 GGEDRM N#Cc1cnc([N-]S(=O)(=O)c2ccc3cc(Br)ccc3c2)s1 ZINC000614079711 567082383 /nfs/dbraw/zinc/08/23/83/567082383.db2.gz JIFUZCDJVVHANS-UHFFFAOYSA-N -1 0 394.275 3.153 20 30 GGEDRM Cc1cc([N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)nn1CCC#N ZINC000473467790 567083326 /nfs/dbraw/zinc/08/33/26/567083326.db2.gz ATIBIGOZBWLWIK-UHFFFAOYSA-N -1 0 377.228 3.352 20 30 GGEDRM CCOC(=O)c1c(F)cccc1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000614096085 567084248 /nfs/dbraw/zinc/08/42/48/567084248.db2.gz MZJRVGBIYHXVJL-UHFFFAOYSA-N -1 0 382.800 3.328 20 30 GGEDRM C[C@@H](Sc1ccc(NS(=O)(=O)c2cccc(CC#N)c2)cc1)C(=O)[O-] ZINC000585819442 567090423 /nfs/dbraw/zinc/09/04/23/567090423.db2.gz XPRHFYMHNUASJZ-GFCCVEGCSA-N -1 0 376.459 3.119 20 30 GGEDRM Cc1[n-][nH]c(=NC(=O)c2csc(-c3cc(Br)cs3)n2)c1C#N ZINC000431690411 567101341 /nfs/dbraw/zinc/10/13/41/567101341.db2.gz JMMDJWDNFMYONP-UHFFFAOYSA-N -1 0 394.279 3.212 20 30 GGEDRM Cc1cccc([C@@H](CC(=O)[O-])NS(=O)(=O)c2cccc(Cl)c2C#N)c1 ZINC000614320511 567102024 /nfs/dbraw/zinc/10/20/24/567102024.db2.gz ILISCEWBKYQNKP-OAHLLOKOSA-N -1 0 378.837 3.014 20 30 GGEDRM Cc1cccc([C@@H](CC(=O)[O-])NS(=O)(=O)c2ccc(Cl)cc2C#N)c1 ZINC000614320924 567104082 /nfs/dbraw/zinc/10/40/82/567104082.db2.gz NNJBMRMOVYIUHU-OAHLLOKOSA-N -1 0 378.837 3.014 20 30 GGEDRM C=CCOc1ccccc1CNS(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000546254065 567117321 /nfs/dbraw/zinc/11/73/21/567117321.db2.gz QNEGQROALHPESK-UHFFFAOYSA-N -1 0 381.837 3.082 20 30 GGEDRM COc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc2c(c(Cl)c1)O[C@@H](C)C2 ZINC000522881098 567134844 /nfs/dbraw/zinc/13/48/44/567134844.db2.gz JIJSTGOPBASZMY-JTQLQIEISA-N -1 0 378.837 3.344 20 30 GGEDRM C=CCN=c1[n-]nc(SC[C@@H](O)COc2ccc(Cl)c(Cl)c2)s1 ZINC000588722579 567136175 /nfs/dbraw/zinc/13/61/75/567136175.db2.gz BZKJPHIEVQDKFQ-VIFPVBQESA-N -1 0 392.333 3.397 20 30 GGEDRM N#CCCCCCC(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000588809868 567138566 /nfs/dbraw/zinc/13/85/66/567138566.db2.gz FJCODIUOKSXLLN-UHFFFAOYSA-N -1 0 378.479 3.356 20 30 GGEDRM COc1cc(C#N)ccc1[N-]S(=O)(=O)c1ccc(F)c(Br)c1 ZINC000546707627 567151137 /nfs/dbraw/zinc/15/11/37/567151137.db2.gz QUXLIMWRPRWIHL-UHFFFAOYSA-N -1 0 385.214 3.269 20 30 GGEDRM CC(C)Cc1cc([N-]S(=O)(=O)c2cc(Br)cc(C#N)c2)n[nH]1 ZINC000474429291 567169488 /nfs/dbraw/zinc/16/94/88/567169488.db2.gz FPLQWPDCDNXXJW-UHFFFAOYSA-N -1 0 383.271 3.043 20 30 GGEDRM Cc1cc([N-]S(=O)(=O)c2cc(C)c(Br)cc2C)n(CCC#N)n1 ZINC000523990160 567178520 /nfs/dbraw/zinc/17/85/20/567178520.db2.gz LAFZGNWMWQRCKW-UHFFFAOYSA-N -1 0 397.298 3.285 20 30 GGEDRM C[C@@H](NC(=O)N=c1[n-]nc(SCc2ccc(C#N)cc2)s1)C(C)(F)F ZINC000454520479 567180376 /nfs/dbraw/zinc/18/03/76/567180376.db2.gz PHMNGXBMZCZLLI-SECBINFHSA-N -1 0 383.449 3.289 20 30 GGEDRM COc1cc(Br)cc([N-]S(=O)(=O)c2cccc(C)c2C#N)c1 ZINC000498487629 567180984 /nfs/dbraw/zinc/18/09/84/567180984.db2.gz MJJCQEWRZVBSLJ-UHFFFAOYSA-N -1 0 381.251 3.439 20 30 GGEDRM CCOC(=O)c1c(C)c(C)sc1[N-]S(=O)(=O)c1cccc(CC#N)c1 ZINC000589588947 567184482 /nfs/dbraw/zinc/18/44/82/567184482.db2.gz QHBNVLPQGCDGNN-UHFFFAOYSA-N -1 0 378.475 3.409 20 30 GGEDRM CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)cn1 ZINC000432759353 567187336 /nfs/dbraw/zinc/18/73/36/567187336.db2.gz RFBNSZFOOSCHAB-UHFFFAOYSA-N -1 0 396.266 3.304 20 30 GGEDRM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000432769368 567188572 /nfs/dbraw/zinc/18/85/72/567188572.db2.gz CBNSXELODPGVQT-UHFFFAOYSA-N -1 0 381.251 3.439 20 30 GGEDRM COc1cc(C)ccc1[N-]S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000432774480 567189041 /nfs/dbraw/zinc/18/90/41/567189041.db2.gz PISNKEOZYCODNS-UHFFFAOYSA-N -1 0 381.251 3.439 20 30 GGEDRM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)c2n[nH]cc21 ZINC000432777052 567190429 /nfs/dbraw/zinc/19/04/29/567190429.db2.gz SKCIPOYIKYHWAE-UHFFFAOYSA-N -1 0 391.250 3.306 20 30 GGEDRM COc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000432778288 567190615 /nfs/dbraw/zinc/19/06/15/567190615.db2.gz DHQFZODYJRFBJT-UHFFFAOYSA-N -1 0 385.214 3.269 20 30 GGEDRM Cc1c([N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)cnn1CC(C)C ZINC000432778145 567190853 /nfs/dbraw/zinc/19/08/53/567190853.db2.gz GJTUOYUQIRPGKQ-UHFFFAOYSA-N -1 0 397.298 3.283 20 30 GGEDRM N#C[C@@H](NC(=O)c1nn(-c2ccccc2)cc1[O-])c1ccccc1Br ZINC000589838416 567195353 /nfs/dbraw/zinc/19/53/53/567195353.db2.gz GZVBFCOKWQFVEV-OAHLLOKOSA-N -1 0 397.232 3.335 20 30 GGEDRM CCCCc1cc([N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)n[nH]1 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GGEDRM C#Cc1cccc(N(Cc2cccs2)S(=O)(=O)c2ccc(C(=O)[O-])o2)c1 ZINC000736090768 599739440 /nfs/dbraw/zinc/73/94/40/599739440.db2.gz KESXCGWUKIXKGI-UHFFFAOYSA-N -1 0 387.438 3.416 20 30 GGEDRM N#Cc1ccc(NCC(=O)Nc2ncc(Cc3cccc(C(=O)[O-])c3)s2)cc1 ZINC000739121405 599741701 /nfs/dbraw/zinc/74/17/01/599741701.db2.gz PSPVCSINGYZEQU-UHFFFAOYSA-N -1 0 392.440 3.354 20 30 GGEDRM N#C[C@@H](NC(=O)c1ccc(C(=O)[O-])cn1)c1ccc(OCc2ccccc2)cc1 ZINC000739075930 599752032 /nfs/dbraw/zinc/75/20/32/599752032.db2.gz WTMRNSZFDLACRB-HXUWFJFHSA-N -1 0 387.395 3.353 20 30 GGEDRM N#Cc1c(NC(=O)CN[C@H](C(=O)[O-])c2ccccc2)sc2c1CCCCC2 ZINC000739092769 599758103 /nfs/dbraw/zinc/75/81/03/599758103.db2.gz JNUJAXFPIJHKOG-SFHVURJKSA-N -1 0 383.473 3.243 20 30 GGEDRM N#CCOc1ccc(CNC(=O)Nc2cc(C(=O)[O-])ccc2N2CCCC2)cc1 ZINC000739086498 599789433 /nfs/dbraw/zinc/78/94/33/599789433.db2.gz AHYKNARYFRRBAX-UHFFFAOYSA-N -1 0 394.431 3.209 20 30 GGEDRM CC(=O)c1[nH]c(CC(=O)N2CCCSC2=Nc2ccccc2)c(C(=O)[O-])c1C ZINC000736182617 599790329 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CCOc1cc(C(=O)Nc2cc(C#N)cn2C(C)(C)C)ccc1OCC(=O)[O-] ZINC000737185453 599804201 /nfs/dbraw/zinc/80/42/01/599804201.db2.gz SVMNLFCNDMHROO-UHFFFAOYSA-N -1 0 385.420 3.229 20 30 GGEDRM N#Cc1cccc(NC(=O)CNc2ccc(C(=O)[O-])cc2OCC(F)(F)F)c1 ZINC000739133764 599809685 /nfs/dbraw/zinc/80/96/85/599809685.db2.gz NWHKMBQGVXIYCL-UHFFFAOYSA-N -1 0 393.321 3.248 20 30 GGEDRM N#Cc1cccc(OCc2ccoc2C(=O)Nc2cccc(OCC(=O)[O-])c2)c1 ZINC000738433842 599809901 /nfs/dbraw/zinc/80/99/01/599809901.db2.gz MKZYOHIVOZIACO-UHFFFAOYSA-N -1 0 392.367 3.446 20 30 GGEDRM N#Cc1cccc(OCc2ccoc2C(=O)Nc2nc(CC(=O)[O-])cs2)c1 ZINC000738433553 599810943 /nfs/dbraw/zinc/81/09/43/599810943.db2.gz ILFGGRVHXJTFJH-UHFFFAOYSA-N -1 0 383.385 3.066 20 30 GGEDRM N#Cc1ccc(N2CCN(C(=O)Nc3ccc(CCC(=O)[O-])cc3)CC2)c(F)c1 ZINC000739122458 599823852 /nfs/dbraw/zinc/82/38/52/599823852.db2.gz GETOHEUJYHQATO-UHFFFAOYSA-N -1 0 396.422 3.069 20 30 GGEDRM N#Cc1ccccc1N1CCCN(C(=O)Nc2ccc(CCC(=O)[O-])cc2)CC1 ZINC000739147607 599826348 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GGEDRM C#Cc1cccc(N(Cc2ccco2)S(=O)(=O)c2cc(C(=O)[O-])ccc2F)c1 ZINC000736091114 599849998 /nfs/dbraw/zinc/84/99/98/599849998.db2.gz OXECGTMFRGODSD-UHFFFAOYSA-N -1 0 399.399 3.494 20 30 GGEDRM C#Cc1cccc(N(Cc2ccco2)S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)c1 ZINC000736091501 599850038 /nfs/dbraw/zinc/85/00/38/599850038.db2.gz XCNREFSGLIRYJU-UHFFFAOYSA-N -1 0 397.408 3.060 20 30 GGEDRM Cc1ccccc1-c1cccc([C@H]2NC(=S)NC(C(=O)[O-])=C2C(=O)C2CC2)c1 ZINC000738321912 599850343 /nfs/dbraw/zinc/85/03/43/599850343.db2.gz YXOIBTYQSNOPLY-GOSISDBHSA-N -1 0 392.480 3.499 20 30 GGEDRM Cc1ccccc1-c1cccc([C@@H]2NC(=S)NC(C(=O)[O-])=C2C(=O)C2CC2)c1 ZINC000738321913 599850383 /nfs/dbraw/zinc/85/03/83/599850383.db2.gz YXOIBTYQSNOPLY-SFHVURJKSA-N -1 0 392.480 3.499 20 30 GGEDRM CC(=O)C1=C(C(=O)[O-])N(Cc2cccs2)C(=O)N[C@@H]1c1ccc(F)c(C)c1 ZINC000736124353 599850837 /nfs/dbraw/zinc/85/08/37/599850837.db2.gz APOXBELORPGGDF-MRXNPFEDSA-N -1 0 388.420 3.390 20 30 GGEDRM 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599855984 /nfs/dbraw/zinc/85/59/84/599855984.db2.gz YKRCDYQLURQLBM-GJZGRUSLSA-N -1 0 375.494 3.349 20 30 GGEDRM N#Cc1ccc(OCc2ccc(C(=O)N[C@@H](Cc3ccccc3)C(=O)[O-])o2)cc1 ZINC000738431239 599862194 /nfs/dbraw/zinc/86/21/94/599862194.db2.gz SLNSNAZTORFYIJ-IBGZPJMESA-N -1 0 390.395 3.156 20 30 GGEDRM N#Cc1cccc(OCc2ccoc2C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])c1 ZINC000739140735 599862656 /nfs/dbraw/zinc/86/26/56/599862656.db2.gz ZUAURVSZRIRGTP-LJQANCHMSA-N -1 0 390.395 3.156 20 30 GGEDRM C[C@H](OC(=O)c1ccccc1NC(=O)[O-])C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000736696419 599867489 /nfs/dbraw/zinc/86/74/89/599867489.db2.gz IBGOESKTWNFKQD-ZDUSSCGKSA-N -1 0 399.378 3.408 20 30 GGEDRM C[C@H](OC(=O)c1ccccc1NC(=O)[O-])C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000736761993 599867962 /nfs/dbraw/zinc/86/79/62/599867962.db2.gz JNZCZGPLRDAMBQ-DMAKZNTKSA-N -1 0 387.436 3.253 20 30 GGEDRM Cc1[nH]c(C(=O)[C@H](C)OC(=O)c2cc3ccccc3n2CC#N)c(C)c1C(=O)[O-] ZINC000738236585 599871173 /nfs/dbraw/zinc/87/11/73/599871173.db2.gz 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395.362 3.284 20 30 GGEDRM N#Cc1ccc(Cc2cnc(NC(=O)[C@H]3C[C@@H]3C(=O)[O-])s2)c(C(F)(F)F)c1 ZINC000739119099 600072671 /nfs/dbraw/zinc/07/26/71/600072671.db2.gz XORWQXKCJGNBOM-RYUDHWBXSA-N -1 0 395.362 3.284 20 30 GGEDRM N#C[C@H](NC(=O)c1ccc(OCC(=O)[O-])cc1)c1ccc(Cl)c(Cl)c1 ZINC000739074316 600072729 /nfs/dbraw/zinc/07/27/29/600072729.db2.gz HWYVAWOGYKJGJZ-HNNXBMFYSA-N -1 0 379.199 3.451 20 30 GGEDRM C=CCn1c(-c2ccncc2)nn(CN2Cc3ccc(C(=O)[O-])cc3C2)c1=S ZINC000736118816 600077445 /nfs/dbraw/zinc/07/74/45/600077445.db2.gz YKVFFMKPBUYRCM-UHFFFAOYSA-N -1 0 393.472 3.334 20 30 GGEDRM C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000736218854 600089456 /nfs/dbraw/zinc/08/94/56/600089456.db2.gz DCFLJEIFHZYCBC-LLVKDONJSA-N -1 0 381.457 3.149 20 30 GGEDRM N#Cc1ccc(Cl)cc1NC(=O)COC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000739118172 600093908 /nfs/dbraw/zinc/09/39/08/600093908.db2.gz OGEFLILUVHWIJN-UHFFFAOYSA-N -1 0 386.791 3.024 20 30 GGEDRM C=C(C)COc1cccc(NS(=O)(=O)c2ccc(OCCC(=O)[O-])cc2)c1 ZINC000736094858 600098996 /nfs/dbraw/zinc/09/89/96/600098996.db2.gz ZUTNADCYCLCWPY-UHFFFAOYSA-N -1 0 391.445 3.296 20 30 GGEDRM N#C[C@H](C(=O)CCc1ccc(C(=O)[O-])cc1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000739074284 600100227 /nfs/dbraw/zinc/10/02/27/600100227.db2.gz HOABWXBDDOYHBW-CQSZACIVSA-N -1 0 388.782 3.457 20 30 GGEDRM O=C([O-])c1cccc(C#Cc2cccc(NC(=O)N3CCC(CCO)CC3)c2)c1 ZINC000740212344 600113175 /nfs/dbraw/zinc/11/31/75/600113175.db2.gz HDEHSHRNGHIMCM-UHFFFAOYSA-N -1 0 392.455 3.411 20 30 GGEDRM N#Cc1ccc(OC2CCN(C(=O)Nc3ccc(OCC(=O)[O-])cc3)CC2)cc1 ZINC000739121443 600120358 /nfs/dbraw/zinc/12/03/58/600120358.db2.gz PYRQXFQJOBOSLM-UHFFFAOYSA-N -1 0 395.415 3.097 20 30 GGEDRM N#Cc1ccc(OC2CCN(C(=O)Nc3cccc(OCC(=O)[O-])c3)CC2)cc1 ZINC000738431253 600121298 /nfs/dbraw/zinc/12/12/98/600121298.db2.gz TTXIBDDPWQEAKD-UHFFFAOYSA-N -1 0 395.415 3.097 20 30 GGEDRM C#CCOc1ccccc1[C@@H](C)OC(=O)Cc1[nH]c(C(C)=O)c(C)c1C(=O)[O-] ZINC000736088622 600138112 /nfs/dbraw/zinc/13/81/12/600138112.db2.gz XQBQMFMWRUPEFZ-CQSZACIVSA-N -1 0 383.400 3.083 20 30 GGEDRM Cc1cc(C(=O)OCC(=O)c2cc(C(=O)[O-])co2)c(C)n1-c1ccc(C#N)cc1 ZINC000738351852 600144253 /nfs/dbraw/zinc/14/42/53/600144253.db2.gz MYOGBBAQEGJNHC-UHFFFAOYSA-N -1 0 392.367 3.297 20 30 GGEDRM C=CCn1c(Cc2ccccc2)nnc1SCC(=O)c1cc(C(=O)[O-])co1 ZINC000736117728 600147963 /nfs/dbraw/zinc/14/79/63/600147963.db2.gz MKHMWMYYCMATDL-UHFFFAOYSA-N -1 0 383.429 3.321 20 30 GGEDRM Cc1ccc([C@H](CNC(=O)[C@H](Oc2ccccc2C#N)C(C)C)C(=O)[O-])cc1 ZINC000738553943 600156026 /nfs/dbraw/zinc/15/60/26/600156026.db2.gz XJRFQPAZDLXOOP-AZUAARDMSA-N -1 0 380.444 3.255 20 30 GGEDRM Cc1ccc([C@@H](CNC(=O)[C@@H](Oc2ccccc2C#N)C(C)C)C(=O)[O-])cc1 ZINC000738553945 600156252 /nfs/dbraw/zinc/15/62/52/600156252.db2.gz XJRFQPAZDLXOOP-QUCCMNQESA-N -1 0 380.444 3.255 20 30 GGEDRM CC(C)CCC(=O)NCC(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC000736429162 600159183 /nfs/dbraw/zinc/15/91/83/600159183.db2.gz RSHHDMLBCJONKG-UHFFFAOYSA-N -1 0 392.455 3.276 20 30 GGEDRM N#Cc1cccc(OC2CCN(C(=O)NCCc3ccc(C(=O)[O-])cc3)CC2)c1 ZINC000739133099 600164017 /nfs/dbraw/zinc/16/40/17/600164017.db2.gz AMUAHFBYBNRCFP-UHFFFAOYSA-N -1 0 393.443 3.052 20 30 GGEDRM O=C([O-])c1cccc(C#Cc2cccc(NC(=O)N3CCC[C@@H](CCO)C3)c2)c1 ZINC000740212340 600175883 /nfs/dbraw/zinc/17/58/83/600175883.db2.gz GYQZTLPIAOCOIC-IBGZPJMESA-N -1 0 392.455 3.411 20 30 GGEDRM CS(=O)(=O)c1ccccc1NN=Cc1ccc(-c2ccc(C(=O)[O-])cc2)o1 ZINC000738141958 600181432 /nfs/dbraw/zinc/18/14/32/600181432.db2.gz LUYIESRKNRAKRO-UHFFFAOYSA-N -1 0 384.413 3.494 20 30 GGEDRM O=C([O-])c1ccc2[nH]cc(CN=Nc3ncnc4c3cnn4-c3ccccc3)c2c1 ZINC000740191233 600182111 /nfs/dbraw/zinc/18/21/11/600182111.db2.gz VKENQGNSYGUJHL-UHFFFAOYSA-N -1 0 397.398 3.441 20 30 GGEDRM O=C([O-])c1ccc2[nH]cc(C=NN3C(=S)N=NC3c3ccc(F)cc3)c2c1 ZINC000740190220 600182129 /nfs/dbraw/zinc/18/21/29/600182129.db2.gz MYHYRIGGPUHKJQ-UHFFFAOYSA-N -1 0 381.392 3.435 20 30 GGEDRM CCOc1cc(CN=Nc2cc(C)ncn2)ccc1OCc1ccc(C(=O)[O-])o1 ZINC000737192321 600182373 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378.428 3.145 20 30 GGEDRM C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC000736701527 600210738 /nfs/dbraw/zinc/21/07/38/600210738.db2.gz XPSHWDVSYMXROV-SNVBAGLBSA-N -1 0 376.315 3.264 20 30 GGEDRM C=CCNC(=O)Nc1ccc(NC(=O)Nc2cccc(OCC(=O)[O-])c2)cc1 ZINC000736105772 600228629 /nfs/dbraw/zinc/22/86/29/600228629.db2.gz JQVKMRFMIWNPDU-UHFFFAOYSA-N -1 0 384.392 3.102 20 30 GGEDRM CC(=O)C1=C(C(=O)[O-])N(Cc2ccccc2)C(=O)N[C@@H]1c1cc(C)ccc1F ZINC000736124932 600252495 /nfs/dbraw/zinc/25/24/95/600252495.db2.gz CKGXCWCCEWQEEN-GOSISDBHSA-N -1 0 382.391 3.328 20 30 GGEDRM CC(=O)C1=C(C(=O)[O-])N(Cc2cccs2)C(=O)N[C@H]1c1cc(C)ccc1F ZINC000736125721 600253352 /nfs/dbraw/zinc/25/33/52/600253352.db2.gz KZJKPSDIVJJMLJ-INIZCTEOSA-N -1 0 388.420 3.390 20 30 GGEDRM CC(=O)C1=C(C(=O)[O-])N(Cc2cccs2)C(=O)N[C@@H]1c1cc(C)ccc1F ZINC000736125724 600253452 /nfs/dbraw/zinc/25/34/52/600253452.db2.gz KZJKPSDIVJJMLJ-MRXNPFEDSA-N -1 0 388.420 3.390 20 30 GGEDRM Cc1ccc(F)c([C@H]2NC(=O)N(CC3CC3)C(C(=O)[O-])=C2C(=O)c2ccco2)c1 ZINC000738604447 600253932 /nfs/dbraw/zinc/25/39/32/600253932.db2.gz SUDCRFHEWCGVPK-QGZVFWFLSA-N -1 0 398.390 3.425 20 30 GGEDRM CC[C@H](C#N)Oc1cccc(CNC(=O)Cn2cc(C(=O)[O-])c3ccccc32)c1 ZINC000736848849 600257625 /nfs/dbraw/zinc/25/76/25/600257625.db2.gz NWLXEHFPJHFACA-MRXNPFEDSA-N -1 0 391.427 3.337 20 30 GGEDRM N#Cc1ccc(Oc2ccc(C(=O)N3CCC4(C[C@H]4C(=O)[O-])CC3)cc2)nc1 ZINC000739129031 600266974 /nfs/dbraw/zinc/26/69/74/600266974.db2.gz PMYJLMNFKGJIFO-KRWDZBQOSA-N -1 0 377.400 3.072 20 30 GGEDRM COc1cc(COC(=O)C(C)(C)NC(=O)[O-])ccc1OCc1cccc(C#N)c1 ZINC000737886485 600267156 /nfs/dbraw/zinc/26/71/56/600267156.db2.gz PBZHTHKZIIHDNX-UHFFFAOYSA-N -1 0 398.415 3.235 20 30 GGEDRM N#Cc1cccc(OCc2ccoc2C(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)c1 ZINC000739139513 600268680 /nfs/dbraw/zinc/26/86/80/600268680.db2.gz HQJZEFWZTKAJNJ-KRWDZBQOSA-N -1 0 380.400 3.057 20 30 GGEDRM N#Cc1ccccc1COc1ccc(C(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)cc1 ZINC000739147750 600273245 /nfs/dbraw/zinc/27/32/45/600273245.db2.gz ZWNOOSLRGHETER-HXUWFJFHSA-N -1 0 390.439 3.464 20 30 GGEDRM COC(=O)c1cc(OCc2cc(Cl)ccc2OCC#N)cc(C(=O)[O-])c1 ZINC000737675899 600274104 /nfs/dbraw/zinc/27/41/04/600274104.db2.gz STGADTRRDLMFNQ-UHFFFAOYSA-N -1 0 375.764 3.306 20 30 GGEDRM N#Cc1ccccc1OCc1ccc(C(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)o1 ZINC000739146476 600275777 /nfs/dbraw/zinc/27/57/77/600275777.db2.gz FFQIOGNCBNLEKG-MRXNPFEDSA-N -1 0 380.400 3.057 20 30 GGEDRM C=CCn1c(Cc2ccccc2)nn(CN2CCC3(C[C@H]3C(=O)[O-])CC2)c1=S ZINC000736116977 600278848 /nfs/dbraw/zinc/27/88/48/600278848.db2.gz HGBSPKLSQBNPFS-KRWDZBQOSA-N -1 0 398.532 3.335 20 30 GGEDRM C=CCn1c(Cc2ccccc2)nn(CN2CCC3(C[C@@H]3C(=O)[O-])CC2)c1=S ZINC000736116979 600279127 /nfs/dbraw/zinc/27/91/27/600279127.db2.gz HGBSPKLSQBNPFS-QGZVFWFLSA-N -1 0 398.532 3.335 20 30 GGEDRM COc1cc(C#N)ccc1OCCCC(=O)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000737846386 600283071 /nfs/dbraw/zinc/28/30/71/600283071.db2.gz XHKNGKUQHXIKGE-UHFFFAOYSA-N -1 0 397.431 3.474 20 30 GGEDRM N#Cc1ccc(-c2ccn(CC(=O)Nc3sc4c(c3C(=O)[O-])CCC4)n2)cc1 ZINC000739102373 600283355 /nfs/dbraw/zinc/28/33/55/600283355.db2.gz WBQGXDRZWZIGRD-UHFFFAOYSA-N -1 0 392.440 3.309 20 30 GGEDRM N#Cc1c(NC(=O)CN2CCC3(C[C@H]3C(=O)[O-])CC2)sc2c1CCCCC2 ZINC000739091903 600289471 /nfs/dbraw/zinc/28/94/71/600289471.db2.gz CNUBFZFPTUPHIV-HNNXBMFYSA-N -1 0 387.505 3.014 20 30 GGEDRM C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000736200785 600290169 /nfs/dbraw/zinc/29/01/69/600290169.db2.gz DFKLTBIJHWYBFU-CABCVRRESA-N -1 0 387.505 3.064 20 30 GGEDRM C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000736200790 600290392 /nfs/dbraw/zinc/29/03/92/600290392.db2.gz DFKLTBIJHWYBFU-HUUCEWRRSA-N -1 0 387.505 3.064 20 30 GGEDRM CN(Cc1ccc(NS(=O)(=O)c2ccc(C#N)c(Cl)c2)cc1)C(=O)[O-] ZINC000737486875 600300390 /nfs/dbraw/zinc/30/03/90/600300390.db2.gz XWBGKQQFBXTBEX-UHFFFAOYSA-N -1 0 379.825 3.122 20 30 GGEDRM Cc1nn(CCC#N)c(C)c1CCC(=O)O[C@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000738921604 600326977 /nfs/dbraw/zinc/32/69/77/600326977.db2.gz LUCPGTXUKYKNGW-SFHVURJKSA-N -1 0 389.839 3.369 20 30 GGEDRM C[C@H](Nc1ccc(CNC(=O)[O-])cc1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000736672019 600327801 /nfs/dbraw/zinc/32/78/01/600327801.db2.gz OKYLJWGNHWJHGC-NSHDSACASA-N -1 0 384.461 3.315 20 30 GGEDRM CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2cccc(OCC(=O)[O-])c2)c1 ZINC000736847790 600335333 /nfs/dbraw/zinc/33/53/33/600335333.db2.gz GCLKRGLVQILAON-INIZCTEOSA-N -1 0 383.404 3.153 20 30 GGEDRM CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2cccc(OCC(=O)[O-])c2)c1 ZINC000736847800 600335586 /nfs/dbraw/zinc/33/55/86/600335586.db2.gz GCLKRGLVQILAON-MRXNPFEDSA-N -1 0 383.404 3.153 20 30 GGEDRM N#Cc1ccc(OC2CCN(C(=O)Nc3ccc(CNC(=O)[O-])cc3)CC2)cc1 ZINC000739121245 600348424 /nfs/dbraw/zinc/34/84/24/600348424.db2.gz MUTGBYYDRMIYQT-UHFFFAOYSA-N -1 0 394.431 3.401 20 30 GGEDRM CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(CNC(=O)[O-])cc2)c1 ZINC000736848481 600352137 /nfs/dbraw/zinc/35/21/37/600352137.db2.gz MBHSYCDLPOQOKI-KRWDZBQOSA-N -1 0 382.420 3.457 20 30 GGEDRM C[C@@H](COc1cccc(C#N)c1)OC(=O)Cn1cc(C(=O)[O-])c2ccccc21 ZINC000736617154 600360042 /nfs/dbraw/zinc/36/00/42/600360042.db2.gz VQAFODYUEOPOTG-AWEZNQCLSA-N -1 0 378.384 3.222 20 30 GGEDRM C=CCN(Cc1cccs1)C(=O)C(=O)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000736108910 600363942 /nfs/dbraw/zinc/36/39/42/600363942.db2.gz VTNGMCFLAWVMRL-UHFFFAOYSA-N -1 0 387.461 3.011 20 30 GGEDRM CC[C@@H](C(=O)[O-])N(C(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C)c1ccccc1 ZINC000736849183 600380196 /nfs/dbraw/zinc/38/01/96/600380196.db2.gz PHYFFRBFECIFGN-SFHVURJKSA-N -1 0 381.432 3.105 20 30 GGEDRM C=CCc1cc(C(=O)NCCc2ccc(NC(=O)[O-])cc2)cc(OC)c1OC ZINC000736113880 600382950 /nfs/dbraw/zinc/38/29/50/600382950.db2.gz CWURLOKADSPJRL-UHFFFAOYSA-N -1 0 384.432 3.495 20 30 GGEDRM C=CCC[C@H](NC(=O)c1cc(-c2nnn[n-]2)c(SC)[nH]c1=O)c1ccccc1 ZINC000819734384 607440135 /nfs/dbraw/zinc/44/01/35/607440135.db2.gz NMXRMQAEQVAJKA-HNNXBMFYSA-N -1 0 396.476 3.127 20 30 GGEDRM CN(c1ccccc1C(=O)[O-])S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000188406831 600394841 /nfs/dbraw/zinc/39/48/41/600394841.db2.gz DPZBINMHVONQTO-UHFFFAOYSA-N -1 0 384.335 3.100 20 30 GGEDRM C[C@@H](Sc1nc(-c2ccccc2)ccc1C#N)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000736718864 600403062 /nfs/dbraw/zinc/40/30/62/600403062.db2.gz VKVFHFRHXIHKTP-CQSZACIVSA-N -1 0 395.484 3.424 20 30 GGEDRM C[C@H](Sc1nc(-c2ccccc2)ccc1C#N)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000736718863 600403111 /nfs/dbraw/zinc/40/31/11/600403111.db2.gz VKVFHFRHXIHKTP-AWEZNQCLSA-N -1 0 395.484 3.424 20 30 GGEDRM N#Cc1ccc(-c2ccccc2)nc1SCC(=O)N1CCC(C(=O)[O-])CC1 ZINC000738430749 600403607 /nfs/dbraw/zinc/40/36/07/600403607.db2.gz OSLHZONZSYXQHR-UHFFFAOYSA-N -1 0 381.457 3.036 20 30 GGEDRM Cc1ccc(-c2cc(C(=O)N(CC#N)CC(=O)[O-])c3cnn(C(C)C)c3n2)s1 ZINC000738486618 600408246 /nfs/dbraw/zinc/40/82/46/600408246.db2.gz CCRZXFZWBHEUJK-UHFFFAOYSA-N -1 0 397.460 3.100 20 30 GGEDRM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000738347386 600424012 /nfs/dbraw/zinc/42/40/12/600424012.db2.gz JJIDLWLOZSCALF-UHFFFAOYSA-N -1 0 392.436 3.289 20 30 GGEDRM Cc1cccc(S(=O)(=O)Nc2cccc(C#Cc3ccccn3)c2)c1C(=O)[O-] ZINC000738744442 600424183 /nfs/dbraw/zinc/42/41/83/600424183.db2.gz LSFRGWQSBQGCPI-UHFFFAOYSA-N -1 0 392.436 3.289 20 30 GGEDRM Cc1cc(C)cc(N(CCC#N)C(=O)COc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c1 ZINC000738365308 600442465 /nfs/dbraw/zinc/44/24/65/600442465.db2.gz ZFBMDDMBKIXYEY-UHFFFAOYSA-N -1 0 397.387 3.236 20 30 GGEDRM C=CCN(CC1CCCCC1)C(=O)Nc1ccc(CC(=O)NCC(=O)[O-])cc1 ZINC000736108039 600468358 /nfs/dbraw/zinc/46/83/58/600468358.db2.gz HRZDJTQNHGEFAY-UHFFFAOYSA-N -1 0 387.480 3.030 20 30 GGEDRM CN(C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1nc(CC(=O)[O-])cs1 ZINC000737338487 600472191 /nfs/dbraw/zinc/47/21/91/600472191.db2.gz CQXWHEIYTYKLTL-UHFFFAOYSA-N -1 0 394.412 3.106 20 30 GGEDRM N#CCc1cccc(C(=O)Nc2cccc(C(=O)N3CCCC[C@H]3C(=O)[O-])c2)c1 ZINC000262715005 600487222 /nfs/dbraw/zinc/48/72/22/600487222.db2.gz GLNWIYODILGUCM-IBGZPJMESA-N -1 0 391.427 3.084 20 30 GGEDRM N#CCc1cccc(C(=O)Nc2cccc(C(=O)N3CCCC[C@@H]3C(=O)[O-])c2)c1 ZINC000262715006 600487301 /nfs/dbraw/zinc/48/73/01/600487301.db2.gz GLNWIYODILGUCM-LJQANCHMSA-N -1 0 391.427 3.084 20 30 GGEDRM Cc1ccc(C#N)cc1S(=O)(=O)Nc1cc(C(F)(F)F)ccc1C(=O)[O-] ZINC000738501394 600493149 /nfs/dbraw/zinc/49/31/49/600493149.db2.gz RCXHCYPBNPMHRP-UHFFFAOYSA-N -1 0 384.335 3.385 20 30 GGEDRM O=C([O-])C[C@H](/N=C\c1ccc(O)c(O)c1O)c1ccc(Br)cc1 ZINC000738563626 600494686 /nfs/dbraw/zinc/49/46/86/600494686.db2.gz NFDNHWMVHNGGQG-QTPLJXKRSA-N -1 0 380.194 3.201 20 30 GGEDRM O=C([O-])C[C@@H](/N=C\c1ccc(O)c(O)c1O)c1ccc(Br)cc1 ZINC000738563619 600494730 /nfs/dbraw/zinc/49/47/30/600494730.db2.gz NFDNHWMVHNGGQG-DREQZYJFSA-N -1 0 380.194 3.201 20 30 GGEDRM O=C([O-])C[C@H](/N=C/c1ccc(O)c(O)c1O)c1ccc(Br)cc1 ZINC000738563623 600494750 /nfs/dbraw/zinc/49/47/50/600494750.db2.gz NFDNHWMVHNGGQG-MEBUONCMSA-N -1 0 380.194 3.201 20 30 GGEDRM Cc1cc(C(=O)N(C)c2nc(CC(=O)[O-])cs2)c(C)n1-c1ccc(C#N)cc1 ZINC000738320873 600495798 /nfs/dbraw/zinc/49/57/98/600495798.db2.gz UWOGCKPDKUSXSS-UHFFFAOYSA-N -1 0 394.456 3.326 20 30 GGEDRM CC1=C(C(=O)C(=O)[O-])[C@@H](c2ccsc2)NC(=O)N1CCc1cccs1 ZINC000736747446 600506805 /nfs/dbraw/zinc/50/68/05/600506805.db2.gz RWTVURDZXXFTHN-CQSZACIVSA-N -1 0 376.459 3.046 20 30 GGEDRM CC1=C(C(=O)C(=O)[O-])[C@H](c2ccccc2F)NC(=O)N1CCc1cccs1 ZINC000736746886 600506901 /nfs/dbraw/zinc/50/69/01/600506901.db2.gz PGMGYYJDTMXUBZ-INIZCTEOSA-N -1 0 388.420 3.124 20 30 GGEDRM Cc1ccc([C@@H]2NC(=O)N(CCc3cccs3)C(C)=C2C(=O)C(=O)[O-])s1 ZINC000736744959 600506975 /nfs/dbraw/zinc/50/69/75/600506975.db2.gz GEKYIZCVSTZZME-HNNXBMFYSA-N -1 0 390.486 3.355 20 30 GGEDRM N#Cc1ccc(N2CCC(NC(=O)Nc3ccc(C(=O)[O-])c(Cl)c3)CC2)nc1 ZINC000739122512 600513874 /nfs/dbraw/zinc/51/38/74/600513874.db2.gz HLEBGCSBUCFLNM-UHFFFAOYSA-N -1 0 399.838 3.095 20 30 GGEDRM CSc1ccc([C@H](CC(=O)[O-])NS(=O)(=O)c2cc(C#N)ccc2C)cc1 ZINC000738203445 600516958 /nfs/dbraw/zinc/51/69/58/600516958.db2.gz ZGXKDFFLFYAVTE-INIZCTEOSA-N -1 0 390.486 3.083 20 30 GGEDRM C[C@H](Nc1ccc(OCC(=O)[O-])cc1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000736671050 600522495 /nfs/dbraw/zinc/52/24/95/600522495.db2.gz JDZYUTBVVCRHHK-NSHDSACASA-N -1 0 385.445 3.011 20 30 GGEDRM C[C@H](NC(=O)NCc1ccc(OCCCC(=O)[O-])cc1)c1ccc(C#N)cc1 ZINC000736647309 600528814 /nfs/dbraw/zinc/52/88/14/600528814.db2.gz PVGNGEUUVPMTRG-HNNXBMFYSA-N -1 0 381.432 3.362 20 30 GGEDRM N#Cc1ccc(Oc2ccc(NC(=O)NCc3ccc(C(=O)[O-])o3)cn2)cc1 ZINC000739129717 600542068 /nfs/dbraw/zinc/54/20/68/600542068.db2.gz AVTFZQMWCFSFFP-UHFFFAOYSA-N -1 0 378.344 3.358 20 30 GGEDRM C#CCOc1ccccc1CNC(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC000736087788 600543624 /nfs/dbraw/zinc/54/36/24/600543624.db2.gz KJHANXWOVWPIGH-UHFFFAOYSA-N -1 0 384.457 3.338 20 30 GGEDRM CC(C)(C)[C@@H](O)CNC(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC000736256680 600547899 /nfs/dbraw/zinc/54/78/99/600547899.db2.gz OLALWJGCBVMNFT-IBGZPJMESA-N -1 0 380.444 3.313 20 30 GGEDRM CC(C)(C)[C@H](O)CNC(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC000736256682 600547934 /nfs/dbraw/zinc/54/79/34/600547934.db2.gz OLALWJGCBVMNFT-LJQANCHMSA-N -1 0 380.444 3.313 20 30 GGEDRM N#Cc1ccc([C@H](C(=O)[O-])N2CCN(c3nc4ccccc4s3)CC2)cc1 ZINC000739104767 600564104 /nfs/dbraw/zinc/56/41/04/600564104.db2.gz HMVVHJMQRYPYRQ-GOSISDBHSA-N -1 0 378.457 3.116 20 30 GGEDRM N#Cc1ccc([C@H](C(=O)[O-])N2CCN(C(=O)c3cccc4ccccc43)CC2)cc1 ZINC000739107322 600564190 /nfs/dbraw/zinc/56/41/90/600564190.db2.gz WKLGYMJKXQOITL-JOCHJYFZSA-N -1 0 399.450 3.295 20 30 GGEDRM CC(C)(C)c1nc(CN2CCN([C@@H](C(=O)[O-])c3ccc(C#N)cc3)CC2)cs1 ZINC000736302663 600564714 /nfs/dbraw/zinc/56/47/14/600564714.db2.gz ASQXYNXDTOFRIJ-GOSISDBHSA-N -1 0 398.532 3.256 20 30 GGEDRM N#Cc1ccc([C@@H](C(=O)[O-])N2CCN(c3ncc(Cl)cc3Cl)CC2)cc1 ZINC000739106353 600565145 /nfs/dbraw/zinc/56/51/45/600565145.db2.gz RMJWHVXPXSROIV-INIZCTEOSA-N -1 0 391.258 3.208 20 30 GGEDRM CC(=O)N(c1nc(/C=C/C(=O)c2ccc(OCC(=O)[O-])cc2)cs1)C1CC1 ZINC000736131083 600566591 /nfs/dbraw/zinc/56/65/91/600566591.db2.gz RMGGVANYIJJEGA-RUDMXATFSA-N -1 0 386.429 3.018 20 30 GGEDRM N#Cc1ccc(NC(=S)NCc2cccc(OCC(=O)[O-])c2)cc1Cl ZINC000739120987 600568239 /nfs/dbraw/zinc/56/82/39/600568239.db2.gz IPBYCYHMNZRGNJ-UHFFFAOYSA-N -1 0 375.837 3.162 20 30 GGEDRM N#Cc1ccc(OCc2cccc(C(=O)Nc3cc(C(=O)[O-])c[nH]c3=O)c2)cc1 ZINC000739128735 600571118 /nfs/dbraw/zinc/57/11/18/600571118.db2.gz JKFZEHLPXKPRCO-UHFFFAOYSA-N -1 0 389.367 3.188 20 30 GGEDRM CN([C@@H](C(=O)[O-])c1ccc(C#N)cc1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000737386062 600571189 /nfs/dbraw/zinc/57/11/89/600571189.db2.gz IRETXCCWVLDMRX-ZWKOTPCHSA-N -1 0 383.835 3.075 20 30 GGEDRM CN([C@H](C(=O)[O-])c1ccc(C#N)cc1)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000737386047 600571399 /nfs/dbraw/zinc/57/13/99/600571399.db2.gz IRETXCCWVLDMRX-MSOLQXFVSA-N -1 0 383.835 3.075 20 30 GGEDRM C[C@H](CN(C(=O)c1cccc(COc2cccc(C#N)c2)c1)C1CC1)C(=O)[O-] ZINC000736566390 600572346 /nfs/dbraw/zinc/57/23/46/600572346.db2.gz OPVBUTQWOQRPCX-OAHLLOKOSA-N -1 0 378.428 3.463 20 30 GGEDRM Cc1oc(CN=Nc2cc(C(F)(F)F)nc(-c3ccncc3)n2)cc1C(=O)[O-] ZINC000738968793 600581085 /nfs/dbraw/zinc/58/10/85/600581085.db2.gz AFGSDTRBAHJHEX-UHFFFAOYSA-N -1 0 391.309 3.025 20 30 GGEDRM N#Cc1ccc([C@H](Nc2ccc(I)cc2)C(=O)[O-])cc1 ZINC000739110218 600590707 /nfs/dbraw/zinc/59/07/07/600590707.db2.gz OWYDJTIDAOHBHS-AWEZNQCLSA-N -1 0 378.169 3.401 20 30 GGEDRM N#Cc1ccc([C@@H](Nc2ccc(I)cc2)C(=O)[O-])cc1 ZINC000739110221 600590729 /nfs/dbraw/zinc/59/07/29/600590729.db2.gz OWYDJTIDAOHBHS-CQSZACIVSA-N -1 0 378.169 3.401 20 30 GGEDRM COc1ccc(N[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1N1CCCCC1=O ZINC000738041197 600593620 /nfs/dbraw/zinc/59/36/20/600593620.db2.gz YNOUXCVWHSLTLX-FQEVSTJZSA-N -1 0 379.416 3.322 20 30 GGEDRM Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)CSC[C@H](C)C(=O)[O-])c1C#N ZINC000738252614 600596623 /nfs/dbraw/zinc/59/66/23/600596623.db2.gz GRYIOFVESYQEKU-NSHDSACASA-N -1 0 389.452 3.497 20 30 GGEDRM N#Cc1ccc(NCC(=O)NC[C@H](Cc2cccc3ccccc32)C(=O)[O-])cc1 ZINC000739121031 600599741 /nfs/dbraw/zinc/59/97/41/600599741.db2.gz JUGUPFMJADFGDS-IBGZPJMESA-N -1 0 387.439 3.183 20 30 GGEDRM CON=Cc1ccc(C(=O)NC[C@H](Cc2cccc3ccccc32)C(=O)[O-])cc1 ZINC000737839847 600601095 /nfs/dbraw/zinc/60/10/95/600601095.db2.gz QMHOJSABLSPLII-FQEVSTJZSA-N -1 0 390.439 3.493 20 30 GGEDRM N#Cc1cccc(OCC(=O)NC[C@@H](Cc2cccc3ccccc32)C(=O)[O-])c1 ZINC000739133137 600601995 /nfs/dbraw/zinc/60/19/95/600601995.db2.gz CSNYJFSPXREMFP-LJQANCHMSA-N -1 0 388.423 3.150 20 30 GGEDRM Cc1c(C)n(Cc2ccco2)c(NC(=O)CCSC[C@H](C)C(=O)[O-])c1C#N ZINC000738253276 600602246 /nfs/dbraw/zinc/60/22/46/600602246.db2.gz NSNAQYQSMHCAHV-LBPRGKRZSA-N -1 0 389.477 3.400 20 30 GGEDRM Cc1cc(C)n(-c2ccc(C(=O)O[C@@H](C(=O)[O-])c3ccc(C#N)cc3)cc2)n1 ZINC000738369046 600603193 /nfs/dbraw/zinc/60/31/93/600603193.db2.gz KDCRUAVMCBWTIV-LJQANCHMSA-N -1 0 375.384 3.344 20 30 GGEDRM N#Cc1ccc([C@@H](OC(=O)COc2ccc(Br)cc2)C(=O)[O-])cc1 ZINC000739108703 600604383 /nfs/dbraw/zinc/60/43/83/600604383.db2.gz GEHZXMOJLFKAIX-MRXNPFEDSA-N -1 0 390.189 3.069 20 30 GGEDRM N#Cc1ccc(OCC(=O)NC[C@@H](Cc2ccc3ccccc3c2)C(=O)[O-])cc1 ZINC000486379297 600604844 /nfs/dbraw/zinc/60/48/44/600604844.db2.gz KEMFHXJWMOBPKR-HXUWFJFHSA-N -1 0 388.423 3.150 20 30 GGEDRM N#Cc1ccc(NCC(=O)NC[C@H](Cc2ccc3ccccc3c2)C(=O)[O-])cc1 ZINC000739121816 600604998 /nfs/dbraw/zinc/60/49/98/600604998.db2.gz VKJQYRJPQMWWFV-FQEVSTJZSA-N -1 0 387.439 3.183 20 30 GGEDRM N#Cc1ccc([C@H](OC(=O)c2cc(Br)ccc2O)C(=O)[O-])cc1 ZINC000739114578 600605152 /nfs/dbraw/zinc/60/51/52/600605152.db2.gz IPZLLDWUQWGWSB-AWEZNQCLSA-N -1 0 376.162 3.009 20 30 GGEDRM N#Cc1ccc([C@H](OC(=O)/C=C/c2ccc(Br)o2)C(=O)[O-])cc1 ZINC000739109880 600605209 /nfs/dbraw/zinc/60/52/09/600605209.db2.gz NZZWKPFYPHRONI-VFADXPBXSA-N -1 0 376.162 3.296 20 30 GGEDRM N#Cc1ccc([C@@H](OC(=O)c2cc(Br)ccc2O)C(=O)[O-])cc1 ZINC000739114579 600605215 /nfs/dbraw/zinc/60/52/15/600605215.db2.gz IPZLLDWUQWGWSB-CQSZACIVSA-N -1 0 376.162 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399.491 3.090 20 30 GGEDRM C#CCOc1ccc(F)cc1NC(=O)NC[C@@H](Cc1cccc(F)c1)C(=O)[O-] ZINC000825632133 601098289 /nfs/dbraw/zinc/09/82/89/601098289.db2.gz SLAZTXALRAPYMT-CQSZACIVSA-N -1 0 388.370 3.042 20 30 GGEDRM C=CCOc1ccc(/C=C\C(=O)N(CC)c2ncc(C(=O)[O-])s2)cc1OC ZINC000736113970 601112544 /nfs/dbraw/zinc/11/25/44/601112544.db2.gz IKHDDGBZFINRGQ-CLFYSBASSA-N -1 0 388.445 3.481 20 30 GGEDRM CN(CC(=O)c1cn(CCC#N)c2ccccc12)[C@@H](C(=O)[O-])c1ccccc1 ZINC000830702078 601115025 /nfs/dbraw/zinc/11/50/25/601115025.db2.gz LRLYODJKZFDNEY-OAQYLSRUSA-N -1 0 375.428 3.495 20 30 GGEDRM C#CC[C@H](OC(=O)c1ccc(-n2nc(C)c(CCC(=O)[O-])c2C)cc1)C1CC1 ZINC000825600404 601143384 /nfs/dbraw/zinc/14/33/84/601143384.db2.gz OAZRZXFNJWPVTH-FQEVSTJZSA-N -1 0 380.444 3.465 20 30 GGEDRM O=C([O-])c1ccc(CNC(=O)C(=O)Nc2ccccc2C#Cc2ccccc2)cc1 ZINC000833144275 601156707 /nfs/dbraw/zinc/15/67/07/601156707.db2.gz OCHOOSDJEGHURR-UHFFFAOYSA-N -1 0 398.418 3.040 20 30 GGEDRM C=CCSc1ccccc1NC(=O)COC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 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0 379.460 3.071 20 30 GGEDRM CC(C)c1cnc(CN(C)[C@@H]2CCN([C@H](C(=O)[O-])c3cccc(C#N)c3)C2)o1 ZINC000827139463 601321096 /nfs/dbraw/zinc/32/10/96/601321096.db2.gz KRSCBALDGZXLME-XLIONFOSSA-N -1 0 382.464 3.002 20 30 GGEDRM CC(C)c1cnc(CN(C)[C@H]2CCN([C@@H](C(=O)[O-])c3cccc(C#N)c3)C2)o1 ZINC000827139459 601321460 /nfs/dbraw/zinc/32/14/60/601321460.db2.gz KRSCBALDGZXLME-FXAWDEMLSA-N -1 0 382.464 3.002 20 30 GGEDRM N#Cc1c(F)cccc1Oc1ccc(C(=O)NC2(CC(=O)[O-])CCOCC2)cc1 ZINC000833068291 601330150 /nfs/dbraw/zinc/33/01/50/601330150.db2.gz TZIHFDUGJLJZDI-UHFFFAOYSA-N -1 0 398.390 3.243 20 30 GGEDRM CC(=NNC(=S)N[C@H](C)C1CC1)c1cnc2sc(C(=O)[O-])c(C)c2c1 ZINC000825804219 601332194 /nfs/dbraw/zinc/33/21/94/601332194.db2.gz BACAEFQQXQGHGK-SECBINFHSA-N -1 0 376.507 3.290 20 30 GGEDRM Cc1ccc(NS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)cc1C(=O)[O-] ZINC000177623449 601332273 /nfs/dbraw/zinc/33/22/73/601332273.db2.gz CPZQFPTUODENQI-UHFFFAOYSA-N -1 0 384.335 3.385 20 30 GGEDRM Cc1cc(NS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)ccc1C(=O)[O-] ZINC000484778761 601332330 /nfs/dbraw/zinc/33/23/30/601332330.db2.gz HAIHEZXQKOEGOF-UHFFFAOYSA-N -1 0 384.335 3.385 20 30 GGEDRM CN(C(=O)[O-])c1ccc(NS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)cc1 ZINC000830518673 601332559 /nfs/dbraw/zinc/33/25/59/601332559.db2.gz HBURSKMKMUULRV-UHFFFAOYSA-N -1 0 399.350 3.492 20 30 GGEDRM CC(C)c1ccc(OCC2N=NC(=S)N2N=Cc2ccc(C(=O)[O-])[nH]2)cc1 ZINC000827129924 601337231 /nfs/dbraw/zinc/33/72/31/601337231.db2.gz ZDBBLAWYIIJFPD-UHFFFAOYSA-N -1 0 385.449 3.178 20 30 GGEDRM COc1cc(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)ccc1OC(F)F ZINC000831950972 601343589 /nfs/dbraw/zinc/34/35/89/601343589.db2.gz ZHRDVRTVHREWKT-OAHLLOKOSA-N -1 0 377.299 3.151 20 30 GGEDRM N#Cc1cccc([C@H](OC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)C(=O)[O-])c1 ZINC000833075702 601344336 /nfs/dbraw/zinc/34/43/36/601344336.db2.gz DEMWIWMYUHXAKZ-OALUTQOASA-N -1 0 381.384 3.099 20 30 GGEDRM C/C=C\c1ccc(OCC(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)c(OC)c1 ZINC000828542886 601344880 /nfs/dbraw/zinc/34/48/80/601344880.db2.gz PJXHPRAGNLOMMH-MNKBLEIRSA-N -1 0 381.384 3.348 20 30 GGEDRM Cc1nn(CC(C)C)c(C)c1CCC(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000833015890 601346071 /nfs/dbraw/zinc/34/60/71/601346071.db2.gz NHOFHJZQTMLISC-FQEVSTJZSA-N -1 0 383.448 3.329 20 30 GGEDRM Cc1c(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)cnn1-c1cccc(C)c1 ZINC000832963932 601346110 /nfs/dbraw/zinc/34/61/10/601346110.db2.gz YKGQSQOYLRWMEY-IBGZPJMESA-N -1 0 375.384 3.344 20 30 GGEDRM Cc1nn(CC(C)C)c(C)c1CCC(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000833015892 601346153 /nfs/dbraw/zinc/34/61/53/601346153.db2.gz NHOFHJZQTMLISC-HXUWFJFHSA-N -1 0 383.448 3.329 20 30 GGEDRM Cc1oc(-c2ccccc2)nc1CC(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000833024259 601346157 /nfs/dbraw/zinc/34/61/57/601346157.db2.gz WFSAXYGJKHRHPU-LJQANCHMSA-N -1 0 376.368 3.433 20 30 GGEDRM Cc1nc(SCC(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)c(C#N)c(C)c1C ZINC000833005190 601347042 /nfs/dbraw/zinc/34/70/42/601347042.db2.gz RKQHQHHNUQNVMU-SFHVURJKSA-N -1 0 395.440 3.211 20 30 GGEDRM N#Cc1cccc([C@@H](OC(=O)c2cc(Cl)c3c(c2)OCCCO3)C(=O)[O-])c1 ZINC000833077625 601347294 /nfs/dbraw/zinc/34/72/94/601347294.db2.gz XSTDIZNUXZOEOJ-MRXNPFEDSA-N -1 0 387.775 3.356 20 30 GGEDRM C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000828191463 601348139 /nfs/dbraw/zinc/34/81/39/601348139.db2.gz DDHHWXNVQOYMNY-PJSAGSTRSA-N -1 0 378.384 3.135 20 30 GGEDRM Cc1c(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)cnn1-c1ccc(F)cc1 ZINC000832852959 601348515 /nfs/dbraw/zinc/34/85/15/601348515.db2.gz DDHBHINLIRJDRZ-GOSISDBHSA-N -1 0 379.347 3.174 20 30 GGEDRM CCOc1cccc2c1OCC(C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1)=C2 ZINC000830104689 601349247 /nfs/dbraw/zinc/34/92/47/601349247.db2.gz MTNBSGXXPISFGK-LJQANCHMSA-N -1 0 379.368 3.102 20 30 GGEDRM COc1ccc(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1OC(F)F ZINC000832212857 601349298 /nfs/dbraw/zinc/34/92/98/601349298.db2.gz KDOLYVTXGONSAT-OAHLLOKOSA-N -1 0 377.299 3.151 20 30 GGEDRM Cc1c(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)cnn1Cc1ccccc1 ZINC000832853247 601349391 /nfs/dbraw/zinc/34/93/91/601349391.db2.gz HJFQOJMMGVYXDE-IBGZPJMESA-N -1 0 375.384 3.094 20 30 GGEDRM CCn1cc(Br)cc1C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830420094 601351825 /nfs/dbraw/zinc/35/18/25/601351825.db2.gz UAVURMLIXVBUIM-CQSZACIVSA-N -1 0 377.194 3.125 20 30 GGEDRM CCCNC(=O)Nc1ccc(CC(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000829512916 601351913 /nfs/dbraw/zinc/35/19/13/601351913.db2.gz BOTXPMXQCJRGDY-LJQANCHMSA-N -1 0 395.415 3.001 20 30 GGEDRM N#Cc1cccc([C@H](OC(=O)C2CCC(NC(=O)C3CCCC3)CC2)C(=O)[O-])c1 ZINC000833075301 601352226 /nfs/dbraw/zinc/35/22/26/601352226.db2.gz JYTGKIPWVHRIJJ-KVZIAJEVSA-N -1 0 398.459 3.092 20 30 GGEDRM N#Cc1cccc([C@H](OC(=O)c2cc(Br)cc(F)c2N)C(=O)[O-])c1 ZINC000833075757 601353021 /nfs/dbraw/zinc/35/30/21/601353021.db2.gz DKYKPJAGZATQGQ-AWEZNQCLSA-N -1 0 393.168 3.025 20 30 GGEDRM C[C@H](Oc1ccc(F)cc1Cl)C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000827889356 601353564 /nfs/dbraw/zinc/35/35/64/601353564.db2.gz BXTAANQWYUNOIL-MGPLVRAMSA-N -1 0 377.755 3.487 20 30 GGEDRM N#Cc1cccc([C@@H](OC(=O)c2cc(Cl)nc(N3CCCC3)c2)C(=O)[O-])c1 ZINC000833077161 601354124 /nfs/dbraw/zinc/35/41/24/601354124.db2.gz LWYUYWPORWTRFU-QGZVFWFLSA-N -1 0 385.807 3.190 20 30 GGEDRM N#Cc1cccc([C@H](OC(=O)c2cc(Cl)nc(N3CCCC3)c2)C(=O)[O-])c1 ZINC000833077160 601354151 /nfs/dbraw/zinc/35/41/51/601354151.db2.gz LWYUYWPORWTRFU-KRWDZBQOSA-N -1 0 385.807 3.190 20 30 GGEDRM N#Cc1cccc([C@H](OC(=O)c2cccc(Oc3cnccn3)c2)C(=O)[O-])c1 ZINC000833077131 601354240 /nfs/dbraw/zinc/35/42/40/601354240.db2.gz LGOVXVLFAJOLSR-SFHVURJKSA-N -1 0 375.340 3.123 20 30 GGEDRM CC(C)=CC(=O)NCc1ccc(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000826648269 601354514 /nfs/dbraw/zinc/35/45/14/601354514.db2.gz WVYIDSPNUSSCRR-HXUWFJFHSA-N -1 0 392.411 3.123 20 30 GGEDRM COc1ccc(Cl)cc1NCCC(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000832373503 601354710 /nfs/dbraw/zinc/35/47/10/601354710.db2.gz BZSURIFMZBRJPD-GOSISDBHSA-N -1 0 388.807 3.391 20 30 GGEDRM COc1ccc(Cl)cc1NCCC(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000832373532 601354850 /nfs/dbraw/zinc/35/48/50/601354850.db2.gz BZSURIFMZBRJPD-SFHVURJKSA-N -1 0 388.807 3.391 20 30 GGEDRM Cc1c(N)c(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)ccc1Br ZINC000832848005 601354861 /nfs/dbraw/zinc/35/48/61/601354861.db2.gz IOSZGYUUOYHUDO-OAHLLOKOSA-N -1 0 389.205 3.194 20 30 GGEDRM N#Cc1cccc([C@@H](OC(=O)c2ccc(F)c(Br)c2)C(=O)[O-])c1 ZINC000833077195 601355151 /nfs/dbraw/zinc/35/51/51/601355151.db2.gz MXCSUJFEMUOMFX-CQSZACIVSA-N -1 0 378.153 3.443 20 30 GGEDRM N#Cc1cccc([C@@H](OC(=O)c2cccc(-c3noc(C4CC4)n3)c2)C(=O)[O-])c1 ZINC000833077387 601355242 /nfs/dbraw/zinc/35/52/42/601355242.db2.gz QUHUBLJBQVQPGZ-QGZVFWFLSA-N -1 0 389.367 3.468 20 30 GGEDRM COc1ccc(C(=O)CCC(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1F ZINC000832157304 601357008 /nfs/dbraw/zinc/35/70/08/601357008.db2.gz ORGPHLMQCYREGV-LJQANCHMSA-N -1 0 385.347 3.038 20 30 GGEDRM N#Cc1cccc([C@@H](OC(=O)c2ccc(-c3nc(C4CC4)no3)cc2)C(=O)[O-])c1 ZINC000833075400 601359433 /nfs/dbraw/zinc/35/94/33/601359433.db2.gz ASUKIYSHDGXBGH-QGZVFWFLSA-N -1 0 389.367 3.468 20 30 GGEDRM N#Cc1cccc([C@H](OC(=O)c2ccc(-c3nc(C4CC4)no3)cc2)C(=O)[O-])c1 ZINC000833075399 601359655 /nfs/dbraw/zinc/35/96/55/601359655.db2.gz ASUKIYSHDGXBGH-KRWDZBQOSA-N -1 0 389.367 3.468 20 30 GGEDRM O=C([O-])c1cc(S(=O)(=O)Nc2cccc(C#Cc3ccccn3)c2)ccc1F ZINC000738678214 601360822 /nfs/dbraw/zinc/36/08/22/601360822.db2.gz CCUXOUQJKWOQND-UHFFFAOYSA-N -1 0 396.399 3.120 20 30 GGEDRM C=CCn1c(-c2ccc(Cl)cc2)nn(CN2CC[C@](F)(C(=O)[O-])C2)c1=S ZINC000825706103 601371421 /nfs/dbraw/zinc/37/14/21/601371421.db2.gz YJJGYPMLBRQUNM-QGZVFWFLSA-N -1 0 396.875 3.377 20 30 GGEDRM C=CCn1c(-c2cccc(C)c2)nn(CN2CC[C@@](F)(C(=O)[O-])C2)c1=S ZINC000825705292 601371531 /nfs/dbraw/zinc/37/15/31/601371531.db2.gz AXZLKXBATWCVSR-SFHVURJKSA-N -1 0 376.457 3.032 20 30 GGEDRM Cc1c(C(=O)[O-])cccc1S(=O)(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000832851630 601385955 /nfs/dbraw/zinc/38/59/55/601385955.db2.gz BAEMHBOWMPJACE-MSOLQXFVSA-N -1 0 384.457 3.154 20 30 GGEDRM Cc1ccc(C#N)cc1S(=O)(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC000832910395 601394087 /nfs/dbraw/zinc/39/40/87/601394087.db2.gz GINHPGUOPQHTPK-HNNXBMFYSA-N -1 0 378.837 3.014 20 30 GGEDRM O=C([O-])c1ccc(CNC(=O)NCC#Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000833131578 601408497 /nfs/dbraw/zinc/40/84/97/601408497.db2.gz VBJKKWBCEPUARK-UHFFFAOYSA-N -1 0 376.334 3.255 20 30 GGEDRM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC000833064755 601410811 /nfs/dbraw/zinc/41/08/11/601410811.db2.gz NFUQMZHAYZRRIF-PMACEKPBSA-N -1 0 377.444 3.409 20 30 GGEDRM O=C([O-])c1ccc(CCNC(=O)NCC#Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000833131501 601410819 /nfs/dbraw/zinc/41/08/19/601410819.db2.gz MEJUGPKJDRHGPE-UHFFFAOYSA-N -1 0 390.361 3.297 20 30 GGEDRM N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC000833064760 601410904 /nfs/dbraw/zinc/41/09/04/601410904.db2.gz NFUQMZHAYZRRIF-VQTJNVASSA-N -1 0 377.444 3.409 20 30 GGEDRM Cc1sc(NC(=O)CN(CC(=O)[O-])Cc2ccc(F)c(F)c2)c(C#N)c1C ZINC000833034041 601418875 /nfs/dbraw/zinc/41/88/75/601418875.db2.gz MJWQHBMRODDUHK-UHFFFAOYSA-N -1 0 393.415 3.040 20 30 GGEDRM N#Cc1cccc(-c2nnc(CN3C[C@H](C4CCCCC4)C[C@H]3C(=O)[O-])o2)c1 ZINC000833074063 601430866 /nfs/dbraw/zinc/43/08/66/601430866.db2.gz NQIVBDMCYGBJRN-MSOLQXFVSA-N -1 0 380.448 3.464 20 30 GGEDRM Cc1nn(-c2ccc(C(=O)N[C@H](C#N)C(C)(C)C)cc2)c(C)c1CCC(=O)[O-] ZINC000833012693 601447947 /nfs/dbraw/zinc/44/79/47/601447947.db2.gz QHELKXZVRCIODY-GOSISDBHSA-N -1 0 382.464 3.174 20 30 GGEDRM Cc1c(C(=O)[O-])c2cc(OC(=O)Cc3ccc(OCC#N)cc3)ccc2n1C ZINC000832851480 601451680 /nfs/dbraw/zinc/45/16/80/601451680.db2.gz BQNQIBNFMCUYJS-UHFFFAOYSA-N -1 0 378.384 3.235 20 30 GGEDRM N#Cc1ccc(Oc2ccc(OS(=O)(=O)c3ccc(C(=O)[O-])o3)cc2)cc1 ZINC000833071699 601478078 /nfs/dbraw/zinc/47/80/78/601478078.db2.gz NJKSIDIKLPXXBD-UHFFFAOYSA-N -1 0 385.353 3.409 20 30 GGEDRM COCCN(CCC#N)C(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC000831724959 601478069 /nfs/dbraw/zinc/47/80/69/601478069.db2.gz IGFAGEBTBKKHGR-UHFFFAOYSA-N -1 0 391.427 3.179 20 30 GGEDRM C[C@@H](NC(=O)C(=O)Nc1scc(C2CC2)c1C(=O)[O-])c1cccc(C#N)c1 ZINC000827616072 601494223 /nfs/dbraw/zinc/49/42/23/601494223.db2.gz MMCHNQKKRBUCCH-SNVBAGLBSA-N -1 0 383.429 3.011 20 30 GGEDRM Cc1cccc(NC(=O)[C@@H](C#N)C(=O)c2cc(C)c(OCC(=O)[O-])c(C)c2)c1 ZINC000832971498 601499397 /nfs/dbraw/zinc/49/93/97/601499397.db2.gz RCHGTUOQAQZAKS-KRWDZBQOSA-N -1 0 380.400 3.036 20 30 GGEDRM Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@@H](CC(=O)[O-])C2CC2)cc1C ZINC000832907973 601524995 /nfs/dbraw/zinc/52/49/95/601524995.db2.gz CNRFKVOOXLHVLY-SFHVURJKSA-N -1 0 380.448 3.064 20 30 GGEDRM N#C[C@@H](c1ccccc1)[C@H]1CCCN1Cc1nc2cc(C(=O)[O-])ccc2c(=O)[nH]1 ZINC000833065172 601540037 /nfs/dbraw/zinc/54/00/37/601540037.db2.gz UMJRLORZJHFQSU-PKOBYXMFSA-N -1 0 388.427 3.305 20 30 GGEDRM Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCc3ccccc3[C@H]2C(=O)[O-])c1 ZINC000832875719 601548117 /nfs/dbraw/zinc/54/81/17/601548117.db2.gz FHFLEGYPGNFDQC-QFIPXVFZSA-N -1 0 391.471 3.234 20 30 GGEDRM C[C@@](CO)(NC(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1)C1CC1 ZINC000827512142 601551206 /nfs/dbraw/zinc/55/12/06/601551206.db2.gz ITTLVCIIXOQBEP-QFIPXVFZSA-N -1 0 378.428 3.067 20 30 GGEDRM C[C@](NC(=O)c1cc(C#N)cs1)(C(=O)[O-])c1cccc(Br)c1 ZINC000827694412 601562853 /nfs/dbraw/zinc/56/28/53/601562853.db2.gz FHRJNFYEJMMKEV-OAHLLOKOSA-N -1 0 379.235 3.112 20 30 GGEDRM CCN([C@H](C)c1ccc(C#N)cc1)S(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1 ZINC000829602774 601571541 /nfs/dbraw/zinc/57/15/41/601571541.db2.gz ZNRCTPIVRZHWKY-LLVKDONJSA-N -1 0 394.399 3.306 20 30 GGEDRM CC(C)N(Cc1ccc(C#N)cc1)S(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1 ZINC000826951560 601574105 /nfs/dbraw/zinc/57/41/05/601574105.db2.gz MZMSGEFTXCQICM-UHFFFAOYSA-N -1 0 394.399 3.134 20 30 GGEDRM Cc1ccc(OS(=O)(=O)c2cc(Br)cc(C#N)c2)c(C(=O)[O-])c1 ZINC000832951474 601579658 /nfs/dbraw/zinc/57/96/58/601579658.db2.gz LFKCXIZJYNOSIY-UHFFFAOYSA-N -1 0 396.218 3.095 20 30 GGEDRM O=C([O-])c1cc(C(=O)NCC#Cc2ccc(C(F)(F)F)cc2)cc([N+](=O)[O-])c1 ZINC000237977530 601622167 /nfs/dbraw/zinc/62/21/67/601622167.db2.gz KVFXVSWCPFRKEM-UHFFFAOYSA-N -1 0 392.289 3.093 20 30 GGEDRM C=CCN(Cc1cc(C(=O)[O-])sc1C)S(=O)(=O)c1ccc(OC)cc1 ZINC000825681727 601628596 /nfs/dbraw/zinc/62/85/96/601628596.db2.gz FQMSPFMTUBAVFG-UHFFFAOYSA-N -1 0 381.475 3.140 20 30 GGEDRM Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCC2(C(=O)[O-])CCCC2)cc1C ZINC000832909303 601649334 /nfs/dbraw/zinc/64/93/34/601649334.db2.gz YVLNCBAOOYJJRR-UHFFFAOYSA-N -1 0 394.475 3.455 20 30 GGEDRM Cc1cc(C#N)ccc1Oc1ccc(C(=O)Nc2ccn(CC(=O)[O-])n2)cc1 ZINC000832859797 601669066 /nfs/dbraw/zinc/66/90/66/601669066.db2.gz XEXJFNXITMRTSE-UHFFFAOYSA-N -1 0 376.372 3.192 20 30 GGEDRM N#Cc1ccccc1Sc1ccccc1C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000833076919 601669561 /nfs/dbraw/zinc/66/95/61/601669561.db2.gz SGPHKGNQAFJFJD-HNNXBMFYSA-N -1 0 382.441 3.025 20 30 GGEDRM C=CCn1c2ncn(Cc3cc(C(=O)[O-])sc3C)c(=O)c2sc1=S ZINC000825705347 601672874 /nfs/dbraw/zinc/67/28/74/601672874.db2.gz CSRUTPQUUMEQKX-UHFFFAOYSA-N -1 0 379.488 3.291 20 30 GGEDRM N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000833065250 601691861 /nfs/dbraw/zinc/69/18/61/601691861.db2.gz WCUWPQFFZHWARK-RTBURBONSA-N -1 0 379.416 3.454 20 30 GGEDRM COC[C@@H]1CCCN1C(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC000831665893 601693623 /nfs/dbraw/zinc/69/36/23/601693623.db2.gz CBRZJSHNVWCVQM-FQEVSTJZSA-N -1 0 378.428 3.427 20 30 GGEDRM N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000833064087 601694935 /nfs/dbraw/zinc/69/49/35/601694935.db2.gz DZFCRUVVLYMIEZ-RBUKOAKNSA-N -1 0 379.416 3.454 20 30 GGEDRM N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1nnc(CCCC(=O)[O-])s1 ZINC000833064174 601726054 /nfs/dbraw/zinc/72/60/54/601726054.db2.gz GASAYQTZIIVHHS-CABCVRRESA-N -1 0 399.476 3.249 20 30 GGEDRM N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1nnc(CCCC(=O)[O-])s1 ZINC000833064177 601726155 /nfs/dbraw/zinc/72/61/55/601726155.db2.gz GASAYQTZIIVHHS-LSDHHAIUSA-N -1 0 399.476 3.249 20 30 GGEDRM Cc1nc(SCC(=O)N[C@H](C(=O)[O-])c2ccccc2F)c(C#N)c(C)c1C ZINC000833005354 601741738 /nfs/dbraw/zinc/74/17/38/601741738.db2.gz VMGRYOOEHBCLMN-KRWDZBQOSA-N -1 0 387.436 3.052 20 30 GGEDRM C=C[C@H](C)NC(=O)Nc1cccc(-c2c(C(=O)OC)c(C(=O)[O-])c3n2CCC3)c1 ZINC000825660167 601752750 /nfs/dbraw/zinc/75/27/50/601752750.db2.gz YFFDXAYQMNRQHN-LBPRGKRZSA-N -1 0 397.431 3.282 20 30 GGEDRM N#Cc1ccccc1OCc1ccc(C(=O)N[C@H](C(=O)[O-])C2CCCCC2)o1 ZINC000833076908 601753930 /nfs/dbraw/zinc/75/39/30/601753930.db2.gz RZALIRUQASLGST-IBGZPJMESA-N -1 0 382.416 3.494 20 30 GGEDRM N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)NCCOc1ccc(C(=O)[O-])cc1 ZINC000833063815 601774665 /nfs/dbraw/zinc/77/46/65/601774665.db2.gz BECDVBLGWNFCJQ-VQTJNVASSA-N -1 0 393.443 3.245 20 30 GGEDRM CC[C@H](CCO)CNC(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC000828874496 601778979 /nfs/dbraw/zinc/77/89/79/601778979.db2.gz JSLOMMINANNDLO-MRXNPFEDSA-N -1 0 380.444 3.315 20 30 GGEDRM COC(=O)c1cc(NCc2ccc(C#N)cc2OC(F)F)ccc1C(=O)[O-] ZINC000831322162 601787419 /nfs/dbraw/zinc/78/74/19/601787419.db2.gz CEHFQHFBOINKBM-UHFFFAOYSA-N -1 0 376.315 3.257 20 30 GGEDRM C[C@H]1CN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)C[C@@H]1C(=O)[O-] ZINC000828379196 601791675 /nfs/dbraw/zinc/79/16/75/601791675.db2.gz XRMAYMITDUNKQM-GUYCJALGSA-N -1 0 397.406 3.461 20 30 GGEDRM CC(C)c1ccc(OCC2N=NC(=S)N2N=Cc2c[nH]c(C(=O)[O-])c2)cc1 ZINC000814776091 601796792 /nfs/dbraw/zinc/79/67/92/601796792.db2.gz JSAFPUCERRVMHG-UHFFFAOYSA-N -1 0 385.449 3.178 20 30 GGEDRM C=CCn1c(-c2ccc(F)cc2)nn(CN2C[C@H](C)[C@@H](C(=O)[O-])C2)c1=S ZINC000825705636 601811986 /nfs/dbraw/zinc/81/19/86/601811986.db2.gz PPNZWUNNQQMMMV-WFASDCNBSA-N -1 0 376.457 3.016 20 30 GGEDRM C=CCn1c(-c2ccc(F)cc2)nn(CN2C[C@H](C)[C@H](C(=O)[O-])C2)c1=S ZINC000825705635 601812080 /nfs/dbraw/zinc/81/20/80/601812080.db2.gz PPNZWUNNQQMMMV-SWLSCSKDSA-N -1 0 376.457 3.016 20 30 GGEDRM C=CCn1c(-c2ccccc2F)nn(CN2C[C@H](C(=O)[O-])[C@H](C)C2)c1=S ZINC000825705717 601817008 /nfs/dbraw/zinc/81/70/08/601817008.db2.gz RMTATPJNUFWULP-OCCSQVGLSA-N -1 0 376.457 3.016 20 30 GGEDRM C=CCn1c(-c2ccccc2F)nn(CN2C[C@H](C)[C@@H](C(=O)[O-])C2)c1=S ZINC000825705715 601817088 /nfs/dbraw/zinc/81/70/88/601817088.db2.gz RMTATPJNUFWULP-JSGCOSHPSA-N -1 0 376.457 3.016 20 30 GGEDRM C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000663128837 601818583 /nfs/dbraw/zinc/81/85/83/601818583.db2.gz MVADFIPWDAONRO-UHFFFAOYSA-N -1 0 383.448 3.154 20 30 GGEDRM CC(C)Cc1ccc([C@@H]2NC(=S)NC(C(=O)[O-])=C2C(=O)c2cccnc2)cc1 ZINC000826913133 601824876 /nfs/dbraw/zinc/82/48/76/601824876.db2.gz OOWVNUGJHDOFMM-KRWDZBQOSA-N -1 0 395.484 3.021 20 30 GGEDRM CC(C)Cc1ccc([C@@H]2NC(=S)NC(C(=O)[O-])=C2C(=O)c2ccncc2)cc1 ZINC000826912572 601825293 /nfs/dbraw/zinc/82/52/93/601825293.db2.gz BVCYZBALMCVXEV-KRWDZBQOSA-N -1 0 395.484 3.021 20 30 GGEDRM C#Cc1cccc(N(Cc2ccccc2)S(=O)(=O)c2csnc2C(=O)[O-])c1 ZINC000825636669 601840924 /nfs/dbraw/zinc/84/09/24/601840924.db2.gz PFXGVXOYDLPAFU-UHFFFAOYSA-N -1 0 398.465 3.218 20 30 GGEDRM C[C@H](CC[S@@](C)=O)NC(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC000827422173 601844395 /nfs/dbraw/zinc/84/43/95/601844395.db2.gz OFDMGHGAAWJPQN-WQIZZMQYSA-N -1 0 398.484 3.063 20 30 GGEDRM C=CCn1c2nnc(SCc3ccc(C(=O)[O-])s3)n2c2ccccc2c1=O ZINC000825705839 601844862 /nfs/dbraw/zinc/84/48/62/601844862.db2.gz UAZJDLDEVUYADT-UHFFFAOYSA-N -1 0 398.469 3.282 20 30 GGEDRM O=C([O-])c1c(F)cccc1S(=O)(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000833295288 601848134 /nfs/dbraw/zinc/84/81/34/601848134.db2.gz USYLNENHOPKQGL-UHFFFAOYSA-N -1 0 396.399 3.120 20 30 GGEDRM O=C([O-])C1=C(C(=O)c2cccs2)[C@H](c2cccc(Cl)c2F)NC(=S)N1 ZINC000833177395 601854867 /nfs/dbraw/zinc/85/48/67/601854867.db2.gz NGDBPBUZNPWUMS-LBPRGKRZSA-N -1 0 396.852 3.281 20 30 GGEDRM N#CCCCOc1cccc(NS(=O)(=O)c2cccc(F)c2C(=O)[O-])c1 ZINC000833066263 601860349 /nfs/dbraw/zinc/86/03/49/601860349.db2.gz ZVPXJFVQUHNXLU-UHFFFAOYSA-N -1 0 378.381 3.007 20 30 GGEDRM Cc1ccc(N(CCC#N)C(=O)CN(C)[C@@H](C(=O)[O-])c2ccccc2)cc1C ZINC000832935607 601863674 /nfs/dbraw/zinc/86/36/74/601863674.db2.gz OWGOBAUGUCZLDO-OAQYLSRUSA-N -1 0 379.460 3.308 20 30 GGEDRM COc1ccc(NCC(=O)N(CCC#N)c2cccc(Cl)c2)c(C(=O)[O-])c1 ZINC000832413228 601908123 /nfs/dbraw/zinc/90/81/23/601908123.db2.gz KUNYTGUKVABBMD-UHFFFAOYSA-N -1 0 387.823 3.406 20 30 GGEDRM O=C([O-])c1cccc(C#Cc2cccc(NC(=O)N(CCCO)C3CC3)c2)c1 ZINC000833327267 601948912 /nfs/dbraw/zinc/94/89/12/601948912.db2.gz DHCNZPMGBPDMQB-UHFFFAOYSA-N -1 0 378.428 3.163 20 30 GGEDRM C[C@@](C#N)(NC(=O)CNc1cc(C(=O)[O-])ccc1OCc1ccccc1)C1CC1 ZINC000825967711 601963463 /nfs/dbraw/zinc/96/34/63/601963463.db2.gz ZEIHZOIODFKGDI-QFIPXVFZSA-N -1 0 393.443 3.184 20 30 GGEDRM C#CCCSc1nc2cc(C(=O)[O-])ccc2c(=O)n1CCc1ccccc1 ZINC000825608540 601990289 /nfs/dbraw/zinc/99/02/89/601990289.db2.gz BIEKKRJAGHSRSZ-UHFFFAOYSA-N -1 0 378.453 3.453 20 30 GGEDRM C#CCOc1ccc(C(=O)N(C)[C@@H](C(=O)[O-])c2cc(F)c(F)c(F)c2)cc1 ZINC000825625793 602000124 /nfs/dbraw/zinc/00/01/24/602000124.db2.gz NKHMQPBKXYVVQC-QGZVFWFLSA-N -1 0 377.318 3.014 20 30 GGEDRM Cc1nc(SCC(=O)OCc2ccc(C(=O)[O-])s2)c(C#N)c(C)c1C ZINC000833005050 602000904 /nfs/dbraw/zinc/00/09/04/602000904.db2.gz PNMPJYYSXGPVLN-UHFFFAOYSA-N -1 0 376.459 3.474 20 30 GGEDRM Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CC[C@](C)(C(=O)[O-])C2)cc1C ZINC000832909263 602001506 /nfs/dbraw/zinc/00/15/06/602001506.db2.gz YIZXVFHMTUAXTF-NRFANRHFSA-N -1 0 380.448 3.017 20 30 GGEDRM Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CC[C@@](C)(C(=O)[O-])C2)cc1C ZINC000832909265 602001677 /nfs/dbraw/zinc/00/16/77/602001677.db2.gz YIZXVFHMTUAXTF-OAQYLSRUSA-N -1 0 380.448 3.017 20 30 GGEDRM N#C[C@@H](C(=O)Nc1ccccn1)C(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000833062407 602033547 /nfs/dbraw/zinc/03/35/47/602033547.db2.gz BHLOIGVBSDKFNG-GFCCVEGCSA-N -1 0 392.293 3.151 20 30 GGEDRM C[C@H](Oc1ccc(C=NN2C(=O)c3cccc4cccc(c43)C2=O)cc1)C(=O)[O-] ZINC000794865713 602068312 /nfs/dbraw/zinc/06/83/12/602068312.db2.gz TYOIVZUEPYOGQZ-ZDUSSCGKSA-N -1 0 388.379 3.322 20 30 GGEDRM Cc1ccccc1C1N=NC(=S)N1N=Cc1ccc(O[C@@H](C)C(=O)[O-])cc1 ZINC000794877587 602069541 /nfs/dbraw/zinc/06/95/41/602069541.db2.gz IXVRDZCTWUPGSV-ZDUSSCGKSA-N -1 0 382.445 3.276 20 30 GGEDRM C[C@@H](Oc1ccc(C=NNCc2ccc(Br)cc2)cc1)C(=O)[O-] ZINC000794901305 602073958 /nfs/dbraw/zinc/07/39/58/602073958.db2.gz CZFAMZUEXXIKRD-GFCCVEGCSA-N -1 0 377.238 3.425 20 30 GGEDRM N#Cc1ccccc1N1CCCN(C(=O)NCCCCCCCC(=O)[O-])CC1 ZINC000833075478 602093840 /nfs/dbraw/zinc/09/38/40/602093840.db2.gz SCVPXTMNYMZUOU-UHFFFAOYSA-N -1 0 386.496 3.205 20 30 GGEDRM COc1cc(C(=O)/C=C\c2ccc(O[C@H](C)C(=O)[O-])cc2)cc(OC)c1OC ZINC000794692882 602105696 /nfs/dbraw/zinc/10/56/96/602105696.db2.gz YHXRLRNCBDCURW-PGJNLMOESA-N -1 0 386.400 3.460 20 30 GGEDRM C[C@@H](Oc1ccc(/C=C\C(=O)c2ccc(N3CCOCC3)c(F)c2)cc1)C(=O)[O-] ZINC000794697159 602107966 /nfs/dbraw/zinc/10/79/66/602107966.db2.gz JSLPYBGBWKHPLH-KHSJVXASSA-N -1 0 399.418 3.410 20 30 GGEDRM C[C@H](Oc1ccc(/C=C\C(=O)c2ccc(N3CCOCC3)c(F)c2)cc1)C(=O)[O-] ZINC000794697160 602108143 /nfs/dbraw/zinc/10/81/43/602108143.db2.gz JSLPYBGBWKHPLH-NOKKCYSASA-N -1 0 399.418 3.410 20 30 GGEDRM CC(=O)C1=C(C(=O)[O-])N(Cc2ccccc2)C(=O)N[C@H]1c1cnc(Cl)c(C)c1 ZINC000825813197 602108940 /nfs/dbraw/zinc/10/89/40/602108940.db2.gz IJCHJZKJSNMBQO-INIZCTEOSA-N -1 0 399.834 3.238 20 30 GGEDRM C[C@H](Oc1ccc(/C=C/C(=O)c2ccc(N3CCOC3=O)cc2)cc1)C(=O)[O-] ZINC000794707775 602109520 /nfs/dbraw/zinc/10/95/20/602109520.db2.gz NCCLBLYKXIIAOX-BJTBTHHMSA-N -1 0 381.384 3.391 20 30 GGEDRM Cc1c(C(=O)/C=C\c2ccc(O[C@@H](C)C(=O)[O-])cc2)nnn1-c1ccc(F)cc1 ZINC000832848577 602110178 /nfs/dbraw/zinc/11/01/78/602110178.db2.gz HPDOASOWMXDAMX-VDFGQWLZSA-N -1 0 395.390 3.463 20 30 GGEDRM Cc1c(C(=O)/C=C\c2ccc(O[C@@H](C)C(=O)[O-])cc2)cnn1-c1ccccn1 ZINC000832848392 602113251 /nfs/dbraw/zinc/11/32/51/602113251.db2.gz BVMQGWRTXJGFSX-QIENPNARSA-N -1 0 377.400 3.324 20 30 GGEDRM N#Cc1c(NC(=O)c2cc(NC(=O)[O-])cc(C(F)(F)F)c2)nc2n1CCS2 ZINC000833068143 602125052 /nfs/dbraw/zinc/12/50/52/602125052.db2.gz OXMJPPJQQPJGTN-UHFFFAOYSA-N -1 0 397.338 3.221 20 30 GGEDRM N#Cc1ccnc(NC[C@H](Cc2ccc3ccccc3c2)C(=O)[O-])c1[N+](=O)[O-] ZINC000833076741 602130342 /nfs/dbraw/zinc/13/03/42/602130342.db2.gz OIVLNBOUSLEJAE-KRWDZBQOSA-N -1 0 376.372 3.370 20 30 GGEDRM N#Cc1ccnc(NC[C@@H](Cc2cccc3ccccc32)C(=O)[O-])c1[N+](=O)[O-] ZINC000833076752 602130503 /nfs/dbraw/zinc/13/05/03/602130503.db2.gz OLICADNOICQJOH-MRXNPFEDSA-N -1 0 376.372 3.370 20 30 GGEDRM C=CCn1c(-c2ccccn2)nn(CN(C)Cc2cc(C(=O)[O-])c(C)o2)c1=S ZINC000825705407 602186558 /nfs/dbraw/zinc/18/65/58/602186558.db2.gz GKWGBKJSSAIODT-UHFFFAOYSA-N -1 0 399.476 3.351 20 30 GGEDRM C=CCn1c(-c2cccc(Cl)c2)nn(CN2CCN(C(=O)[O-])CC2)c1=S ZINC000825705693 602189667 /nfs/dbraw/zinc/18/96/67/602189667.db2.gz RIRFJMAIVPVVKD-UHFFFAOYSA-N -1 0 393.900 3.174 20 30 GGEDRM C=CCOc1ccc(-c2nn(CN3CCC[C@@H](C(=O)[O-])C3)c(=S)o2)cc1 ZINC000825699103 602193133 /nfs/dbraw/zinc/19/31/33/602193133.db2.gz RNHTVIJVOJUWTJ-CQSZACIVSA-N -1 0 375.450 3.191 20 30 GGEDRM CC(C)(C(=O)[O-])[C@@H](NS(=O)(=O)c1ccc(Cl)c(C#N)c1)c1ccccc1 ZINC000826105943 602216429 /nfs/dbraw/zinc/21/64/29/602216429.db2.gz NFTSHWVKBRMYKG-INIZCTEOSA-N -1 0 392.864 3.342 20 30 GGEDRM N#Cc1cnc2ccccc2c1OCCOC(=O)c1cccc(NC(=O)[O-])c1 ZINC000739146034 602229467 /nfs/dbraw/zinc/22/94/67/602229467.db2.gz YVZVSXPOFXTBNJ-UHFFFAOYSA-N -1 0 377.356 3.432 20 30 GGEDRM CC(C)c1ncc([C@@H]2NC(=S)NC(C(=O)[O-])=C2C(=O)c2ccccc2)s1 ZINC000827158234 602232089 /nfs/dbraw/zinc/23/20/89/602232089.db2.gz CVRLKDPJLGNULP-ZDUSSCGKSA-N -1 0 387.486 3.007 20 30 GGEDRM CC(C)c1ncc([C@H]2NC(=S)NC(C(=O)[O-])=C2C(=O)c2cccs2)s1 ZINC000827159128 602232139 /nfs/dbraw/zinc/23/21/39/602232139.db2.gz XYVNOXGASCQROR-LLVKDONJSA-N -1 0 393.515 3.068 20 30 GGEDRM O=C([O-])C1=C(C(=O)c2cccnc2)[C@@H](c2cc3ccccc3s2)NC(=S)N1 ZINC000833176915 602233806 /nfs/dbraw/zinc/23/38/06/602233806.db2.gz JPBDQYSBNHOZDV-OAHLLOKOSA-N -1 0 395.465 3.037 20 30 GGEDRM Cc1cccc(C[C@@H](CNC(=O)C(C)(C)Oc2ccc(C#N)cc2)C(=O)[O-])c1 ZINC000832968313 602248218 /nfs/dbraw/zinc/24/82/18/602248218.db2.gz BYERZZSFALNZSW-SFHVURJKSA-N -1 0 380.444 3.084 20 30 GGEDRM Cc1cc(C(=O)[O-])c2sc(NC(=O)C(C)(C)Oc3ccc(C#N)cc3)nc2n1 ZINC000832867005 602253605 /nfs/dbraw/zinc/25/36/05/602253605.db2.gz IZGIHZIORVZRAE-UHFFFAOYSA-N -1 0 396.428 3.366 20 30 GGEDRM COc1ccc([C@H](CC(=O)[O-])NC(=O)Nc2ccc(F)cc2OCC#N)cc1 ZINC000832230438 602282613 /nfs/dbraw/zinc/28/26/13/602282613.db2.gz AUMXLAITTFZQDG-INIZCTEOSA-N -1 0 387.367 3.074 20 30 GGEDRM Cc1cccc(C[C@H](CNC(=O)Nc2ccc(F)cc2OCC#N)C(=O)[O-])c1 ZINC000832970019 602282661 /nfs/dbraw/zinc/28/26/61/602282661.db2.gz RJCHVQDOUDLJLR-OAHLLOKOSA-N -1 0 385.395 3.102 20 30 GGEDRM CN1C(=O)N[C@@H](c2ccccc2)C(C(=O)[O-])=C1CSc1cccc(C#N)c1 ZINC000830908642 602289839 /nfs/dbraw/zinc/28/98/39/602289839.db2.gz YTOWLHFEPSDBNN-SFHVURJKSA-N -1 0 379.441 3.385 20 30 GGEDRM COC[C@@](C)(CC(=O)[O-])NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000831559729 602294721 /nfs/dbraw/zinc/29/47/21/602294721.db2.gz XJDFOIVWIXPYTQ-HXUWFJFHSA-N -1 0 383.404 3.352 20 30 GGEDRM Cc1cc(N2CCCN(c3ccccc3C#N)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832891387 602313920 /nfs/dbraw/zinc/31/39/20/602313920.db2.gz SLDIKFYBCRXUSO-UHFFFAOYSA-N -1 0 380.404 3.190 20 30 GGEDRM COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])N(Cc1cc(F)ccc1C#N)CC2 ZINC000832103756 602325451 /nfs/dbraw/zinc/32/54/51/602325451.db2.gz ZHNDLMOOSRMXQS-GOSISDBHSA-N -1 0 384.407 3.289 20 30 GGEDRM COc1cc2c(cc1OC)[C@H](CC(=O)[O-])N(Cc1cc(F)ccc1C#N)CC2 ZINC000832103761 602325522 /nfs/dbraw/zinc/32/55/22/602325522.db2.gz ZHNDLMOOSRMXQS-SFHVURJKSA-N -1 0 384.407 3.289 20 30 GGEDRM CN(C(=O)c1ccc(COc2ccccc2C#N)o1)c1ncc(C(=O)[O-])s1 ZINC000830529030 602330856 /nfs/dbraw/zinc/33/08/56/602330856.db2.gz XFWJLJKGXSVSCN-UHFFFAOYSA-N -1 0 383.385 3.162 20 30 GGEDRM C[C@@H](CC#N)Sc1ccccc1NC(=O)CN(CC(=O)[O-])C1CCCC1 ZINC000827219308 602331786 /nfs/dbraw/zinc/33/17/86/602331786.db2.gz YLQDGZBDZYHOOL-AWEZNQCLSA-N -1 0 375.494 3.349 20 30 GGEDRM C[C@@H](C#N)CSc1ccccc1NC(=O)CN(CC(=O)[O-])C1CCCC1 ZINC000825967371 602335509 /nfs/dbraw/zinc/33/55/09/602335509.db2.gz URJZYZUUCOFUFH-AWEZNQCLSA-N -1 0 375.494 3.206 20 30 GGEDRM O=C([O-])c1cccc(C#Cc2cccc(NC(=O)N[C@H]3CC[C@H](CO)CC3)c2)c1 ZINC000833159801 602351975 /nfs/dbraw/zinc/35/19/75/602351975.db2.gz JCRSRYGAGWBPDD-KESTWPANSA-N -1 0 392.455 3.457 20 30 GGEDRM C[C@@H](OC(=O)c1cccc(NC(=O)[O-])c1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000736699758 602672653 /nfs/dbraw/zinc/67/26/53/602672653.db2.gz VAEZLEHJFNRRTG-SNVBAGLBSA-N -1 0 387.779 3.486 20 30 GGEDRM N#Cc1c(F)cccc1Oc1ccc(C(=O)NC2CCN(C(=O)[O-])CC2)cc1 ZINC000738425206 602731172 /nfs/dbraw/zinc/73/11/72/602731172.db2.gz KKCCMPYBVSZIJD-UHFFFAOYSA-N -1 0 383.379 3.362 20 30 GGEDRM CC[C@@H](C#N)Oc1cc(CNC(=O)c2ccc(NC(=O)[O-])cc2)ccc1OC ZINC000736849877 602842853 /nfs/dbraw/zinc/84/28/53/602842853.db2.gz YDIMJTLLTRPWJO-INIZCTEOSA-N -1 0 383.404 3.396 20 30 GGEDRM N#Cc1ccc(-c2cccc(CNC(=O)N[C@H]3CCCN(C(=O)[O-])C3)c2)s1 ZINC000739099264 603098637 /nfs/dbraw/zinc/09/86/37/603098637.db2.gz RRZCINKVMHOPOD-HNNXBMFYSA-N -1 0 384.461 3.228 20 30 GGEDRM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000831070734 603721792 /nfs/dbraw/zinc/72/17/92/603721792.db2.gz QWRRFYIEZMOZQI-ROUUACIJSA-N -1 0 392.415 3.013 20 30 GGEDRM N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000831070732 603721925 /nfs/dbraw/zinc/72/19/25/603721925.db2.gz QWRRFYIEZMOZQI-MSOLQXFVSA-N -1 0 392.415 3.013 20 30 GGEDRM N#Cc1ccccc1N1CCN(c2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000833075068 604264046 /nfs/dbraw/zinc/26/40/46/604264046.db2.gz KOGJMZNQQKRELF-UHFFFAOYSA-N -1 0 386.795 3.145 20 30 GGEDRM N#Cc1c(Cl)nsc1N1CCN([C@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC000833069345 604275673 /nfs/dbraw/zinc/27/56/73/604275673.db2.gz TUNBJVBDRPLZDK-ZDUSSCGKSA-N -1 0 397.287 3.269 20 30 GGEDRM N#C[C@@H](NC(=O)c1ccc(C(=O)[O-])c(F)c1)c1cccc(Br)c1 ZINC000833064823 604301221 /nfs/dbraw/zinc/30/12/21/604301221.db2.gz NUIGNDCUQKYZTH-CQSZACIVSA-N -1 0 377.169 3.281 20 30 GGEDRM N#C[C@H](NC(=O)c1ccc(C(=O)[O-])c(F)c1)c1ccc(OC(F)(F)F)cc1 ZINC000833065344 604311900 /nfs/dbraw/zinc/31/19/00/604311900.db2.gz YVHYRRJZLTYFFL-AWEZNQCLSA-N -1 0 382.269 3.417 20 30 GGEDRM N#C[C@@H](NC(=O)c1ccc(C(=O)[O-])c(F)c1)c1ccccc1Br ZINC000833064604 604315835 /nfs/dbraw/zinc/31/58/35/604315835.db2.gz LOZVUXSNWOKGPW-CQSZACIVSA-N -1 0 377.169 3.281 20 30 GGEDRM Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2ccc(C(=O)[O-])c(F)c2)c1C ZINC000833010891 604319859 /nfs/dbraw/zinc/31/98/59/604319859.db2.gz ZUULUAYJBSUTPH-UHFFFAOYSA-N -1 0 378.363 3.450 20 30 GGEDRM N#CC1(C(=O)N2CCN([C@@H](C(=O)[O-])c3cccc(Cl)c3)CC2)CCCCC1 ZINC000833064643 604343314 /nfs/dbraw/zinc/34/33/14/604343314.db2.gz MEESPKXTRWXNEV-QGZVFWFLSA-N -1 0 389.883 3.084 20 30 GGEDRM C=CCOc1cn(-c2ccccc2)nc1C(=O)Nc1nc(CCC(=O)[O-])cs1 ZINC000825702720 604343604 /nfs/dbraw/zinc/34/36/04/604343604.db2.gz WXFCUOONRXGGAD-UHFFFAOYSA-N -1 0 398.444 3.163 20 30 GGEDRM N#CCOc1ccc(CN2CCN([C@H](C(=O)[O-])c3cccc(Cl)c3)CC2)cc1 ZINC000833067560 604358393 /nfs/dbraw/zinc/35/83/93/604358393.db2.gz GCBUCYVQUVQXJW-FQEVSTJZSA-N -1 0 399.878 3.186 20 30 GGEDRM Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000833016188 604390481 /nfs/dbraw/zinc/39/04/81/604390481.db2.gz QVKHGJPDQZFERA-FQEVSTJZSA-N -1 0 396.491 3.315 20 30 GGEDRM Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000832842814 604391436 /nfs/dbraw/zinc/39/14/36/604391436.db2.gz KKZLCOWNHSWAAH-IBGZPJMESA-N -1 0 395.459 3.177 20 30 GGEDRM COc1cc(C#N)cc(Br)c1OC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000831861496 604392963 /nfs/dbraw/zinc/39/29/63/604392963.db2.gz ZCTGTEVASFRXKL-GHMZBOCLSA-N -1 0 382.210 3.126 20 30 GGEDRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C ZINC000829028713 604428362 /nfs/dbraw/zinc/42/83/62/604428362.db2.gz XJGAPHGROXHDQQ-LJQANCHMSA-N -1 0 395.459 3.273 20 30 GGEDRM N#Cc1cccc([C@@H](OC(=O)c2cccc(OCC(F)(F)F)c2)C(=O)[O-])c1 ZINC000833077165 604434952 /nfs/dbraw/zinc/43/49/52/604434952.db2.gz LZXUPGXEIBJBJJ-OAHLLOKOSA-N -1 0 379.290 3.482 20 30 GGEDRM CC(C)OC[C@@H](C(=O)[O-])N(C)C(=O)c1cccc(COc2ccccc2C#N)c1 ZINC000827011565 604436795 /nfs/dbraw/zinc/43/67/95/604436795.db2.gz PGZAACDYOGAZRY-IBGZPJMESA-N -1 0 396.443 3.087 20 30 GGEDRM CC(C)OC[C@H](C(=O)[O-])N(C)C(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC000827012217 604439284 /nfs/dbraw/zinc/43/92/84/604439284.db2.gz WPMNYADKFDGASH-HXUWFJFHSA-N -1 0 396.443 3.087 20 30 GGEDRM N#Cc1ccc(Oc2ccc(NC(=O)NC3CN(C(=O)[O-])C3)cc2Cl)cc1 ZINC000833072027 604450783 /nfs/dbraw/zinc/45/07/83/604450783.db2.gz UIXFTHSQZSCGSK-UHFFFAOYSA-N -1 0 386.795 3.488 20 30 GGEDRM CN(CC(=O)Nc1sc2c(c1C#N)CCCCC2)C1(C(=O)[O-])CCCC1 ZINC000830683886 604462158 /nfs/dbraw/zinc/46/21/58/604462158.db2.gz PGCUGBYVMVBWNY-UHFFFAOYSA-N -1 0 375.494 3.156 20 30 GGEDRM Cc1ccc(C(=O)C2=C(C(=O)[O-])NC(=S)N[C@@H]2c2cscc2Cl)cc1 ZINC000832911284 604472220 /nfs/dbraw/zinc/47/22/20/604472220.db2.gz LGVNLDRJOSFUHP-CYBMUJFWSA-N -1 0 392.889 3.450 20 30 GGEDRM O=C([O-])C1=C(C(=O)c2ccc(F)cc2)[C@H](c2cscc2Cl)NC(=S)N1 ZINC000833177875 604472365 /nfs/dbraw/zinc/47/23/65/604472365.db2.gz SGCPNAKZAIBFTQ-LBPRGKRZSA-N -1 0 396.852 3.281 20 30 GGEDRM Cc1cc(CN2CCN([C@H](C#N)c3ccccc3)CC2)cc(C)c1OCC(=O)[O-] ZINC000832883743 604474213 /nfs/dbraw/zinc/47/42/13/604474213.db2.gz YZBVGNGBVBFPFQ-OAQYLSRUSA-N -1 0 393.487 3.149 20 30 GGEDRM COC(=O)[C@H](c1cccc(C(=O)[O-])c1)N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000833700833 604476391 /nfs/dbraw/zinc/47/63/91/604476391.db2.gz FVTOZLRPTWOFND-FQEVSTJZSA-N -1 0 394.427 3.014 20 30 GGEDRM C[C@@H](C(=O)NCc1ccc(C(=O)[O-])cc1)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000833405954 604491913 /nfs/dbraw/zinc/49/19/13/604491913.db2.gz ZMWJLYGZEUKMQW-INIZCTEOSA-N -1 0 389.455 3.050 20 30 GGEDRM CC(C)(C(=O)[O-])[C@@H](NC(=O)NCc1ccc(OCC#N)cc1)c1ccccc1 ZINC000826102765 604492199 /nfs/dbraw/zinc/49/21/99/604492199.db2.gz IAXGYMUXCSMGTE-SFHVURJKSA-N -1 0 381.432 3.240 20 30 GGEDRM 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607036001 /nfs/dbraw/zinc/03/60/01/607036001.db2.gz KAOKOOPVUFBIBQ-UHFFFAOYSA-N -1 0 382.472 3.444 20 30 GGEDRM CCCCc1nc(Cl)c(CN=Nc2oc(C(C)C)nc2-c2nnn[n-]2)[nH]1 ZINC000825296396 607887963 /nfs/dbraw/zinc/88/79/63/607887963.db2.gz HCUPCUKVWYLVMH-UHFFFAOYSA-N -1 0 377.840 3.143 20 30 GGEDRM CC(N=Nc1oc(C(C)(C)C)nc1-c1nnn[n-]1)c1nc2c(s1)CCCC2 ZINC000823961898 608053676 /nfs/dbraw/zinc/05/36/76/608053676.db2.gz BMHDHQOLSYSCBE-UHFFFAOYSA-N -1 0 386.485 3.324 20 30 GGEDRM Cc1nc(-c2nnn[n-]2)c(N=NCc2cccc(OCc3ccc(F)cc3)c2)o1 ZINC000826323072 608319047 /nfs/dbraw/zinc/31/90/47/608319047.db2.gz OPNPVRIKUYGWBM-UHFFFAOYSA-N -1 0 393.382 3.327 20 30 GGEDRM Cc1[nH]c2ccc(F)cc2c1CN=Nc1oc(CC(C)C)nc1-c1nnn[n-]1 ZINC000826233370 609449348 /nfs/dbraw/zinc/44/93/48/609449348.db2.gz DZTHZNWREGHKSZ-UHFFFAOYSA-N -1 0 382.403 3.428 20 30 GGEDRM Clc1cc(NN=Cc2cnc([C@H]3CCCO3)s2)ccc1-c1nn[nH]n1 ZINC000826351351 609471502 /nfs/dbraw/zinc/47/15/02/609471502.db2.gz JHSDGTHIKOWFBQ-CYBMUJFWSA-N -1 0 375.845 3.274 20 30 GGEDRM CC(C)C(=O)NCC/N=C/c1cc(Br)cc(Br)c1[O-] ZINC000025258517 1399781517 /nfs/dbraw/zinc/78/15/17/1399781517.db2.gz QAZRGVKQXHXIOL-FRKPEAEDSA-N -1 0 392.091 3.108 20 30 GGEDRM O=C([N-]S(=O)(=O)c1ccc(Cl)cc1F)c1cncc(Br)c1 ZINC000064690917 1408596787 /nfs/dbraw/zinc/59/67/87/1408596787.db2.gz YIWYPXDLJPRTJH-UHFFFAOYSA-N -1 0 393.621 3.330 20 30 GGEDRM O=C(CN1CCCCCCC1=O)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000054422197 1406729491 /nfs/dbraw/zinc/72/94/91/1406729491.db2.gz RUWUKKCCGDFTNQ-UHFFFAOYSA-N -1 0 393.292 3.431 20 30 GGEDRM Cc1nc(-c2ncccn2)sc1C(=O)[N-]S(=O)(=O)C=Cc1ccccc1 ZINC000054426979 1406731678 /nfs/dbraw/zinc/73/16/78/1406731678.db2.gz NTOAVQRPAKMKDJ-DHZHZOJOSA-N -1 0 386.458 3.214 20 30 GGEDRM CCC(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000054428888 1406733190 /nfs/dbraw/zinc/73/31/90/1406733190.db2.gz MONODPMNXUSYAS-JTQLQIEISA-N -1 0 393.292 3.287 20 30 GGEDRM O=C(C/N=C/c1cc([N+](=O)[O-])ccc1[O-])Nc1ccc(Br)cc1 ZINC000054892554 1406844714 /nfs/dbraw/zinc/84/47/14/1406844714.db2.gz AYKVOAWKBJJINJ-CAOOACKPSA-N -1 0 378.182 3.121 20 30 GGEDRM C=CCn1c(=O)c2ccc(C(=O)NCc3ccccc3OC)cc2[n-]c1=S ZINC000003631283 1398375106 /nfs/dbraw/zinc/37/51/06/1398375106.db2.gz PYEVQQFYDHILGC-UHFFFAOYSA-N -1 0 381.457 3.184 20 30 GGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)CCC(=O)c2ccc(Cl)cc2)n1 ZINC000007780440 1398743620 /nfs/dbraw/zinc/74/36/20/1398743620.db2.gz GYMCEAOWIHDYEQ-CQSZACIVSA-N -1 0 390.848 3.488 20 30 GGEDRM C=CCn1c(=O)c2ccc(C(=O)Nc3nc4c(s3)CCCC4)cc2[n-]c1=S ZINC000010193705 1398879449 /nfs/dbraw/zinc/87/94/49/1398879449.db2.gz HGYMHCJDBUEKFZ-UHFFFAOYSA-N -1 0 398.513 3.459 20 30 GGEDRM C=CCn1c(=O)c2ccc(C(=O)Nc3ccc4[nH]c(C)nc4c3)cc2[n-]c1=S ZINC000010657066 1398908754 /nfs/dbraw/zinc/90/87/54/1398908754.db2.gz IPZVSZFUIJHTCJ-UHFFFAOYSA-N -1 0 391.456 3.308 20 30 GGEDRM CCOC(=O)Nc1ccc(C(=O)OCC([O-])=C(C#N)c2nc(C)cs2)cc1 ZINC000010703499 1398912408 /nfs/dbraw/zinc/91/24/08/1398912408.db2.gz JYUBVEGPVQWTKE-CQSZACIVSA-N -1 0 387.417 3.053 20 30 GGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2cc3ccc(F)cc3nc2C)n1 ZINC000010924960 1398932188 /nfs/dbraw/zinc/93/21/88/1398932188.db2.gz XNLIBJSAQAIEPL-HNNXBMFYSA-N -1 0 383.404 3.481 20 30 GGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)Cc2ccc(C(F)(F)F)cc2)n1 ZINC000011070013 1398947805 /nfs/dbraw/zinc/94/78/05/1398947805.db2.gz MPGWKYBQLOMGAT-CYBMUJFWSA-N -1 0 382.363 3.433 20 30 GGEDRM Cc1ccccc1/C=C/C(=O)c1ccc(S(=O)(=O)NCCCC(=O)[O-])cc1 ZINC000012758951 1399058429 /nfs/dbraw/zinc/05/84/29/1399058429.db2.gz JXWKQRQLZVKEDU-JLHYYAGUSA-N -1 0 387.457 3.034 20 30 GGEDRM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)c1 ZINC000055555933 1406999755 /nfs/dbraw/zinc/99/97/55/1406999755.db2.gz VVUHUGRMBBRTBT-UHFFFAOYSA-N -1 0 386.351 3.395 20 30 GGEDRM COc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)cc1OC ZINC000055555402 1407000016 /nfs/dbraw/zinc/00/00/16/1407000016.db2.gz IYQNYQSFTQNAJU-UHFFFAOYSA-N -1 0 386.351 3.395 20 30 GGEDRM O=C([O-])CCNS(=O)(=O)c1cccc(C(=O)/C=C/c2ccc(Cl)s2)c1 ZINC000014178975 1399091577 /nfs/dbraw/zinc/09/15/77/1399091577.db2.gz OVPAHKCUYRBGIB-GQCTYLIASA-N -1 0 399.877 3.051 20 30 GGEDRM CSc1ccc([N+](=O)[O-])c(C(=O)OCC([O-])=C(C#N)c2nc(C)cs2)c1 ZINC000016196982 1399221044 /nfs/dbraw/zinc/22/10/44/1399221044.db2.gz JPCGTTQKGBUJME-LBPRGKRZSA-N -1 0 391.430 3.115 20 30 GGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2cc(Cl)cc(Cl)c2N)n1 ZINC000016206937 1399221414 /nfs/dbraw/zinc/22/14/14/1399221414.db2.gz LKGQYAALAKWYRX-JTQLQIEISA-N -1 0 384.244 3.374 20 30 GGEDRM CS(=O)(=O)[N-]c1cc2ccccc2cc1C(=O)OCc1ccc(C#N)cc1 ZINC000016415104 1399238802 /nfs/dbraw/zinc/23/88/02/1399238802.db2.gz XTZAHVUDOPXGGT-UHFFFAOYSA-N -1 0 380.425 3.440 20 30 GGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)[C@H](C)Oc2cccc(Cl)c2)n1 ZINC000017146386 1399274411 /nfs/dbraw/zinc/27/44/11/1399274411.db2.gz LQSLBYASPHHFQY-FZMZJTMJSA-N -1 0 378.837 3.292 20 30 GGEDRM N#Cc1cccnc1Oc1ccccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000055591969 1407016677 /nfs/dbraw/zinc/01/66/77/1407016677.db2.gz RMQWKHPDAKJVAC-UHFFFAOYSA-N -1 0 396.384 3.455 20 30 GGEDRM N#Cc1cccnc1Oc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCO2 ZINC000055591899 1407016755 /nfs/dbraw/zinc/01/67/55/1407016755.db2.gz TYLAZTBRHJSSKW-UHFFFAOYSA-N -1 0 393.424 3.481 20 30 GGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)CSc2ccc(F)c(F)c2)n1 ZINC000017834515 1399291594 /nfs/dbraw/zinc/29/15/94/1399291594.db2.gz ZVTBVXUUXHLCCR-LLVKDONJSA-N -1 0 382.413 3.242 20 30 GGEDRM COc1ccccc1S(=O)(=O)[N-]c1ccc(OCC(F)(F)F)c(C#N)c1 ZINC000055595660 1407018939 /nfs/dbraw/zinc/01/89/39/1407018939.db2.gz AXERQEDASNSXAM-UHFFFAOYSA-N -1 0 386.351 3.309 20 30 GGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2cc(-c3ccc(C)cc3)[nH]n2)n1 ZINC000021752881 1399406640 /nfs/dbraw/zinc/40/66/40/1399406640.db2.gz KBIWHRNUEQLLIU-CQSZACIVSA-N -1 0 380.429 3.183 20 30 GGEDRM COc1ccc(Cl)cc1CC(=O)OCC([O-])=C(C#N)c1nc(C)cs1 ZINC000024219081 1399612923 /nfs/dbraw/zinc/61/29/23/1399612923.db2.gz RONSCJYFOSXPEB-CYBMUJFWSA-N -1 0 378.837 3.076 20 30 GGEDRM C[C@@H]1CCCCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2C#N)cc1 ZINC000055651426 1407042535 /nfs/dbraw/zinc/04/25/35/1407042535.db2.gz OUFIOUUFHRYYOU-OAHLLOKOSA-N -1 0 383.473 3.374 20 30 GGEDRM CC1=CC(=O)C(=C([O-])C=Cc2ccc(OC(F)F)cc2OC(F)F)C(=O)O1 ZINC000024496997 1399637375 /nfs/dbraw/zinc/63/73/75/1399637375.db2.gz XDYUVESKBCVLIM-LYKUJDHUSA-N -1 0 388.269 3.118 20 30 GGEDRM N#Cc1cnn(-c2ccccc2[N-]S(=O)(=O)c2ccc3ccccc3c2)c1N ZINC000024578291 1399645621 /nfs/dbraw/zinc/64/56/21/1399645621.db2.gz JSOYXTJCKHKCOR-UHFFFAOYSA-N -1 0 389.440 3.280 20 30 GGEDRM C=CCNC(=O)c1ccc([N-]S(=O)(=O)c2cccc3cc(C)cnc32)cc1 ZINC000055664100 1407048152 /nfs/dbraw/zinc/04/81/52/1407048152.db2.gz QNGMQPDMHAHDIL-UHFFFAOYSA-N -1 0 381.457 3.260 20 30 GGEDRM N#Cc1nc(NC(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)[n-]c1C#N ZINC000026273189 1399875038 /nfs/dbraw/zinc/87/50/38/1399875038.db2.gz JXRBONRLNDZYGA-UHFFFAOYSA-N -1 0 396.819 3.373 20 30 GGEDRM N#Cc1nc(NC(=O)COc2ccc(-c3ccccc3)cc2Cl)[n-]c1C#N ZINC000026271562 1399875056 /nfs/dbraw/zinc/87/50/56/1399875056.db2.gz ZPMJSSUIHILIAX-UHFFFAOYSA-N -1 0 377.791 3.491 20 30 GGEDRM Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)Nc3nc(C#N)c(C#N)[n-]3)cc12 ZINC000026272749 1399875126 /nfs/dbraw/zinc/87/51/26/1399875126.db2.gz FMZYJNWNYXPRJY-UHFFFAOYSA-N -1 0 391.391 3.253 20 30 GGEDRM COc1ccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C#N)cc2)c([N+](=O)[O-])c1 ZINC000026547630 1399898927 /nfs/dbraw/zinc/89/89/27/1399898927.db2.gz QZQVTVQZBPUAOU-UHFFFAOYSA-N -1 0 375.406 3.205 20 30 GGEDRM CSc1[n-]c(=O)c(C(=O)N(C)Cc2ccc(OC(F)F)cc2)cc1C#N ZINC000027607059 1400065384 /nfs/dbraw/zinc/06/53/84/1400065384.db2.gz SAYBQLZKXOSNII-UHFFFAOYSA-N -1 0 379.388 3.254 20 30 GGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)[C@H](C)Oc2ccc(Cl)cc2)n1 ZINC000028208003 1400139916 /nfs/dbraw/zinc/13/99/16/1400139916.db2.gz KFDXCHMAOPXTPA-SMDDNHRTSA-N -1 0 378.837 3.292 20 30 GGEDRM C=CCn1c(=O)c2ccc(C(=O)N3CCC[C@H]3c3ccncc3)cc2[n-]c1=S ZINC000042795559 1400417237 /nfs/dbraw/zinc/41/72/37/1400417237.db2.gz UCNBHSFDEZNLFG-SFHVURJKSA-N -1 0 392.484 3.244 20 30 GGEDRM CCCc1ccc(S(=O)(=O)[N-]C(=O)Cn2cnc3c(C)cccc3c2=O)cc1 ZINC000045098494 1404052691 /nfs/dbraw/zinc/05/26/91/1404052691.db2.gz KDUDOCFMORLOJU-UHFFFAOYSA-N -1 0 399.472 3.003 20 30 GGEDRM CC(=O)N[C@@H](CC(=O)[N-]S(=O)(=O)Cc1ccc(F)cc1)c1ccc(C)cc1 ZINC000045099906 1404053944 /nfs/dbraw/zinc/05/39/44/1404053944.db2.gz YBKFDMBLEDIPQD-SFHVURJKSA-N -1 0 392.452 3.188 20 30 GGEDRM CC(=O)N[C@H](CC(=O)[N-]S(=O)(=O)Cc1ccc(F)cc1)c1ccc(C)cc1 ZINC000045099905 1404054045 /nfs/dbraw/zinc/05/40/45/1404054045.db2.gz YBKFDMBLEDIPQD-GOSISDBHSA-N -1 0 392.452 3.188 20 30 GGEDRM O=C(CCc1nc(-c2ccsc2)no1)[N-]S(=O)(=O)Cc1ccc(F)cc1 ZINC000045100246 1404054100 /nfs/dbraw/zinc/05/41/00/1404054100.db2.gz LZGDKGTVFMJGIK-UHFFFAOYSA-N -1 0 395.437 3.356 20 30 GGEDRM Cc1c(C(=O)[N-]S(=O)(=O)Cc2ccc(F)cc2)cnn1-c1ccccc1F ZINC000045100140 1404054153 /nfs/dbraw/zinc/05/41/53/1404054153.db2.gz IDYAYUAUNIHKHY-UHFFFAOYSA-N -1 0 391.399 3.294 20 30 GGEDRM CCCCCOc1ccc(C(=O)CCC(=O)Nc2nc(C#N)c(C#N)[n-]2)cc1 ZINC000045581652 1404151974 /nfs/dbraw/zinc/15/19/74/1404151974.db2.gz SRTAMYFMWPHUGD-UHFFFAOYSA-N -1 0 379.420 3.324 20 30 GGEDRM CC(=O)Nc1ccc(S(=O)(=O)[N-]C(=O)c2cccc(Br)c2)cc1 ZINC000046927106 1404638043 /nfs/dbraw/zinc/63/80/43/1404638043.db2.gz QEIYUVLPPXQSCR-UHFFFAOYSA-N -1 0 397.250 3.101 20 30 GGEDRM C[C@@H](CC#N)Sc1ccccc1NC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000735976661 1425696074 /nfs/dbraw/zinc/69/60/74/1425696074.db2.gz SXQGDNXQSLWURR-ZDUSSCGKSA-N -1 0 394.460 3.278 20 30 GGEDRM Cc1csc(C(C#N)=C([O-])c2ccc(S(=O)(=O)N3CCCCC3)cc2)n1 ZINC000047219520 1404751642 /nfs/dbraw/zinc/75/16/42/1404751642.db2.gz BTQCYNOECHQCOM-INIZCTEOSA-N -1 0 389.502 3.116 20 30 GGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)N2CCCC2)cc1 ZINC000047251155 1404768408 /nfs/dbraw/zinc/76/84/08/1404768408.db2.gz FOYSPECQEJLCTH-UHFFFAOYSA-N -1 0 389.864 3.248 20 30 GGEDRM C=CCn1c(=O)c2ccc(C(=O)N(C)[C@H](C)c3ccncc3)cc2[n-]c1=S ZINC000047277773 1404783835 /nfs/dbraw/zinc/78/38/35/1404783835.db2.gz AKAKJKCNZMUKIQ-CYBMUJFWSA-N -1 0 380.473 3.099 20 30 GGEDRM C=CCn1c(=O)c2ccc(C(=O)N(C)[C@@H](C)c3ccncc3)cc2[n-]c1=S ZINC000047277772 1404784044 /nfs/dbraw/zinc/78/40/44/1404784044.db2.gz AKAKJKCNZMUKIQ-ZDUSSCGKSA-N -1 0 380.473 3.099 20 30 GGEDRM CCOc1ccc(-c2nc(C)c(C(=O)Nc3nc(C#N)c(C#N)[n-]3)s2)cc1 ZINC000047475575 1404847438 /nfs/dbraw/zinc/84/74/38/1404847438.db2.gz CFXOOZRPQCLYLD-UHFFFAOYSA-N -1 0 378.417 3.236 20 30 GGEDRM CC(=O)N[C@@H](CC(=O)[N-]S(=O)(=O)c1ccccc1)c1ccc(Cl)cc1 ZINC000048405168 1405180404 /nfs/dbraw/zinc/18/04/04/1405180404.db2.gz FQEVDDZTKNRMQT-INIZCTEOSA-N -1 0 380.853 3.253 20 30 GGEDRM CC(=O)N[C@H](CC(=O)[N-]S(=O)(=O)c1ccccc1)c1ccc(Cl)cc1 ZINC000048405171 1405180445 /nfs/dbraw/zinc/18/04/45/1405180445.db2.gz FQEVDDZTKNRMQT-MRXNPFEDSA-N -1 0 380.853 3.253 20 30 GGEDRM O=C([N-]S(=O)(=O)c1ccc2ccccc2c1)[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000048407871 1405180868 /nfs/dbraw/zinc/18/08/68/1405180868.db2.gz BWZUAVPNRSERGS-INIZCTEOSA-N -1 0 386.473 3.276 20 30 GGEDRM Cc1ccc(C(=O)N2CCC[C@H](C(=O)[N-]S(=O)(=O)c3ccccc3)C2)cc1 ZINC000048406369 1405181194 /nfs/dbraw/zinc/18/11/94/1405181194.db2.gz ZDKMLDQTUYPZAC-KRWDZBQOSA-N -1 0 386.473 3.193 20 30 GGEDRM CN(CC(=O)[N-]S(=O)(=O)c1ccc2ccccc2c1)C(=O)c1cccs1 ZINC000048408237 1405181256 /nfs/dbraw/zinc/18/12/56/1405181256.db2.gz CBBBJVXHZYAFNC-UHFFFAOYSA-N -1 0 388.470 3.319 20 30 GGEDRM Cc1onc(-c2ccccc2)c1C(=O)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000048418653 1405184159 /nfs/dbraw/zinc/18/41/59/1405184159.db2.gz IVYXGNFBOZCYHQ-UHFFFAOYSA-N -1 0 387.373 3.252 20 30 GGEDRM O=C(CCc1nc(-c2ccccn2)no1)[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000048418418 1405184167 /nfs/dbraw/zinc/18/41/67/1405184167.db2.gz KKNPDLYPIWWPCS-UHFFFAOYSA-N -1 0 392.824 3.063 20 30 GGEDRM O=C([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1cnc(-c2ccccc2)s1 ZINC000048419415 1405184745 /nfs/dbraw/zinc/18/47/45/1405184745.db2.gz RIOSKTCFCGGBEK-UHFFFAOYSA-N -1 0 389.414 3.412 20 30 GGEDRM Cc1ccc(C(=O)N[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(C)cc2)C(C)C)cc1 ZINC000048420802 1405185479 /nfs/dbraw/zinc/18/54/79/1405185479.db2.gz JXUMNUXRUREIFE-GOSISDBHSA-N -1 0 388.489 3.403 20 30 GGEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1 ZINC000048422979 1405185850 /nfs/dbraw/zinc/18/58/50/1405185850.db2.gz ZHDIINLJORMYRV-ZDUSSCGKSA-N -1 0 392.864 3.347 20 30 GGEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)c2cnn3c2nccc3-c2ccccc2)cc1 ZINC000048422845 1405185954 /nfs/dbraw/zinc/18/59/54/1405185954.db2.gz OGRTVSVQUUWRGV-UHFFFAOYSA-N -1 0 392.440 3.398 20 30 GGEDRM N#Cc1ccc(CCC(=O)[N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000048423953 1405186848 /nfs/dbraw/zinc/18/68/48/1405186848.db2.gz JBJISYZBDKXBJN-UHFFFAOYSA-N -1 0 393.808 3.398 20 30 GGEDRM Cc1ccc(C(=O)N[C@H](C(=O)[N-]S(=O)(=O)c2cccs2)C(C)C)cc1 ZINC000048427285 1405187424 /nfs/dbraw/zinc/18/74/24/1405187424.db2.gz ZNBLUVBEEKCBCD-HNNXBMFYSA-N -1 0 380.491 3.156 20 30 GGEDRM Cc1ccc(C(=O)N[C@@H](C(=O)[N-]S(=O)(=O)c2cccs2)C(C)C)cc1 ZINC000048427287 1405187504 /nfs/dbraw/zinc/18/75/04/1405187504.db2.gz ZNBLUVBEEKCBCD-OAHLLOKOSA-N -1 0 380.491 3.156 20 30 GGEDRM O=C([N-]S(=O)(=O)c1cccs1)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000048447977 1405192207 /nfs/dbraw/zinc/19/22/07/1405192207.db2.gz ZFVLPCMKYIODCO-ZDUSSCGKSA-N -1 0 396.465 3.085 20 30 GGEDRM CCOc1ccc(S(=O)(=O)[N-]C(=O)c2csc(-c3ccco3)n2)cc1 ZINC000048452404 1405192807 /nfs/dbraw/zinc/19/28/07/1405192807.db2.gz RWSUJRUMCARWJW-UHFFFAOYSA-N -1 0 378.431 3.495 20 30 GGEDRM O=C([N-]S(=O)(=O)c1cccs1)c1cccc(NC(=O)c2ccco2)c1 ZINC000048450374 1405193003 /nfs/dbraw/zinc/19/30/03/1405193003.db2.gz MZNUQSPKLKEWCC-UHFFFAOYSA-N -1 0 376.415 3.287 20 30 GGEDRM O=C(CCc1nc(-c2ccccn2)no1)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000048461502 1405196749 /nfs/dbraw/zinc/19/67/49/1405196749.db2.gz LSBPCSKCSIIUOY-UHFFFAOYSA-N -1 0 398.853 3.125 20 30 GGEDRM O=C(Cc1cc2ccccc2[nH]c1=O)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000048461444 1405196919 /nfs/dbraw/zinc/19/69/19/1405196919.db2.gz 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376.272 3.447 20 30 GGEDRM O=C([N-]S(=O)(=O)c1c(Cl)nc2ccccn21)c1cc(Cl)ccc1F ZINC000058102267 1407783807 /nfs/dbraw/zinc/78/38/07/1407783807.db2.gz NFMOGTZDBFZLQJ-UHFFFAOYSA-N -1 0 388.207 3.474 20 30 GGEDRM O=C([N-]S(=O)(=O)c1c(Cl)nc2ccccn21)c1ccc(Cl)cc1F ZINC000058103158 1407783844 /nfs/dbraw/zinc/78/38/44/1407783844.db2.gz FCDSDIPGOOVQGD-UHFFFAOYSA-N -1 0 388.207 3.474 20 30 GGEDRM O=C([N-]S(=O)(=O)c1c(Cl)nc2ccccn21)c1ccc2ccccc2n1 ZINC000058102630 1407783973 /nfs/dbraw/zinc/78/39/73/1407783973.db2.gz YNNVHSUENVYONS-UHFFFAOYSA-N -1 0 386.820 3.229 20 30 GGEDRM Cc1[nH]c2ccccc2c1C(=O)[N-]S(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000058105075 1407784485 /nfs/dbraw/zinc/78/44/85/1407784485.db2.gz LZAIKBLVVHSWEW-UHFFFAOYSA-N -1 0 388.836 3.471 20 30 GGEDRM O=C([N-]S(=O)(=O)c1cnn(-c2ccccc2)c1)c1ccc(Cl)cc1F ZINC000058113934 1407786271 /nfs/dbraw/zinc/78/62/71/1407786271.db2.gz UOPLPRITVACWLH-UHFFFAOYSA-N -1 0 379.800 3.358 20 30 GGEDRM O=C(COc1ccc(F)cc1Cl)[N-]S(=O)(=O)Cc1ccc(Cl)nc1 ZINC000058152461 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3.473 20 30 GGEDRM N#Cc1cc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)ccc1OCC(F)(F)F ZINC000060691430 1408022267 /nfs/dbraw/zinc/02/22/67/1408022267.db2.gz VSGIFFKPECAPEK-UHFFFAOYSA-N -1 0 381.266 3.365 20 30 GGEDRM CC(=O)CCc1ccc(OCCC(=O)[N-]S(=O)(=O)c2ccccc2)cc1 ZINC000060765093 1408030208 /nfs/dbraw/zinc/03/02/08/1408030208.db2.gz SVYQNIVACLMZEE-UHFFFAOYSA-N -1 0 375.446 3.323 20 30 GGEDRM Cc1cc(S(=O)(=O)[N-]C(=O)COCCc2ccccc2)cc([N+](=O)[O-])c1C ZINC000060765870 1408030300 /nfs/dbraw/zinc/03/03/00/1408030300.db2.gz FLMDTGMSUXQNFE-UHFFFAOYSA-N -1 0 392.433 3.116 20 30 GGEDRM CC(=O)CCc1ccc(OCCC(=O)[N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000060765393 1408030364 /nfs/dbraw/zinc/03/03/64/1408030364.db2.gz GPIAMVKDCTUJRO-UHFFFAOYSA-N -1 0 393.436 3.462 20 30 GGEDRM COc1ccc(CCCC(=O)[N-]S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 ZINC000061066974 1408073799 /nfs/dbraw/zinc/07/37/99/1408073799.db2.gz IMUMKPQVLIYJMN-UHFFFAOYSA-N -1 0 390.461 3.322 20 30 GGEDRM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)N2CCC(C#N)CC2)c1 ZINC000061585280 1408151618 /nfs/dbraw/zinc/15/16/18/1408151618.db2.gz VYCZOOGTHPSELO-UHFFFAOYSA-N -1 0 397.500 3.480 20 30 GGEDRM CCOC(=O)c1ccc(-c2nn[n-]n2)c(S[C@@H](C)c2ccc(C#N)cc2)n1 ZINC000736603295 1428297399 /nfs/dbraw/zinc/29/73/99/1428297399.db2.gz NGVZVBMDGJWRFD-NSHDSACASA-N -1 0 380.433 3.163 20 30 GGEDRM Cc1c(C(=O)Nc2cc(C#N)ccc2[O-])sc2nc3n(c(=O)c12)CCCCC3 ZINC000176394079 1428297782 /nfs/dbraw/zinc/29/77/82/1428297782.db2.gz LGQQTMBCNPTWCX-UHFFFAOYSA-N -1 0 394.456 3.322 20 30 GGEDRM CC(=O)Nc1ccc(S(=O)(=O)[N-]C(=O)c2cnc(C(C)(C)C)s2)cc1 ZINC000063234032 1408319755 /nfs/dbraw/zinc/31/97/55/1408319755.db2.gz CAFYDINEMPAGAB-UHFFFAOYSA-N -1 0 381.479 3.093 20 30 GGEDRM O=C(Cc1ccccc1)N1CCC[C@@H]1C(=O)[N-]S(=O)(=O)C=Cc1ccccc1 ZINC000063234797 1408320344 /nfs/dbraw/zinc/32/03/44/1408320344.db2.gz WDVAVVLVMJOFRF-OCKXMSAZSA-N -1 0 398.484 3.177 20 30 GGEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cnn(-c3ccccc3F)c2C)n1 ZINC000063237213 1408320512 /nfs/dbraw/zinc/32/05/12/1408320512.db2.gz MISODUWWFMIBBV-LBPRGKRZSA-N -1 0 398.419 3.443 20 30 GGEDRM CC(C)(C)c1ncc(C([O-])=C(C#N)c2nc(N)nc(Nc3ccccc3)n2)s1 ZINC000063235485 1408320637 /nfs/dbraw/zinc/32/06/37/1408320637.db2.gz XOHLMNQBFUWJMH-LBPRGKRZSA-N -1 0 393.476 3.441 20 30 GGEDRM C[C@@H](C#N)CN(C)C(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000063747311 1408399953 /nfs/dbraw/zinc/39/99/53/1408399953.db2.gz FHIJYWMYHAENOP-ZDUSSCGKSA-N -1 0 391.880 3.372 20 30 GGEDRM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccccc1C(=O)N(C)C[C@@H](C)C#N ZINC000063747313 1408400413 /nfs/dbraw/zinc/40/04/13/1408400413.db2.gz FWDUKYISNRNVOD-ZDUSSCGKSA-N -1 0 389.452 3.167 20 30 GGEDRM CCS(=O)(=O)c1ccc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)cc1 ZINC000064100368 1408483516 /nfs/dbraw/zinc/48/35/16/1408483516.db2.gz UQMYQVBSYGGTQO-CQSZACIVSA-N -1 0 382.363 3.384 20 30 GGEDRM COC(=O)c1c(C)cccc1S(=O)(=O)[N-]c1cccc(OCCCC#N)c1 ZINC000064476508 1408562026 /nfs/dbraw/zinc/56/20/26/1408562026.db2.gz ZNCRFPQGLTZVEI-UHFFFAOYSA-N -1 0 388.445 3.265 20 30 GGEDRM Cc1ccc(Br)cc1S(=O)(=O)[N-]C(=O)[C@@H](C)OCC1CC1 ZINC000064666257 1408593540 /nfs/dbraw/zinc/59/35/40/1408593540.db2.gz YPBXIRKQACWBOP-SNVBAGLBSA-N -1 0 376.272 3.218 20 30 GGEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CCCN(C(=O)C(C)(C)C)C2)cc1C ZINC000064666135 1408593671 /nfs/dbraw/zinc/59/36/71/1408593671.db2.gz FPEXXENIQVCJTN-OAHLLOKOSA-N -1 0 380.510 3.233 20 30 GGEDRM Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)[C@H]2CCCN(C(=O)C(C)(C)C)C2)c1 ZINC000064666073 1408593907 /nfs/dbraw/zinc/59/39/07/1408593907.db2.gz HOUGHQRYVGIPNH-HNNXBMFYSA-N -1 0 380.510 3.233 20 30 GGEDRM N#Cc1cccc(S(=O)(=O)[N-]C(=O)c2ccc(Oc3cccnc3)cc2)c1 ZINC000064667330 1408594292 /nfs/dbraw/zinc/59/42/92/1408594292.db2.gz NUBKSLPUSKPFGV-UHFFFAOYSA-N -1 0 379.397 3.439 20 30 GGEDRM C[C@@H](NC(=O)c1cccs1)C(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000064696542 1408597607 /nfs/dbraw/zinc/59/76/07/1408597607.db2.gz PPUMUDPQWGQXEF-MRVPVSSYSA-N -1 0 390.845 3.004 20 30 GGEDRM Cc1nn2c(nc(C)cc2C)c1C(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000064698231 1408598155 /nfs/dbraw/zinc/59/81/55/1408598155.db2.gz KMCNSFTYPDHZRI-UHFFFAOYSA-N -1 0 396.831 3.141 20 30 GGEDRM CCCc1noc(CCCC(=O)[N-]S(=O)(=O)c2ccc(Cl)cc2F)n1 ZINC000064698243 1408598576 /nfs/dbraw/zinc/59/85/76/1408598576.db2.gz BIUHJKYAPSKFOZ-UHFFFAOYSA-N -1 0 389.836 3.483 20 30 GGEDRM COCc1nc(C(=O)[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)cs1 ZINC000065042181 1408638112 /nfs/dbraw/zinc/63/81/12/1408638112.db2.gz DEKDHEUJRWMURM-UHFFFAOYSA-N -1 0 380.369 3.002 20 30 GGEDRM COCc1nc(C(=O)[N-]S(=O)(=O)c2ccccc2C(F)(F)F)cs1 ZINC000065042129 1408638278 /nfs/dbraw/zinc/63/82/78/1408638278.db2.gz UMZAPXCAPJGRKT-UHFFFAOYSA-N -1 0 380.369 3.002 20 30 GGEDRM C=CCc1cc(CNC(=O)c2cc(C#N)c(SC)[n-]c2=O)cc(OC)c1OC ZINC000065323071 1408660840 /nfs/dbraw/zinc/66/08/40/1408660840.db2.gz BFEAUURYDCZKGW-UHFFFAOYSA-N -1 0 399.472 3.056 20 30 GGEDRM CC(=CC(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCC(=O)N2)c1ccc(F)cc1 ZINC000065647730 1408705018 /nfs/dbraw/zinc/70/50/18/1408705018.db2.gz BFPKYFHYENZIMX-BENRWUELSA-N -1 0 388.420 3.459 20 30 GGEDRM O=C([N-]S(=O)(=O)c1ccc(F)cc1)C1(c2cccc(F)c2)CCOCC1 ZINC000065763484 1408725623 /nfs/dbraw/zinc/72/56/23/1408725623.db2.gz LHWWTTOAXSVNCQ-UHFFFAOYSA-N -1 0 381.400 3.358 20 30 GGEDRM Cc1sc(=O)n(CC(=O)[N-]S(=O)(=O)c2ccc3ccccc3c2)c1C ZINC000065762943 1408725651 /nfs/dbraw/zinc/72/56/51/1408725651.db2.gz HSORBERYOMHZAQ-UHFFFAOYSA-N -1 0 376.459 3.025 20 30 GGEDRM CCOc1ccc(CCC(=O)[N-]S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 ZINC000065763108 1408725663 /nfs/dbraw/zinc/72/56/63/1408725663.db2.gz YVCXENJYNDHCND-UHFFFAOYSA-N -1 0 390.461 3.322 20 30 GGEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H](C(C)C)n2nnc(-c3ccccc3)n2)cc1 ZINC000065763177 1408725766 /nfs/dbraw/zinc/72/57/66/1408725766.db2.gz IWWJDKZPEZCAKO-QGZVFWFLSA-N -1 0 399.476 3.191 20 30 GGEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)CCCNC(=O)c2ccc(F)cc2)cc1C ZINC000065763893 1408725825 /nfs/dbraw/zinc/72/58/25/1408725825.db2.gz LEBMBXALLMMECD-UHFFFAOYSA-N -1 0 392.452 3.298 20 30 GGEDRM Cc1ccccc1S(=O)(=O)[N-]C(=O)[C@H](C(C)C)n1nnc(-c2ccccc2)n1 ZINC000065763326 1408725829 /nfs/dbraw/zinc/72/58/29/1408725829.db2.gz JMJGIQCQOAGYLZ-KRWDZBQOSA-N -1 0 399.476 3.191 20 30 GGEDRM CC(=O)Nc1ccc(S(=O)(=O)[N-]C(=O)CCc2cc(F)ccc2F)cc1 ZINC000065763122 1408725851 /nfs/dbraw/zinc/72/58/51/1408725851.db2.gz ZBFLGRUOMDORKG-UHFFFAOYSA-N -1 0 382.388 3.201 20 30 GGEDRM C=CCCCC(=O)[N-]S(=O)(=O)c1cc(Br)ccc1OCC ZINC000176510043 1428344623 /nfs/dbraw/zinc/34/46/23/1428344623.db2.gz LHHZOJPIIMGYDE-UHFFFAOYSA-N -1 0 376.272 3.009 20 30 GGEDRM CCOc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]C(=O)c1sccc1CC ZINC000066003313 1408771935 /nfs/dbraw/zinc/77/19/35/1408771935.db2.gz OXVULDVOBIRXCB-UHFFFAOYSA-N -1 0 396.490 3.361 20 30 GGEDRM COc1ccc(S(=O)(=O)[N-]C(=O)c2sccc2C(C)C)c([N+](=O)[O-])c1 ZINC000066003369 1408771986 /nfs/dbraw/zinc/77/19/86/1408771986.db2.gz KULAZDFQWSVZIP-UHFFFAOYSA-N -1 0 384.435 3.482 20 30 GGEDRM O=C([N-]S(=O)(=O)Cc1ccc(F)cc1)C1(c2ccc(F)cc2)CCOCC1 ZINC000066003378 1408772048 /nfs/dbraw/zinc/77/20/48/1408772048.db2.gz QDSSMPUQFVPIJY-UHFFFAOYSA-N -1 0 395.427 3.500 20 30 GGEDRM COc1ccc(S(=O)(=O)[N-]C(=O)C2(c3cccc(C)c3)CC2)c([N+](=O)[O-])c1 ZINC000066003375 1408772099 /nfs/dbraw/zinc/77/20/99/1408772099.db2.gz YCTKZNRRAOBLLX-UHFFFAOYSA-N -1 0 390.417 3.289 20 30 GGEDRM COc1ccc(-n2ccc(C(=O)[N-]S(=O)(=O)C=Cc3ccccc3)n2)cc1 ZINC000066002849 1408772159 /nfs/dbraw/zinc/77/21/59/1408772159.db2.gz YEUVMEFSNOSKRP-WYMLVPIESA-N -1 0 383.429 3.186 20 30 GGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccnn2CCc2ccccc2)cc1Cl ZINC000066252954 1408797196 /nfs/dbraw/zinc/79/71/96/1408797196.db2.gz ZDPCFKLGVRRODC-UHFFFAOYSA-N -1 0 386.864 3.452 20 30 GGEDRM CCCn1c(=O)[nH]c2cc(S(=O)(=O)[N-]C(=O)c3sccc3CC)ccc21 ZINC000066504185 1408849863 /nfs/dbraw/zinc/84/98/63/1408849863.db2.gz GICHCUARMRIYNC-UHFFFAOYSA-N -1 0 393.490 3.057 20 30 GGEDRM Cc1c(C([O-])=C(C#N)c2nc3ccccc3o2)sc2nc3n(c(=O)c12)CCC3 ZINC000066516750 1408851541 /nfs/dbraw/zinc/85/15/41/1408851541.db2.gz FVSSLQMNBQFUON-LLVKDONJSA-N -1 0 390.424 3.344 20 30 GGEDRM O=C([N-]S(=O)(=O)N1CCCC1)c1csc(-c2ccc(Cl)s2)n1 ZINC000066519985 1408852523 /nfs/dbraw/zinc/85/25/23/1408852523.db2.gz YSGSRBGPRBHEHU-UHFFFAOYSA-N -1 0 377.900 3.170 20 30 GGEDRM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2cccc3ccc(C)nc32)c1 ZINC000066587569 1408861404 /nfs/dbraw/zinc/86/14/04/1408861404.db2.gz NNOGIXPAKDVFQJ-UHFFFAOYSA-N -1 0 381.457 3.260 20 30 GGEDRM Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)c1cccc(OC2CCCC2)c1 ZINC000066722990 1408893874 /nfs/dbraw/zinc/89/38/74/1408893874.db2.gz RHVWHHWIQPBKNX-UHFFFAOYSA-N -1 0 377.466 3.052 20 30 GGEDRM COc1ccc(S(=O)(=O)[N-]C(=O)c2ccccc2F)cc1Br ZINC000066741710 1408898034 /nfs/dbraw/zinc/89/80/34/1408898034.db2.gz TXYVLONTJRLQRY-UHFFFAOYSA-N -1 0 388.214 3.290 20 30 GGEDRM N#Cc1cccc(CS(=O)(=O)[N-]C(=O)c2ccc(Oc3ccccc3)o2)c1 ZINC000176563753 1428364826 /nfs/dbraw/zinc/36/48/26/1428364826.db2.gz LNRCESRKIMHIFH-UHFFFAOYSA-N -1 0 382.397 3.203 20 30 GGEDRM O=[N+]([O-])c1ccc([O-])c(/C=N\C[C@@H](O)COc2ccc(C(F)(F)F)cc2)c1 ZINC000066887834 1408941007 /nfs/dbraw/zinc/94/10/07/1408941007.db2.gz GBRIBQNTJCLUSF-LQAOBTILSA-N -1 0 384.310 3.178 20 30 GGEDRM C[C@@H]1C[C@H](CC(=O)[N-]S(=O)(=O)c2cccc(-n3cnnn3)c2)CC(C)(C)C1 ZINC000067600036 1409183156 /nfs/dbraw/zinc/18/31/56/1409183156.db2.gz DDIUIHOSDRUYLW-ZIAGYGMSSA-N -1 0 391.497 3.160 20 30 GGEDRM CC(=O)N[C@@H](CC(=O)[N-]S(=O)(=O)c1ccccc1C)c1c(F)cccc1F ZINC000067599857 1409183325 /nfs/dbraw/zinc/18/33/25/1409183325.db2.gz JRXQPCGCSDECDC-HNNXBMFYSA-N -1 0 396.415 3.186 20 30 GGEDRM C[C@H]1C[C@H](CC(=O)[N-]S(=O)(=O)c2cccc(-n3cnnn3)c2)CC(C)(C)C1 ZINC000067600037 1409183479 /nfs/dbraw/zinc/18/34/79/1409183479.db2.gz DDIUIHOSDRUYLW-UONOGXRCSA-N -1 0 391.497 3.160 20 30 GGEDRM C[C@@H](CC(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCC2)NC(=O)C1CCCCC1 ZINC000067600587 1409183622 /nfs/dbraw/zinc/18/36/22/1409183622.db2.gz HGACPKJDRLWVOD-AWEZNQCLSA-N -1 0 392.521 3.296 20 30 GGEDRM C[C@H](CC(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCC2)NC(=O)C1CCCCC1 ZINC000067600588 1409183948 /nfs/dbraw/zinc/18/39/48/1409183948.db2.gz 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C[C@@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1)c1ccc(Br)cc1 ZINC000824045643 1428393422 /nfs/dbraw/zinc/39/34/22/1428393422.db2.gz NVHGGHJEFVGVNX-SNVBAGLBSA-N -1 0 397.236 3.243 20 30 GGEDRM O=C(C=Cc1ccc(O)c(Br)c1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826400583 1428396322 /nfs/dbraw/zinc/39/63/22/1428396322.db2.gz BWJITVSKOXZBQL-ORCRQEGFSA-N -1 0 389.184 3.370 20 30 GGEDRM C[C@H](OCC1CC1)C(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000068337255 1409371972 /nfs/dbraw/zinc/37/19/72/1409371972.db2.gz JNUSRVCXTLDWNM-VIFPVBQESA-N -1 0 376.356 3.037 20 30 GGEDRM Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)[C@@H]2CCCN(C(=O)C(C)(C)C)C2)c1 ZINC000068335789 1409372141 /nfs/dbraw/zinc/37/21/41/1409372141.db2.gz HOUGHQRYVGIPNH-OAHLLOKOSA-N -1 0 380.510 3.233 20 30 GGEDRM C[S@](=O)Cc1cccc(C(=O)[N-]S(=O)(=O)c2ccc(Cl)cc2F)c1 ZINC000068338235 1409372729 /nfs/dbraw/zinc/37/27/29/1409372729.db2.gz LZWCFQWVNNXXQA-HSZRJFAPSA-N -1 0 389.857 3.051 20 30 GGEDRM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C#N)cc2)c(Cl)cc1Cl ZINC000176672684 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Cc1c(C([O-])=C(C#N)c2nc3ccccc3[nH]2)nnn1-c1cccc2cnccc21 ZINC000108937229 1411646531 /nfs/dbraw/zinc/64/65/31/1411646531.db2.gz PFBJZBYVZBMPSY-INIZCTEOSA-N -1 0 393.410 3.490 20 30 GGEDRM Cc1c(C([O-])=C(C#N)C(=O)NC(C)C)nnn1-c1ccc(-c2ccccc2)cc1 ZINC000108938157 1411646741 /nfs/dbraw/zinc/64/67/41/1411646741.db2.gz JSLDGXYSNBLNSK-LJQANCHMSA-N -1 0 387.443 3.090 20 30 GGEDRM C[C@@H](CC#N)Sc1ccccc1[N-]S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000108985310 1411654143 /nfs/dbraw/zinc/65/41/43/1411654143.db2.gz TZJQPZBJEJSKGO-NSHDSACASA-N -1 0 388.474 3.051 20 30 GGEDRM Cc1n[nH]cc1S(=O)(=O)[N-]c1cccc(COc2ccc(CC#N)cc2)c1 ZINC000110588920 1411858920 /nfs/dbraw/zinc/85/89/20/1411858920.db2.gz YYMPOQNOIXMHGQ-UHFFFAOYSA-N -1 0 382.445 3.164 20 30 GGEDRM Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)CCCCOc2cccc(C#N)c2)c1 ZINC000111942349 1412060469 /nfs/dbraw/zinc/06/04/69/1412060469.db2.gz JSJRKTHJVKEKCM-UHFFFAOYSA-N -1 0 386.473 3.229 20 30 GGEDRM O=S(=O)([N-]c1cccc(C#Cc2ccccn2)c1)c1cccc2c1OCCO2 ZINC000111995037 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C=CCn1c(=O)c2ccc(C(=O)N3CCOC[C@H]3CC(C)C)cc2[n-]c1=S ZINC000113991622 1412364608 /nfs/dbraw/zinc/36/46/08/1412364608.db2.gz ZLPCKGMJDGKCFK-OAHLLOKOSA-N -1 0 387.505 3.132 20 30 GGEDRM C[C@@H]1Oc2c(cccc2C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)NC1=O ZINC000114620118 1412479703 /nfs/dbraw/zinc/47/97/03/1412479703.db2.gz GAKWZWAGGJEMQP-FZMZJTMJSA-N -1 0 390.424 3.415 20 30 GGEDRM CS(=O)(=O)c1ccc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)cc1 ZINC000114620891 1412479724 /nfs/dbraw/zinc/47/97/24/1412479724.db2.gz UUXHUWFUQVBREB-HNNXBMFYSA-N -1 0 383.454 3.099 20 30 GGEDRM CS(=O)(=O)Cc1ccc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)cc1 ZINC000114621504 1412480354 /nfs/dbraw/zinc/48/03/54/1412480354.db2.gz HTWUIUJXUHNCRP-MRXNPFEDSA-N -1 0 397.481 3.240 20 30 GGEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccccc1NC(=O)N1CCCC1 ZINC000114673572 1412493469 /nfs/dbraw/zinc/49/34/69/1412493469.db2.gz JGZYSEPXNCUYDQ-UHFFFAOYSA-N -1 0 384.461 3.295 20 30 GGEDRM CCCCCCC[C@@]1(C)NC(=O)N([N-]C(=O)c2ccc(F)c(F)c2F)C1=O ZINC000177268561 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YKKQRTSEVYWNJR-HNNXBMFYSA-N -1 0 378.457 3.448 20 30 GGEDRM COc1ccc(CNC(=O)C(C#N)=C([O-])c2cc(F)cc(C(F)(F)F)c2)cc1 ZINC000120140524 1413703548 /nfs/dbraw/zinc/70/35/48/1413703548.db2.gz VTJKJVSVHUDJKV-MRXNPFEDSA-N -1 0 394.324 3.492 20 30 GGEDRM Cc1cccc(-c2nc(CC(=O)[N-]S(=O)(=O)c3ccc(C#N)cc3)cs2)c1 ZINC000120156992 1413711131 /nfs/dbraw/zinc/71/11/31/1413711131.db2.gz WZTOXJUUFPQBSJ-UHFFFAOYSA-N -1 0 397.481 3.038 20 30 GGEDRM Cc1nc([N-]S(=O)(=O)c2cc(C)ccc2Cl)n(-c2ccc(C#N)cc2)n1 ZINC000120383859 1413806516 /nfs/dbraw/zinc/80/65/16/1413806516.db2.gz CLQNSBPPOZUKGQ-UHFFFAOYSA-N -1 0 387.852 3.210 20 30 GGEDRM N#CC(C(=O)NCc1ccccc1)=C([O-])c1cnn(-c2ccccc2Cl)c1 ZINC000120453702 1413821229 /nfs/dbraw/zinc/82/12/29/1413821229.db2.gz ZXTSGGHVUURQAP-MRXNPFEDSA-N -1 0 378.819 3.165 20 30 GGEDRM O=[N+]([O-])c1ccc([O-])c(/C=N/C[C@@H](c2ccccc2Cl)N2CCOCC2)c1 ZINC000120526297 1413836323 /nfs/dbraw/zinc/83/63/23/1413836323.db2.gz OBOQOGBJRQXWGE-IUOVYFEOSA-N -1 0 389.839 3.446 20 30 GGEDRM Cc1ccc(C#N)cc1NC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000737306770 1428761186 /nfs/dbraw/zinc/76/11/86/1428761186.db2.gz SJOPDCCOWACICY-UHFFFAOYSA-N -1 0 397.398 3.486 20 30 GGEDRM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccccc1OC(F)(F)F ZINC000120667349 1413870349 /nfs/dbraw/zinc/87/03/49/1413870349.db2.gz SHZFGSGEZYEDNB-UHFFFAOYSA-N -1 0 387.295 3.166 20 30 GGEDRM CCCCCCC[C@]1(C)NC(=O)N([N-]C(=O)c2ccn(-c3ccccc3)n2)C1=O ZINC000120789384 1413903629 /nfs/dbraw/zinc/90/36/29/1413903629.db2.gz SSCNXFYNMRIBDX-NRFANRHFSA-N -1 0 397.479 3.188 20 30 GGEDRM N#Cc1cc(NC(=O)c2cccc(C(F)(F)F)c2F)ccc1-c1nn[n-]n1 ZINC000822822659 1428766040 /nfs/dbraw/zinc/76/60/40/1428766040.db2.gz AFXSDIGSBSTFDN-UHFFFAOYSA-N -1 0 376.273 3.149 20 30 GGEDRM CC(C)COc1cccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)c1 ZINC000120929018 1413950994 /nfs/dbraw/zinc/95/09/94/1413950994.db2.gz JIJXYFPLUGLXJV-UHFFFAOYSA-N -1 0 375.406 3.302 20 30 GGEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)Cc1cc2ccccc2[nH]c1=O ZINC000120991898 1413970798 /nfs/dbraw/zinc/97/07/98/1413970798.db2.gz MDTKIAHAJCKHBN-QGZVFWFLSA-N -1 0 383.407 3.452 20 30 GGEDRM CC[C@H](C)Oc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)cc1 ZINC000120995364 1413971329 /nfs/dbraw/zinc/97/13/29/1413971329.db2.gz RPSRSJCLKZVNNS-LBPRGKRZSA-N -1 0 375.406 3.445 20 30 GGEDRM CC(C)OCc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)cc1 ZINC000120998574 1413972279 /nfs/dbraw/zinc/97/22/79/1413972279.db2.gz SKKHSKYEDFIXSU-UHFFFAOYSA-N -1 0 375.406 3.192 20 30 GGEDRM C=CCn1c(=O)c2ccc(C(=O)N3CCCc4ccccc43)cc2[n-]c1=S ZINC000120999898 1413972917 /nfs/dbraw/zinc/97/29/17/1413972917.db2.gz IIZJETXNZGEUSX-UHFFFAOYSA-N -1 0 377.469 3.464 20 30 GGEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)CCNC(=O)c1cccs1 ZINC000121019343 1413978496 /nfs/dbraw/zinc/97/84/96/1413978496.db2.gz IAPBBZKHOOHXNJ-CQSZACIVSA-N -1 0 379.441 3.250 20 30 GGEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 ZINC000121030214 1413982851 /nfs/dbraw/zinc/98/28/51/1413982851.db2.gz RHCWPQKQHGATMJ-WMLDXEAASA-N -1 0 389.411 3.010 20 30 GGEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)CCS(=O)(=O)C1CCCC1 ZINC000121059472 1413992342 /nfs/dbraw/zinc/99/23/42/1413992342.db2.gz SJJRHSPKZIHONK-INIZCTEOSA-N -1 0 386.473 3.115 20 30 GGEDRM CCOC(=O)N1CCC[C@@H](C(=O)C(C#N)=C([O-])c2c(C)[nH]c3ccccc32)C1 ZINC000121060606 1413993063 /nfs/dbraw/zinc/99/30/63/1413993063.db2.gz KYRJHTYXYQJQHU-GDBMZVCRSA-N -1 0 381.432 3.236 20 30 GGEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000121067846 1413995153 /nfs/dbraw/zinc/99/51/53/1413995153.db2.gz QXNHLDNHGHPSIQ-INIZCTEOSA-N -1 0 377.356 3.355 20 30 GGEDRM CSc1[n-]c(=O)c(C(=O)N2CCC(c3c[nH]c4ccccc43)CC2)cc1C#N ZINC000121088911 1414003583 /nfs/dbraw/zinc/00/35/83/1414003583.db2.gz HSXWDIMFEPHFEQ-UHFFFAOYSA-N -1 0 392.484 3.470 20 30 GGEDRM CSc1[n-]c(=O)c(C(=O)N[C@H](C)c2ccc(OC(F)F)cc2)cc1C#N ZINC000121180400 1414035145 /nfs/dbraw/zinc/03/51/45/1414035145.db2.gz JLHOOJGGFYLFCX-SECBINFHSA-N -1 0 379.388 3.061 20 30 GGEDRM COc1ccccc1[C@@H](NS(=O)(=O)c1cccc(C)c1C#N)c1ccccn1 ZINC000121238434 1414054650 /nfs/dbraw/zinc/05/46/50/1414054650.db2.gz GZVDRQSEUSVRTL-OAQYLSRUSA-N -1 0 393.468 3.338 20 30 GGEDRM COc1ccccc1[C@H](NS(=O)(=O)c1cccc(C)c1C#N)c1ccccn1 ZINC000121238278 1414054703 /nfs/dbraw/zinc/05/47/03/1414054703.db2.gz GZVDRQSEUSVRTL-NRFANRHFSA-N -1 0 393.468 3.338 20 30 GGEDRM N#CC(C(=O)NCc1ccccc1)=C([O-])c1ccnc(OCc2ccccc2)c1 ZINC000121258207 1414061998 /nfs/dbraw/zinc/06/19/98/1414061998.db2.gz HZQSTMXCNMJFQB-FQEVSTJZSA-N -1 0 385.423 3.299 20 30 GGEDRM C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000121485068 1414145008 /nfs/dbraw/zinc/14/50/08/1414145008.db2.gz SHFMHMAVRXIEFK-LBPRGKRZSA-N -1 0 396.390 3.261 20 30 GGEDRM N#CC(=C([O-])c1ccc(N2CCCC2)nn1)c1nc(-c2ccncc2)cs1 ZINC000121510591 1414156701 /nfs/dbraw/zinc/15/67/01/1414156701.db2.gz NUFSHQOWZMADTD-AWEZNQCLSA-N -1 0 376.445 3.085 20 30 GGEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)c1cnn(-c2ccc(F)cc2)n1 ZINC000121552090 1414173268 /nfs/dbraw/zinc/17/32/68/1414173268.db2.gz GFKICSCTDAVPEQ-INIZCTEOSA-N -1 0 387.374 3.402 20 30 GGEDRM N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000177543111 1428786658 /nfs/dbraw/zinc/78/66/58/1428786658.db2.gz GFMCZOKRHNWBPJ-UHFFFAOYSA-N -1 0 388.298 3.215 20 30 GGEDRM Cc1oc(-c2ccccc2F)nc1C([O-])=C(C#N)C(=O)NCCCOC(C)C ZINC000121605237 1414196160 /nfs/dbraw/zinc/19/61/60/1414196160.db2.gz KRTGTOPEGBZPHJ-HNNXBMFYSA-N -1 0 387.411 3.043 20 30 GGEDRM CCn1c(=O)c2ccc(C(=O)N[C@H](C)c3ccc(C#N)cc3)cc2[n-]c1=S ZINC000121682178 1414222019 /nfs/dbraw/zinc/22/20/19/1414222019.db2.gz GDIZLCIPZSSROK-GFCCVEGCSA-N -1 0 378.457 3.068 20 30 GGEDRM CC(C)(C)Oc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)cc1 ZINC000121699237 1414228108 /nfs/dbraw/zinc/22/81/08/1414228108.db2.gz TWUHGWAAKXYWEF-UHFFFAOYSA-N -1 0 375.406 3.445 20 30 GGEDRM C[C@H](NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)c1ccc(C#N)cc1 ZINC000736103076 1428791007 /nfs/dbraw/zinc/79/10/07/1428791007.db2.gz VZODLWJTEQCPKF-HNNXBMFYSA-N -1 0 390.447 3.165 20 30 GGEDRM C=CCn1c(=O)c2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3)cc2[n-]c1=S ZINC000121723390 1414236366 /nfs/dbraw/zinc/23/63/66/1414236366.db2.gz GUILRIXQLWGRAM-UHFFFAOYSA-N -1 0 382.401 3.032 20 30 GGEDRM N#CC(C(=O)NC1CC1)=C([O-])c1csc(-c2ccc(Br)s2)n1 ZINC000121732894 1414239920 /nfs/dbraw/zinc/23/99/20/1414239920.db2.gz QAISRMXBUWPOJQ-MRVPVSSYSA-N -1 0 396.291 3.235 20 30 GGEDRM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(F)cc1OC(F)F ZINC000121739446 1414242194 /nfs/dbraw/zinc/24/21/94/1414242194.db2.gz QOWNQOYPDDYHAA-UHFFFAOYSA-N -1 0 387.295 3.008 20 30 GGEDRM COc1ccc(CCNC(=O)C(C#N)=C([O-])c2coc(-c3ccccc3)n2)cc1 ZINC000121817894 1414267693 /nfs/dbraw/zinc/26/76/93/1414267693.db2.gz KWBULOHKPVMXGK-GOSISDBHSA-N -1 0 389.411 3.032 20 30 GGEDRM N#Cc1ccc(Cc2cnc(NC(=O)c3ccc([N+](=O)[O-])c([O-])c3)s2)cc1 ZINC000121861531 1414282194 /nfs/dbraw/zinc/28/21/94/1414282194.db2.gz VNTJVIDIQBYKCK-UHFFFAOYSA-N -1 0 380.385 3.472 20 30 GGEDRM CC(C)c1ccc(C(=O)[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)cn1 ZINC000122096904 1414362193 /nfs/dbraw/zinc/36/21/93/1414362193.db2.gz MZYDNYROHJDYDZ-UHFFFAOYSA-N -1 0 397.378 3.214 20 30 GGEDRM CC[C@H](C#N)OC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)c(C)c1 ZINC000122182335 1414382147 /nfs/dbraw/zinc/38/21/47/1414382147.db2.gz CTWHIGMCJDJFAI-CYBMUJFWSA-N -1 0 376.409 3.394 20 30 GGEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)C1CCN(c2cnccn2)CC1 ZINC000177589819 1428804815 /nfs/dbraw/zinc/80/48/15/1428804815.db2.gz MZWLOSNOJRJPLT-QGZVFWFLSA-N -1 0 387.443 3.075 20 30 GGEDRM N#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccccc1OC(F)(F)F ZINC000122335728 1414427273 /nfs/dbraw/zinc/42/72/73/1414427273.db2.gz UMVBBEDAAMNGRB-UHFFFAOYSA-N -1 0 390.314 3.427 20 30 GGEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCCCc1cccc(F)c1 ZINC000735418511 1428807421 /nfs/dbraw/zinc/80/74/21/1428807421.db2.gz GFHZCAUEUUIKIX-UHFFFAOYSA-N -1 0 394.454 3.336 20 30 GGEDRM N#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000122352966 1414431960 /nfs/dbraw/zinc/43/19/60/1414431960.db2.gz PKGOIEXVPQAIPK-UHFFFAOYSA-N -1 0 385.760 3.090 20 30 GGEDRM CC(C)(C)[C@@H](C#N)NC(=O)Cc1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000122352343 1414431996 /nfs/dbraw/zinc/43/19/96/1414431996.db2.gz AGPDLGTWTVMUKB-OAHLLOKOSA-N -1 0 391.518 3.146 20 30 GGEDRM CC(C)c1ncc(C([O-])=C(C#N)c2nc(N)nc(Nc3ccccc3)n2)s1 ZINC000122370190 1414438051 /nfs/dbraw/zinc/43/80/51/1414438051.db2.gz YPEMJIZANYZVPW-LBPRGKRZSA-N -1 0 379.449 3.267 20 30 GGEDRM C=CCn1c(=O)c2ccc(C(=O)Nc3cnn(CCCC)c3C)cc2[n-]c1=S ZINC000122374481 1414438789 /nfs/dbraw/zinc/43/87/89/1414438789.db2.gz QVTBNKVGTVARPK-UHFFFAOYSA-N -1 0 397.504 3.429 20 30 GGEDRM N#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(F)c2ncccc12 ZINC000122382585 1414440875 /nfs/dbraw/zinc/44/08/75/1414440875.db2.gz OEGJGPMQOLNAIZ-UHFFFAOYSA-N -1 0 375.356 3.216 20 30 GGEDRM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc(F)cc2OCC#N)c1C ZINC000122380473 1414441296 /nfs/dbraw/zinc/44/12/96/1414441296.db2.gz CHYVTRNTTFYLDJ-UHFFFAOYSA-N -1 0 379.369 3.054 20 30 GGEDRM C[C@H](Cc1ccccc1F)C(=O)[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000122436613 1414459912 /nfs/dbraw/zinc/45/99/12/1414459912.db2.gz BXKGSVGZACLSHM-LLVKDONJSA-N -1 0 380.828 3.034 20 30 GGEDRM Cc1cc(S(=O)(=O)[N-]C(=O)c2cccc(CC#N)c2)sc1Br ZINC000177618791 1428812574 /nfs/dbraw/zinc/81/25/74/1428812574.db2.gz LTIWOWISZOHBGS-UHFFFAOYSA-N -1 0 399.291 3.004 20 30 GGEDRM Cn1ccnc1C([O-])=C(C#N)C(=O)CCCOc1cccc(Cl)c1Cl ZINC000122538794 1414493564 /nfs/dbraw/zinc/49/35/64/1414493564.db2.gz ROQIPLQDEYZNFD-LLVKDONJSA-N -1 0 380.231 3.478 20 30 GGEDRM C[C@H](C(=O)[N-]S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1)c1ccccc1 ZINC000122542367 1414495464 /nfs/dbraw/zinc/49/54/64/1414495464.db2.gz CCGNLCOZPAYWHY-NSHDSACASA-N -1 0 382.363 3.186 20 30 GGEDRM COc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)c(OC)c1 ZINC000177620057 1428813241 /nfs/dbraw/zinc/81/32/41/1428813241.db2.gz KFFNHLSHFBZPRV-UHFFFAOYSA-N -1 0 386.351 3.395 20 30 GGEDRM Cn1ccnc1C(=O)C(C#N)=C([O-])c1cccc(COc2cccc(F)c2)c1 ZINC000122635650 1414524962 /nfs/dbraw/zinc/52/49/62/1414524962.db2.gz MEVUZMZTCUQOAT-SFHVURJKSA-N -1 0 377.375 3.344 20 30 GGEDRM Cc1sc2ncnc(SCCC(=O)C(C#N)=C([O-])c3nccn3C)c2c1C ZINC000122659474 1414531688 /nfs/dbraw/zinc/53/16/88/1414531688.db2.gz REQQFQSJGRKGBP-GFCCVEGCSA-N -1 0 399.501 3.116 20 30 GGEDRM Cc1cc(Br)cc2cc(C([O-])=C(C#N)C(=O)N3CCCC3)oc21 ZINC000122672245 1414534231 /nfs/dbraw/zinc/53/42/31/1414534231.db2.gz VAYWQNXIWNRETH-ZDUSSCGKSA-N -1 0 375.222 3.449 20 30 GGEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)Cn1ccc(-c2cccs2)n1 ZINC000735425633 1428817167 /nfs/dbraw/zinc/81/71/67/1428817167.db2.gz CVKMJWBUOCHMLW-UHFFFAOYSA-N -1 0 377.477 3.437 20 30 GGEDRM Cc1nc(Cc2ccc(F)cc2)sc1C([O-])=C(C#N)C(=O)c1nccn1C ZINC000122774855 1414561360 /nfs/dbraw/zinc/56/13/60/1414561360.db2.gz NYLFDGQUZYAAAB-CQSZACIVSA-N -1 0 382.420 3.120 20 30 GGEDRM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)c(C#N)c2)c(Cl)cc1F ZINC000122791530 1414565533 /nfs/dbraw/zinc/56/55/33/1414565533.db2.gz QHCXIOGEHFGCOI-UHFFFAOYSA-N -1 0 386.763 3.077 20 30 GGEDRM CC(C)c1ccc(-c2noc(CCC(=O)C(C#N)=C([O-])c3nccn3C)n2)cc1 ZINC000122824970 1414574545 /nfs/dbraw/zinc/57/45/45/1414574545.db2.gz RAIZLRRZHVSEJK-INIZCTEOSA-N -1 0 391.431 3.118 20 30 GGEDRM CC(C)Oc1ccc(C#N)cc1NC(=O)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000122849199 1414579752 /nfs/dbraw/zinc/57/97/52/1414579752.db2.gz CWJGGLZLPAJSOL-UHFFFAOYSA-N -1 0 397.460 3.307 20 30 GGEDRM Cn1ccnc1C(=O)C(C#N)=C([O-])c1ccc(-c2ccc3c(c2)OCCO3)s1 ZINC000122849916 1414580534 /nfs/dbraw/zinc/58/05/34/1414580534.db2.gz QDPZFNPJKXOURF-ZDUSSCGKSA-N -1 0 393.424 3.125 20 30 GGEDRM CCCOc1c(Cl)cc(C([O-])=C(C#N)C(=O)c2nccn2C)cc1OC ZINC000122906327 1414593833 /nfs/dbraw/zinc/59/38/33/1414593833.db2.gz GBWBFURGBBLKPR-LBPRGKRZSA-N -1 0 375.812 3.076 20 30 GGEDRM Cn1ccnc1C([O-])=C(C#N)C(=O)CCc1cc(Cl)ccc1Br ZINC000122912021 1414595081 /nfs/dbraw/zinc/59/50/81/1414595081.db2.gz AVNKXRWFAICMGF-LBPRGKRZSA-N -1 0 394.656 3.360 20 30 GGEDRM CCn1ncc2c1nc(-c1ccccc1)cc2C([O-])=C(C#N)C(=O)c1nccn1C ZINC000123089702 1414638396 /nfs/dbraw/zinc/63/83/96/1414638396.db2.gz OJDCWRTUFWQFSF-INIZCTEOSA-N -1 0 398.426 3.057 20 30 GGEDRM Cn1ccnc1C([O-])=C(C#N)C(=O)Cc1csc(-c2ccccc2Cl)n1 ZINC000123188033 1414663940 /nfs/dbraw/zinc/66/39/40/1414663940.db2.gz ZTZLLHFSBJMHGH-ZDUSSCGKSA-N -1 0 384.848 3.331 20 30 GGEDRM COc1cc(C([O-])=C(C#N)C(=O)c2nccn2C)ccc1OCc1ccccc1 ZINC000123199941 1414666483 /nfs/dbraw/zinc/66/64/83/1414666483.db2.gz SPEQHOVDVINSQU-KRWDZBQOSA-N -1 0 389.411 3.213 20 30 GGEDRM Cc1ccc(C([O-])=C(C#N)C(=O)c2nccn2C)cc1NC(=O)c1ccccc1 ZINC000123201645 1414666915 /nfs/dbraw/zinc/66/69/15/1414666915.db2.gz JSHZHDMFYQGZIO-QGZVFWFLSA-N -1 0 386.411 3.186 20 30 GGEDRM Cc1[nH]c2ccc(Br)cc2c1CC(=O)C(C#N)=C([O-])c1nccn1C ZINC000123213919 1414669803 /nfs/dbraw/zinc/66/98/03/1414669803.db2.gz BNTMVHXMORPDTI-AWEZNQCLSA-N -1 0 399.248 3.107 20 30 GGEDRM Cn1ccnc1C(=O)C(C#N)=C([O-])c1ccn(-c2ccc(Cl)c(Cl)c2)n1 ZINC000123232027 1414674150 /nfs/dbraw/zinc/67/41/50/1414674150.db2.gz WOGVJAMHCKOZGC-LLVKDONJSA-N -1 0 388.214 3.118 20 30 GGEDRM Cn1ccnc1C(=O)C(C#N)=C([O-])c1cccc(COc2cccc(C#N)c2)c1 ZINC000123236884 1414675419 /nfs/dbraw/zinc/67/54/19/1414675419.db2.gz JRHDYINMKRRGIF-IBGZPJMESA-N -1 0 384.395 3.076 20 30 GGEDRM COc1ccc(-n2c(C)cc(C([O-])=C(C#N)C(=O)c3nccn3C)c2C)cc1 ZINC000123297769 1414690663 /nfs/dbraw/zinc/69/06/63/1414690663.db2.gz RUAJHRNRKZSZFV-GOSISDBHSA-N -1 0 376.416 3.042 20 30 GGEDRM Cc1cc(C([O-])=C(C#N)C(=O)c2nccn2C)cc(C)c1OCc1cccnc1 ZINC000123304834 1414692433 /nfs/dbraw/zinc/69/24/33/1414692433.db2.gz WBMRPZUPQNJRHO-GOSISDBHSA-N -1 0 388.427 3.216 20 30 GGEDRM Cc1cc(C([O-])=C(C#N)C(=O)c2nccn2C)cc(C)c1OCc1cccnc1 ZINC000123305069 1414692664 /nfs/dbraw/zinc/69/26/64/1414692664.db2.gz WBMRPZUPQNJRHO-SFHVURJKSA-N -1 0 388.427 3.216 20 30 GGEDRM Cn1ccnc1C(=O)C(C#N)=C([O-])c1cnn(-c2ccc(Cl)cc2Cl)c1 ZINC000123324572 1414697036 /nfs/dbraw/zinc/69/70/36/1414697036.db2.gz VMSDAYDXNXBVPQ-LBPRGKRZSA-N -1 0 388.214 3.118 20 30 GGEDRM C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)C(C#N)=C([O-])c1nccn1C ZINC000123379671 1414711432 /nfs/dbraw/zinc/71/14/32/1414711432.db2.gz HGOURYPIOSCEFY-CMPLNLGQSA-N -1 0 392.228 3.092 20 30 GGEDRM N#Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccccc2Br)cc1Cl ZINC000123719714 1414814850 /nfs/dbraw/zinc/81/48/50/1414814850.db2.gz BMENMVNQGKQINB-UHFFFAOYSA-N -1 0 399.653 3.093 20 30 GGEDRM Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)N[C@H](C)c1ccc(C#N)cc1 ZINC000123720339 1414815272 /nfs/dbraw/zinc/81/52/72/1414815272.db2.gz JZXJYWRDOSOZGO-LLVKDONJSA-N -1 0 378.837 3.258 20 30 GGEDRM Cc1cc(O)c(C(C)C)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1[N+](=O)[O-] ZINC000123906116 1414847504 /nfs/dbraw/zinc/84/75/04/1414847504.db2.gz VBVLXUVKYRNXJZ-UHFFFAOYSA-N -1 0 375.406 3.405 20 30 GGEDRM C[C@H]([N-]S(=O)(=O)c1ccc(F)cc1C#N)c1nc(C2CCCCC2)no1 ZINC000123910264 1414847876 /nfs/dbraw/zinc/84/78/76/1414847876.db2.gz YKXDQPOOYVJGDN-NSHDSACASA-N -1 0 378.429 3.168 20 30 GGEDRM Cc1csc(-c2cccc(C([O-])=C(C#N)C(=O)NCCCOC(C)C)c2)n1 ZINC000123910820 1414847955 /nfs/dbraw/zinc/84/79/55/1414847955.db2.gz XWWKWBXHEJFGRD-KRWDZBQOSA-N -1 0 385.489 3.372 20 30 GGEDRM Cc1nc(SCC(=O)Nc2cccc(-c3nn[n-]n3)c2C)c(C#N)c(C)c1C ZINC000822454583 1428844988 /nfs/dbraw/zinc/84/49/88/1428844988.db2.gz YHPNIGAVDOHGAI-UHFFFAOYSA-N -1 0 393.476 3.098 20 30 GGEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1cc(C)n(-c2cccc(C)c2)c1C ZINC000124202651 1414907164 /nfs/dbraw/zinc/90/71/64/1414907164.db2.gz SSXGSRNTCAAFKM-FQEVSTJZSA-N -1 0 381.476 3.268 20 30 GGEDRM Cc1cccc([C@H](C)C(=O)[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)c1 ZINC000124294106 1414931476 /nfs/dbraw/zinc/93/14/76/1414931476.db2.gz NJBCMPDNSPYNAE-LBPRGKRZSA-N -1 0 396.390 3.494 20 30 GGEDRM CC(C)c1csc(C(C#N)=C([O-])c2cc(C(N)=O)n(-c3ccccc3)n2)n1 ZINC000177746503 1428848752 /nfs/dbraw/zinc/84/87/52/1428848752.db2.gz YDZCKPMETSNAGL-CYBMUJFWSA-N -1 0 379.445 3.041 20 30 GGEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000124300697 1414933835 /nfs/dbraw/zinc/93/38/35/1414933835.db2.gz VTMIZYYYIJRTJU-LJQANCHMSA-N -1 0 385.439 3.099 20 30 GGEDRM N#Cc1cc(F)c(S(=O)(=O)[N-]CCCCOCCc2ccccc2)c(F)c1 ZINC000124303576 1414934149 /nfs/dbraw/zinc/93/41/49/1414934149.db2.gz AEZCPOKIDRPFMH-UHFFFAOYSA-N -1 0 394.443 3.154 20 30 GGEDRM C=C1CCN(CC(=O)Nc2c(-c3nn[n-]n3)c(C)c(C)n2C2CCCCC2)CC1 ZINC000735402467 1428851645 /nfs/dbraw/zinc/85/16/45/1428851645.db2.gz BLBIMMDDJYIKOH-UHFFFAOYSA-N -1 0 397.527 3.381 20 30 GGEDRM COc1cc(C([O-])=C(C#N)C(=O)N2CCCC2)ccc1OCc1ccccc1 ZINC000124452531 1414972247 /nfs/dbraw/zinc/97/22/47/1414972247.db2.gz SCYPLOXWSAWLFX-SFHVURJKSA-N -1 0 378.428 3.219 20 30 GGEDRM Cc1csc(-c2cccc(C(=O)[N-]S(=O)(=O)Cc3cccc(C#N)c3)c2)n1 ZINC000124520976 1414986543 /nfs/dbraw/zinc/98/65/43/1414986543.db2.gz OLKTUUDEXZBXCX-UHFFFAOYSA-N -1 0 397.481 3.250 20 30 GGEDRM COc1ccc(CCNC(=O)C(C#N)=C([O-])c2cncc(-c3ccccc3)c2)cc1 ZINC000124593768 1415001710 /nfs/dbraw/zinc/00/17/10/1415001710.db2.gz YIHRDANQBGWTKT-QFIPXVFZSA-N -1 0 399.450 3.439 20 30 GGEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O ZINC000124740853 1415033253 /nfs/dbraw/zinc/03/32/53/1415033253.db2.gz GXBLSOSXLJFDQC-WOJBJXKFSA-N -1 0 388.423 3.086 20 30 GGEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000124743625 1415034263 /nfs/dbraw/zinc/03/42/63/1415034263.db2.gz BJDHVCGOOWGQGI-GOSISDBHSA-N -1 0 376.416 3.275 20 30 GGEDRM Cc1c(C([O-])=C(C#N)C(=O)N2CCCC2)cnn1-c1cccc(C(F)(F)F)c1 ZINC000124785599 1415043683 /nfs/dbraw/zinc/04/36/83/1415043683.db2.gz ZYKCRFRTIULOSP-HNNXBMFYSA-N -1 0 390.365 3.144 20 30 GGEDRM Cc1cc(NC(=O)c2cccc(F)c2)sc1C([O-])=C(C#N)C(=O)N1CCCC1 ZINC000124824159 1415053014 /nfs/dbraw/zinc/05/30/14/1415053014.db2.gz PPOMMPPMRLFRIN-OAHLLOKOSA-N -1 0 399.447 3.393 20 30 GGEDRM CCOc1ccc(-c2nc(C)c(C([O-])=C(C#N)C(=O)N3CCCC3)s2)cc1 ZINC000124879702 1415065707 /nfs/dbraw/zinc/06/57/07/1415065707.db2.gz SKPKKYIROZDWMG-MRXNPFEDSA-N -1 0 383.473 3.462 20 30 GGEDRM CC(C)[C@@H](Oc1ccccc1C#N)C(=O)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000124992029 1415088324 /nfs/dbraw/zinc/08/83/24/1415088324.db2.gz DDPSDNATRZMTOD-OAHLLOKOSA-N -1 0 398.893 3.182 20 30 GGEDRM Cn1ccnc1SCc1ccc(C([O-])=C(C#N)c2nnc3n2CCCCC3)o1 ZINC000125009690 1415091240 /nfs/dbraw/zinc/09/12/40/1415091240.db2.gz BGSBRPVCSNFOOY-CQSZACIVSA-N -1 0 396.476 3.113 20 30 GGEDRM COCCCNC(=O)C(C#N)=C([O-])c1ccc(-c2nc3ccccc3s2)o1 ZINC000125013220 1415091700 /nfs/dbraw/zinc/09/17/00/1415091700.db2.gz JLJRBWOQCLKAAR-GFCCVEGCSA-N -1 0 383.429 3.031 20 30 GGEDRM COCCCNC(=O)C(C#N)=C([O-])c1cc2c(s1)CC[C@H](C(C)(C)C)C2 ZINC000125011919 1415091881 /nfs/dbraw/zinc/09/18/81/1415091881.db2.gz YIWIWFPWGSHEMU-LSDHHAIUSA-N -1 0 376.522 3.374 20 30 GGEDRM COCCCNC(=O)C(C#N)=C([O-])c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000125102241 1415109072 /nfs/dbraw/zinc/10/90/72/1415109072.db2.gz TVAOFBMODYOZRR-LBPRGKRZSA-N -1 0 396.287 3.199 20 30 GGEDRM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1F ZINC000125254794 1415143803 /nfs/dbraw/zinc/14/38/03/1415143803.db2.gz NGAPVTSMIIHYIG-UHFFFAOYSA-N -1 0 378.385 3.147 20 30 GGEDRM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cnn(-c2ccccc2F)c1 ZINC000125320984 1415163811 /nfs/dbraw/zinc/16/38/11/1415163811.db2.gz PNEDCEKLOOFDTA-UHFFFAOYSA-N -1 0 385.424 3.116 20 30 GGEDRM N#Cc1cc(NC(=O)c2ccc(C#Cc3ccccc3)cc2)ccc1-c1nn[n-]n1 ZINC000737708808 1428872586 /nfs/dbraw/zinc/87/25/86/1428872586.db2.gz JBQIHEOVMKTVOA-UHFFFAOYSA-N -1 0 390.406 3.390 20 30 GGEDRM CC(C)OCCCNC(=O)C(C#N)=C([O-])c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000125446765 1415201321 /nfs/dbraw/zinc/20/13/21/1415201321.db2.gz XSKBYLCZVJSEHJ-GOSISDBHSA-N -1 0 381.476 3.300 20 30 GGEDRM Cc1cc(C([O-])=C(C#N)C(=O)NCCCOC(C)C)c(C)n1Cc1ccccc1 ZINC000125477244 1415210375 /nfs/dbraw/zinc/21/03/75/1415210375.db2.gz PTAMEVCUEFZUBI-NRFANRHFSA-N -1 0 395.503 3.407 20 30 GGEDRM Cc1cc(C([O-])=C(C#N)C(=O)NCCCOC(C)C)c(C)n1-c1ccc(F)cc1 ZINC000125506542 1415216143 /nfs/dbraw/zinc/21/61/43/1415216143.db2.gz FOBPCBKOEKFTBQ-FQEVSTJZSA-N -1 0 399.466 3.487 20 30 GGEDRM CC(C)OCCCNC(=O)C(C#N)=C([O-])c1csc(-c2cccs2)n1 ZINC000125518151 1415219100 /nfs/dbraw/zinc/21/91/00/1415219100.db2.gz KWUZBTDHEJCQOG-GFCCVEGCSA-N -1 0 377.491 3.125 20 30 GGEDRM CC(C)NC(=O)C(C#N)=C([O-])c1csc(-c2cc(Br)cs2)n1 ZINC000125603579 1415236037 /nfs/dbraw/zinc/23/60/37/1415236037.db2.gz VARXQKPKTONOSV-SECBINFHSA-N -1 0 398.307 3.481 20 30 GGEDRM CC1=CC(=O)C(=C([O-])C=Cc2cn(-c3ccccc3)nc2-c2ccncc2)C(=O)O1 ZINC000125861191 1415299050 /nfs/dbraw/zinc/29/90/50/1415299050.db2.gz HYBOIXDDKKYXEI-QQUYBBDPSA-N -1 0 399.406 3.163 20 30 GGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000126020751 1415338712 /nfs/dbraw/zinc/33/87/12/1415338712.db2.gz CUVHPJXROGSSRB-LBPRGKRZSA-N -1 0 396.241 3.295 20 30 GGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ncccc2OC(F)F)cc1C(F)(F)F ZINC000177924107 1428892797 /nfs/dbraw/zinc/89/27/97/1428892797.db2.gz FZLOMFYKHSYTDG-UHFFFAOYSA-N -1 0 393.293 3.374 20 30 GGEDRM Cn1c2ccc(F)cc2nc1[N-]S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000177927015 1428893673 /nfs/dbraw/zinc/89/36/73/1428893673.db2.gz SUDHGZQGYDWKDB-UHFFFAOYSA-N -1 0 398.341 3.404 20 30 GGEDRM C[C@@H](NC(=O)N(Cc1ccc(C#N)cc1)C1CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736112069 1428894057 /nfs/dbraw/zinc/89/40/57/1428894057.db2.gz PEEAUEGQWDDZSA-CQSZACIVSA-N -1 0 387.447 3.174 20 30 GGEDRM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NCC#N)c(Cl)cc2Cl)c1 ZINC000126517644 1415476290 /nfs/dbraw/zinc/47/62/90/1415476290.db2.gz OUCVOEZHSBQLSI-UHFFFAOYSA-N -1 0 398.271 3.356 20 30 GGEDRM Cc1c(C(=O)C=Cc2ccccc2-c2nn[n-]n2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000826234302 1428926707 /nfs/dbraw/zinc/92/67/07/1428926707.db2.gz POJWBRNHWKTQKF-FPLPWBNLSA-N -1 0 394.347 3.196 20 30 GGEDRM CCOc1c(Cl)cc(C([O-])=C(C#N)C(=O)NCc2ccccc2)cc1OC ZINC000126693306 1415528049 /nfs/dbraw/zinc/52/80/49/1415528049.db2.gz GZLVQTOFSUJHRQ-HNNXBMFYSA-N -1 0 386.835 3.386 20 30 GGEDRM CCOc1c(Cl)cc(C([O-])=C(C#N)C(=O)NCc2ccccc2)cc1OC ZINC000126693070 1415528152 /nfs/dbraw/zinc/52/81/52/1415528152.db2.gz GZLVQTOFSUJHRQ-OAHLLOKOSA-N -1 0 386.835 3.386 20 30 GGEDRM CC(C)[C@](C)(C#N)NC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000735691342 1428944248 /nfs/dbraw/zinc/94/42/48/1428944248.db2.gz PGPMKAOGXOGIOI-NRFANRHFSA-N -1 0 390.447 3.114 20 30 GGEDRM Cc1cc(-n2c(C)cc(C([O-])=C(C#N)C(=O)NCc3ccccc3)c2C)no1 ZINC000126750865 1415547482 /nfs/dbraw/zinc/54/74/82/1415547482.db2.gz GWZLCUHFPRIGHT-GOSISDBHSA-N -1 0 376.416 3.029 20 30 GGEDRM Cc1coc(-c2cccc([N-]S(=O)(=O)c3ccc(C#N)cc3[N+](=O)[O-])c2)n1 ZINC000126817275 1415569208 /nfs/dbraw/zinc/56/92/08/1415569208.db2.gz AFTVHSUKAHBHOJ-UHFFFAOYSA-N -1 0 384.373 3.231 20 30 GGEDRM C[C@@H]1CCc2c(sc(NC(=O)c3ccc(CC#N)cc3)c2-c2nnn[n-]2)C1 ZINC000824969008 1428952570 /nfs/dbraw/zinc/95/25/70/1428952570.db2.gz SAVJTOPIRKJFHO-LLVKDONJSA-N -1 0 378.461 3.371 20 30 GGEDRM CC(C)Oc1ccc(NC(=O)c2c(F)cc(C#N)cc2F)cc1-c1nn[n-]n1 ZINC000820170204 1428953979 /nfs/dbraw/zinc/95/39/79/1428953979.db2.gz ULBPRUOCHWRPHD-UHFFFAOYSA-N -1 0 384.346 3.056 20 30 GGEDRM N#CC(C(=O)NCc1ccccc1)=C([O-])c1cc(-c2ccccc2Cl)[nH]n1 ZINC000126899703 1415599269 /nfs/dbraw/zinc/59/92/69/1415599269.db2.gz WRPUBFYVBIQRBP-HNNXBMFYSA-N -1 0 378.819 3.369 20 30 GGEDRM Cc1ccc(-n2nc(C([O-])=C(C#N)C(=O)NCc3ccccc3)c3c2CCC3)cc1 ZINC000126929865 1415611843 /nfs/dbraw/zinc/61/18/43/1415611843.db2.gz MTESEIWJOULKLF-FQEVSTJZSA-N -1 0 398.466 3.308 20 30 GGEDRM CC(C)Oc1ccc(NC(=O)N(C)Cc2nc(=O)c3sccc3[n-]2)cc1C#N ZINC000127125052 1415664981 /nfs/dbraw/zinc/66/49/81/1415664981.db2.gz FNOPYEUXHVELFK-UHFFFAOYSA-N -1 0 397.460 3.307 20 30 GGEDRM Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)c(C)c1 ZINC000127475465 1415794378 /nfs/dbraw/zinc/79/43/78/1415794378.db2.gz ASLXMEWRHJVBAS-UHFFFAOYSA-N -1 0 382.363 3.313 20 30 GGEDRM N#CC(C(=O)NCc1ccccc1)=C([O-])c1ccn(-c2ccccc2Cl)n1 ZINC000127648636 1415825847 /nfs/dbraw/zinc/82/58/47/1415825847.db2.gz GUBARWITXWLDGC-OAHLLOKOSA-N -1 0 378.819 3.165 20 30 GGEDRM N#Cc1ccccc1-c1ccc(CNC(=O)c2cc(-c3nn[n-]n3)cs2)cc1 ZINC000826387215 1429005833 /nfs/dbraw/zinc/00/58/33/1429005833.db2.gz KVCJXHHRUFJUEZ-UHFFFAOYSA-N -1 0 386.440 3.397 20 30 GGEDRM CCCC(CCC)C(=O)[N-]S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000127795675 1415852155 /nfs/dbraw/zinc/85/21/55/1415852155.db2.gz FWWWDNPJLZDPFB-UHFFFAOYSA-N -1 0 387.299 3.342 20 30 GGEDRM Cc1c(C(=O)C=Cc2cccc(-c3nn[n-]n3)c2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000737202139 1429005079 /nfs/dbraw/zinc/00/50/79/1429005079.db2.gz KPVAKMJWRAWNFF-SREVYHEPSA-N -1 0 394.347 3.196 20 30 GGEDRM CN(Cc1ccc(-c2nnn[n-]2)cc1)c1c(C#N)cnc2c(F)cc(F)cc21 ZINC000736818664 1429030626 /nfs/dbraw/zinc/03/06/26/1429030626.db2.gz UAAZGKFCMARVKK-UHFFFAOYSA-N -1 0 377.358 3.201 20 30 GGEDRM COc1ccc(CCNC(=O)C(C#N)=C([O-])c2cc(C)c(C)s2)cc1OC ZINC000128863339 1416087512 /nfs/dbraw/zinc/08/75/12/1416087512.db2.gz YDMNKYBRCHZPNW-OAHLLOKOSA-N -1 0 386.473 3.064 20 30 GGEDRM CCC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)c1 ZINC000128930562 1416105697 /nfs/dbraw/zinc/10/56/97/1416105697.db2.gz OEGVGBYGULBVTP-UHFFFAOYSA-N -1 0 379.388 3.294 20 30 GGEDRM N#Cc1ccccc1Oc1ccccc1C(=O)Nc1cc(-c2nnn[n-]2)ccc1O ZINC000826387308 1429059411 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C=CCn1c(=O)c2ccccc2nc1SCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000819766234 1425862414 /nfs/dbraw/zinc/86/24/14/1425862414.db2.gz WEYZDGUUIFGWKW-UHFFFAOYSA-N -1 0 394.435 3.194 20 30 GGEDRM C[C@@H](CC#N)N(C)C(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000735963113 1425908498 /nfs/dbraw/zinc/90/84/98/1425908498.db2.gz ALAPOHZZWBRYBF-LBPRGKRZSA-N -1 0 380.383 3.172 20 30 GGEDRM Cc1cc(S(=O)(=O)[N-]c2cc(C#N)ccc2OC(F)F)ccc1[N+](=O)[O-] ZINC000172183855 1425937299 /nfs/dbraw/zinc/93/72/99/1425937299.db2.gz PPMPDPGHFASBLT-UHFFFAOYSA-N -1 0 383.332 3.177 20 30 GGEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C=C(C)c1ccccc1OC ZINC000735418532 1425975220 /nfs/dbraw/zinc/97/52/20/1425975220.db2.gz FAMFQVBSPYSZFZ-SSZFMOIBSA-N -1 0 389.459 3.493 20 30 GGEDRM N#Cc1c(F)cccc1N1CCN(C(=O)c2ccc3[n-]c(=S)oc3c2)CC1 ZINC000172323398 1425998438 /nfs/dbraw/zinc/99/84/38/1425998438.db2.gz TWHRIUDFQUWDFC-UHFFFAOYSA-N -1 0 382.420 3.090 20 30 GGEDRM C#CCOc1ccccc1C=NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000735388188 1426016471 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379.767 3.021 20 30 GGEDRM C=CCn1c(=O)c2ccc(C(=O)N[C@@H](C)CC(C)(C)OC)cc2[n-]c1=S ZINC000174140086 1427018513 /nfs/dbraw/zinc/01/85/13/1427018513.db2.gz RQFLHCRKVUZXTP-LBPRGKRZSA-N -1 0 375.494 3.178 20 30 GGEDRM N#Cc1ccc(Oc2ccc(OC(=O)c3ccc(-c4nn[n-]n4)cn3)cc2)cc1 ZINC000822832723 1427021278 /nfs/dbraw/zinc/02/12/78/1427021278.db2.gz FLBCVJYQNWNEBJ-UHFFFAOYSA-N -1 0 384.355 3.145 20 30 GGEDRM C=CCn1c(=O)c2ccc(C(=O)N3CCS[C@H](C(C)C)C3)cc2[n-]c1=S ZINC000174287011 1427085789 /nfs/dbraw/zinc/08/57/89/1427085789.db2.gz DCKOLFIZABFAPO-INIZCTEOSA-N -1 0 389.546 3.085 20 30 GGEDRM Cc1cccnc1C(=O)[C@H](C#N)c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000822366836 1427218875 /nfs/dbraw/zinc/21/88/75/1427218875.db2.gz VGGDTAKGZKDOAZ-AWEZNQCLSA-N -1 0 387.428 3.184 20 30 GGEDRM C(=NNc1ccc(-c2nn[n-]n2)cc1)c1csc(-c2ccc3c(c2)OCO3)n1 ZINC000735399099 1427225963 /nfs/dbraw/zinc/22/59/63/1427225963.db2.gz IKXDVMCNSUVHOC-UHFFFAOYSA-N -1 0 391.416 3.165 20 30 GGEDRM N#Cc1csc(C(=O)NCc2cccc(-c3ccc(-c4nn[n-]n4)s3)c2)c1 ZINC000822842309 1427227530 /nfs/dbraw/zinc/22/75/30/1427227530.db2.gz BFUVTZSDABIHRY-UHFFFAOYSA-N -1 0 392.469 3.458 20 30 GGEDRM Cc1ccc([C@H]2OCCC[C@H]2C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1 ZINC000822233681 1427228431 /nfs/dbraw/zinc/22/84/31/1427228431.db2.gz SSNGMACDGDFCEW-RTBURBONSA-N -1 0 388.431 3.153 20 30 GGEDRM COc1cc(C#N)ccc1CSc1nc2c(c(C)c1-c1nn[n-]n1)CCC2 ZINC000826176743 1427246298 /nfs/dbraw/zinc/24/62/98/1427246298.db2.gz BJEIJJWZAOZLJI-UHFFFAOYSA-N -1 0 378.461 3.231 20 30 GGEDRM C[C@@H](OC(=O)[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)cc1)c1ccc(C#N)cc1 ZINC000820486609 1427285409 /nfs/dbraw/zinc/28/54/09/1427285409.db2.gz BXYWSINCZVWDBX-KUHUBIRLSA-N -1 0 388.431 3.012 20 30 GGEDRM C[C@@H](CSc1ccc(F)cc1)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000820294521 1427310026 /nfs/dbraw/zinc/31/00/26/1427310026.db2.gz UGVQCNWPGXQFAH-NSHDSACASA-N -1 0 382.424 3.244 20 30 GGEDRM N#Cc1ccc([N-]S(=O)(=O)c2cc(F)ccc2[N+](=O)[O-])cc1C(F)(F)F 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CMCZOVRKXHVOAZ-UHFFFAOYSA-N -1 0 384.461 3.273 20 30 GGEDRM COc1nc2ccccc2cc1C=CC(=O)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826221513 1427506266 /nfs/dbraw/zinc/50/62/66/1427506266.db2.gz JGRPHPVDDIGKCF-CLFYSBASSA-N -1 0 375.363 3.459 20 30 GGEDRM C[C@H](CC#N)Sc1ccccc1NC(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC000735973370 1427533599 /nfs/dbraw/zinc/53/35/99/1427533599.db2.gz GPDHQTPFUPZSAK-CYBMUJFWSA-N -1 0 394.460 3.278 20 30 GGEDRM Cn1cc(C=NNc2cccc(Cl)c2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826360384 1427535436 /nfs/dbraw/zinc/53/54/36/1427535436.db2.gz INZXDCBQCDPVQI-UHFFFAOYSA-N -1 0 378.827 3.367 20 30 GGEDRM Cc1sc2ncnc(N=NC(C)c3ccc(-c4nn[n-]n4)c(F)c3)c2c1C ZINC000823962174 1427543941 /nfs/dbraw/zinc/54/39/41/1427543941.db2.gz HBHWNGDXQSDHDG-UHFFFAOYSA-N -1 0 382.428 3.463 20 30 GGEDRM N#Cc1c2c(sc1NC(=O)CSc1ccc(-c3nn[n-]n3)cc1)CCC2 ZINC000737705560 1427550529 /nfs/dbraw/zinc/55/05/29/1427550529.db2.gz PQQVRACFAXIIEO-UHFFFAOYSA-N -1 0 382.474 3.019 20 30 GGEDRM Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)c(F)c1 ZINC000175130765 1427561221 /nfs/dbraw/zinc/56/12/21/1427561221.db2.gz TWZJZSJSJOFOII-UHFFFAOYSA-N -1 0 386.326 3.143 20 30 GGEDRM CC(C)c1nc(-c2nn[n-]n2)c(N=NC(C)c2c(Cl)nc3ccccn32)o1 ZINC000735451113 1427568261 /nfs/dbraw/zinc/56/82/61/1427568261.db2.gz PEASYXAEJRVJEE-UHFFFAOYSA-N -1 0 385.819 3.115 20 30 GGEDRM CCOC(=O)c1ccc(-c2nn[n-]n2)c(SCC#Cc2ccc(Cl)cc2)n1 ZINC000821343837 1427570540 /nfs/dbraw/zinc/57/05/40/1427570540.db2.gz VPSPYYALGQRWQN-UHFFFAOYSA-N -1 0 399.863 3.236 20 30 GGEDRM COc1ccc([C@H](C)CC(=O)[N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)cc1 ZINC000175152576 1427570756 /nfs/dbraw/zinc/57/07/56/1427570756.db2.gz VWMCPCKPBZDDKU-GFCCVEGCSA-N -1 0 392.864 3.219 20 30 GGEDRM CC[C@@H](Oc1cccc(C)c1)C(=O)[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000175152538 1427570907 /nfs/dbraw/zinc/57/09/07/1427570907.db2.gz HNPKXETWUWUPCN-QGZVFWFLSA-N -1 0 392.864 3.183 20 30 GGEDRM C=CCCC(=O)COC(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000823888463 1427571082 /nfs/dbraw/zinc/57/10/82/1427571082.db2.gz NEJNHAVCGQQMQG-UHFFFAOYSA-N -1 0 392.415 3.138 20 30 GGEDRM CC(C)c1ccccc1OCCC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000824352776 1427582905 /nfs/dbraw/zinc/58/29/05/1427582905.db2.gz MUZMSIJJLILNQG-UHFFFAOYSA-N -1 0 376.420 3.269 20 30 GGEDRM C=CC1CCN(C(=O)c2cc([N-]S(=O)(=O)c3cccs3)ccc2O)CC1 ZINC000175227468 1427613535 /nfs/dbraw/zinc/61/35/35/1427613535.db2.gz HGHYIAMHRVSXOJ-UHFFFAOYSA-N -1 0 392.502 3.293 20 30 GGEDRM CCCCCCC[C@@H](C)CNC(=O)C(=O)Nc1cccc(C)c1-c1nn[n-]n1 ZINC000821049260 1427643691 /nfs/dbraw/zinc/64/36/91/1427643691.db2.gz JQTOSIVODWQDKV-CQSZACIVSA-N -1 0 386.500 3.226 20 30 GGEDRM C=CCOc1ccc(-c2nnc(SCc3ccnc(-c4nn[n-]n4)c3)o2)cc1 ZINC000823932195 1427646702 /nfs/dbraw/zinc/64/67/02/1427646702.db2.gz RRXHMXHMIMVOCL-UHFFFAOYSA-N -1 0 393.432 3.169 20 30 GGEDRM CCCCCCCCCC(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000736446402 1427650019 /nfs/dbraw/zinc/65/00/19/1427650019.db2.gz AQFKSJZHXLFRMQ-UHFFFAOYSA-N -1 0 399.543 3.487 20 30 GGEDRM CCN(C(=O)Cn1c(=O)c2ccccc2[n-]c1=S)[C@H](C)c1ccc(C#N)cc1 ZINC000175374284 1427717273 /nfs/dbraw/zinc/71/72/73/1427717273.db2.gz RKWQZOZCHBDTGH-CQSZACIVSA-N -1 0 392.484 3.167 20 30 GGEDRM CC(C)(C#N)c1ccccc1COC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000819891980 1427768595 /nfs/dbraw/zinc/76/85/95/1427768595.db2.gz OKZCWOWEXVGJCP-UHFFFAOYSA-N -1 0 375.432 3.344 20 30 GGEDRM C=CCn1c(=O)c2ccc(C(=O)Nc3nc(C)ccc3OC)cc2[n-]c1=S ZINC000175524022 1427803262 /nfs/dbraw/zinc/80/32/62/1427803262.db2.gz MHQPQXWCWJJHCI-UHFFFAOYSA-N -1 0 382.445 3.209 20 30 GGEDRM CC(C)(C#N)c1ccccc1CN1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824059483 1427855167 /nfs/dbraw/zinc/85/51/67/1427855167.db2.gz XLPBOGLVEVWXLS-HXUWFJFHSA-N -1 0 388.475 3.241 20 30 GGEDRM Cc1c(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)nnn1-c1ccc(C)cc1 ZINC000826281076 1427856218 /nfs/dbraw/zinc/85/62/18/1427856218.db2.gz CNJRPDLJVFOSIN-POHAHGRESA-N -1 0 389.394 3.099 20 30 GGEDRM O=C(CSc1n[n-]c(=S)s1)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000175711213 1427866907 /nfs/dbraw/zinc/86/69/07/1427866907.db2.gz AMBFFRWMDCDWLJ-UHFFFAOYSA-N -1 0 389.449 3.479 20 30 GGEDRM C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000819745533 1427868849 /nfs/dbraw/zinc/86/88/49/1427868849.db2.gz HVLNJLRGLNNWIB-HNNXBMFYSA-N -1 0 387.447 3.197 20 30 GGEDRM N#C[C@@H](C(=O)NC1CCCCC1)c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000826379310 1427950355 /nfs/dbraw/zinc/95/03/55/1427950355.db2.gz OLQGAMUSYWSEAB-HNNXBMFYSA-N -1 0 393.476 3.046 20 30 GGEDRM Cc1cc(Cl)cc2c1OCC(=Cc1cnc3ccc(-c4nn[n-]n4)cn13)C2=O ZINC000737265819 1427970803 /nfs/dbraw/zinc/97/08/03/1427970803.db2.gz ZVFPUHQLXAEDSH-XGICHPGQSA-N -1 0 392.806 3.135 20 30 GGEDRM CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000735874198 1427978427 /nfs/dbraw/zinc/97/84/27/1427978427.db2.gz OHPKNCBOTHHMRP-UHFFFAOYSA-N -1 0 379.399 3.320 20 30 GGEDRM Cc1c(C(=O)C=Cc2ccccc2-c2nn[n-]n2)cnn1-c1ccc(C#N)cc1 ZINC000826234137 1427990069 /nfs/dbraw/zinc/99/00/69/1427990069.db2.gz JMIBXLYJZVEJOR-DHZHZOJOSA-N -1 0 381.399 3.129 20 30 GGEDRM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)Nc2ncccc2OCCCC#N)n1 ZINC000175953249 1427994041 /nfs/dbraw/zinc/99/40/41/1427994041.db2.gz LNEVZIMWOOABHG-UHFFFAOYSA-N -1 0 395.394 3.355 20 30 GGEDRM C#CC[C@H](NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)c1ccccc1 ZINC000823838768 1428046683 /nfs/dbraw/zinc/04/66/83/1428046683.db2.gz UJGHDWMCBPWGBK-AWEZNQCLSA-N -1 0 398.373 3.354 20 30 GGEDRM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=S)Nc1ccc(C#N)c(Cl)c1 ZINC000736822415 1428062438 /nfs/dbraw/zinc/06/24/38/1428062438.db2.gz NBBXDIUXRJUCML-UHFFFAOYSA-N -1 0 383.868 3.221 20 30 GGEDRM Cc1nc(-c2nn[n-]n2)c(N=NCc2cn(-c3ccccc3)nc2C(C)(C)C)o1 ZINC000822424482 1428074469 /nfs/dbraw/zinc/07/44/69/1428074469.db2.gz VTLVKBLSRGIDPE-UHFFFAOYSA-N -1 0 391.439 3.092 20 30 GGEDRM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000822218103 1428092215 /nfs/dbraw/zinc/09/22/15/1428092215.db2.gz XGNBARXVGYGGIW-HKUYNNGSSA-N -1 0 387.447 3.479 20 30 GGEDRM Cc1nn(-c2ccc(-c3nn[n-]n3)cc2)c(NC(=O)c2ccc(C#N)cc2C)c1C ZINC000826257045 1428137491 /nfs/dbraw/zinc/13/74/91/1428137491.db2.gz LLKIKNPSBQULEL-UHFFFAOYSA-N -1 0 398.430 3.102 20 30 GGEDRM C=CCN(CC1CCCCC1)C(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000735416834 1428199753 /nfs/dbraw/zinc/19/97/53/1428199753.db2.gz RNLCXHHGAKWQPB-UHFFFAOYSA-N -1 0 398.511 3.112 20 30 GGEDRM CC[C@@H](C)n1ncc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)c1C1CC1 ZINC000825081851 1429786729 /nfs/dbraw/zinc/78/67/29/1429786729.db2.gz NWHBEPQXQYXZCB-LLVKDONJSA-N -1 0 376.424 3.036 20 30 GGEDRM Cc1cc2c(cc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N)OCO2 ZINC000180355320 1429844580 /nfs/dbraw/zinc/84/45/80/1429844580.db2.gz LLMPRFIOCPZIJC-UHFFFAOYSA-N -1 0 384.335 3.415 20 30 GGEDRM Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(-c4nnn[n-]4)[nH]3)n2)cc1 ZINC000826273866 1429879726 /nfs/dbraw/zinc/87/97/26/1429879726.db2.gz XQXYYBKXIKUEES-LBPRGKRZSA-N -1 0 375.417 3.117 20 30 GGEDRM C=CC1CCN(CC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCC3)CC1 ZINC000735409857 1429938335 /nfs/dbraw/zinc/93/83/35/1429938335.db2.gz MWUNKFXTUUNFOT-UHFFFAOYSA-N -1 0 386.525 3.034 20 30 GGEDRM Cc1cc(NC(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)nn1CCC#N ZINC000826270651 1429939601 /nfs/dbraw/zinc/93/96/01/1429939601.db2.gz JHVSJDCLFPDFRQ-UHFFFAOYSA-N -1 0 398.430 3.205 20 30 GGEDRM N#Cc1cccnc1Oc1ccccc1NCCOc1cccc(-c2nnn[n-]2)c1 ZINC000737728056 1429941272 /nfs/dbraw/zinc/94/12/72/1429941272.db2.gz XCMDQKQCWXKKMU-UHFFFAOYSA-N -1 0 399.414 3.417 20 30 GGEDRM N#Cc1ccc(C2=CCN(C(=S)Nc3ccccc3-c3nn[n-]n3)CC2)cc1 ZINC000826385065 1429960198 /nfs/dbraw/zinc/96/01/98/1429960198.db2.gz VQYVZMQXPNKNLF-UHFFFAOYSA-N -1 0 387.472 3.224 20 30 GGEDRM C=CCOc1ccc(CNc2cc(-c3nn[n-]n3)ccc2OCC)cc1OC ZINC000823931851 1429962279 /nfs/dbraw/zinc/96/22/79/1429962279.db2.gz HVOVNWIUQDWNKY-UHFFFAOYSA-N -1 0 381.436 3.451 20 30 GGEDRM CC[C@H](C#N)NC(=O)c1ccccc1SCc1ccc(-c2nn[n-]n2)cc1 ZINC000825038781 1429964400 /nfs/dbraw/zinc/96/44/00/1429964400.db2.gz IDEGRFUBGIFGQQ-OAHLLOKOSA-N -1 0 378.461 3.191 20 30 GGEDRM Cc1ccc(CC(=O)[C@H](C#N)c2nc(-c3ccc(-c4nn[n-]n4)cc3)cs2)o1 ZINC000826286761 1429971399 /nfs/dbraw/zinc/97/13/99/1429971399.db2.gz PIULEUOAOFEBMB-HNNXBMFYSA-N -1 0 390.428 3.311 20 30 GGEDRM CC(C)Oc1ccc(S(=O)(=O)[N-]c2cc(C#N)c(Br)cn2)cc1 ZINC000180759727 1430023371 /nfs/dbraw/zinc/02/33/71/1430023371.db2.gz BKPTZVQNCVDXRE-UHFFFAOYSA-N -1 0 396.266 3.304 20 30 GGEDRM N#Cc1cc(F)ccc1NC1CCC(Oc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000826384075 1430042190 /nfs/dbraw/zinc/04/21/90/1430042190.db2.gz GBLASHFWMYXAHX-UHFFFAOYSA-N -1 0 379.399 3.075 20 30 GGEDRM Cc1c(Cl)cnc(N2CCC[C@@H]2[C@H](C#N)c2ccccc2)c1-c1nn[n-]n1 ZINC000826237729 1430068718 /nfs/dbraw/zinc/06/87/18/1430068718.db2.gz JNXDXBTZNJHQIG-GDBMZVCRSA-N -1 0 379.855 3.500 20 30 GGEDRM Clc1ccccc1C#CCN1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826353415 1430090471 /nfs/dbraw/zinc/09/04/71/1430090471.db2.gz OFASTLISPOIZIW-UHFFFAOYSA-N -1 0 393.878 3.415 20 30 GGEDRM N#Cc1cc(NC(=O)c2csc(-c3cccs3)n2)ccc1-c1nnn[n-]1 ZINC000737708603 1430091759 /nfs/dbraw/zinc/09/17/59/1430091759.db2.gz FAZIAIGSKQMZOS-UHFFFAOYSA-N -1 0 379.430 3.176 20 30 GGEDRM C[C@H]1CCc2c(sc(NC(=O)Cc3cccc(C#N)c3)c2-c2nnn[n-]2)C1 ZINC000820727871 1430095415 /nfs/dbraw/zinc/09/54/15/1430095415.db2.gz PXGGWFKFHZUUDO-NSHDSACASA-N -1 0 378.461 3.106 20 30 GGEDRM COc1ccc(-n2cc([O-])c(C(=O)N(Cc3ccc(C#N)cc3)C3CC3)n2)cc1 ZINC000180912857 1430107237 /nfs/dbraw/zinc/10/72/37/1430107237.db2.gz KRYJPYDASNRTRQ-UHFFFAOYSA-N -1 0 388.427 3.263 20 30 GGEDRM N#Cc1ccc(F)c(CNc2ccn(-c3ccc(Cl)cc3-c3nn[n-]n3)n2)c1 ZINC000826385290 1430137194 /nfs/dbraw/zinc/13/71/94/1430137194.db2.gz FSTDZDDLPIYDMZ-UHFFFAOYSA-N -1 0 394.801 3.329 20 30 GGEDRM CN(C(=O)CSCc1ccc(-c2nn[n-]n2)cc1)c1cc(Cl)ccc1C#N ZINC000821570987 1430138462 /nfs/dbraw/zinc/13/84/62/1430138462.db2.gz UTKCLWJOWUFALA-UHFFFAOYSA-N -1 0 398.879 3.288 20 30 GGEDRM C=C(C)COc1cccc(NC(=O)[C@H](C)Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735402166 1430139812 /nfs/dbraw/zinc/13/98/12/1430139812.db2.gz KSCHZLQMDSNFDS-AWEZNQCLSA-N -1 0 379.420 3.228 20 30 GGEDRM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1)c1ccc(N2CCOCC2)cc1Cl ZINC000822923806 1430154304 /nfs/dbraw/zinc/15/43/04/1430154304.db2.gz UWBPZJXIZKCDKN-FPYGCLRLSA-N -1 0 395.850 3.253 20 30 GGEDRM CC(C)(C#N)COC(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000824059203 1430158916 /nfs/dbraw/zinc/15/89/16/1430158916.db2.gz OVVKGYINWJXQCJ-UHFFFAOYSA-N -1 0 377.404 3.152 20 30 GGEDRM N#CCCCOc1cccnc1NC(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000181019098 1430170223 /nfs/dbraw/zinc/17/02/23/1430170223.db2.gz PKRYCLDHOBAFBF-UHFFFAOYSA-N -1 0 381.367 3.047 20 30 GGEDRM COc1ccc(-n2cc([O-])c(C(=O)N[C@@H](C#N)c3ccccc3Cl)n2)cc1 ZINC000181080333 1430202150 /nfs/dbraw/zinc/20/21/50/1430202150.db2.gz RZHMLSKNVDOFJR-INIZCTEOSA-N -1 0 382.807 3.235 20 30 GGEDRM N#CCC[C@H](NC(=O)CSc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000826381670 1430203181 /nfs/dbraw/zinc/20/31/81/1430203181.db2.gz UMSXAOSLJDWUDU-KRWDZBQOSA-N -1 0 378.461 3.120 20 30 GGEDRM C=CCCC(=O)O[C@H](C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000735409291 1430212137 /nfs/dbraw/zinc/21/21/37/1430212137.db2.gz YFBDQZGFKNXEAE-LLVKDONJSA-N -1 0 389.481 3.034 20 30 GGEDRM Oc1ccc(Br)cc1C=NCc1ccc(-c2nn[n-]n2)cc1F ZINC000738396479 1430224987 /nfs/dbraw/zinc/22/49/87/1430224987.db2.gz HUJVDFCHJXPUDR-LSCVHKIXSA-N -1 0 376.189 3.093 20 30 GGEDRM N#CCCCS(=O)(=O)[N-]C(=O)c1ccc(-c2cc(F)c(F)c(F)c2)cc1 ZINC000181257396 1430257540 /nfs/dbraw/zinc/25/75/40/1430257540.db2.gz ABZIGFMTMUFPSB-UHFFFAOYSA-N -1 0 382.363 3.134 20 30 GGEDRM N#CCCCS(=O)(=O)[N-]C(=O)CCCc1ccc2c(c1)-c1ccccc1C2 ZINC000181258978 1430257733 /nfs/dbraw/zinc/25/77/33/1430257733.db2.gz LNRARYXOCHFARV-UHFFFAOYSA-N -1 0 382.485 3.330 20 30 GGEDRM Cc1cc(F)ccc1-c1ccc(C(=O)[N-]S(=O)(=O)CCCC#N)cc1F ZINC000181264044 1430258820 /nfs/dbraw/zinc/25/88/20/1430258820.db2.gz ILMVPVZONWCABL-UHFFFAOYSA-N -1 0 378.400 3.304 20 30 GGEDRM C=CCNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(OCC(F)F)cc1 ZINC000181668086 1430338564 /nfs/dbraw/zinc/33/85/64/1430338564.db2.gz UXCGDCKLPQAKJY-UHFFFAOYSA-N -1 0 396.415 3.047 20 30 GGEDRM CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(OCC(F)F)cc1 ZINC000181682424 1430341284 /nfs/dbraw/zinc/34/12/84/1430341284.db2.gz YGJCKYYXYAFDTF-UHFFFAOYSA-N -1 0 382.388 3.402 20 30 GGEDRM Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]c1ccccc1O[C@H](C)C#N ZINC000181744827 1430351791 /nfs/dbraw/zinc/35/17/91/1430351791.db2.gz CZIPFSSDKQIDJN-CYBMUJFWSA-N -1 0 376.482 3.248 20 30 GGEDRM COCCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(C)c(F)c(C)c1 ZINC000181794824 1430361967 /nfs/dbraw/zinc/36/19/67/1430361967.db2.gz CLLPFBFDXCSLQG-UHFFFAOYSA-N -1 0 378.425 3.140 20 30 GGEDRM Cc1cc([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)nn1-c1cccc(F)c1 ZINC000182840846 1430551315 /nfs/dbraw/zinc/55/13/15/1430551315.db2.gz WSZBMFPLLHNVGX-UHFFFAOYSA-N -1 0 392.362 3.271 20 30 GGEDRM Cn1cnc(-c2ccc(C([O-])=C(C#N)c3nc(-c4ccncc4)cs3)cc2)n1 ZINC000182941177 1430576860 /nfs/dbraw/zinc/57/68/60/1430576860.db2.gz ZMERQBKLYIPWBE-MRXNPFEDSA-N -1 0 386.440 3.491 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ZINC000195286999 1433315264 /nfs/dbraw/zinc/31/52/64/1433315264.db2.gz DLXWDYFDBRGXIU-MRXNPFEDSA-N -1 0 385.489 3.032 20 30 GGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(COc3cccc(F)c3)c2)cn1 ZINC000195442382 1433330221 /nfs/dbraw/zinc/33/02/21/1433330221.db2.gz DGOGTOGLLXBYJX-UHFFFAOYSA-N -1 0 383.404 3.472 20 30 GGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(OCc3cccc(F)c3)c2)cn1 ZINC000195444799 1433330346 /nfs/dbraw/zinc/33/03/46/1433330346.db2.gz ONDRVBHGUAEXOW-UHFFFAOYSA-N -1 0 383.404 3.472 20 30 GGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1nc(C)n(-c2ccccc2C(C)C)n1 ZINC000195491651 1433336547 /nfs/dbraw/zinc/33/65/47/1433336547.db2.gz QMYVAQNSHKFICE-QGZVFWFLSA-N -1 0 381.480 3.328 20 30 GGEDRM N#Cc1cccc(CS(=O)(=O)[N-]C(=O)CSCc2ccc(Cl)cc2)c1 ZINC000195495839 1433336782 /nfs/dbraw/zinc/33/67/82/1433336782.db2.gz JZMSRSPDIRSKEG-UHFFFAOYSA-N -1 0 394.905 3.091 20 30 GGEDRM N#Cc1cccc(CS(=O)(=O)[N-]C(=O)CCCc2c[nH]c3ccccc23)c1 ZINC000195496196 1433336784 /nfs/dbraw/zinc/33/67/84/1433336784.db2.gz UWCDRTGVNXYIPZ-UHFFFAOYSA-N -1 0 381.457 3.008 20 30 GGEDRM Cc1cccc(OCCCCC(=O)[N-]S(=O)(=O)Cc2cccc(C#N)c2)c1 ZINC000195496801 1433336806 /nfs/dbraw/zinc/33/68/06/1433336806.db2.gz PFMNJHHXMJAVRR-UHFFFAOYSA-N -1 0 386.473 3.062 20 30 GGEDRM N#Cc1cccc(CS(=O)(=O)[N-]C(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000195496166 1433336810 /nfs/dbraw/zinc/33/68/10/1433336810.db2.gz IXDOAVPSGAZGKH-UHFFFAOYSA-N -1 0 383.256 3.054 20 30 GGEDRM N#Cc1cccc(CS(=O)(=O)[N-]C(=O)C2(c3ccc(F)cc3)CCCC2)c1 ZINC000195495314 1433336886 /nfs/dbraw/zinc/33/68/86/1433336886.db2.gz VKWSEQFMCJSSEX-UHFFFAOYSA-N -1 0 386.448 3.155 20 30 GGEDRM CC[C@H](C)c1ccccc1OCC(=O)[N-]S(=O)(=O)Cc1cccc(C#N)c1 ZINC000195495668 1433336931 /nfs/dbraw/zinc/33/69/31/1433336931.db2.gz HVSLVWMVXJPXGV-HNNXBMFYSA-N -1 0 386.473 3.097 20 30 GGEDRM CC(C)Oc1ccc(Cl)cc1C(=O)[N-]S(=O)(=O)Cc1cccc(C#N)c1 ZINC000195496810 1433336940 /nfs/dbraw/zinc/33/69/40/1433336940.db2.gz GAQBPDVHCUBUFB-UHFFFAOYSA-N -1 0 392.864 3.259 20 30 GGEDRM N#Cc1cccc(CS(=O)(=O)[N-]C(=O)c2cccc3c4c([nH]c32)CCCC4)c1 ZINC000195497263 1433337147 /nfs/dbraw/zinc/33/71/47/1433337147.db2.gz KASZELBAZLCFPD-UHFFFAOYSA-N -1 0 393.468 3.178 20 30 GGEDRM COCCNC(=O)C(C#N)=C([O-])c1cc(C)n(-c2ccc(C(C)C)cc2)c1C ZINC000195659434 1433343802 /nfs/dbraw/zinc/34/38/02/1433343802.db2.gz RIQSXZFFZNZURD-HXUWFJFHSA-N -1 0 381.476 3.303 20 30 GGEDRM C=CC[C@H](NC(=O)c1cc(Br)sc1Br)C(=O)[O-] ZINC000236453477 1433374078 /nfs/dbraw/zinc/37/40/78/1433374078.db2.gz LSRUDTVEGFSGAL-LURJTMIESA-N -1 0 383.061 3.032 20 30 GGEDRM CCCNC(=O)CCCC(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC000236840067 1433380770 /nfs/dbraw/zinc/38/07/70/1433380770.db2.gz PKMVNBALPRRAFP-UHFFFAOYSA-N -1 0 392.455 3.420 20 30 GGEDRM C[C@@H]1CN(c2ccc(C([O-])=C(C#N)c3nc4ccccc4o3)cn2)C[C@@H](C)O1 ZINC000248748008 1433819698 /nfs/dbraw/zinc/81/96/98/1433819698.db2.gz FIPHNUKGCFISEK-FMKPAKJESA-N -1 0 376.416 3.326 20 30 GGEDRM CC(=NNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccc2ccccc2c1O ZINC000254316649 1433870823 /nfs/dbraw/zinc/87/08/23/1433870823.db2.gz JURHXIJPZXEWDG-UHFFFAOYSA-N -1 0 399.428 3.465 20 30 GGEDRM Cc1cc(C)n(-c2n[n-]c(=S)n2N=Cc2ccc(Br)cc2)n1 ZINC000254446329 1433871265 /nfs/dbraw/zinc/87/12/65/1433871265.db2.gz JAGKZTGORVAIBC-UHFFFAOYSA-N -1 0 377.271 3.388 20 30 GGEDRM N#Cc1ccccc1/C=C\C(=O)[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000255001382 1433873878 /nfs/dbraw/zinc/87/38/78/1433873878.db2.gz NFEONBPULXGTOX-HJWRWDBZSA-N -1 0 380.347 3.095 20 30 GGEDRM CN(C)c1ccc(S(N)(=O)=O)cc1N=Cc1cc(Cl)cc(Cl)c1[O-] ZINC000255005864 1433874032 /nfs/dbraw/zinc/87/40/32/1433874032.db2.gz PZKOBZPISMYDDU-UHFFFAOYSA-N -1 0 388.276 3.163 20 30 GGEDRM CN(C)C(=O)COc1cccc(C/N=C\c2cc(Cl)cc([N+](=O)[O-])c2[O-])c1 ZINC000255076731 1433875862 /nfs/dbraw/zinc/87/58/62/1433875862.db2.gz UWUFUTWNISZCTA-JMIUGGIZSA-N -1 0 391.811 3.040 20 30 GGEDRM N#CC(=C([O-])C=Cc1ccc(Cl)nc1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000255171493 1433877926 /nfs/dbraw/zinc/87/79/26/1433877926.db2.gz KIZGUASPRKWVKB-QPBFKRLHSA-N -1 0 391.822 3.135 20 30 GGEDRM CS(=O)(=O)Cc1ccccc1C/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000255332899 1433880588 /nfs/dbraw/zinc/88/05/88/1433880588.db2.gz BIUNUHYLZMNEOC-NVMNQCDNSA-N -1 0 382.825 3.118 20 30 GGEDRM CS(=O)(=O)Cc1cccc(C/N=C\c2cc(Cl)cc([N+](=O)[O-])c2[O-])c1 ZINC000255335052 1433880609 /nfs/dbraw/zinc/88/06/09/1433880609.db2.gz IQRSCWNYIJCXPC-NVMNQCDNSA-N -1 0 382.825 3.118 20 30 GGEDRM CC(=O)Nc1ccc(/C=C\C(=O)c2ccc([O-])c(CN3CCOCC3)c2)cc1 ZINC000255338136 1433880737 /nfs/dbraw/zinc/88/07/37/1433880737.db2.gz SBIUWTRRYWGWDL-YWEYNIOJSA-N -1 0 380.444 3.079 20 30 GGEDRM O=C(/C=C\c1ccc([O-])c([N+](=O)[O-])c1)c1ccc(S(=O)(=O)CC(F)F)cc1 ZINC000255344821 1433880931 /nfs/dbraw/zinc/88/09/31/1433880931.db2.gz XMVDDGSANBUFAC-XFSBKJJWSA-N -1 0 397.355 3.235 20 30 GGEDRM N#CC(=C([O-])C=CSCc1ccco1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000255546000 1433884793 /nfs/dbraw/zinc/88/47/93/1433884793.db2.gz ZQGXKDWWMWULBD-WKTRQSJXSA-N -1 0 392.444 3.414 20 30 GGEDRM CCc1cc(N2CCC(/N=C\c3cc(Cl)cc([N+](=O)[O-])c3[O-])CC2)ncn1 ZINC000255554126 1433885008 /nfs/dbraw/zinc/88/50/08/1433885008.db2.gz GKHZWMYAKQEMHW-JMIUGGIZSA-N -1 0 389.843 3.394 20 30 GGEDRM O=C(C/N=C\c1cc(Br)cc(Br)c1[O-])OCC1CC1 ZINC000255624990 1433886811 /nfs/dbraw/zinc/88/68/11/1433886811.db2.gz RPELICLBINCFAU-BNCCVWRVSA-N -1 0 391.059 3.289 20 30 GGEDRM CCOCCO[C@@H](C)C(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC000261684084 1433899012 /nfs/dbraw/zinc/89/90/12/1433899012.db2.gz ADCIHNAUWYCLPR-INIZCTEOSA-N -1 0 381.428 3.165 20 30 GGEDRM CCOCCO[C@H](C)C(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC000261684085 1433899099 /nfs/dbraw/zinc/89/90/99/1433899099.db2.gz ADCIHNAUWYCLPR-MRXNPFEDSA-N -1 0 381.428 3.165 20 30 GGEDRM C=CCc1cc(CNC(=O)CCc2ccccc2C(=O)[O-])cc(OC)c1OC ZINC000262164918 1433929377 /nfs/dbraw/zinc/92/93/77/1433929377.db2.gz KWEYCWJKNZACPS-UHFFFAOYSA-N -1 0 383.444 3.380 20 30 GGEDRM C=CCC[C@H](NC(=O)C1CCC(NC(=O)CC2CCCCC2)CC1)C(=O)[O-] ZINC000262773769 1433955143 /nfs/dbraw/zinc/95/51/43/1433955143.db2.gz AMBWLLBLHKLBSC-ABHNRTSZSA-N -1 0 378.513 3.167 20 30 GGEDRM C=CCC[C@H](NC(=O)Cc1csc(COc2ccc(Cl)cc2)n1)C(=O)[O-] ZINC000262834788 1433960156 /nfs/dbraw/zinc/96/01/56/1433960156.db2.gz GEUBHQBIKHYCPC-HNNXBMFYSA-N -1 0 394.880 3.454 20 30 GGEDRM C=CCN(C(=O)c1ccc(-n2ncc(C(=O)[O-])c2C(F)(F)F)cc1)C1CC1 ZINC000262838124 1433960378 /nfs/dbraw/zinc/96/03/78/1433960378.db2.gz RTRPTTNPARNZDE-UHFFFAOYSA-N -1 0 379.338 3.380 20 30 GGEDRM C=CCC[C@H](NC(=O)c1cnn(-c2ccccc2C)c1C(F)(F)F)C(=O)[O-] ZINC000262902772 1433965200 /nfs/dbraw/zinc/96/52/00/1433965200.db2.gz MKCOCKYXIAHVGC-ZDUSSCGKSA-N -1 0 381.354 3.349 20 30 GGEDRM C=CCC[C@H](NC(=O)c1cnn(-c2ccc(C)cc2)c1C(F)(F)F)C(=O)[O-] ZINC000262917776 1433966806 /nfs/dbraw/zinc/96/68/06/1433966806.db2.gz NTVSALPBKWYFAT-AWEZNQCLSA-N -1 0 381.354 3.349 20 30 GGEDRM C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@H](CC(F)(F)F)C(=O)[O-] ZINC000262992900 1433974642 /nfs/dbraw/zinc/97/46/42/1433974642.db2.gz OGQPBXYPNKVTDH-SNVBAGLBSA-N -1 0 385.260 3.406 20 30 GGEDRM CCCc1c(NC(=O)NC(C)(C)CCC(=O)[O-])cnn1-c1cccc(C#N)c1 ZINC000263012960 1433976819 /nfs/dbraw/zinc/97/68/19/1433976819.db2.gz HXLRIDVDGVVQNU-UHFFFAOYSA-N -1 0 383.452 3.461 20 30 GGEDRM C=CCc1cc(C(=O)N(CCc2ccccc2)CC(=O)[O-])cc(OC)c1OC ZINC000263064138 1433982119 /nfs/dbraw/zinc/98/21/19/1433982119.db2.gz IBTZNJFWGSQWNP-UHFFFAOYSA-N -1 0 383.444 3.202 20 30 GGEDRM C=CCOC[C@@H](NC(=O)c1ccc(SCc2csc(C)n2)cc1)C(=O)[O-] ZINC000263145660 1433989837 /nfs/dbraw/zinc/98/98/37/1433989837.db2.gz WZXQFCDVDYGRNT-MRXNPFEDSA-N -1 0 392.502 3.129 20 30 GGEDRM C=C1CCN(C(=O)c2ccc(-n3ncc(C(=O)[O-])c3C(F)(F)F)cc2)CC1 ZINC000263253875 1433998566 /nfs/dbraw/zinc/99/85/66/1433998566.db2.gz HZHONOVNEXVHTF-UHFFFAOYSA-N -1 0 379.338 3.382 20 30 GGEDRM C=C(C)[C@@H](NC(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1)c1ccc(F)c(F)c1 ZINC000263406499 1434005549 /nfs/dbraw/zinc/00/55/49/1434005549.db2.gz TWSUNYSFZIUHIY-JTNHKYCSSA-N -1 0 392.324 3.487 20 30 GGEDRM C=CCC[C@@H](NC(=O)c1sc(COc2ccc(F)cc2)nc1C)C(=O)[O-] ZINC000263531330 1434011832 /nfs/dbraw/zinc/01/18/32/1434011832.db2.gz MNYXBQMKWDBZSC-CQSZACIVSA-N -1 0 378.425 3.319 20 30 GGEDRM Cc1cc(N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)n2c3ccccc3nc2c1C#N ZINC000263538184 1434012266 /nfs/dbraw/zinc/01/22/66/1434012266.db2.gz AVUDDTGFSLHJBA-CHWSQXEVSA-N -1 0 388.349 3.367 20 30 GGEDRM CCCCCCC[C@]1(C)NC(=O)N([N-]C(=O)c2cc(C(C)=O)cs2)C1=O ZINC000264386653 1434105638 /nfs/dbraw/zinc/10/56/38/1434105638.db2.gz DJHDOOCVJUWLMX-SFHVURJKSA-N -1 0 379.482 3.267 20 30 GGEDRM C[C@H](Oc1cccc(/C=C/C(=O)c2ccc(N3CCC(O)CC3)cc2)c1)C(=O)[O-] ZINC000264479113 1434117935 /nfs/dbraw/zinc/11/79/35/1434117935.db2.gz UGYLLGYANRLQHM-YKXBDCQTSA-N -1 0 395.455 3.396 20 30 GGEDRM CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc2c(c1)N(C(C)=O)CCC2 ZINC000265429046 1434233371 /nfs/dbraw/zinc/23/33/71/1434233371.db2.gz FJZANKLWLCLBLR-UHFFFAOYSA-N -1 0 399.472 3.057 20 30 GGEDRM CC(=O)Nc1cc(S(=O)(=O)[N-]c2cc(C#N)ccc2OC(C)C)ccc1C ZINC000265434499 1434234021 /nfs/dbraw/zinc/23/40/21/1434234021.db2.gz HOTGBKPXECYZNE-UHFFFAOYSA-N -1 0 387.461 3.413 20 30 GGEDRM COC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2SC[C@@H](C)C#N)oc1C ZINC000267517751 1434442907 /nfs/dbraw/zinc/44/29/07/1434442907.db2.gz MNSUNCFCKDISAZ-NSHDSACASA-N -1 0 394.474 3.427 20 30 GGEDRM COC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2SC[C@H](C)C#N)oc1C ZINC000267517748 1434442914 /nfs/dbraw/zinc/44/29/14/1434442914.db2.gz MNSUNCFCKDISAZ-LLVKDONJSA-N -1 0 394.474 3.427 20 30 GGEDRM Cc1cc([N-]S(=O)(=O)c2ccc(OCCC(C)C)cc2)nn1CCC#N ZINC000271013653 1434795705 /nfs/dbraw/zinc/79/57/05/1434795705.db2.gz DXFPFGHUWPEEFQ-UHFFFAOYSA-N -1 0 376.482 3.331 20 30 GGEDRM N#CCCCOc1cccnc1[N-]S(=O)(=O)c1ccc(OCC(F)F)cc1 ZINC000272947209 1434943252 /nfs/dbraw/zinc/94/32/52/1434943252.db2.gz LYZIAYLQVVJZRX-UHFFFAOYSA-N -1 0 397.403 3.209 20 30 GGEDRM N#CCCN(CC1CC1)C(=O)c1nn(-c2ccccc2C(F)(F)F)cc1[O-] ZINC000273238797 1434974543 /nfs/dbraw/zinc/97/45/43/1434974543.db2.gz 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UWCSHFSSULCFIS-UHFFFAOYSA-N -1 0 391.456 3.257 20 30 GGEDRM Cc1cccc(N=C2NC(=O)C(=Cc3ccc(F)c(-c4nn[n-]n4)c3)S2)c1 ZINC000826299640 1443572766 /nfs/dbraw/zinc/57/27/66/1443572766.db2.gz NYPCNYSALHAHBZ-DHDCSXOGSA-N -1 0 380.408 3.206 20 30 GGEDRM COc1ccc(Cl)cc1C(C)N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000826208343 1443633135 /nfs/dbraw/zinc/63/31/35/1443633135.db2.gz GDBDOVBLLYSFQT-UHFFFAOYSA-N -1 0 378.223 3.413 20 30 GGEDRM CCCc1c(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cnn1C1CCCC1 ZINC000825348036 1443644269 /nfs/dbraw/zinc/64/42/69/1443644269.db2.gz AXSKUBCHVIQKIY-UHFFFAOYSA-N -1 0 390.451 3.255 20 30 GGEDRM Cc1c(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)sc2nccc(C)c12 ZINC000737446398 1443657154 /nfs/dbraw/zinc/65/71/54/1443657154.db2.gz VYNIGYATQLJJCF-UHFFFAOYSA-N -1 0 375.417 3.217 20 30 GGEDRM C=CCOc1ccc(C(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)cc1 ZINC000819759422 1443662082 /nfs/dbraw/zinc/66/20/82/1443662082.db2.gz XHPCZGAJNLWMJD-UHFFFAOYSA-N -1 0 379.420 3.471 20 30 GGEDRM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000826304775 1443675999 /nfs/dbraw/zinc/67/59/99/1443675999.db2.gz XQQCWVNCYXLMRJ-LJQANCHMSA-N -1 0 397.442 3.173 20 30 GGEDRM N#Cc1ccc(N2CC[C@@H](Sc3cccc(Cl)c3-c3nn[n-]n3)C2=O)cc1 ZINC000826385500 1443677426 /nfs/dbraw/zinc/67/74/26/1443677426.db2.gz PEBRVLOQKFAHOB-OAHLLOKOSA-N -1 0 396.863 3.289 20 30 GGEDRM O=C(C=Cc1ccccc1-c1nn[n-]n1)c1ccc(N2CCOCC2)cc1Cl ZINC000826401522 1443680710 /nfs/dbraw/zinc/68/07/10/1443680710.db2.gz BBVMUDCELYSOMN-VMPITWQZSA-N -1 0 395.850 3.253 20 30 GGEDRM C[C@H](C#N)CNC(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824034051 1443687004 /nfs/dbraw/zinc/68/70/04/1443687004.db2.gz GJNOWEFZKCBYEX-KGLIPLIRSA-N -1 0 375.436 3.054 20 30 GGEDRM CC(C)(C)O[C@H](C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000824119347 1443697136 /nfs/dbraw/zinc/69/71/36/1443697136.db2.gz GDXJDXVAIHGRMJ-KRWDZBQOSA-N -1 0 376.420 3.233 20 30 GGEDRM C=CCOc1ccc(C=CC(=O)N(C)c2ccccc2-c2nn[n-]n2)cc1OC ZINC000819758774 1443703665 /nfs/dbraw/zinc/70/36/65/1443703665.db2.gz HBGMYSOWHOVVPB-ZRDIBKRKSA-N -1 0 391.431 3.116 20 30 GGEDRM COc1cc(C=NNc2cc(-c3nn[n-]n3)cc(Cl)n2)cc(Cl)c1OC ZINC000826179016 1443705216 /nfs/dbraw/zinc/70/52/16/1443705216.db2.gz VBVZMXXIRQBOAP-UHFFFAOYSA-N -1 0 394.222 3.032 20 30 GGEDRM CC(C)(C)c1cc(NC(=O)COc2ccccc2C#N)c(-c2nn[n-]n2)s1 ZINC000824130853 1443747750 /nfs/dbraw/zinc/74/77/50/1443747750.db2.gz PRZJGBBHXIPLFA-UHFFFAOYSA-N -1 0 382.449 3.115 20 30 GGEDRM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@H](CCC#N)c1ccccc1 ZINC000825627146 1443766546 /nfs/dbraw/zinc/76/65/46/1443766546.db2.gz VEDUUILMIIBUHZ-MRXNPFEDSA-N -1 0 391.435 3.432 20 30 GGEDRM N#C[C@H]1CCC[C@@H]1NC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826380651 1443771670 /nfs/dbraw/zinc/77/16/70/1443771670.db2.gz IROSDMPIMXLYDS-KDOFPFPSSA-N -1 0 389.419 3.473 20 30 GGEDRM C[C@H](CC#N)N(C)C(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000820218985 1443772532 /nfs/dbraw/zinc/77/25/32/1443772532.db2.gz BPFVLEKBIYBFRT-CYBMUJFWSA-N -1 0 378.461 3.392 20 30 GGEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)Cn1nc(C2CC2)sc1=S ZINC000819745586 1443774616 /nfs/dbraw/zinc/77/46/16/1443774616.db2.gz KYOXUUUITIHGRL-UHFFFAOYSA-N -1 0 385.522 3.377 20 30 GGEDRM Cc1c(NC(=O)[C@H](Oc2ccccc2C#N)C(C)C)cccc1-c1nn[n-]n1 ZINC000822059450 1443776995 /nfs/dbraw/zinc/77/69/95/1443776995.db2.gz BLCULGZNIMCXQA-GOSISDBHSA-N -1 0 376.420 3.089 20 30 GGEDRM Cn1cc(C=CC(=O)c2ccc(F)c(F)c2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826359773 1443782858 /nfs/dbraw/zinc/78/28/58/1443782858.db2.gz PXUXECBQTOXDRQ-CLFYSBASSA-N -1 0 392.369 3.442 20 30 GGEDRM C[C@H](NCc1ccc(C#N)cc1Br)c1cccc(-c2nn[n-]n2)c1 ZINC000824612309 1443820025 /nfs/dbraw/zinc/82/00/25/1443820025.db2.gz MSQTZYCBAXLKQN-NSHDSACASA-N -1 0 383.253 3.352 20 30 GGEDRM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000826253948 1443834183 /nfs/dbraw/zinc/83/41/83/1443834183.db2.gz MCXZFIAIOQEKSY-UHFFFAOYSA-N -1 0 387.321 3.423 20 30 GGEDRM C=C[C@H](CC(=O)N(CCOC)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000823883531 1443839424 /nfs/dbraw/zinc/83/94/24/1443839424.db2.gz SOZLTEYJJQAVQX-MRXNPFEDSA-N -1 0 377.448 3.206 20 30 GGEDRM COc1cc(C=CC(=O)c2c(C)n3c(c2-c2nn[n-]n2)CCC3)cc(Cl)c1O ZINC000737043534 1443855350 /nfs/dbraw/zinc/85/53/50/1443855350.db2.gz XETYIAHRJGRGPI-WAYWQWQTSA-N -1 0 399.838 3.187 20 30 GGEDRM C=CCCCN(Cc1ccc(-c2nn[n-]n2)cc1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000819740265 1443884873 /nfs/dbraw/zinc/88/48/73/1443884873.db2.gz WUFXBITZSCNIBP-UHFFFAOYSA-N -1 0 375.436 3.421 20 30 GGEDRM O=C1c2ccc(-c3nn[n-]n3)cc2CCC1=Cc1cccc(Br)n1 ZINC000826475698 1443885277 /nfs/dbraw/zinc/88/52/77/1443885277.db2.gz NWWQQRAKZBBSDU-PKNBQFBNSA-N -1 0 382.221 3.237 20 30 GGEDRM Cc1c(Cl)cccc1NC(=S)NN=Cc1cc(-c2nn[n-]n2)cs1 ZINC000822034691 1443886352 /nfs/dbraw/zinc/88/63/52/1443886352.db2.gz JPAVVSFZQDKKKY-UHFFFAOYSA-N -1 0 377.886 3.211 20 30 GGEDRM N#C[C@H](C(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1)c1ccccn1 ZINC000737674995 1443896441 /nfs/dbraw/zinc/89/64/41/1443896441.db2.gz XWBCPKYHJATNOF-SFHVURJKSA-N -1 0 381.399 3.495 20 30 GGEDRM Cn1cc(C=C2Cc3c(cccc3F)C2=O)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826360019 1443916476 /nfs/dbraw/zinc/91/64/76/1443916476.db2.gz VMMZNSPBVWGABJ-ZROIWOOFSA-N -1 0 386.390 3.229 20 30 GGEDRM Cn1c(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)ccc1-c1ccc(F)cc1 ZINC000737593206 1443916957 /nfs/dbraw/zinc/91/69/57/1443916957.db2.gz OSNLJIXVOQVRBT-UHFFFAOYSA-N -1 0 387.378 3.135 20 30 GGEDRM N#Cc1ccc(S[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)c(F)c1 ZINC000826385992 1443920781 /nfs/dbraw/zinc/92/07/81/1443920781.db2.gz KRNNWNMBRJMFMV-KRWDZBQOSA-N -1 0 394.435 3.165 20 30 GGEDRM C[C@@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)N(CCC#N)c1ccccc1 ZINC000820554988 1443930599 /nfs/dbraw/zinc/93/05/99/1443930599.db2.gz CZSQPSWRLRCQNN-CQSZACIVSA-N -1 0 378.461 3.294 20 30 GGEDRM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NC(C[C@@H]2CCOC2)c2ccccc2)o1 ZINC000824135253 1443940318 /nfs/dbraw/zinc/94/03/18/1443940318.db2.gz COJIIBCVAWMPGC-ZDUSSCGKSA-N -1 0 395.467 3.395 20 30 GGEDRM 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ZINC000737043218 1449111242 /nfs/dbraw/zinc/11/12/42/1449111242.db2.gz VYQMLPCDYQPVAA-UHFFFAOYSA-N -1 0 388.431 3.116 20 30 GGEDRM CCC[C@H](C#N)NC(=O)c1ccccc1Sc1ccccc1-c1nn[n-]n1 ZINC000825225045 1449122084 /nfs/dbraw/zinc/12/20/84/1449122084.db2.gz KETDWAITFPUHQR-CYBMUJFWSA-N -1 0 378.461 3.440 20 30 GGEDRM N#CCC1CCN(C(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)CC1 ZINC000826380577 1449200002 /nfs/dbraw/zinc/20/00/02/1449200002.db2.gz FUZVEMMUUZLYQF-UHFFFAOYSA-N -1 0 387.447 3.376 20 30 GGEDRM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)OCc1cc(F)ccc1C#N ZINC000820032467 1449298027 /nfs/dbraw/zinc/29/80/27/1449298027.db2.gz NYYKJOKYWJRLCO-SFHVURJKSA-N -1 0 395.394 3.024 20 30 GGEDRM C=CCn1c(-c2ccco2)nn(CN(C)c2ccc(-c3nnn[n-]3)cc2)c1=S ZINC000823937278 1449335513 /nfs/dbraw/zinc/33/55/13/1449335513.db2.gz PTUIIYOKHPDPST-UHFFFAOYSA-N -1 0 394.464 3.134 20 30 GGEDRM COc1ccc(C=C2SC(=Nc3ccccc3C)NC2=O)cc1-c1nn[n-]n1 ZINC000737082085 1449350206 /nfs/dbraw/zinc/35/02/06/1449350206.db2.gz HZUZEOWCKFNBHP-YBEGLDIGSA-N -1 0 392.444 3.075 20 30 GGEDRM O=C(C#Cc1ccccc1)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000822912071 1449353717 /nfs/dbraw/zinc/35/37/17/1449353717.db2.gz LDRKLDLSHKFTKL-UHFFFAOYSA-N -1 0 385.452 3.263 20 30 GGEDRM N#CCCN(CC1CC1)C(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737686474 1449421292 /nfs/dbraw/zinc/42/12/92/1449421292.db2.gz IXHUTHFXRDSLQC-UHFFFAOYSA-N -1 0 388.431 3.425 20 30 GGEDRM N#C[C@H](NC(=O)c1cc(-c2nn[n-]n2)cs1)c1c(Cl)cccc1Cl ZINC000822801414 1449431709 /nfs/dbraw/zinc/43/17/09/1449431709.db2.gz JBABXTWKXHPTDW-JTQLQIEISA-N -1 0 379.232 3.230 20 30 GGEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1c(Cl)n(C)nc1C(C)C ZINC000735420682 1449446520 /nfs/dbraw/zinc/44/65/20/1449446520.db2.gz PUVBKSVGRXJTQY-UHFFFAOYSA-N -1 0 399.886 3.205 20 30 GGEDRM N#Cc1cc(Cl)ccc1-n1ccc(NCc2ccc(F)c(-c3nnn[n-]3)c2)n1 ZINC000826383449 1449485018 /nfs/dbraw/zinc/48/50/18/1449485018.db2.gz AVVNLHYPTUYPIM-UHFFFAOYSA-N -1 0 394.801 3.329 20 30 GGEDRM N#C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)c1ccc(Cl)c(Cl)c1 ZINC000822801798 1449493783 /nfs/dbraw/zinc/49/37/83/1449493783.db2.gz OUEIHPOVASPJQQ-SNVBAGLBSA-N -1 0 379.232 3.230 20 30 GGEDRM N#Cc1ccccc1N1CCCN(c2cc(-c3nn[n-]n3)c3ccccc3n2)CC1 ZINC000737727031 1449506870 /nfs/dbraw/zinc/50/68/70/1449506870.db2.gz BXWCBJAVIWYWFI-UHFFFAOYSA-N -1 0 396.458 3.003 20 30 GGEDRM C=C(C)COCCNC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000819723091 1449542523 /nfs/dbraw/zinc/54/25/23/1449542523.db2.gz YDUXBZOYFYNPOX-UHFFFAOYSA-N -1 0 394.435 3.373 20 30 GGEDRM C#CCN(CC)C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000819697998 1449603641 /nfs/dbraw/zinc/60/36/41/1449603641.db2.gz PNVVUUWLCWBIJE-UHFFFAOYSA-N -1 0 376.420 3.454 20 30 GGEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H]1SCCc2sccc21 ZINC000819743427 1449655890 /nfs/dbraw/zinc/65/58/90/1449655890.db2.gz JMFKTJSGFKNJEK-KRWDZBQOSA-N -1 0 397.529 3.473 20 30 GGEDRM Cn1ccnc1COc1ccc(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)cc1 ZINC000822699197 1449684729 /nfs/dbraw/zinc/68/47/29/1449684729.db2.gz RUSWHRYHBSUDQN-VOTSOKGWSA-N -1 0 392.444 3.137 20 30 GGEDRM Cn1cc(C=CC(=O)c2ccc(C#N)s2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826359595 1449710283 /nfs/dbraw/zinc/71/02/83/1449710283.db2.gz LRUJKPVJLMEMTO-SOFGYWHQSA-N -1 0 387.428 3.096 20 30 GGEDRM N#C[C@H](NC(=O)Cc1ccc(-c2nn[n-]n2)cc1)c1c(Cl)cccc1Cl ZINC000737674262 1449714551 /nfs/dbraw/zinc/71/45/51/1449714551.db2.gz HVIMQQJYFNBFQT-AWEZNQCLSA-N -1 0 387.230 3.097 20 30 GGEDRM C=C(C)COc1cccc(N[C@H](C(=O)OC)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000819722387 1449779093 /nfs/dbraw/zinc/77/90/93/1449779093.db2.gz IDARNDMYUGGTFD-SFHVURJKSA-N -1 0 379.420 3.148 20 30 GGEDRM Cc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(-c4nn[n-]n4)cc3)cs2)nc1 ZINC000826281249 1449826394 /nfs/dbraw/zinc/82/63/94/1449826394.db2.gz KSTZZCQLLWXAFC-CQSZACIVSA-N -1 0 387.428 3.184 20 30 GGEDRM O=C(C=Cc1cnc2ccc(-c3nn[n-]n3)cn12)c1cccc(Br)c1 ZINC000737804288 1449910440 /nfs/dbraw/zinc/91/04/40/1449910440.db2.gz AMCBPBRRZQXBEJ-WAYWQWQTSA-N -1 0 395.220 3.173 20 30 GGEDRM CCc1c(C)sc(NC(=O)[C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2)c1C#N ZINC000736669427 1449922724 /nfs/dbraw/zinc/92/27/24/1449922724.db2.gz HNBPXCQKPVOMGT-SNVBAGLBSA-N -1 0 382.449 3.077 20 30 GGEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H]1CSc2ccccc21 ZINC000735419564 1449966369 /nfs/dbraw/zinc/96/63/69/1449966369.db2.gz VWSJBEVZFRIBTI-QGZVFWFLSA-N -1 0 377.473 3.271 20 30 GGEDRM Cc1c(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)nnn1-c1ccc(Cl)cc1 ZINC000822015515 1449980582 /nfs/dbraw/zinc/98/05/82/1449980582.db2.gz LKCLWKMNPRPWPF-VURMDHGXSA-N -1 0 397.851 3.367 20 30 GGEDRM Cc1c(C(=O)C=Cc2cc(Cl)cc3c2OCC3)c(-c2nn[n-]n2)c2n1CCC2 ZINC000826234074 1449982496 /nfs/dbraw/zinc/98/24/96/1449982496.db2.gz HHTFCMYYJGSNSH-PLNGDYQASA-N -1 0 395.850 3.407 20 30 GGEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cc(C)n([C@H](C)C2CC2)n1 ZINC000823914194 1449986036 /nfs/dbraw/zinc/98/60/36/1449986036.db2.gz DAHYYBGRNNRMTG-OAHLLOKOSA-N -1 0 391.479 3.171 20 30 GGEDRM Cn1cc(C=CC(=O)c2cccc(-c3nnn[n-]3)c2)c(-c2ccc(C#N)cc2)n1 ZINC000826360012 1450027550 /nfs/dbraw/zinc/02/75/50/1450027550.db2.gz VHBGRVHWTOHXQG-MDZDMXLPSA-N -1 0 381.399 3.035 20 30 GGEDRM N#CC1(NC(=O)c2ccc(Oc3ccccc3-c3nn[n-]n3)c(Cl)c2)CC1 ZINC000826380382 1450041472 /nfs/dbraw/zinc/04/14/72/1450041472.db2.gz YGLWZWSIPYJAPR-UHFFFAOYSA-N -1 0 380.795 3.098 20 30 GGEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H](C)c1csc(CC)n1 ZINC000735418562 1450046033 /nfs/dbraw/zinc/04/60/33/1450046033.db2.gz GUZSUUPGJZXBEU-CYBMUJFWSA-N -1 0 397.508 3.344 20 30 GGEDRM CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000825674716 1450049301 /nfs/dbraw/zinc/04/93/01/1450049301.db2.gz RCEBJFZGULDWGW-UHFFFAOYSA-N -1 0 395.404 3.011 20 30 GGEDRM CC(C)[C@@](C)(C#N)NC(=O)CSc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000824184726 1450115705 /nfs/dbraw/zinc/11/57/05/1450115705.db2.gz JMLWVRMNJXWMNX-OAHLLOKOSA-N -1 0 398.414 3.032 20 30 GGEDRM C=CCOc1ccc(C(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1OC ZINC000735437467 1450118099 /nfs/dbraw/zinc/11/80/99/1450118099.db2.gz JPELVCJRWGWUGV-CYBMUJFWSA-N -1 0 380.404 3.358 20 30 GGEDRM CCCCN(C)c1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1 ZINC000736453574 1450122307 /nfs/dbraw/zinc/12/23/07/1450122307.db2.gz QQFOBAUKDVSEQX-UHFFFAOYSA-N -1 0 375.436 3.227 20 30 GGEDRM C[C@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000824507229 1450123431 /nfs/dbraw/zinc/12/34/31/1450123431.db2.gz VVSXAEBUMVPBEL-ZDUSSCGKSA-N -1 0 383.415 3.224 20 30 GGEDRM Cc1cc(-c2nn[n-]n2)ccc1C(=O)OCc1ccc(C#N)cc1Br ZINC000826252320 1450195469 /nfs/dbraw/zinc/19/54/69/1450195469.db2.gz YYKWLXYGBLEHNW-UHFFFAOYSA-N -1 0 398.220 3.166 20 30 GGEDRM CCOc1ccc(C(C)=NNCc2ccc(-c3nn[n-]n3)cc2)cc1OCC ZINC000821418050 1450225203 /nfs/dbraw/zinc/22/52/03/1450225203.db2.gz VIJDKBCCTDJTAO-UHFFFAOYSA-N -1 0 380.452 3.178 20 30 GGEDRM C=CCOc1cccnc1C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC000823932301 1450247118 /nfs/dbraw/zinc/24/71/18/1450247118.db2.gz TXXGVCFACHCHOZ-UHFFFAOYSA-N -1 0 382.449 3.019 20 30 GGEDRM N#Cc1ccc(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)nc2)s1 ZINC000822823682 1450247307 /nfs/dbraw/zinc/24/73/07/1450247307.db2.gz XTNMTIMHAJLWLY-UHFFFAOYSA-N -1 0 389.400 3.239 20 30 GGEDRM N#Cc1cc(NC(=O)c2cc3ccccc3c(Cl)n2)ccc1-c1nnn[n-]1 ZINC000737710031 1450278788 /nfs/dbraw/zinc/27/87/88/1450278788.db2.gz UJRUFQRLOFBRJE-UHFFFAOYSA-N -1 0 375.779 3.192 20 30 GGEDRM C=C(C)Cn1c(Sc2cccc(F)c2-c2nn[n-]n2)nnc1-c1ccncc1 ZINC000819722370 1450278809 /nfs/dbraw/zinc/27/88/09/1450278809.db2.gz HRUTWAZFHICSLE-UHFFFAOYSA-N -1 0 394.439 3.387 20 30 GGEDRM C=CCOc1ccc(CNc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)cc1 ZINC000823932327 1450341795 /nfs/dbraw/zinc/34/17/95/1450341795.db2.gz UWHXQLURLWTCTO-UHFFFAOYSA-N -1 0 391.410 3.368 20 30 GGEDRM N#Cc1ccccc1C=CC(=O)OCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000822836975 1450345086 /nfs/dbraw/zinc/34/50/86/1450345086.db2.gz CMPBZNHDVNNSKT-FPLPWBNLSA-N -1 0 397.341 3.096 20 30 GGEDRM C#CC(C)(C)NC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000735375988 1450355457 /nfs/dbraw/zinc/35/54/57/1450355457.db2.gz VTFHINPYUOKWHZ-UHFFFAOYSA-N -1 0 381.823 3.454 20 30 GGEDRM CC(C)c1nc(-c2nn[n-]n2)c(N=NC(C)CCc2ccccc2[N+](=O)[O-])o1 ZINC000735993889 1450358153 /nfs/dbraw/zinc/35/81/53/1450358153.db2.gz UYAIRIPTVFCQBJ-UHFFFAOYSA-N -1 0 384.400 3.307 20 30 GGEDRM Oc1ccc(Cl)cc1C=NC1CCC(Oc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000826511316 1450382819 /nfs/dbraw/zinc/38/28/19/1450382819.db2.gz KMNJZRKMMMMGPQ-NHDPSOOVSA-N -1 0 398.854 3.430 20 30 GGEDRM N#Cc1ccsc1C(=O)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000826387877 1450418167 /nfs/dbraw/zinc/41/81/67/1450418167.db2.gz WRSVQWSGLGHYCL-UHFFFAOYSA-N -1 0 379.430 3.176 20 30 GGEDRM CCOc1cc(C=NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)ccc1O ZINC000736625599 1450433893 /nfs/dbraw/zinc/43/38/93/1450433893.db2.gz MSPPCGTTYYFGGZ-UHFFFAOYSA-N -1 0 392.341 3.436 20 30 GGEDRM C=CCc1ccc(OC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)c(OC)c1 ZINC000819758766 1450462800 /nfs/dbraw/zinc/46/28/00/1450462800.db2.gz GZUQTYZCOLNKPV-UHFFFAOYSA-N -1 0 394.431 3.367 20 30 GGEDRM CC[C@@H](C)n1ncc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)c1C1CC1 ZINC000825082085 1450513297 /nfs/dbraw/zinc/51/32/97/1450513297.db2.gz QBXKZLLLSWUEJD-LLVKDONJSA-N -1 0 376.424 3.036 20 30 GGEDRM C=C(C)CN(CC)C(=O)Nc1ccn(-c2ccc(-c3nnn[n-]3)cc2Cl)n1 ZINC000823878428 1450519737 /nfs/dbraw/zinc/51/97/37/1450519737.db2.gz YNTQGMKHCOKJTE-UHFFFAOYSA-N -1 0 386.847 3.136 20 30 GGEDRM C=CCOc1ccc(/C=C\C(=O)N[C@@]2(C(=O)[O-])CCc3ccccc32)cc1OC ZINC000737532798 939056536 /nfs/dbraw/zinc/05/65/36/939056536.db2.gz IEHDGBXLMZUHHW-IDWGIVCRSA-N -1 0 393.439 3.316 20 30 GGEDRM C=CCOc1ccc(/C=C\C(=O)N[C@]2(C(=O)[O-])CCc3ccccc32)cc1OC ZINC000737532804 939056612 /nfs/dbraw/zinc/05/66/12/939056612.db2.gz IEHDGBXLMZUHHW-VLRJHWBUSA-N -1 0 393.439 3.316 20 30 GGEDRM C=CCOc1ccc(/C=C/C(=O)N[C@@](C)(C(=O)[O-])c2ccccc2)cc1OC ZINC000766961743 939082801 /nfs/dbraw/zinc/08/28/01/939082801.db2.gz IZOVMYHCCCMQAM-UFSNDUKISA-N -1 0 381.428 3.389 20 30 GGEDRM C[C@](NC(=O)c1ccc(CC#N)cc1)(C(=O)[O-])c1cccc(Br)c1 ZINC000776651206 939097693 /nfs/dbraw/zinc/09/76/93/939097693.db2.gz IXUXUUFXRLZANA-GOSISDBHSA-N -1 0 387.233 3.245 20 30 GGEDRM C=CCOc1ccc(/C=C\C(=O)N[C@H](C(=O)[O-])c2ccc(OC)cc2)cc1OC ZINC000776655491 939101410 /nfs/dbraw/zinc/10/14/10/939101410.db2.gz LXSZYYKCEAFDPI-XITWRUSESA-N -1 0 397.427 3.224 20 30 GGEDRM C=CCOc1ccc(/C=C\C(=O)N[C@@H](C(=O)[O-])c2ccc(OC)cc2)cc1OC ZINC000776655495 939101444 /nfs/dbraw/zinc/10/14/44/939101444.db2.gz LXSZYYKCEAFDPI-YLKNVVCXSA-N -1 0 397.427 3.224 20 30 GGEDRM COc1cc(C#N)ccc1OCC(=O)N[C@@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC000431886280 939169204 /nfs/dbraw/zinc/16/92/04/939169204.db2.gz CTOYOPZWWOWTBP-OAQYLSRUSA-N -1 0 390.395 3.041 20 30 GGEDRM C=CCc1cc(CNC(=O)N[C@@](C)(C(=O)[O-])c2ccccc2)cc(OC)c1OC ZINC000797717293 939178771 /nfs/dbraw/zinc/17/87/71/939178771.db2.gz POILNDDPYHSNBD-JOCHJYFZSA-N -1 0 398.459 3.232 20 30 GGEDRM C=CCc1cc(CNC(=O)N[C@](C)(C(=O)[O-])c2ccccc2)cc(OC)c1OC ZINC000797717294 939178910 /nfs/dbraw/zinc/17/89/10/939178910.db2.gz POILNDDPYHSNBD-QFIPXVFZSA-N -1 0 398.459 3.232 20 30 GGEDRM C#CCOc1cccc(NC(=O)N[C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)c1 ZINC000797742724 939205064 /nfs/dbraw/zinc/20/50/64/939205064.db2.gz DMGBLVHVOLPQGL-INIZCTEOSA-N -1 0 376.771 3.439 20 30 GGEDRM C#CCOc1ccc(NC(=O)N[C@H](C(=O)[O-])c2ccc(OC)c(Cl)c2)cc1 ZINC000797742792 939205126 /nfs/dbraw/zinc/20/51/26/939205126.db2.gz GCDKAEDPRDCRJI-KRWDZBQOSA-N -1 0 388.807 3.308 20 30 GGEDRM C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@](CC)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000514778559 939238367 /nfs/dbraw/zinc/23/83/67/939238367.db2.gz UBMNYNNAPRUFCS-ACWOFJMJSA-N -1 0 380.872 3.310 20 30 GGEDRM C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@](CC)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000514778561 939238521 /nfs/dbraw/zinc/23/85/21/939238521.db2.gz UBMNYNNAPRUFCS-AZOIQLNYSA-N -1 0 380.872 3.310 20 30 GGEDRM C=CCc1cc(CNC(=O)NC2(C(=O)[O-])CCCCC2)cc(OC)c1OC ZINC000563921003 939342143 /nfs/dbraw/zinc/34/21/43/939342143.db2.gz OWMRGLYBZXCYEJ-UHFFFAOYSA-N -1 0 376.453 3.019 20 30 GGEDRM C=CC[C@@H](CC)NC(=O)N[C@@H](C(=O)[O-])c1c(C)nn(-c2ccc(F)cc2)c1C ZINC000572601159 939400845 /nfs/dbraw/zinc/40/08/45/939400845.db2.gz UGQHOWYFHHOGTK-CRAIPNDOSA-N -1 0 388.443 3.408 20 30 GGEDRM Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cnc(C(=O)[O-])cn1 ZINC001611157974 970918031 /nfs/dbraw/zinc/91/80/31/970918031.db2.gz JRUGRLLDAWXCSY-UHFFFAOYSA-N -1 0 388.383 3.186 20 30 GGEDRM N#C[C@@H](NC(=O)/C=C\c1ccc(C(=O)[O-])o1)c1ccc(OC(F)(F)F)cc1 ZINC001601047969 970923214 /nfs/dbraw/zinc/92/32/14/970923214.db2.gz GICNYKDQQZRSTN-FWPCIQOSSA-N -1 0 380.278 3.271 20 30 GGEDRM N#Cc1cccnc1NCc1cccc(C(=O)NC2(CC(=O)[O-])CCCCC2)c1 ZINC001601128035 970938457 /nfs/dbraw/zinc/93/84/57/970938457.db2.gz FMORZMUWBUYJIR-UHFFFAOYSA-N -1 0 392.459 3.473 20 30 GGEDRM N#Cc1cccnc1NCc1cccc(C(=O)NCc2cccc(C(=O)[O-])c2)c1 ZINC001601128428 970938661 /nfs/dbraw/zinc/93/86/61/970938661.db2.gz PXTYPKXCFDKFDO-UHFFFAOYSA-N -1 0 386.411 3.194 20 30 GGEDRM O=C([O-])[C@H](c1ccccc1)N1CC[C@@H](/N=C\c2c(O)ccc3ccccc32)C1=O ZINC001611361863 971008834 /nfs/dbraw/zinc/00/88/34/971008834.db2.gz KMGMEVUWVQAQJJ-MLMFELDYSA-N -1 0 388.423 3.391 20 30 GGEDRM C#C[C@@H](NC(=O)NCc1ccccc1C(=O)[O-])c1ccc(Br)cc1 ZINC001602672469 971237143 /nfs/dbraw/zinc/23/71/43/971237143.db2.gz MWMPPQOUDWBBFV-MRXNPFEDSA-N -1 0 387.233 3.321 20 30 GGEDRM CC(N=Nc1oc(C(C)(C)C)nc1-c1nnn[n-]1)c1ccc(F)cc1[N+](=O)[O-] ZINC000823962795 946527498 /nfs/dbraw/zinc/52/74/98/946527498.db2.gz OVYDUWKEQUKGDX-UHFFFAOYSA-N -1 0 388.363 3.036 20 30 GGEDRM C#CCN(CC(=O)[O-])C(=O)[C@@H](Sc1ccc(F)c(F)c1)c1ccccc1 ZINC001602679167 971257977 /nfs/dbraw/zinc/25/79/77/971257977.db2.gz KRZUNGKUOSQCMY-SFHVURJKSA-N -1 0 375.396 3.345 20 30 GGEDRM C#CCN(CC(=O)[O-])C(=O)Cc1csc(-c2c(Cl)cccc2Cl)n1 ZINC001602684143 971278756 /nfs/dbraw/zinc/27/87/56/971278756.db2.gz RJDONKMDHGIVSC-UHFFFAOYSA-N -1 0 383.256 3.206 20 30 GGEDRM C#CCN(CC(=O)[O-])C(=O)Nc1c(C)cc(Br)c2ccccc21 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CN(CCOc1ccc(OCc2ccccc2)cc1)C(=O)[C@](C)(C#N)CC(=O)[O-] ZINC001593754521 954439170 /nfs/dbraw/zinc/43/91/70/954439170.db2.gz KBZIGMQNUQBVJE-QFIPXVFZSA-N -1 0 396.443 3.107 20 30 GGEDRM O=C([O-])[C@@H]1CCN(C(=O)C#Cc2cccs2)c2ccc(Br)cc21 ZINC001594917673 954774331 /nfs/dbraw/zinc/77/43/31/954774331.db2.gz WHQUWHYHVNJOGI-CYBMUJFWSA-N -1 0 390.258 3.467 20 30 GGEDRM C=CCOc1ccc(/C=C/C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])cc1OC ZINC000769559965 955323497 /nfs/dbraw/zinc/32/34/97/955323497.db2.gz VYTQJBUONYQXSY-NCUBBLFSSA-N -1 0 381.428 3.085 20 30 GGEDRM C=CCOc1ccc(/C=C/C(=O)NC[C@](C)(C(=O)[O-])c2ccccc2)cc1OC ZINC000799251821 955354816 /nfs/dbraw/zinc/35/48/16/955354816.db2.gz SPOYTKBTDWDDRG-BWSGXRDBSA-N -1 0 395.455 3.432 20 30 GGEDRM Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC001594506071 955356431 /nfs/dbraw/zinc/35/64/31/955356431.db2.gz AALHHMYCXRHKIC-QGZVFWFLSA-N -1 0 375.384 3.075 20 30 GGEDRM C[C@@H](OC(=O)[C@@](C)(C#N)CC(=O)[O-])C(=O)Nc1ccccc1-c1ccccc1 ZINC000820160762 955466123 /nfs/dbraw/zinc/46/61/23/955466123.db2.gz ICRDYIFKEWFUTO-SPLOXXLWSA-N -1 0 380.400 3.228 20 30 GGEDRM C#CCOc1ccccc1CNC(=O)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000840986833 955568230 /nfs/dbraw/zinc/56/82/30/955568230.db2.gz NQIGZEPHEVRBFN-UHFFFAOYSA-N -1 0 392.455 3.486 20 30 GGEDRM C[C@@](CNC(=O)C#Cc1ccc(C(F)(F)F)cc1)(C(=O)[O-])c1ccccc1 ZINC001589039589 955582781 /nfs/dbraw/zinc/58/27/81/955582781.db2.gz OTLLRPCUXABNPO-IBGZPJMESA-N -1 0 375.346 3.216 20 30 GGEDRM Cn1cc([C@@H]2C[C@H](C(=O)[O-])CN(c3cc(C(F)(F)F)c(F)cc3C#N)C2)cn1 ZINC001594540315 955632427 /nfs/dbraw/zinc/63/24/27/955632427.db2.gz ZMIDXRDRVFILTF-NEPJUHHUSA-N -1 0 396.344 3.144 20 30 GGEDRM C=CCc1cc(C(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)cc(OC)c1OC ZINC000848453460 955742742 /nfs/dbraw/zinc/74/27/42/955742742.db2.gz MANUJEIRJRFCSP-VBNZEHGJSA-N -1 0 375.465 3.298 20 30 GGEDRM CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c1 ZINC000848579638 955751121 /nfs/dbraw/zinc/75/11/21/955751121.db2.gz KSPJORSSJMZFAQ-HUHSQHJXSA-N -1 0 387.480 3.302 20 30 GGEDRM C[C@@H](NC(=O)Cc1ccc(Br)cc1C#N)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589095828 955986784 /nfs/dbraw/zinc/98/67/84/955986784.db2.gz LLGCNKKPZDAFQE-WKPIXPDZSA-N -1 0 393.281 3.115 20 30 GGEDRM N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)c2ccc(C(=O)[O-])cc2)CC1 ZINC001594602159 956143153 /nfs/dbraw/zinc/14/31/53/956143153.db2.gz UVQFWHZRGNQMGR-SFHVURJKSA-N -1 0 383.835 3.061 20 30 GGEDRM N#C[C@@H](NC(=O)c1coc(/C=C\C(=O)[O-])c1)c1ccc(OC(F)(F)F)cc1 ZINC001594602649 956149997 /nfs/dbraw/zinc/14/99/97/956149997.db2.gz YJJUWDUJIPYXOG-GEXIGZQTSA-N -1 0 380.278 3.271 20 30 GGEDRM N#C[C@H](NC(=O)c1coc(/C=C\C(=O)[O-])c1)c1ccc(OC(F)(F)F)cc1 ZINC001594602654 956150002 /nfs/dbraw/zinc/15/00/02/956150002.db2.gz YJJUWDUJIPYXOG-GXMNPTEKSA-N -1 0 380.278 3.271 20 30 GGEDRM N#CCCC[C@H](NC(=O)C1=NN(c2ccccc2)[C@H](C(=O)[O-])C1)c1ccccc1 ZINC001594606041 956175859 /nfs/dbraw/zinc/17/58/59/956175859.db2.gz NEPLFDYBZYPBTP-ICSRJNTNSA-N -1 0 390.443 3.257 20 30 GGEDRM N#CCCC[C@@H](NC(=O)C1=NN(c2ccccc2)[C@H](C(=O)[O-])C1)c1ccccc1 ZINC001594606043 956176096 /nfs/dbraw/zinc/17/60/96/956176096.db2.gz NEPLFDYBZYPBTP-QUCCMNQESA-N -1 0 390.443 3.257 20 30 GGEDRM N#CCCC[C@H](NC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC001594606036 956176431 /nfs/dbraw/zinc/17/64/31/956176431.db2.gz NEPLFDYBZYPBTP-AZUAARDMSA-N -1 0 390.443 3.257 20 30 GGEDRM N#CCCCOc1cccnc1NC(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001594608872 956187787 /nfs/dbraw/zinc/18/77/87/956187787.db2.gz DQDYASAYNMIKSH-DLBZAZTESA-N -1 0 394.431 3.096 20 30 GGEDRM N#CCCN(C(=O)CCC(=O)Nc1cccc(CCC(=O)[O-])c1)c1ccccc1 ZINC001594609038 956188960 /nfs/dbraw/zinc/18/89/60/956188960.db2.gz KELPZQIHUPFZTB-UHFFFAOYSA-N -1 0 393.443 3.369 20 30 GGEDRM N#CCCCOc1cccc(NC(=O)C2=NN(c3ccccc3)[C@H](C(=O)[O-])C2)c1 ZINC001594609079 956190004 /nfs/dbraw/zinc/19/00/04/956190004.db2.gz MYVNSZCNITWHDA-IBGZPJMESA-N -1 0 392.415 3.027 20 30 GGEDRM N#CCCCn1cc(C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])c2ccccc21 ZINC001594609125 956190331 /nfs/dbraw/zinc/19/03/31/956190331.db2.gz PYCBTCLZWUGSIY-LJQANCHMSA-N -1 0 375.428 3.371 20 30 GGEDRM N#CCOc1ccc(CC(=O)N2C[C@@H](CCC(=O)[O-])Cc3ccccc32)cc1 ZINC001594609496 956192777 /nfs/dbraw/zinc/19/27/77/956192777.db2.gz AVOWFDADKIXJPQ-KRWDZBQOSA-N -1 0 378.428 3.202 20 30 GGEDRM N#CCc1ccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])c3ccccc32)c(Cl)c1 ZINC001594610855 956206727 /nfs/dbraw/zinc/20/67/27/956206727.db2.gz ARKXJUGOMSXKTK-CQSZACIVSA-N -1 0 390.848 3.173 20 30 GGEDRM N#CCc1ccc(OCc2cccc(NC(=O)C3(C(=O)[O-])CCOCC3)c2)cc1 ZINC001594611163 956211481 /nfs/dbraw/zinc/21/14/81/956211481.db2.gz HVMPQSZAGPBTAS-UHFFFAOYSA-N -1 0 394.427 3.152 20 30 GGEDRM N#CCc1ccc(OCc2ccccc2NC(=O)c2cc(C(=O)[O-])n[nH]2)cc1 ZINC001594611678 956219355 /nfs/dbraw/zinc/21/93/55/956219355.db2.gz XCIILDDKRNKLNZ-UHFFFAOYSA-N -1 0 376.372 3.005 20 30 GGEDRM N#Cc1c(F)cccc1-n1ccc(NC(=O)N2CCCC[C@H]2CCC(=O)[O-])n1 ZINC001594611803 956220392 /nfs/dbraw/zinc/22/03/92/956220392.db2.gz FSSVAOOFYYNSIA-ZDUSSCGKSA-N -1 0 385.399 3.134 20 30 GGEDRM N#Cc1cc(Br)cc(COC(=O)/C=C/c2ccc(C(=O)[O-])o2)c1 ZINC001594613874 956227274 /nfs/dbraw/zinc/22/72/74/956227274.db2.gz GKFCKKWJIXTEAS-DUXPYHPUSA-N -1 0 376.162 3.369 20 30 GGEDRM N#Cc1c(NC(=O)c2ccc(OCC(=O)[O-])cc2)cccc1OC(F)(F)F ZINC001594614513 956232220 /nfs/dbraw/zinc/23/22/20/956232220.db2.gz XNSBBEKYHBOBFF-UHFFFAOYSA-N -1 0 380.278 3.173 20 30 GGEDRM N#Cc1cc(F)c(OC(=O)c2coc(/C=C\C(=O)[O-])c2)c(Br)c1 ZINC001594615704 956234641 /nfs/dbraw/zinc/23/46/41/956234641.db2.gz CPLNWEJZRLSPKI-UPHRSURJSA-N -1 0 380.125 3.370 20 30 GGEDRM N#Cc1cc(NC(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)ccc1OC(F)(F)F ZINC001594616005 956237430 /nfs/dbraw/zinc/23/74/30/956237430.db2.gz KQZUUPHPVDHKHG-QWHCGFSZSA-N -1 0 383.326 3.031 20 30 GGEDRM N#Cc1cc(NC(=O)c2ccc(OCC(=O)[O-])cc2)ccc1OC(F)(F)F ZINC001594616610 956243038 /nfs/dbraw/zinc/24/30/38/956243038.db2.gz VPKUPWBHOOOADD-UHFFFAOYSA-N -1 0 380.278 3.173 20 30 GGEDRM N#Cc1ccc(-n2ccc(NC(=O)NCc3cccc(C(=O)[O-])c3)n2)c(Cl)c1 ZINC001594617489 956248992 /nfs/dbraw/zinc/24/89/92/956248992.db2.gz MVGGBAACLVVPRI-UHFFFAOYSA-N -1 0 395.806 3.417 20 30 GGEDRM N#Cc1ccc([C@@H]2CN(Cc3ccc(N4CCC[C@@H](C(=O)[O-])C4)o3)CCO2)cc1 ZINC001594618179 956262166 /nfs/dbraw/zinc/26/21/66/956262166.db2.gz HNICGGKJWQRCGD-QUCCMNQESA-N -1 0 395.459 3.026 20 30 GGEDRM N#Cc1ccc([C@H]2CN(Cc3ccc(N4CCC[C@@H](C(=O)[O-])C4)o3)CCO2)cc1 ZINC001594618180 956262201 /nfs/dbraw/zinc/26/22/01/956262201.db2.gz HNICGGKJWQRCGD-UYAOXDASSA-N -1 0 395.459 3.026 20 30 GGEDRM N#Cc1ccc(C2(NC(=O)Nc3cccc(CCC(=O)[O-])c3)CCOCC2)cc1 ZINC001594618645 956265928 /nfs/dbraw/zinc/26/59/28/956265928.db2.gz UTAMLYMGICBFMI-UHFFFAOYSA-N -1 0 393.443 3.403 20 30 GGEDRM N#Cc1ccc(CSc2nnc(NC(=O)[C@H]3CC[C@@H](C(=O)[O-])C3)s2)cc1 ZINC001594619996 956273139 /nfs/dbraw/zinc/27/31/39/956273139.db2.gz VTHKKRBMBMPOTG-QWHCGFSZSA-N -1 0 388.474 3.141 20 30 GGEDRM N#Cc1ccc(N2CCN(C(=O)Nc3ccccc3CC(=O)[O-])CC2)c(Cl)c1 ZINC001594620940 956280286 /nfs/dbraw/zinc/28/02/86/956280286.db2.gz AOFYQSRQDNRMOT-UHFFFAOYSA-N -1 0 398.850 3.193 20 30 GGEDRM N#Cc1ccc(N(Cc2ccccc2)C(=O)c2cccc(OCC(=O)[O-])c2)nc1 ZINC001594621604 956286313 /nfs/dbraw/zinc/28/63/13/956286313.db2.gz OAMZAQYOJKJABD-UHFFFAOYSA-N -1 0 387.395 3.264 20 30 GGEDRM N#Cc1ccc(OC2CCN(C(=O)NCc3ccccc3C(=O)[O-])CC2)c(F)c1 ZINC001594623586 956297653 /nfs/dbraw/zinc/29/76/53/956297653.db2.gz CCBLURARSUVZJH-UHFFFAOYSA-N -1 0 397.406 3.149 20 30 GGEDRM N#Cc1ccc(OCC(=O)Nc2ccccc2C(=O)[O-])cc1Br ZINC001594623629 956298474 /nfs/dbraw/zinc/29/84/74/956298474.db2.gz FOWGUEOHBWEBFH-UHFFFAOYSA-N -1 0 375.178 3.036 20 30 GGEDRM N#Cc1ccc(OC2CCC(NC(=O)Nc3cccc(CC(=O)[O-])c3)CC2)nc1 ZINC001594623636 956298826 /nfs/dbraw/zinc/29/88/26/956298826.db2.gz FUOOXCSEHHRRIY-UHFFFAOYSA-N -1 0 394.431 3.092 20 30 GGEDRM N#Cc1ccc(OC2CCC(NC(=O)Nc3ccc(C(=O)[O-])cc3F)CC2)nc1 ZINC001594624279 956303766 /nfs/dbraw/zinc/30/37/66/956303766.db2.gz XJBMQHVXBNQROJ-UHFFFAOYSA-N -1 0 398.394 3.302 20 30 GGEDRM N#Cc1ccc(OC2CCC(NC(=O)Nc3ccccc3C(=O)[O-])CC2)nc1 ZINC001594624304 956304061 /nfs/dbraw/zinc/30/40/61/956304061.db2.gz YQGSRTMAYSBKDT-UHFFFAOYSA-N -1 0 380.404 3.163 20 30 GGEDRM N#Cc1ccc(Nc2cccc(C(=O)N(CCC(=O)[O-])C3CCOCC3)c2)cc1 ZINC001594624303 956304144 /nfs/dbraw/zinc/30/41/44/956304144.db2.gz YPURIGVTDWYWMF-UHFFFAOYSA-N -1 0 393.443 3.398 20 30 GGEDRM N#Cc1cccc([C@H]2CN(C(=O)Nc3cccc(CCC(=O)[O-])c3)CCO2)c1 ZINC001594624991 956305080 /nfs/dbraw/zinc/30/50/80/956305080.db2.gz ACNSTDXSCODTCJ-LJQANCHMSA-N -1 0 379.416 3.181 20 30 GGEDRM N#Cc1cccc([C@H](NC(=O)c2cccc(OCC(=O)[O-])c2)C(F)(F)F)c1 ZINC001594625058 956306068 /nfs/dbraw/zinc/30/60/68/956306068.db2.gz BXNYAGOFSGJXKF-INIZCTEOSA-N -1 0 378.306 3.055 20 30 GGEDRM N#Cc1ccc(Oc2ccc(NC(=O)[C@H]3CC(C(=O)[O-])=NO3)cc2Cl)cc1 ZINC001594625035 956306999 /nfs/dbraw/zinc/30/69/99/956306999.db2.gz ISLDYPGGWYQXGO-MRXNPFEDSA-N -1 0 385.763 3.172 20 30 GGEDRM N#Cc1cccc(C(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)c1Br ZINC001594625386 956309379 /nfs/dbraw/zinc/30/93/79/956309379.db2.gz GDGHTLXLAJERGT-JKSUJKDBSA-N -1 0 399.244 3.261 20 30 GGEDRM N#Cc1cccc(-c2nnc(N3CCC(C(=O)[O-])CC3)n2Cc2cccs2)c1 ZINC001594627214 956321820 /nfs/dbraw/zinc/32/18/20/956321820.db2.gz NTNAEBGHVMVUMA-UHFFFAOYSA-N -1 0 393.472 3.228 20 30 GGEDRM N#Cc1cccc(COc2ccc(NC(=O)C3(C(=O)[O-])CCOCC3)cc2F)c1 ZINC001594628260 956329167 /nfs/dbraw/zinc/32/91/67/956329167.db2.gz GPFSQRKLLGSOSG-UHFFFAOYSA-N -1 0 398.390 3.096 20 30 GGEDRM N#Cc1cccc(NC(=O)c2cccc(OCC(=O)[O-])c2)c1Br ZINC001594628350 956329910 /nfs/dbraw/zinc/32/99/10/956329910.db2.gz MBAHKXWSVHVTGW-UHFFFAOYSA-N -1 0 375.178 3.036 20 30 GGEDRM N#Cc1cccnc1NCc1cccc(C(=O)NC2(C(=O)[O-])CCCCC2)c1 ZINC001594631697 956344220 /nfs/dbraw/zinc/34/42/20/956344220.db2.gz LIKPGCQJZUFSDH-UHFFFAOYSA-N -1 0 378.432 3.083 20 30 GGEDRM N#Cc1cccnc1OC1CCC(NC(=O)Nc2cccc(C(=O)[O-])c2)CC1 ZINC001594631649 956344294 /nfs/dbraw/zinc/34/42/94/956344294.db2.gz KKXBIOTULMNMQV-UHFFFAOYSA-N -1 0 380.404 3.163 20 30 GGEDRM N#Cc1ccccc1Sc1ccc(C(=O)NC2(C(=O)[O-])CCOCC2)cc1 ZINC001594632281 956351595 /nfs/dbraw/zinc/35/15/95/956351595.db2.gz UPGVLCMEJUXYOE-UHFFFAOYSA-N -1 0 382.441 3.073 20 30 GGEDRM N#Cc1nc(NC(=O)Nc2cccc(CCC(=O)[O-])c2)ccc1Br ZINC001594634958 956365265 /nfs/dbraw/zinc/36/52/65/956365265.db2.gz DRPNNYNPTNJGNZ-UHFFFAOYSA-N -1 0 389.209 3.377 20 30 GGEDRM CC1(C(=O)[O-])CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cn3)cc2)CC1 ZINC001589192782 956602833 /nfs/dbraw/zinc/60/28/33/956602833.db2.gz OSYUONZJXDKYRT-UHFFFAOYSA-N -1 0 380.404 3.464 20 30 GGEDRM C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CC[C@H](C(=O)[O-])[C@@H](C)C1 ZINC001603118837 972199127 /nfs/dbraw/zinc/19/91/27/972199127.db2.gz LKWWQRYWMXCJIA-ZNMIVQPWSA-N -1 0 375.494 3.062 20 30 GGEDRM C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](Cc1ccncc1)C(=O)[O-] ZINC001603118857 972199262 /nfs/dbraw/zinc/19/92/62/972199262.db2.gz LTHRIHPFZCGWMW-BBRMVZONSA-N -1 0 384.461 3.293 20 30 GGEDRM CC1(C)C[C@]1(C(=O)[O-])C(=O)N[C@@H](C#N)c1ccc(OCc2ccccc2)cc1 ZINC001589213257 956712610 /nfs/dbraw/zinc/71/26/10/956712610.db2.gz QQPDTILJCYIAIG-PGRDOPGGSA-N -1 0 378.428 3.447 20 30 GGEDRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)N[C@@H](C#N)c1ccc(OCc2ccccc2)cc1 ZINC001589213254 956713179 /nfs/dbraw/zinc/71/31/79/956713179.db2.gz QQPDTILJCYIAIG-AVRDEDQJSA-N -1 0 378.428 3.447 20 30 GGEDRM COCCN(CCC(=O)[O-])C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC001594005886 956973669 /nfs/dbraw/zinc/97/36/69/956973669.db2.gz MNWSNRKKXSBVEZ-UHFFFAOYSA-N -1 0 383.404 3.306 20 30 GGEDRM COCCN(CCC(=O)[O-])C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 ZINC001594008249 956984258 /nfs/dbraw/zinc/98/42/58/956984258.db2.gz PFKBQNFOWRRWMV-UHFFFAOYSA-N -1 0 382.416 3.108 20 30 GGEDRM C=CCn1c(SCC(=O)Nc2cccc(C(=O)[O-])c2)nnc1-c1ccoc1C ZINC000013346385 957034820 /nfs/dbraw/zinc/03/48/20/957034820.db2.gz XKZAGFYOFAHLIG-UHFFFAOYSA-N -1 0 398.444 3.462 20 30 GGEDRM C=CCc1ccc(OCC(=O)N2CCCc3c(C(=O)[O-])cccc32)c(OC)c1 ZINC000013390218 957043499 /nfs/dbraw/zinc/04/34/99/957043499.db2.gz IZWADZIYDHZWRX-UHFFFAOYSA-N -1 0 381.428 3.480 20 30 GGEDRM C[C@@](CNC(=O)NC1(c2ccc(C#N)cc2)CCC1)(C(=O)[O-])c1ccccc1 ZINC001603176593 972278655 /nfs/dbraw/zinc/27/86/55/972278655.db2.gz KUVOCGWAKPHJDD-NRFANRHFSA-N -1 0 377.444 3.279 20 30 GGEDRM C[C@](CNC(=O)NC1(c2ccc(C#N)cc2)CCC1)(C(=O)[O-])c1ccccc1 ZINC001603176594 972278862 /nfs/dbraw/zinc/27/88/62/972278862.db2.gz KUVOCGWAKPHJDD-OAQYLSRUSA-N -1 0 377.444 3.279 20 30 GGEDRM C[C@](CNC(=O)c1ccc(Br)cc1C#N)(C(=O)[O-])c1ccccc1 ZINC001603185156 972288892 /nfs/dbraw/zinc/28/88/92/972288892.db2.gz QPPOKHDLKBNXRL-GOSISDBHSA-N -1 0 387.233 3.093 20 30 GGEDRM Cc1cc(C(=O)[O-])cc(C(=O)N2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)c1 ZINC001594283406 957760926 /nfs/dbraw/zinc/76/09/26/957760926.db2.gz CWOLIAMBMYCWLG-LJQANCHMSA-N -1 0 397.862 3.369 20 30 GGEDRM Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)c1cnc(C(=O)[O-])cn1 ZINC001594311316 958025298 /nfs/dbraw/zinc/02/52/98/958025298.db2.gz RFULUHSLVKMRGW-UHFFFAOYSA-N -1 0 390.374 3.341 20 30 GGEDRM C#CC[C@]1(C(=O)Nc2ccc(C(=O)[O-])cc2F)CCCN1C(=O)OC(C)(C)C ZINC001588392388 958032628 /nfs/dbraw/zinc/03/26/28/958032628.db2.gz YXFRXBOTVHWMLU-HXUWFJFHSA-N -1 0 390.411 3.255 20 30 GGEDRM Cc1cc(NC(=O)NC[C@@](C)(C(=O)[O-])c2ccccc2)c(C#N)cc1N(C)C ZINC001594319070 958106622 /nfs/dbraw/zinc/10/66/22/958106622.db2.gz AKHAUZKMYFPKTI-OAQYLSRUSA-N -1 0 380.448 3.097 20 30 GGEDRM C#CCN(CC(=O)[O-])C(=O)N[C@@H](c1ccc(Cl)cc1Cl)C(F)(F)F ZINC001588409114 958123190 /nfs/dbraw/zinc/12/31/90/958123190.db2.gz BZJCUABRCUHUBT-LBPRGKRZSA-N -1 0 383.153 3.326 20 30 GGEDRM Cc1cc(NC(=O)NC2(c3cccc(C#N)c3)CCOCC2)ccc1C(=O)[O-] ZINC001594320431 958123890 /nfs/dbraw/zinc/12/38/90/958123890.db2.gz NMFZPGWMAFMTEV-UHFFFAOYSA-N -1 0 379.416 3.392 20 30 GGEDRM C#CCN(CC(=O)[O-])C(=O)N[C@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC001588409631 958130741 /nfs/dbraw/zinc/13/07/41/958130741.db2.gz IIOJZWPMASVMNN-HNNXBMFYSA-N -1 0 387.436 3.056 20 30 GGEDRM Cc1cc(NC(=O)Nc2ccc(S(=O)(=O)[C@@H](C)C#N)cc2)ccc1C(=O)[O-] ZINC001594323032 958135689 /nfs/dbraw/zinc/13/56/89/958135689.db2.gz ARCRLLXVMQTRAB-LBPRGKRZSA-N -1 0 387.417 3.023 20 30 GGEDRM C#CCN(CC(=O)[O-])C(=O)N[C@H]1CCCc2sc(-c3ccc(F)cc3)nc21 ZINC001588410062 958135965 /nfs/dbraw/zinc/13/59/65/958135965.db2.gz ORSRTPNYBBIJAU-AWEZNQCLSA-N -1 0 387.436 3.056 20 30 GGEDRM C#CCN(CC(=O)[O-])C(=O)N[C@H](c1ccc(Br)cc1)C1CCC1 ZINC001588410245 958137403 /nfs/dbraw/zinc/13/74/03/958137403.db2.gz QYWDNIMSQZCAML-INIZCTEOSA-N -1 0 379.254 3.020 20 30 GGEDRM C#CCN(CC(=O)[O-])C(=O)c1cnc(Nc2ccc(Cl)cc2)c(Cl)c1 ZINC001588418376 958178050 /nfs/dbraw/zinc/17/80/50/958178050.db2.gz CUGVUFLTFNVHMO-UHFFFAOYSA-N -1 0 378.215 3.292 20 30 GGEDRM Cc1cc(OC(=O)C2=NN(c3ccccc3)[C@@H](C(=O)[O-])C2)c(C)c(C)c1C#N ZINC001594326863 958181483 /nfs/dbraw/zinc/18/14/83/958181483.db2.gz KMNJEUWEJIKSHL-GOSISDBHSA-N -1 0 377.400 3.108 20 30 GGEDRM C#CCN(CC(=O)[O-])C(=O)c1ccsc1NC(=O)c1ccc(C(C)C)cc1 ZINC001588418863 958186774 /nfs/dbraw/zinc/18/67/74/958186774.db2.gz HJRUBAKFZJMPML-UHFFFAOYSA-N -1 0 384.457 3.284 20 30 GGEDRM COc1ccc(Br)c2sc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])nc21 ZINC001594075438 958218655 /nfs/dbraw/zinc/21/86/55/958218655.db2.gz QMUBRKVWRLDGEK-CQSZACIVSA-N -1 0 398.238 3.010 20 30 GGEDRM Cc1ccc(-c2nn(CCC#N)cc2C(=O)NC[C@H](C(=O)[O-])C(C)C)cc1C ZINC001594337594 958279611 /nfs/dbraw/zinc/27/96/11/958279611.db2.gz MEZLRSWAHVPHBO-KRWDZBQOSA-N -1 0 382.464 3.167 20 30 GGEDRM Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)cc1C ZINC001594337576 958279890 /nfs/dbraw/zinc/27/98/90/958279890.db2.gz LKXVOBIBOSQVIJ-SJLPKXTDSA-N -1 0 394.475 3.263 20 30 GGEDRM Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCC[C@@H](CC(=O)[O-])C2)cc1C ZINC001594337941 958281486 /nfs/dbraw/zinc/28/14/86/958281486.db2.gz SNQCJQRTZCGEHL-KRWDZBQOSA-N -1 0 394.475 3.408 20 30 GGEDRM C=C(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC(C(=O)[O-])CC1 ZINC001588441593 958338081 /nfs/dbraw/zinc/33/80/81/958338081.db2.gz DESAJENAFDYHOX-UHFFFAOYSA-N -1 0 390.871 3.484 20 30 GGEDRM C=C(C)Cn1c(-c2cccc3cccnc32)nnc1N1CCC(C(=O)[O-])CC1 ZINC001588443766 958356749 /nfs/dbraw/zinc/35/67/49/958356749.db2.gz XAXLSENUZCDFKJ-UHFFFAOYSA-N -1 0 377.448 3.370 20 30 GGEDRM C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CCC(C)(C)C)C(=O)[O-] ZINC001588445880 958377137 /nfs/dbraw/zinc/37/71/37/958377137.db2.gz UTCUQAGPIPAVQI-CHWSQXEVSA-N -1 0 390.908 3.418 20 30 GGEDRM C=CC1(CC(=O)NC2(C(=O)[O-])CCCCCC2)CN(C(=O)OC(C)(C)C)C1 ZINC001588452711 958425848 /nfs/dbraw/zinc/42/58/48/958425848.db2.gz QTAMGPCZJYZIIN-UHFFFAOYSA-N -1 0 380.485 3.093 20 30 GGEDRM C=CC1(CC(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])CN(C(=O)OC(C)(C)C)C1 ZINC001588452799 958427697 /nfs/dbraw/zinc/42/76/97/958427697.db2.gz RGADLGXKSLDEAI-CQSZACIVSA-N -1 0 382.501 3.195 20 30 GGEDRM C#CCN(CC(=O)[O-])C(=O)N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC001573317423 958449276 /nfs/dbraw/zinc/44/92/76/958449276.db2.gz HHNLLFXBBQKPML-GFCCVEGCSA-N -1 0 382.260 3.038 20 30 GGEDRM C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC001588457717 958453917 /nfs/dbraw/zinc/45/39/17/958453917.db2.gz BHGZAACAHZOQGR-INIZCTEOSA-N -1 0 376.453 3.251 20 30 GGEDRM C=CC[C@@]1(C(=O)NCC(CC)(CC)C(=O)[O-])CCCN1C(=O)OC(C)(C)C ZINC001588458079 958458520 /nfs/dbraw/zinc/45/85/20/958458520.db2.gz QCYNCTOBXWRVDX-FQEVSTJZSA-N -1 0 382.501 3.339 20 30 GGEDRM C=CC[C@@]1(C(=O)N2CCC(C)(C(=O)[O-])CC2)CCCN1C(=O)OC(C)(C)C ZINC001588458131 958458805 /nfs/dbraw/zinc/45/88/05/958458805.db2.gz QYMNCHIITXQVRX-FQEVSTJZSA-N -1 0 380.485 3.046 20 30 GGEDRM C=CC[C@@]1(C(=O)Nc2cncc(C(=O)[O-])c2)CCCN1C(=O)OC(C)(C)C ZINC001588458333 958460118 /nfs/dbraw/zinc/46/01/18/958460118.db2.gz SEMYVULEJJFUDN-IBGZPJMESA-N -1 0 375.425 3.064 20 30 GGEDRM C#CCN(CC(=O)[O-])C(=O)Nc1cc(C)n(-c2ccc(Cl)cc2Cl)n1 ZINC001573318272 958462159 /nfs/dbraw/zinc/46/21/59/958462159.db2.gz UGUBPWSZZOGGRR-UHFFFAOYSA-N -1 0 381.219 3.039 20 30 GGEDRM C=CC[C@]1(C(=O)N2CCC[C@H](CC(=O)[O-])C2)CCCN1C(=O)OC(C)(C)C ZINC001588458747 958465432 /nfs/dbraw/zinc/46/54/32/958465432.db2.gz YREOLICPEMTKOM-FOIQADDNSA-N -1 0 380.485 3.046 20 30 GGEDRM C#CCN(CC(=O)[O-])CC(=O)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1 ZINC001573320832 958478490 /nfs/dbraw/zinc/47/84/90/958478490.db2.gz OXRCOKHATQOPQS-UHFFFAOYSA-N -1 0 393.468 3.230 20 30 GGEDRM C#Cc1cccc(N(Cc2ccccc2)C(=O)[C@H]2CO[C@H](CCC(=O)[O-])C2)c1 ZINC001573327246 958488015 /nfs/dbraw/zinc/48/80/15/958488015.db2.gz IZVNKDSBNFGLIL-TZIWHRDSSA-N -1 0 377.440 3.471 20 30 GGEDRM C#Cc1cccc(N(Cc2ccccc2)C(=O)[C@H]2CO[C@@H](CCC(=O)[O-])C2)c1 ZINC001573327207 958488442 /nfs/dbraw/zinc/48/84/42/958488442.db2.gz IZVNKDSBNFGLIL-CTNGQTDRSA-N -1 0 377.440 3.471 20 30 GGEDRM C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@](C)(C(=O)[O-])c1ccccc1 ZINC001588464418 958492108 /nfs/dbraw/zinc/49/21/08/958492108.db2.gz PMPZYVLERRVWSP-QFIPXVFZSA-N -1 0 377.444 3.298 20 30 GGEDRM C=C(C)[C@@H](NC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)[O-])C1)c1ccc(F)c(F)c1 ZINC001573327918 958492892 /nfs/dbraw/zinc/49/28/92/958492892.db2.gz XWYONIDVWWFPIJ-RTBURBONSA-N -1 0 399.397 3.418 20 30 GGEDRM C=CCCN(OCc1ccccc1)C(=O)NC[C@@H]1CCC2(CC(C(=O)[O-])C2)O1 ZINC001573328242 958497801 /nfs/dbraw/zinc/49/78/01/958497801.db2.gz DKKMLARSKRVJGV-WBTXTPOCSA-N -1 0 388.464 3.118 20 30 GGEDRM Cc1ccc(N(CCC#N)C(=O)CN[C@H](C(=O)[O-])c2ccc(F)cc2)cc1C ZINC001594367827 958504295 /nfs/dbraw/zinc/50/42/95/958504295.db2.gz YLCRYASTJUUVTN-FQEVSTJZSA-N -1 0 383.423 3.105 20 30 GGEDRM C=CCNC(=O)c1ccc(NC(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)cc1 ZINC001588465583 958506629 /nfs/dbraw/zinc/50/66/29/958506629.db2.gz UXXINNQOHMVTSV-ROUUACIJSA-N -1 0 379.416 3.037 20 30 GGEDRM C=CCNC(=O)c1ccc(NC(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)cc1 ZINC001588465581 958506735 /nfs/dbraw/zinc/50/67/35/958506735.db2.gz UXXINNQOHMVTSV-MSOLQXFVSA-N -1 0 379.416 3.037 20 30 GGEDRM C=CCOc1cn(-c2ccccc2)nc1C(=O)Nc1ccc(O)c(C(=O)[O-])c1 ZINC001588469380 958514722 /nfs/dbraw/zinc/51/47/22/958514722.db2.gz BORZSEVMOFZXOM-UHFFFAOYSA-N -1 0 379.372 3.093 20 30 GGEDRM C=CCc1cc(OC)ccc1OC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)[O-])C1 ZINC001573337926 958526973 /nfs/dbraw/zinc/52/69/73/958526973.db2.gz YEXCHWYOYBLLNP-GOSISDBHSA-N -1 0 380.400 3.049 20 30 GGEDRM C=CCn1c(=O)c2c(-c3ccccc3)csc2nc1SCC(=O)C(=O)[O-] ZINC001588472560 958545041 /nfs/dbraw/zinc/54/50/41/958545041.db2.gz OVGCDDKQERKHRN-UHFFFAOYSA-N -1 0 386.454 3.057 20 30 GGEDRM C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC001573362343 958598727 /nfs/dbraw/zinc/59/87/27/958598727.db2.gz ACPYEFSFZIXAPA-YWZLYKJASA-N -1 0 395.434 3.145 20 30 GGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(OC(F)(F)F)cc1Br ZINC001573364167 958612864 /nfs/dbraw/zinc/61/28/64/958612864.db2.gz MZEYCKDZXRDGDR-LBPRGKRZSA-N -1 0 395.131 3.291 20 30 GGEDRM Cc1cccc(C(=O)[O-])c1NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 ZINC001594388263 958695342 /nfs/dbraw/zinc/69/53/42/958695342.db2.gz UDRFXBWIHHAYBS-ZDUSSCGKSA-N -1 0 397.818 3.210 20 30 GGEDRM CC(C)(C)CC[C@@H](NC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)C(=O)[O-] ZINC001573395441 958715232 /nfs/dbraw/zinc/71/52/32/958715232.db2.gz NDCIZULECAKXKT-CQSZACIVSA-N -1 0 387.415 3.284 20 30 GGEDRM CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)Nc1ccccc1C(=O)[O-] ZINC001573436864 958806321 /nfs/dbraw/zinc/80/63/21/958806321.db2.gz BZNYXPMATGRHTP-HNNXBMFYSA-N -1 0 375.425 3.301 20 30 GGEDRM CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC001573436947 958806737 /nfs/dbraw/zinc/80/67/37/958806737.db2.gz FJJYUBGRAJWLDC-HZPDHXFCSA-N -1 0 395.500 3.210 20 30 GGEDRM COc1ncc(NC(=O)N2CCC(c3ccccc3C(=O)[O-])CC2)cc1C#N ZINC001594160538 958882461 /nfs/dbraw/zinc/88/24/61/958882461.db2.gz NWHIDFAXWGZCPD-UHFFFAOYSA-N -1 0 380.404 3.072 20 30 GGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N[C@H]1CCCc2sc(-c3ccc(F)cc3)nc21 ZINC001588539031 958949634 /nfs/dbraw/zinc/94/96/34/958949634.db2.gz UOEFDYUGBSDMPV-ORAYPTAESA-N -1 0 387.436 3.447 20 30 GGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1CCCc2sc(-c3ccc(F)cc3)nc21 ZINC001588539029 958950041 /nfs/dbraw/zinc/95/00/41/958950041.db2.gz UOEFDYUGBSDMPV-BFUOFWGJSA-N -1 0 387.436 3.447 20 30 GGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1nc(-c2ccccc2C(F)(F)F)ns1 ZINC001588539928 958955371 /nfs/dbraw/zinc/95/53/71/958955371.db2.gz GNRGMJRZMWCBEP-AWEZNQCLSA-N -1 0 384.339 3.167 20 30 GGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1nnc(-c2ccc(C(F)(F)F)cc2)s1 ZINC001588540179 958958285 /nfs/dbraw/zinc/95/82/85/958958285.db2.gz RDJVFIRKMOEKGU-AWEZNQCLSA-N -1 0 384.339 3.167 20 30 GGEDRM CC(C)(C)c1cc(Br)cc(NC(=O)[C@](C)(C#N)CC(=O)[O-])c1O ZINC001588541528 958963670 /nfs/dbraw/zinc/96/36/70/958963670.db2.gz FMJRKABWBQXUSX-INIZCTEOSA-N -1 0 383.242 3.395 20 30 GGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)NCc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC001588542007 958967109 /nfs/dbraw/zinc/96/71/09/958967109.db2.gz QCSCATDCYLTFAF-MRXNPFEDSA-N -1 0 397.378 3.450 20 30 GGEDRM C[C@H](C(=O)N(CCC#N)c1ccccc1)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC001588545165 958994796 /nfs/dbraw/zinc/99/47/96/958994796.db2.gz OMHBAZUEDJOYQZ-OXQOHEQNSA-N -1 0 377.444 3.006 20 30 GGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)NCc1cc(C(F)(F)F)ccc1Br ZINC001588558395 959085968 /nfs/dbraw/zinc/08/59/68/959085968.db2.gz SAAKLIVWWJPFHK-ZDUSSCGKSA-N -1 0 393.159 3.089 20 30 GGEDRM CSc1nn(-c2ccccc2)c(NC(=O)c2ccc(C(=O)[O-])cc2)c1C#N ZINC001594199068 959226057 /nfs/dbraw/zinc/22/60/57/959226057.db2.gz VINXWXNCDIVZIW-UHFFFAOYSA-N -1 0 378.413 3.416 20 30 GGEDRM C[C@H](CC#N)Sc1ccccc1NC(=O)CN1C[C@@H](C(=O)[O-])CC[C@@H]1C ZINC001573577644 959338952 /nfs/dbraw/zinc/33/89/52/959338952.db2.gz XRPJHIPPAZNIIF-ZNMIVQPWSA-N -1 0 375.494 3.204 20 30 GGEDRM Cc1nc(NC(=O)[C@](C)(C#N)CC(=O)[O-])sc1Cc1ccc(F)c(F)c1F ZINC001594456729 959422720 /nfs/dbraw/zinc/42/27/20/959422720.db2.gz RBYQMQUWVOQXAU-KRWDZBQOSA-N -1 0 397.378 3.403 20 30 GGEDRM Cc1nc(SCC(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])c(C#N)c(C)c1C ZINC001594460565 959454585 /nfs/dbraw/zinc/45/45/85/959454585.db2.gz DGQVBJAKBIDGSQ-OAHLLOKOSA-N -1 0 377.510 3.366 20 30 GGEDRM Cc1nc(SCC(=O)N[C@H](C(=O)[O-])c2ccc(F)cc2)c(C#N)c(C)c1C ZINC001594460903 959458778 /nfs/dbraw/zinc/45/87/78/959458778.db2.gz QDWHMIUXRCLYJK-KRWDZBQOSA-N -1 0 387.436 3.052 20 30 GGEDRM C[C@@H](NS(=O)(=O)c1c(C#N)sc2ccccc21)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001573630128 959548656 /nfs/dbraw/zinc/54/86/56/959548656.db2.gz HOUFVOVALJWITD-KGYLQXTDSA-N -1 0 392.502 3.187 20 30 GGEDRM Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2coc(/C=C/C(=O)[O-])c2)c1C ZINC001594476457 959600836 /nfs/dbraw/zinc/60/08/36/959600836.db2.gz AJHAIFZUWNHJML-BQYQJAHWSA-N -1 0 376.372 3.304 20 30 GGEDRM Cc1c(C)n(C2CCCCC2)c(NC(=O)CN([C@@H](C)C(=O)[O-])C2CC2)c1C#N ZINC001594252651 959624415 /nfs/dbraw/zinc/62/44/15/959624415.db2.gz DZTXOTFCASGTQC-HNNXBMFYSA-N -1 0 386.496 3.358 20 30 GGEDRM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)NCc1ccc(C(=O)[O-])cc1 ZINC001594268526 959772117 /nfs/dbraw/zinc/77/21/17/959772117.db2.gz CTWQBISDEGIOPP-UHFFFAOYSA-N -1 0 386.454 3.258 20 30 GGEDRM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)NCc1ccccc1C(=O)[O-] ZINC001594268600 959773023 /nfs/dbraw/zinc/77/30/23/959773023.db2.gz JRUZDCUEVWGHHQ-UHFFFAOYSA-N -1 0 386.454 3.258 20 30 GGEDRM O=C([O-])C1CC2(C1)CC[C@H](CNC(=O)c1ccc(C#Cc3ccccc3)cc1)O2 ZINC001605768683 972457186 /nfs/dbraw/zinc/45/71/86/972457186.db2.gz BVDKARVYHMHTMO-ZPGVXSSASA-N -1 0 389.451 3.229 20 30 GGEDRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)Nc2ccc(Oc3ccc(C#N)cn3)cc2)C1 ZINC001573698593 959807538 /nfs/dbraw/zinc/80/75/38/959807538.db2.gz NTMSUZAYSPILNK-DZGCQCFKSA-N -1 0 380.404 3.320 20 30 GGEDRM C[C@@H]1CN(C(=O)c2ccc(OCc3ccccc3C#N)cc2)CC[C@@H]1C(=O)[O-] ZINC001573749999 960546765 /nfs/dbraw/zinc/54/67/65/960546765.db2.gz YIHBFGWUYGAFOR-QRWLVFNGSA-N -1 0 378.428 3.320 20 30 GGEDRM CSc1ccc(CNC(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)cc1C#N ZINC001574257647 960547687 /nfs/dbraw/zinc/54/76/87/960547687.db2.gz SYOVSZMIZJSLTP-DLBZAZTESA-N -1 0 381.457 3.393 20 30 GGEDRM CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2ccccc2CC(=O)[O-])ccc1OC ZINC001573759732 960602276 /nfs/dbraw/zinc/60/22/76/960602276.db2.gz TXMKQQFZVDUFNT-INIZCTEOSA-N -1 0 397.431 3.325 20 30 GGEDRM Cc1c(Cl)cccc1N=C1SCCN1C(=O)[C@H]1CO[C@H](CCC(=O)[O-])C1 ZINC001574298024 960708735 /nfs/dbraw/zinc/70/87/35/960708735.db2.gz VVLLBASMVDPRCR-CHWSQXEVSA-N -1 0 396.896 3.481 20 30 GGEDRM CC(C)(C)CC(=O)NCC(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC000236588290 960712630 /nfs/dbraw/zinc/71/26/30/960712630.db2.gz QUQQUVBYOZPMGB-UHFFFAOYSA-N -1 0 392.455 3.276 20 30 GGEDRM CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)OCc1ccc(C(=O)[O-])cc1 ZINC001588706599 960845019 /nfs/dbraw/zinc/84/50/19/960845019.db2.gz NWRDXCJBUKHMEP-MRXNPFEDSA-N -1 0 390.436 3.405 20 30 GGEDRM CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)NC1(C(=O)[O-])CCCCCC1 ZINC001588706609 960845775 /nfs/dbraw/zinc/84/57/75/960845775.db2.gz OFYYTCPXEZJRIM-HNNXBMFYSA-N -1 0 395.500 3.257 20 30 GGEDRM CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)Nc1ccccc1CC(=O)[O-] ZINC001588707292 960865430 /nfs/dbraw/zinc/86/54/30/960865430.db2.gz ZAAXJAKXSGJCIA-MRXNPFEDSA-N -1 0 389.452 3.229 20 30 GGEDRM Cc1cc(N(CCC#N)C(=O)CN2CCC[C@@H](C)[C@@H]2C(=O)[O-])ccc1Cl ZINC001574332539 960893980 /nfs/dbraw/zinc/89/39/80/960893980.db2.gz AIBNVQKORZPHAN-FZKQIMNGSA-N -1 0 377.872 3.080 20 30 GGEDRM Cc1noc(CCC(=O)Nc2cccc(C#Cc3cccc(C(=O)[O-])c3)c2)n1 ZINC000237685437 960995895 /nfs/dbraw/zinc/99/58/95/960995895.db2.gz JNBUTSPIUUIAOW-UHFFFAOYSA-N -1 0 375.384 3.047 20 30 GGEDRM CC(C)(C)OC(=O)N[C@@H]1C[C@H]1c1ccc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])cc1 ZINC001588725709 961043481 /nfs/dbraw/zinc/04/34/81/961043481.db2.gz PMPGBPISRWTIKW-BXTJHSDWSA-N -1 0 387.436 3.010 20 30 GGEDRM C=CCOc1ccccc1CNC(=O)c1cc(C(=O)[O-])nn1-c1ccccc1 ZINC000238173888 961144496 /nfs/dbraw/zinc/14/44/96/961144496.db2.gz KKANZROCCDBUPW-UHFFFAOYSA-N -1 0 377.400 3.065 20 30 GGEDRM CC(C)(C)c1cc(NC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)n(-c2ccc(C#N)cc2)n1 ZINC001588739226 961146276 /nfs/dbraw/zinc/14/62/76/961146276.db2.gz HCGXXQHIZNSGKN-HDJSIYSDSA-N -1 0 381.436 3.026 20 30 GGEDRM Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001574444112 961440575 /nfs/dbraw/zinc/44/05/75/961440575.db2.gz RPWZDPBXQDZENQ-WBVHZDCISA-N -1 0 375.384 3.293 20 30 GGEDRM Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001574444111 961440628 /nfs/dbraw/zinc/44/06/28/961440628.db2.gz RPWZDPBXQDZENQ-RDJZCZTQSA-N -1 0 375.384 3.293 20 30 GGEDRM N#C[C@H](NC(=O)c1coc(/C=C\C(=O)[O-])c1)c1cccc(Br)c1 ZINC001574473970 961635496 /nfs/dbraw/zinc/63/54/96/961635496.db2.gz GYYROJITAPEDPE-WSNITJDQSA-N -1 0 375.178 3.135 20 30 GGEDRM N#C[C@H](NC(=O)Cc1ccccc1C(=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC001574474172 961637308 /nfs/dbraw/zinc/63/73/08/961637308.db2.gz JYOVSAVRMGNTCQ-HNNXBMFYSA-N -1 0 378.306 3.207 20 30 GGEDRM N#C[C@@H](NC(=O)Cc1ccccc1C(=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC001574474179 961638001 /nfs/dbraw/zinc/63/80/01/961638001.db2.gz JYOVSAVRMGNTCQ-OAHLLOKOSA-N -1 0 378.306 3.207 20 30 GGEDRM N#CCCCN1C(=O)CCc2cc(NC(=O)/C=C\c3ccc(C(=O)[O-])o3)ccc21 ZINC001574480244 961660291 /nfs/dbraw/zinc/66/02/91/961660291.db2.gz CRJMQZTWSPYAQU-TWGQIWQCSA-N -1 0 393.399 3.213 20 30 GGEDRM N#Cc1ccc(-n2ccc(NC(=O)c3cccc(OCC(=O)[O-])c3)n2)c(Cl)c1 ZINC001574485864 961679335 /nfs/dbraw/zinc/67/93/35/961679335.db2.gz LMNAXVSCXWVZNQ-UHFFFAOYSA-N -1 0 396.790 3.113 20 30 GGEDRM N#Cc1ccc(OC(F)F)c(NC(=O)N[C@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC001574487795 961689205 /nfs/dbraw/zinc/68/92/05/961689205.db2.gz HZOITIYVUNVHSI-AWEZNQCLSA-N -1 0 379.294 3.246 20 30 GGEDRM N#Cc1ccc(N2CCC(C(=O)N3CCCC[C@@H]3CCC(=O)[O-])CC2)c(F)c1 ZINC001574487831 961691655 /nfs/dbraw/zinc/69/16/55/961691655.db2.gz JDNWNZXFWZLVNU-QGZVFWFLSA-N -1 0 387.455 3.160 20 30 GGEDRM N#Cc1ccc(CSc2nnc(NC(=O)C3(C(=O)[O-])CC=CC3)s2)cc1 ZINC001574488187 961692349 /nfs/dbraw/zinc/69/23/49/961692349.db2.gz MJIWXPNQQFGPKR-UHFFFAOYSA-N -1 0 386.458 3.062 20 30 GGEDRM N#Cc1ccccc1NC(=O)CCCC(=O)N1CC[C@@H](C(=O)[O-])c2ccccc21 ZINC001574488682 961699545 /nfs/dbraw/zinc/69/95/45/961699545.db2.gz DYSYKQUKAAMWQX-QGZVFWFLSA-N -1 0 391.427 3.272 20 30 GGEDRM N#Cc1ccccc1NC(=O)CCCC(=O)N1CC[C@H](C(=O)[O-])c2ccccc21 ZINC001574488679 961699749 /nfs/dbraw/zinc/69/97/49/961699749.db2.gz DYSYKQUKAAMWQX-KRWDZBQOSA-N -1 0 391.427 3.272 20 30 GGEDRM N#Cc1cccnc1NCc1cccc(C(=O)NCc2ccc(C(=O)[O-])cc2)c1 ZINC001574494087 961724867 /nfs/dbraw/zinc/72/48/67/961724867.db2.gz WFTMSIMCJWKIEV-UHFFFAOYSA-N -1 0 386.411 3.194 20 30 GGEDRM C=CCOC[C@H](NC(=O)C1(c2cc(C(F)(F)F)ccc2Cl)CC1)C(=O)[O-] ZINC000262871771 961942794 /nfs/dbraw/zinc/94/27/94/961942794.db2.gz BJRNLTJJSJARSC-ZDUSSCGKSA-N -1 0 391.773 3.162 20 30 GGEDRM CC(C)C[C@@H](CNC(=O)c1cccc(CNc2ncccc2C#N)c1)C(=O)[O-] ZINC001588859114 961991585 /nfs/dbraw/zinc/99/15/85/961991585.db2.gz YFZNOGJGSSFFKM-SFHVURJKSA-N -1 0 380.448 3.042 20 30 GGEDRM CC(C)C[C@H](CNC(=O)c1cccc(CNc2ncccc2C#N)c1)C(=O)[O-] ZINC001588859113 961992111 /nfs/dbraw/zinc/99/21/11/961992111.db2.gz YFZNOGJGSSFFKM-GOSISDBHSA-N -1 0 380.448 3.042 20 30 GGEDRM N#Cc1ccc(OCC(=O)N2CCC(Cc3ccccc3C(=O)[O-])CC2)cc1 ZINC000262951343 962036617 /nfs/dbraw/zinc/03/66/17/962036617.db2.gz IJWZREKIDZXIOC-UHFFFAOYSA-N -1 0 378.428 3.117 20 30 GGEDRM C=CCc1cc(CNC(=O)N2CCC[C@@H](CCC(=O)[O-])C2)cc(OC)c1OC ZINC001339710030 962063025 /nfs/dbraw/zinc/06/30/25/962063025.db2.gz NRLPEARAFYRXCS-HNNXBMFYSA-N -1 0 390.480 3.219 20 30 GGEDRM CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CCC2(CC(C(=O)[O-])C2)O1 ZINC001588871025 962079361 /nfs/dbraw/zinc/07/93/61/962079361.db2.gz GNLHYNNLVRTAIP-LVIWNVNYSA-N -1 0 399.491 3.138 20 30 GGEDRM N#Cc1ccc(CSCC(=O)N2C[C@@H](C(=O)[O-])[C@@H](c3ccccc3)C2)cc1 ZINC000263014559 962118912 /nfs/dbraw/zinc/11/89/12/962118912.db2.gz XOOQAKGNPWPIRJ-RTBURBONSA-N -1 0 380.469 3.118 20 30 GGEDRM CC(C)C[C@@H](NC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1)C(=O)[O-] ZINC001588882243 962160669 /nfs/dbraw/zinc/16/06/69/962160669.db2.gz ZGCFZUDSOCBKLC-MRXNPFEDSA-N -1 0 391.899 3.434 20 30 GGEDRM CC(C)C[C@H](CNS(=O)(=O)c1c(C#N)sc2ccccc21)CC(=O)[O-] ZINC001588898624 962237620 /nfs/dbraw/zinc/23/76/20/962237620.db2.gz NODCRQJSXSIQRV-LBPRGKRZSA-N -1 0 380.491 3.188 20 30 GGEDRM COC(=O)c1cccc(C#Cc2cccc(NC(=O)C3(C(=O)[O-])CC=CC3)c2)c1 ZINC001574091621 962346799 /nfs/dbraw/zinc/34/67/99/962346799.db2.gz NFNZYEHWUPMPSJ-UHFFFAOYSA-N -1 0 389.407 3.233 20 30 GGEDRM CC(C)Oc1ccc(C#N)cc1NC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)[O-])C1 ZINC001588936458 962506176 /nfs/dbraw/zinc/50/61/76/962506176.db2.gz RDJCIUSPBXJBPZ-GOSISDBHSA-N -1 0 392.415 3.003 20 30 GGEDRM CC(C)[C@@H](NC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1)C(=O)[O-] ZINC001588946809 962559466 /nfs/dbraw/zinc/55/94/66/962559466.db2.gz NCUBENXPUQLUTL-QGZVFWFLSA-N -1 0 383.452 3.272 20 30 GGEDRM C#CCCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[C@H](C(=O)[O-])C1 ZINC001573302005 962642225 /nfs/dbraw/zinc/64/22/25/962642225.db2.gz OCLSCVVIRRYGCW-INIZCTEOSA-N -1 0 391.475 3.151 20 30 GGEDRM C#CC[C@@H](COC)NC(=O)Nc1c(OCc2ccccc2)cccc1C(=O)[O-] ZINC001573302366 962651928 /nfs/dbraw/zinc/65/19/28/962651928.db2.gz MHFWKEDCLBLIOZ-INIZCTEOSA-N -1 0 382.416 3.124 20 30 GGEDRM C#CC[C@H](COC)NC(=O)Nc1c(OCc2ccccc2)cccc1C(=O)[O-] ZINC001573302367 962652044 /nfs/dbraw/zinc/65/20/44/962652044.db2.gz MHFWKEDCLBLIOZ-MRXNPFEDSA-N -1 0 382.416 3.124 20 30 GGEDRM C#CC[C@@H](NC(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C(=O)[O-] ZINC001573302853 962665307 /nfs/dbraw/zinc/66/53/07/962665307.db2.gz GVQHXJSIXXBEFY-CQSZACIVSA-N -1 0 378.306 3.099 20 30 GGEDRM C#CCN(CC(=O)Nc1sc2c(c1C(=O)[O-])CCC2)[C@H]1CCc2ccccc21 ZINC001573310703 962688609 /nfs/dbraw/zinc/68/86/09/962688609.db2.gz BMEYHJSFBRGIJS-KRWDZBQOSA-N -1 0 394.496 3.496 20 30 GGEDRM C#CCN(CC(=O)NCc1ccc(NC(=O)[O-])cc1)[C@H]1CCCc2ccccc21 ZINC001573311114 962694479 /nfs/dbraw/zinc/69/44/79/962694479.db2.gz HYSBFJKYJLBCJA-NRFANRHFSA-N -1 0 391.471 3.406 20 30 GGEDRM C#CCN(CC(=O)NCc1ccc(NC(=O)[O-])cc1)[C@@H]1CCCc2ccccc21 ZINC001573311118 962694817 /nfs/dbraw/zinc/69/48/17/962694817.db2.gz HYSBFJKYJLBCJA-OAQYLSRUSA-N -1 0 391.471 3.406 20 30 GGEDRM C#CCOc1ccc(CNC(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)cc1 ZINC001573311647 962709889 /nfs/dbraw/zinc/70/98/89/962709889.db2.gz DCUVQQHXVRSEIE-UHFFFAOYSA-N -1 0 388.807 3.137 20 30 GGEDRM C#Cc1ccc(CNS(=O)(=O)c2c(Cl)cc(Cl)cc2C(=O)[O-])cc1 ZINC001573311892 962715402 /nfs/dbraw/zinc/71/54/02/962715402.db2.gz IRWJFPZSGQZINO-UHFFFAOYSA-N -1 0 384.240 3.151 20 30 GGEDRM C#Cc1ccc(S(=O)(=O)N(C)[C@@H](C(=O)[O-])c2cccc(Cl)c2Cl)cc1 ZINC001573313301 962728146 /nfs/dbraw/zinc/72/81/46/962728146.db2.gz FZIZCIWGTLSHRI-MRXNPFEDSA-N -1 0 398.267 3.421 20 30 GGEDRM C=C(C)C[C@H](NC(=O)C[C@H](NC(=O)c1ccc(C)cc1)c1ccccc1)C(=O)[O-] ZINC001573319799 962747159 /nfs/dbraw/zinc/74/71/59/962747159.db2.gz ATENHYXXOZPQAE-PMACEKPBSA-N -1 0 394.471 3.392 20 30 GGEDRM C=C(C)C[C@H](NC(=O)c1cc(-c2ccc(Br)cc2)no1)C(=O)[O-] ZINC001573321178 962754450 /nfs/dbraw/zinc/75/44/50/962754450.db2.gz JKFZFNIWDZIYDK-ZDUSSCGKSA-N -1 0 379.210 3.253 20 30 GGEDRM C=C(C)C[C@@H](NC(=O)c1cc(C)nc2cc(Br)ccc21)C(=O)[O-] ZINC001573321311 962756997 /nfs/dbraw/zinc/75/69/97/962756997.db2.gz LGJYGZIRYZKYER-OAHLLOKOSA-N -1 0 377.238 3.455 20 30 GGEDRM C=C(C)C[C@@H](NC(=O)c1cc(-c2cccc(Br)c2)no1)C(=O)[O-] ZINC001573321554 962760775 /nfs/dbraw/zinc/76/07/75/962760775.db2.gz OTIFQKZWQJVPFU-CYBMUJFWSA-N -1 0 379.210 3.253 20 30 GGEDRM C=C(C)C[C@H](NC(=O)c1cccc(OCc2cn3ccccc3n2)c1)C(=O)[O-] ZINC001573323952 962778706 /nfs/dbraw/zinc/77/87/06/962778706.db2.gz JTLYRKUUHFLBMD-SFHVURJKSA-N -1 0 379.416 3.063 20 30 GGEDRM C=C(C)C[C@H](NC(=O)c1nc(C(C)C)n(-c2ccccc2Cl)n1)C(=O)[O-] ZINC001573324016 962779391 /nfs/dbraw/zinc/77/93/91/962779391.db2.gz LUZXJSOQNIPWKX-ZDUSSCGKSA-N -1 0 376.844 3.193 20 30 GGEDRM C=C(C)C[C@@H](NC(=O)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O)C(=O)[O-] ZINC001573324690 962789159 /nfs/dbraw/zinc/78/91/59/962789159.db2.gz XLOOWJNWEHEEIE-OAHLLOKOSA-N -1 0 392.814 3.278 20 30 GGEDRM C=C(CCC(=O)[O-])C(=O)N(CCNC(=O)OC(C)(C)C)CCc1ccccc1 ZINC001573325643 962798132 /nfs/dbraw/zinc/79/81/32/962798132.db2.gz MHNXGPZNSASVAI-UHFFFAOYSA-N -1 0 390.480 3.003 20 30 GGEDRM COc1cc(CN(C)C(=O)[C@](C)(C#N)CC(=O)[O-])ccc1OCc1ccccc1 ZINC001574181824 962813112 /nfs/dbraw/zinc/81/31/12/962813112.db2.gz IJJXSESWQTWCLJ-QFIPXVFZSA-N -1 0 396.443 3.237 20 30 GGEDRM C=C(CCC(=O)[O-])C(=O)N[C@@H](C)c1ccc(OCc2ccncc2)c(OC)c1 ZINC001573332378 962831227 /nfs/dbraw/zinc/83/12/27/962831227.db2.gz MRRFVJROSARUHD-HNNXBMFYSA-N -1 0 384.432 3.267 20 30 GGEDRM C=C(CCC(=O)[O-])C(=O)N1CCC(Nc2cccc(Br)c2)CC1 ZINC001573332976 962847412 /nfs/dbraw/zinc/84/74/12/962847412.db2.gz UUQFAEQPFOCPCC-UHFFFAOYSA-N -1 0 381.270 3.273 20 30 GGEDRM C=C(CCC(=O)[O-])C(=O)N(Cc1cccc(Br)c1)C1CCOCC1 ZINC001573333213 962852893 /nfs/dbraw/zinc/85/28/93/962852893.db2.gz YKAVUZDWBSMZOR-UHFFFAOYSA-N -1 0 396.281 3.378 20 30 GGEDRM C=CCCC[C@H](NC(=O)[C@H]1CCCC[C@]1(C)NC(=O)OC(C)(C)C)C(=O)[O-] ZINC001573357644 963019152 /nfs/dbraw/zinc/01/91/52/963019152.db2.gz PZSVMINSLGYZNY-SIFCLUCFSA-N -1 0 382.501 3.386 20 30 GGEDRM C=CCCC[C@H](NC(=O)[C@@H]1C[C@H]1C1CCN(C(=O)OC(C)(C)C)CC1)C(=O)[O-] ZINC001573358040 963024754 /nfs/dbraw/zinc/02/47/54/963024754.db2.gz WFZYBKKNULDDBQ-BBWFWOEESA-N -1 0 394.512 3.195 20 30 GGEDRM C=CCCC[C@H](NC(=O)CCc1cnc(NC(=O)OC(C)(C)C)s1)C(=O)[O-] ZINC001573358075 963024875 /nfs/dbraw/zinc/02/48/75/963024875.db2.gz WPVRTHRSJJBRSP-ZDUSSCGKSA-N -1 0 397.497 3.348 20 30 GGEDRM C=CCCc1ccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@H]32)cc1 ZINC001573360429 963036696 /nfs/dbraw/zinc/03/66/96/963036696.db2.gz OOUAULZCLWBSNZ-GBESFXJTSA-N -1 0 377.506 3.459 20 30 GGEDRM C=CCCc1ccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@@H]32)cc1 ZINC001573360430 963036790 /nfs/dbraw/zinc/03/67/90/963036790.db2.gz OOUAULZCLWBSNZ-QYZOEREBSA-N -1 0 377.506 3.459 20 30 GGEDRM C=CCN(CC=C)C(=O)c1ccc(NC(=O)/C=C\c2ccc(C(=O)[O-])o2)cc1 ZINC001573360552 963040126 /nfs/dbraw/zinc/04/01/26/963040126.db2.gz RRKKGUCGVMWSJR-BENRWUELSA-N -1 0 380.400 3.444 20 30 GGEDRM C=CCCC[C@@H](NC(=O)c1ccn(-c2cccc(C(F)(F)F)c2)n1)C(=O)[O-] ZINC001573366713 963061951 /nfs/dbraw/zinc/06/19/51/963061951.db2.gz PDBCNLDRQSXTMD-OAHLLOKOSA-N -1 0 381.354 3.430 20 30 GGEDRM C=CCCC[C@@H](NS(=O)(=O)c1ccc(OC(F)F)c(Cl)c1)C(=O)[O-] ZINC001573367152 963064159 /nfs/dbraw/zinc/06/41/59/963064159.db2.gz SLGDMFNZGGEDDT-LLVKDONJSA-N -1 0 383.800 3.029 20 30 GGEDRM C=CCCC[C@H](NS(=O)(=O)c1ccc(OC(F)F)c(Cl)c1)C(=O)[O-] ZINC001573367158 963064231 /nfs/dbraw/zinc/06/42/31/963064231.db2.gz SLGDMFNZGGEDDT-NSHDSACASA-N -1 0 383.800 3.029 20 30 GGEDRM C=CCN(Cc1cccc(C#N)c1)C(=O)NCc1ccc(Cl)c(C(=O)[O-])n1 ZINC001573368469 963079440 /nfs/dbraw/zinc/07/94/40/963079440.db2.gz MHGLAKAFPJRKIB-UHFFFAOYSA-N -1 0 384.823 3.203 20 30 GGEDRM C=CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC(C(=O)[O-])CC1 ZINC001573379214 963107163 /nfs/dbraw/zinc/10/71/63/963107163.db2.gz YDNQBKOYTQLLKJ-UHFFFAOYSA-N -1 0 378.379 3.034 20 30 GGEDRM C#CCCCCC(=O)N[C@@]1(C(=O)[O-])CCc2cc(Br)ccc2C1 ZINC001588440160 964034923 /nfs/dbraw/zinc/03/49/23/964034923.db2.gz MUEJXQGBWOGRGA-SFHVURJKSA-N -1 0 378.266 3.071 20 30 GGEDRM C#CCCCCC(=O)N[C@]1(C(=O)[O-])CCc2cc(Br)ccc2C1 ZINC001588440152 964035213 /nfs/dbraw/zinc/03/52/13/964035213.db2.gz MUEJXQGBWOGRGA-GOSISDBHSA-N -1 0 378.266 3.071 20 30 GGEDRM C=C(C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC(C(=O)[O-])CC1 ZINC001588443876 964062821 /nfs/dbraw/zinc/06/28/21/964062821.db2.gz YVHRSCPVSXYDQQ-UHFFFAOYSA-N -1 0 384.480 3.351 20 30 GGEDRM C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(CC(=O)[O-])CCCCC1 ZINC001588445574 964067263 /nfs/dbraw/zinc/06/72/63/964067263.db2.gz LCQPNOLBPWUDIO-CYBMUJFWSA-N -1 0 388.892 3.316 20 30 GGEDRM C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001588445761 964067295 /nfs/dbraw/zinc/06/72/95/964067295.db2.gz RUCQXQIZTGWYJP-KBPBESRZSA-N -1 0 388.892 3.126 20 30 GGEDRM C#CCCCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CC[C@H](C(=O)[O-])C1 ZINC001588446287 964071176 /nfs/dbraw/zinc/07/11/76/964071176.db2.gz FZIVDFNYBWABCW-INIZCTEOSA-N -1 0 391.475 3.065 20 30 GGEDRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)C1 ZINC000263135037 967852412 /nfs/dbraw/zinc/85/24/12/967852412.db2.gz NOIGUKTVXOEMLU-UONOGXRCSA-N -1 0 380.404 3.320 20 30 GGEDRM C#CCN(CC(=O)[O-])C(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000317744487 967987184 /nfs/dbraw/zinc/98/71/84/967987184.db2.gz XQIULYRIXPPNDI-UHFFFAOYSA-N -1 0 379.132 3.020 20 30 GGEDRM C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cccc(OCC(=O)[O-])c2)cc1 ZINC000538476195 968403252 /nfs/dbraw/zinc/40/32/52/968403252.db2.gz XGRGUJASPZASJM-UHFFFAOYSA-N -1 0 394.427 3.217 20 30 GGEDRM Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCC2(C(=O)[O-])CCC2)cc1C ZINC000738251506 969141676 /nfs/dbraw/zinc/14/16/76/969141676.db2.gz LONPUWLGAPOTDB-UHFFFAOYSA-N -1 0 380.448 3.065 20 30 GGEDRM C=C(C)COc1cccc(NC(=O)N2C[C@@H](c3cnn(C)c3)C[C@H](C(=O)[O-])C2)c1 ZINC000864592219 969333214 /nfs/dbraw/zinc/33/32/14/969333214.db2.gz VEAGTYLPEIWJRS-HOTGVXAUSA-N -1 0 398.463 3.097 20 30 GGEDRM CSc1ccc(CNC(=O)NC[C@@](C)(C(=O)[O-])c2ccccc2)cc1C#N ZINC001604964738 972552291 /nfs/dbraw/zinc/55/22/91/972552291.db2.gz CMPHRAJTLJLQNS-HXUWFJFHSA-N -1 0 383.473 3.122 20 30 GGEDRM CC1(C(=O)[O-])CCN(C(=O)c2ccc(OCc3ccccc3C#N)cc2)CC1 ZINC001603301129 972575742 /nfs/dbraw/zinc/57/57/42/972575742.db2.gz CCSICVGEYAWGHD-UHFFFAOYSA-N -1 0 378.428 3.464 20 30 GGEDRM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC001605857374 972606944 /nfs/dbraw/zinc/60/69/44/972606944.db2.gz ISVNSEIXGBZXJN-OAQYLSRUSA-N -1 0 385.423 3.299 20 30 GGEDRM C=CC[C@H](CC)NC(=O)Nc1cc(I)cc(C(=O)[O-])c1 ZINC000393764704 972638713 /nfs/dbraw/zinc/63/87/13/972638713.db2.gz RIULEOQWYLHHLX-NSHDSACASA-N -1 0 388.205 3.466 20 30 GGEDRM CC1(C)C[C@@]1(C(=O)[O-])C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 ZINC001603324188 972669760 /nfs/dbraw/zinc/66/97/60/972669760.db2.gz XPIBMCPMHFUVSP-KRWDZBQOSA-N -1 0 388.474 3.141 20 30 GGEDRM COC(=O)[C@H](c1cccc(C#N)c1)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC001604271700 972829256 /nfs/dbraw/zinc/82/92/56/972829256.db2.gz MUZKAYITBJQQHU-FQEVSTJZSA-N -1 0 378.428 3.350 20 30 GGEDRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)Nc2cccc(Oc3ccc(C#N)cn3)c2)C1 ZINC001603363738 972842956 /nfs/dbraw/zinc/84/29/56/972842956.db2.gz ABPQRAVWCKUVJI-UKRRQHHQSA-N -1 0 380.404 3.320 20 30 GGEDRM Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C1(C(=O)[O-])CCOCC1 ZINC001605219888 972970015 /nfs/dbraw/zinc/97/00/15/972970015.db2.gz SCQJFXQQJYLSGB-UHFFFAOYSA-N -1 0 380.400 3.479 20 30 GGEDRM Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCCC(C)(C)C(=O)[O-])cc1C ZINC001605237689 972992776 /nfs/dbraw/zinc/99/27/76/972992776.db2.gz ILOZDMMYZDTIEG-UHFFFAOYSA-N -1 0 382.464 3.311 20 30 GGEDRM C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC001603388694 972994545 /nfs/dbraw/zinc/99/45/45/972994545.db2.gz OOLZVVLMZXJMCD-DZGCQCFKSA-N -1 0 380.404 3.463 20 30 GGEDRM Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)cc1C ZINC001605237864 972994640 /nfs/dbraw/zinc/99/46/40/972994640.db2.gz PWXCJXRUROASGP-YJBOKZPZSA-N -1 0 394.475 3.263 20 30 GGEDRM C[C@@H]1CCCN(C(=O)c2cccc(OCc3ccccc3C#N)c2)[C@H]1C(=O)[O-] ZINC001603409090 973082039 /nfs/dbraw/zinc/08/20/39/973082039.db2.gz HBRJOKCYLFJHST-FOIQADDNSA-N -1 0 378.428 3.463 20 30 GGEDRM COC(=O)c1cccc(C#Cc2cccc(NC(=O)[C@@]3(C(=O)[O-])CC3(C)C)c2)c1 ZINC001604400216 973134951 /nfs/dbraw/zinc/13/49/51/973134951.db2.gz UQSLLQHNAIMHDS-HSZRJFAPSA-N -1 0 391.423 3.312 20 30 GGEDRM C[C@@H]1CN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)CC[C@@H]1C(=O)[O-] ZINC001603450450 973253703 /nfs/dbraw/zinc/25/37/03/973253703.db2.gz GISPUKFPGNEEKS-DYVFJYSZSA-N -1 0 380.404 3.320 20 30 GGEDRM C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC001603462420 973316036 /nfs/dbraw/zinc/31/60/36/973316036.db2.gz YOCRBKFVEFSDLH-MGPQQGTHSA-N -1 0 389.521 3.258 20 30 GGEDRM O=C([O-])CC[C@@H]1CCCCN1C(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC001606117644 973351044 /nfs/dbraw/zinc/35/10/44/973351044.db2.gz XVVZYHQFGWUFBU-INIZCTEOSA-N -1 0 382.382 3.486 20 30 GGEDRM CC[C@H](C#N)Oc1cc(CNC(=O)c2cc(C)cc(C(=O)[O-])c2)ccc1OC ZINC001603488276 973417992 /nfs/dbraw/zinc/41/79/92/973417992.db2.gz JDTRKRQLOWXSSB-QGZVFWFLSA-N -1 0 382.416 3.313 20 30 GGEDRM COC[C@@]1(C(=O)[O-])CCN(C(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)C1 ZINC001604536030 973510676 /nfs/dbraw/zinc/51/06/76/973510676.db2.gz UQDZGEXROYWXMS-JOCHJYFZSA-N -1 0 394.427 3.222 20 30 GGEDRM Cn1cc(-c2csc(NC(=O)/C=C\c3ccccc3C#N)c2C(=O)[O-])cn1 ZINC001605477144 973592727 /nfs/dbraw/zinc/59/27/27/973592727.db2.gz OOEKYTYSMKZNMV-SREVYHEPSA-N -1 0 378.413 3.370 20 30 GGEDRM COCCN(CCC(=O)[O-])C(=O)Nc1cnc(Oc2ccccc2C#N)cc1C ZINC001604600042 973701707 /nfs/dbraw/zinc/70/17/07/973701707.db2.gz BFWZQSWJNWTWAH-UHFFFAOYSA-N -1 0 398.419 3.009 20 30 GGEDRM Cn1ncc(C(=O)[O-])c1CN(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC001605550225 973764100 /nfs/dbraw/zinc/76/41/00/973764100.db2.gz NKDFILLVYGNXMX-UHFFFAOYSA-N -1 0 378.407 3.331 20 30 GGEDRM CON(C(=O)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)[C@@H](C)C(=O)[O-] ZINC001604661306 973833645 /nfs/dbraw/zinc/83/36/45/973833645.db2.gz RJUGOVCMVJZSQU-ZETCQYMHSA-N -1 0 391.239 3.453 20 30 GGEDRM N#CCOc1cccc(CC(=O)N2C[C@H](CCC(=O)[O-])Cc3ccccc32)c1 ZINC001605585382 973876414 /nfs/dbraw/zinc/87/64/14/973876414.db2.gz AIFJUSBIQIPNEL-QGZVFWFLSA-N -1 0 378.428 3.202 20 30 GGEDRM N#Cc1cc(NC(=O)N[C@H](Cc2ccccc2)C(=O)[O-])ccc1OC(F)(F)F ZINC001605597446 973899483 /nfs/dbraw/zinc/89/94/83/973899483.db2.gz RBMPLOOHYYSSDR-CQSZACIVSA-N -1 0 393.321 3.274 20 30 GGEDRM N#CCOc1ccccc1C(=O)Nc1cc(C(=O)[O-])ccc1Br ZINC001605601541 973904554 /nfs/dbraw/zinc/90/45/54/973904554.db2.gz RHLGYBHMOHVBHC-UHFFFAOYSA-N -1 0 375.178 3.302 20 30 GGEDRM N#Cc1ccc(N(C(=O)C2=NN(c3ccccc3)[C@H](C(=O)[O-])C2)C2CCC2)cc1 ZINC001605611126 973914405 /nfs/dbraw/zinc/91/44/05/973914405.db2.gz GULTURSJJHXKIC-FQEVSTJZSA-N -1 0 388.427 3.163 20 30 GGEDRM N#Cc1ccc(N(C(=O)C2=NN(c3ccccc3)[C@@H](C(=O)[O-])C2)C2CCC2)cc1 ZINC001605611127 973914517 /nfs/dbraw/zinc/91/45/17/973914517.db2.gz GULTURSJJHXKIC-HXUWFJFHSA-N -1 0 388.427 3.163 20 30 GGEDRM N#Cc1ccc(Oc2ccc(C(=O)N3CCC[C@H](CCC(=O)[O-])C3)cc2)nc1 ZINC001605611695 973922002 /nfs/dbraw/zinc/92/20/02/973922002.db2.gz CNPZGFKRJBVHDG-OAHLLOKOSA-N -1 0 379.416 3.463 20 30 GGEDRM 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GGEDRM COc1ccc2c(c1)nc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])n2Cc1ccccc1 ZINC001604843640 974086207 /nfs/dbraw/zinc/08/62/07/974086207.db2.gz LJJGPISOMGHMAK-OAQYLSRUSA-N -1 0 392.415 3.036 20 30 GGEDRM CCN(C(=O)C1=NN(c2ccccc2)[C@@H](C(=O)[O-])C1)[C@@H](C)c1ccc(C#N)cc1 ZINC001603706287 974115970 /nfs/dbraw/zinc/11/59/70/974115970.db2.gz WWXOYYUDXPXDMS-MGPUTAFESA-N -1 0 390.443 3.187 20 30 GGEDRM CCN(C(=O)Nc1cccc(C#Cc2cccc(C(=O)OC)c2)c1)[C@H](C)C(=O)[O-] ZINC001603715058 974130094 /nfs/dbraw/zinc/13/00/94/974130094.db2.gz ALPAOQDYHJYLKQ-OAHLLOKOSA-N -1 0 394.427 3.200 20 30 GGEDRM C=CCOc1ccc(C(=O)N[C@H](C)[C@@H](Cc2ccccc2)C(=O)[O-])cc1OC ZINC000455921075 974170174 /nfs/dbraw/zinc/17/01/74/974170174.db2.gz FNLUGZBTMYVXIR-CRAIPNDOSA-N -1 0 383.444 3.322 20 30 GGEDRM C=CCOc1ccc(C(=O)N[C@@H](C)[C@H](Cc2ccccc2)C(=O)[O-])cc1OC ZINC000455921079 974170180 /nfs/dbraw/zinc/17/01/80/974170180.db2.gz FNLUGZBTMYVXIR-YJBOKZPZSA-N -1 0 383.444 3.322 20 30 GGEDRM C[C@@H](NC(=O)CSCc1ccc(C#N)cc1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000455928487 974170220 /nfs/dbraw/zinc/17/02/20/974170220.db2.gz GXTJZYCUDQRFMR-BEFAXECRSA-N -1 0 382.485 3.240 20 30 GGEDRM C=C(C)[C@@H](NS(=O)(=O)c1ccc(C(=O)[O-])c(F)c1)c1ccc(F)c(F)c1 ZINC000478259186 974205032 /nfs/dbraw/zinc/20/50/32/974205032.db2.gz PNVHJRDPWOILSG-MRXNPFEDSA-N -1 0 385.363 3.398 20 30 GGEDRM Cc1c(NS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)cccc1C(=O)[O-] ZINC000485213970 974224259 /nfs/dbraw/zinc/22/42/59/974224259.db2.gz VDBAUFAPDWQOCF-UHFFFAOYSA-N -1 0 384.335 3.385 20 30 GGEDRM C=CCOc1ccc(C(=O)NC[C@H](Cc2cccc(F)c2)C(=O)[O-])cc1OC ZINC000485799017 974237833 /nfs/dbraw/zinc/23/78/33/974237833.db2.gz UZOCIOILXCDFHA-INIZCTEOSA-N -1 0 387.407 3.072 20 30 GGEDRM CCCNc1ccc(C#N)cc1NS(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000489739542 974253055 /nfs/dbraw/zinc/25/30/55/974253055.db2.gz OJMVTFBTTGOXFV-UHFFFAOYSA-N -1 0 377.397 3.018 20 30 GGEDRM CC[C@](NC(=O)[C@@H](C)Oc1ccccc1C#N)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000507286442 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0 380.469 3.046 20 30 GGEDRM Cc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000577336325 974834426 /nfs/dbraw/zinc/83/44/26/974834426.db2.gz KUIKTBSYJQZUKR-UHFFFAOYSA-N -1 0 384.335 3.385 20 30 GGEDRM N#Cc1ccc(Oc2ccc(NS(=O)(=O)c3ccc(C(=O)[O-])cc3)cn2)cc1 ZINC000603986151 975014401 /nfs/dbraw/zinc/01/44/01/975014401.db2.gz ATGDWWUHPWDLPA-UHFFFAOYSA-N -1 0 395.396 3.245 20 30 GGEDRM O=C([O-])[C@@H](C[C@H]1CCCOC1)NC(=O)c1ccc(C#Cc2ccccc2)cc1 ZINC000630269591 975212992 /nfs/dbraw/zinc/21/29/92/975212992.db2.gz CLASGXPLPOFMDI-TZIWHRDSSA-N -1 0 377.440 3.086 20 30 GGEDRM C=C(C)C[C@@H](NC(=O)c1nn(-c2cccc(Cl)c2F)c2c1CCC2)C(=O)[O-] ZINC000630319600 975250868 /nfs/dbraw/zinc/25/08/68/975250868.db2.gz DBMXCHREARZAPZ-CYBMUJFWSA-N -1 0 391.830 3.303 20 30 GGEDRM C=C(C)C[C@@H](NC(=O)c1cc(C)n(-c2cccc(C(F)(F)F)c2)n1)C(=O)[O-] ZINC000630321421 975251340 /nfs/dbraw/zinc/25/13/40/975251340.db2.gz ITPFOYXULJYGIE-OAHLLOKOSA-N -1 0 381.354 3.349 20 30 GGEDRM C=C(C)C[C@H](NC(=O)c1cnn(-c2ccc(C(F)(F)F)cc2)c1C)C(=O)[O-] ZINC000630321046 975251396 /nfs/dbraw/zinc/25/13/96/975251396.db2.gz DWKYEPCXZOBECP-HNNXBMFYSA-N -1 0 381.354 3.349 20 30 GGEDRM C=C(C)C[C@H](NC(=O)c1cc(C)n(-c2cccc(C(F)(F)F)c2)n1)C(=O)[O-] ZINC000630321419 975251446 /nfs/dbraw/zinc/25/14/46/975251446.db2.gz ITPFOYXULJYGIE-HNNXBMFYSA-N -1 0 381.354 3.349 20 30 GGEDRM C=C(C)C[C@H](NC(=O)c1sc(-c2ccc(OC)c(OC)c2)nc1C)C(=O)[O-] ZINC000630327083 975254362 /nfs/dbraw/zinc/25/43/62/975254362.db2.gz WFIRYSHGCCAMEI-ZDUSSCGKSA-N -1 0 390.461 3.285 20 30 GGEDRM C=CCc1ccc(OCC(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@@H]32)c(OC)c1 ZINC000659189050 975785620 /nfs/dbraw/zinc/78/56/20/975785620.db2.gz LDLNPAXXEKVAMP-BZSNNMDCSA-N -1 0 387.476 3.294 20 30 GGEDRM CC(C)Oc1ccc(NC(=O)N[C@](C)(CC(=O)[O-])c2cccnc2)cc1C#N ZINC001591786685 975959001 /nfs/dbraw/zinc/95/90/01/975959001.db2.gz MWOKVALPDDUCQE-HXUWFJFHSA-N -1 0 382.420 3.252 20 30 GGEDRM CC(C)c1ccc([C@]2(C)NC(=O)N(Cc3cccc(C(=O)[O-])c3C#N)C2=O)cc1 ZINC001591948381 976499093 /nfs/dbraw/zinc/49/90/93/976499093.db2.gz GJWUKAZQJKHELA-QFIPXVFZSA-N -1 0 391.427 3.347 20 30 GGEDRM CC(C)c1cccc(C(C)C)c1NC(=O)C(=O)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001591988148 976615402 /nfs/dbraw/zinc/61/54/02/976615402.db2.gz XHBKZNYHPBDQHX-UHFFFAOYSA-N -1 0 385.464 3.089 20 30 GGEDRM CC(C)n1ncc2cc(/C=C3\CCn4nc(C(=O)[O-])cc4C3=O)c(Cl)nc21 ZINC001592163701 977057955 /nfs/dbraw/zinc/05/79/55/977057955.db2.gz SZOFDEDIWCWNLT-BJMVGYQFSA-N -1 0 385.811 3.230 20 30 GGEDRM C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCSC[C@@H](C(=O)[O-])C1 ZINC001592225591 977410518 /nfs/dbraw/zinc/41/05/18/977410518.db2.gz CMNZCTDFEUQFNV-STQMWFEESA-N -1 0 379.507 3.362 20 30 GGEDRM C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001592225719 977412966 /nfs/dbraw/zinc/41/29/66/977412966.db2.gz LKWWQRYWMXCJIA-SOUVJXGZSA-N -1 0 375.494 3.062 20 30 GGEDRM C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)[O-] ZINC001592225943 977413902 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C[C@@H](CN(Cc1ccccc1)S(=O)(=O)CC1(C#N)CCCCC1)C(=O)[O-] ZINC001592604683 978545911 /nfs/dbraw/zinc/54/59/11/978545911.db2.gz LULMRPDWQFBZCV-INIZCTEOSA-N -1 0 378.494 3.013 20 30 GGEDRM C[C@H](CN(Cc1ccccc1)S(=O)(=O)c1ccc(C#N)cc1Cl)C(=O)[O-] ZINC001592609534 978554882 /nfs/dbraw/zinc/55/48/82/978554882.db2.gz BSUHWBSRLMMPTM-CYBMUJFWSA-N -1 0 392.864 3.123 20 30 GGEDRM N#CCOc1ccccc1C(=O)Nc1cc(C(=O)[O-])c(F)cc1Br ZINC000739090999 978616882 /nfs/dbraw/zinc/61/68/82/978616882.db2.gz DDPDCSYVOZLHCU-UHFFFAOYSA-N -1 0 393.168 3.441 20 30 GGEDRM N#Cc1ccc([C@H](Nc2ccc(OCC(F)(F)C(F)F)nc2)C(=O)[O-])cc1 ZINC000739111991 978618357 /nfs/dbraw/zinc/61/83/57/978618357.db2.gz XEMWQCLEJLRYPM-AWEZNQCLSA-N -1 0 383.301 3.470 20 30 GGEDRM N#Cc1ccccc1N1CCN(C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)CC1 ZINC000739147011 978619236 /nfs/dbraw/zinc/61/92/36/978619236.db2.gz OMUNJWRPBCREKS-UHFFFAOYSA-N -1 0 384.823 3.264 20 30 GGEDRM Cc1cccc(N(CCC#N)S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2F)c1 ZINC000749142515 978688426 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CC[C@@](CNC(=O)NCc1ccc(C#N)c(Cl)c1)(C(=O)[O-])c1ccccc1 ZINC001595149809 979636687 /nfs/dbraw/zinc/63/66/87/979636687.db2.gz KAXHIEXUCBJGHM-FQEVSTJZSA-N -1 0 385.851 3.443 20 30 GGEDRM CC[C@@](CNC(=O)c1c(C)oc(-n2cccc2)c1C#N)(C(=O)[O-])c1ccccc1 ZINC001595159710 979677230 /nfs/dbraw/zinc/67/72/30/979677230.db2.gz HOBPOXXLYYPBIN-QFIPXVFZSA-N -1 0 391.427 3.413 20 30 GGEDRM C[C@H](Cc1ccc(NC(=O)N2CCN(c3ccccc3C#N)CC2)cc1)C(=O)[O-] ZINC001592860230 979688251 /nfs/dbraw/zinc/68/82/51/979688251.db2.gz GMWKVOVRROTOQR-MRXNPFEDSA-N -1 0 392.459 3.176 20 30 GGEDRM CCO[C@H](C(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1)[C@H]1CCOC1 ZINC000864121064 979717018 /nfs/dbraw/zinc/71/70/18/979717018.db2.gz GWSDBGDRKHBUJR-FPOVZHCZSA-N -1 0 393.439 3.165 20 30 GGEDRM C[C@H](NC(=O)C(C)(C)c1cc(F)cc(C#N)c1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001592989362 980173245 /nfs/dbraw/zinc/17/32/45/980173245.db2.gz FQYGRZAMPRKDGI-LIRRHRJNSA-N -1 0 382.435 3.423 20 30 GGEDRM 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C#CC[C@@H]1CCCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2C(=O)[O-])C1 ZINC001588434794 983472500 /nfs/dbraw/zinc/47/25/00/983472500.db2.gz SZPKSMRWYGARTC-SNVBAGLBSA-N -1 0 376.261 3.116 20 30 GGEDRM C#CCCOc1ccc(C(=O)N2C[C@@H](c3ccc(F)cc3F)[C@H](C(=O)[O-])C2)cc1 ZINC001588455541 983480160 /nfs/dbraw/zinc/48/01/60/983480160.db2.gz PGCFJUKZNPYYGC-RBUKOAKNSA-N -1 0 399.393 3.307 20 30 GGEDRM C#CCN(C(=O)C(=C)CCC(=O)[O-])[C@@H]1CCOc2ccc(Br)cc21 ZINC001588457925 983482926 /nfs/dbraw/zinc/48/29/26/983482926.db2.gz JTZHHGYRAWVXEW-OAHLLOKOSA-N -1 0 392.249 3.156 20 30 GGEDRM C#CCN(C(=O)NCc1cc(C(=O)[O-])c(C)n1C)[C@@H]1CCCc2ccccc21 ZINC001588459615 983484992 /nfs/dbraw/zinc/48/49/92/983484992.db2.gz DQXAXPGLXNXFPW-HXUWFJFHSA-N -1 0 379.460 3.254 20 30 GGEDRM C#CCN(C(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1)C1CSC1 ZINC001588459631 983485293 /nfs/dbraw/zinc/48/52/93/983485293.db2.gz FNUOLMKUBDRUBQ-UHFFFAOYSA-N -1 0 390.464 3.367 20 30 GGEDRM C#CCN(C(=O)NCCOc1ccc(C(=O)[O-])cc1)[C@H]1CCCc2ccccc21 ZINC001588459677 983485511 /nfs/dbraw/zinc/48/55/11/983485511.db2.gz HKGQMZSLVBDRJR-NRFANRHFSA-N -1 0 392.455 3.486 20 30 GGEDRM C#CCN([C@H]1CCCc2ccccc21)S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC001588463627 983491872 /nfs/dbraw/zinc/49/18/72/983491872.db2.gz GBKCXCWNWMHDSF-SFHVURJKSA-N -1 0 387.432 3.225 20 30 GGEDRM C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1ccc(C(=O)[O-])c2ccccc12 ZINC001588465875 983497119 /nfs/dbraw/zinc/49/71/19/983497119.db2.gz LIBLXKBOFQRGOB-UHFFFAOYSA-N -1 0 382.416 3.347 20 30 GGEDRM C#CCN1C(=O)c2ccccc2N[C@@H]1c1ccc(C(=O)[O-])cc1Br ZINC001588471454 983506101 /nfs/dbraw/zinc/50/61/01/983506101.db2.gz OVQTXQUBOQMRNG-INIZCTEOSA-N -1 0 385.217 3.347 20 30 GGEDRM C#CCOc1ccc(CNC(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])cc1 ZINC001588497369 983538482 /nfs/dbraw/zinc/53/84/82/983538482.db2.gz ARKJEHFBCMRKLL-IBGZPJMESA-N -1 0 380.444 3.350 20 30 GGEDRM C#CCOc1ccc(CNC(=O)NC[C@@H]2CCCc3ccc(C(=O)[O-])cc32)cc1 ZINC001588497488 983538942 /nfs/dbraw/zinc/53/89/42/983538942.db2.gz JSIGKGJDYULPTB-IBGZPJMESA-N -1 0 392.455 3.316 20 30 GGEDRM C#CCOc1ccc([C@@H]2NC(=O)N(Cc3cccs3)C(C)=C2C(=O)[O-])cc1 ZINC001588497726 983541088 /nfs/dbraw/zinc/54/10/88/983541088.db2.gz XLTGFIDGYZGSFF-SFHVURJKSA-N -1 0 382.441 3.385 20 30 GGEDRM C#CCOc1ccc(F)cc1NC(=O)N[C@@H](CCC(=O)[O-])Cc1ccccc1 ZINC001588497785 983541194 /nfs/dbraw/zinc/54/11/94/983541194.db2.gz BVDWPIVLQXQOBX-KRWDZBQOSA-N -1 0 384.407 3.435 20 30 GGEDRM C#CCOc1ccc(F)cc1NC(=O)N[C@H](C)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001588497842 983541477 /nfs/dbraw/zinc/54/14/77/983541477.db2.gz FTDVNUXIYYHJGR-PBHICJAKSA-N -1 0 384.407 3.291 20 30 GGEDRM C#CCOc1ccc(F)cc1NC(=O)N1CC[C@@](C(=O)[O-])(c2ccccc2)C1 ZINC001588497819 983541594 /nfs/dbraw/zinc/54/15/94/983541594.db2.gz DRZWBSUJKZPJLG-NRFANRHFSA-N -1 0 382.391 3.098 20 30 GGEDRM C#CCOc1ccc(F)cc1NC(=O)N1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC001588497820 983541682 /nfs/dbraw/zinc/54/16/82/983541682.db2.gz DRZWBSUJKZPJLG-OAQYLSRUSA-N -1 0 382.391 3.098 20 30 GGEDRM C#CCOc1cccc(-c2noc(-c3ccc(OCC(=O)[O-])c(OCC)c3)n2)c1 ZINC001588497860 983542210 /nfs/dbraw/zinc/54/22/10/983542210.db2.gz HHXGSHBLCPIBHT-UHFFFAOYSA-N -1 0 394.383 3.278 20 30 GGEDRM CCN([C@@H](C)c1ccc(C#N)cc1)S(=O)(=O)c1cc(C(=O)[O-])c(Cl)o1 ZINC001596177648 983546257 /nfs/dbraw/zinc/54/62/57/983546257.db2.gz CZYHSRLAAAXKEF-JTQLQIEISA-N -1 0 382.825 3.275 20 30 GGEDRM CCN([C@@H](C)c1ccc(C#N)cc1)S(=O)(=O)CC1(C(=O)[O-])CCCCC1 ZINC001596178852 983548644 /nfs/dbraw/zinc/54/86/44/983548644.db2.gz VSTZFIHVOBZKQO-HNNXBMFYSA-N -1 0 378.494 3.306 20 30 GGEDRM C#CCn1ccc(CN(CC)C(=O)Nc2cc(F)c(Cl)c(C(=O)[O-])c2)n1 ZINC001588510044 983554435 /nfs/dbraw/zinc/55/44/35/983554435.db2.gz XIGYKHSDVKGORX-UHFFFAOYSA-N -1 0 378.791 3.061 20 30 GGEDRM C#Cc1ccc([C@H](OC(=O)CCCn2ccc(C(=O)[O-])n2)C(F)(F)F)cc1 ZINC001588516573 983561122 /nfs/dbraw/zinc/56/11/22/983561122.db2.gz PXZTYRVAURNMBI-INIZCTEOSA-N -1 0 380.322 3.190 20 30 GGEDRM C#Cc1ccc([C@@H](OC(=O)CCCn2ccc(C(=O)[O-])n2)C(F)(F)F)cc1 ZINC001588516574 983561231 /nfs/dbraw/zinc/56/12/31/983561231.db2.gz PXZTYRVAURNMBI-MRXNPFEDSA-N -1 0 380.322 3.190 20 30 GGEDRM C#Cc1ccc(CNC(=O)NCc2ccc(C(=O)[O-])cc2Br)cc1 ZINC001588516876 983562812 /nfs/dbraw/zinc/56/28/12/983562812.db2.gz FZSSFZFEPINEBH-UHFFFAOYSA-N -1 0 387.233 3.128 20 30 GGEDRM C#Cc1ccc(CNC(=O)Nc2cc(C(=O)[O-])c(NC(C)=O)cc2Cl)cc1 ZINC001588516903 983563186 /nfs/dbraw/zinc/56/31/86/983563186.db2.gz HLMAGSQJIOKREE-UHFFFAOYSA-N -1 0 385.807 3.300 20 30 GGEDRM C#Cc1cccc(CNS(=O)(=O)c2c(Cl)cc(Cl)cc2C(=O)[O-])c1 ZINC001588522275 983570339 /nfs/dbraw/zinc/57/03/39/983570339.db2.gz MTWZHNWNKBRTQP-UHFFFAOYSA-N -1 0 384.240 3.151 20 30 GGEDRM C#Cc1cccc(N(Cc2ccco2)C(=O)CCCn2ccc(C(=O)[O-])n2)c1 ZINC001588523379 983572291 /nfs/dbraw/zinc/57/22/91/983572291.db2.gz HUDXQQKCFXNRHA-UHFFFAOYSA-N -1 0 377.400 3.169 20 30 GGEDRM C#Cc1cccc(NC(=O)CN(C)[C@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)c1 ZINC001588523431 983572296 /nfs/dbraw/zinc/57/22/96/983572296.db2.gz KFSWLZGMRYQSMA-SFHVURJKSA-N -1 0 390.361 3.383 20 30 GGEDRM C#Cc1cccc(N(Cc2ccccc2)S(=O)(=O)CC2(CC(=O)[O-])CC2)c1 ZINC001588523384 983572335 /nfs/dbraw/zinc/57/23/35/983572335.db2.gz HZKNBNYYLCSDSN-UHFFFAOYSA-N -1 0 383.469 3.259 20 30 GGEDRM C#Cc1cccc(NC(=O)NC(=O)CS[C@@H](Cc2ccc(C)cc2)C(=O)[O-])c1 ZINC001588524697 983575783 /nfs/dbraw/zinc/57/57/83/983575783.db2.gz ROOOAPFXCAJKPO-SFHVURJKSA-N -1 0 396.468 3.054 20 30 GGEDRM C=C(C)[C@H](NS(=O)(=O)c1cccc(CC(=O)[O-])c1)c1ccc(F)c(F)c1 ZINC001588533856 983584736 /nfs/dbraw/zinc/58/47/36/983584736.db2.gz AWFMNSXYSDFCDU-SFHVURJKSA-N -1 0 381.400 3.188 20 30 GGEDRM C=C(C)[C@H](NC(=O)C(=O)Nc1sccc1C(=O)[O-])c1ccc(F)c(F)c1 ZINC001588533962 983584814 /nfs/dbraw/zinc/58/48/14/983584814.db2.gz CJGYZCLRWSOJTI-ZDUSSCGKSA-N -1 0 380.372 3.097 20 30 GGEDRM C=C(C)[C@@H](NS(=O)(=O)c1ccc(C(=O)[O-])cc1OC)c1ccc(F)c(F)c1 ZINC001588534052 983584968 /nfs/dbraw/zinc/58/49/68/983584968.db2.gz DSRNRODRUBRSAL-QGZVFWFLSA-N -1 0 397.399 3.267 20 30 GGEDRM C=C(C)[C@H](NS(=O)(=O)c1ccc(CC(=O)[O-])c(F)c1)c1ccc(F)c(F)c1 ZINC001588535128 983587830 /nfs/dbraw/zinc/58/78/30/983587830.db2.gz LSQXAUBHPNCOLY-SFHVURJKSA-N -1 0 399.390 3.327 20 30 GGEDRM C=C(C)[C@@H](NC(=O)Cc1[nH]c(C(C)=O)c(C)c1C(=O)[O-])c1ccc(F)c(F)c1 ZINC001588535118 983587969 /nfs/dbraw/zinc/58/79/69/983587969.db2.gz LCWNTQNKULDQSV-GOSISDBHSA-N -1 0 390.386 3.478 20 30 GGEDRM C=C(C)[C@@H](NS(=O)(=O)c1cccc(F)c1C(=O)[O-])c1ccc(F)c(F)c1 ZINC001588535419 983589030 /nfs/dbraw/zinc/58/90/30/983589030.db2.gz OHXUZHRHLJNBDU-MRXNPFEDSA-N -1 0 385.363 3.398 20 30 GGEDRM C=C(C)[C@@H](NS(=O)(=O)Cc1ccccc1C(=O)[O-])c1ccc(F)c(F)c1 ZINC001588536499 983594477 /nfs/dbraw/zinc/59/44/77/983594477.db2.gz XVPGBHNVVMTDLQ-QGZVFWFLSA-N -1 0 381.400 3.400 20 30 GGEDRM C=C(C)C[C@H](NC(=O)[C@H](C)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1)C(=O)[O-] ZINC001588537202 983598360 /nfs/dbraw/zinc/59/83/60/983598360.db2.gz JYCJVVOLEOEEHS-HYVNUMGLSA-N -1 0 390.480 3.424 20 30 GGEDRM C=C(C)C[C@H](NC(=O)[C@H](C)[C@H](NC(=O)OC(C)(C)C)c1ccccc1)C(=O)[O-] ZINC001588537205 983598459 /nfs/dbraw/zinc/59/84/59/983598459.db2.gz JYCJVVOLEOEEHS-PVAVHDDUSA-N -1 0 390.480 3.424 20 30 GGEDRM C=C(C)C[C@H](NC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1)C(=O)[O-] ZINC001588540486 983604065 /nfs/dbraw/zinc/60/40/65/983604065.db2.gz HOESRYNUFDANFW-MOPGFXCFSA-N -1 0 380.444 3.083 20 30 GGEDRM C=C(C)C[C@H](NC(=O)CCSc1ncnc2sc(C)c(C)c21)C(=O)[O-] ZINC001588540540 983604403 /nfs/dbraw/zinc/60/44/03/983604403.db2.gz ISGGJRDKHQKNIL-LBPRGKRZSA-N -1 0 379.507 3.326 20 30 GGEDRM C=C(C)C[C@H](NC(=O)C[C@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C(=O)[O-] ZINC001588541363 983607128 /nfs/dbraw/zinc/60/71/28/983607128.db2.gz XRXUPELNDXBPDP-JYJNAYRXSA-N -1 0 382.501 3.195 20 30 GGEDRM C=C(C)C[C@@H](NC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1)C(=O)[O-] ZINC001588542508 983608889 /nfs/dbraw/zinc/60/88/89/983608889.db2.gz JIUSUKPGGKKSQX-GFCCVEGCSA-N -1 0 381.841 3.018 20 30 GGEDRM C=C(C)C[C@@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl)C(=O)[O-] ZINC001588543601 983612022 /nfs/dbraw/zinc/61/20/22/983612022.db2.gz LESODGWEKDCPDO-SECBINFHSA-N -1 0 391.605 3.160 20 30 GGEDRM C=C(C)C[C@@H](NC(=O)c1c(C)nn(Cc2ccc(C)cc2)c1Cl)C(=O)[O-] ZINC001588543995 983613083 /nfs/dbraw/zinc/61/30/83/983613083.db2.gz ROGSXMFZRVKDQQ-OAHLLOKOSA-N -1 0 375.856 3.351 20 30 GGEDRM C=C(C)C[C@@H](NC(=O)c1cc(-c2ccco2)nc2c1cnn2C(C)C)C(=O)[O-] ZINC001588544204 983613526 /nfs/dbraw/zinc/61/35/26/983613526.db2.gz XEUXGDFRDZXOKP-MRXNPFEDSA-N -1 0 382.420 3.421 20 30 GGEDRM C=C(C)C[C@H](NC(=O)c1cc(I)c(C)cc1C)C(=O)[O-] ZINC001588546216 983614326 /nfs/dbraw/zinc/61/43/26/983614326.db2.gz ASZHFZUOYZMTSD-ZDUSSCGKSA-N -1 0 387.217 3.057 20 30 GGEDRM C=C(C)C[C@@H](NC(=O)c1ccc(Br)cc1Br)C(=O)[O-] ZINC001588546439 983615525 /nfs/dbraw/zinc/61/55/25/983615525.db2.gz LCODFZSGDUTODO-LLVKDONJSA-N -1 0 391.059 3.361 20 30 GGEDRM CCN(C[C@@H](C)C#N)C(=O)COC(=O)c1ccccc1-c1ccccc1C(=O)[O-] ZINC001596231715 983627157 /nfs/dbraw/zinc/62/71/57/983627157.db2.gz SDEYMUYHFDZOQG-HNNXBMFYSA-N -1 0 394.427 3.217 20 30 GGEDRM C=C(C)C[C@H](Nc1ncnc2ccc(I)cc21)C(=O)[O-] ZINC001588554314 983630117 /nfs/dbraw/zinc/63/01/17/983630117.db2.gz DBTDYABGCOPBKY-LBPRGKRZSA-N -1 0 383.189 3.066 20 30 GGEDRM C=C(C)C[C@@H](NS(=O)(=O)c1ccc(OC(C)C)c2ccccc21)C(=O)[O-] ZINC001588555635 983636110 /nfs/dbraw/zinc/63/61/10/983636110.db2.gz NUXRUCNDPRYLAP-MRXNPFEDSA-N -1 0 377.462 3.325 20 30 GGEDRM C=C(C)C[C@H](NS(=O)(=O)c1ccc2cc(Br)ccc2c1)C(=O)[O-] ZINC001588555646 983636601 /nfs/dbraw/zinc/63/66/01/983636601.db2.gz ODGPRABXMBQVAI-HNNXBMFYSA-N -1 0 398.278 3.300 20 30 GGEDRM C=C(C)CN(CC)C(=O)[C@@H](C)OC(=O)c1cc(Br)cc(C(=O)[O-])c1 ZINC001588563453 983645193 /nfs/dbraw/zinc/64/51/93/983645193.db2.gz VJGWRDJQIGMVJD-LLVKDONJSA-N -1 0 398.253 3.117 20 30 GGEDRM C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC001588567072 983646111 /nfs/dbraw/zinc/64/61/11/983646111.db2.gz BFALXKGGVWJRSZ-UHFFFAOYSA-N -1 0 384.480 3.493 20 30 GGEDRM C=C(C)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)nc1C(=O)[O-] ZINC001588567141 983646417 /nfs/dbraw/zinc/64/64/17/983646417.db2.gz DXJZHQQVNVABKE-UHFFFAOYSA-N -1 0 380.853 3.200 20 30 GGEDRM C=C(C)CN(Cc1ccccc1)S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC001588567543 983646860 /nfs/dbraw/zinc/64/68/60/983646860.db2.gz MJOKBPAEQWBLRU-UHFFFAOYSA-N -1 0 381.400 3.430 20 30 GGEDRM C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1nc(CC(=O)[O-])cs1 ZINC001588567706 983647388 /nfs/dbraw/zinc/64/73/88/983647388.db2.gz QRFBLLJYJQBFLU-UHFFFAOYSA-N -1 0 377.470 3.158 20 30 GGEDRM C=C(C)CN(Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC001588567575 983647402 /nfs/dbraw/zinc/64/74/02/983647402.db2.gz NRBQWHRRYKTNFO-KRWDZBQOSA-N -1 0 398.507 3.245 20 30 GGEDRM C=C(C)COCCn1c(-c2ccccc2C)nnc1N1CCC(C(=O)[O-])CC1 ZINC001588573514 983653027 /nfs/dbraw/zinc/65/30/27/983653027.db2.gz OGQHJYYIRJFYTC-UHFFFAOYSA-N -1 0 384.480 3.147 20 30 GGEDRM C=C(C)COc1cccc(NC(=O)N2CCC[C@](O)(C3(C(=O)[O-])CCC3)C2)c1 ZINC001588573841 983654112 /nfs/dbraw/zinc/65/41/12/983654112.db2.gz YSZYNGSVJJQPNQ-OAQYLSRUSA-N -1 0 388.464 3.255 20 30 GGEDRM C=C(C)Cn1c(-c2ccoc2)nnc1N1CCC(c2cc(C(=O)[O-])on2)CC1 ZINC001588578305 983657711 /nfs/dbraw/zinc/65/77/11/983657711.db2.gz BYQNYEPVJTWMTF-UHFFFAOYSA-N -1 0 383.408 3.184 20 30 GGEDRM C=C(C)Cn1c(-c2ccnc3ccccc32)nnc1N1CCC(C(=O)[O-])CC1 ZINC001588578657 983659047 /nfs/dbraw/zinc/65/90/47/983659047.db2.gz MBGKUKSYUQJBRW-UHFFFAOYSA-N -1 0 377.448 3.370 20 30 GGEDRM C=C(C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@](C)(C(=O)[O-])C1 ZINC001588578901 983659893 /nfs/dbraw/zinc/65/98/93/983659893.db2.gz QQHLSYFOTYFYHA-IBGZPJMESA-N -1 0 392.406 3.424 20 30 GGEDRM C=C(C)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(CCC(=O)[O-])CC1 ZINC001588578748 983659908 /nfs/dbraw/zinc/65/99/08/983659908.db2.gz PHYPOCURBFLKMT-UHFFFAOYSA-N -1 0 398.463 3.331 20 30 GGEDRM C=C(C)Cn1c(-c2ccc([C@H](C)O)cc2)nnc1N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001588579078 983660359 /nfs/dbraw/zinc/66/03/59/983660359.db2.gz TVZMYARPXNIJMA-RLFYNMQTSA-N -1 0 384.480 3.122 20 30 GGEDRM C=C(C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@](C)(C(=O)[O-])C1 ZINC001588579058 983660393 /nfs/dbraw/zinc/66/03/93/983660393.db2.gz SJLWGUDYIHEGDQ-NRFANRHFSA-N -1 0 392.463 3.008 20 30 GGEDRM C=C(C)Cn1c(-c2ccoc2)nnc1N(C)Cc1ccc(OCC(=O)[O-])cc1 ZINC001588579105 983660799 /nfs/dbraw/zinc/66/07/99/983660799.db2.gz UXKKXRSRJHJPJM-UHFFFAOYSA-N -1 0 382.420 3.214 20 30 GGEDRM C=C(C)Cn1c(-c2ncccc2C)nnc1N1CCc2ccc(C(=O)[O-])cc2C1 ZINC001588588848 983664824 /nfs/dbraw/zinc/66/48/24/983664824.db2.gz BEPWYJJMSVPWFI-UHFFFAOYSA-N -1 0 389.459 3.486 20 30 GGEDRM C=C(C)Cn1c(-c2cscn2)nnc1N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC001588589499 983667226 /nfs/dbraw/zinc/66/72/26/983667226.db2.gz PGZILJFSUVQIOL-ZDUSSCGKSA-N -1 0 375.498 3.305 20 30 GGEDRM C=C(C)Cn1c(-c2cscn2)nnc1N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC001588589498 983667347 /nfs/dbraw/zinc/66/73/47/983667347.db2.gz PGZILJFSUVQIOL-CYBMUJFWSA-N -1 0 375.498 3.305 20 30 GGEDRM C=C(C)Cn1c([C@@H](C)c2ccccn2)nnc1N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC001588589455 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ZINC001588673479 983831029 /nfs/dbraw/zinc/83/10/29/983831029.db2.gz ZNCYAIXXFKOPNC-SFHVURJKSA-N -1 0 380.282 3.480 20 30 GGEDRM C=CC(C)(C)CNC(=O)N1CCN([C@H](C(=O)[O-])c2ccc(Cl)cc2)CC1 ZINC001588676863 983832082 /nfs/dbraw/zinc/83/20/82/983832082.db2.gz GUAQFVKEMSSJNO-INIZCTEOSA-N -1 0 379.888 3.005 20 30 GGEDRM C=CC(C)(C)CNC(=O)N1CCN([C@@H](C(=O)[O-])c2ccc(Cl)cc2)CC1 ZINC001588676864 983832189 /nfs/dbraw/zinc/83/21/89/983832189.db2.gz GUAQFVKEMSSJNO-MRXNPFEDSA-N -1 0 379.888 3.005 20 30 GGEDRM C=C[C@@H](CC(=O)N[C@H]1CCc2cc(C(=O)[O-])ccc2NC1=O)c1ccccc1 ZINC001588690724 983876224 /nfs/dbraw/zinc/87/62/24/983876224.db2.gz JULXUZGJSFTSOC-LIRRHRJNSA-N -1 0 378.428 3.114 20 30 GGEDRM C=C[C@@H](CC(=O)N[C@](C)(Cn1cnc2ccccc21)C(=O)[O-])c1ccccc1 ZINC001588690877 983877742 /nfs/dbraw/zinc/87/77/42/983877742.db2.gz NIRKPJUWRIFIGH-KSFYIVLOSA-N -1 0 377.444 3.356 20 30 GGEDRM CCN(c1ccc(C#N)c(Cl)c1)S(=O)(=O)c1c(C)csc1C(=O)[O-] ZINC001596383766 983908703 /nfs/dbraw/zinc/90/87/03/983908703.db2.gz GURQHGRDSNJPKD-UHFFFAOYSA-N -1 0 384.866 3.495 20 30 GGEDRM CCN(c1ccc(C#N)c(Cl)c1)S(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC001596383949 983909285 /nfs/dbraw/zinc/90/92/85/983909285.db2.gz JWJLUNHPWADDSF-UHFFFAOYSA-N -1 0 382.800 3.264 20 30 GGEDRM C=CC1(CC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)CN(C(=O)OC(C)(C)C)C1 ZINC001588714222 983950670 /nfs/dbraw/zinc/95/06/70/983950670.db2.gz CIUJYFBIVIBFSZ-JYJNAYRXSA-N -1 0 392.496 3.044 20 30 GGEDRM C=CC1(CC(=O)N2CCC[C@H](C(C)(C)C(=O)[O-])C2)CN(C(=O)OC(C)(C)C)C1 ZINC001588714358 983951276 /nfs/dbraw/zinc/95/12/76/983951276.db2.gz GADXFCHLXBVFGV-HNNXBMFYSA-N -1 0 394.512 3.149 20 30 GGEDRM C=C[C@H](Sc1nc2cc(Cl)ccc2c(=O)n1CCCOCC)C(=O)[O-] ZINC001588714838 983953515 /nfs/dbraw/zinc/95/35/15/983953515.db2.gz OZINTOBYZVSRRI-AWEZNQCLSA-N -1 0 382.869 3.208 20 30 GGEDRM C=C[C@H](Sc1nnc2n1c1ccccc1c(=O)n2-c1ccccc1C)C(=O)[O-] ZINC001588715051 983954410 /nfs/dbraw/zinc/95/44/10/983954410.db2.gz SUOKOHYPVCNMOZ-INIZCTEOSA-N -1 0 392.440 3.073 20 30 GGEDRM C=CC1(CC(=O)N[C@@H]2CCN(c3sccc3C(=O)[O-])C2=O)CCCCC1 ZINC001588719483 983961087 /nfs/dbraw/zinc/96/10/87/983961087.db2.gz UTECKMCOWMRHDN-CQSZACIVSA-N -1 0 376.478 3.194 20 30 GGEDRM C=CC1(CC(=O)N[C@H]2CCN(c3sccc3C(=O)[O-])C2=O)CCCCC1 ZINC001588719482 983961133 /nfs/dbraw/zinc/96/11/33/983961133.db2.gz UTECKMCOWMRHDN-AWEZNQCLSA-N -1 0 376.478 3.194 20 30 GGEDRM C=CC1(CC(=O)Nc2ccc(C(=O)[O-])c(OC)c2)CN(C(=O)OC(C)(C)C)C1 ZINC001588719565 983961653 /nfs/dbraw/zinc/96/16/53/983961653.db2.gz VQDBJEOQYDRJMN-UHFFFAOYSA-N -1 0 390.436 3.145 20 30 GGEDRM C=CC[C@H](C(=O)N[C@H]1CCN(c2sccc2C(=O)[O-])C1=O)c1ccccc1 ZINC001588721617 983972671 /nfs/dbraw/zinc/97/26/71/983972671.db2.gz QKUXAISNRWZABN-HOCLYGCPSA-N -1 0 384.457 3.028 20 30 GGEDRM C=CC[C@@H](C(=O)O[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1)c1ccccc1 ZINC001588731501 984008618 /nfs/dbraw/zinc/00/86/18/984008618.db2.gz JDMNBVASHDILLD-ZACQAIPSSA-N -1 0 389.448 3.352 20 30 GGEDRM C=CC[C@@H](CC)NC(=O)N1CCOc2c(Br)cc(C(=O)[O-])cc2C1 ZINC001588735781 984021116 /nfs/dbraw/zinc/02/11/16/984021116.db2.gz LLJFRXUZIQKZAT-CYBMUJFWSA-N -1 0 397.269 3.406 20 30 GGEDRM C=CC[C@@H](C)NC(=O)N1C[C@@H](c2ccc(Br)cc2)[C@H](C(=O)[O-])C1 ZINC001588736872 984027182 /nfs/dbraw/zinc/02/71/82/984027182.db2.gz YCWGMIAAAOWZQM-BYCMXARLSA-N -1 0 381.270 3.223 20 30 GGEDRM C=CC[C@H](NC(=O)N[C@H]1CCSC2(CC(C(=O)[O-])C2)C1)c1ccncc1 ZINC001588742436 984032555 /nfs/dbraw/zinc/03/25/55/984032555.db2.gz CVVWDJJBUAKPAP-IOSXPMGOSA-N -1 0 375.494 3.127 20 30 GGEDRM C=CCC(F)(F)C(=O)N[C@](C)(CC(=O)[O-])c1ccc(Br)cc1 ZINC001588742721 984033855 /nfs/dbraw/zinc/03/38/55/984033855.db2.gz KAPAWQUCPWXXCF-CQSZACIVSA-N -1 0 376.197 3.467 20 30 GGEDRM C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCOc2cc(C(=O)[O-])ccc2C1 ZINC001588743731 984039572 /nfs/dbraw/zinc/03/95/72/984039572.db2.gz CHUDYRZUWITACD-IBGZPJMESA-N -1 0 380.444 3.476 20 30 GGEDRM C=CC[C@@H](NS(=O)(=O)c1sc(C(=O)[O-])c(Cl)c1C)c1ccncc1 ZINC001588749577 984066462 /nfs/dbraw/zinc/06/64/62/984066462.db2.gz MHEXIJUNNHVLCB-LLVKDONJSA-N -1 0 386.882 3.399 20 30 GGEDRM C=CC[C@H](NS(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1C)c1ccncc1 ZINC001588750705 984073379 /nfs/dbraw/zinc/07/33/79/984073379.db2.gz YPKOXSQAKYPPNC-HNNXBMFYSA-N -1 0 380.853 3.337 20 30 GGEDRM C=CC[C@@]1(C(=O)NC[C@@H](CC(C)C)C(=O)[O-])CCCN1C(=O)OC(C)(C)C ZINC001588761997 984114722 /nfs/dbraw/zinc/11/47/22/984114722.db2.gz DWQJCXZZOHJGQH-QRWLVFNGSA-N -1 0 382.501 3.195 20 30 GGEDRM C=CC[C@]1(C(=O)NCC2(C(=O)[O-])CCCC2)CCCN1C(=O)OC(C)(C)C ZINC001588762035 984114833 /nfs/dbraw/zinc/11/48/33/984114833.db2.gz FTMYGAKASQRWAS-HXUWFJFHSA-N -1 0 380.485 3.093 20 30 GGEDRM C=CC[C@]1(C(=O)N(C)c2ncc(C(=O)[O-])s2)CCCN1C(=O)OC(C)(C)C ZINC001588762999 984118053 /nfs/dbraw/zinc/11/80/53/984118053.db2.gz PNTKHDNWBGQVSN-GOSISDBHSA-N -1 0 395.481 3.150 20 30 GGEDRM C=CC[C@@H](Sc1nnc([C@@H](CC)N(C)C)n1-c1ccc(OC)cc1)C(=O)[O-] ZINC001588763595 984119436 /nfs/dbraw/zinc/11/94/36/984119436.db2.gz UNBOYNRNVNDTPF-HZPDHXFCSA-N -1 0 390.509 3.410 20 30 GGEDRM C=CC[C@H](Sc1nnc([C@@H](CC)N(C)C)n1-c1ccc(OC)cc1)C(=O)[O-] ZINC001588763589 984119447 /nfs/dbraw/zinc/11/94/47/984119447.db2.gz UNBOYNRNVNDTPF-CVEARBPZSA-N -1 0 390.509 3.410 20 30 GGEDRM C=CCC1(C(=O)N2C[C@@H](C(=O)OC(C)(C)C)C3(CC(C(=O)[O-])C3)C2)CCC1 ZINC001588763740 984120804 /nfs/dbraw/zinc/12/08/04/984120804.db2.gz XUZDBCFPFFSAMW-DBWCEAHUSA-N -1 0 377.481 3.014 20 30 GGEDRM C=CC[C@]1(C(=O)Nc2nc(C)c(C(=O)[O-])s2)CCCN1C(=O)OC(C)(C)C ZINC001588764654 984122765 /nfs/dbraw/zinc/12/27/65/984122765.db2.gz FSIIMWFQMAUSSF-GOSISDBHSA-N -1 0 395.481 3.434 20 30 GGEDRM C=CC[C@@]1(C(=O)Nc2ccc(C(=O)[O-])nc2)CCCN1C(=O)OC(C)(C)C ZINC001588764947 984124321 /nfs/dbraw/zinc/12/43/21/984124321.db2.gz MJZXEOMJUZWOCL-IBGZPJMESA-N -1 0 375.425 3.064 20 30 GGEDRM C=CC[C@@]1(C(=O)NCc2cc(C(=O)[O-])c(C)o2)CCCN1C(=O)OC(C)(C)C ZINC001588765056 984124711 /nfs/dbraw/zinc/12/47/11/984124711.db2.gz PIRTZXUAOAVOGU-FQEVSTJZSA-N -1 0 392.452 3.248 20 30 GGEDRM C=CC[C@]1(C(=O)Nc2ccc(C(=O)[O-])c(O)c2)CCCN1C(=O)OC(C)(C)C ZINC001588765263 984125593 /nfs/dbraw/zinc/12/55/93/984125593.db2.gz VFSDFRLMDAOLSL-HXUWFJFHSA-N -1 0 390.436 3.375 20 30 GGEDRM C=CC[C@@]1(C(=O)NCc2cc(C)c(C(=O)[O-])o2)CCCN1C(=O)OC(C)(C)C ZINC001588765349 984126789 /nfs/dbraw/zinc/12/67/89/984126789.db2.gz YHNDVTYUIZIVSM-FQEVSTJZSA-N -1 0 392.452 3.248 20 30 GGEDRM C=CC[C@]1(C(=O)OCc2ccc(C(=O)[O-])o2)CCCN1C(=O)OC(C)(C)C ZINC001588766951 984126805 /nfs/dbraw/zinc/12/68/05/984126805.db2.gz ADTQVYZARZHYKN-LJQANCHMSA-N -1 0 379.409 3.367 20 30 GGEDRM C=CC[C@]1(C(=O)OCc2cccc(C(=O)[O-])n2)CCCN1C(=O)OC(C)(C)C ZINC001588767055 984127636 /nfs/dbraw/zinc/12/76/36/984127636.db2.gz GPCQTSMXJBMNKA-HXUWFJFHSA-N -1 0 390.436 3.169 20 30 GGEDRM C=CC[C@H]1CCCN(C(=O)Nc2c(C(=O)[O-])cc(OC)c(OC)c2OC)C1 ZINC001588771046 984137315 /nfs/dbraw/zinc/13/73/15/984137315.db2.gz MTCZIKBADOFBCA-LBPRGKRZSA-N -1 0 378.425 3.231 20 30 GGEDRM C=CC[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)[O-])ccc2Br)C1 ZINC001588772596 984143676 /nfs/dbraw/zinc/14/36/76/984143676.db2.gz JIHPQMWDPWWBPX-NSHDSACASA-N -1 0 388.283 3.124 20 30 GGEDRM C=CC[C@H]1N(S(=O)(=O)c2ccc(OCCC(=O)[O-])cc2)CCCC1(C)C ZINC001588774055 984150958 /nfs/dbraw/zinc/15/09/58/984150958.db2.gz QYBXWUPSANOBNL-QGZVFWFLSA-N -1 0 381.494 3.296 20 30 GGEDRM C=CCC[C@@H](C(=O)Nc1ccc(C(=O)[O-])cc1S(C)(=O)=O)c1ccccc1 ZINC001588776811 984153606 /nfs/dbraw/zinc/15/36/06/984153606.db2.gz HOEBJVAQPDSEMM-MRXNPFEDSA-N -1 0 387.457 3.477 20 30 GGEDRM C=CCC[C@H](CO)NC(=O)c1ccccc1SCc1occc1C(=O)[O-] ZINC001588777511 984156334 /nfs/dbraw/zinc/15/63/34/984156334.db2.gz BUGFDTYLNCRTKB-CYBMUJFWSA-N -1 0 375.446 3.327 20 30 GGEDRM C=CCCC(C)(C)NS(=O)(=O)c1ccc(Br)c(C(=O)[O-])c1 ZINC001588777708 984157365 /nfs/dbraw/zinc/15/73/65/984157365.db2.gz GTRVIDMVDVBANP-UHFFFAOYSA-N -1 0 376.272 3.170 20 30 GGEDRM C=CCCC(C)(C)CNS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1OC ZINC001588778171 984159901 /nfs/dbraw/zinc/15/99/01/984159901.db2.gz WEQYLWQQLQLSFZ-UHFFFAOYSA-N -1 0 375.874 3.318 20 30 GGEDRM C=CCC[C@H](NS(=O)(=O)CCCC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001588778634 984161866 /nfs/dbraw/zinc/16/18/66/984161866.db2.gz HQDKZFDNXHNFKX-AWEZNQCLSA-N -1 0 379.400 3.497 20 30 GGEDRM C=CCC[C@@H](NS(=O)(=O)c1ccc(C(=O)[O-])c(OC)c1)c1ccccc1 ZINC001588778754 984162860 /nfs/dbraw/zinc/16/28/60/984162860.db2.gz LELHLNVDCZMZGQ-QGZVFWFLSA-N -1 0 375.446 3.379 20 30 GGEDRM C=CCCC1(CNS(=O)(=O)c2cc(C(=O)[O-])ccc2COC)CCCC1 ZINC001588781815 984168601 /nfs/dbraw/zinc/16/86/01/984168601.db2.gz ILBCFXDIGVMUOI-UHFFFAOYSA-N -1 0 381.494 3.336 20 30 GGEDRM C=CCC[C@@H]1CCCN1C(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)[O-] ZINC001588782585 984173452 /nfs/dbraw/zinc/17/34/52/984173452.db2.gz WOUPDUOAYXRQTQ-MSOLQXFVSA-N -1 0 388.464 3.103 20 30 GGEDRM C=CCCC[C@H](NC(=O)[C@H](C)Oc1ccc(F)cc1Br)C(=O)[O-] ZINC001588785031 984179077 /nfs/dbraw/zinc/17/90/77/984179077.db2.gz FFHWZGVKFUUHBB-GWCFXTLKSA-N -1 0 388.233 3.281 20 30 GGEDRM C=CCCC[C@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)c1ccccc1C)C(=O)[O-] ZINC001588785392 984180132 /nfs/dbraw/zinc/18/01/32/984180132.db2.gz GFOZRUAJWIPYAL-DLBZAZTESA-N -1 0 390.480 3.487 20 30 GGEDRM C=CCCC[C@@H](NC(=O)[C@@]1(C)CC(c2cccc(Cl)c2F)=NO1)C(=O)[O-] ZINC001588786255 984183622 /nfs/dbraw/zinc/18/36/22/984183622.db2.gz ORUYFRRISJRZBF-FZKQIMNGSA-N -1 0 382.819 3.288 20 30 GGEDRM C=CCCC[C@H](NC(=O)[C@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1)C(=O)[O-] ZINC001588787275 984186067 /nfs/dbraw/zinc/18/60/67/984186067.db2.gz UXKXTBVKRBLUAD-KKSFZXQISA-N -1 0 375.465 3.327 20 30 GGEDRM C=CCCC[C@@H](NC(=O)[C@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1)C(=O)[O-] ZINC001588787269 984186177 /nfs/dbraw/zinc/18/61/77/984186177.db2.gz UXKXTBVKRBLUAD-IERDGZPVSA-N -1 0 375.465 3.327 20 30 GGEDRM C=CCCC[C@H](NC(=O)[C@@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1)C(=O)[O-] ZINC001588787266 984186245 /nfs/dbraw/zinc/18/62/45/984186245.db2.gz UXKXTBVKRBLUAD-HRAATJIYSA-N -1 0 375.465 3.327 20 30 GGEDRM C=CCCC[C@@H](NC(=O)CCc1ccc(OC)cc1Br)C(=O)[O-] ZINC001588788568 984190925 /nfs/dbraw/zinc/19/09/25/984190925.db2.gz HFDSEDQJLRPDSR-OAHLLOKOSA-N -1 0 384.270 3.316 20 30 GGEDRM C=CCCC[C@@H](NC(=O)CCc1c(C)nc2c3ccccc3nn2c1C)C(=O)[O-] ZINC001588788856 984194023 /nfs/dbraw/zinc/19/40/23/984194023.db2.gz PVFBZPVWMMFDES-LJQANCHMSA-N -1 0 394.475 3.358 20 30 GGEDRM C=CCCC[C@H](NC(=O)CCc1nc(-c2ccc(F)c(C)c2)no1)C(=O)[O-] ZINC001588789019 984195351 /nfs/dbraw/zinc/19/53/51/984195351.db2.gz VDHMPWQOQMDPCZ-HNNXBMFYSA-N -1 0 375.400 3.042 20 30 GGEDRM C=CCCC[C@H](NC(=O)CSc1ncnc2sc(C)c(C)c21)C(=O)[O-] ZINC001588788996 984195477 /nfs/dbraw/zinc/19/54/77/984195477.db2.gz UOLRRIKQIYIWKH-LBPRGKRZSA-N -1 0 379.507 3.326 20 30 GGEDRM C=CCCC[C@@H](NC(=O)[C@H]1CCOc2ccc(Br)cc21)C(=O)[O-] ZINC001588789309 984197671 /nfs/dbraw/zinc/19/76/71/984197671.db2.gz AWIMYHJPTDBNNG-GXTWGEPZSA-N -1 0 382.254 3.241 20 30 GGEDRM C=CCCC[C@@H](NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)c2ccccc21)C(=O)[O-] ZINC001588789712 984200294 /nfs/dbraw/zinc/20/02/94/984200294.db2.gz IJBRKEHMERQFDF-HZPDHXFCSA-N -1 0 388.464 3.451 20 30 GGEDRM C=CCCC[C@@H](NC(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1)C(=O)[O-] ZINC001588789768 984200852 /nfs/dbraw/zinc/20/08/52/984200852.db2.gz JKBXATDDWYYKOF-CYBMUJFWSA-N -1 0 398.912 3.179 20 30 GGEDRM C=CCCC[C@@H](NC(=O)[C@H]1CCCN(C(=O)Nc2cccc(C)c2)C1)C(=O)[O-] ZINC001588789853 984201666 /nfs/dbraw/zinc/20/16/66/984201666.db2.gz LJADVWBHIDDVIP-FUHWJXTLSA-N -1 0 387.480 3.165 20 30 GGEDRM C=CCCC[C@@H](NC(=O)[C@@H]1CCCN(C(=O)Nc2cccc(C)c2)C1)C(=O)[O-] ZINC001588789854 984201731 /nfs/dbraw/zinc/20/17/31/984201731.db2.gz LJADVWBHIDDVIP-SJLPKXTDSA-N -1 0 387.480 3.165 20 30 GGEDRM C=CCCC[C@H](NC(=O)[C@H]1CC(c2ccc(Cl)cc2Cl)=NO1)C(=O)[O-] ZINC001588789930 984202092 /nfs/dbraw/zinc/20/20/92/984202092.db2.gz NHYRHTNUVVVFQK-DZGCQCFKSA-N -1 0 385.247 3.412 20 30 GGEDRM C=CCCC[C@@H](NC(=O)C1(C2CCN(C(=O)OC(C)(C)C)CC2)CC1)C(=O)[O-] ZINC001588790115 984204103 /nfs/dbraw/zinc/20/41/03/984204103.db2.gz QPQBECGPVIQJIC-MRXNPFEDSA-N -1 0 394.512 3.339 20 30 GGEDRM C=CCCC[C@H](NC(=O)/C=C/[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C(=O)[O-] ZINC001588790520 984206262 /nfs/dbraw/zinc/20/62/62/984206262.db2.gz XVNABXBOZSHEMX-WFPWZJHXSA-N -1 0 380.485 3.115 20 30 GGEDRM C=CCCC[C@H](NC(=O)c1cc2ccc(Br)cc2c(=O)o1)C(=O)[O-] ZINC001588792456 984209322 /nfs/dbraw/zinc/20/93/22/984209322.db2.gz HNQVXLLDEMUMJF-ZDUSSCGKSA-N -1 0 394.221 3.095 20 30 GGEDRM C=CCCC[C@@H](NC(=O)c1ccccc1C(=O)c1ccc(OC)cc1)C(=O)[O-] ZINC001588792776 984212962 /nfs/dbraw/zinc/21/29/62/984212962.db2.gz FCZJPPCGKXINPL-LJQANCHMSA-N -1 0 381.428 3.466 20 30 GGEDRM C=CCCC[C@H](NC(=O)c1cc(-c2c(C)nn([C@@H](C)CC)c2C)n[nH]1)C(=O)[O-] ZINC001588792825 984213480 /nfs/dbraw/zinc/21/34/80/984213480.db2.gz OAAGPWPVRZDGEJ-WFASDCNBSA-N -1 0 387.484 3.400 20 30 GGEDRM C=CCCC[C@H](NC(=O)c1ccc(Cn2ccc(C(F)(F)F)n2)cc1)C(=O)[O-] ZINC001588792984 984214995 /nfs/dbraw/zinc/21/49/95/984214995.db2.gz QOYKBTKXGPLTBJ-HNNXBMFYSA-N -1 0 395.381 3.490 20 30 GGEDRM C=CCCC[C@@H](NC(=O)c1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2)C(=O)[O-] ZINC001588793201 984217144 /nfs/dbraw/zinc/21/71/44/984217144.db2.gz MRIBQZAZKQRMBD-QGZVFWFLSA-N -1 0 388.464 3.477 20 30 GGEDRM C=CCCC[C@H](NC(=O)c1cccc2c1CN(C(=O)OC(C)(C)C)C2)C(=O)[O-] ZINC001588793349 984218113 /nfs/dbraw/zinc/21/81/13/984218113.db2.gz PELDRXSNRBDIGX-KRWDZBQOSA-N -1 0 388.464 3.477 20 30 GGEDRM C=CCCC[C@H](NC(=O)[C@@]12CCC[C@@H]1N(C(=O)OC(C)(C)C)CC2)C(=O)[O-] ZINC001588793936 984223020 /nfs/dbraw/zinc/22/30/20/984223020.db2.gz GDLOELACHFSVIU-AUSJPIAWSA-N -1 0 380.485 3.092 20 30 GGEDRM C=CCCC[C@H](NC(=O)[C@H](NC(=O)c1ccc(Cl)s1)C(C)C)C(=O)[O-] ZINC001588793983 984223798 /nfs/dbraw/zinc/22/37/98/984223798.db2.gz HJUZHCLFXPPTBY-SMDDNHRTSA-N -1 0 386.901 3.082 20 30 GGEDRM C=CCCC[C@@H](NC(=O)c1c(C(F)(F)F)nn(CC)c1C(F)F)C(=O)[O-] ZINC001588794048 984224209 /nfs/dbraw/zinc/22/42/09/984224209.db2.gz JWRMCQLGYBBGLI-MRVPVSSYSA-N -1 0 383.317 3.399 20 30 GGEDRM C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)[O-])C1CCCC1 ZINC001588794042 984224302 /nfs/dbraw/zinc/22/43/02/984224302.db2.gz JVLFICGTXQQBAY-CVEARBPZSA-N -1 0 382.501 3.386 20 30 GGEDRM C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C(=O)[O-])c1ccsc1 ZINC001588794232 984225155 /nfs/dbraw/zinc/22/51/55/984225155.db2.gz OYAGUCZKKPUJTQ-KBPBESRZSA-N -1 0 382.482 3.240 20 30 GGEDRM C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](C(=O)[O-])c1ccccc1 ZINC001588794251 984225950 /nfs/dbraw/zinc/22/59/50/984225950.db2.gz PJINADZFQQYRRW-IAGOWNOFSA-N -1 0 390.480 3.221 20 30 GGEDRM C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](C(=O)[O-])c1ccccc1 ZINC001588794250 984226025 /nfs/dbraw/zinc/22/60/25/984226025.db2.gz PJINADZFQQYRRW-DLBZAZTESA-N -1 0 390.480 3.221 20 30 GGEDRM C=CCCC[C@H](NC(=O)c1c(O)cnc2c(Br)cccc21)C(=O)[O-] ZINC001588794596 984228974 /nfs/dbraw/zinc/22/89/74/984228974.db2.gz ZMRQZQQDTHADLK-LBPRGKRZSA-N -1 0 393.237 3.242 20 30 GGEDRM C=CCCC[C@@H](NC(=O)c1nn(-c2cccc(F)c2F)c2c1CCC2)C(=O)[O-] ZINC001588797373 984229557 /nfs/dbraw/zinc/22/95/57/984229557.db2.gz DFWBYMWMMNLOAM-CQSZACIVSA-N -1 0 389.402 3.179 20 30 GGEDRM C=CCCC[C@@H](NC(=O)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2)C(=O)[O-] ZINC001588797819 984231735 /nfs/dbraw/zinc/23/17/35/984231735.db2.gz MCGDNSCLWVDMSC-MRXNPFEDSA-N -1 0 389.402 3.179 20 30 GGEDRM C=CCCC[C@H](NC(=O)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2)C(=O)[O-] ZINC001588797816 984231749 /nfs/dbraw/zinc/23/17/49/984231749.db2.gz MCGDNSCLWVDMSC-INIZCTEOSA-N -1 0 389.402 3.179 20 30 GGEDRM C=CCCC[C@@H](NC(=O)c1csc([C@H](C)NC(=O)OC(C)(C)C)n1)C(=O)[O-] ZINC001588798233 984234377 /nfs/dbraw/zinc/23/43/77/984234377.db2.gz YLSMWIBWNIQMRD-NWDGAFQWSA-N -1 0 397.497 3.268 20 30 GGEDRM C=CCCC[C@H](NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)C(=O)[O-] ZINC001588798372 984235411 /nfs/dbraw/zinc/23/54/11/984235411.db2.gz CMUALQDHJGPJPY-NSHDSACASA-N -1 0 385.791 3.447 20 30 GGEDRM C=CCCC[C@H](NS(=O)(=O)c1nc(C)sc1-c1ccccc1)C(=O)[O-] ZINC001588798633 984237795 /nfs/dbraw/zinc/23/77/95/984237795.db2.gz MFPZJTAQQNATJB-AWEZNQCLSA-N -1 0 380.491 3.206 20 30 GGEDRM C=CCCCN(CC)S(=O)(=O)c1ccc(Br)cc1CC(=O)[O-] ZINC001588801310 984245000 /nfs/dbraw/zinc/24/50/00/984245000.db2.gz HZCMNUUYAGCWHR-UHFFFAOYSA-N -1 0 390.299 3.053 20 30 GGEDRM C=CCCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@H](C(=O)[O-])C1 ZINC001588802090 984247627 /nfs/dbraw/zinc/24/76/27/984247627.db2.gz BPGWRSJANWQXDQ-MAUKXSAKSA-N -1 0 398.463 3.058 20 30 GGEDRM C=CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001588802231 984248310 /nfs/dbraw/zinc/24/83/10/984248310.db2.gz GFSHJNFQSSJEBW-OAHLLOKOSA-N -1 0 385.424 3.121 20 30 GGEDRM C=CCCCCNC(=O)N1CCN([C@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC001588802241 984248535 /nfs/dbraw/zinc/24/85/35/984248535.db2.gz GKGPPCWGHOIIRN-KRWDZBQOSA-N -1 0 379.888 3.149 20 30 GGEDRM C=CCCCn1c(Cc2ccccc2OC)nnc1N1CCC[C@H](C(=O)[O-])C1 ZINC001588805521 984253790 /nfs/dbraw/zinc/25/37/90/984253790.db2.gz BOMNISBYUGBHGZ-KRWDZBQOSA-N -1 0 384.480 3.145 20 30 GGEDRM C=CCCCn1c(COc2ccc(C)cc2)nnc1N1CCC[C@@H](C(=O)[O-])C1 ZINC001588805519 984254216 /nfs/dbraw/zinc/25/42/16/984254216.db2.gz ATGIMNQWWMGQPJ-QGZVFWFLSA-N -1 0 384.480 3.433 20 30 GGEDRM C=CCCCn1c([C@@H](CC)c2ccccc2)nnc1N1C[C@@H](CC(=O)[O-])[C@H](O)C1 ZINC001588805605 984254447 /nfs/dbraw/zinc/25/44/47/984254447.db2.gz HJUVORNIQXYWAP-CEXWTWQISA-N -1 0 398.507 3.058 20 30 GGEDRM C=CCCCn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001588805946 984256638 /nfs/dbraw/zinc/25/66/38/984256638.db2.gz VJTSUGQMUCHWNU-CQSZACIVSA-N -1 0 390.871 3.388 20 30 GGEDRM C=CCCN(OCc1ccccc1)S(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC001588807306 984259323 /nfs/dbraw/zinc/25/93/23/984259323.db2.gz IDTNGRAOGMBBJK-SDNWHVSQSA-N -1 0 387.457 3.483 20 30 GGEDRM C=CCCN(OCc1ccccc1)S(=O)(=O)c1cccc(C)c1C(=O)[O-] ZINC001588807493 984260074 /nfs/dbraw/zinc/26/00/74/984260074.db2.gz MEMBZHMTOCPLSM-UHFFFAOYSA-N -1 0 375.446 3.392 20 30 GGEDRM C=CCCN(OCc1ccccc1)S(=O)(=O)c1c(C)csc1C(=O)[O-] ZINC001588807452 984260110 /nfs/dbraw/zinc/26/01/10/984260110.db2.gz KVIHDHYQTLKAOX-UHFFFAOYSA-N -1 0 381.475 3.453 20 30 GGEDRM C=CCCOCCNC(=O)Nc1cc(Br)c(F)c(C(=O)[O-])c1 ZINC001588813635 984270352 /nfs/dbraw/zinc/27/03/52/984270352.db2.gz YHXOPXUWICIZBH-UHFFFAOYSA-N -1 0 375.194 3.001 20 30 GGEDRM C=CCCSCCNC(=O)N1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)[O-])C1 ZINC001588814605 984271668 /nfs/dbraw/zinc/27/16/68/984271668.db2.gz HVDHHRPVQPJEET-JKSUJKDBSA-N -1 0 382.913 3.459 20 30 GGEDRM C=CCCc1ccc(S(=O)(=O)N[C@@H](C(=O)[O-])c2ccc(F)c(C)c2)cc1 ZINC001588814754 984272660 /nfs/dbraw/zinc/27/26/60/984272660.db2.gz PLVAIRPSPOPPDF-GOSISDBHSA-N -1 0 377.437 3.357 20 30 GGEDRM C=CCCc1ccc(S(=O)(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cc1 ZINC001588814802 984273596 /nfs/dbraw/zinc/27/35/96/984273596.db2.gz RGOSCPFGNLYIHP-HXUWFJFHSA-N -1 0 398.484 3.261 20 30 GGEDRM C=CCN(C(=O)/C=C/c1cc(C(=O)[O-])co1)[C@H](Cc1ccccc1)C(=O)OCC ZINC001588820187 984283001 /nfs/dbraw/zinc/28/30/01/984283001.db2.gz VKNNLLCWXXUCTL-GNISGLHKSA-N -1 0 397.427 3.180 20 30 GGEDRM C=CCN(C(=O)Cc1ccccc1C(=O)[O-])[C@H](Cc1ccccc1)C(=O)OCC ZINC001588820448 984284301 /nfs/dbraw/zinc/28/43/01/984284301.db2.gz CRFJBLPNBPFOTB-HXUWFJFHSA-N -1 0 395.455 3.116 20 30 GGEDRM C=CCN(CCC#N)C(=O)Nc1cc(OC)c(Br)cc1C(=O)[O-] ZINC001588826604 984304909 /nfs/dbraw/zinc/30/49/09/984304909.db2.gz MKSWRDVHYPAJKP-UHFFFAOYSA-N -1 0 382.214 3.089 20 30 GGEDRM C=CCN(CCc1ccccc1)S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC001588829000 984310944 /nfs/dbraw/zinc/31/09/44/984310944.db2.gz XNTZUVAFPKVXBL-UHFFFAOYSA-N -1 0 379.865 3.458 20 30 GGEDRM C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H]1CC=C(C(=O)[O-])C1 ZINC001588829391 984314278 /nfs/dbraw/zinc/31/42/78/984314278.db2.gz XSEMIXLGSABHGK-CQSZACIVSA-N -1 0 397.244 3.459 20 30 GGEDRM C=CCN(CCc1ccco1)S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1OC ZINC001588829400 984314613 /nfs/dbraw/zinc/31/46/13/984314613.db2.gz YRPUIRJLXOUFQO-UHFFFAOYSA-N -1 0 399.852 3.059 20 30 GGEDRM C=CCN(Cc1cccs1)C(=O)[C@@H](C)OC(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC001588831616 984315441 /nfs/dbraw/zinc/31/54/41/984315441.db2.gz DRAVXQGDGHLRSL-GFCCVEGCSA-N -1 0 391.420 3.346 20 30 GGEDRM C=CCN(Cc1ccccc1F)Cn1nc(C(=O)[O-])c(Br)c1C ZINC001588831630 984315480 /nfs/dbraw/zinc/31/54/80/984315480.db2.gz FSQJGENQFOVEJV-UHFFFAOYSA-N -1 0 382.233 3.437 20 30 GGEDRM C=CCN(Cc1cccs1)C(=O)[C@H](C)OC(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC001588831617 984315695 /nfs/dbraw/zinc/31/56/95/984315695.db2.gz DRAVXQGDGHLRSL-LBPRGKRZSA-N -1 0 391.420 3.346 20 30 GGEDRM C=CCN1C(=O)N(c2cc3[nH]ccc3c(C(=O)[O-])c2)C(=O)[C@H]1Cc1ccccc1 ZINC001588832127 984319439 /nfs/dbraw/zinc/31/94/39/984319439.db2.gz BVLTWTSVEOTLBX-LJQANCHMSA-N -1 0 389.411 3.432 20 30 GGEDRM C=CCN(Cc1ccc(OC)cc1)S(=O)(=O)c1cccc(Cl)c1C(=O)[O-] ZINC001588832281 984320598 /nfs/dbraw/zinc/32/05/98/984320598.db2.gz AQJBJHZPCZURTB-UHFFFAOYSA-N -1 0 395.864 3.424 20 30 GGEDRM C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1nc2c(s1)CC[C@H](C(=O)[O-])C2 ZINC001588832706 984325040 /nfs/dbraw/zinc/32/50/40/984325040.db2.gz NGDDPPLDDIPUEH-HNNXBMFYSA-N -1 0 396.472 3.424 20 30 GGEDRM C=CCN1C(=O)c2ccc(C(=O)Nc3sc(C)c(C)c3C(=O)[O-])cc2C1=O ZINC001588837026 984331623 /nfs/dbraw/zinc/33/16/23/984331623.db2.gz PEBNTKFPYSWOLO-UHFFFAOYSA-N -1 0 384.413 3.097 20 30 GGEDRM C=CCN1C(=O)c2ccc(C(=O)Oc3ccc(C(=O)[O-])cc3Cl)cc2C1=O ZINC001588837294 984333587 /nfs/dbraw/zinc/33/35/87/984333587.db2.gz XTYWQTRDDNMCFS-UHFFFAOYSA-N -1 0 385.759 3.039 20 30 GGEDRM C=CCNC(=O)Nc1ccc(NC(=O)Cn2cc(C(=O)[O-])c3ccccc32)cc1 ZINC001588843854 984354572 /nfs/dbraw/zinc/35/45/72/984354572.db2.gz JMNSWDLMJNJHDZ-UHFFFAOYSA-N -1 0 392.415 3.286 20 30 GGEDRM C=CCNC(=O)c1ccc(NC(=O)N[C@H](CC(=O)[O-])c2ccc(C)cc2)cc1 ZINC001588844037 984355152 /nfs/dbraw/zinc/35/51/52/984355152.db2.gz NSMVMXLHQVJILL-GOSISDBHSA-N -1 0 381.432 3.248 20 30 GGEDRM C=CCNC(=O)c1ccc(NC(=O)N[C@H](CCC(=O)[O-])Cc2ccccc2)cc1 ZINC001588844008 984355373 /nfs/dbraw/zinc/35/53/73/984355373.db2.gz MUFCYYRVISVXSV-LJQANCHMSA-N -1 0 395.459 3.200 20 30 GGEDRM C=CCNc1ncc(C(=O)N[C@@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)s1 ZINC001588849217 984369400 /nfs/dbraw/zinc/36/94/00/984369400.db2.gz DQJJMHZKDXVKDR-GFCCVEGCSA-N -1 0 385.367 3.316 20 30 GGEDRM C=CCNc1ncc(C(=O)N[C@H](c2ccc(C(=O)[O-])cc2)C(F)(F)F)s1 ZINC001588849228 984369708 /nfs/dbraw/zinc/36/97/08/984369708.db2.gz FFYZGBMIYUBRQS-GFCCVEGCSA-N -1 0 385.367 3.473 20 30 GGEDRM C=CCNc1ncc(C(=O)N2CCC[C@H]2c2nc(C(=O)[O-])c(C)s2)s1 ZINC001588849459 984371325 /nfs/dbraw/zinc/37/13/25/984371325.db2.gz SADADHVDWRALJO-JTQLQIEISA-N -1 0 378.479 3.181 20 30 GGEDRM C=CCO[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccnc(C(=O)[O-])c3)cc2)C1 ZINC001588849658 984373477 /nfs/dbraw/zinc/37/34/77/984373477.db2.gz DAACBJAZBHCBGT-QGZVFWFLSA-N -1 0 383.404 3.381 20 30 GGEDRM CCOC(=O)[C@@H](Cc1ccccc1Cl)N[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC001596536100 984374591 /nfs/dbraw/zinc/37/45/91/984374591.db2.gz QAOUKMILAWZIKR-MSOLQXFVSA-N -1 0 386.835 3.101 20 30 GGEDRM CCOC(=O)[C@H](Cc1ccccc1Cl)N[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC001596536102 984374683 /nfs/dbraw/zinc/37/46/83/984374683.db2.gz QAOUKMILAWZIKR-ROUUACIJSA-N -1 0 386.835 3.101 20 30 GGEDRM C=CCOC[C@H](NC(=O)/C(=C/c1ccc(F)cc1)c1cccs1)C(=O)[O-] ZINC001588850833 984380463 /nfs/dbraw/zinc/38/04/63/984380463.db2.gz GZKCYEADIOMVCN-SFKKXYGYSA-N -1 0 375.421 3.200 20 30 GGEDRM C=CCOC[C@@H](NC(=O)/C=C/c1ccc(-c2ccc(F)cc2)s1)C(=O)[O-] ZINC001588854328 984390232 /nfs/dbraw/zinc/39/02/32/984390232.db2.gz WISUKHCTGJBDTQ-XAVKZTDYSA-N -1 0 375.421 3.339 20 30 GGEDRM C=CCOC[C@H](NC(=O)[C@@H]1CCCC[C@@H]1c1nc2ccccc2s1)C(=O)[O-] ZINC001588855224 984391401 /nfs/dbraw/zinc/39/14/01/984391401.db2.gz DKIOADWDUNQXJQ-YCPHGPKFSA-N -1 0 388.489 3.342 20 30 GGEDRM C=CCOC[C@@H](NC(=O)c1c(C)onc1-c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC001588856638 984401293 /nfs/dbraw/zinc/40/12/93/984401293.db2.gz OFPXZTBRWLTFNB-CYBMUJFWSA-N -1 0 399.230 3.342 20 30 GGEDRM C=CCOC[C@H](NC(=O)c1c(C)onc1-c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC001588857428 984403566 /nfs/dbraw/zinc/40/35/66/984403566.db2.gz YYZRZJFHFZCUFP-ZDUSSCGKSA-N -1 0 398.337 3.054 20 30 GGEDRM C=CCOC[C@@H](NC(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C)C(=O)[O-] 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ZINC001599940768 985451621 /nfs/dbraw/zinc/45/16/21/985451621.db2.gz RHXQMMBIBZBXPK-GFCCVEGCSA-N -1 0 381.432 3.110 20 30 GGEDRM Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1[C@H](C(=O)[O-])CC[C@H]1c1ccccc1 ZINC001599940824 985452647 /nfs/dbraw/zinc/45/26/47/985452647.db2.gz UPHFGIDQHDNBKN-OALUTQOASA-N -1 0 393.443 3.025 20 30 GGEDRM CC(=O)Nc1cc(Cl)c(NC(=O)NCC2CCC(C#N)CC2)cc1C(=O)[O-] ZINC001589173829 985541516 /nfs/dbraw/zinc/54/15/16/985541516.db2.gz QMIGNVDGCHJYAY-UHFFFAOYSA-N -1 0 392.843 3.448 20 30 GGEDRM CC(=O)Nc1cc(Cl)c(NC(=O)c2ccc(F)c(C#N)c2)cc1C(=O)[O-] ZINC001589174150 985544150 /nfs/dbraw/zinc/54/41/50/985544150.db2.gz UYJGLJQMJWHQJM-UHFFFAOYSA-N -1 0 375.743 3.260 20 30 GGEDRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)OCc1cc(Br)cc(C#N)c1 ZINC001599957441 985713798 /nfs/dbraw/zinc/71/37/98/985713798.db2.gz OPNHYGHRYXSQJD-UHFFFAOYSA-N -1 0 377.194 3.321 20 30 GGEDRM Cc1[nH]c(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)c(C)c1C(=O)OC(C)C ZINC001599961357 985787476 /nfs/dbraw/zinc/78/74/76/985787476.db2.gz RMQKVAKRPDSUEX-KRWDZBQOSA-N -1 0 384.388 3.051 20 30 GGEDRM CC(=O)c1[nH]c(CC(=O)N(c2cccc(C#N)c2)C2CCC2)c(C(=O)[O-])c1C ZINC001589233067 985787558 /nfs/dbraw/zinc/78/75/58/985787558.db2.gz BWEOMHKQAVQXIZ-UHFFFAOYSA-N -1 0 379.416 3.224 20 30 GGEDRM CC(=O)c1[nH]c(CC(=O)N(c2ccc(C#N)cc2)C2CCC2)c(C(=O)[O-])c1C ZINC001589234988 985794638 /nfs/dbraw/zinc/79/46/38/985794638.db2.gz XRTYTFUYPRESED-UHFFFAOYSA-N -1 0 379.416 3.224 20 30 GGEDRM CC(=O)c1[nH]c(CC(=O)N2CCC(c3ccc(C#N)cc3)CC2)c(C(=O)[O-])c1C ZINC001589236287 985795138 /nfs/dbraw/zinc/79/51/38/985795138.db2.gz ANSCAUAPXVMXEI-UHFFFAOYSA-N -1 0 393.443 3.044 20 30 GGEDRM CCOCCCN(C[C@H](C)C(=O)[O-])c1cc(Br)c(C#N)cc1F ZINC001596914723 985931581 /nfs/dbraw/zinc/93/15/81/985931581.db2.gz GZNWVFCOGHRNNF-NSHDSACASA-N -1 0 387.249 3.414 20 30 GGEDRM Cc1c(C)n(C2CCCC2)c(NC(=O)COC(=O)C[C@H](C)CC(=O)[O-])c1C#N ZINC001599972959 986040182 /nfs/dbraw/zinc/04/01/82/986040182.db2.gz DASYTZMLISMAGD-GFCCVEGCSA-N -1 0 389.452 3.074 20 30 GGEDRM Cc1c(C)n(-c2ccccc2)c(NC(=O)CN(CC(=O)[O-])C2CCCC2)c1C#N ZINC001599973368 986046459 /nfs/dbraw/zinc/04/64/59/986046459.db2.gz PMOYMMLJUNBAIT-UHFFFAOYSA-N -1 0 394.475 3.234 20 30 GGEDRM Cc1c(C)n(C2CCCC2)c(NC(=O)CN2CCCCC[C@H]2C(=O)[O-])c1C#N ZINC001599973561 986050458 /nfs/dbraw/zinc/05/04/58/986050458.db2.gz ZJAUFCNFYMFDFB-SFHVURJKSA-N -1 0 386.496 3.359 20 30 GGEDRM Cc1c(C)n(-c2ccccc2)c(NC(=O)CCCn2ccc(C(=O)[O-])n2)c1C#N ZINC001599974140 986060289 /nfs/dbraw/zinc/06/02/89/986060289.db2.gz MLGMGKCCNJNSCS-UHFFFAOYSA-N -1 0 391.431 3.279 20 30 GGEDRM Cc1c(C(=O)N(C)[C@@H](C(=O)[O-])c2cccc(Cl)c2Cl)cnn1CCC#N ZINC001599975066 986076888 /nfs/dbraw/zinc/07/68/88/986076888.db2.gz QYBAYLNZXPNEFO-OAHLLOKOSA-N -1 0 395.246 3.310 20 30 GGEDRM Cc1c2cc(C#N)ccc2sc1C(=O)N1CCC[C@@](O)(C2(C(=O)[O-])CCC2)C1 ZINC001599977354 986111484 /nfs/dbraw/zinc/11/14/84/986111484.db2.gz HCGFTDKZPAURKZ-NRFANRHFSA-N -1 0 398.484 3.303 20 30 GGEDRM Cc1c2cc(C#N)ccc2sc1C(=O)N[C@H](Cc1ccccc1O)C(=O)[O-] ZINC001599980932 986161430 /nfs/dbraw/zinc/16/14/30/986161430.db2.gz PPKFREJVRSPRHK-OAHLLOKOSA-N -1 0 380.425 3.213 20 30 GGEDRM C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@H]1CCCn2nc(C(=O)[O-])cc21 ZINC001589332037 986196011 /nfs/dbraw/zinc/19/60/11/986196011.db2.gz WFWWGTCCJYGSCP-STQMWFEESA-N -1 0 399.476 3.490 20 30 GGEDRM C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@]1(CC(=O)[O-])CCCOC1 ZINC001589332103 986196863 /nfs/dbraw/zinc/19/68/63/986196863.db2.gz XTXDYNWGIIBTFS-SCLBCKFNSA-N -1 0 377.466 3.084 20 30 GGEDRM C[C@H](C#N)N(C)C(=O)c1ccccc1SCC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001589332113 986196978 /nfs/dbraw/zinc/19/69/78/986196978.db2.gz YHTYBNIJDDSTNU-CYBMUJFWSA-N -1 0 397.456 3.100 20 30 GGEDRM Cc1c(C(=O)[O-])c2cc(OC(=O)[C@H](C#N)Cc3ccc(C#N)cc3)ccc2n1C ZINC001599985463 986221396 /nfs/dbraw/zinc/22/13/96/986221396.db2.gz RESPLLVZBUFPHE-INIZCTEOSA-N -1 0 387.395 3.344 20 30 GGEDRM Cc1c(C(=O)[O-])c2cc(OC(=O)Cc3cccc(OCC#N)c3)ccc2n1C ZINC001599985720 986224650 /nfs/dbraw/zinc/22/46/50/986224650.db2.gz KQGNVQRDQSYLIN-UHFFFAOYSA-N -1 0 378.384 3.235 20 30 GGEDRM CCOc1cc(C#N)ccc1OS(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1C ZINC001596993574 986285665 /nfs/dbraw/zinc/28/56/65/986285665.db2.gz LQSWGMCZSNQEPL-UHFFFAOYSA-N -1 0 395.820 3.385 20 30 GGEDRM C[C@H]1CN(S(=O)(=O)c2ccc(C#N)cc2C(=O)[O-])CC[C@H]1c1ccccc1 ZINC001594555843 986290919 /nfs/dbraw/zinc/29/09/19/986290919.db2.gz ZQSLWRITBGPFHV-WMLDXEAASA-N -1 0 384.457 3.071 20 30 GGEDRM CCOc1cc(C(=O)NC(C)(C)Cc2ccc(C#N)cc2)ccc1OCC(=O)[O-] ZINC001596999728 986310334 /nfs/dbraw/zinc/31/03/34/986310334.db2.gz FIUWVNMUPIZQQU-UHFFFAOYSA-N -1 0 396.443 3.171 20 30 GGEDRM C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1C(=O)NCC1(C#N)CCCCC1 ZINC001594561673 986321995 /nfs/dbraw/zinc/32/19/95/986321995.db2.gz HQXBAQOBDKMXRO-INIZCTEOSA-N -1 0 384.480 3.079 20 30 GGEDRM CCOc1cc(C(=O)[O-])ccc1NC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC001597009098 986340303 /nfs/dbraw/zinc/34/03/03/986340303.db2.gz JHCMEYDNIAICED-HNNXBMFYSA-N -1 0 397.406 3.259 20 30 GGEDRM C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC001594566892 986355789 /nfs/dbraw/zinc/35/57/89/986355789.db2.gz DHPSGKLXUTZUMP-MRXNPFEDSA-N -1 0 389.455 3.291 20 30 GGEDRM C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1C(=O)Nc1ccc(C#N)c(F)c1 ZINC001594569760 986382703 /nfs/dbraw/zinc/38/27/03/986382703.db2.gz RHLXGERYCOWMER-ZDUSSCGKSA-N -1 0 382.395 3.138 20 30 GGEDRM C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1C(=O)c1[nH]c2ccccc2c1C#N ZINC001594569780 986383870 /nfs/dbraw/zinc/38/38/70/986383870.db2.gz RZRIIUXPEYXTJI-CQSZACIVSA-N -1 0 388.427 3.089 20 30 GGEDRM CCOc1cc(C(=O)Oc2ccc(C#N)cc2OCC)ccc1OCC(=O)[O-] ZINC001597028253 986439122 /nfs/dbraw/zinc/43/91/22/986439122.db2.gz LAYIOLHONPNMMB-UHFFFAOYSA-N -1 0 385.372 3.038 20 30 GGEDRM C[C@H]1CN(C(=O)c2cccc(OCc3ccccc3C#N)c2)CC[C@H]1C(=O)[O-] ZINC001589392589 986514193 /nfs/dbraw/zinc/51/41/93/986514193.db2.gz KOWWYVBQMWDRPU-MGPUTAFESA-N -1 0 378.428 3.320 20 30 GGEDRM CCOc1ccc(C#N)cc1NC(=O)N[C@@H](CC(=O)[O-])c1ccc(OC)cc1 ZINC001597055841 986536353 /nfs/dbraw/zinc/53/63/53/986536353.db2.gz LTKMYWQEUMMAIZ-INIZCTEOSA-N -1 0 383.404 3.303 20 30 GGEDRM CCOc1ccc(C#N)cc1NC(=O)N1CC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC001597056109 986540867 /nfs/dbraw/zinc/54/08/67/986540867.db2.gz RHZPKPDLVATESQ-GFCCVEGCSA-N -1 0 386.433 3.133 20 30 GGEDRM CCOc1ccc(C[C@H](CNC(=O)C#Cc2ccc(CC)cc2)C(=O)[O-])cc1 ZINC001597085370 986651810 /nfs/dbraw/zinc/65/18/10/986651810.db2.gz UPHAPJWKZAEARH-HXUWFJFHSA-N -1 0 379.456 3.059 20 30 GGEDRM CCOc1ccc(C[C@@H](CNC(=O)Nc2scc(C)c2C#N)C(=O)[O-])cc1 ZINC001597088460 986662123 /nfs/dbraw/zinc/66/21/23/986662123.db2.gz FOOMYNMAYHTICQ-AWEZNQCLSA-N -1 0 387.461 3.392 20 30 GGEDRM CCOc1ccc(C[C@H](CNC(=O)Nc2ccc(C#N)cc2OC)C(=O)[O-])cc1 ZINC001597089414 986671132 /nfs/dbraw/zinc/67/11/32/986671132.db2.gz VTTRCAVRTYCMCM-MRXNPFEDSA-N -1 0 397.431 3.031 20 30 GGEDRM C[C@H]1Cc2ccccc2N1Cc1ccoc1C(=O)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001594623455 986675408 /nfs/dbraw/zinc/67/54/08/986675408.db2.gz DBEJBXCOXAEGGK-HNNXBMFYSA-N -1 0 393.443 3.061 20 30 GGEDRM CCOc1ccc(C[C@H](CNc2nc3ncccc3cc2C#N)C(=O)[O-])cc1 ZINC001597095972 986699941 /nfs/dbraw/zinc/69/99/41/986699941.db2.gz XMWLFZYOKZFYCB-QGZVFWFLSA-N -1 0 376.416 3.256 20 30 GGEDRM CCOc1ccc(C[C@@H](CNc2nc3ncccc3cc2C#N)C(=O)[O-])cc1 ZINC001597095971 986700018 /nfs/dbraw/zinc/70/00/18/986700018.db2.gz XMWLFZYOKZFYCB-KRWDZBQOSA-N -1 0 376.416 3.256 20 30 GGEDRM CCOc1ccc(N(CCC#N)C(=O)CSc2nc(C(=O)[O-])cs2)cc1 ZINC001597105668 986740603 /nfs/dbraw/zinc/74/06/03/986740603.db2.gz JFOKPJSKPHGBBA-UHFFFAOYSA-N -1 0 391.474 3.279 20 30 GGEDRM C[C@H](C(=O)Nc1cccc(CSc2ccccn2)c1)N(CC#N)CCC(=O)[O-] ZINC001589440581 986787843 /nfs/dbraw/zinc/78/78/43/986787843.db2.gz ZBHZWALTHCFLOA-OAHLLOKOSA-N -1 0 398.488 3.001 20 30 GGEDRM C[C@@H]1OCC[C@@]1(C)NC(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC001594641225 986792982 /nfs/dbraw/zinc/79/29/82/986792982.db2.gz VYNZIBWHLAEBEF-OYHNWAKOSA-N -1 0 378.428 3.474 20 30 GGEDRM C[C@@H]1OCC[C@]1(C)NC(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC001594641224 986793015 /nfs/dbraw/zinc/79/30/15/986793015.db2.gz VYNZIBWHLAEBEF-NYHFZMIOSA-N -1 0 378.428 3.474 20 30 GGEDRM C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCc2cc(C(=O)[O-])ccc2C1 ZINC001589448399 986821689 /nfs/dbraw/zinc/82/16/89/986821689.db2.gz ITUDVAJFXNXKBW-LBPRGKRZSA-N -1 0 395.484 3.192 20 30 GGEDRM C[C@H](C(=O)[O-])[C@@H](NC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1)c1ccccc1 ZINC001589453034 986856444 /nfs/dbraw/zinc/85/64/44/986856444.db2.gz CDWLWMDXULTOGB-GZRFBZBPSA-N -1 0 395.434 3.102 20 30 GGEDRM CCOc1ccccc1C(F)(F)C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC001597173834 987022706 /nfs/dbraw/zinc/02/27/06/987022706.db2.gz QTMFFNCWHPSFKX-INIZCTEOSA-N -1 0 375.327 3.418 20 30 GGEDRM C[C@H](C(=O)[O-])c1ccc(NC(=O)CCCC(=O)Nc2ccccc2C#N)cc1 ZINC001589503376 987107956 /nfs/dbraw/zinc/10/79/56/987107956.db2.gz DDYFVHMOXUHDAO-AWEZNQCLSA-N -1 0 379.416 3.494 20 30 GGEDRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)N2CCN(c3ccccc3C#N)CC2)cc1 ZINC001589508617 987129725 /nfs/dbraw/zinc/12/97/25/987129725.db2.gz KUNHOZLEKSXIQT-OAHLLOKOSA-N -1 0 378.432 3.100 20 30 GGEDRM C[C@@H](C(=O)[O-])c1ccc(NC(=O)N2CCCN(c3ccccc3C#N)CC2)cc1 ZINC001589509775 987132802 /nfs/dbraw/zinc/13/28/02/987132802.db2.gz QPAGEODNXXVMOO-MRXNPFEDSA-N -1 0 392.459 3.491 20 30 GGEDRM C[C@@H](C(=O)[O-])c1cccc(NC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)c1 ZINC001589521971 987172226 /nfs/dbraw/zinc/17/22/26/987172226.db2.gz GRYXABKTPLYSAQ-CJNGLKHVSA-N -1 0 381.407 3.350 20 30 GGEDRM CCC(=O)c1cccc(C#N)c1OS(=O)(=O)c1cc(C(=O)[O-])cc(C)c1C ZINC001594721962 987207056 /nfs/dbraw/zinc/20/70/56/987207056.db2.gz CTPFQLYPIUQBQK-UHFFFAOYSA-N -1 0 387.413 3.234 20 30 GGEDRM CCC(=O)c1cccc(C#N)c1OS(=O)(=O)c1ccc(Cl)cc1C(=O)[O-] ZINC001594722289 987210729 /nfs/dbraw/zinc/21/07/29/987210729.db2.gz MYJSZBABBQGGES-UHFFFAOYSA-N -1 0 393.804 3.270 20 30 GGEDRM CC[C@@H](C#N)N(CC)C(=O)c1ccc(-n2nc(C)c(CCC(=O)[O-])c2C)cc1 ZINC001594725035 987225505 /nfs/dbraw/zinc/22/55/05/987225505.db2.gz JGWUKTPYHDRTPG-KRWDZBQOSA-N -1 0 382.464 3.271 20 30 GGEDRM CC[C@H](C#N)Oc1cc(CNC(=O)Nc2ccc(C(=O)[O-])s2)ccc1OC ZINC001594725243 987228426 /nfs/dbraw/zinc/22/84/26/987228426.db2.gz PLLYKKKAGIXQHV-GFCCVEGCSA-N -1 0 389.433 3.458 20 30 GGEDRM CC[C@H](C#N)Oc1cccc(CNC(=O)NCCc2ccccc2C(=O)[O-])c1 ZINC001594725386 987229904 /nfs/dbraw/zinc/22/99/04/987229904.db2.gz UMKWZXZRENGKNL-QGZVFWFLSA-N -1 0 381.432 3.108 20 30 GGEDRM CC(C)(C#N)c1ccc(S(=O)(=O)N(CCC(=O)[O-])Cc2ccccc2)cc1 ZINC001589557494 987306616 /nfs/dbraw/zinc/30/66/16/987306616.db2.gz DJHMXYASIZJAHB-UHFFFAOYSA-N -1 0 386.473 3.153 20 30 GGEDRM CC(C)(C#N)c1ccc(S(=O)(=O)NC[C@H](C(=O)[O-])C2CCCCCC2)cc1 ZINC001589558019 987308208 /nfs/dbraw/zinc/30/82/08/987308208.db2.gz KTJHKKNUNIFOGL-SFHVURJKSA-N -1 0 392.521 3.437 20 30 GGEDRM CC(C)(C#N)c1ccc(S(=O)(=O)N[C@H](CC(=O)[O-])c2cccs2)cc1 ZINC001589558111 987309732 /nfs/dbraw/zinc/30/97/32/987309732.db2.gz MCXUDCVOBHDBPU-CQSZACIVSA-N -1 0 378.475 3.044 20 30 GGEDRM CC(C)(C(=O)N1CCC(c2cc(C(=O)[O-])on2)CC1)c1cc(F)cc(C#N)c1 ZINC001589562473 987319881 /nfs/dbraw/zinc/31/98/81/987319881.db2.gz CSACCFAZOYBBNT-UHFFFAOYSA-N -1 0 385.395 3.067 20 30 GGEDRM CC(C)(C(=O)N1C[C@@H](c2ccc(O)cc2)[C@H](C(=O)[O-])C1)c1cc(F)cc(C#N)c1 ZINC001589563499 987324440 /nfs/dbraw/zinc/32/44/40/987324440.db2.gz CXZOQHWOLWMWIA-RBUKOAKNSA-N -1 0 396.418 3.007 20 30 GGEDRM CC(C)(C(=O)[O-])[C@@H](NS(=O)(=O)Cc1ccc(CC#N)cc1)c1ccccc1 ZINC001589602306 987432175 /nfs/dbraw/zinc/43/21/75/987432175.db2.gz XGIVXHOUUVCGIE-SFHVURJKSA-N -1 0 386.473 3.024 20 30 GGEDRM CC(C)(C(=O)[O-])[C@@H](NS(=O)(=O)CC1(C#N)CCCCC1)c1ccccc1 ZINC001589602374 987433068 /nfs/dbraw/zinc/43/30/68/987433068.db2.gz ZFQRPNMHHBWBMI-INIZCTEOSA-N -1 0 378.494 3.232 20 30 GGEDRM CC(C)(C(=O)[O-])c1ccc(NC(=O)N2CCN(c3ccc(C#N)cc3)CC2)cc1 ZINC001589636180 987551269 /nfs/dbraw/zinc/55/12/69/987551269.db2.gz GCOCGCXEINMALL-UHFFFAOYSA-N -1 0 392.459 3.275 20 30 GGEDRM CC(C)(C(=O)[O-])n1ccc(NC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)n1 ZINC001589677740 987697689 /nfs/dbraw/zinc/69/76/89/987697689.db2.gz NRNGGLFVELFUTL-UHFFFAOYSA-N -1 0 397.313 3.117 20 30 GGEDRM CCc1cc(C#N)ccc1OS(=O)(=O)c1cccc2c1ccnc2C(=O)[O-] ZINC001597423837 987746189 /nfs/dbraw/zinc/74/61/89/987746189.db2.gz HTFKIZPXCKSRSI-UHFFFAOYSA-N -1 0 382.397 3.135 20 30 GGEDRM CC(C)(C)[C@@](C)(C#N)NS(=O)(=O)c1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC001589699582 987785897 /nfs/dbraw/zinc/78/58/97/987785897.db2.gz MMHFNZTVTVORSQ-CQSZACIVSA-N -1 0 378.372 3.010 20 30 GGEDRM CCc1cc(C(=O)[O-])ccc1NC(=O)N(C)CCOCc1ccc(C#N)cc1 ZINC001597452854 987852499 /nfs/dbraw/zinc/85/24/99/987852499.db2.gz YZKHWIHHDZCGDA-UHFFFAOYSA-N -1 0 381.432 3.499 20 30 GGEDRM CC(C)(C)C1CCC(C#N)(NS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)CC1 ZINC001589725933 987903842 /nfs/dbraw/zinc/90/38/42/987903842.db2.gz CDFKZZYLSIWBER-UHFFFAOYSA-N -1 0 382.457 3.301 20 30 GGEDRM CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)Cn3cc(C(=O)[O-])cn3)sc2C1 ZINC001589731347 987946622 /nfs/dbraw/zinc/94/66/22/987946622.db2.gz BLYNRYTXXWYDHH-GFCCVEGCSA-N -1 0 386.477 3.304 20 30 GGEDRM CC(C)(C)C[C@H](NC(=O)CN1CCC(C#N)(C(=O)[O-])CC1)c1ccc(F)cc1 ZINC001589745616 988041689 /nfs/dbraw/zinc/04/16/89/988041689.db2.gz QQTLOJWGXRKWTI-KRWDZBQOSA-N -1 0 389.471 3.110 20 30 GGEDRM CCc1ccc([C@H](C#N)N(C)C(=O)Cc2[nH]c(C(C)=O)c(C)c2C(=O)[O-])cc1 ZINC001597508191 988083964 /nfs/dbraw/zinc/08/39/64/988083964.db2.gz GCZGLODICSVBMP-KRWDZBQOSA-N -1 0 381.432 3.052 20 30 GGEDRM CC(C)(C)C[C@@H]1CCN(S(=O)(=O)c2ccc(C#N)cc2C(=O)[O-])C1(C)C ZINC001589764705 988106352 /nfs/dbraw/zinc/10/63/52/988106352.db2.gz SUZZNRJRIGNISB-AWEZNQCLSA-N -1 0 378.494 3.482 20 30 GGEDRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)C(=O)/C=C\c2ccc(F)cc2)cc1 ZINC001599810380 988323975 /nfs/dbraw/zinc/32/39/75/988323975.db2.gz TWZXRWRNVRBRJD-IAQFLPNQSA-N -1 0 387.432 3.462 20 30 GGEDRM CSc1ccc(NC(=O)CON=C(C)c2ccc(OCC(=O)[O-])cc2)cc1 ZINC001599815809 988421791 /nfs/dbraw/zinc/42/17/91/988421791.db2.gz VLIGMHAAAFMZKM-UHFFFAOYSA-N -1 0 388.445 3.251 20 30 GGEDRM CCc1cccc2c3c([nH]c21)[C@@](CC)(CC(=O)N(CC#N)CCC(=O)[O-])OCC3 ZINC001597603517 988467967 /nfs/dbraw/zinc/46/79/67/988467967.db2.gz HBXUHJCYQLIGQU-JOCHJYFZSA-N -1 0 397.475 3.125 20 30 GGEDRM CSc1ccc(NC(=O)N2CCN(c3ccc(C#N)cc3)CC2)cc1C(=O)[O-] ZINC001599818662 988472705 /nfs/dbraw/zinc/47/27/05/988472705.db2.gz XLRKSCGGJPSJKC-UHFFFAOYSA-N -1 0 396.472 3.332 20 30 GGEDRM CSc1nc(C2CC2)cc(C(=O)NCCc2ccc(C(=O)[O-])cc2)c1C#N ZINC001599827321 988616485 /nfs/dbraw/zinc/61/64/85/988616485.db2.gz BWTUFHBTYOOPCZ-UHFFFAOYSA-N -1 0 381.457 3.223 20 30 GGEDRM CSc1nc(C2CC2)cc(C(=O)N2CCc3ccc(C(=O)[O-])cc32)c1C#N ZINC001599827702 988623419 /nfs/dbraw/zinc/62/34/19/988623419.db2.gz INZZRKFHFKWYHC-UHFFFAOYSA-N -1 0 379.441 3.454 20 30 GGEDRM CSc1nc(C2CC2)cc(C(=O)Nc2nc3c(cccc3C(=O)[O-])[nH]2)c1C#N ZINC001599828425 988633331 /nfs/dbraw/zinc/63/33/31/988633331.db2.gz VBZXDUAZSQBOJV-UHFFFAOYSA-N -1 0 393.428 3.379 20 30 GGEDRM CSc1nn(-c2ccccc2)c(NC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)c1C#N ZINC001599829938 988655417 /nfs/dbraw/zinc/65/54/17/988655417.db2.gz SKIGLZAVFNTEBP-QWHCGFSZSA-N -1 0 384.461 3.295 20 30 GGEDRM CSc1nn(-c2ccccc2)c(NC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)c1C#N ZINC001599829939 988655619 /nfs/dbraw/zinc/65/56/19/988655619.db2.gz SKIGLZAVFNTEBP-STQMWFEESA-N -1 0 384.461 3.295 20 30 GGEDRM C[C@@H](NC(=O)N1CCC(C#N)(C(=O)[O-])CC1)c1ccc(F)c(Br)c1 ZINC001599838362 988782316 /nfs/dbraw/zinc/78/23/16/988782316.db2.gz HMECCPKLECMOMJ-SNVBAGLBSA-N -1 0 398.232 3.049 20 30 GGEDRM CC(C)(C)OC(=O)N1CCC2(CCN2Cc2cccc(C(=O)[O-])c2C#N)CC1 ZINC001589993626 988906579 /nfs/dbraw/zinc/90/65/79/988906579.db2.gz CAHQRVAWGUSBNA-UHFFFAOYSA-N -1 0 385.464 3.232 20 30 GGEDRM CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H]1CCCN2Cc1cccc(C(=O)[O-])c1C#N ZINC001590003290 988930637 /nfs/dbraw/zinc/93/06/37/988930637.db2.gz CFWBALDZRYYYPH-MSOLQXFVSA-N -1 0 385.464 3.230 20 30 GGEDRM CC(C)(C)OC(=O)N1CC[C@@]2(CNc3ccc(C(=O)[O-])nc3C#N)CCC[C@@H]12 ZINC001590075282 989176524 /nfs/dbraw/zinc/17/65/24/989176524.db2.gz 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CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)Nc1cccc(F)c1C(=O)[O-] ZINC001590124589 989352564 /nfs/dbraw/zinc/35/25/64/989352564.db2.gz OWXUWKNAYQFFCM-AWEZNQCLSA-N -1 0 393.415 3.440 20 30 GGEDRM CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)Oc1ccc(C(=O)[O-])cc1 ZINC001590125139 989358027 /nfs/dbraw/zinc/35/80/27/989358027.db2.gz UGKZBKQVXVLGDC-HNNXBMFYSA-N -1 0 376.409 3.267 20 30 GGEDRM C[C@H]1CC[C@@](NC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)(C(=O)[O-])CC1 ZINC001590125383 989360897 /nfs/dbraw/zinc/36/08/97/989360897.db2.gz WQSJJLJGDSJWQZ-STXHMFSFSA-N -1 0 395.500 3.113 20 30 GGEDRM CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC001590125558 989362816 /nfs/dbraw/zinc/36/28/16/989362816.db2.gz YFCNMWWOQBFJHK-CQSZACIVSA-N -1 0 379.388 3.050 20 30 GGEDRM CC(C)(C)OC(=O)NC1(CC(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)CCC1 ZINC001590126915 989367495 /nfs/dbraw/zinc/36/74/95/989367495.db2.gz ABIKNRZGUCCBPM-INIZCTEOSA-N -1 0 388.420 3.065 20 30 GGEDRM C[C@@H]1C[C@H]1C(=O)Nc1ccc(F)cc1C(=O)OCc1cccc(C(=O)[O-])c1C#N ZINC001599880918 989482320 /nfs/dbraw/zinc/48/23/20/989482320.db2.gz IUIQMFXMPLVBKP-IAQYHMDHSA-N -1 0 396.374 3.347 20 30 GGEDRM CC(C)(C)OC(=O)NCc1ccc(C(N)=NOCc2ccc(C(=O)[O-])cc2)cc1 ZINC001590223545 989592931 /nfs/dbraw/zinc/59/29/31/989592931.db2.gz DJEWYHLDXHEWKD-UHFFFAOYSA-N -1 0 399.447 3.247 20 30 GGEDRM CCn1c(Cc2ccc(C#N)cc2C)nnc1N1CCC(CCC(=O)[O-])CC1 ZINC001597855743 989608901 /nfs/dbraw/zinc/60/89/01/989608901.db2.gz HULPWAMQYSTNNK-UHFFFAOYSA-N -1 0 381.480 3.150 20 30 GGEDRM CCn1c(N2CCC[C@H](C(C)(C)C(=O)[O-])C2)nnc1[C@]1(C#N)CC12CCCC2 ZINC001597858630 989620808 /nfs/dbraw/zinc/62/08/08/989620808.db2.gz GQVLEFVAKYQQHZ-YCRPNKLZSA-N -1 0 385.512 3.351 20 30 GGEDRM CC(C)(C)OC(=O)Nc1cccc(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)n1 ZINC001590314687 989742386 /nfs/dbraw/zinc/74/23/86/989742386.db2.gz IBSAPYIKBIUNRK-MRXNPFEDSA-N -1 0 397.387 3.283 20 30 GGEDRM CC(C)(C)OC(=O)[C@@H](Cc1ccccc1)N[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC001590328879 989764418 /nfs/dbraw/zinc/76/44/18/989764418.db2.gz LGDQKGIIPRXSMF-RTBURBONSA-N -1 0 380.444 3.227 20 30 GGEDRM CC(C)(C)OC(=O)[C@H](Cc1ccccc1)N[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC001590343344 989792614 /nfs/dbraw/zinc/79/26/14/989792614.db2.gz JRUIAXYQRWEPKR-RBUKOAKNSA-N -1 0 380.444 3.227 20 30 GGEDRM CC(C)(C)Oc1c(F)cc(NC(=O)N2CCC(C#N)(C(=O)[O-])CC2)cc1F ZINC001590409646 989948700 /nfs/dbraw/zinc/94/87/00/989948700.db2.gz YFQIVOCTDYLMDP-UHFFFAOYSA-N -1 0 381.379 3.364 20 30 GGEDRM CC(C)(C)Oc1cccc(CCC(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)n1 ZINC001590417142 989958993 /nfs/dbraw/zinc/95/89/93/989958993.db2.gz WBUUNXHQBYLLSX-IBGZPJMESA-N -1 0 382.416 3.432 20 30 GGEDRM CC(C)(C)c1cc(NC(=O)N2CC[C@@](F)(C(=O)[O-])C2)n(-c2ccc(C#N)cc2)n1 ZINC001590462491 990034854 /nfs/dbraw/zinc/03/48/54/990034854.db2.gz WKQWLDDZXDAQRW-FQEVSTJZSA-N -1 0 399.426 3.072 20 30 GGEDRM CC(C)(C)c1ccc([C@H]2NC(=S)NC(C(=O)[O-])=C2C(=O)c2cccnc2)cc1 ZINC001590480709 990069899 /nfs/dbraw/zinc/06/98/99/990069899.db2.gz YUIHTDXUWQKZKJ-MRXNPFEDSA-N -1 0 395.484 3.120 20 30 GGEDRM CC(C)(C)c1ccc([C@H](CC(=O)[O-])NC(=O)C#Cc2ccc3c(c2)OCO3)cc1 ZINC001590481730 990075907 /nfs/dbraw/zinc/07/59/07/990075907.db2.gz QPIFEQNNQYUJDP-SFHVURJKSA-N -1 0 393.439 3.397 20 30 GGEDRM CC(C)(C)c1ccc([C@@H](CC(=O)[O-])NC(=O)C#Cc2ccc3c(c2)OCO3)cc1 ZINC001590481729 990075935 /nfs/dbraw/zinc/07/59/35/990075935.db2.gz QPIFEQNNQYUJDP-GOSISDBHSA-N -1 0 393.439 3.397 20 30 GGEDRM CC(C)(C)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(C#N)cc1C(=O)[O-] ZINC001590500716 990115608 /nfs/dbraw/zinc/11/56/08/990115608.db2.gz MGNFYSZCOGIZQS-UHFFFAOYSA-N -1 0 384.457 3.305 20 30 GGEDRM CN(C(=O)CC1(C#N)CCOCC1)[C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001598007663 990167847 /nfs/dbraw/zinc/16/78/47/990167847.db2.gz LQPGFUFBRKLTBH-HNNXBMFYSA-N -1 0 385.247 3.288 20 30 GGEDRM CC(C)(C)n1cc(C#N)cc1NC(=O)N1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC001590587199 990234346 /nfs/dbraw/zinc/23/43/46/990234346.db2.gz KJZWKCKSCYXETC-IAGOWNOFSA-N -1 0 380.448 3.447 20 30 GGEDRM CN(C(=O)CON=C(c1ccccc1)C(F)(F)F)c1ccccc1C(=O)[O-] ZINC001598031506 990250573 /nfs/dbraw/zinc/25/05/73/990250573.db2.gz KZIIXBPLMVZVCT-UHFFFAOYSA-N -1 0 380.322 3.331 20 30 GGEDRM CN(C(=O)Cc1ccc(Br)cc1C#N)C1(C(=O)[O-])CCCCC1 ZINC001598034851 990261532 /nfs/dbraw/zinc/26/15/32/990261532.db2.gz XCEWERKPZBVWOZ-UHFFFAOYSA-N -1 0 379.254 3.109 20 30 GGEDRM CN(C(=O)Nc1cc(C(=O)[O-])c(F)cc1Br)[C@H]1CCC[C@@H]1C#N ZINC001598056591 990317370 /nfs/dbraw/zinc/31/73/70/990317370.db2.gz PVYMFRDXFSBTGX-OQPBUACISA-N -1 0 384.205 3.442 20 30 GGEDRM CN(C(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)(F)F)[C@@H]1CCC[C@H]1C#N ZINC001598057267 990324379 /nfs/dbraw/zinc/32/43/79/990324379.db2.gz USUVHKAERDAHKH-WCQYABFASA-N -1 0 385.342 3.482 20 30 GGEDRM CC(C)(CCC#N)CNC(=O)N1CCC(Cc2ncc(C(=O)[O-])s2)CC1 ZINC001590654597 990348147 /nfs/dbraw/zinc/34/81/47/990348147.db2.gz RDHTVCYGQLZUJB-UHFFFAOYSA-N -1 0 378.498 3.135 20 30 GGEDRM CN(C(=O)c1cc(C#N)cs1)[C@H](C(=O)[O-])c1ccc(Br)s1 ZINC001598072878 990372783 /nfs/dbraw/zinc/37/27/83/990372783.db2.gz GEKQDKUTQWHHFU-NSHDSACASA-N -1 0 385.264 3.342 20 30 GGEDRM CN(C(=O)c1cc(Br)cc(C(=O)[O-])c1)c1ccc(C#N)cc1F ZINC001598073723 990379509 /nfs/dbraw/zinc/37/95/09/990379509.db2.gz SFZSELCPYIPTKF-UHFFFAOYSA-N -1 0 377.169 3.435 20 30 GGEDRM CN(C(=O)c1cccc(CC#N)c1)[C@@H](C(=O)[O-])c1cccc(Br)c1 ZINC001598088912 990429445 /nfs/dbraw/zinc/42/94/45/990429445.db2.gz ISKVXAUDNQVXDT-MRXNPFEDSA-N -1 0 387.233 3.413 20 30 GGEDRM CC(C)(CS(=O)(=O)Oc1ccccc1Oc1ccc(C#N)cc1F)C(=O)[O-] ZINC001590812550 990647599 /nfs/dbraw/zinc/64/75/99/990647599.db2.gz ZWTMTTPTYJLABQ-UHFFFAOYSA-N -1 0 393.392 3.309 20 30 GGEDRM CC(C)(Cc1ccc(C#N)cc1)NS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1 ZINC001590822057 990662410 /nfs/dbraw/zinc/66/24/10/990662410.db2.gz RJNPADUFYTVPAY-UHFFFAOYSA-N -1 0 392.864 3.209 20 30 GGEDRM CC(C)(NC(=O)N[C@H]1CCSC2(CC(C(=O)[O-])C2)C1)c1cccc(C#N)c1 ZINC001590848519 990721637 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3.199 20 30 GGEDRM CN(C)c1cc(C#N)cc(C(=O)N[C@@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)c1 ZINC001598287914 991192204 /nfs/dbraw/zinc/19/22/04/991192204.db2.gz MVCDUARDRXBKLB-MRXNPFEDSA-N -1 0 391.349 3.199 20 30 GGEDRM COc1ccccc1[C@@H](NC(=O)N1CCC(C#N)(C(=O)[O-])CC1)c1ccccc1 ZINC001599700619 991212943 /nfs/dbraw/zinc/21/29/43/991212943.db2.gz XBYBJXAPOSXKOU-IBGZPJMESA-N -1 0 393.443 3.185 20 30 GGEDRM CC(C)[C@H](Oc1ccccc1C#N)C(=O)OCC(=O)c1ccc(C(=O)[O-])cc1 ZINC001591051625 991451690 /nfs/dbraw/zinc/45/16/90/991451690.db2.gz FDUPIIXQHOOUTD-IBGZPJMESA-N -1 0 381.384 3.086 20 30 GGEDRM CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC001591051684 991452533 /nfs/dbraw/zinc/45/25/33/991452533.db2.gz GKFGHWKDTUNQQR-FQEVSTJZSA-N -1 0 382.416 3.454 20 30 GGEDRM CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1C[C@@H](C(=O)[O-])Cc2ccccc21 ZINC001591051877 991454242 /nfs/dbraw/zinc/45/42/42/991454242.db2.gz JLMKLXISAFHYLJ-PXNSSMCTSA-N -1 0 378.428 3.252 20 30 GGEDRM CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1C[C@H](C(F)(F)F)C[C@H](C(=O)[O-])C1 ZINC001591051988 991455524 /nfs/dbraw/zinc/45/55/24/991455524.db2.gz LGWHZYTVNKSSHG-LZWOXQAQSA-N -1 0 398.381 3.073 20 30 GGEDRM COc1c[nH]nc1NC(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC001599723094 991573328 /nfs/dbraw/zinc/57/33/28/991573328.db2.gz CUKVDIHGLAKKHE-UHFFFAOYSA-N -1 0 376.372 3.160 20 30 GGEDRM CC(C)[C@H]1CCc2ccccc2[C@H]1NS(=O)(=O)c1ccc(C#N)cc1C(=O)[O-] ZINC001591094650 991675464 /nfs/dbraw/zinc/67/54/64/991675464.db2.gz OPGBCIZDXUTTMA-UZLBHIALSA-N -1 0 398.484 3.494 20 30 GGEDRM CN(CC(=O)Nc1sc2c(c1C(=O)[O-])CCCC2)Cc1cc(C#N)cs1 ZINC001598403728 991699610 /nfs/dbraw/zinc/69/96/10/991699610.db2.gz FKCRJIOAGBISQQ-UHFFFAOYSA-N -1 0 389.502 3.329 20 30 GGEDRM CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001598435867 991821803 /nfs/dbraw/zinc/82/18/03/991821803.db2.gz ADFFWNTUMGYACA-OAHLLOKOSA-N -1 0 391.786 3.246 20 30 GGEDRM CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC001598436219 991827381 /nfs/dbraw/zinc/82/73/81/991827381.db2.gz DKPVDGQBKPRRNH-GOSISDBHSA-N -1 0 381.432 3.118 20 30 GGEDRM CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)Nc1cc(C(=O)[O-])cc2cccnc21 ZINC001598436821 991833974 /nfs/dbraw/zinc/83/39/74/991833974.db2.gz JZJWIRGPANOHDT-GOSISDBHSA-N -1 0 390.399 3.002 20 30 GGEDRM CN(C[C@@H](O)c1ccc(C#N)cc1)[C@@H](C(=O)[O-])c1ccc(Br)s1 ZINC001598436957 991835749 /nfs/dbraw/zinc/83/57/49/991835749.db2.gz LIBWABFXUCWCCX-IUODEOHRSA-N -1 0 395.278 3.173 20 30 GGEDRM CN(C[C@H](O)c1ccc(C#N)cc1)[C@H](C(=O)[O-])c1ccc(Br)s1 ZINC001598436961 991837087 /nfs/dbraw/zinc/83/70/87/991837087.db2.gz LIBWABFXUCWCCX-WFASDCNBSA-N -1 0 395.278 3.173 20 30 GGEDRM CN(C[C@H](O)c1ccc(C#N)cc1)[C@@H](C(=O)[O-])c1ccc(Br)s1 ZINC001598436959 991837391 /nfs/dbraw/zinc/83/73/91/991837391.db2.gz LIBWABFXUCWCCX-SWLSCSKDSA-N -1 0 395.278 3.173 20 30 GGEDRM CC(C)CN(C(=O)COc1cccc(Br)c1C#N)C(C)(C)C(=O)[O-] ZINC001591280395 992209397 /nfs/dbraw/zinc/20/93/97/992209397.db2.gz 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CN(Cc1ccc(C(=O)[O-])cn1)C(=O)c1cn(CCCC#N)c2ccccc12 ZINC001598515431 992611636 /nfs/dbraw/zinc/61/16/36/992611636.db2.gz IQGFLDQERISWQW-UHFFFAOYSA-N -1 0 376.416 3.310 20 30 GGEDRM CC(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001591506350 992652760 /nfs/dbraw/zinc/65/27/60/992652760.db2.gz PYAGQKIETSAAJS-ZWKOTPCHSA-N -1 0 379.464 3.020 20 30 GGEDRM CC(C)Cn1c(CC(C)(C)C#N)nnc1N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC001591514378 992675061 /nfs/dbraw/zinc/67/50/61/992675061.db2.gz VKXQQGPAFCLXBJ-OAHLLOKOSA-N -1 0 375.517 3.354 20 30 GGEDRM CC(C)Cn1c(CCCCC#N)nnc1N1CCc2cccc(C(=O)[O-])c2C1 ZINC001591514444 992675806 /nfs/dbraw/zinc/67/58/06/992675806.db2.gz WMHXVSCGCBLYND-UHFFFAOYSA-N -1 0 381.480 3.431 20 30 GGEDRM CN(Cc1ccc(OCC(=O)[O-])cc1)C(=O)NCc1ccc(C#N)c(Cl)c1 ZINC001598523002 992682266 /nfs/dbraw/zinc/68/22/66/992682266.db2.gz IKVXGYGLLJWAQW-UHFFFAOYSA-N -1 0 387.823 3.017 20 30 GGEDRM CN(Cc1ccc(OCC(=O)[O-])cc1)c1ccc(Br)cc1C#N ZINC001598524217 992698549 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COc1cccc([C@](C)(CC(=O)[O-])NC(=O)CSc2ccc(C#N)cc2)c1 ZINC001599652256 994523096 /nfs/dbraw/zinc/52/30/96/994523096.db2.gz JMECMDQXYDCUJK-FQEVSTJZSA-N -1 0 384.457 3.165 20 30 GGEDRM COc1cccc([C@](C)(CC(=O)[O-])NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)c1 ZINC001599652614 994528277 /nfs/dbraw/zinc/52/82/77/994528277.db2.gz BCEQSOQRQJACCP-JQVVWYNYSA-N -1 0 378.428 3.177 20 30 GGEDRM C[C@](NS(=O)(=O)c1c(C#N)sc2ccccc21)(C(=O)[O-])c1ccccc1 ZINC001593326432 994877844 /nfs/dbraw/zinc/87/78/44/994877844.db2.gz VATYKRUDOPNQIL-GOSISDBHSA-N -1 0 386.454 3.051 20 30 GGEDRM C[C@H](NS(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC001593326690 994880567 /nfs/dbraw/zinc/88/05/67/994880567.db2.gz XXWXSAOPCCWXMF-FASAQXTFSA-N -1 0 384.457 3.069 20 30 GGEDRM C[C@@H](NS(=O)(=O)c1ccc(C(=O)[O-])c2ccccc21)c1ccc(C#N)cc1 ZINC001593334332 994911254 /nfs/dbraw/zinc/91/12/54/994911254.db2.gz OSHBCWUWWCTMOW-CYBMUJFWSA-N -1 0 380.425 3.449 20 30 GGEDRM COC(=O)[C@@H](CNc1ccc(C(=O)[O-])nc1C#N)Cc1ccc2ccccc2c1 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Cc1cccc([C@H](CC(=O)[O-])NS(=O)(=O)c2ccc(C#N)cc2Cl)c1 ZINC000614320999 567104007 /nfs/dbraw/zinc/10/40/07/567104007.db2.gz RUUZUFPADIONGL-HNNXBMFYSA-N -1 0 378.837 3.014 20 30 GGEDRM Cc1nc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)sc1SCC#N ZINC000522438332 567117507 /nfs/dbraw/zinc/11/75/07/567117507.db2.gz QKKFLVIAUVFHIM-UHFFFAOYSA-N -1 0 384.464 3.085 20 30 GGEDRM COc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(C)ccc1Br ZINC000498028462 567144961 /nfs/dbraw/zinc/14/49/61/567144961.db2.gz YVJHPMRQTYDHGY-UHFFFAOYSA-N -1 0 381.251 3.439 20 30 GGEDRM C=CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2OC)cc1 ZINC000614866221 567145289 /nfs/dbraw/zinc/14/52/89/567145289.db2.gz SYORXTFACRRTQF-UHFFFAOYSA-N -1 0 380.853 3.065 20 30 GGEDRM COC(=O)c1nc([N-]S(=O)(=O)c2cccc(Cl)c2C#N)sc1C1CC1 ZINC000432363146 567153396 /nfs/dbraw/zinc/15/33/96/567153396.db2.gz SPVOCQGEGPIEDQ-UHFFFAOYSA-N -1 0 397.865 3.133 20 30 GGEDRM COc1cc(Br)cc(S(=O)(=O)[N-]c2cccc(C)c2C#N)c1 ZINC000546877960 567168396 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GGEDRM CC(C)(C)c1ncc([N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)cn1 ZINC000432762748 567187386 /nfs/dbraw/zinc/18/73/86/567187386.db2.gz JRMSVEYHTCRQID-UHFFFAOYSA-N -1 0 395.282 3.209 20 30 GGEDRM N#Cc1cc(Br)cc(S(=O)(=O)[N-]c2cc3c(cn2)CCCC3)c1 ZINC000566770596 567189273 /nfs/dbraw/zinc/18/92/73/567189273.db2.gz SGEZCGCCMQILDO-UHFFFAOYSA-N -1 0 392.278 3.395 20 30 GGEDRM CCc1ccc(O)c([N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)c1 ZINC000432775983 567189324 /nfs/dbraw/zinc/18/93/24/567189324.db2.gz LCEVSIHIWYRHQL-UHFFFAOYSA-N -1 0 381.251 3.390 20 30 GGEDRM C[C@@H](C1CC1)n1cc([N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)cn1 ZINC000432775625 567189376 /nfs/dbraw/zinc/18/93/76/567189376.db2.gz VOZZPKMDGAHDTH-JTQLQIEISA-N -1 0 395.282 3.289 20 30 GGEDRM COc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)c(OC)c1 ZINC000432778149 567190897 /nfs/dbraw/zinc/19/08/97/567190897.db2.gz XIFRAPOGAINIPB-UHFFFAOYSA-N -1 0 397.250 3.139 20 30 GGEDRM N#C[C@H](NC(=O)c1nn(-c2ccccc2)cc1[O-])c1ccccc1Br ZINC000589838414 567195717 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ZINC000736108883 599822275 /nfs/dbraw/zinc/82/22/75/599822275.db2.gz SWGNDPOAVQSJRX-CQSZACIVSA-N -1 0 387.249 3.395 20 30 GGEDRM N#Cc1c(F)cccc1N1CCN(C(=O)Nc2ccc(CCC(=O)[O-])cc2)CC1 ZINC000739092529 599823880 /nfs/dbraw/zinc/82/38/80/599823880.db2.gz FQSDMVOSZAGVOD-UHFFFAOYSA-N -1 0 396.422 3.069 20 30 GGEDRM CN(C(=O)[O-])c1ccc(NC(=O)CCC(=O)N(CCC#N)c2ccccc2)cc1 ZINC000737332987 599827189 /nfs/dbraw/zinc/82/71/89/599827189.db2.gz SKVJJXVOIAREOY-UHFFFAOYSA-N -1 0 394.431 3.466 20 30 GGEDRM Cc1cc(C)cc(N(CCC#N)C(=O)COC(=O)c2ccccc2C(=O)[O-])c1 ZINC000738364104 599828912 /nfs/dbraw/zinc/82/89/12/599828912.db2.gz NVCMCSRZBOXHAK-UHFFFAOYSA-N -1 0 380.400 3.105 20 30 GGEDRM COc1cc(/C=C\C(=O)[O-])ccc1OC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1 ZINC000737872441 599838862 /nfs/dbraw/zinc/83/88/62/599838862.db2.gz PKEOBXPCLNKKFB-VTSXBNNFSA-N -1 0 392.411 3.239 20 30 GGEDRM C[C@@](NC(=O)/C=C/c1ccccc1C#N)(C(=O)[O-])c1cccc(Br)c1 ZINC000736631726 599839002 /nfs/dbraw/zinc/83/90/02/599839002.db2.gz PZDHCTNDWFKVKC-YXBWYFRISA-N -1 0 399.244 3.450 20 30 GGEDRM CC(=O)C1=C(C(=O)[O-])N(Cc2ccccc2)C(=O)N[C@@H]1c1ccc(F)c(C)c1 ZINC000736124941 599849272 /nfs/dbraw/zinc/84/92/72/599849272.db2.gz CSKBVBZPNDICDW-GOSISDBHSA-N -1 0 382.391 3.328 20 30 GGEDRM N#Cc1cnn(-c2ccc(C(=O)Nc3cc4ccccc4cc3C(=O)[O-])cc2)c1N ZINC000739145542 599849720 /nfs/dbraw/zinc/84/97/20/599849720.db2.gz PGUWHXSPLZGACE-UHFFFAOYSA-N -1 0 397.394 3.430 20 30 GGEDRM CC(=O)C1=C(C(=O)[O-])N(Cc2cccs2)C(=O)N[C@H]1c1ccc(F)c(C)c1 ZINC000736124352 599851057 /nfs/dbraw/zinc/85/10/57/599851057.db2.gz APOXBELORPGGDF-INIZCTEOSA-N -1 0 388.420 3.390 20 30 GGEDRM C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@H](C(=O)[O-])c1ccccc1 ZINC000736544739 599855783 /nfs/dbraw/zinc/85/57/83/599855783.db2.gz KMSDXMIUDVKWCN-KUHUBIRLSA-N -1 0 383.473 3.435 20 30 GGEDRM C[C@@H](CC#N)Sc1ccccc1NC(=O)CN[C@@H](C(=O)[O-])c1ccccc1 ZINC000736544738 599855978 /nfs/dbraw/zinc/85/59/78/599855978.db2.gz KMSDXMIUDVKWCN-IFXJQAMLSA-N -1 0 383.473 3.435 20 30 GGEDRM N#Cc1ccc(OCc2ccc(C(=O)N[C@H](Cc3ccccc3)C(=O)[O-])o2)cc1 ZINC000738431240 599862251 /nfs/dbraw/zinc/86/22/51/599862251.db2.gz SLNSNAZTORFYIJ-LJQANCHMSA-N -1 0 390.395 3.156 20 30 GGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)c1csc(-c2cnccn2)n1 ZINC000736114377 599865603 /nfs/dbraw/zinc/86/56/03/599865603.db2.gz JWYSAQKRPYUXQQ-UHFFFAOYSA-N -1 0 397.412 3.255 20 30 GGEDRM C[C@@H](OC(=O)c1ccccc1NC(=O)[O-])C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000736761994 599867863 /nfs/dbraw/zinc/86/78/63/599867863.db2.gz JNZCZGPLRDAMBQ-LQZXRHCMSA-N -1 0 387.436 3.253 20 30 GGEDRM C[C@@H](OC(=O)c1ccccc1NC(=O)[O-])C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000736695572 599869529 /nfs/dbraw/zinc/86/95/29/599869529.db2.gz CYXSUTBORCZRPC-SNVBAGLBSA-N -1 0 399.428 3.382 20 30 GGEDRM C[C@H](OC(=O)CCCN(C)C(=O)[O-])C(=O)/C=C1/N(C)c2ccccc2C1(C)C ZINC000736684315 599873196 /nfs/dbraw/zinc/87/31/96/599873196.db2.gz MMIRBMMQXUHMAP-RAOBZKRQSA-N -1 0 388.464 3.189 20 30 GGEDRM N#CCCn1ncc2c1ncnc2NCc1c2ccccc2sc1C(=O)[O-] ZINC000739075398 599874850 /nfs/dbraw/zinc/87/48/50/599874850.db2.gz FEGGXUADGSDCGX-UHFFFAOYSA-N -1 0 378.417 3.265 20 30 GGEDRM C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1ccccc1C(=O)[O-] ZINC000736204100 599876154 /nfs/dbraw/zinc/87/61/54/599876154.db2.gz XYTORQUDMIUCNE-CYBMUJFWSA-N -1 0 398.440 3.432 20 30 GGEDRM CCOc1ccc(C[C@@H](CNC(=O)Nc2ccc(F)c(C#N)c2)C(=O)[O-])cc1 ZINC000737200291 599887368 /nfs/dbraw/zinc/88/73/68/599887368.db2.gz QEBDMMWHBNDRRT-HNNXBMFYSA-N -1 0 385.395 3.161 20 30 GGEDRM N#Cc1cc(NC(=O)N2CCc3[nH]c4ccc(C(=O)[O-])cc4c3C2)ccc1F ZINC000739099310 599887698 /nfs/dbraw/zinc/88/76/98/599887698.db2.gz UEJIGXUKMICICU-UHFFFAOYSA-N -1 0 378.363 3.467 20 30 GGEDRM Cc1nn(CCC(=O)[O-])c(C)c1C=NNc1ccc(Br)cc1F ZINC000738922916 599890650 /nfs/dbraw/zinc/89/06/50/599890650.db2.gz NTZKMYLQROYPTH-UHFFFAOYSA-N -1 0 383.221 3.322 20 30 GGEDRM N#Cc1cc(F)ccc1CSc1nc2ccccc2c(=O)n1CCC(=O)[O-] ZINC000739099249 599891528 /nfs/dbraw/zinc/89/15/28/599891528.db2.gz RHYJTUMWAXWWTR-UHFFFAOYSA-N -1 0 383.404 3.174 20 30 GGEDRM N#Cc1ccc(CNC(=O)N2CCc3[nH]c4ccc(C(=O)[O-])cc4c3C2)c(F)c1 ZINC000739118248 599906066 /nfs/dbraw/zinc/90/60/66/599906066.db2.gz PVXZUZGVOAYSTF-UHFFFAOYSA-N -1 0 392.390 3.145 20 30 GGEDRM CCOc1ccc(C#N)cc1NC(=O)c1ccc(OCC(=O)[O-])c(OCC)c1 ZINC000737195098 599909474 /nfs/dbraw/zinc/90/94/74/599909474.db2.gz VAQKHLNGQUNTMP-UHFFFAOYSA-N -1 0 384.388 3.071 20 30 GGEDRM C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1C(=O)CSc1ccc(C#N)cc1 ZINC000736826941 599911195 /nfs/dbraw/zinc/91/11/95/599911195.db2.gz XUAMQZUACPTTBC-OAHLLOKOSA-N -1 0 395.484 3.086 20 30 GGEDRM COc1ccc(/C=C2\CN(CC(=O)[O-])C/C(=C\c3ccc(OC)cc3)C2=O)cc1 ZINC000737987717 599926245 /nfs/dbraw/zinc/92/62/45/599926245.db2.gz YVSYNFUJGICQQT-GDAWTGGTSA-N -1 0 393.439 3.140 20 30 GGEDRM C=CCc1cc([N+](=O)[O-])ccc1OS(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000736114137 599931074 /nfs/dbraw/zinc/93/10/74/599931074.db2.gz HUXPJLOQSFKORF-UHFFFAOYSA-N -1 0 377.374 3.098 20 30 GGEDRM CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC[C@@H](Cc1cccc(F)c1)C(=O)[O-] ZINC000736389334 599942308 /nfs/dbraw/zinc/94/23/08/599942308.db2.gz AQALCYOBZJZQRB-XLIONFOSSA-N -1 0 398.434 3.160 20 30 GGEDRM N#Cc1ccc(OC(F)F)c(NC(=O)NCCOc2ccc(C(=O)[O-])cc2)c1 ZINC000739121453 599957073 /nfs/dbraw/zinc/95/70/73/599957073.db2.gz QHFIJCADBDVAMQ-UHFFFAOYSA-N -1 0 391.330 3.058 20 30 GGEDRM C[C@@H](CC#N)Sc1ccccc1NS(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC000736544726 599974272 /nfs/dbraw/zinc/97/42/72/599974272.db2.gz KECCXRQAARUZIG-NSHDSACASA-N -1 0 392.458 3.285 20 30 GGEDRM C=CCN1C(=O)N[C@H](c2csc(-c3ccc4c(c3)OCO4)n2)C(C(=O)[O-])=C1C ZINC000736107192 599983562 /nfs/dbraw/zinc/98/35/62/599983562.db2.gz SVAKDZBXYOKGRH-MRXNPFEDSA-N -1 0 399.428 3.150 20 30 GGEDRM CCCCCCC[C@]1(C)NC(=O)N(NC(=O)c2cccc(NC(=O)[O-])c2)C1=O ZINC000736984390 599988361 /nfs/dbraw/zinc/98/83/61/599988361.db2.gz ZIMIKCFYCDYNKY-IBGZPJMESA-N -1 0 390.440 3.092 20 30 GGEDRM O=C([O-])C(=O)C1=C(c2ccc(Cl)cc2)NC(=S)N[C@H]1c1ccc(F)cc1 ZINC000738516200 599992207 /nfs/dbraw/zinc/99/22/07/599992207.db2.gz DIOXZEPQEVSFDU-HNNXBMFYSA-N -1 0 390.823 3.063 20 30 GGEDRM O=C([O-])C(=O)C1=C(c2ccccc2)NC(=S)N[C@@H]1c1c(F)cccc1Cl ZINC000738516136 599992220 /nfs/dbraw/zinc/99/22/20/599992220.db2.gz ARDAYUYAFJNWHZ-OAHLLOKOSA-N -1 0 390.823 3.063 20 30 GGEDRM O=C([O-])C(=O)C1=C(c2ccc(Cl)cc2)NC(=S)N[C@@H]1c1ccccc1F ZINC000738518580 599992229 /nfs/dbraw/zinc/99/22/29/599992229.db2.gz YTYJRZNDFZSRFN-OAHLLOKOSA-N -1 0 390.823 3.063 20 30 GGEDRM Cc1ccc([C@@H]2NC(=S)NC(c3ccccc3Cl)=C2C(=O)C(=O)[O-])cc1 ZINC000738582344 599992340 /nfs/dbraw/zinc/99/23/40/599992340.db2.gz HWFKRQAGDFRWCX-HNNXBMFYSA-N -1 0 386.860 3.232 20 30 GGEDRM Cc1ccc([C@H]2NC(=S)NC(c3ccccc3Cl)=C2C(=O)C(=O)[O-])s1 ZINC000738583931 599992421 /nfs/dbraw/zinc/99/24/21/599992421.db2.gz SRZYJKLYQPIUND-CQSZACIVSA-N -1 0 392.889 3.294 20 30 GGEDRM O=C([O-])C(=O)C1=C(c2cccs2)NC(=S)N[C@H]1c1c(F)cccc1Cl ZINC000739499012 599992790 /nfs/dbraw/zinc/99/27/90/599992790.db2.gz PSUGUVIFHSHPKG-ZDUSSCGKSA-N -1 0 396.852 3.124 20 30 GGEDRM O=C([O-])C(=O)C1=C(c2ccc(F)cc2)NC(=S)N[C@H]1c1cccc(Cl)c1 ZINC000739499437 599993589 /nfs/dbraw/zinc/99/35/89/599993589.db2.gz QTCQNUPSEZVQJM-HNNXBMFYSA-N -1 0 390.823 3.063 20 30 GGEDRM O=C([O-])C(=O)C1=C(c2ccc(F)cc2)NC(=S)N[C@@H]1c1cccc(Cl)c1 ZINC000739499438 599993601 /nfs/dbraw/zinc/99/36/01/599993601.db2.gz QTCQNUPSEZVQJM-OAHLLOKOSA-N -1 0 390.823 3.063 20 30 GGEDRM O=C([O-])C(=O)C1=C(c2ccccc2F)NC(=S)N[C@H]1c1ccccc1Cl ZINC000739498297 599993669 /nfs/dbraw/zinc/99/36/69/599993669.db2.gz JTFALIQAZGJMIP-AWEZNQCLSA-N -1 0 390.823 3.063 20 30 GGEDRM Cc1nn(-c2ccccc2)c(COC(=O)c2cccc(NC(=O)[O-])c2)c1C#N ZINC000738903741 599998965 /nfs/dbraw/zinc/99/89/65/599998965.db2.gz ZQEAHXFQWCDSMC-UHFFFAOYSA-N -1 0 376.372 3.499 20 30 GGEDRM Cc1nn(CCC(=O)[O-])c(C)c1C=NNC(=S)Nc1ccc(C(C)C)cc1 ZINC000738922521 600003867 /nfs/dbraw/zinc/00/38/67/600003867.db2.gz KAXKPCPEYCWXPD-UHFFFAOYSA-N -1 0 387.509 3.419 20 30 GGEDRM Cc1nn(CCC(=O)[O-])c(C)c1CN=Nc1ncc(C(F)(F)F)cc1Cl ZINC000738922822 600003997 /nfs/dbraw/zinc/00/39/97/600003997.db2.gz MJXONEYPCGLCSS-UHFFFAOYSA-N -1 0 389.765 3.488 20 30 GGEDRM Cc1nn(CCC(=O)[O-])c(C)c1CN=Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000738922445 600004131 /nfs/dbraw/zinc/00/41/31/600004131.db2.gz IIOSERDLOMYHTM-UHFFFAOYSA-N -1 0 399.329 3.348 20 30 GGEDRM COC(=O)c1cc(NC(=O)[C@H](C)Sc2ccc(C#N)cc2)cc(C(=O)[O-])c1 ZINC000737660414 600005721 /nfs/dbraw/zinc/00/57/21/600005721.db2.gz NGEBVHPQIRPRKY-NSHDSACASA-N -1 0 384.413 3.162 20 30 GGEDRM CC(=O)C1=C(C(=O)[O-])N(Cc2cccs2)C(=O)N[C@@H]1c1ccc(C)c(F)c1 ZINC000736126561 600016818 /nfs/dbraw/zinc/01/68/18/600016818.db2.gz OUNCRBWDHZCXPJ-MRXNPFEDSA-N -1 0 388.420 3.390 20 30 GGEDRM Cc1ccc(C(=O)C2=C(C(=O)[O-])NC(=S)N[C@H]2c2ccc(C)c(F)c2)cc1 ZINC000738504282 600017848 /nfs/dbraw/zinc/01/78/48/600017848.db2.gz WKGQKANUBUIGAI-INIZCTEOSA-N -1 0 384.432 3.183 20 30 GGEDRM N#CCOc1ccc(CNC(=O)Nc2cccc(CSCC(=O)[O-])c2)cc1 ZINC000739087360 600020127 /nfs/dbraw/zinc/02/01/27/600020127.db2.gz HYEDOOBDTJBERF-UHFFFAOYSA-N -1 0 385.445 3.228 20 30 GGEDRM Cc1oc(C(=O)[O-])cc1Cn1cc(C#N)c(=O)c2cc(Br)ccc21 ZINC000738966555 600027002 /nfs/dbraw/zinc/02/70/02/600027002.db2.gz XAGCGOKODSUWTD-UHFFFAOYSA-N -1 0 387.189 3.284 20 30 GGEDRM CCOc1ccc(OCC)c(NC(=S)NN=Cc2ccoc2C(=O)[O-])c1 ZINC000737203219 600055984 /nfs/dbraw/zinc/05/59/84/600055984.db2.gz KRJCFEQRZWXWAL-UHFFFAOYSA-N -1 0 377.422 3.096 20 30 GGEDRM Cc1oc(-n2cccc2)c(C#N)c1C(=O)NC[C@H](Cc1cccc(C)c1)C(=O)[O-] ZINC000738709029 600063125 /nfs/dbraw/zinc/06/31/25/600063125.db2.gz UAMFFCNDDVLTIC-KRWDZBQOSA-N -1 0 391.427 3.232 20 30 GGEDRM C#Cc1ccc(C(=O)N(Cc2ccoc2C(=O)[O-])[C@@H](C)c2ccccn2)cn1 ZINC000736093705 600063248 /nfs/dbraw/zinc/06/32/48/600063248.db2.gz YSPLPGHBUXCOMR-AWEZNQCLSA-N -1 0 375.384 3.153 20 30 GGEDRM Cc1cccc(C[C@@H](CNC(=O)c2cc3ccccc3n2CC#N)C(=O)[O-])c1 ZINC000738711559 600066337 /nfs/dbraw/zinc/06/63/37/600066337.db2.gz KVKJUNAONOSLLI-SFHVURJKSA-N -1 0 375.428 3.147 20 30 GGEDRM Cc1cccc(C[C@H](CNC(=O)[C@@H](Oc2ccccc2C#N)C(C)C)C(=O)[O-])c1 ZINC000738698288 600068684 /nfs/dbraw/zinc/06/86/84/600068684.db2.gz KSMJZEYBMKUVMC-CTNGQTDRSA-N -1 0 394.471 3.330 20 30 GGEDRM N#C[C@@H](NC(=O)c1ccc(OCC(=O)[O-])cc1)c1ccc(Cl)c(Cl)c1 ZINC000739074320 600072645 /nfs/dbraw/zinc/07/26/45/600072645.db2.gz HWYVAWOGYKJGJZ-OAHLLOKOSA-N -1 0 379.199 3.451 20 30 GGEDRM N#C[C@H](NC(=O)c1cccc(OCC(=O)[O-])c1)c1cccc(C(F)(F)F)c1 ZINC000739074975 600072713 /nfs/dbraw/zinc/07/27/13/600072713.db2.gz OOOMOTQJYUXMJL-HNNXBMFYSA-N -1 0 378.306 3.163 20 30 GGEDRM CC(C)c1ccc(NC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)c(C(=O)[O-])c1 ZINC000736516023 600074025 /nfs/dbraw/zinc/07/40/25/600074025.db2.gz YXZINRXHYSSMLC-UHFFFAOYSA-N -1 0 389.415 3.400 20 30 GGEDRM O=C([O-])c1cc(F)ccc1CON=CC(=O)Nc1ccccc1Br ZINC000739217334 600081033 /nfs/dbraw/zinc/08/10/33/600081033.db2.gz YAEFZHCLNLFPEA-UHFFFAOYSA-N -1 0 395.184 3.428 20 30 GGEDRM CCN(Cc1nc2cc(C(=O)[O-])ccc2c(=O)[nH]1)[C@@H](C)c1ccc(C#N)cc1 ZINC000737107778 600085966 /nfs/dbraw/zinc/08/59/66/600085966.db2.gz JVTUSVXTSANRSF-ZDUSSCGKSA-N -1 0 376.416 3.488 20 30 GGEDRM Cc1cc(C)cc(N(CCC#N)C(=O)CN2Cc3ccc(C(=O)[O-])cc3C2)c1 ZINC000738363295 600087945 /nfs/dbraw/zinc/08/79/45/600087945.db2.gz DMFUITREYDCPIH-UHFFFAOYSA-N -1 0 377.444 3.264 20 30 GGEDRM C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000736218855 600089426 /nfs/dbraw/zinc/08/94/26/600089426.db2.gz DCFLJEIFHZYCBC-NSHDSACASA-N -1 0 381.457 3.149 20 30 GGEDRM CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000737217121 600099126 /nfs/dbraw/zinc/09/91/26/600099126.db2.gz CBNWNRLAAHSLDK-MRXNPFEDSA-N -1 0 380.400 3.064 20 30 GGEDRM Cc1[nH]c(C(=O)[C@H](C)N2CCC(Oc3ccc(C#N)cc3)CC2)c(C)c1C(=O)[O-] ZINC000738237072 600103984 /nfs/dbraw/zinc/10/39/84/600103984.db2.gz RYQKKGFBEKKHBP-HNNXBMFYSA-N -1 0 395.459 3.316 20 30 GGEDRM Cc1[nH]c(C(=O)[C@@H](C)N2CCC(Oc3ccc(C#N)cc3)CC2)c(C)c1C(=O)[O-] ZINC000738237073 600104126 /nfs/dbraw/zinc/10/41/26/600104126.db2.gz RYQKKGFBEKKHBP-OAHLLOKOSA-N -1 0 395.459 3.316 20 30 GGEDRM N#Cc1ccc(OCc2ccc(C(=O)OCC(=O)c3cc(C(=O)[O-])co3)o2)cc1 ZINC000739129314 600144800 /nfs/dbraw/zinc/14/48/00/600144800.db2.gz UFAGTXKSAJBRTB-UHFFFAOYSA-N -1 0 395.323 3.061 20 30 GGEDRM CC(C)C[C@H](CO)NC(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC000736410231 600175100 /nfs/dbraw/zinc/17/51/00/600175100.db2.gz RRVDEWGXDFTPSS-HXUWFJFHSA-N -1 0 380.444 3.313 20 30 GGEDRM O=C([O-])c1ccc2[nH]cc(C=NN3C(=S)N=NC3c3ccccc3F)c2c1 ZINC000740191296 600180957 /nfs/dbraw/zinc/18/09/57/600180957.db2.gz YWSNZQFCIKZGKE-UHFFFAOYSA-N -1 0 381.392 3.435 20 30 GGEDRM CS(=O)(=O)c1ccccc1NN=Cc1ccc(-c2ccccc2C(=O)[O-])o1 ZINC000738175710 600181646 /nfs/dbraw/zinc/18/16/46/600181646.db2.gz DOWFCGXVKLLDPX-UHFFFAOYSA-N -1 0 384.413 3.494 20 30 GGEDRM N#Cc1ccc(Oc2cccc(C(=O)OCc3noc(CCC(=O)[O-])n3)c2)cc1 ZINC000739130506 600192393 /nfs/dbraw/zinc/19/23/93/600192393.db2.gz ULQUDYDORKJHIG-UHFFFAOYSA-N -1 0 393.355 3.108 20 30 GGEDRM N#Cc1ccc(Oc2ccc(C(=O)N[C@H](C(=O)[O-])c3cccs3)cc2)nc1 ZINC000739128683 600196744 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376.405 3.007 20 30 GGEDRM N#CCCN(C(=O)COC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1)c1cccc(Cl)c1 ZINC000833065727 601178583 /nfs/dbraw/zinc/17/85/83/601178583.db2.gz KOHQXQUMBQANAR-KBPBESRZSA-N -1 0 392.839 3.021 20 30 GGEDRM C=CCSc1ccccc1NC(=O)COC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000825702309 601186269 /nfs/dbraw/zinc/18/62/69/601186269.db2.gz IZMMFZNBUZTXFY-UONOGXRCSA-N -1 0 377.462 3.337 20 30 GGEDRM Cc1ccc(N(CCC#N)C(=O)[C@H](C)OC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000832934741 601188306 /nfs/dbraw/zinc/18/83/06/601188306.db2.gz IAVYUBCNAHJMTN-YESZJQIVSA-N -1 0 386.448 3.064 20 30 GGEDRM N#Cc1cc(N[C@@H]2CCN(c3sccc3C(=O)[O-])C2=O)nc2ccccc12 ZINC000833069528 601201160 /nfs/dbraw/zinc/20/11/60/601201160.db2.gz DBJFDEKIVCGJDL-OAHLLOKOSA-N -1 0 378.413 3.084 20 30 GGEDRM COc1cc(C(=O)[O-])sc1S(=O)(=O)N(CC(C)C)c1ccc(C#N)cc1 ZINC000831923052 601203496 /nfs/dbraw/zinc/20/34/96/601203496.db2.gz AIRDXBJACFZLAR-UHFFFAOYSA-N -1 0 394.474 3.178 20 30 GGEDRM CN(Cc1ccc(C#N)cc1)S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC000192984447 601214986 /nfs/dbraw/zinc/21/49/86/601214986.db2.gz KVIUKLLWCUGNLE-UHFFFAOYSA-N -1 0 399.255 3.384 20 30 GGEDRM CCN([C@@H](C)c1ccc(C#N)cc1)S(=O)(=O)c1cc(C(=O)[O-])ccc1OC ZINC000829601840 601219822 /nfs/dbraw/zinc/21/98/22/601219822.db2.gz ATCNFFNSGFEKAJ-ZDUSSCGKSA-N -1 0 388.445 3.037 20 30 GGEDRM CCN([C@H](C)c1ccc(C#N)cc1)S(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC000829602688 601219867 /nfs/dbraw/zinc/21/98/67/601219867.db2.gz VOFZINUHGNNBFI-XETPBLJFSA-N -1 0 384.457 3.428 20 30 GGEDRM C[C@H](ON=Cc1ccc(C(=O)[O-])cc1)C(=O)Nc1ccccc1OC(F)F ZINC000827878948 601219954 /nfs/dbraw/zinc/21/99/54/601219954.db2.gz IIRYRNXLGRDWQX-NSHDSACASA-N -1 0 378.331 3.364 20 30 GGEDRM Cc1cc(C(=O)CN(CC#N)CC(=O)[O-])c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000832859820 601226654 /nfs/dbraw/zinc/22/66/54/601226654.db2.gz YKCSZLTZQYCAJH-UHFFFAOYSA-N -1 0 393.365 3.206 20 30 GGEDRM CC(C)CN(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000737622474 601230478 /nfs/dbraw/zinc/23/04/78/601230478.db2.gz AUDMDQKGVZXLCB-UHFFFAOYSA-N -1 0 390.436 3.242 20 30 GGEDRM CCCN(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000829497107 601231618 /nfs/dbraw/zinc/23/16/18/601231618.db2.gz WPULZAAKKVMWSI-UHFFFAOYSA-N -1 0 394.399 3.136 20 30 GGEDRM N#C[C@H](C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1)c1nc(=O)c2c3c(sc2[nH]1)CCCC3 ZINC000833063935 601235906 /nfs/dbraw/zinc/23/59/06/601235906.db2.gz OBYUGGYEMOPGCT-GMXVVIOVSA-N -1 0 399.472 3.343 20 30 GGEDRM COc1cc(Cl)c(C)cc1NC(=O)[C@H](C#N)C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000832000135 601236643 /nfs/dbraw/zinc/23/66/43/601236643.db2.gz JXNDHUQHOZRARJ-FRRDWIJNSA-N -1 0 392.839 3.195 20 30 GGEDRM CC(C)CN(CCC#N)S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC000321192857 601236788 /nfs/dbraw/zinc/23/67/88/601236788.db2.gz OSIIMAWFUUGSFN-UHFFFAOYSA-N -1 0 379.265 3.252 20 30 GGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)c1cc(-c2ccccn2)no1 ZINC000825702669 601268333 /nfs/dbraw/zinc/26/83/33/601268333.db2.gz TYVBCXQRZULBTP-UHFFFAOYSA-N -1 0 380.356 3.391 20 30 GGEDRM N#Cc1ccc(C(=O)N[C@H](CC(=O)[O-])c2ccc(Br)cc2)s1 ZINC000833070410 601277389 /nfs/dbraw/zinc/27/73/89/601277389.db2.gz FAOJGAZPFVXLAW-GFCCVEGCSA-N -1 0 379.235 3.328 20 30 GGEDRM N#Cc1cccc([C@H](Nc2ccc(I)cc2)C(=O)[O-])c1 ZINC000833075653 601297935 /nfs/dbraw/zinc/29/79/35/601297935.db2.gz MWXBFPRQXRMYSQ-AWEZNQCLSA-N -1 0 378.169 3.401 20 30 GGEDRM CN([C@H](C(=O)[O-])c1ccccc1)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000548233205 601332127 /nfs/dbraw/zinc/33/21/27/601332127.db2.gz KUVBQCXUJAAKGT-HNNXBMFYSA-N -1 0 398.362 3.023 20 30 GGEDRM Cc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000548527134 601332206 /nfs/dbraw/zinc/33/22/06/601332206.db2.gz ZXZVEPUOBSYURN-UHFFFAOYSA-N -1 0 384.335 3.385 20 30 GGEDRM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000827914843 601344704 /nfs/dbraw/zinc/34/47/04/601344704.db2.gz HOAOGXAJOPFIJF-BDJLRTHQSA-N -1 0 386.385 3.316 20 30 GGEDRM Cc1c(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)cnn1-c1cccc(C)c1 ZINC000832963933 601346133 /nfs/dbraw/zinc/34/61/33/601346133.db2.gz YKGQSQOYLRWMEY-LJQANCHMSA-N -1 0 375.384 3.344 20 30 GGEDRM COc1ccc(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1Br ZINC000832213791 601346679 /nfs/dbraw/zinc/34/66/79/601346679.db2.gz RWGPXWPYYUJBQO-OAHLLOKOSA-N -1 0 390.189 3.312 20 30 GGEDRM Cc1c(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)cnn1-c1ccccc1F ZINC000832853498 601346742 /nfs/dbraw/zinc/34/67/42/601346742.db2.gz IGZWYDKWZCAALF-SFHVURJKSA-N -1 0 379.347 3.174 20 30 GGEDRM CSc1ncc(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)n1-c1ccccc1 ZINC000832797894 601346750 /nfs/dbraw/zinc/34/67/50/601346750.db2.gz FKRPDBZUEBPMJE-QGZVFWFLSA-N -1 0 393.424 3.449 20 30 GGEDRM Cc1nn(-c2ccccc2)c(C)c1CC(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000833011619 601346915 /nfs/dbraw/zinc/34/69/15/601346915.db2.gz MWPNSAMCNVQTJB-NRFANRHFSA-N -1 0 389.411 3.272 20 30 GGEDRM N#Cc1cccc([C@@H](OC(=O)c2cc(Br)ccc2F)C(=O)[O-])c1 ZINC000833077599 601347285 /nfs/dbraw/zinc/34/72/85/601347285.db2.gz XGLRNKRSSSUBOG-CQSZACIVSA-N -1 0 378.153 3.443 20 30 GGEDRM Cc1cc(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)c2cnn(C(C)C)c2n1 ZINC000832868724 601347543 /nfs/dbraw/zinc/34/75/43/601347543.db2.gz RYTLZXQYCSVVKI-QGZVFWFLSA-N -1 0 378.388 3.175 20 30 GGEDRM Cc1c(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)cnn1-c1ccccc1C ZINC000832975965 601348387 /nfs/dbraw/zinc/34/83/87/601348387.db2.gz FVMCJDMXJBLDKN-IBGZPJMESA-N -1 0 375.384 3.344 20 30 GGEDRM Cc1c(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)cnn1-c1ccc(F)cc1F ZINC000832854263 601348466 /nfs/dbraw/zinc/34/84/66/601348466.db2.gz VWTKATHIWVRZID-SFHVURJKSA-N -1 0 397.337 3.313 20 30 GGEDRM Cc1cc(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)c(C)n1-c1nccs1 ZINC000832869128 601348512 /nfs/dbraw/zinc/34/85/12/601348512.db2.gz ZGSCWXYUUCBRGZ-MRXNPFEDSA-N -1 0 381.413 3.405 20 30 GGEDRM Cc1c(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)cnn1-c1ccc(F)cc1 ZINC000832852960 601348538 /nfs/dbraw/zinc/34/85/38/601348538.db2.gz DDHBHINLIRJDRZ-SFHVURJKSA-N -1 0 379.347 3.174 20 30 GGEDRM Cc1c(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)cnn1-c1ccccc1C ZINC000832975966 601348550 /nfs/dbraw/zinc/34/85/50/601348550.db2.gz FVMCJDMXJBLDKN-LJQANCHMSA-N -1 0 375.384 3.344 20 30 GGEDRM N#Cc1cccc([C@H](OC(=O)c2ccc(N3CCCCCC3)nc2)C(=O)[O-])c1 ZINC000833075959 601348710 /nfs/dbraw/zinc/34/87/10/601348710.db2.gz FTAVUTKTMRHVIK-IBGZPJMESA-N -1 0 379.416 3.316 20 30 GGEDRM COCCn1cc(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)c2ccccc21 ZINC000831800210 601350971 /nfs/dbraw/zinc/35/09/71/601350971.db2.gz IEZJNEMUROTYEI-IBGZPJMESA-N -1 0 378.384 3.142 20 30 GGEDRM N#Cc1cccc([C@@H](OC(=O)c2ccc(Br)c(F)c2)C(=O)[O-])c1 ZINC000833077511 601351372 /nfs/dbraw/zinc/35/13/72/601351372.db2.gz VBMKRINSPMORLX-CQSZACIVSA-N -1 0 378.153 3.443 20 30 GGEDRM CCn1cc(Br)cc1C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830420093 601351750 /nfs/dbraw/zinc/35/17/50/601351750.db2.gz UAVURMLIXVBUIM-AWEZNQCLSA-N -1 0 377.194 3.125 20 30 GGEDRM Cc1oc(-c2ccsc2)nc1CC(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000833024931 601352208 /nfs/dbraw/zinc/35/22/08/601352208.db2.gz XZMCBYWNQOTWIJ-QGZVFWFLSA-N -1 0 382.397 3.495 20 30 GGEDRM CCOc1cn(-c2ccccc2)nc1C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830122442 601352712 /nfs/dbraw/zinc/35/27/12/601352712.db2.gz GRSFTITUXXEIEN-LJQANCHMSA-N -1 0 391.383 3.125 20 30 GGEDRM Cc1c(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)nnn1-c1ccccc1Cl ZINC000832853873 601353199 /nfs/dbraw/zinc/35/31/99/601353199.db2.gz OYZXVNICFULSTL-QGZVFWFLSA-N -1 0 396.790 3.084 20 30 GGEDRM Cc1cc(Br)c(N)c(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000832857942 601353683 /nfs/dbraw/zinc/35/36/83/601353683.db2.gz FDRGBWGMGOPMGR-OAHLLOKOSA-N -1 0 389.205 3.194 20 30 GGEDRM N#Cc1cccc([C@@H](OC(=O)c2cccc(Oc3cnccn3)c2)C(=O)[O-])c1 ZINC000833077130 601354045 /nfs/dbraw/zinc/35/40/45/601354045.db2.gz LGOVXVLFAJOLSR-GOSISDBHSA-N -1 0 375.340 3.123 20 30 GGEDRM N#Cc1cccc([C@H](OC(=O)c2ccc(F)c(Br)c2)C(=O)[O-])c1 ZINC000833077194 601355134 /nfs/dbraw/zinc/35/51/34/601355134.db2.gz MXCSUJFEMUOMFX-AWEZNQCLSA-N -1 0 378.153 3.443 20 30 GGEDRM N#Cc1cccc([C@H](OC(=O)c2c(F)cccc2Br)C(=O)[O-])c1 ZINC000833075395 601355746 /nfs/dbraw/zinc/35/57/46/601355746.db2.gz AQMYWSKARBYNGV-AWEZNQCLSA-N -1 0 378.153 3.443 20 30 GGEDRM N#Cc1cccc([C@H](OC(=O)c2ccn(-c3c(F)cccc3F)n2)C(=O)[O-])c1 ZINC000833077394 601356010 /nfs/dbraw/zinc/35/60/10/601356010.db2.gz RCTSVKDWTOZPGR-KRWDZBQOSA-N -1 0 383.310 3.005 20 30 GGEDRM N#Cc1ccc([C@H](OC(=O)c2ccc(-c3nc(C4CC4)no3)cc2)C(=O)[O-])cc1 ZINC000833072785 601359406 /nfs/dbraw/zinc/35/94/06/601359406.db2.gz QCROSEDUVWMZHJ-KRWDZBQOSA-N -1 0 389.367 3.468 20 30 GGEDRM Cc1csc(CCN2C(=O)N[C@H](c3cc(C#N)cs3)C(C(=O)[O-])=C2C)n1 ZINC000828134441 601376538 /nfs/dbraw/zinc/37/65/38/601376538.db2.gz GZQCRKDBCMMMCI-OAHLLOKOSA-N -1 0 388.474 3.052 20 30 GGEDRM Cc1cc(C(=O)[O-])cc(S(=O)(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)c1C ZINC000832865823 601385001 /nfs/dbraw/zinc/38/50/01/601385001.db2.gz SDRGVUPHEGDNQT-OALUTQOASA-N -1 0 398.484 3.462 20 30 GGEDRM Cc1cccc(S(=O)(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)c1C(=O)[O-] ZINC000832972394 601385423 /nfs/dbraw/zinc/38/54/23/601385423.db2.gz BGBRQPXHISSJBC-SJORKVTESA-N -1 0 384.457 3.154 20 30 GGEDRM Cc1ccc(S(=O)(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc1C(=O)[O-] ZINC000832955825 601385445 /nfs/dbraw/zinc/38/54/45/601385445.db2.gz WVKLWGJYTCATNU-RBUKOAKNSA-N -1 0 384.457 3.154 20 30 GGEDRM N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC000833064761 601410851 /nfs/dbraw/zinc/41/08/51/601410851.db2.gz NFUQMZHAYZRRIF-WOJBJXKFSA-N -1 0 377.444 3.409 20 30 GGEDRM CCc1oc(C(=O)[O-])cc1CN1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000830374301 601414906 /nfs/dbraw/zinc/41/49/06/601414906.db2.gz AMVRZFUMPYRFDS-UHFFFAOYSA-N -1 0 390.443 3.282 20 30 GGEDRM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCc1cccc(OCC(=O)[O-])c1 ZINC000833064648 601417242 /nfs/dbraw/zinc/41/72/42/601417242.db2.gz MFYJEHIOPWQFEH-PMACEKPBSA-N -1 0 393.443 3.131 20 30 GGEDRM N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000833064420 601426694 /nfs/dbraw/zinc/42/66/94/601426694.db2.gz IWRUJVNWZQLAFF-ZWKOTPCHSA-N -1 0 379.372 3.205 20 30 GGEDRM CC(=O)c1[nH]c(CC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)c(C(=O)[O-])c1C ZINC000825929312 601427504 /nfs/dbraw/zinc/42/75/04/601427504.db2.gz PLFJUUIVSSNIOV-SJLPKXTDSA-N -1 0 393.443 3.065 20 30 GGEDRM COCCN(CCC(=O)[O-])C(=O)c1ccc(Sc2ccccc2C#N)cc1 ZINC000831729908 601438972 /nfs/dbraw/zinc/43/89/72/601438972.db2.gz FXXRAICSIJADKF-UHFFFAOYSA-N -1 0 384.457 3.273 20 30 GGEDRM N#Cc1ccc(Oc2ccc(OCC(=O)N3CCC(C(=O)[O-])CC3)cc2)cc1 ZINC000833072401 601445612 /nfs/dbraw/zinc/44/56/12/601445612.db2.gz YGMHWWNBPFTUJG-UHFFFAOYSA-N -1 0 380.400 3.053 20 30 GGEDRM Cc1c(C(=O)[O-])c2cc(OC(=O)[C@@H](C)Oc3ccc(C#N)cc3)ccc2n1C ZINC000832851347 601450633 /nfs/dbraw/zinc/45/06/33/601450633.db2.gz LQBVKNWMKGXIPH-CYBMUJFWSA-N -1 0 378.384 3.430 20 30 GGEDRM C=CCc1ccc(OCC(=O)N2CCc3ccccc3[C@H]2C(=O)[O-])c(OC)c1 ZINC000262554318 601489936 /nfs/dbraw/zinc/48/99/36/601489936.db2.gz VWGVCIUXVOIYPH-NRFANRHFSA-N -1 0 381.428 3.013 20 30 GGEDRM C[C@H](NC(=O)C(=O)Nc1scc(C2CC2)c1C(=O)[O-])c1cccc(C#N)c1 ZINC000827616071 601494461 /nfs/dbraw/zinc/49/44/61/601494461.db2.gz MMCHNQKKRBUCCH-JTQLQIEISA-N -1 0 383.429 3.011 20 30 GGEDRM Cc1cc(C(=O)NCCSCc2ccccc2C#N)cc(C)c1OCC(=O)[O-] ZINC000832864281 601529085 /nfs/dbraw/zinc/52/90/85/601529085.db2.gz RXGMKMOVCKBKMP-UHFFFAOYSA-N -1 0 398.484 3.302 20 30 GGEDRM Cc1ccc(C(=O)[O-])cc1NC(=O)CN1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000832916810 601539896 /nfs/dbraw/zinc/53/98/96/601539896.db2.gz RWHJGUHADPZTOI-QUCCMNQESA-N -1 0 377.444 3.404 20 30 GGEDRM Cc1ccc(C(=O)[O-])cc1NC(=O)CN1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000832916807 601540063 /nfs/dbraw/zinc/54/00/63/601540063.db2.gz RWHJGUHADPZTOI-ICSRJNTNSA-N -1 0 377.444 3.404 20 30 GGEDRM COc1cc(CN2CC[C@](F)(C(=O)[O-])C2)ccc1OCc1cccc(C#N)c1 ZINC000831995372 601550865 /nfs/dbraw/zinc/55/08/65/601550865.db2.gz JMURFVDSLNWEEZ-OAQYLSRUSA-N -1 0 384.407 3.144 20 30 GGEDRM CC[C@H](C#N)Oc1cccc(CNC(=O)c2cc(C)c(OCC(=O)[O-])c(C)c2)c1 ZINC000828586696 601563623 /nfs/dbraw/zinc/56/36/23/601563623.db2.gz JDISOIAIXMSLLI-GOSISDBHSA-N -1 0 396.443 3.378 20 30 GGEDRM Cc1cc(C(=O)Nc2ccnn2-c2ccc(C#N)cc2)cc(C)c1OCC(=O)[O-] ZINC000832867029 601564018 /nfs/dbraw/zinc/56/40/18/601564018.db2.gz KUTCMQUFZATXRS-UHFFFAOYSA-N -1 0 390.399 3.077 20 30 GGEDRM N#Cc1cc(Br)cc(S(=O)(=O)Oc2cccc(NC(=O)[O-])c2)c1 ZINC000833068333 601579950 /nfs/dbraw/zinc/57/99/50/601579950.db2.gz UTPKXGNPWDIOTJ-UHFFFAOYSA-N -1 0 397.206 3.178 20 30 GGEDRM N#Cc1cccc([C@H](OC(=O)[C@H](O)c2cc(Cl)cc(Cl)c2)C(=O)[O-])c1 ZINC000833075146 601610817 /nfs/dbraw/zinc/61/08/17/601610817.db2.gz IEOHAGSSAFUGRH-CABCVRRESA-N -1 0 380.183 3.268 20 30 GGEDRM N#Cc1ccc([C@H](OC(=O)[C@H](O)c2cc(Cl)cc(Cl)c2)C(=O)[O-])cc1 ZINC000833071135 601610821 /nfs/dbraw/zinc/61/08/21/601610821.db2.gz CUZPRHCDPCCHLS-CABCVRRESA-N -1 0 380.183 3.268 20 30 GGEDRM N#Cc1cc(F)c(C(=O)N[C@@H](C(=O)[O-])c2ccc(Br)cc2)c(F)c1 ZINC000833069199 601672813 /nfs/dbraw/zinc/67/28/13/601672813.db2.gz XCGBGVRXJOHISU-CQSZACIVSA-N -1 0 395.159 3.155 20 30 GGEDRM C=CCn1c2ncn(Cc3ccc(C(=O)[O-])c(F)c3)c(=O)c2sc1=S ZINC000825705586 601673021 /nfs/dbraw/zinc/67/30/21/601673021.db2.gz NQSMHUDXVRWYGG-UHFFFAOYSA-N -1 0 377.422 3.061 20 30 GGEDRM C=CCNC(=O)Nc1ccc(NC(=O)c2cc(C)c(OCC(=O)[O-])c(C)c2)cc1 ZINC000537473327 601674407 /nfs/dbraw/zinc/67/44/07/601674407.db2.gz RQRFNEBJGZAKHZ-UHFFFAOYSA-N -1 0 397.431 3.327 20 30 GGEDRM N#CCCN(C(=O)CCC(=O)Nc1cccc(F)c1C(=O)[O-])c1ccccc1 ZINC000833065468 601675690 /nfs/dbraw/zinc/67/56/90/601675690.db2.gz FOOUGXOSHNFXKY-UHFFFAOYSA-N -1 0 383.379 3.189 20 30 GGEDRM COC[C@](C)(CC(=O)[O-])NC(=O)c1ccc(Oc2ccc(C#N)cc2C)cc1 ZINC000831568011 601678940 /nfs/dbraw/zinc/67/89/40/601678940.db2.gz SMGRVMRWOFFOSB-NRFANRHFSA-N -1 0 382.416 3.269 20 30 GGEDRM Cc1cc(C(=O)N[C@@](C)(C#N)CCc2ccccc2)cc(C)c1OCC(=O)[O-] ZINC000832864192 601687138 /nfs/dbraw/zinc/68/71/38/601687138.db2.gz VRFJYTKFCYKDIS-JOCHJYFZSA-N -1 0 380.444 3.412 20 30 GGEDRM N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCO[C@H](CC(=O)[O-])C2)cc1 ZINC000833065004 601691095 /nfs/dbraw/zinc/69/10/95/601691095.db2.gz PZNLUEDFKRIMFI-RTBURBONSA-N -1 0 379.416 3.049 20 30 GGEDRM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000833065248 601691713 /nfs/dbraw/zinc/69/17/13/601691713.db2.gz WCUWPQFFZHWARK-OALUTQOASA-N -1 0 379.416 3.454 20 30 GGEDRM C=CCOc1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccc(Cl)cc2)cc1OC ZINC000538468070 601699988 /nfs/dbraw/zinc/69/99/88/601699988.db2.gz SKMOBWJDKFTSIY-QGZVFWFLSA-N -1 0 375.808 3.469 20 30 GGEDRM COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC[C@@](F)(C(=O)[O-])C2)cc1 ZINC000831860850 601706005 /nfs/dbraw/zinc/70/60/05/601706005.db2.gz GHSVYRRNJMJYPM-FQEVSTJZSA-N -1 0 399.378 3.390 20 30 GGEDRM COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC[C@](F)(C(=O)[O-])C2)cc1 ZINC000831860851 601706110 /nfs/dbraw/zinc/70/61/10/601706110.db2.gz GHSVYRRNJMJYPM-HXUWFJFHSA-N -1 0 399.378 3.390 20 30 GGEDRM N#Cc1ccccc1Oc1ccc(NC(=O)N2CCO[C@H](CC(=O)[O-])C2)cc1F ZINC000833076781 601729611 /nfs/dbraw/zinc/72/96/11/601729611.db2.gz PGVULVYSUGEPRE-OAHLLOKOSA-N -1 0 399.378 3.197 20 30 GGEDRM N#Cc1ccccc1OCc1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccccc2F)o1 ZINC000833076739 601736019 /nfs/dbraw/zinc/73/60/19/601736019.db2.gz OFEDPYHLSHAOFQ-LJQANCHMSA-N -1 0 394.358 3.425 20 30 GGEDRM COC(=O)c1cc(OCc2ccc(C#N)cc2OC(F)F)cc(C(=O)[O-])c1 ZINC000831331310 601782459 /nfs/dbraw/zinc/78/24/59/601782459.db2.gz IBVBGPTXMPNVQZ-UHFFFAOYSA-N -1 0 377.299 3.223 20 30 GGEDRM COc1cc(NCc2ccc(C#N)cc2OC(F)F)c(C(=O)[O-])cc1OC ZINC000832025685 601786572 /nfs/dbraw/zinc/78/65/72/601786572.db2.gz BDJYGNHUYRVPNI-UHFFFAOYSA-N -1 0 378.331 3.487 20 30 GGEDRM Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)S(=O)(=O)C[C@H](C)C(=O)[O-] ZINC000832890640 601789589 /nfs/dbraw/zinc/78/95/89/601789589.db2.gz XYZCYRCZEOXJNL-AWEZNQCLSA-N -1 0 390.436 3.063 20 30 GGEDRM Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ncc(C(=O)[O-])s2)cc1C ZINC000832908519 601801803 /nfs/dbraw/zinc/80/18/03/601801803.db2.gz MENMYSVVOOQTRV-UHFFFAOYSA-N -1 0 395.444 3.488 20 30 GGEDRM C#CCN(C1CCCC1)S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC000825609187 601811752 /nfs/dbraw/zinc/81/17/52/601811752.db2.gz XXYICMCXGMXSPR-UHFFFAOYSA-N -1 0 376.261 3.258 20 30 GGEDRM CC(=O)C1=C(C(=O)[O-])N(CC2CC2)C(=O)N[C@@H]1c1cc(C)ccc1OC(F)F ZINC000825813769 601814843 /nfs/dbraw/zinc/81/48/43/601814843.db2.gz QVJZESGULNBVDX-OAHLLOKOSA-N -1 0 394.374 3.000 20 30 GGEDRM CC(C)Cc1ccc([C@H]2NC(=S)NC(C(=O)[O-])=C2C(=O)c2cccnc2)cc1 ZINC000826913134 601825303 /nfs/dbraw/zinc/82/53/03/601825303.db2.gz OOWVNUGJHDOFMM-QGZVFWFLSA-N -1 0 395.484 3.021 20 30 GGEDRM C=CCN(Cc1ccc(OC)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000825682422 601836068 /nfs/dbraw/zinc/83/60/68/601836068.db2.gz ZRDLGSDNARGWMS-UHFFFAOYSA-N -1 0 395.864 3.424 20 30 GGEDRM C#CCN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000825614344 601836873 /nfs/dbraw/zinc/83/68/73/601836873.db2.gz MCKKGTAUBIPBDD-UHFFFAOYSA-N -1 0 381.812 3.001 20 30 GGEDRM C=CCOc1ccccc1CNS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000761291797 601839098 /nfs/dbraw/zinc/83/90/98/601839098.db2.gz GTZXGSKBAPWUNY-UHFFFAOYSA-N -1 0 381.837 3.082 20 30 GGEDRM Cc1cccc(N(CCC#N)S(=O)(=O)c2cc(F)c(F)c(C(=O)[O-])c2)c1 ZINC000751143915 601840662 /nfs/dbraw/zinc/84/06/62/601840662.db2.gz XNVBLBXXCMUXLK-UHFFFAOYSA-N -1 0 380.372 3.080 20 30 GGEDRM C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCC(CCC(=O)[O-])CC1 ZINC000825966556 601844795 /nfs/dbraw/zinc/84/47/95/601844795.db2.gz GZLCSZBENBXFKX-HNNXBMFYSA-N -1 0 389.521 3.454 20 30 GGEDRM CC[C@@H](C#N)Oc1cc(CNC(=O)NCc2cccc(C(=O)[O-])c2)ccc1OC ZINC000828586377 601870552 /nfs/dbraw/zinc/87/05/52/601870552.db2.gz FBSFVZJDORHHEA-KRWDZBQOSA-N -1 0 397.431 3.074 20 30 GGEDRM N#Cc1ccc(N2CCC[C@@H]2C(=O)Oc2ccc(SCC(=O)[O-])cc2)cc1 ZINC000833073243 601877029 /nfs/dbraw/zinc/87/70/29/601877029.db2.gz JVFNVTYJFGFHLP-GOSISDBHSA-N -1 0 382.441 3.309 20 30 GGEDRM C=CCn1c(-c2ccc(F)cc2)nn(CN2CC[C@](C)(C(=O)[O-])C2)c1=S ZINC000825706012 601885366 /nfs/dbraw/zinc/88/53/66/601885366.db2.gz XJFHATZQCBZKFI-SFHVURJKSA-N -1 0 376.457 3.160 20 30 GGEDRM C=CCn1c(-c2ccccc2F)nn(CN2CC[C@@](C)(C(=O)[O-])C2)c1=S ZINC000825705588 601893012 /nfs/dbraw/zinc/89/30/12/601893012.db2.gz NXMBNNSNTAXJQJ-GOSISDBHSA-N -1 0 376.457 3.160 20 30 GGEDRM Cc1ccc(N(CCC#N)C(=O)CNc2ccc(OCC(=O)[O-])cc2C)cc1C ZINC000832934879 601908137 /nfs/dbraw/zinc/90/81/37/601908137.db2.gz JHLDAGPKHRIJDN-UHFFFAOYSA-N -1 0 395.459 3.434 20 30 GGEDRM CCOc1ccc(N(CCC#N)C(=O)CNc2cccc(C(=O)[O-])c2C)cc1 ZINC000830080656 601908214 /nfs/dbraw/zinc/90/82/14/601908214.db2.gz QLFSSEBBEDDUAR-UHFFFAOYSA-N -1 0 381.432 3.451 20 30 GGEDRM Cc1cccc(N(CCC#N)C(=O)CNc2ccc(OCC(=O)[O-])cc2C)c1C ZINC000832902427 601908335 /nfs/dbraw/zinc/90/83/35/601908335.db2.gz VTBJJJKSDQHZLZ-UHFFFAOYSA-N -1 0 395.459 3.434 20 30 GGEDRM COc1ccc(C(=O)[O-])c(NCC(=O)N(CCC#N)c2ccc(C)c(C)c2)c1 ZINC000832179217 601909395 /nfs/dbraw/zinc/90/93/95/601909395.db2.gz WOHBKUWZMDLMEC-UHFFFAOYSA-N -1 0 381.432 3.369 20 30 GGEDRM Cc1cc(C)cc(N(CCC#N)C(=O)CNc2ccc(CNC(=O)[O-])cc2)c1 ZINC000832877234 601909421 /nfs/dbraw/zinc/90/94/21/601909421.db2.gz SDEMUEYGZZSFQW-UHFFFAOYSA-N -1 0 380.448 3.430 20 30 GGEDRM COc1cc(C#N)ccc1OCCCC(=O)N[C@@H]1CCCCCC[C@@H]1C(=O)[O-] ZINC000831861277 601915368 /nfs/dbraw/zinc/91/53/68/601915368.db2.gz SPKBJEMNBHMKMN-DLBZAZTESA-N -1 0 388.464 3.266 20 30 GGEDRM C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000827217966 601973230 /nfs/dbraw/zinc/97/32/30/601973230.db2.gz LNGFACQNKYEKGM-ZDUSSCGKSA-N -1 0 397.456 3.034 20 30 GGEDRM C#CCOc1ccc(C(=O)N(C)[C@H](C(=O)[O-])c2cc(F)c(F)c(F)c2)cc1 ZINC000825625791 602000028 /nfs/dbraw/zinc/00/00/28/602000028.db2.gz NKHMQPBKXYVVQC-KRWDZBQOSA-N -1 0 377.318 3.014 20 30 GGEDRM C[C@@H](Oc1ccccc1C#N)C(=O)N(C)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000827894820 602020132 /nfs/dbraw/zinc/02/01/32/602020132.db2.gz AEHBELGKTJVGDX-QGHHPUGFSA-N -1 0 392.333 3.027 20 30 GGEDRM Cn1cc(C#N)cc1C(=O)Nc1cc(C(=O)[O-])ccc1OCc1ccccc1 ZINC000833040624 602063098 /nfs/dbraw/zinc/06/30/98/602063098.db2.gz NPUYZIPYHIMOIS-UHFFFAOYSA-N -1 0 375.384 3.426 20 30 GGEDRM C[C@H](Oc1ccc(C=Nn2cnc3sc4c(c3c2=O)CCCC4)cc1)C(=O)[O-] ZINC000794858309 602067297 /nfs/dbraw/zinc/06/72/97/602067297.db2.gz DZYPBOHQSUMVKB-LBPRGKRZSA-N -1 0 397.456 3.071 20 30 GGEDRM C[C@H](Oc1ccc(C=NNCc2ccc(Br)cc2)cc1)C(=O)[O-] ZINC000794901306 602073910 /nfs/dbraw/zinc/07/39/10/602073910.db2.gz CZFAMZUEXXIKRD-LBPRGKRZSA-N -1 0 377.238 3.425 20 30 GGEDRM C=CCC(CC=C)C(=O)N1CCN([C@@H](C(=O)[O-])c2ccc(Cl)cc2)CC1 ZINC000825659727 602091405 /nfs/dbraw/zinc/09/14/05/602091405.db2.gz BKOMAHIHNCYWMA-GOSISDBHSA-N -1 0 376.884 3.378 20 30 GGEDRM C[C@@H](Oc1ccc(/C=C\C(=O)c2ccc(N3CCOCC3)cc2)cc1)C(=O)[O-] ZINC000827884284 602106045 /nfs/dbraw/zinc/10/60/45/602106045.db2.gz AGYMYRHNYABHIE-LXYJIPTKSA-N -1 0 381.428 3.271 20 30 GGEDRM CC(=O)C1=C(C(=O)[O-])N(Cc2ccccc2)C(=O)N[C@@H]1c1cnc(Cl)c(C)c1 ZINC000825813198 602108776 /nfs/dbraw/zinc/10/87/76/602108776.db2.gz IJCHJZKJSNMBQO-MRXNPFEDSA-N -1 0 399.834 3.238 20 30 GGEDRM Cc1c(C(=O)/C=C/c2ccc(O[C@@H](C)C(=O)[O-])cc2)nnn1-c1ccccc1 ZINC000794698236 602109010 /nfs/dbraw/zinc/10/90/10/602109010.db2.gz IABAGGVZLZBKEB-VOMSXAGXSA-N -1 0 377.400 3.324 20 30 GGEDRM COc1ccc(C(=O)/C=C\c2ccc(O[C@@H](C)C(=O)[O-])cc2)cc1NC(C)=O ZINC000832156694 602111654 /nfs/dbraw/zinc/11/16/54/602111654.db2.gz CJAJWMHMRMMDGF-HKBVPSITSA-N -1 0 383.400 3.402 20 30 GGEDRM COc1ccc(C(=O)/C=C/c2ccc(O[C@@H](C)C(=O)[O-])cc2)cc1NC(C)=O ZINC000832156695 602111779 /nfs/dbraw/zinc/11/17/79/602111779.db2.gz CJAJWMHMRMMDGF-PPOCWRSBSA-N -1 0 383.400 3.402 20 30 GGEDRM N#CCc1ccc(NC(=O)CNc2ccc(OCC(=O)[O-])c3ccccc23)cc1 ZINC000833068716 602114314 /nfs/dbraw/zinc/11/43/14/602114314.db2.gz APJOFRVAXZVISP-UHFFFAOYSA-N -1 0 389.411 3.420 20 30 GGEDRM N#Cc1ccc(NC(=O)CNc2ccc(OCC(=O)[O-])c3ccccc23)cc1 ZINC000833073033 602114325 /nfs/dbraw/zinc/11/43/25/602114325.db2.gz 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N#Cc1cccc(C(=O)[N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)c1 ZINC000117106113 1413000348 /nfs/dbraw/zinc/00/03/48/1413000348.db2.gz KDRYJOOBZARDBJ-UHFFFAOYSA-N -1 0 388.754 3.349 20 30 GGEDRM N#Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(OC[C@@H]3CCCO3)cc2)c(F)c1 ZINC000177355455 1428703131 /nfs/dbraw/zinc/70/31/31/1428703131.db2.gz ADIQZGVQZVGMBP-HNNXBMFYSA-N -1 0 394.399 3.195 20 30 GGEDRM N#Cc1ccc(N2CCN(C(=O)c3ccc4[n-]c(=S)oc4c3)CC2)c(F)c1 ZINC000118783595 1413220517 /nfs/dbraw/zinc/22/05/17/1413220517.db2.gz BBSOTOMXHISLPM-UHFFFAOYSA-N -1 0 382.420 3.090 20 30 GGEDRM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=S)Nc1ccc(C#N)c(Cl)c1 ZINC000736817708 1428720103 /nfs/dbraw/zinc/72/01/03/1428720103.db2.gz HDPKINFSGLIDAL-UHFFFAOYSA-N -1 0 383.868 3.221 20 30 GGEDRM COc1ccc(CNC(=O)C(C#N)=C([O-])c2cnc(-c3ccccc3)s2)cc1 ZINC000119375761 1413428338 /nfs/dbraw/zinc/42/83/38/1413428338.db2.gz KUTQHAURXHPJJM-KRWDZBQOSA-N -1 0 391.452 3.458 20 30 GGEDRM COc1ccc(CNC(=O)C(C#N)=C([O-])c2cc(C3CC3)n(C(C)(C)C)n2)cc1 ZINC000119386245 1413431439 /nfs/dbraw/zinc/43/14/39/1413431439.db2.gz LKFYKIBIIBSPFF-KRWDZBQOSA-N -1 0 394.475 3.163 20 30 GGEDRM CCc1nc(C([O-])=C(C#N)C(=O)NC2CCCCC2)nn1-c1ccccc1Cl ZINC000119771044 1413562648 /nfs/dbraw/zinc/56/26/48/1413562648.db2.gz ZAJWRYUKARFRJZ-AWEZNQCLSA-N -1 0 399.882 3.254 20 30 GGEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1cccc(NC(=O)c2cccs2)c1 ZINC000119773605 1413563710 /nfs/dbraw/zinc/56/37/10/1413563710.db2.gz ZNDMJBIXWPZMQG-MRXNPFEDSA-N -1 0 381.457 3.382 20 30 GGEDRM CCCCCCC[C@]1(C)NC(=O)N([N-]C(=O)c2cnn(-c3ccccc3)c2)C1=O ZINC000119831167 1413585815 /nfs/dbraw/zinc/58/58/15/1413585815.db2.gz WOMSJOUJQBNCIK-NRFANRHFSA-N -1 0 397.479 3.188 20 30 GGEDRM C=CCNC(=O)C(C#N)=C([O-])c1cc(-c2cccs2)n(-c2ccccc2)n1 ZINC000120039776 1413664665 /nfs/dbraw/zinc/66/46/65/1413664665.db2.gz FVOLPHAQMAJWIX-OAHLLOKOSA-N -1 0 376.441 3.225 20 30 GGEDRM N#Cc1ccc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)cc1C(F)(F)F ZINC000120135553 1413702192 /nfs/dbraw/zinc/70/21/92/1413702192.db2.gz OPJNKBRTGCTMJX-UHFFFAOYSA-N -1 0 377.325 3.348 20 30 GGEDRM N#Cc1ccc(CCC(=O)[N-]S(=O)(=O)c2cc(Cl)sc2Cl)cc1 ZINC000120325326 1413787130 /nfs/dbraw/zinc/78/71/30/1413787130.db2.gz PRKNPGQTIDZSLP-UHFFFAOYSA-N -1 0 389.285 3.364 20 30 GGEDRM N#Cc1ccc([N-]S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)cc1 ZINC000120537261 1413838736 /nfs/dbraw/zinc/83/87/36/1413838736.db2.gz HHKPGHMYKRHDHX-UHFFFAOYSA-N -1 0 382.195 3.030 20 30 GGEDRM C=C[C@H](CC(=O)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccccc1 ZINC000120644649 1413864045 /nfs/dbraw/zinc/86/40/45/1413864045.db2.gz FWLPJZNGPLPCKY-GFCCVEGCSA-N -1 0 394.836 3.413 20 30 GGEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)Cc1cc(OC)ccc1OCOC ZINC000823914323 1428762403 /nfs/dbraw/zinc/76/24/03/1428762403.db2.gz FUZBMICKJRHRSC-UHFFFAOYSA-N -1 0 395.463 3.046 20 30 GGEDRM N#Cc1ccc(Cc2cnc([N-]S(=O)(=O)c3ccc(Cl)nc3)s2)cc1 ZINC000120920258 1413948361 /nfs/dbraw/zinc/94/83/61/1413948361.db2.gz YUFBVLATWRVBAF-UHFFFAOYSA-N -1 0 390.877 3.455 20 30 GGEDRM N#Cc1ccc(Cc2cnc([N-]S(=O)(=O)c3cccc(C#N)c3)s2)cc1 ZINC000120920422 1413948594 /nfs/dbraw/zinc/94/85/94/1413948594.db2.gz BGVOKCQMXOCUGV-UHFFFAOYSA-N -1 0 380.454 3.278 20 30 GGEDRM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2OC(F)F)c1 ZINC000120924234 1413949482 /nfs/dbraw/zinc/94/94/82/1413949482.db2.gz NAFFYUXSQZJVTO-UHFFFAOYSA-N -1 0 382.388 3.005 20 30 GGEDRM CC(C)COc1ccccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000120952090 1413957886 /nfs/dbraw/zinc/95/78/86/1413957886.db2.gz IURRDWNKQYRFKL-UHFFFAOYSA-N -1 0 375.406 3.302 20 30 GGEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)CCc1nc(-c2ccccn2)no1 ZINC000120984504 1413968579 /nfs/dbraw/zinc/96/85/79/1413968579.db2.gz LGWKVUOTSBYCSE-HNNXBMFYSA-N -1 0 399.410 3.446 20 30 GGEDRM CCCCOc1cccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)c1 ZINC000120987311 1413969750 /nfs/dbraw/zinc/96/97/50/1413969750.db2.gz VEXMDZRNYKAGDY-UHFFFAOYSA-N -1 0 375.406 3.446 20 30 GGEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000121032686 1413983137 /nfs/dbraw/zinc/98/31/37/1413983137.db2.gz SLKGKMTWHGHDFR-HKUYNNGSSA-N -1 0 399.450 3.417 20 30 GGEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000121032421 1413983540 /nfs/dbraw/zinc/98/35/40/1413983540.db2.gz SLKGKMTWHGHDFR-MJGOQNOKSA-N -1 0 399.450 3.417 20 30 GGEDRM CCOC(=O)N1CCC[C@@H](C(=O)C(C#N)=C([O-])c2c(C)[nH]c3ccccc32)C1 ZINC000121060933 1413992778 /nfs/dbraw/zinc/99/27/78/1413992778.db2.gz KYRJHTYXYQJQHU-ZBFHGGJFSA-N -1 0 381.432 3.236 20 30 GGEDRM CCOC(=O)N1CCC[C@H](C(=O)C(C#N)=C([O-])c2c(C)[nH]c3ccccc32)C1 ZINC000121060769 1413992780 /nfs/dbraw/zinc/99/27/80/1413992780.db2.gz KYRJHTYXYQJQHU-HOCLYGCPSA-N -1 0 381.432 3.236 20 30 GGEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000121090050 1414003851 /nfs/dbraw/zinc/00/38/51/1414003851.db2.gz VEOBERMRGKCBEX-WMLDXEAASA-N -1 0 377.444 3.159 20 30 GGEDRM CSc1[n-]c(=O)c(C(=O)N(C)Cc2ccccc2C(F)(F)F)cc1C#N ZINC000121108761 1414010271 /nfs/dbraw/zinc/01/02/71/1414010271.db2.gz LEGZYCIIRXAZEE-UHFFFAOYSA-N -1 0 381.379 3.259 20 30 GGEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1csc(-c2ccc(Cl)s2)n1 ZINC000121160491 1414028742 /nfs/dbraw/zinc/02/87/42/1414028742.db2.gz NKQWRYGFTAWXEO-JTQLQIEISA-N -1 0 397.909 3.390 20 30 GGEDRM CSc1[n-]c(=O)c(C(=O)N2CCC[C@H](c3nc4ccccc4o3)C2)cc1C#N ZINC000121163345 1414029744 /nfs/dbraw/zinc/02/97/44/1414029744.db2.gz MJIIQHLOXSVQAQ-LBPRGKRZSA-N -1 0 394.456 3.129 20 30 GGEDRM N#Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N3CCCC3)c2)cc1Cl ZINC000121239291 1414054824 /nfs/dbraw/zinc/05/48/24/1414054824.db2.gz TZMHVQFVOBJMPH-UHFFFAOYSA-N -1 0 389.864 3.248 20 30 GGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)ncn3-c2ccccc2)cn1 ZINC000121345658 1414089435 /nfs/dbraw/zinc/08/94/35/1414089435.db2.gz LKCUZTCBJXDCAC-UHFFFAOYSA-N -1 0 375.413 3.093 20 30 GGEDRM CC(C)NC(=O)C(C#N)=C([O-])c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000121375203 1414099334 /nfs/dbraw/zinc/09/93/34/1414099334.db2.gz PTVPYWRZJDYXBZ-DZGCQCFKSA-N -1 0 395.419 3.010 20 30 GGEDRM C=CCNC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(F)c(C)cc2F)cc1 ZINC000121473577 1414140251 /nfs/dbraw/zinc/14/02/51/1414140251.db2.gz PTICCWJEJZYHMQ-UHFFFAOYSA-N -1 0 381.404 3.382 20 30 GGEDRM O=[N+]([O-])c1cc(C(F)(F)F)ccc1N=NCc1cc(-c2nn[n-]n2)cs1 ZINC000823635515 1428787677 /nfs/dbraw/zinc/78/76/77/1428787677.db2.gz ZOKSGHPCBLEOKF-UHFFFAOYSA-N -1 0 383.315 3.301 20 30 GGEDRM Cc1oc(-c2ccccc2F)nc1C([O-])=C(C#N)C(=O)NCCCOC(C)C ZINC000121605072 1414196417 /nfs/dbraw/zinc/19/64/17/1414196417.db2.gz KRTGTOPEGBZPHJ-OAHLLOKOSA-N -1 0 387.411 3.043 20 30 GGEDRM CN(Cc1cccc(-c2nnn[n-]2)c1)c1c(C#N)cnc2c(F)cc(F)cc21 ZINC000736822741 1428788981 /nfs/dbraw/zinc/78/89/81/1428788981.db2.gz SOOJOHYWIPBLQB-UHFFFAOYSA-N -1 0 377.358 3.201 20 30 GGEDRM Cc1csc(-c2cccc(C(=O)Nc3ccc(C#N)c(-c4nnn[n-]4)c3)c2)n1 ZINC000737448106 1428789304 /nfs/dbraw/zinc/78/93/04/1428789304.db2.gz JWHCBIRLPZUVKT-UHFFFAOYSA-N -1 0 387.428 3.423 20 30 GGEDRM CN(C)c1ccc(C#N)c([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)c1 ZINC000121735292 1414240844 /nfs/dbraw/zinc/24/08/44/1414240844.db2.gz VXDRQFFJMWUUSU-UHFFFAOYSA-N -1 0 394.378 3.316 20 30 GGEDRM Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(N(C)C)ccc1C#N ZINC000121747551 1414244795 /nfs/dbraw/zinc/24/47/95/1414244795.db2.gz YGSMJOPWZXGZNE-UHFFFAOYSA-N -1 0 394.840 3.295 20 30 GGEDRM COc1ccc(CNC(=O)C(C#N)=C([O-])c2cccc(OC(F)(F)F)c2)cc1 ZINC000121816639 1414266982 /nfs/dbraw/zinc/26/69/82/1414266982.db2.gz NNPHNDISINKEGJ-INIZCTEOSA-N -1 0 392.333 3.233 20 30 GGEDRM COc1ccc(CCNC(=O)C(C#N)=C([O-])c2coc(-c3ccccc3)n2)cc1 ZINC000121817749 1414267596 /nfs/dbraw/zinc/26/75/96/1414267596.db2.gz KWBULOHKPVMXGK-SFHVURJKSA-N -1 0 389.411 3.032 20 30 GGEDRM Cc1c(C([O-])=C(C#N)C(=O)NCc2ccccc2)cnn1-c1cc(C)ccc1C ZINC000121948744 1414319170 /nfs/dbraw/zinc/31/91/70/1414319170.db2.gz HNXXJAOEFOSGPE-LJQANCHMSA-N -1 0 386.455 3.436 20 30 GGEDRM N#CCCCOc1cccc([N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])c1 ZINC000121974516 1414328910 /nfs/dbraw/zinc/32/89/10/1414328910.db2.gz FJESTHVIEBEZMO-UHFFFAOYSA-N -1 0 379.369 3.217 20 30 GGEDRM N#Cc1cccc(OCCCCC(=O)OCc2cccc(-c3nn[n-]n3)c2F)c1 ZINC000826387423 1428804270 /nfs/dbraw/zinc/80/42/70/1428804270.db2.gz USIHOKVBFBYPCN-UHFFFAOYSA-N -1 0 395.394 3.170 20 30 GGEDRM Cc1ccc(C([O-])=C(C#N)C(=O)NCCCOC(C)C)cc1Br ZINC000177593640 1428805906 /nfs/dbraw/zinc/80/59/06/1428805906.db2.gz HQYDVFZHVQPQLT-CQSZACIVSA-N -1 0 381.270 3.011 20 30 GGEDRM C=CCNC(=O)C(C#N)=C([O-])c1ccc(C)c(NC(=O)Nc2ccccc2)c1 ZINC000122294686 1414415510 /nfs/dbraw/zinc/41/55/10/1414415510.db2.gz AABUYJVGGFYEGC-KRWDZBQOSA-N -1 0 376.416 3.264 20 30 GGEDRM Cc1ccc(C([O-])=C(C#N)C(=O)NC(C)C)cc1NC(=O)Nc1ccccc1 ZINC000122306830 1414419298 /nfs/dbraw/zinc/41/92/98/1414419298.db2.gz UWKSCUUWKMNGME-KRWDZBQOSA-N -1 0 378.432 3.486 20 30 GGEDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccc(F)cc2OCC#N)cc1C ZINC000122363657 1414435393 /nfs/dbraw/zinc/43/53/93/1414435393.db2.gz KAPHSRNYCMTECD-UHFFFAOYSA-N -1 0 379.369 3.054 20 30 GGEDRM N#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000122364889 1414436152 /nfs/dbraw/zinc/43/61/52/1414436152.db2.gz DPNBBHUKJFXTCZ-UHFFFAOYSA-N -1 0 390.314 3.427 20 30 GGEDRM N#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000122367937 1414437125 /nfs/dbraw/zinc/43/71/25/1414437125.db2.gz JJZJRCQOAFJEGU-UHFFFAOYSA-N -1 0 391.243 3.353 20 30 GGEDRM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1ccc(F)cc1OCC#N ZINC000122395312 1414445631 /nfs/dbraw/zinc/44/56/31/1414445631.db2.gz OPUSGWUBIACBKX-UHFFFAOYSA-N -1 0 379.369 3.054 20 30 GGEDRM N#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(Br)cc1 ZINC000122400602 1414447282 /nfs/dbraw/zinc/44/72/82/1414447282.db2.gz KXNQIBLFHTZMLG-UHFFFAOYSA-N -1 0 385.214 3.291 20 30 GGEDRM CC[C@@H](C#N)NC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000736309593 1428811299 /nfs/dbraw/zinc/81/12/99/1428811299.db2.gz QGYRHQFNWFFJMX-ZDUSSCGKSA-N -1 0 382.811 3.344 20 30 GGEDRM Cn1ccnc1C(=O)C(C#N)=C([O-])c1cccc(OCc2ccccc2C#N)c1 ZINC000122496687 1414482035 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CCOc1ccc(-c2nc(C([O-])=C(C#N)C(=O)c3nccn3C)cs2)cc1 ZINC000122668961 1414533651 /nfs/dbraw/zinc/53/36/51/1414533651.db2.gz ITVNIVBMRWKNTQ-AWEZNQCLSA-N -1 0 380.429 3.148 20 30 GGEDRM Cc1cc2cc(C([O-])=C(C#N)C(=O)N3CCCC3)oc2c(Br)c1 ZINC000122671281 1414534405 /nfs/dbraw/zinc/53/44/05/1414534405.db2.gz WGBKXHVZHFKMKW-LBPRGKRZSA-N -1 0 375.222 3.449 20 30 GGEDRM Cc1ccc(OCc2ccc(C([O-])=C(C#N)C(=O)c3nccn3C)o2)c(C)c1 ZINC000122782292 1414563766 /nfs/dbraw/zinc/56/37/66/1414563766.db2.gz APVYNGNOKPPBDW-MRXNPFEDSA-N -1 0 377.400 3.414 20 30 GGEDRM CCCOc1c(Cl)cc(C([O-])=C(C#N)C(=O)c2nccn2C)cc1OCC ZINC000122843624 1414578758 /nfs/dbraw/zinc/57/87/58/1414578758.db2.gz RJDVYJSXESDFMC-CYBMUJFWSA-N -1 0 389.839 3.466 20 30 GGEDRM C=CCn1c(=O)c2ccc(C(=O)N(C)[C@H](C)c3cccc(O)c3)cc2[n-]c1=S ZINC000177641446 1428819851 /nfs/dbraw/zinc/81/98/51/1428819851.db2.gz NTMYYDIXIDXRAA-CYBMUJFWSA-N -1 0 395.484 3.410 20 30 GGEDRM C=CCn1c(=O)c2ccc(C(=O)N(C)[C@@H](C)c3cccc(O)c3)cc2[n-]c1=S ZINC000177641435 1428820030 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1414670270 /nfs/dbraw/zinc/67/02/70/1414670270.db2.gz PUKLLYFCNONFOT-JTQLQIEISA-N -1 0 390.877 3.393 20 30 GGEDRM Cn1ccnc1C([O-])=C(C#N)C(=O)CCCc1nc(-c2ccc(Cl)cc2)no1 ZINC000123215767 1414670327 /nfs/dbraw/zinc/67/03/27/1414670327.db2.gz VZCJPQUEYHDRPZ-AWEZNQCLSA-N -1 0 397.822 3.038 20 30 GGEDRM Cn1ccnc1C(=O)C(C#N)=C([O-])c1ccn(-c2ccc(Cl)c(Cl)c2)n1 ZINC000123231840 1414674110 /nfs/dbraw/zinc/67/41/10/1414674110.db2.gz WOGVJAMHCKOZGC-NSHDSACASA-N -1 0 388.214 3.118 20 30 GGEDRM Cn1ccnc1C(=O)C(C#N)=C([O-])c1cccc(COc2cccc(C#N)c2)c1 ZINC000123237118 1414675149 /nfs/dbraw/zinc/67/51/49/1414675149.db2.gz JRHDYINMKRRGIF-LJQANCHMSA-N -1 0 384.395 3.076 20 30 GGEDRM C=C(C)Cn1c(SCC(=O)[N-]OCc2ccccc2)nnc1-c1ccncc1 ZINC000123348421 1414702472 /nfs/dbraw/zinc/70/24/72/1414702472.db2.gz DNVVITFSOBPHHW-UHFFFAOYSA-N -1 0 395.488 3.256 20 30 GGEDRM Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)N[C@@H](C)c1ccc(C#N)cc1 ZINC000123720140 1414815285 /nfs/dbraw/zinc/81/52/85/1414815285.db2.gz JZXJYWRDOSOZGO-NSHDSACASA-N 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C=CCN(CC=C)C(=O)c1ccc2c(c1)[n-]c(=S)n(Cc1ccco1)c2=O ZINC000124067948 1414879836 /nfs/dbraw/zinc/87/98/36/1414879836.db2.gz XNMGOFMXSJSISM-UHFFFAOYSA-N -1 0 381.457 3.141 20 30 GGEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1ccc(-c2nc3ccccc3s2)o1 ZINC000124226845 1414914073 /nfs/dbraw/zinc/91/40/73/1414914073.db2.gz XBOOOEMFYNBGGV-CYBMUJFWSA-N -1 0 397.456 3.422 20 30 GGEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1ccc(-c2nc3ccccc3s2)o1 ZINC000124226618 1414914138 /nfs/dbraw/zinc/91/41/38/1414914138.db2.gz XBOOOEMFYNBGGV-ZDUSSCGKSA-N -1 0 397.456 3.422 20 30 GGEDRM CC(C)c1csc([C@@H](C#N)C(=O)c2ccc3c(c2)[n-]c(=S)n(C)c3=O)n1 ZINC000177742963 1428847607 /nfs/dbraw/zinc/84/76/07/1428847607.db2.gz BOBWXVJPOGUNSJ-LBPRGKRZSA-N -1 0 384.486 3.292 20 30 GGEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1csc(-c2ccc(Cl)cc2)n1 ZINC000124271496 1414926631 /nfs/dbraw/zinc/92/66/31/1414926631.db2.gz AEUDFDQBEZXXCB-CQSZACIVSA-N -1 0 391.880 3.329 20 30 GGEDRM CCCCSCCC(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000124294308 1414931497 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20 30 GGEDRM C[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)c1ccccc1 ZINC000124510057 1414984254 /nfs/dbraw/zinc/98/42/54/1414984254.db2.gz KZQHJKOYPSYGRP-LLVKDONJSA-N -1 0 382.363 3.186 20 30 GGEDRM CC(C)n1ncc2c1nc(-c1ccco1)cc2C([O-])=C(C#N)C(=O)N1CCCC1 ZINC000124621859 1415007016 /nfs/dbraw/zinc/00/70/16/1415007016.db2.gz XCBBDHOPINCNPJ-OAHLLOKOSA-N -1 0 391.431 3.217 20 30 GGEDRM COCCCNC(=O)C(C#N)=C([O-])c1sc(-c2ccc(Cl)s2)nc1C ZINC000124754565 1415037065 /nfs/dbraw/zinc/03/70/65/1415037065.db2.gz QKOXAAJSKVXRMY-SNVBAGLBSA-N -1 0 397.909 3.309 20 30 GGEDRM Cc1cc(Br)cc2cc(C([O-])=C(C#N)C(=O)c3nccn3C)oc21 ZINC000124802652 1415047033 /nfs/dbraw/zinc/04/70/33/1415047033.db2.gz LUWMCLIRQORXEX-LBPRGKRZSA-N -1 0 386.205 3.443 20 30 GGEDRM CC(C)COC[C@@H]([N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)c1ccco1 ZINC000124867537 1415062786 /nfs/dbraw/zinc/06/27/86/1415062786.db2.gz RVFISNIGCXJRDX-OAHLLOKOSA-N -1 0 384.404 3.122 20 30 GGEDRM CC1=CC(=O)C(=C([O-])C=Cc2cn(-c3ccccc3)nc2C(C)(C)C)C(=O)O1 ZINC000124876728 1415064567 /nfs/dbraw/zinc/06/45/67/1415064567.db2.gz ICFNXRGHBGTCDC-VYENPZKTSA-N -1 0 378.428 3.398 20 30 GGEDRM COCCCNC(=O)C(C#N)=C([O-])c1cc2c(s1)CC[C@H](C(C)(C)C)C2 ZINC000125012378 1415091745 /nfs/dbraw/zinc/09/17/45/1415091745.db2.gz YIWIWFPWGSHEMU-GJZGRUSLSA-N -1 0 376.522 3.374 20 30 GGEDRM COCCCNC(=O)C(C#N)=C([O-])c1ccc(-c2nc3ccccc3s2)o1 ZINC000125013033 1415091785 /nfs/dbraw/zinc/09/17/85/1415091785.db2.gz JLJRBWOQCLKAAR-LBPRGKRZSA-N -1 0 383.429 3.031 20 30 GGEDRM COCCCNC(=O)C(C#N)=C([O-])c1sc(-c2cccc(Cl)c2)nc1C ZINC000125051929 1415100188 /nfs/dbraw/zinc/10/01/88/1415100188.db2.gz IIECHCGQVXEWRP-AWEZNQCLSA-N -1 0 391.880 3.247 20 30 GGEDRM COCCCNC(=O)C(C#N)=C([O-])c1cc(-c2ccc(OC)cc2)c(C)s1 ZINC000125118870 1415112839 /nfs/dbraw/zinc/11/28/39/1415112839.db2.gz KZNZCBWHPQICJD-QGZVFWFLSA-N -1 0 386.473 3.207 20 30 GGEDRM COCCCNC(=O)C(C#N)=C([O-])c1ccc(CSc2ccccc2)cc1 ZINC000125117334 1415112863 /nfs/dbraw/zinc/11/28/63/1415112863.db2.gz PHRVBSREGBNRDJ-LJQANCHMSA-N -1 0 382.485 3.454 20 30 GGEDRM N#Cc1cc(F)c(S(=O)(=O)[N-][C@H](c2nccs2)c2ccccc2)c(F)c1 ZINC000125122732 1415113592 /nfs/dbraw/zinc/11/35/92/1415113592.db2.gz KGZDMDZPLXUDHL-HNNXBMFYSA-N -1 0 391.424 3.361 20 30 GGEDRM COCCCNC(=O)C(C#N)=C([O-])c1ccc(SCc2ccccc2)cc1 ZINC000125206277 1415130397 /nfs/dbraw/zinc/13/03/97/1415130397.db2.gz SKFYHYMYLQEUKM-IBGZPJMESA-N -1 0 382.485 3.454 20 30 GGEDRM CC(C)OCCCNC(=O)C(C#N)=C([O-])c1csc(-c2ccc(F)cc2)n1 ZINC000125484757 1415212444 /nfs/dbraw/zinc/21/24/44/1415212444.db2.gz XRSQCYLCSOGBED-OAHLLOKOSA-N -1 0 389.452 3.203 20 30 GGEDRM Cc1nc(Cc2ccccc2)sc1C([O-])=C(C#N)C(=O)NCCCOC(C)C ZINC000125551310 1415224895 /nfs/dbraw/zinc/22/48/95/1415224895.db2.gz FIEWNSKJAGNEBC-KRWDZBQOSA-N -1 0 399.516 3.296 20 30 GGEDRM Cc1ccc(-c2nc(C)c(C([O-])=C(C#N)C(=O)NCCCOC(C)C)s2)o1 ZINC000125553387 1415225448 /nfs/dbraw/zinc/22/54/48/1415225448.db2.gz ZKPMNIDQXFAWGM-CQSZACIVSA-N -1 0 389.477 3.274 20 30 GGEDRM C[C@H](NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)c1cccc(C#N)c1 ZINC000820321952 1428870332 /nfs/dbraw/zinc/87/03/32/1428870332.db2.gz OREROIVLYOOOOE-HNNXBMFYSA-N -1 0 390.447 3.165 20 30 GGEDRM N#Cc1cccc(OCCCCC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000737730278 1428886071 /nfs/dbraw/zinc/88/60/71/1428886071.db2.gz HWNGRRQAORXOAS-UHFFFAOYSA-N -1 0 380.383 3.065 20 30 GGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2nc(-c3ccc4c(c3)CCO4)cs2)cc1 ZINC000125964094 1415323656 /nfs/dbraw/zinc/32/36/56/1415323656.db2.gz QLABBCIXFZTMJK-UHFFFAOYSA-N -1 0 383.454 3.417 20 30 GGEDRM CC[C@@H](C#N)NC(=O)c1ccccc1SCc1ccc(-c2nn[n-]n2)cc1 ZINC000825038780 1428904059 /nfs/dbraw/zinc/90/40/59/1428904059.db2.gz IDEGRFUBGIFGQQ-HNNXBMFYSA-N -1 0 378.461 3.191 20 30 GGEDRM COc1cc(CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)ccc1OC(C)C ZINC000826179103 1428917231 /nfs/dbraw/zinc/91/72/31/1428917231.db2.gz ZIQJKAQODFVRNZ-UHFFFAOYSA-N -1 0 387.831 3.157 20 30 GGEDRM N#CCc1ccc([N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])cc1 ZINC000126164393 1415374496 /nfs/dbraw/zinc/37/44/96/1415374496.db2.gz PNAHPTYIILZZGG-UHFFFAOYSA-N -1 0 396.222 3.224 20 30 GGEDRM COc1ccccc1-c1nc(C([O-])=C(C#N)C(=O)NCc2ccccc2)cs1 ZINC000126245316 1415392817 /nfs/dbraw/zinc/39/28/17/1415392817.db2.gz QWCYOSUQTRTHKI-MRXNPFEDSA-N -1 0 391.452 3.458 20 30 GGEDRM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ncccc1C(F)(F)F ZINC000823914911 1428908177 /nfs/dbraw/zinc/90/81/77/1428908177.db2.gz OKGWMATYNALJAF-UHFFFAOYSA-N -1 0 388.353 3.109 20 30 GGEDRM CNC(=O)C(C#N)=C([O-])c1cn(CCOc2ccccc2Cl)c2ccccc12 ZINC000126265514 1415398259 /nfs/dbraw/zinc/39/82/59/1415398259.db2.gz ZKSWNGSYEVAJTD-HNNXBMFYSA-N -1 0 395.846 3.442 20 30 GGEDRM Cc1ccccc1-n1nc(C(=O)[C@H](C#N)C(=O)Nc2ccccn2)c2c1CCC2 ZINC000126313851 1415415670 /nfs/dbraw/zinc/41/56/70/1415415670.db2.gz BBOMPATYCMFNOY-INIZCTEOSA-N -1 0 385.427 3.026 20 30 GGEDRM C=C(C)[C@H](CC(=O)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1)OCC ZINC000823874461 1428913343 /nfs/dbraw/zinc/91/33/43/1428913343.db2.gz XEDDUGQVKUJLJL-INIZCTEOSA-N -1 0 398.492 3.224 20 30 GGEDRM C[C@@H](C#N)CNC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000819844495 1428934669 /nfs/dbraw/zinc/93/46/69/1428934669.db2.gz ITCPFRRCOVETOF-NSHDSACASA-N -1 0 381.371 3.079 20 30 GGEDRM CC1(OCC(=O)[C@@H](C#N)c2nc(-c3ccc(-c4nn[n-]n4)cc3)cs2)CCC1 ZINC000820628622 1428940022 /nfs/dbraw/zinc/94/00/22/1428940022.db2.gz JSWQCSZUNMDBEJ-CQSZACIVSA-N -1 0 394.460 3.126 20 30 GGEDRM Cc1c(C(=O)C=Cc2cccnc2Cl)cnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737202448 1428951137 /nfs/dbraw/zinc/95/11/37/1428951137.db2.gz MMOGXAOSSCRMBM-TWGQIWQCSA-N -1 0 391.822 3.305 20 30 GGEDRM CC[C@H](/N=C\c1cc([N+](=O)[O-])ccc1[O-])c1ccccc1OCC(=O)N(C)C ZINC000126889436 1415596334 /nfs/dbraw/zinc/59/63/34/1415596334.db2.gz AWTILAUCFGYOGU-WCEBZYJUSA-N -1 0 385.420 3.338 20 30 GGEDRM N#CC(C(=O)NCc1ccccc1)=C([O-])c1csc(Cc2ccccc2)n1 ZINC000126967512 1415620345 /nfs/dbraw/zinc/62/03/45/1415620345.db2.gz OGGHYYKKVSUDTG-KRWDZBQOSA-N -1 0 375.453 3.373 20 30 GGEDRM N#CC(C(=O)NCc1ccccc1)=C([O-])c1cccc(NC(=O)c2ccco2)c1 ZINC000126981314 1415624875 /nfs/dbraw/zinc/62/48/75/1415624875.db2.gz MLAORSYPVSWLAL-GOSISDBHSA-N -1 0 387.395 3.171 20 30 GGEDRM C=CCn1c(=O)c2ccc(C(=O)N[C@H]3CCC[C@H]3SCC)cc2[n-]c1=S ZINC000178069628 1428968164 /nfs/dbraw/zinc/96/81/64/1428968164.db2.gz GMQPMCPWPKFZRH-GOEBONIOSA-N -1 0 389.546 3.275 20 30 GGEDRM C=CCn1c(=O)c2ccc(C(=O)N[C@@H]3CCC[C@H]3SCC)cc2[n-]c1=S ZINC000178069647 1428968485 /nfs/dbraw/zinc/96/84/85/1428968485.db2.gz GMQPMCPWPKFZRH-GDBMZVCRSA-N -1 0 389.546 3.275 20 30 GGEDRM COc1cccc(NC(=O)C(C#N)=C([O-])c2sccc2Br)c1 ZINC000127153251 1415673154 /nfs/dbraw/zinc/67/31/54/1415673154.db2.gz QPONMJLOIXMMAW-LLVKDONJSA-N -1 0 379.235 3.480 20 30 GGEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1ccc(I)cc1 ZINC000127228851 1415694761 /nfs/dbraw/zinc/69/47/61/1415694761.db2.gz KNYVQULAOOOATQ-CQSZACIVSA-N -1 0 396.228 3.063 20 30 GGEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1ccc(I)cc1 ZINC000127229105 1415695407 /nfs/dbraw/zinc/69/54/07/1415695407.db2.gz KNYVQULAOOOATQ-AWEZNQCLSA-N -1 0 396.228 3.063 20 30 GGEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)/C=C/c2cccs2)c(C(F)(F)F)c1 ZINC000127463599 1415789207 /nfs/dbraw/zinc/78/92/07/1415789207.db2.gz DLPRVBLJRAICET-GQCTYLIASA-N -1 0 386.376 3.157 20 30 GGEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)/C=C\c2cccc(F)c2)c(C(F)(F)F)c1 ZINC000127475665 1415794343 /nfs/dbraw/zinc/79/43/43/1415794343.db2.gz YKTVLHOHZDBDID-ALCCZGGFSA-N -1 0 398.337 3.234 20 30 GGEDRM CSc1[n-]c(=O)c(C(=O)N[C@H]2CCCC[C@@H]2Oc2ccccc2C)cc1C#N ZINC000127511308 1415802899 /nfs/dbraw/zinc/80/28/99/1415802899.db2.gz NSVVTKWIOGIFPU-WMZOPIPTSA-N -1 0 397.500 3.397 20 30 GGEDRM CSc1[n-]c(=O)c(C(=O)N[C@@H]2CCCC[C@@H]2Oc2ccccc2C)cc1C#N ZINC000127511742 1415803275 /nfs/dbraw/zinc/80/32/75/1415803275.db2.gz NSVVTKWIOGIFPU-AEFFLSMTSA-N -1 0 397.500 3.397 20 30 GGEDRM COc1ccc(COc2ccc(Br)cc2C#N)cc1-c1nn[n-]n1 ZINC000826207119 1428999189 /nfs/dbraw/zinc/99/91/89/1428999189.db2.gz ATLYHKUPVWGHGO-UHFFFAOYSA-N -1 0 386.209 3.088 20 30 GGEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000127682500 1415832511 /nfs/dbraw/zinc/83/25/11/1415832511.db2.gz FZOYTTCDLPWJNP-CQSZACIVSA-N -1 0 384.417 3.100 20 30 GGEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000127682933 1415832564 /nfs/dbraw/zinc/83/25/64/1415832564.db2.gz XCZMPLRZRPBPPO-CQSZACIVSA-N -1 0 384.417 3.100 20 30 GGEDRM CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000178169887 1429005537 /nfs/dbraw/zinc/00/55/37/1429005537.db2.gz NGKIAHUNRLBRJH-UHFFFAOYSA-N -1 0 375.406 3.283 20 30 GGEDRM COCCOc1ccc(C(C)=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000826162754 1429027910 /nfs/dbraw/zinc/02/79/10/1429027910.db2.gz QWBBCSOXFQHUOV-UHFFFAOYSA-N -1 0 386.843 3.381 20 30 GGEDRM N#Cc1c(CN2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)cn2ccccc12 ZINC000826382914 1429019538 /nfs/dbraw/zinc/01/95/38/1429019538.db2.gz AMWOCZZCUASHEF-UHFFFAOYSA-N -1 0 381.443 3.280 20 30 GGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2c(-c3ccco3)nc3ccccn32)c(F)c1 ZINC000128486658 1415997935 /nfs/dbraw/zinc/99/79/35/1415997935.db2.gz NKPJAYGOAGSVQW-UHFFFAOYSA-N -1 0 382.376 3.406 20 30 GGEDRM CS(=O)(=O)Cc1cccc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)c1 ZINC000128827359 1416078730 /nfs/dbraw/zinc/07/87/30/1416078730.db2.gz NLPOHYUCHIJBCA-INIZCTEOSA-N -1 0 397.481 3.240 20 30 GGEDRM COc1ccc(CCNC(=O)C(C#N)=C([O-])c2ccc(Cl)cc2)cc1OC ZINC000128844086 1416083499 /nfs/dbraw/zinc/08/34/99/1416083499.db2.gz PPXVUAONAIPPDC-INIZCTEOSA-N -1 0 386.835 3.039 20 30 GGEDRM COc1ccc(CCNC(=O)C(C#N)=C([O-])c2ccc(C)cc2C)cc1OC ZINC000128855717 1416086102 /nfs/dbraw/zinc/08/61/02/1416086102.db2.gz HTEVANNZPNJNAL-SFHVURJKSA-N -1 0 380.444 3.002 20 30 GGEDRM Cc1ccc(S(C)(=O)=O)cc1C([O-])=C(C#N)c1nc(-c2ccncc2)cs1 ZINC000128861011 1416087009 /nfs/dbraw/zinc/08/70/09/1416087009.db2.gz GUMNUMIYHNEDDW-MRXNPFEDSA-N -1 0 397.481 3.407 20 30 GGEDRM COc1ccc(CCNC(=O)C(C#N)=C([O-])c2cc(C)c(C)s2)cc1OC ZINC000128863536 1416087359 /nfs/dbraw/zinc/08/73/59/1416087359.db2.gz YDMNKYBRCHZPNW-HNNXBMFYSA-N -1 0 386.473 3.064 20 30 GGEDRM N#C[C@@H](NC(=O)Cc1cccc(-c2nn[n-]n2)c1)c1ccc(Cl)c(Cl)c1 ZINC000822801637 1429048990 /nfs/dbraw/zinc/04/89/90/1429048990.db2.gz LOFBWXHDDQGXEN-OAHLLOKOSA-N -1 0 387.230 3.097 20 30 GGEDRM CC(C)CNC(=O)c1ccc([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)cc1 ZINC000129087639 1416141906 /nfs/dbraw/zinc/14/19/06/1416141906.db2.gz JKARHSDKSSUJHR-UHFFFAOYSA-N -1 0 393.415 3.023 20 30 GGEDRM N#CC(C(=O)NC1CC1)=C([O-])c1ccc(Cl)c(NC(=O)c2cccs2)c1 ZINC000129110750 1416147086 /nfs/dbraw/zinc/14/70/86/1416147086.db2.gz YHRPSQRGAWLSNU-GFCCVEGCSA-N -1 0 387.848 3.255 20 30 GGEDRM CC[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)cc1 ZINC000129253871 1416180455 /nfs/dbraw/zinc/18/04/55/1416180455.db2.gz OJGCDACDVDPGQE-LLVKDONJSA-N -1 0 393.415 3.166 20 30 GGEDRM N#CC(C(=O)NC1CC1)=C([O-])c1cc2ccccc2n1Cc1ccccc1F ZINC000129581657 1416232075 /nfs/dbraw/zinc/23/20/75/1416232075.db2.gz TWRRYJQVSXDHCF-KRWDZBQOSA-N -1 0 375.403 3.430 20 30 GGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cc(Br)cc([N+](=O)[O-])c1 ZINC000129656760 1416244003 /nfs/dbraw/zinc/24/40/03/1416244003.db2.gz FINKQRDXKKNLJO-AWEZNQCLSA-N -1 0 396.241 3.376 20 30 GGEDRM N#Cc1ccccc1C=CC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826387149 1429081633 /nfs/dbraw/zinc/08/16/33/1429081633.db2.gz INAOXPQPMJTBPD-MDZDMXLPSA-N -1 0 382.427 3.067 20 30 GGEDRM Cc1ccc(OCCCC(=O)[N-]S(=O)(=O)c2ccc(C#N)cc2)c(Cl)c1 ZINC000129878589 1416278656 /nfs/dbraw/zinc/27/86/56/1416278656.db2.gz MMKCEAWEJWQXPV-UHFFFAOYSA-N -1 0 392.864 3.184 20 30 GGEDRM N#CC(=C([O-])c1ccc(C(N)=O)nc1)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000129884215 1416279528 /nfs/dbraw/zinc/27/95/28/1416279528.db2.gz OFJQKMOGLRNQIB-CYBMUJFWSA-N -1 0 382.832 3.447 20 30 GGEDRM Cc1cc([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)ccc1C(=O)NC(C)C ZINC000129971161 1416293507 /nfs/dbraw/zinc/29/35/07/1416293507.db2.gz ZWRDXPLVYVRFNR-UHFFFAOYSA-N -1 0 393.415 3.084 20 30 GGEDRM CC(C)c1cccc(S(=O)(=O)[N-]C(=O)CSCc2ccc(C#N)cc2)c1 ZINC000130176177 1416332923 /nfs/dbraw/zinc/33/29/23/1416332923.db2.gz TYAUTANNINVFRA-UHFFFAOYSA-N -1 0 388.514 3.420 20 30 GGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)cc2)c([N+](=O)[O-])c1 ZINC000130299299 1416354090 /nfs/dbraw/zinc/35/40/90/1416354090.db2.gz HUUCHGBKDKWOPM-UHFFFAOYSA-N -1 0 387.295 3.166 20 30 GGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(N)c(Cl)c2)c([N+](=O)[O-])c1 ZINC000130314787 1416356251 /nfs/dbraw/zinc/35/62/51/1416356251.db2.gz XJNBWBJUJVIXQH-UHFFFAOYSA-N -1 0 387.204 3.156 20 30 GGEDRM C[C@H](NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)c1ccc(C#N)cc1 ZINC000736117861 1429090528 /nfs/dbraw/zinc/09/05/28/1429090528.db2.gz LHKVWHOJHFYSGF-JTQLQIEISA-N -1 0 399.361 3.222 20 30 GGEDRM CNC(=O)c1cc(C)ccc1[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000130487042 1416387046 /nfs/dbraw/zinc/38/70/46/1416387046.db2.gz JSNQGFVEKQBIJU-UHFFFAOYSA-N -1 0 397.378 3.046 20 30 GGEDRM CNC(=O)c1cc(C)ccc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000130494445 1416388486 /nfs/dbraw/zinc/38/84/86/1416388486.db2.gz UYSGNSKHEUZEJH-UHFFFAOYSA-N -1 0 397.378 3.046 20 30 GGEDRM CCCOc1c(Br)cc(C([O-])=C(C#N)C(=O)NC(C)C)cc1OC ZINC000130591554 1416405904 /nfs/dbraw/zinc/40/59/04/1416405904.db2.gz JAWAMCFRJHDURJ-LBPRGKRZSA-N -1 0 397.269 3.094 20 30 GGEDRM CC(C)NC(=O)C(C#N)=C([O-])c1cc(-c2ccco2)nc2c1cnn2C(C)C ZINC000130754682 1416442735 /nfs/dbraw/zinc/44/27/35/1416442735.db2.gz FQRMSMDIUQCWEB-CQSZACIVSA-N -1 0 379.420 3.119 20 30 GGEDRM Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)cc1OCC#N ZINC000130926596 1416482280 /nfs/dbraw/zinc/48/22/80/1416482280.db2.gz RFSKXBUICVVSIN-UHFFFAOYSA-N -1 0 399.787 3.399 20 30 GGEDRM Cc1ccc(C([O-])=C(C#N)C(=O)NC(C)C)cc1NC(=O)c1ccccc1F ZINC000130963497 1416488220 /nfs/dbraw/zinc/48/82/20/1416488220.db2.gz LKSFKWXBQNFBOV-INIZCTEOSA-N -1 0 381.407 3.234 20 30 GGEDRM Cc1ccc(Nc2cccc(C([O-])=C(C#N)C(=O)NCc3ccccc3)c2)nn1 ZINC000130986729 1416491925 /nfs/dbraw/zinc/49/19/25/1416491925.db2.gz BYOXQKIEIORKSG-IBGZPJMESA-N -1 0 385.427 3.168 20 30 GGEDRM Cc1ccc(Nc2cccc(C([O-])=C(C#N)C(=O)NC3CCCCC3)c2)nn1 ZINC000130990869 1416492194 /nfs/dbraw/zinc/49/21/94/1416492194.db2.gz AIAOSWPDGJHHTH-GOSISDBHSA-N -1 0 377.448 3.300 20 30 GGEDRM Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C([O-])=C(C#N)C(=O)NC(C)C)c12 ZINC000131070972 1416504265 /nfs/dbraw/zinc/50/42/65/1416504265.db2.gz ADNIXUBELWXNMN-HNNXBMFYSA-N -1 0 381.480 3.219 20 30 GGEDRM Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C([O-])=C(C#N)C(=O)NC(C)C)c12 ZINC000131070768 1416504448 /nfs/dbraw/zinc/50/44/48/1416504448.db2.gz ADNIXUBELWXNMN-OAHLLOKOSA-N -1 0 381.480 3.219 20 30 GGEDRM CSc1[n-]c(=O)c(C(=O)N(C)CCCOc2ccc(Cl)cc2)cc1C#N ZINC000131339179 1416542281 /nfs/dbraw/zinc/54/22/81/1416542281.db2.gz HANSLCKDRSWZLF-UHFFFAOYSA-N -1 0 391.880 3.163 20 30 GGEDRM CCCNc1ccc(C#N)cc1NC(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1 ZINC000131575523 1416578024 /nfs/dbraw/zinc/57/80/24/1416578024.db2.gz URSCHLFQVVGUCW-UHFFFAOYSA-N -1 0 375.432 3.420 20 30 GGEDRM O=S(=O)([N-]c1cccc(C#Cc2ccccc2)c1)c1cnn([C@@H]2CCOC2)c1 ZINC000131799860 1416623425 /nfs/dbraw/zinc/62/34/25/1416623425.db2.gz WCBDSPDBEVWYSP-HXUWFJFHSA-N 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ZINC000826379484 1429159308 /nfs/dbraw/zinc/15/93/08/1429159308.db2.gz SQYOZUZYTGFQKA-SECBINFHSA-N -1 0 397.370 3.087 20 30 GGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3[nH]c(-c4cccs4)nc3c2)cn1 ZINC000135497988 1417229239 /nfs/dbraw/zinc/22/92/39/1417229239.db2.gz GEQGGHTXIFPPOC-UHFFFAOYSA-N -1 0 381.442 3.359 20 30 GGEDRM COc1ccc(-c2nnc([N-]S(=O)(=O)c3ccc(CC#N)cc3)s2)cc1 ZINC000135982104 1417283973 /nfs/dbraw/zinc/28/39/73/1417283973.db2.gz GSSYKSNYHNFLCD-UHFFFAOYSA-N -1 0 386.458 3.081 20 30 GGEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)CCn2ccc3cc(Cl)ccc32)cc1 ZINC000136031836 1417287185 /nfs/dbraw/zinc/28/71/85/1417287185.db2.gz AQZMPVSTYRZNLI-UHFFFAOYSA-N -1 0 387.848 3.062 20 30 GGEDRM CCS(=O)(=O)c1cccc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)c1 ZINC000136256939 1417305752 /nfs/dbraw/zinc/30/57/52/1417305752.db2.gz OOWOLQNJDCENCE-AWEZNQCLSA-N -1 0 382.363 3.384 20 30 GGEDRM Cc1ccc(-c2nc(C([O-])=C(C#N)C(=O)NCc3ccccc3)cs2)n1C ZINC000136568400 1417327254 /nfs/dbraw/zinc/32/72/54/1417327254.db2.gz 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CCCOc1c(Cl)cc(C(=O)[C@H](C#N)C(=O)Nc2ccccn2)cc1OC ZINC000138967167 1417443746 /nfs/dbraw/zinc/44/37/46/1417443746.db2.gz MZUVQMNNIKDDLY-ZDUSSCGKSA-N -1 0 387.823 3.494 20 30 GGEDRM CCCCCCC[C@]1(C)NC(=O)N([N-]C(=O)c2cc(C)cc([N+](=O)[O-])c2)C1=O ZINC000139716630 1417470288 /nfs/dbraw/zinc/47/02/88/1417470288.db2.gz XHOYIPISOWGXEC-IBGZPJMESA-N -1 0 390.440 3.219 20 30 GGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000140222581 1417492832 /nfs/dbraw/zinc/49/28/32/1417492832.db2.gz WVRKZJCGQUIBFZ-AWEZNQCLSA-N -1 0 386.433 3.347 20 30 GGEDRM C[C@@H](Sc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000736189071 1429196187 /nfs/dbraw/zinc/19/61/87/1429196187.db2.gz AIPCUDLFNJBCLZ-SNVBAGLBSA-N -1 0 396.501 3.408 20 30 GGEDRM Cc1[nH]c2ccccc2c1C(=O)C(C#N)=C([O-])c1ccc(C)c(S(C)(=O)=O)c1 ZINC000147636821 1417750567 /nfs/dbraw/zinc/75/05/67/1417750567.db2.gz RTJDBVLPEPIXQI-INIZCTEOSA-N -1 0 394.452 3.394 20 30 GGEDRM CCCn1c2ccc(-c3nnn[n-]3)cc2nc1-c1ccc(OCC#N)c(OC)c1 ZINC000825351449 1429207363 /nfs/dbraw/zinc/20/73/63/1429207363.db2.gz FDFAZIGZSPHXJH-UHFFFAOYSA-N -1 0 389.419 3.204 20 30 GGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cc2c(c(Br)c1)OCO2 ZINC000148949947 1417770540 /nfs/dbraw/zinc/77/05/40/1417770540.db2.gz VFVYREGVHJRJCH-GFCCVEGCSA-N -1 0 395.253 3.197 20 30 GGEDRM N#Cc1cccc(S(=O)(=O)Nc2ccc3[nH]c(-c4ccccn4)nc3c2)c1 ZINC000150973999 1417846701 /nfs/dbraw/zinc/84/67/01/1417846701.db2.gz AMKFFDCPKNIXRY-UHFFFAOYSA-N -1 0 375.413 3.297 20 30 GGEDRM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000151288986 1417916396 /nfs/dbraw/zinc/91/63/96/1417916396.db2.gz PZWGEMLTHVAFNX-AWEZNQCLSA-N -1 0 381.461 3.171 20 30 GGEDRM Cc1c(C(F)(F)F)cccc1S(=O)(=O)[N-]C(=O)CCc1ccc(C#N)cc1 ZINC000178968193 1429230730 /nfs/dbraw/zinc/23/07/30/1429230730.db2.gz MXQWIPWRFQGYIF-UHFFFAOYSA-N -1 0 396.390 3.323 20 30 GGEDRM CCCC[C@H](CC)C(=O)[N-]S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000151727022 1418072410 /nfs/dbraw/zinc/07/24/10/1418072410.db2.gz ICJDPGJHNYEDHX-LBPRGKRZSA-N -1 0 387.299 3.342 20 30 GGEDRM CC(C)(C)CCCC(=O)[N-]S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000151728842 1418072819 /nfs/dbraw/zinc/07/28/19/1418072819.db2.gz SUVBNCYNWMFVJN-UHFFFAOYSA-N -1 0 387.299 3.342 20 30 GGEDRM C[C@@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000151735921 1418074820 /nfs/dbraw/zinc/07/48/20/1418074820.db2.gz DBRINSFVKAIYMY-NSHDSACASA-N -1 0 399.310 3.342 20 30 GGEDRM Cc1c(C#N)cccc1[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000179026530 1429245388 /nfs/dbraw/zinc/24/53/88/1429245388.db2.gz OFXGRZULCVXGKB-UHFFFAOYSA-N -1 0 396.222 3.338 20 30 GGEDRM COc1cc(/C=C/C(=O)c2ncc(Br)s2)cc([N+](=O)[O-])c1[O-] ZINC000179091435 1429259121 /nfs/dbraw/zinc/25/91/21/1429259121.db2.gz QCHWSPJIQLOYOG-NSCUHMNNSA-N -1 0 385.195 3.424 20 30 GGEDRM C=C[C@H](CC(=O)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cn1)c1ccccc1 ZINC000179189012 1429290215 /nfs/dbraw/zinc/29/02/15/1429290215.db2.gz OWZSPJPBIIAWKI-GFCCVEGCSA-N -1 0 384.379 3.265 20 30 GGEDRM C=CCOc1ccc(OC(=O)[C@H](Oc2ccccc2-c2nn[n-]n2)C(C)C)cc1 ZINC000819759233 1429297656 /nfs/dbraw/zinc/29/76/56/1429297656.db2.gz QHWQMQJQUPJRCE-LJQANCHMSA-N -1 0 394.431 3.441 20 30 GGEDRM C=C(C)Cn1c(SCc2cccc(-c3nn[n-]n3)c2)nnc1-c1ccncc1 ZINC000819722792 1429300047 /nfs/dbraw/zinc/30/00/47/1429300047.db2.gz QVWDZKZTYMWUMC-UHFFFAOYSA-N -1 0 390.476 3.389 20 30 GGEDRM CC[C@H](C#N)Oc1cccc(CNc2c3ccccc3nnc2-c2nn[n-]n2)c1 ZINC000736308179 1429336944 /nfs/dbraw/zinc/33/69/44/1429336944.db2.gz ACGOIOVQEVPZTJ-CQSZACIVSA-N -1 0 386.419 3.103 20 30 GGEDRM N#Cc1cccc(-c2nnc(COc3cc(Cl)ccc3-c3nn[n-]n3)o2)c1 ZINC000822837561 1429339989 /nfs/dbraw/zinc/33/99/89/1429339989.db2.gz NXHPILKFGNSFQI-UHFFFAOYSA-N -1 0 379.767 3.021 20 30 GGEDRM CS(=O)(=O)c1cc(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)cs1 ZINC000179423994 1429370109 /nfs/dbraw/zinc/37/01/09/1429370109.db2.gz LBIWHDIWVXDXSV-JTQLQIEISA-N -1 0 395.412 3.386 20 30 GGEDRM CC(C)S(=O)(=O)[N-]C(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 ZINC000179460455 1429383547 /nfs/dbraw/zinc/38/35/47/1429383547.db2.gz WQZPEDJVXNXYGL-UHFFFAOYSA-N -1 0 378.837 3.472 20 30 GGEDRM O=C(C=Cc1ccc(O)c(Br)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000826400607 1429403960 /nfs/dbraw/zinc/40/39/60/1429403960.db2.gz CDHKMVQGUFGSBZ-RQOWECAXSA-N -1 0 377.223 3.292 20 30 GGEDRM COc1ccc2[nH]cc(C(=O)C=Cc3ccc(OC)c(-c4nn[n-]n4)c3)c2c1 ZINC000737115348 1429409991 /nfs/dbraw/zinc/40/99/91/1429409991.db2.gz OTTUJRDQPSEPQX-XVNBXDOJSA-N -1 0 375.388 3.261 20 30 GGEDRM Clc1cc(N=NCc2nccn2Cc2ccccc2)ccc1-c1nn[n-]n1 ZINC000826351203 1429411128 /nfs/dbraw/zinc/41/11/28/1429411128.db2.gz CAWHFOXFZODTBN-UHFFFAOYSA-N -1 0 378.827 3.211 20 30 GGEDRM N#C[C@@H](C(=O)c1sccc1-c1nnn[n-]1)c1nc2ccccc2n1C(F)F ZINC000737674346 1429425154 /nfs/dbraw/zinc/42/51/54/1429425154.db2.gz VRMWOZKMFWUXPB-VIFPVBQESA-N -1 0 385.359 3.163 20 30 GGEDRM C[C@H](Nc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1)c1cccc(-c2nnn[n-]2)c1 ZINC000820455118 1429438677 /nfs/dbraw/zinc/43/86/77/1429438677.db2.gz DKLPHTWLWJPJHF-NSHDSACASA-N -1 0 386.375 3.368 20 30 GGEDRM C[C@@H](OC(=O)[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)cc1)c1cccc(C#N)c1 ZINC000824713500 1429460200 /nfs/dbraw/zinc/46/02/00/1429460200.db2.gz IUSFEVBHTPJDET-KUHUBIRLSA-N -1 0 388.431 3.012 20 30 GGEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1cc2n[nH]cc2c(C)c1 ZINC000823909419 1429462684 /nfs/dbraw/zinc/46/26/84/1429462684.db2.gz CQKZTGUMQVKDRQ-UHFFFAOYSA-N -1 0 388.435 3.272 20 30 GGEDRM Cn1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)c(-c2cccs2)n1 ZINC000826360153 1429466167 /nfs/dbraw/zinc/46/61/67/1429466167.db2.gz ZBUWWOAXPSKUOB-FNORWQNLSA-N -1 0 380.408 3.364 20 30 GGEDRM C[C@@H](CSCc1ccccc1)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000820292407 1429483863 /nfs/dbraw/zinc/48/38/63/1429483863.db2.gz FIMBOYJFHVQHRH-ZDUSSCGKSA-N -1 0 378.461 3.246 20 30 GGEDRM CCCCCn1nc(C(=O)Nc2cc(C#N)ccc2[O-])c2ccccc2c1=O ZINC000179729863 1429526466 /nfs/dbraw/zinc/52/64/66/1429526466.db2.gz WJHABRJBWMWKGN-UHFFFAOYSA-N -1 0 376.416 3.416 20 30 GGEDRM Cc1cccc(NC(=O)N2CCC[C@@H](C(=O)Nc3cc(C#N)ccc3[O-])C2)c1 ZINC000179742406 1429532751 /nfs/dbraw/zinc/53/27/51/1429532751.db2.gz MCOOBDNKLXCWBI-MRXNPFEDSA-N -1 0 378.432 3.455 20 30 GGEDRM C=CCn1c(=O)c2ccc(C(=O)NC[C@@H](C)c3c(C)noc3C)cc2[n-]c1=S ZINC000152554537 1422141842 /nfs/dbraw/zinc/14/18/42/1422141842.db2.gz AHDVPISJMSWUDA-LLVKDONJSA-N -1 0 398.488 3.010 20 30 GGEDRM C=CCn1c(=O)c2ccc(C(=O)NC[C@H](C)c3c(C)noc3C)cc2[n-]c1=S ZINC000152554444 1422141885 /nfs/dbraw/zinc/14/18/85/1422141885.db2.gz AHDVPISJMSWUDA-NSHDSACASA-N -1 0 398.488 3.010 20 30 GGEDRM CC(C)C[C@@H](C#N)NC(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735756097 1429540962 /nfs/dbraw/zinc/54/09/62/1429540962.db2.gz LELYCHJPDPNNPT-SFHVURJKSA-N -1 0 390.447 3.114 20 30 GGEDRM N#Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(F)cc2OCC(F)F)c(F)c1 ZINC000179759282 1429544277 /nfs/dbraw/zinc/54/42/77/1429544277.db2.gz PJCVGFVUOAUAAJ-UHFFFAOYSA-N -1 0 392.305 3.420 20 30 GGEDRM COc1ccc(S(C)(=O)=O)cc1C([O-])=C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000153140963 1422369616 /nfs/dbraw/zinc/36/96/16/1422369616.db2.gz CWCKJJCJVMTQEJ-CYBMUJFWSA-N -1 0 398.362 3.003 20 30 GGEDRM COc1ccc(CCNC(=O)C(C#N)=C([O-])c2cc(C)c(F)c(C)c2)cc1OC ZINC000153310518 1422459801 /nfs/dbraw/zinc/45/98/01/1422459801.db2.gz WQJPCOWYHSIEJA-KRWDZBQOSA-N -1 0 398.434 3.141 20 30 GGEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1ccn(-c2ccc(Cl)cc2Cl)n1 ZINC000179788097 1429564559 /nfs/dbraw/zinc/56/45/59/1429564559.db2.gz KCLITYVXTDOULC-GFCCVEGCSA-N -1 0 377.231 3.124 20 30 GGEDRM CCOCc1ccccc1CNC(=O)Cn1[n-]c(C(C)(C)C)c(CCC#N)c1=O ZINC000153460597 1422549405 /nfs/dbraw/zinc/54/94/05/1422549405.db2.gz WHTXNMZIXJGKBJ-UHFFFAOYSA-N -1 0 398.507 3.195 20 30 GGEDRM N#CC(C(=O)NCc1ccccc1)=C([O-])c1ccnc(OC2CCCCC2)c1 ZINC000179792509 1429567958 /nfs/dbraw/zinc/56/79/58/1429567958.db2.gz HFZHYXVHYBDWPE-IBGZPJMESA-N -1 0 377.444 3.432 20 30 GGEDRM CCN(Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1)C[C@H](C)C#N ZINC000825435283 1429584162 /nfs/dbraw/zinc/58/41/62/1429584162.db2.gz SEXPLKSDPOQJPZ-MRXNPFEDSA-N -1 0 376.464 3.427 20 30 GGEDRM C=CCN(C)C(=O)c1ccc(OC)c(S(=O)(=O)[N-]c2ccc(CC)cc2)c1 ZINC000154185079 1422851899 /nfs/dbraw/zinc/85/18/99/1422851899.db2.gz NMLDIAMSPADTFP-UHFFFAOYSA-N -1 0 388.489 3.316 20 30 GGEDRM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)cc1 ZINC000154283735 1422866921 /nfs/dbraw/zinc/86/69/21/1422866921.db2.gz QWOYIPBFMJMIHQ-UHFFFAOYSA-N -1 0 383.351 3.336 20 30 GGEDRM CNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)c1C ZINC000154326575 1422872984 /nfs/dbraw/zinc/87/29/84/1422872984.db2.gz DZOGVYHPBNAMRB-UHFFFAOYSA-N -1 0 397.378 3.046 20 30 GGEDRM COc1ccc(CCNC(=O)C(C#N)=C([O-])c2cccc(-n3cccc3)c2)cc1 ZINC000155010541 1423112634 /nfs/dbraw/zinc/11/26/34/1423112634.db2.gz CCVLNXGMFMDVBG-OAQYLSRUSA-N -1 0 387.439 3.167 20 30 GGEDRM COc1ccc(CNC(=O)C(C#N)=C([O-])c2ccc(OC(F)(F)F)cc2)cc1 ZINC000155038799 1423129620 /nfs/dbraw/zinc/12/96/20/1423129620.db2.gz QMFKUNBVRGACBH-MRXNPFEDSA-N -1 0 392.333 3.233 20 30 GGEDRM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)OCc1ccc(Cl)cc1C#N ZINC000824178089 1423219906 /nfs/dbraw/zinc/21/99/06/1423219906.db2.gz MJMZBIDPIJISQP-UHFFFAOYSA-N -1 0 397.822 3.293 20 30 GGEDRM Cc1c(C)n(-c2ccccc2)c(NC(=O)c2ccc(-c3nn[n-]n3)s2)c1C#N ZINC000826234208 1423248018 /nfs/dbraw/zinc/24/80/18/1423248018.db2.gz MHRFALOISRYVKQ-UHFFFAOYSA-N -1 0 389.444 3.460 20 30 GGEDRM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)CSc1ccc(C#N)cc1 ZINC000735904714 1423311267 /nfs/dbraw/zinc/31/12/67/1423311267.db2.gz AGKNHDCTUSZLRV-UHFFFAOYSA-N -1 0 394.460 3.256 20 30 GGEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)CNC(=O)CC1CCCCC1 ZINC000155445687 1423367177 /nfs/dbraw/zinc/36/71/77/1423367177.db2.gz WVIDYEUSDFGGCA-KRWDZBQOSA-N -1 0 379.460 3.455 20 30 GGEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1nc(C2CC2)n(-c2ccccc2Cl)n1 ZINC000155491901 1423385890 /nfs/dbraw/zinc/38/58/90/1423385890.db2.gz MJYXZXZQWJJKMA-CQSZACIVSA-N -1 0 397.866 3.179 20 30 GGEDRM Cc1[nH]c2ccccc2c1C(=O)C(C#N)=C([O-])c1csc(S(C)(=O)=O)c1 ZINC000155516042 1423395861 /nfs/dbraw/zinc/39/58/61/1423395861.db2.gz ZPJOGAYMYQXOBF-CYBMUJFWSA-N -1 0 386.454 3.147 20 30 GGEDRM CC(C)CCN(CCC#N)Cc1cn(C)nc1-c1ccc(-c2nnn[n-]2)cc1 ZINC000824249767 1423534325 /nfs/dbraw/zinc/53/43/25/1423534325.db2.gz UHYMZDLPPUSPSL-UHFFFAOYSA-N -1 0 378.484 3.029 20 30 GGEDRM CC(C)c1nc(-c2nn[n-]n2)c(N=NCc2c[nH]nc2-c2c(F)cccc2F)o1 ZINC000824352445 1423596014 /nfs/dbraw/zinc/59/60/14/1423596014.db2.gz DIPMAZCHSRNROB-UHFFFAOYSA-N -1 0 399.365 3.092 20 30 GGEDRM Cn1cc(C=CC(=O)c2cnc3[nH]cccc2-3)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826359816 1423656611 /nfs/dbraw/zinc/65/66/11/1423656611.db2.gz RBPRYKBGJLJUGS-HJWRWDBZSA-N -1 0 396.414 3.040 20 30 GGEDRM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1cnc(C(C)(C)C)nc1 ZINC000735420696 1423665572 /nfs/dbraw/zinc/66/55/72/1423665572.db2.gz QFFSFNFZIWUTOB-UHFFFAOYSA-N -1 0 392.467 3.174 20 30 GGEDRM Cc1nc([N-]S(=O)(=O)c2ccc(Cl)cc2F)n(-c2ccc(C#N)cc2)n1 ZINC000156088896 1423666740 /nfs/dbraw/zinc/66/67/40/1423666740.db2.gz CYTIWMRUUOBDOI-UHFFFAOYSA-N -1 0 391.815 3.041 20 30 GGEDRM Cc1nc([N-]S(=O)(=O)c2ccc(C)c(Cl)c2)n(-c2ccc(C#N)cc2)n1 ZINC000156092364 1423668361 /nfs/dbraw/zinc/66/83/61/1423668361.db2.gz USHIZNOPVNYLKR-UHFFFAOYSA-N -1 0 387.852 3.210 20 30 GGEDRM Cc1nc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)n(-c2ccc(C#N)cc2)n1 ZINC000156094154 1423669543 /nfs/dbraw/zinc/66/95/43/1423669543.db2.gz KGKOMQJWGYRFCZ-UHFFFAOYSA-N -1 0 393.472 3.127 20 30 GGEDRM N#Cc1ccccc1-c1ccc(CNC(=O)Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826387042 1423687617 /nfs/dbraw/zinc/68/76/17/1423687617.db2.gz DANFVRUECWEOGT-UHFFFAOYSA-N -1 0 394.438 3.264 20 30 GGEDRM N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822801603 1429672601 /nfs/dbraw/zinc/67/26/01/1429672601.db2.gz KSAIVWFSYNZXPI-SJLPKXTDSA-N -1 0 391.410 3.309 20 30 GGEDRM Cc1cccc(N(CCC#N)S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)c1 ZINC000156332622 1423783828 /nfs/dbraw/zinc/78/38/28/1423783828.db2.gz ULSMLRMTNYBFEU-UHFFFAOYSA-N -1 0 376.409 3.250 20 30 GGEDRM C#CCCCCNC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000156422674 1423808822 /nfs/dbraw/zinc/80/88/22/1423808822.db2.gz JESKRRJBKRGBMR-UHFFFAOYSA-N -1 0 392.427 3.299 20 30 GGEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1ccc(Cl)c(C(F)(F)F)c1 ZINC000156425818 1423809083 /nfs/dbraw/zinc/80/90/83/1423809083.db2.gz ADPYRBILIYOPNZ-NSHDSACASA-N -1 0 376.762 3.224 20 30 GGEDRM C[C@@H](NC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C)c1cccc(C#N)c1 ZINC000820373844 1423811858 /nfs/dbraw/zinc/81/18/58/1423811858.db2.gz JSYOPGHAAPVGQK-GFCCVEGCSA-N -1 0 378.440 3.178 20 30 GGEDRM Cc1c(C(=O)C=Cc2ccc(C#N)cc2F)cnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822015839 1423816657 /nfs/dbraw/zinc/81/66/57/1423816657.db2.gz PUSIWTXXUGESKV-RMKNXTFCSA-N -1 0 399.389 3.268 20 30 GGEDRM CCOc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)cc1[N+](=O)[O-] ZINC000825631590 1423884794 /nfs/dbraw/zinc/88/47/94/1423884794.db2.gz DHMCRIGGOMLMFG-FNORWQNLSA-N -1 0 383.339 3.209 20 30 GGEDRM N#Cc1ccc2nc(NCc3nc(-c4cccc(-c5nnn[n-]5)c4)c[nH]3)ccc2c1 ZINC000826386745 1429684621 /nfs/dbraw/zinc/68/46/21/1429684621.db2.gz RFZDAYBPYZMNPP-UHFFFAOYSA-N -1 0 393.414 3.289 20 30 GGEDRM CC(C)CCOc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1 ZINC000735819779 1423903884 /nfs/dbraw/zinc/90/38/84/1423903884.db2.gz LFCUNXVDBCGPMI-UHFFFAOYSA-N -1 0 376.420 3.416 20 30 GGEDRM C#Cc1cccc(N(CC)C(=O)CSCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735390665 1423961897 /nfs/dbraw/zinc/96/18/97/1423961897.db2.gz BCTDTMPXZWXDML-UHFFFAOYSA-N -1 0 377.473 3.134 20 30 GGEDRM Cc1cc(Cl)cc2c1OCCC2N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000826267516 1424042372 /nfs/dbraw/zinc/04/23/72/1424042372.db2.gz JFCJUDHRUBPXPM-UHFFFAOYSA-N -1 0 390.234 3.476 20 30 GGEDRM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]c2ccc(CC#N)cc2)c(F)c1Cl ZINC000157610345 1424048261 /nfs/dbraw/zinc/04/82/61/1424048261.db2.gz YHFJXIVLBKQKKI-UHFFFAOYSA-N -1 0 399.806 3.443 20 30 GGEDRM C[C@@H]1CC(NC(=O)c2ccc(Oc3ccccc3-c3nn[n-]n3)c(Cl)c2)=NO1 ZINC000824894355 1424133615 /nfs/dbraw/zinc/13/36/15/1424133615.db2.gz YSGMUZOQKNKVKV-SNVBAGLBSA-N -1 0 398.810 3.165 20 30 GGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)c(C#N)c2)c(F)c1 ZINC000158048622 1424148209 /nfs/dbraw/zinc/14/82/09/1424148209.db2.gz UZEQPTMIMYHEIT-UHFFFAOYSA-N -1 0 399.325 3.311 20 30 GGEDRM CC(C)NC(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000158051369 1424150057 /nfs/dbraw/zinc/15/00/57/1424150057.db2.gz RGNHRLXBAGICNM-UHFFFAOYSA-N -1 0 376.413 3.028 20 30 GGEDRM C[C@H](C#N)CN(C)C(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735506433 1424160829 /nfs/dbraw/zinc/16/08/29/1424160829.db2.gz WSEUGBVUECAAPO-CYBMUJFWSA-N -1 0 377.408 3.282 20 30 GGEDRM CCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2F)cc1Cl ZINC000158082393 1424161336 /nfs/dbraw/zinc/16/13/36/1424161336.db2.gz IIFPWQZSWWJCGM-UHFFFAOYSA-N -1 0 395.843 3.291 20 30 GGEDRM CC[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2F)c(C)c1 ZINC000158095378 1424166666 /nfs/dbraw/zinc/16/66/66/1424166666.db2.gz MJZQNIWSSOXIRF-CYBMUJFWSA-N -1 0 389.452 3.335 20 30 GGEDRM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2[N+](=O)[O-])nn1-c1ccc(C)cc1 ZINC000180039988 1429708578 /nfs/dbraw/zinc/70/85/78/1429708578.db2.gz OBHBDKJLBDWIDM-UHFFFAOYSA-N -1 0 397.416 3.070 20 30 GGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2OC[C@H]2CCCO2)c(F)c1 ZINC000158156081 1424181394 /nfs/dbraw/zinc/18/13/94/1424181394.db2.gz MSAHSANBMCJIIY-CQSZACIVSA-N -1 0 394.399 3.195 20 30 GGEDRM N#Cc1cccc(OCc2ccoc2C(=O)Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737730103 1424195669 /nfs/dbraw/zinc/19/56/69/1424195669.db2.gz FVTMMNPHDGKEAJ-UHFFFAOYSA-N -1 0 387.355 3.130 20 30 GGEDRM CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820313166 1429707020 /nfs/dbraw/zinc/70/70/20/1429707020.db2.gz BLBDQKVYNNTECH-LIRRHRJNSA-N -1 0 390.447 3.019 20 30 GGEDRM N#Cc1cccc(CC(=O)N(Cc2ccco2)c2ccccc2-c2nn[n-]n2)c1 ZINC000822837116 1424249501 /nfs/dbraw/zinc/24/95/01/1424249501.db2.gz FOACZUWLDMEQLZ-UHFFFAOYSA-N -1 0 384.399 3.107 20 30 GGEDRM CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736482316 1424299191 /nfs/dbraw/zinc/29/91/91/1424299191.db2.gz ZCESKBYBZUCXAT-UHFFFAOYSA-N -1 0 379.399 3.322 20 30 GGEDRM N#C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)cs1)c1cccc(Cl)c1Cl ZINC000822801643 1424413166 /nfs/dbraw/zinc/41/31/66/1424413166.db2.gz LOJZOIXWANBIOI-SNVBAGLBSA-N -1 0 379.232 3.230 20 30 GGEDRM N#Cc1ccc(OC2CCC(Nc3cccc(F)c3-c3nnn[n-]3)CC2)nc1 ZINC000826385878 1424437997 /nfs/dbraw/zinc/43/79/97/1424437997.db2.gz GDBDHWVYGXEFPW-UHFFFAOYSA-N -1 0 379.399 3.075 20 30 GGEDRM CCCCCCC[C@@]1(C)NC(=O)N([N-]C(=O)c2ccn(C3CCCC3)n2)C1=O ZINC000159554946 1424513056 /nfs/dbraw/zinc/51/30/56/1424513056.db2.gz VMWKQSLUVAJTPZ-HXUWFJFHSA-N -1 0 389.500 3.314 20 30 GGEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)CCNC(=O)OCC(F)(F)F ZINC000159676686 1424522960 /nfs/dbraw/zinc/52/29/60/1424522960.db2.gz IEZDNDXNJWTRGN-LBPRGKRZSA-N -1 0 395.337 3.047 20 30 GGEDRM N#Cc1cc(F)c(S(=O)(=O)[N-][C@H](C[C@@H]2CCOC2)c2ccccc2)c(F)c1 ZINC000159785982 1424535113 /nfs/dbraw/zinc/53/51/13/1424535113.db2.gz ULCIXBAVLFEDDX-SCLBCKFNSA-N -1 0 392.427 3.283 20 30 GGEDRM Cn1cc(C#N)cc1C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000822664884 1424543515 /nfs/dbraw/zinc/54/35/15/1424543515.db2.gz CGJOCNHDYDTZQJ-UHFFFAOYSA-N -1 0 385.387 3.121 20 30 GGEDRM Cc1nc(C([O-])=C(C#N)C(=O)Nc2ccccn2)nn1-c1ccccc1C(C)C ZINC000159847525 1424543857 /nfs/dbraw/zinc/54/38/57/1424543857.db2.gz PKGWLWCYMYEQMR-INIZCTEOSA-N -1 0 388.431 3.055 20 30 GGEDRM COc1ccc(C(=O)Nc2cc(C#N)ccc2[O-])cc1I ZINC000159864479 1424544934 /nfs/dbraw/zinc/54/49/34/1424544934.db2.gz VFUBBEULVNCYIM-UHFFFAOYSA-N -1 0 394.168 3.129 20 30 GGEDRM CC(C)Oc1ccc(NC(=O)c2ccc(C3(C#N)CC3)cc2)cc1-c1nn[n-]n1 ZINC000824329399 1424553371 /nfs/dbraw/zinc/55/33/71/1424553371.db2.gz OSMZEGDQQHCTMI-UHFFFAOYSA-N -1 0 388.431 3.461 20 30 GGEDRM CC[C@H](c1nnc([N-]S(=O)(=O)c2ccc(C#N)nc2)s1)c1ccccc1 ZINC000160027169 1424564606 /nfs/dbraw/zinc/56/46/06/1424564606.db2.gz ATCWDEFEXLTKKA-HNNXBMFYSA-N -1 0 385.474 3.147 20 30 GGEDRM CC[C@@H](c1nnc([N-]S(=O)(=O)c2ccc(C#N)nc2)s1)c1ccccc1 ZINC000160027300 1424564720 /nfs/dbraw/zinc/56/47/20/1424564720.db2.gz ATCWDEFEXLTKKA-OAHLLOKOSA-N -1 0 385.474 3.147 20 30 GGEDRM CCN(C[C@@H](C)C#N)C(=O)c1sccc1S(=O)(=O)[N-]c1ccc(C)cc1 ZINC000160408479 1424602360 /nfs/dbraw/zinc/60/23/60/1424602360.db2.gz DNBALOQVUXIXKZ-AWEZNQCLSA-N -1 0 391.518 3.479 20 30 GGEDRM CC(C)(C)c1ccc(S(=O)(=O)[N-]C(=O)c2ccccc2OCC#N)s1 ZINC000160501776 1424609253 /nfs/dbraw/zinc/60/92/53/1424609253.db2.gz JKRZZHXRXQPNHT-UHFFFAOYSA-N -1 0 378.475 3.067 20 30 GGEDRM C=CCn1c(=O)c2ccc(C(=O)N[C@@H](CC)c3c(C)noc3C)cc2[n-]c1=S ZINC000161609076 1424723470 /nfs/dbraw/zinc/72/34/70/1424723470.db2.gz QTANXBZPNVGLKM-HNNXBMFYSA-N -1 0 398.488 3.357 20 30 GGEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cc(C)c(OC)c(C)c1 ZINC000823915156 1424735361 /nfs/dbraw/zinc/73/53/61/1424735361.db2.gz SRORFFVBSQBTQH-UHFFFAOYSA-N -1 0 377.448 3.321 20 30 GGEDRM N#CCc1ccc(C(=O)Nc2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)cc1 ZINC000826382805 1424783117 /nfs/dbraw/zinc/78/31/17/1424783117.db2.gz VRRRKHXQOWWVBN-UHFFFAOYSA-N -1 0 387.428 3.309 20 30 GGEDRM N#CC(=C([O-])c1ccc(Cl)c(F)c1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000161926557 1424798905 /nfs/dbraw/zinc/79/89/05/1424798905.db2.gz QXOZAJVOKMXMOS-GFCCVEGCSA-N -1 0 382.786 3.480 20 30 GGEDRM N#C[C@H](C(=O)[C@H]1C[C@@H]1C1CC1)c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000822801730 1424832793 /nfs/dbraw/zinc/83/27/93/1424832793.db2.gz NHJWPUDSKFJMKZ-QLFBSQMISA-N -1 0 376.445 3.213 20 30 GGEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1cccc(-n2ccc(C(F)(F)F)n2)c1 ZINC000162620768 1424872516 /nfs/dbraw/zinc/87/25/16/1424872516.db2.gz XKQSWPHYFSNORP-HNNXBMFYSA-N -1 0 390.365 3.272 20 30 GGEDRM Cc1sc(NC(=O)C(C)(C)Oc2ccc(C#N)cc2)c(-c2nn[n-]n2)c1C ZINC000822553686 1424902709 /nfs/dbraw/zinc/90/27/09/1424902709.db2.gz OYWSNDLTQHIVCO-UHFFFAOYSA-N -1 0 382.449 3.213 20 30 GGEDRM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1coc(-c2ccccc2)n1 ZINC000735420702 1424913591 /nfs/dbraw/zinc/91/35/91/1424913591.db2.gz QNVNTPAQBOBVEC-UHFFFAOYSA-N -1 0 386.415 3.350 20 30 GGEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=S)Nc1ccc(OC)c(F)c1 ZINC000735421392 1424922139 /nfs/dbraw/zinc/92/21/39/1424922139.db2.gz XZIGRCWJEMZDFQ-UHFFFAOYSA-N -1 0 398.467 3.399 20 30 GGEDRM N#C[C@@H](OC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1)C1CC1 ZINC000822801742 1424930343 /nfs/dbraw/zinc/93/03/43/1424930343.db2.gz NOOMFCFBARBZEO-MRXNPFEDSA-N -1 0 379.351 3.257 20 30 GGEDRM C=CCOc1ccc(C(=O)N[C@@H](c2nnn[n-]2)c2ccc(Cl)c(F)c2)cc1 ZINC000681125689 1424941982 /nfs/dbraw/zinc/94/19/82/1424941982.db2.gz PJAGHSCCGXYHJD-MRXNPFEDSA-N -1 0 387.802 3.076 20 30 GGEDRM N#Cc1cccc(CNc2ccn(-c3ccc(-c4nnn[n-]4)cc3Cl)n2)c1 ZINC000826386631 1429764216 /nfs/dbraw/zinc/76/42/16/1429764216.db2.gz MLEFDVJXIYRZHU-UHFFFAOYSA-N -1 0 376.811 3.190 20 30 GGEDRM N#Cc1cc(F)c(S(=O)(=O)[N-][C@H]2CCO[C@H](c3ccccc3)C2)c(F)c1 ZINC000163376788 1424987387 /nfs/dbraw/zinc/98/73/87/1424987387.db2.gz FWGRUSKWHKJNSN-YOEHRIQHSA-N -1 0 378.400 3.035 20 30 GGEDRM CCN(CCC#N)C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000821206492 1425014341 /nfs/dbraw/zinc/01/43/41/1425014341.db2.gz BTVSFNMSNFTKQO-UHFFFAOYSA-N -1 0 376.420 3.343 20 30 GGEDRM N#C[C@H](NC(=O)c1sccc1-c1nn[n-]n1)c1ccc(Cl)c(Cl)c1 ZINC000737673671 1425027428 /nfs/dbraw/zinc/02/74/28/1425027428.db2.gz BYPDOTJRAIIMPS-NSHDSACASA-N -1 0 379.232 3.230 20 30 GGEDRM O=C(CSCc1ccc(-c2nn[n-]n2)cc1)OCC#Cc1cccc(Cl)c1 ZINC000823060484 1425042669 /nfs/dbraw/zinc/04/26/69/1425042669.db2.gz DHBFVHAOIKNKRA-UHFFFAOYSA-N -1 0 398.875 3.348 20 30 GGEDRM N#Cc1ccc(NN=Cc2ccc(-c3nn[n-]n3)cc2F)cc1C(F)(F)F ZINC000822833800 1425061624 /nfs/dbraw/zinc/06/16/24/1425061624.db2.gz VQRRCVYAESDUPK-UHFFFAOYSA-N -1 0 375.289 3.342 20 30 GGEDRM CC(C)n1cc(C#N)c([N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)n1 ZINC000164014810 1425068487 /nfs/dbraw/zinc/06/84/87/1425068487.db2.gz QJOOOESXZJFVGM-UHFFFAOYSA-N -1 0 383.355 3.027 20 30 GGEDRM Cc1cc(Oc2ccc([N-]S(=O)(=O)c3c(F)cc(C#N)cc3F)cc2)n[nH]1 ZINC000164036080 1425070688 /nfs/dbraw/zinc/07/06/88/1425070688.db2.gz DHIPTJYDRWUVIS-UHFFFAOYSA-N -1 0 390.371 3.461 20 30 GGEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000735420116 1425073939 /nfs/dbraw/zinc/07/39/39/1425073939.db2.gz MKWNNQURRDKSCS-UHFFFAOYSA-N -1 0 377.383 3.098 20 30 GGEDRM COCCCOc1cccc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC000826157305 1425097030 /nfs/dbraw/zinc/09/70/30/1425097030.db2.gz QBGDRAHSHRYNFQ-TWGQIWQCSA-N -1 0 382.395 3.317 20 30 GGEDRM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C#N)c(C(F)(F)F)c2)c(C)o1 ZINC000164786699 1425142148 /nfs/dbraw/zinc/14/21/48/1425142148.db2.gz NYVBCKVAYRHGQI-UHFFFAOYSA-N -1 0 388.323 3.066 20 30 GGEDRM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2cccnc2-c2ccccc2)c1 ZINC000164976014 1425154354 /nfs/dbraw/zinc/15/43/54/1425154354.db2.gz ZBKKDWHQYVQVMG-UHFFFAOYSA-N -1 0 393.468 3.465 20 30 GGEDRM C[C@H]1CC(NC(=O)c2ccc(Oc3ccccc3-c3nn[n-]n3)c(Cl)c2)=NO1 ZINC000824894354 1425181090 /nfs/dbraw/zinc/18/10/90/1425181090.db2.gz YSGMUZOQKNKVKV-JTQLQIEISA-N -1 0 398.810 3.165 20 30 GGEDRM N#CC(C(=O)NC1CC1)=C([O-])c1cc(Br)cc(C(F)(F)F)c1 ZINC000165527944 1425183288 /nfs/dbraw/zinc/18/32/88/1425183288.db2.gz SITNNOSHLUWQPU-NSHDSACASA-N -1 0 375.144 3.069 20 30 GGEDRM CC(C)[C@@H](Oc1ccccc1C#N)C(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820031143 1425189447 /nfs/dbraw/zinc/18/94/47/1425189447.db2.gz AJIROIFEVXFIMP-GOSISDBHSA-N -1 0 395.394 3.024 20 30 GGEDRM COc1ccc(C=NNCc2ccc(C(F)(F)F)cc2)cc1-c1nn[n-]n1 ZINC000737082594 1425213737 /nfs/dbraw/zinc/21/37/37/1425213737.db2.gz XRZWURHFYLQKSH-UHFFFAOYSA-N -1 0 376.342 3.018 20 30 GGEDRM CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821110298 1425243140 /nfs/dbraw/zinc/24/31/40/1425243140.db2.gz ZLJAIMKZWGMYJV-HNNXBMFYSA-N -1 0 389.463 3.421 20 30 GGEDRM C[C@H](C#N)CNC(=O)c1ccccc1SCc1ccc(-c2nn[n-]n2)cc1 ZINC000735506279 1425262542 /nfs/dbraw/zinc/26/25/42/1425262542.db2.gz UWWMMEGJLWQDQY-CYBMUJFWSA-N -1 0 378.461 3.048 20 30 GGEDRM CCOC(=O)Nc1ccc(N=Cc2ccc(OCC)cc2O)cc1-c1nn[n-]n1 ZINC000825523095 1425299754 /nfs/dbraw/zinc/29/97/54/1425299754.db2.gz MOJVBERIMPEYGY-UHFFFAOYSA-N -1 0 396.407 3.290 20 30 GGEDRM N#CCC[C@@H](NC(=O)CSCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000826381261 1425310142 /nfs/dbraw/zinc/31/01/42/1425310142.db2.gz DOXBNTLCROOWQO-GOSISDBHSA-N -1 0 392.488 3.261 20 30 GGEDRM O=C1c2ccc(-c3nn[n-]n3)cc2CCC1=Cc1cn2cc(Cl)ccc2n1 ZINC000823503100 1425373164 /nfs/dbraw/zinc/37/31/64/1425373164.db2.gz BESMWZZOPZYATH-XYOKQWHBSA-N -1 0 376.807 3.380 20 30 GGEDRM C[C@H](Sc1ccc(-c2nn[n-]n2)cc1Cl)C(=O)NC1(C#N)CCCCC1 ZINC000820549431 1425374001 /nfs/dbraw/zinc/37/40/01/1425374001.db2.gz MLIXKSPPODPOCM-NSHDSACASA-N -1 0 390.900 3.343 20 30 GGEDRM C=CCn1c(=O)c2ccc(C(=O)N3CCCc4ccccc4C3)cc2[n-]c1=S ZINC000170948551 1425408174 /nfs/dbraw/zinc/40/81/74/1425408174.db2.gz RVVHJZCWOJUWPY-UHFFFAOYSA-N -1 0 391.496 3.460 20 30 GGEDRM N#Cc1cccc(S(=O)(=O)[N-]C(=O)[C@H]2C[C@@H]2c2ccc(Cl)cc2Cl)c1 ZINC000170960350 1425417476 /nfs/dbraw/zinc/41/74/76/1425417476.db2.gz FTWMQFUKZXGCSD-CABCVRRESA-N -1 0 395.267 3.474 20 30 GGEDRM Clc1cc(-c2nnn[n-]2)cc(NN=Cc2cnc(-c3ccccc3)s2)n1 ZINC000826350405 1425436374 /nfs/dbraw/zinc/43/63/74/1425436374.db2.gz UPSIOLRKUVIOGL-UHFFFAOYSA-N -1 0 382.840 3.485 20 30 GGEDRM Cc1ccc2c(c1)C(=O)C(=Cc1cn(C)nc1-c1ccc(-c3nn[n-]n3)cc1)C2 ZINC000826294719 1425436526 /nfs/dbraw/zinc/43/65/26/1425436526.db2.gz ZTYIOBJVZJJBPG-GZTJUZNOSA-N -1 0 382.427 3.398 20 30 GGEDRM N#CCSCC(=O)N(Cc1ccccc1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000737697537 1425451222 /nfs/dbraw/zinc/45/12/22/1425451222.db2.gz JGWYKIMQHMQPGD-UHFFFAOYSA-N -1 0 398.879 3.310 20 30 GGEDRM CC(C)(C)[C@H](C#N)NC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000819899566 1425473296 /nfs/dbraw/zinc/47/32/96/1425473296.db2.gz XAMWROMEFJGIDC-KRWDZBQOSA-N -1 0 375.436 3.278 20 30 GGEDRM CC(C)(C#N)c1ccc([N-]S(=O)(=O)c2cc3c(cc2Cl)NC(=O)C3)cc1 ZINC000171089636 1425477385 /nfs/dbraw/zinc/47/73/85/1425477385.db2.gz OKIJMJCSFKYZDQ-UHFFFAOYSA-N -1 0 389.864 3.437 20 30 GGEDRM CC(C)c1ccc(Cn2nccc2[N-]S(=O)(=O)c2ccc(C#N)nc2)cc1 ZINC000171150978 1425510029 /nfs/dbraw/zinc/51/00/29/1425510029.db2.gz SYWGECBGQLLLNL-UHFFFAOYSA-N -1 0 381.461 3.122 20 30 GGEDRM COc1ccc2[nH]cc(C(=O)C=Cc3ccc(OC)c(-c4nn[n-]n4)c3)c2c1 ZINC000737115345 1425512423 /nfs/dbraw/zinc/51/24/23/1425512423.db2.gz OTTUJRDQPSEPQX-CLTKARDFSA-N -1 0 375.388 3.261 20 30 GGEDRM C=CCN(CC(=O)Nc1sc(C)c(C)c1C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000819740108 1425546804 /nfs/dbraw/zinc/54/68/04/1425546804.db2.gz PCTDJXAOSLRSDC-UHFFFAOYSA-N -1 0 396.520 3.480 20 30 GGEDRM COc1ccc(-c2nc(C=NNCc3ccc(-c4nn[n-]n4)cc3)cs2)cc1 ZINC000821733079 1425565189 /nfs/dbraw/zinc/56/51/89/1425565189.db2.gz ZSEBTNUUGRQHBQ-UHFFFAOYSA-N -1 0 391.460 3.123 20 30 GGEDRM C[C@@H](C#N)CSc1ccccc1NC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000735501948 1425571087 /nfs/dbraw/zinc/57/10/87/1425571087.db2.gz ASDISIGKHYCNMK-ZDUSSCGKSA-N -1 0 378.461 3.300 20 30 GGEDRM COCCOc1ccc(-c2nn[n-]n2)cc1NCC#Cc1ccccc1Cl ZINC000826162101 1425596648 /nfs/dbraw/zinc/59/66/48/1425596648.db2.gz NHTKBGPIWDJSCZ-UHFFFAOYSA-N -1 0 383.839 3.009 20 30 GGEDRM C[C@H](NC(=O)c1ccc(C#N)nc1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824516577 1425601426 /nfs/dbraw/zinc/60/14/26/1425601426.db2.gz YEEWZMBYFIWNLA-AWEZNQCLSA-N -1 0 395.426 3.291 20 30 GGEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cccc(F)c1OCC ZINC000819745788 1425603370 /nfs/dbraw/zinc/60/33/70/1425603370.db2.gz RSWJSPWXGWGCEL-UHFFFAOYSA-N -1 0 381.411 3.233 20 30 GGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccnn2[C@H]2CCCc3ccccc32)cc1 ZINC000171343968 1425627235 /nfs/dbraw/zinc/62/72/35/1425627235.db2.gz MMNCYBUQWIDREX-IBGZPJMESA-N -1 0 378.457 3.481 20 30 GGEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1csc(-c2ccccc2Cl)n1 ZINC000171363403 1425641011 /nfs/dbraw/zinc/64/10/11/1425641011.db2.gz SYWKQCPRJOKUAL-ZDUSSCGKSA-N -1 0 391.880 3.329 20 30 GGEDRM N#Cc1cccc(CS(=O)(=O)[N-]C(=O)C[C@H](c2ccccc2)C(F)(F)F)c1 ZINC000171407905 1425666159 /nfs/dbraw/zinc/66/61/59/1425666159.db2.gz LRDQBZAMDIYSIL-MRXNPFEDSA-N -1 0 396.390 3.240 20 30 GGEDRM N#Cc1cccc(-c2c[nH]c(CNc3c(F)cc(-c4nn[n-]n4)cc3F)n2)c1 ZINC000826386566 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1425892763 /nfs/dbraw/zinc/89/27/63/1425892763.db2.gz QKYSQOADJQKKPS-UHFFFAOYSA-N -1 0 378.461 3.054 20 30 GGEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccccc1C(=O)NCc1ccco1 ZINC000172123521 1425904697 /nfs/dbraw/zinc/90/46/97/1425904697.db2.gz ODZIMVBBDKPTGE-UHFFFAOYSA-N -1 0 395.440 3.191 20 30 GGEDRM CCCCCCCCCNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821056422 1425919869 /nfs/dbraw/zinc/91/98/69/1425919869.db2.gz RDXKKGYKVWBUHJ-UHFFFAOYSA-N -1 0 392.891 3.325 20 30 GGEDRM COc1cc(OC)c(OC)cc1C=C1CCc2cc(-c3nn[n-]n3)ccc2C1=O ZINC000821724058 1425921772 /nfs/dbraw/zinc/92/17/72/1425921772.db2.gz OTHHXIBPRRYQIN-UKTHLTGXSA-N -1 0 392.415 3.105 20 30 GGEDRM Cc1oc(-n2cccc2)c(C#N)c1C(=O)O[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000822540449 1425970127 /nfs/dbraw/zinc/97/01/27/1425970127.db2.gz BBYBYZVKJKJYHH-GFCCVEGCSA-N -1 0 388.387 3.349 20 30 GGEDRM C[C@@H](C#N)CSc1ccccc1NC(=O)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000824035298 1426025174 /nfs/dbraw/zinc/02/51/74/1426025174.db2.gz WLEIOXPBURUCRT-JTQLQIEISA-N -1 0 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1426242680 /nfs/dbraw/zinc/24/26/80/1426242680.db2.gz QXBJNAKJHVMNPM-UHFFFAOYSA-N -1 0 383.415 3.410 20 30 GGEDRM CCCCCCC[C@H](C)CNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000821049250 1426273786 /nfs/dbraw/zinc/27/37/86/1426273786.db2.gz JOLPRJLSRGLNDQ-ZDUSSCGKSA-N -1 0 390.463 3.057 20 30 GGEDRM N#Cc1ccccc1C=CC(=O)OCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000822836974 1426316019 /nfs/dbraw/zinc/31/60/19/1426316019.db2.gz CMPBZNHDVNNSKT-BQYQJAHWSA-N -1 0 397.341 3.096 20 30 GGEDRM COc1cc(-c2nn[n-]n2)ccc1OCCSCc1ccc(F)cc1C#N ZINC000737031541 1426316690 /nfs/dbraw/zinc/31/66/90/1426316690.db2.gz AAWDBBWELWQMPQ-UHFFFAOYSA-N -1 0 385.424 3.198 20 30 GGEDRM CCCNc1ccc(C#N)cc1NC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O ZINC000173041167 1426319615 /nfs/dbraw/zinc/31/96/15/1426319615.db2.gz WOPJBVNDYWGBJJ-UHFFFAOYSA-N -1 0 393.472 3.168 20 30 GGEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCCc1ccc(F)cc1F ZINC000735418435 1426351864 /nfs/dbraw/zinc/35/18/64/1426351864.db2.gz DZBMCBQZSNZADU-UHFFFAOYSA-N -1 0 398.417 3.085 20 30 GGEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cc(OC)c(OC)cc1C ZINC000819745657 1426371791 /nfs/dbraw/zinc/37/17/91/1426371791.db2.gz OCAIWVVUUHRZSO-UHFFFAOYSA-N -1 0 393.447 3.021 20 30 GGEDRM Cc1cc(-c2nn[n-]n2)ccc1C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1 ZINC000826243398 1426419476 /nfs/dbraw/zinc/41/94/76/1426419476.db2.gz HJBCRCSQXLETQB-ZDUSSCGKSA-N -1 0 378.392 3.414 20 30 GGEDRM C#CCOc1cccc(NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)c1 ZINC000735381372 1426433059 /nfs/dbraw/zinc/43/30/59/1426433059.db2.gz VBEMYALBIISJED-UHFFFAOYSA-N -1 0 390.447 3.321 20 30 GGEDRM C=C(C)[C@H](CC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)nc1)OCC ZINC000823874390 1426484072 /nfs/dbraw/zinc/48/40/72/1426484072.db2.gz WABJAAFBMFXNHX-KRWDZBQOSA-N -1 0 394.435 3.364 20 30 GGEDRM C=CCn1c(Sc2cccc(-c3nn[n-]n3)n2)nnc1-c1ccccc1C ZINC000823937174 1426515260 /nfs/dbraw/zinc/51/52/60/1426515260.db2.gz KZRWEEYSTUMSAC-UHFFFAOYSA-N -1 0 376.449 3.166 20 30 GGEDRM COc1cc(C)c(C=NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c(C)n1 ZINC000826177950 1426529314 /nfs/dbraw/zinc/52/93/14/1426529314.db2.gz CKIDXVYBXUDZCN-UHFFFAOYSA-N -1 0 391.357 3.352 20 30 GGEDRM N#Cc1ccccc1Oc1ccccc1C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000826387212 1426538478 /nfs/dbraw/zinc/53/84/78/1426538478.db2.gz KSPIEZFLBBNGJK-UHFFFAOYSA-N -1 0 396.410 3.461 20 30 GGEDRM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000822801718 1426547574 /nfs/dbraw/zinc/54/75/74/1426547574.db2.gz NEPUVORMMIOZGC-PMACEKPBSA-N -1 0 386.459 3.098 20 30 GGEDRM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000822218106 1426552061 /nfs/dbraw/zinc/55/20/61/1426552061.db2.gz XGNBARXVGYGGIW-PKOBYXMFSA-N -1 0 387.447 3.479 20 30 GGEDRM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)O[C@H](C#N)C1CCCCC1 ZINC000826340898 1426557092 /nfs/dbraw/zinc/55/70/92/1426557092.db2.gz OLAAVWBSVOAGGA-CQSZACIVSA-N -1 0 380.408 3.188 20 30 GGEDRM O=C(C=Cc1c[nH]nc1-c1c(F)cccc1F)c1ccc(-c2nn[n-]n2)s1 ZINC000826400025 1426584416 /nfs/dbraw/zinc/58/44/16/1426584416.db2.gz NDWQOSWFFBNRKR-SNAWJCMRSA-N -1 0 384.371 3.493 20 30 GGEDRM COc1ccc(CSc2nc3c(cc2C#N)CCCC3)cc1-c1nn[n-]n1 ZINC000826208136 1426608353 /nfs/dbraw/zinc/60/83/53/1426608353.db2.gz VJZQIHHXJBWRQO-UHFFFAOYSA-N -1 0 378.461 3.313 20 30 GGEDRM Cc1c(Cl)cnc(N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)c1C#N ZINC000826237154 1426628098 /nfs/dbraw/zinc/62/80/98/1426628098.db2.gz PZRFPXUAEDWIPP-UHFFFAOYSA-N -1 0 377.839 3.389 20 30 GGEDRM C=CC1CCN(C(=O)c2cccc(OCc3ccccc3-c3nn[n-]n3)c2)CC1 ZINC000735402491 1426653520 /nfs/dbraw/zinc/65/35/20/1426653520.db2.gz CEWKCUUGENAOII-UHFFFAOYSA-N -1 0 389.459 3.484 20 30 GGEDRM CCN(C(=O)Cc1cccc(OCC#N)c1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825377179 1426731586 /nfs/dbraw/zinc/73/15/86/1426731586.db2.gz WGCKAOAGWWHEQD-UHFFFAOYSA-N -1 0 396.838 3.018 20 30 GGEDRM C#Cc1cccc(N(C(=O)[C@@H](C)Oc2ccccc2-c2nn[n-]n2)C(C)C)c1 ZINC000735390121 1426783215 /nfs/dbraw/zinc/78/32/15/1426783215.db2.gz PAKDIEACFJRDFE-OAHLLOKOSA-N -1 0 375.432 3.057 20 30 GGEDRM CC(N=Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(-c2nn[n-]n2)cc1F ZINC000823958666 1426796311 /nfs/dbraw/zinc/79/63/11/1426796311.db2.gz UVKQVYMVQYWZJB-UHFFFAOYSA-N -1 0 375.751 3.404 20 30 GGEDRM CCCOc1ccc2[nH]cc(C=NNCc3ccc(-c4nn[n-]n4)cc3)c2c1 ZINC000825342991 1426819915 /nfs/dbraw/zinc/81/99/15/1426819915.db2.gz ZZMOKQWSRAUZSS-UHFFFAOYSA-N -1 0 375.436 3.261 20 30 GGEDRM Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000737265573 1426838494 /nfs/dbraw/zinc/83/84/94/1426838494.db2.gz XAILXEOZVVCPNX-NSHDSACASA-N -1 0 382.811 3.106 20 30 GGEDRM C(=NNc1cccc(-c2nn[n-]n2)c1)c1csc(-c2ccc3c(c2)OCO3)n1 ZINC000735397414 1426860723 /nfs/dbraw/zinc/86/07/23/1426860723.db2.gz BULUNBJYFZHJHV-UHFFFAOYSA-N -1 0 391.416 3.165 20 30 GGEDRM COc1ccc(COc2ccc(Br)cc2-c2nn[n-]n2)cc1C#N ZINC000826207135 1426877074 /nfs/dbraw/zinc/87/70/74/1426877074.db2.gz BLAXOPQURBPIGG-UHFFFAOYSA-N -1 0 386.209 3.088 20 30 GGEDRM Cc1csc(C(C#N)=C([O-])c2nn(-c3cccc(Cl)c3)c(C)cc2=O)n1 ZINC000173899272 1426884583 /nfs/dbraw/zinc/88/45/83/1426884583.db2.gz RTFONWMKVNLTPD-CQSZACIVSA-N -1 0 384.848 3.449 20 30 GGEDRM N#Cc1cccc(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)c1 ZINC000173911679 1426889368 /nfs/dbraw/zinc/88/93/68/1426889368.db2.gz BDWKXPYMDBIYEK-HZPDHXFCSA-N -1 0 395.267 3.474 20 30 GGEDRM N#Cc1cccc(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)c1 ZINC000173911703 1426889370 /nfs/dbraw/zinc/88/93/70/1426889370.db2.gz BDWKXPYMDBIYEK-JKSUJKDBSA-N -1 0 395.267 3.474 20 30 GGEDRM Cc1ccc(Br)cc1C([O-])=C(C#N)C(=O)NCCCOC(C)C ZINC000173941122 1426901453 /nfs/dbraw/zinc/90/14/53/1426901453.db2.gz VOUCZQHRYBXZAD-OAHLLOKOSA-N -1 0 381.270 3.011 20 30 GGEDRM Cc1nc(-c2cccc(C([O-])=C(C#N)C(=O)NCCCOC(C)C)c2)cs1 ZINC000173941074 1426901547 /nfs/dbraw/zinc/90/15/47/1426901547.db2.gz ZKOMDDKAQHHJQE-KRWDZBQOSA-N -1 0 385.489 3.372 20 30 GGEDRM CCCc1ncc(C([O-])=C(C#N)c2nc(N)nc(Nc3ccccc3)n2)s1 ZINC000173946326 1426903955 /nfs/dbraw/zinc/90/39/55/1426903955.db2.gz YBPDHVHIFQTRAU-LBPRGKRZSA-N -1 0 379.449 3.096 20 30 GGEDRM Cc1nn(-c2ccc(Cl)cc2)cc1C([O-])=C(C#N)C(=O)NCc1ccccc1 ZINC000173954859 1426907165 /nfs/dbraw/zinc/90/71/65/1426907165.db2.gz YYRDDONDNLKTBE-GOSISDBHSA-N -1 0 392.846 3.473 20 30 GGEDRM CC(C)n1cc(Br)cc1C([O-])=C(C#N)C(=O)NCc1ccccc1 ZINC000173954984 1426908494 /nfs/dbraw/zinc/90/84/94/1426908494.db2.gz QUVZAWDIZSKNCK-OAHLLOKOSA-N -1 0 388.265 3.470 20 30 GGEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H]1CCN(C)c2ccccc21 ZINC000823909607 1426929725 /nfs/dbraw/zinc/92/97/25/1426929725.db2.gz KXVDVBMOJNSYCT-LJQANCHMSA-N -1 0 388.475 3.005 20 30 GGEDRM N#Cc1cccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3ccccc3)nc2)c1 ZINC000174009336 1426940530 /nfs/dbraw/zinc/94/05/30/1426940530.db2.gz QHYFXKIKRRNUNT-UHFFFAOYSA-N -1 0 378.413 3.006 20 30 GGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3ccccc3)nc2)cc1 ZINC000174009215 1426940700 /nfs/dbraw/zinc/94/07/00/1426940700.db2.gz VBXSDASRYPDQCT-UHFFFAOYSA-N -1 0 378.413 3.006 20 30 GGEDRM N#Cc1ccc(NC(=O)c2cc(C3CC3)nn2-c2ccccc2)cc1-c1nn[n-]n1 ZINC000737719677 1426973067 /nfs/dbraw/zinc/97/30/67/1426973067.db2.gz UWQRKCZGIXWKCL-UHFFFAOYSA-N -1 0 396.414 3.054 20 30 GGEDRM Cc1ccc2ncc(C=NNc3ccc(-c4nn[n-]n4)c(C(F)(F)F)c3)n2c1 ZINC000826295552 1426996207 /nfs/dbraw/zinc/99/62/07/1426996207.db2.gz MKDXXCKCZWQSGQ-UHFFFAOYSA-N -1 0 386.341 3.288 20 30 GGEDRM Cn1cc(C=C2Cc3ccc(F)cc3C2=O)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826359663 1427007112 /nfs/dbraw/zinc/00/71/12/1427007112.db2.gz NIEAHBBLTNPKJA-DHDCSXOGSA-N -1 0 386.390 3.229 20 30 GGEDRM Cc1nc(-c2cccc(C(=O)[N-]S(=O)(=O)Cc3cccc(C#N)c3)c2)cs1 ZINC000174147829 1427021166 /nfs/dbraw/zinc/02/11/66/1427021166.db2.gz DUIMHHGMNTZBBP-UHFFFAOYSA-N -1 0 397.481 3.250 20 30 GGEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C(C)(C)c1cccc(F)c1 ZINC000735418405 1427029046 /nfs/dbraw/zinc/02/90/46/1427029046.db2.gz CYVARLWUZLFFFI-UHFFFAOYSA-N -1 0 379.439 3.498 20 30 GGEDRM N#C[C@@H](c1ccccc1)[C@H]1CCCN1CCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000822800911 1427045299 /nfs/dbraw/zinc/04/52/99/1427045299.db2.gz AUMNOTWTLXUQHI-LEWJYISDSA-N -1 0 388.475 3.407 20 30 GGEDRM N#Cc1cc(-c2nn[n-]n2)c(SCCCSCc2ccccc2)nc1N ZINC000826383695 1427047414 /nfs/dbraw/zinc/04/74/14/1427047414.db2.gz LZQQMNOZPOJHGK-UHFFFAOYSA-N -1 0 383.506 3.131 20 30 GGEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2C[C@@H]2c2cccc(F)c2F)cc1Cl ZINC000174218298 1427055815 /nfs/dbraw/zinc/05/58/15/1427055815.db2.gz IZZKIQOKINYXNX-OLZOCXBDSA-N -1 0 396.802 3.098 20 30 GGEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2C[C@H]2c2cccc(F)c2F)cc1Cl ZINC000174218285 1427055903 /nfs/dbraw/zinc/05/59/03/1427055903.db2.gz IZZKIQOKINYXNX-STQMWFEESA-N -1 0 396.802 3.098 20 30 GGEDRM COc1ccc(C=NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cc1C#N ZINC000737082220 1427096793 /nfs/dbraw/zinc/09/67/93/1427096793.db2.gz FTWWGQZXCFFYEE-UHFFFAOYSA-N -1 0 387.325 3.212 20 30 GGEDRM CCNc1ccc(-c2nn[n-]n2)cc1NCc1ccc(C#N)cc1OC(F)F ZINC000825480763 1427102565 /nfs/dbraw/zinc/10/25/65/1427102565.db2.gz JLXUVAWKLWBZRE-UHFFFAOYSA-N -1 0 385.378 3.384 20 30 GGEDRM C[C@@H](OC(=O)CSCc1ccc(C#N)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000736155108 1427106280 /nfs/dbraw/zinc/10/62/80/1427106280.db2.gz HIJUBOXETUHFPD-CYBMUJFWSA-N -1 0 379.445 3.276 20 30 GGEDRM N#CC1(OC(=O)c2ccc(OCc3ccccc3-c3nn[n-]n3)cc2)CCC1 ZINC000822801155 1427130761 /nfs/dbraw/zinc/13/07/61/1427130761.db2.gz FGVAUXHDSZACNE-UHFFFAOYSA-N -1 0 375.388 3.049 20 30 GGEDRM O=C(C=Cc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccc(-c2nn[n-]n2)s1 ZINC000826400451 1427142747 /nfs/dbraw/zinc/14/27/47/1427142747.db2.gz ZHXQVTBTNAPCDE-IWQZZHSRSA-N -1 0 393.331 3.334 20 30 GGEDRM CC[C@H](C#N)Oc1cc(CNc2nc(C)cc(C)c2-c2nn[n-]n2)ccc1OC ZINC000736308730 1427160557 /nfs/dbraw/zinc/16/05/57/1427160557.db2.gz HISHBAGKPNDYKT-OAHLLOKOSA-N -1 0 393.451 3.180 20 30 GGEDRM Fc1ccc(NN=Cc2cccc(OCc3ccccc3-c3nn[n-]n3)c2)nc1 ZINC000737656041 1427163985 /nfs/dbraw/zinc/16/39/85/1427163985.db2.gz GTNPSNKOVJXXQP-UHFFFAOYSA-N -1 0 389.394 3.426 20 30 GGEDRM N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000822801865 1427166896 /nfs/dbraw/zinc/16/68/96/1427166896.db2.gz PTAZDYDIUXRBNJ-NZAJQASQSA-N -1 0 384.443 3.178 20 30 GGEDRM N#Cc1cc(NCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)ccc1Cl ZINC000822823644 1427212635 /nfs/dbraw/zinc/21/26/35/1427212635.db2.gz VYZGVOKVLNJSTO-UHFFFAOYSA-N -1 0 378.783 3.054 20 30 GGEDRM COCCOc1ccccc1C=C1CCc2cc(-c3nn[n-]n3)ccc2C1=O ZINC000821693549 1427291284 /nfs/dbraw/zinc/29/12/84/1427291284.db2.gz DFAWYJQFIXWNAK-DTQAZKPQSA-N -1 0 376.416 3.104 20 30 GGEDRM C#Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)OC)cc2Br)c1 ZINC000174669641 1427299325 /nfs/dbraw/zinc/29/93/25/1427299325.db2.gz VRQQSABGUDVJQV-UHFFFAOYSA-N -1 0 394.246 3.018 20 30 GGEDRM CCCOc1ccc2c(c1)C(=O)C(=Cc1ccc(OC)c(-c3nn[n-]n3)c1)CO2 ZINC000736492770 1427345791 /nfs/dbraw/zinc/34/57/91/1427345791.db2.gz PPMNMCPCCPTYSL-NTEUORMPSA-N -1 0 392.415 3.323 20 30 GGEDRM Cc1nc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3C#N)c(F)c2)cn1C ZINC000174771495 1427358880 /nfs/dbraw/zinc/35/88/80/1427358880.db2.gz SMLZPSCGNBWWSY-UHFFFAOYSA-N -1 0 386.408 3.332 20 30 GGEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@@H]1CCCO[C@@H]1C(C)C ZINC000819743101 1427370770 /nfs/dbraw/zinc/37/07/70/1427370770.db2.gz CNJMOLQFYMTEHG-RBUKOAKNSA-N -1 0 398.511 3.016 20 30 GGEDRM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N(Cc1ccco1)c1ccccc1C#N ZINC000826244243 1427414951 /nfs/dbraw/zinc/41/49/51/1427414951.db2.gz LHCUTAVAUCMACW-UHFFFAOYSA-N -1 0 384.399 3.487 20 30 GGEDRM N#Cc1cccc(Oc2ccc(NC(=O)c3ccc(-c4nnn[n-]4)s3)cn2)c1 ZINC000822837124 1427416625 /nfs/dbraw/zinc/41/66/25/1427416625.db2.gz FWXOQOBBRCPEFB-UHFFFAOYSA-N -1 0 389.400 3.239 20 30 GGEDRM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@H](C#N)c1ccc(Cl)c(Cl)c1 ZINC000826245953 1427419117 /nfs/dbraw/zinc/41/91/17/1427419117.db2.gz NJEZNDYCLAXXAI-OAHLLOKOSA-N -1 0 387.230 3.477 20 30 GGEDRM C=CCc1ccc(OCC(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c(OC)c1 ZINC000819758998 1427447920 /nfs/dbraw/zinc/44/79/20/1427447920.db2.gz KJQVXJBWMIHJCH-AWEZNQCLSA-N -1 0 394.431 3.287 20 30 GGEDRM COc1cc2c(c(C=C3CCc4cc(-c5nn[n-]n5)ccc4C3=O)c1)O[C@H](C)C2 ZINC000821713441 1427452463 /nfs/dbraw/zinc/45/24/63/1427452463.db2.gz XNLYUMWCHDHDJX-ZMTLZGASSA-N -1 0 388.427 3.411 20 30 GGEDRM CCCCCCC[C@@]1(C)NC(=O)N([N-]C(=O)c2cnc(CCC)s2)C1=O ZINC000174992513 1427484225 /nfs/dbraw/zinc/48/42/25/1427484225.db2.gz QHROHSBMERWCSL-GOSISDBHSA-N -1 0 380.514 3.411 20 30 GGEDRM O=C1c2ccc(-c3nn[n-]n3)cc2CCC1=Cc1c(Cl)nc2ccccn21 ZINC000823498483 1427498403 /nfs/dbraw/zinc/49/84/03/1427498403.db2.gz RKACLBNYDFEECI-ZRDIBKRKSA-N -1 0 376.807 3.380 20 30 GGEDRM Cc1ccc(C(C)C)cc1OCC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000737317947 1427500014 /nfs/dbraw/zinc/50/00/14/1427500014.db2.gz QTFCXUORSKTEGX-UHFFFAOYSA-N -1 0 376.420 3.188 20 30 GGEDRM C=CCOCC(=O)N(Cc1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1C ZINC000735437653 1427529291 /nfs/dbraw/zinc/52/92/91/1427529291.db2.gz NMKMOHYOSQOMKQ-UHFFFAOYSA-N -1 0 381.411 3.050 20 30 GGEDRM CC[C@H](Oc1cccc(C)c1)C(=O)[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000175152520 1427570726 /nfs/dbraw/zinc/57/07/26/1427570726.db2.gz HNPKXETWUWUPCN-KRWDZBQOSA-N -1 0 392.864 3.183 20 30 GGEDRM CCn1c2ccccc2nc1C(C)N=Nc1oc(CC(C)C)nc1-c1nn[n-]n1 ZINC000736721031 1427589059 /nfs/dbraw/zinc/58/90/59/1427589059.db2.gz ZZQOETBPFCWISH-UHFFFAOYSA-N -1 0 393.455 3.259 20 30 GGEDRM N#Cc1ccc(NC(=O)NCc2cccc(-c3nn[n-]n3)c2)cc1C(F)(F)F ZINC000822829854 1427599501 /nfs/dbraw/zinc/59/95/01/1427599501.db2.gz MBIWIDSUPAFWGM-UHFFFAOYSA-N -1 0 387.325 3.079 20 30 GGEDRM N#Cc1ccc(NC(=O)c2occc2COc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737719517 1427604634 /nfs/dbraw/zinc/60/46/34/1427604634.db2.gz RAAIPQPBTPQWHV-UHFFFAOYSA-N -1 0 386.371 3.163 20 30 GGEDRM COc1cc(OC)c(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)cc1Cl ZINC000821723948 1427617595 /nfs/dbraw/zinc/61/75/95/1427617595.db2.gz NJGWSAAOJTZOQO-HYXAFXHYSA-N -1 0 376.825 3.495 20 30 GGEDRM CN(C(=O)CSc1ccc(-c2nn[n-]n2)cc1Cl)C1(C#N)CCCCC1 ZINC000821570848 1427627206 /nfs/dbraw/zinc/62/72/06/1427627206.db2.gz NZLNPSXYTVLLON-UHFFFAOYSA-N -1 0 390.900 3.297 20 30 GGEDRM N#Cc1ccc(F)c(COC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737718885 1427645381 /nfs/dbraw/zinc/64/53/81/1427645381.db2.gz PTZXLIXSDOFPOX-UHFFFAOYSA-N -1 0 395.394 3.170 20 30 GGEDRM CC(C)(C)CC(=O)Nc1ccc(Cl)c(C(=O)Nc2nc(C#N)c(C#N)[n-]2)c1 ZINC000175296322 1427654840 /nfs/dbraw/zinc/65/48/40/1427654840.db2.gz NRMAHWSUSGZLKA-UHFFFAOYSA-N -1 0 384.827 3.433 20 30 GGEDRM C=CCn1c(=O)c2ccc(C(=O)Nc3cc(C)cnc3OC)cc2[n-]c1=S ZINC000175381028 1427720348 /nfs/dbraw/zinc/72/03/48/1427720348.db2.gz SQMLOYTVURYDLM-UHFFFAOYSA-N -1 0 382.445 3.209 20 30 GGEDRM CC(C)(C)n1cc(C#N)cc1NC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000735661516 1427733158 /nfs/dbraw/zinc/73/31/58/1427733158.db2.gz MRFCTITZUDIHEQ-UHFFFAOYSA-N -1 0 381.465 3.026 20 30 GGEDRM N#Cc1cccc(-c2c[nH]c(CNc3cc(-c4nn[n-]n4)nc4ccccc43)n2)c1 ZINC000826386485 1427741455 /nfs/dbraw/zinc/74/14/55/1427741455.db2.gz HCVWOKDJOMKKJP-UHFFFAOYSA-N -1 0 393.414 3.289 20 30 GGEDRM CCOc1ccc(C=NOCc2cn3ccccc3c2-c2nn[n-]n2)cc1OC ZINC000821417778 1427748296 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ZINC000190684574 1432441990 /nfs/dbraw/zinc/44/19/90/1432441990.db2.gz FWPIDOQEQDHZSV-HNNXBMFYSA-N -1 0 377.429 3.015 20 30 GGEDRM CC(C)S(=O)(=O)c1ccc(C([O-])=C(C#N)c2cnc3ccccc3n2)cc1 ZINC000190891210 1432520659 /nfs/dbraw/zinc/52/06/59/1432520659.db2.gz BPZRGHNGTWDVEH-INIZCTEOSA-N -1 0 379.441 3.302 20 30 GGEDRM Cc1cc(S(C)(=O)=O)cc(C([O-])=C(C#N)c2cnc3ccccc3n2)c1C ZINC000190930431 1432531793 /nfs/dbraw/zinc/53/17/93/1432531793.db2.gz NCNJKYSKVIYIJS-MRXNPFEDSA-N -1 0 379.441 3.140 20 30 GGEDRM CCc1ccc(C([O-])=C(C#N)c2cnc3ccccc3n2)cc1S(C)(=O)=O ZINC000190972899 1432541114 /nfs/dbraw/zinc/54/11/14/1432541114.db2.gz OMIRPBGTQMQYAO-OAHLLOKOSA-N -1 0 379.441 3.086 20 30 GGEDRM C=CCN(CC(=O)[O-])C(=O)c1cc(-c2cccs2)nc2c1cnn2C(C)C ZINC000191253476 1432606739 /nfs/dbraw/zinc/60/67/39/1432606739.db2.gz PZZMZNMSQRPWDS-UHFFFAOYSA-N -1 0 384.461 3.454 20 30 GGEDRM Cn1cnc2cc(C([O-])=C(C#N)c3nc(-c4ccc(C#N)cc4)cs3)cnc21 ZINC000191507286 1432675264 /nfs/dbraw/zinc/67/52/64/1432675264.db2.gz 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COCCCNC(=O)C(C#N)=C([O-])c1cc(C)n([C@@H](C)c2ccccc2)c1C ZINC000193361566 1432985379 /nfs/dbraw/zinc/98/53/79/1432985379.db2.gz LJLLKOCEUJWLSY-OXJNMPFZSA-N -1 0 381.476 3.189 20 30 GGEDRM COCCCNC(=O)C(C#N)=C([O-])c1sc(-c2ccc(Cl)cc2)nc1C ZINC000193360148 1432985401 /nfs/dbraw/zinc/98/54/01/1432985401.db2.gz IGYGZQSXHBWWCQ-AWEZNQCLSA-N -1 0 391.880 3.247 20 30 GGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1cc(OC)c(Br)c(OC)c1 ZINC000193378743 1432987730 /nfs/dbraw/zinc/98/77/30/1432987730.db2.gz SLRIQWFVLDBRKK-LBPRGKRZSA-N -1 0 397.269 3.095 20 30 GGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc(CNC(=O)c2cccs2)cc1 ZINC000193380969 1432988352 /nfs/dbraw/zinc/98/83/52/1432988352.db2.gz YSAQRFFVPIXBFW-QGZVFWFLSA-N -1 0 397.500 3.307 20 30 GGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc(COc2ccccc2C#N)o1 ZINC000193382804 1432988606 /nfs/dbraw/zinc/98/86/06/1432988606.db2.gz RQZFRHRSADFVIJ-QGZVFWFLSA-N -1 0 379.416 3.359 20 30 GGEDRM N#CC(C(=O)NCc1ccccc1)=C([O-])c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000193406439 1432992605 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3.094 20 30 GGEDRM C=CCn1c(=O)c2ccc(C(=O)NC[C@H]3Cc4ccccc43)cc2[n-]c1=S ZINC000194072109 1433112013 /nfs/dbraw/zinc/11/20/13/1433112013.db2.gz YVEADFJVFXCGCC-OAHLLOKOSA-N -1 0 377.469 3.315 20 30 GGEDRM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(C(C)(C)C#N)cc1 ZINC000194142905 1433125181 /nfs/dbraw/zinc/12/51/81/1433125181.db2.gz CHOBQXMFDCRMAA-UHFFFAOYSA-N -1 0 375.406 3.205 20 30 GGEDRM CC(C)(C#N)c1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cc3c2CCC3)cc1 ZINC000194142803 1433125362 /nfs/dbraw/zinc/12/53/62/1433125362.db2.gz VWUPNRMVOYEMTM-UHFFFAOYSA-N -1 0 384.457 3.475 20 30 GGEDRM N#Cc1ccccc1[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000194189662 1433134921 /nfs/dbraw/zinc/13/49/21/1433134921.db2.gz FEDPDHFGOSKFJU-UHFFFAOYSA-N -1 0 382.195 3.030 20 30 GGEDRM C=CCn1c(=O)c2ccc(C(=O)N[C@]3(C#N)CCC[C@@H](C)C3)cc2[n-]c1=S ZINC000194191863 1433135190 /nfs/dbraw/zinc/13/51/90/1433135190.db2.gz LFUYFOGRLQPUEJ-ZUOKHONESA-N -1 0 382.489 3.073 20 30 GGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1nc(C2CC2)n(-c2ccccc2Cl)n1 ZINC000194582020 1433201397 /nfs/dbraw/zinc/20/13/97/1433201397.db2.gz OYSXZIMHMLWVHL-CQSZACIVSA-N -1 0 399.882 3.427 20 30 GGEDRM N#CC(C(=O)NCc1ccccc1)=C([O-])c1ccc(OCc2ccccc2)nc1 ZINC000194680086 1433214615 /nfs/dbraw/zinc/21/46/15/1433214615.db2.gz YEKVDOQNZYVSLY-FQEVSTJZSA-N -1 0 385.423 3.299 20 30 GGEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1ccc(OCc2ccccc2)nc1 ZINC000194680196 1433214704 /nfs/dbraw/zinc/21/47/04/1433214704.db2.gz IDJNBIOAWJPCSK-IBGZPJMESA-N -1 0 377.444 3.432 20 30 GGEDRM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccnn1Cc1ccc(F)cc1 ZINC000194765838 1433226936 /nfs/dbraw/zinc/22/69/36/1433226936.db2.gz OQVRAIZZEMJWNX-UHFFFAOYSA-N -1 0 390.827 3.396 20 30 GGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2nnc(Cc3ccc(F)cc3)o2)cc1Cl ZINC000194808792 1433236982 /nfs/dbraw/zinc/23/69/82/1433236982.db2.gz ROYJWLFYFOAFAI-UHFFFAOYSA-N -1 0 392.799 3.125 20 30 GGEDRM CCCCCCCS(=O)(=O)[N-]c1nc2ccc(Br)cn2n1 ZINC000194809672 1433237572 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GGEDRM CC1=CC(=O)C(=C([O-])C=Cc2cn(-c3ccccc3)nc2-c2ccncc2)C(=O)O1 ZINC000255684286 1433887940 /nfs/dbraw/zinc/88/79/40/1433887940.db2.gz HYBOIXDDKKYXEI-GIWCCYDRSA-N -1 0 399.406 3.163 20 30 GGEDRM COc1ccc(N=Cc2cc(Br)ccc2O)cc1[N-]S(C)(=O)=O ZINC000255767372 1433889315 /nfs/dbraw/zinc/88/93/15/1433889315.db2.gz GUIVSVSIBBDWKQ-UHFFFAOYSA-N -1 0 399.266 3.285 20 30 GGEDRM COc1ccc(C(=O)N(C)C)cc1N=Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000255845898 1433890254 /nfs/dbraw/zinc/89/02/54/1433890254.db2.gz MGJQBWKNUZYEDT-UHFFFAOYSA-N -1 0 377.784 3.415 20 30 GGEDRM O=C1[C@H](/N=C\c2cc(Cl)cc([N+](=O)[O-])c2[O-])CCN1c1ccccc1F ZINC000255866229 1433890509 /nfs/dbraw/zinc/89/05/09/1433890509.db2.gz LRUYNBVQSCYVNO-HHGUGQKFSA-N -1 0 377.759 3.317 20 30 GGEDRM O=C1[C@@H](/N=C\c2cc(Cl)cc([N+](=O)[O-])c2[O-])CCN1c1ccccc1F ZINC000255866228 1433890561 /nfs/dbraw/zinc/89/05/61/1433890561.db2.gz LRUYNBVQSCYVNO-CCSWUNFSSA-N -1 0 377.759 3.317 20 30 GGEDRM O=[N+]([O-])c1ccc([O-])c(/C=N\C[C@@H](O)COc2cccc(C(F)(F)F)c2)c1 ZINC000255890400 1433891014 /nfs/dbraw/zinc/89/10/14/1433891014.db2.gz PODRMESRRAXRSD-LQAOBTILSA-N -1 0 384.310 3.178 20 30 GGEDRM C=CCC[C@@H](NC(=O)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000262823248 1433959031 /nfs/dbraw/zinc/95/90/31/1433959031.db2.gz FEISTJXPUYKNHH-HUUCEWRRSA-N -1 0 399.274 3.134 20 30 GGEDRM C=CCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000262823245 1433959034 /nfs/dbraw/zinc/95/90/34/1433959034.db2.gz FEISTJXPUYKNHH-GJZGRUSLSA-N -1 0 399.274 3.134 20 30 GGEDRM C=CCC[C@H](NC(=O)CCCc1nc(-c2ccc(Cl)cc2)no1)C(=O)[O-] ZINC000262846446 1433960881 /nfs/dbraw/zinc/96/08/81/1433960881.db2.gz HKINJZLHVMXSRR-AWEZNQCLSA-N -1 0 377.828 3.248 20 30 GGEDRM C=CCC[C@@H](NC(=O)CCCc1nc(-c2ccc(Cl)cc2)no1)C(=O)[O-] ZINC000262846451 1433960904 /nfs/dbraw/zinc/96/09/04/1433960904.db2.gz HKINJZLHVMXSRR-CQSZACIVSA-N -1 0 377.828 3.248 20 30 GGEDRM 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C=C1CCN(C(=O)c2cccc(COc3ccccc3-c3nn[n-]n3)c2)CC1 ZINC000735403133 1443176922 /nfs/dbraw/zinc/17/69/22/1443176922.db2.gz PYGHTTALFKWYJP-UHFFFAOYSA-N -1 0 375.432 3.238 20 30 GGEDRM C#Cc1ccc(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)cn1 ZINC000735390358 1443182706 /nfs/dbraw/zinc/18/27/06/1443182706.db2.gz YAAZRJIBPHBVNQ-UHFFFAOYSA-N -1 0 382.383 3.288 20 30 GGEDRM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 ZINC000826249956 1443192401 /nfs/dbraw/zinc/19/24/01/1443192401.db2.gz CTHLBIHRQUPTQX-UHFFFAOYSA-N -1 0 397.398 3.486 20 30 GGEDRM C=CC1CCN(C(=O)Nc2ccn(-c3ccc(Cl)cc3-c3nn[n-]n3)n2)CC1 ZINC000823887941 1443217908 /nfs/dbraw/zinc/21/79/08/1443217908.db2.gz BHLFRPLDHRZOIX-UHFFFAOYSA-N -1 0 398.858 3.136 20 30 GGEDRM N#CCCSc1ccccc1NC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000737693157 1443221650 /nfs/dbraw/zinc/22/16/50/1443221650.db2.gz DAZBJIFBDOHWKD-UHFFFAOYSA-N -1 0 378.461 3.444 20 30 GGEDRM CCN(CCC#N)C(=O)c1ccccc1Sc1ccccc1-c1nn[n-]n1 ZINC000825420033 1443234369 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ZINC000568371103 953644271 /nfs/dbraw/zinc/64/42/71/953644271.db2.gz BKLPLFHTSNUPJP-MRXNPFEDSA-N -1 0 395.463 3.415 20 30 GGEDRM C[C@H]1CC[C@@H](C(=O)[O-])CN1CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC001589303773 953717031 /nfs/dbraw/zinc/71/70/31/953717031.db2.gz CYBFVHOYHWMXSR-QWHCGFSZSA-N -1 0 375.494 3.012 20 30 GGEDRM C[C@@H]1CC[C@H](C(=O)[O-])CN1CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC001589303772 953717760 /nfs/dbraw/zinc/71/77/60/953717760.db2.gz CYBFVHOYHWMXSR-OLZOCXBDSA-N -1 0 375.494 3.012 20 30 GGEDRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)C1 ZINC000591560510 953742553 /nfs/dbraw/zinc/74/25/53/953742553.db2.gz ISNZXQKTKAASNU-DZGCQCFKSA-N -1 0 380.404 3.320 20 30 GGEDRM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)C1 ZINC000591560477 953742832 /nfs/dbraw/zinc/74/28/32/953742832.db2.gz AZODGSIZENJUTK-DZGCQCFKSA-N -1 0 380.404 3.320 20 30 GGEDRM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)C1 ZINC000591560512 953743030 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ICRDYIFKEWFUTO-SZNDQCEHSA-N -1 0 380.400 3.228 20 30 GGEDRM CC(C)C[C@H](CNC(=O)C1CCN(c2ccc(C#N)cc2F)CC1)CC(=O)[O-] ZINC001603042462 972106113 /nfs/dbraw/zinc/10/61/13/972106113.db2.gz PGINTNOZVQXJBC-INIZCTEOSA-N -1 0 389.471 3.167 20 30 GGEDRM N#CCOc1ccc(CNC(=O)N2CCC(c3ccccc3C(=O)[O-])CC2)cc1 ZINC000840986146 955567486 /nfs/dbraw/zinc/56/74/86/955567486.db2.gz HUQBZSNMQDHEAJ-UHFFFAOYSA-N -1 0 393.443 3.376 20 30 GGEDRM Cn1cc([C@@H]2C[C@@H](C(=O)[O-])CN(c3cc(C(F)(F)F)c(F)cc3C#N)C2)cn1 ZINC001594540325 955632246 /nfs/dbraw/zinc/63/22/46/955632246.db2.gz ZMIDXRDRVFILTF-VXGBXAGGSA-N -1 0 396.344 3.144 20 30 GGEDRM CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c1 ZINC000848579639 955751635 /nfs/dbraw/zinc/75/16/35/955751635.db2.gz KSPJORSSJMZFAQ-LFVTVUPYSA-N -1 0 387.480 3.302 20 30 GGEDRM CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c1 ZINC000848579640 955752090 /nfs/dbraw/zinc/75/20/90/955752090.db2.gz KSPJORSSJMZFAQ-QXRTWZOPSA-N -1 0 387.480 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ZINC001594608805 956187774 /nfs/dbraw/zinc/18/77/74/956187774.db2.gz BVHXQUNHUKYXFF-IOBOIYPZSA-N -1 0 385.464 3.133 20 30 GGEDRM N#CCCCN1C(=O)CCc2cc(NC(=O)[C@]3(C(=O)[O-])CC=CCC3)ccc21 ZINC001594608823 956187884 /nfs/dbraw/zinc/18/78/84/956187884.db2.gz CBNXVZSAJBHHGM-NRFANRHFSA-N -1 0 381.432 3.019 20 30 GGEDRM N#CCCCn1cc(C(=O)NC[C@@H]2CCC3(CC(C(=O)[O-])C3)O2)c2ccccc21 ZINC001594609057 956190352 /nfs/dbraw/zinc/19/03/52/956190352.db2.gz LJDQPVIAGPAVRD-BXFSZVDSSA-N -1 0 395.459 3.087 20 30 GGEDRM N#Cc1cc(Br)ccc1C(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001594614116 956228256 /nfs/dbraw/zinc/22/82/56/956228256.db2.gz JLZHELLSWXTIIB-HZPDHXFCSA-N -1 0 385.217 3.364 20 30 GGEDRM N#Cc1cc(Br)ccc1CC(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC001594613923 956228699 /nfs/dbraw/zinc/22/86/99/956228699.db2.gz HLECWAKPHFDVRF-GOSISDBHSA-N -1 0 399.244 3.074 20 30 GGEDRM N#Cc1c(C#N)c2c(nc1NC[C@H]1CCC3(CC(C(=O)[O-])C3)O1)CCCCCC2 ZINC001594614458 956232145 /nfs/dbraw/zinc/23/21/45/956232145.db2.gz 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380.444 3.364 20 30 GGEDRM C#CCN(CC(=O)[O-])C(=O)N[C@H](C)c1ccc(OCc2cccc(C)c2)cc1 ZINC001573317037 958447006 /nfs/dbraw/zinc/44/70/06/958447006.db2.gz ADEQVVLJVBPGOP-QGZVFWFLSA-N -1 0 380.444 3.364 20 30 GGEDRM C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC001588457719 958454242 /nfs/dbraw/zinc/45/42/42/958454242.db2.gz BHGZAACAHZOQGR-MRXNPFEDSA-N -1 0 376.453 3.251 20 30 GGEDRM C#C[C@@H](NC(=O)N1CCC[C@](CC)(C(=O)[O-])C1)c1ccc(Br)cc1 ZINC001573317788 958456231 /nfs/dbraw/zinc/45/62/31/958456231.db2.gz GESMJHYVOWSGCY-QAPCUYQASA-N -1 0 393.281 3.410 20 30 GGEDRM C=CC[C@@]1(C(=O)Nc2ccnc(C(=O)[O-])c2)CCCN1C(=O)OC(C)(C)C ZINC001588458138 958458494 /nfs/dbraw/zinc/45/84/94/958458494.db2.gz QZKZUEGIJPBFAO-IBGZPJMESA-N -1 0 375.425 3.064 20 30 GGEDRM C=CC[C@@]1(C(=O)N2CCC[C@H](CC(=O)[O-])C2)CCCN1C(=O)OC(C)(C)C ZINC001588458752 958465673 /nfs/dbraw/zinc/46/56/73/958465673.db2.gz YREOLICPEMTKOM-QRWLVFNGSA-N -1 0 380.485 3.046 20 30 GGEDRM C#CCN(CC(=O)[O-])C(=O)[C@H](Oc1ccc(F)cc1Cl)c1ccccc1 ZINC001573318676 958467520 /nfs/dbraw/zinc/46/75/20/958467520.db2.gz QIWQCZRLTNJTSA-GOSISDBHSA-N -1 0 375.783 3.146 20 30 GGEDRM C#CCN(CC(=O)[O-])C(=O)c1ccccc1Oc1cccc(Br)c1 ZINC001573321161 958481260 /nfs/dbraw/zinc/48/12/60/958481260.db2.gz UQWQZCSBASFOQU-UHFFFAOYSA-N -1 0 388.217 3.401 20 30 GGEDRM C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2coc(/C=C\C(=O)[O-])c2)cc1 ZINC001588463300 958483341 /nfs/dbraw/zinc/48/33/41/958483341.db2.gz LZHCNVUYOOFEEE-KTKRTIGZSA-N -1 0 380.400 3.444 20 30 GGEDRM C#CCOc1ccc(C(=O)Nc2sc(C(=O)OCC)c(C)c2C(=O)[O-])cc1 ZINC001573327486 958490011 /nfs/dbraw/zinc/49/00/11/958490011.db2.gz OMEOSPHRLNEILG-UHFFFAOYSA-N -1 0 387.413 3.196 20 30 GGEDRM C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C(=O)[O-])c1cccc(C)c1 ZINC001573328335 958498639 /nfs/dbraw/zinc/49/86/39/958498639.db2.gz GUSGEYROVBOYOL-DLBZAZTESA-N -1 0 390.480 3.487 20 30 GGEDRM C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC001573328560 958499874 /nfs/dbraw/zinc/49/98/74/958499874.db2.gz JQQKHAOMPATXJN-HOTGVXAUSA-N -1 0 382.501 3.482 20 30 GGEDRM Cc1ccc(N(CCC#N)C(=O)CN[C@@H](C(=O)[O-])c2ccc(F)cc2)cc1C ZINC001594367830 958503717 /nfs/dbraw/zinc/50/37/17/958503717.db2.gz YLCRYASTJUUVTN-HXUWFJFHSA-N -1 0 383.423 3.105 20 30 GGEDRM C=CCNC(=O)c1ccc(NC(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)cc1 ZINC001588465582 958506359 /nfs/dbraw/zinc/50/63/59/958506359.db2.gz UXXINNQOHMVTSV-QZTJIDSGSA-N -1 0 379.416 3.037 20 30 GGEDRM C=CCOc1ccc(Br)cc1NC(=O)c1ccc(C(=O)[O-])cn1 ZINC001588466250 958508755 /nfs/dbraw/zinc/50/87/55/958508755.db2.gz DRCKLRXKEDSWDG-UHFFFAOYSA-N -1 0 377.194 3.359 20 30 GGEDRM C=CCOc1ccc(/C=C\C(=O)N[C@H](C(=O)[O-])c2ccc(F)cc2)cc1OC ZINC001588466361 958509599 /nfs/dbraw/zinc/50/95/99/958509599.db2.gz LPLZIZQPXXEOST-ITJCZCKWSA-N -1 0 385.391 3.354 20 30 GGEDRM C=CCn1c(-c2cc(C)nc3ccccc32)nnc1N1CCC(C(=O)[O-])CC1 ZINC001588470122 958522754 /nfs/dbraw/zinc/52/27/54/958522754.db2.gz DRVDUIMEBNEZPL-UHFFFAOYSA-N -1 0 377.448 3.289 20 30 GGEDRM C=CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001588470738 958531231 /nfs/dbraw/zinc/53/12/31/958531231.db2.gz TXVGILMCCHJHQQ-QWHCGFSZSA-N -1 0 376.844 3.168 20 30 GGEDRM C=CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001588470736 958531573 /nfs/dbraw/zinc/53/15/73/958531573.db2.gz TXVGILMCCHJHQQ-CHWSQXEVSA-N -1 0 376.844 3.168 20 30 GGEDRM C=CCn1ncc2ccc(NC(=O)NC[C@](C)(C(=O)[O-])c3ccccc3)cc21 ZINC001588474435 958556609 /nfs/dbraw/zinc/55/66/09/958556609.db2.gz JNYVGTABQVRCTH-NRFANRHFSA-N -1 0 378.432 3.386 20 30 GGEDRM N#Cc1ccc(NS(=O)(=O)c2ccc(CC(=O)[O-])cc2)cc1C(F)(F)F ZINC000131897585 958757528 /nfs/dbraw/zinc/75/75/28/958757528.db2.gz WDEFTKQILHIPIF-UHFFFAOYSA-N -1 0 384.335 3.005 20 30 GGEDRM CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)Nc1ccccc1C(=O)[O-] ZINC001573436874 958806469 /nfs/dbraw/zinc/80/64/69/958806469.db2.gz BZNYXPMATGRHTP-OAHLLOKOSA-N -1 0 375.425 3.301 20 30 GGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N1CCC(F)(c2ccccc2C(F)(F)F)CC1 ZINC001588534360 958919994 /nfs/dbraw/zinc/91/99/94/958919994.db2.gz FHJZLSHOQFTOOQ-MRXNPFEDSA-N -1 0 386.345 3.497 20 30 GGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1CCCSc2ccc(Br)cc21 ZINC001588537909 958935682 /nfs/dbraw/zinc/93/56/82/958935682.db2.gz AGASSTGBQKATNN-WBMJQRKESA-N -1 0 397.294 3.497 20 30 GGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N[C@H]1CCCCc2cc(Br)ccc21 ZINC001588538176 958939299 /nfs/dbraw/zinc/93/92/99/958939299.db2.gz DQFCXJUSAFQBRQ-WMLDXEAASA-N -1 0 379.254 3.337 20 30 GGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@H]1CCCc2sc(-c3ccc(F)cc3)nc21 ZINC001588539030 958949767 /nfs/dbraw/zinc/94/97/67/958949767.db2.gz UOEFDYUGBSDMPV-DJJJIMSYSA-N -1 0 387.436 3.447 20 30 GGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1CCCc2sc(-c3ccc(F)cc3)nc21 ZINC001588539032 958949859 /nfs/dbraw/zinc/94/98/59/958949859.db2.gz UOEFDYUGBSDMPV-YJYMSZOUSA-N -1 0 387.436 3.447 20 30 GGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1nc2c(cc(F)cc2Br)s1 ZINC001588539908 958954668 /nfs/dbraw/zinc/95/46/68/958954668.db2.gz FQIZKHADHBUYBK-CYBMUJFWSA-N -1 0 386.202 3.141 20 30 GGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1cc(C(F)(F)F)ccc1Br ZINC001588541392 958961722 /nfs/dbraw/zinc/96/17/22/958961722.db2.gz ASYHTJHIWNSIOR-GFCCVEGCSA-N -1 0 379.132 3.411 20 30 GGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(OC(F)(F)F)c(Br)c1 ZINC001588541803 958965657 /nfs/dbraw/zinc/96/56/57/958965657.db2.gz MQKPNMFIUPJLIA-GFCCVEGCSA-N -1 0 395.131 3.291 20 30 GGEDRM Cc1c(C(=O)/C=C/c2ccc(OCC(=O)[O-])cc2)nnn1-c1ccc(C)cc1 ZINC000141598457 958975133 /nfs/dbraw/zinc/97/51/33/958975133.db2.gz IIMMJGHJJHGBKG-KPKJPENVSA-N -1 0 377.400 3.244 20 30 GGEDRM C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccc(C(=O)[O-])cn1 ZINC001588543505 958979711 /nfs/dbraw/zinc/97/97/11/958979711.db2.gz MYMBXCUTLPGKQQ-LLVKDONJSA-N -1 0 377.322 3.353 20 30 GGEDRM C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC001588545163 958993982 /nfs/dbraw/zinc/99/39/82/958993982.db2.gz OMHBAZUEDJOYQZ-JXFKEZNVSA-N -1 0 377.444 3.006 20 30 GGEDRM C[C@H](C(=O)N(CCC#N)c1ccccc1)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC001588545166 958995117 /nfs/dbraw/zinc/99/51/17/958995117.db2.gz OMHBAZUEDJOYQZ-UZLBHIALSA-N -1 0 377.444 3.006 20 30 GGEDRM Cc1cccc(N(CCC#N)S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2F)c1 ZINC000156332485 959051293 /nfs/dbraw/zinc/05/12/93/959051293.db2.gz LFNBZICMIRFNEG-UHFFFAOYSA-N -1 0 376.409 3.250 20 30 GGEDRM CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001573500276 959057549 /nfs/dbraw/zinc/05/75/49/959057549.db2.gz QHDLYTOHMYUGCT-QKNQBKEWSA-N -1 0 392.455 3.288 20 30 GGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)NCc1ccc2ccc(Br)cc2c1 ZINC001588557751 959071657 /nfs/dbraw/zinc/07/16/57/959071657.db2.gz LFZCKTXWFOZDOT-QGZVFWFLSA-N -1 0 375.222 3.223 20 30 GGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)NCc1ccc2ccc(Br)cc2c1 ZINC001588557749 959071734 /nfs/dbraw/zinc/07/17/34/959071734.db2.gz LFZCKTXWFOZDOT-KRWDZBQOSA-N -1 0 375.222 3.223 20 30 GGEDRM Cc1nc(SCC(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])c(C#N)c(C)c1C ZINC001594460564 959454460 /nfs/dbraw/zinc/45/44/60/959454460.db2.gz DGQVBJAKBIDGSQ-HNNXBMFYSA-N -1 0 377.510 3.366 20 30 GGEDRM C=C(C)[C@H](NS(=O)(=O)c1c(C)oc(C)c1C(=O)[O-])c1ccc(F)c(F)c1 ZINC000187123659 959503748 /nfs/dbraw/zinc/50/37/48/959503748.db2.gz MNUSIUUXTHAMKY-HNNXBMFYSA-N -1 0 385.388 3.469 20 30 GGEDRM C[C@H](NC(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1)C(=O)[O-] ZINC001594238008 959513418 /nfs/dbraw/zinc/51/34/18/959513418.db2.gz GYIIGMFVJIWOBP-QMMMGPOBSA-N -1 0 398.366 3.219 20 30 GGEDRM Cc1c(C)n(-c2ccccc2)c(NC(=O)CN(CC(=O)[O-])CC(C)(C)C)c1C#N ZINC001594253068 959629860 /nfs/dbraw/zinc/62/98/60/959629860.db2.gz NGAXSNMHOIXZNG-UHFFFAOYSA-N -1 0 396.491 3.337 20 30 GGEDRM Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)CS[C@@H](C)C(=O)[O-])c1C#N ZINC001594253400 959633132 /nfs/dbraw/zinc/63/31/32/959633132.db2.gz ZVKUKIKAHDJSBU-LBPRGKRZSA-N -1 0 375.425 3.250 20 30 GGEDRM CC(C)(C)C1CCC(C#N)(NC(=O)C2=NN(c3ccccc3)[C@H](C(=O)[O-])C2)CC1 ZINC001588642316 959700265 /nfs/dbraw/zinc/70/02/65/959700265.db2.gz BKRXMYKTQOMQDB-TUAABQIMSA-N -1 0 396.491 3.321 20 30 GGEDRM CC(C)(C)CC[C@H](NC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)C(=O)[O-] ZINC001588644769 959724083 /nfs/dbraw/zinc/72/40/83/959724083.db2.gz CJFWVGFLRNOPEH-CABCVRRESA-N -1 0 397.516 3.359 20 30 GGEDRM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)Nc2ccc(Oc3ccc(C#N)cn3)cc2)C1 ZINC001573698596 959808436 /nfs/dbraw/zinc/80/84/36/959808436.db2.gz NTMSUZAYSPILNK-HIFRSBDPSA-N -1 0 380.404 3.320 20 30 GGEDRM CN(C)c1cc(C#N)cc(C(=O)N2C[C@H](CCC(=O)[O-])Cc3ccccc32)c1 ZINC001604083083 972475214 /nfs/dbraw/zinc/47/52/14/972475214.db2.gz APUHSUUKLZLNOA-OAHLLOKOSA-N -1 0 377.444 3.308 20 30 GGEDRM CN(C)c1cc(C#N)cc(C(=O)N2C[C@@H](CCC(=O)[O-])Cc3ccccc32)c1 ZINC001604083082 972475432 /nfs/dbraw/zinc/47/54/32/972475432.db2.gz APUHSUUKLZLNOA-HNNXBMFYSA-N -1 0 377.444 3.308 20 30 GGEDRM C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1scc(-c2cnn(C)c2)c1C(=O)[O-] ZINC001603276090 972494878 /nfs/dbraw/zinc/49/48/78/972494878.db2.gz CFEWWSOSUIDINF-NSHDSACASA-N -1 0 396.428 3.124 20 30 GGEDRM C[C@H]1CCCN(C(=O)c2cccc(COc3ccccc3C#N)c2)[C@H]1C(=O)[O-] ZINC001573726075 960407309 /nfs/dbraw/zinc/40/73/09/960407309.db2.gz JQVFZLHJYRXHJB-MGPUTAFESA-N -1 0 378.428 3.463 20 30 GGEDRM C[C@H]1Cc2c(C(=O)[O-])c(NC(=O)CC3(C#N)CCOCC3)sc2[C@H](C)O1 ZINC001573746260 960494858 /nfs/dbraw/zinc/49/48/58/960494858.db2.gz JDQWFXYEQUXGAK-QWRGUYRKSA-N -1 0 378.450 3.117 20 30 GGEDRM C[C@@H]1Cc2c(C(=O)[O-])c(NC(=O)CC3(C#N)CCOCC3)sc2[C@H](C)O1 ZINC001573746258 960495130 /nfs/dbraw/zinc/49/51/30/960495130.db2.gz JDQWFXYEQUXGAK-MNOVXSKESA-N -1 0 378.450 3.117 20 30 GGEDRM C[C@@H]1CN(C(=O)c2ccc(OCc3ccccc3C#N)cc2)CC[C@H]1C(=O)[O-] ZINC001573749995 960547713 /nfs/dbraw/zinc/54/77/13/960547713.db2.gz YIHBFGWUYGAFOR-FOIQADDNSA-N -1 0 378.428 3.320 20 30 GGEDRM Cc1c(NC(=O)c2cccc(OCC(=O)[O-])c2)ccc(Br)c1C#N ZINC001574303826 960725177 /nfs/dbraw/zinc/72/51/77/960725177.db2.gz CSYCOUXQJYSGNC-UHFFFAOYSA-N -1 0 389.205 3.345 20 30 GGEDRM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1CCCC[C@H]1CC(=O)[O-] ZINC001574303871 960726714 /nfs/dbraw/zinc/72/67/14/960726714.db2.gz FUVJZEDUKAYIHZ-ZDUSSCGKSA-N -1 0 378.475 3.099 20 30 GGEDRM Cc1cc(N(CCC#N)C(=O)CN2[C@H](C)CCC[C@@H]2C(=O)[O-])ccc1Cl ZINC001574333030 960898319 /nfs/dbraw/zinc/89/83/19/960898319.db2.gz KDZZDETYQPMPPM-RHSMWYFYSA-N -1 0 377.872 3.223 20 30 GGEDRM Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)c1cc(C(=O)[O-])nn1C ZINC001574332957 960898827 /nfs/dbraw/zinc/89/88/27/960898827.db2.gz ICAOWCXGDJWALA-UHFFFAOYSA-N -1 0 392.390 3.285 20 30 GGEDRM C[C@@H](NC(=O)C(C)(C)C)C(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC000237477426 960941394 /nfs/dbraw/zinc/94/13/94/960941394.db2.gz ZTAKQXIZWQBMCK-OAHLLOKOSA-N -1 0 392.455 3.274 20 30 GGEDRM Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@]1(C(=O)[O-])CCCO1 ZINC001574343300 960950344 /nfs/dbraw/zinc/95/03/44/960950344.db2.gz OJBWBZFPQSXPFA-NRFANRHFSA-N -1 0 380.400 3.018 20 30 GGEDRM C#CCOc1ccc(C(=O)N(CC(=O)[O-])Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000238135872 961122008 /nfs/dbraw/zinc/12/20/08/961122008.db2.gz SHAFKKDTNYJYEW-UHFFFAOYSA-N -1 0 391.345 3.444 20 30 GGEDRM CCCc1c(NC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)cnn1-c1cccc(C#N)c1 ZINC001573864349 961183502 /nfs/dbraw/zinc/18/35/02/961183502.db2.gz FYKMJIYLCOTDKM-CABCVRRESA-N -1 0 381.436 3.071 20 30 GGEDRM CC(C)(CNC(=O)[C@](C)(C#N)CC(=O)[O-])Sc1ccc(Br)cc1 ZINC001588779286 961294113 /nfs/dbraw/zinc/29/41/13/961294113.db2.gz CDWSYIYJEWRNNO-INIZCTEOSA-N -1 0 399.310 3.441 20 30 GGEDRM Cn1cc(-c2csc(NC(=O)c3ccc(C#N)c(Cl)n3)c2C(=O)[O-])cn1 ZINC001574450414 961478311 /nfs/dbraw/zinc/47/83/11/961478311.db2.gz ZKRBETGSSUWVCW-UHFFFAOYSA-N -1 0 387.808 3.019 20 30 GGEDRM N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)C2(C(=O)[O-])CCCCC2)CC1 ZINC001574473943 961633663 /nfs/dbraw/zinc/63/36/63/961633663.db2.gz FLEKZWIFIVWDIA-QGZVFWFLSA-N -1 0 389.883 3.084 20 30 GGEDRM N#C[C@@H](NC(=O)c1coc(/C=C\C(=O)[O-])c1)c1ccccc1Br ZINC001574473789 961633924 /nfs/dbraw/zinc/63/39/24/961633924.db2.gz CSMLJZWCWYAATR-GEXIGZQTSA-N -1 0 375.178 3.135 20 30 GGEDRM N#CCCCN1C(=O)CCc2cc(NC(=O)c3coc(/C=C\C(=O)[O-])c3)ccc21 ZINC001574480303 961659844 /nfs/dbraw/zinc/65/98/44/961659844.db2.gz DITMWDDRBFKSQT-YVMONPNESA-N -1 0 393.399 3.213 20 30 GGEDRM N#CCCCN1C(=O)CCc2cc(NC(=O)c3coc(/C=C/C(=O)[O-])c3)ccc21 ZINC001574480302 961660148 /nfs/dbraw/zinc/66/01/48/961660148.db2.gz DITMWDDRBFKSQT-VMPITWQZSA-N -1 0 393.399 3.213 20 30 GGEDRM N#Cc1cc(F)cc(C2(C(=O)N3C[C@@H](c4ccccc4)[C@H](C(=O)[O-])C3)CC2)c1 ZINC001574485884 961679472 /nfs/dbraw/zinc/67/94/72/961679472.db2.gz MOOMFLQBNKIRPH-RBUKOAKNSA-N -1 0 378.403 3.056 20 30 GGEDRM N#Cc1ccc(CC(=O)N2CC[C@@H](C(=O)[O-])c3cc(Br)ccc32)cc1 ZINC001574486355 961683627 /nfs/dbraw/zinc/68/36/27/961683627.db2.gz UPUMACRAVIPYDM-OAHLLOKOSA-N -1 0 399.244 3.468 20 30 GGEDRM N#Cc1cccc(OCCCCC(=O)N2Cc3ccccc3[C@H](C(=O)[O-])C2)c1 ZINC001574488475 961694292 /nfs/dbraw/zinc/69/42/92/961694292.db2.gz AFASQZMFEYRLDM-HXUWFJFHSA-N -1 0 378.428 3.318 20 30 GGEDRM N#Cc1ccccc1CSCCNC(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC001574489135 961702185 /nfs/dbraw/zinc/70/21/85/961702185.db2.gz HKNQYAZUHKGGNO-LJQANCHMSA-N -1 0 395.484 3.185 20 30 GGEDRM N#Cc1cccc([C@H](NC(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])C(F)(F)F)c1 ZINC001574489611 961706175 /nfs/dbraw/zinc/70/61/75/961706175.db2.gz LRILRTSJGSEKDY-HOTGVXAUSA-N -1 0 391.349 3.157 20 30 GGEDRM C=CCOc1ccc(C(=O)NC[C@H](Cc2cccc(C)c2)C(=O)[O-])cc1OC ZINC000262529829 961761936 /nfs/dbraw/zinc/76/19/36/961761936.db2.gz SIBPXAKUGMWNIE-SFHVURJKSA-N -1 0 383.444 3.242 20 30 GGEDRM C=CCOc1cc(OC)ccc1C(=O)N1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000262895928 961970658 /nfs/dbraw/zinc/97/06/58/961970658.db2.gz LVCKTCSGUDZGPY-RTBURBONSA-N -1 0 381.428 3.200 20 30 GGEDRM C=CCOC[C@H](NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)[O-] ZINC000262916579 961998344 /nfs/dbraw/zinc/99/83/44/961998344.db2.gz FTWZGZBMWQZVBF-NSHDSACASA-N -1 0 385.260 3.110 20 30 GGEDRM C=CCOc1ccc(C(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)cc1OC ZINC000263024773 962134816 /nfs/dbraw/zinc/13/48/16/962134816.db2.gz YHIFAGXNEVLNER-ZWKOTPCHSA-N -1 0 381.428 3.200 20 30 GGEDRM C=CCOC[C@@H](NC(=O)c1cnn(C2CCCC2)c1-c1ccccc1)C(=O)[O-] ZINC000263175811 962328826 /nfs/dbraw/zinc/32/88/26/962328826.db2.gz JUCYXHUZJPURQT-GOSISDBHSA-N -1 0 383.448 3.051 20 30 GGEDRM C#CCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC(C(=O)[O-])CC1 ZINC001573302282 962648332 /nfs/dbraw/zinc/64/83/32/962648332.db2.gz UIFDTRPHUNSOJJ-UHFFFAOYSA-N -1 0 396.491 3.188 20 30 GGEDRM C#CC[C@H](NC(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C(=O)[O-] ZINC001573302852 962664083 /nfs/dbraw/zinc/66/40/83/962664083.db2.gz GVQHXJSIXXBEFY-AWEZNQCLSA-N -1 0 378.306 3.099 20 30 GGEDRM C#CCC1(NC(=O)Nc2nc(-c3ccccc3)c(CC(=O)[O-])s2)CCOCC1 ZINC001573304012 962685150 /nfs/dbraw/zinc/68/51/50/962685150.db2.gz WTAAUFNNKFAFFZ-UHFFFAOYSA-N -1 0 399.472 3.131 20 30 GGEDRM C#CCN(CC(=O)Nc1sc2c(c1C(=O)[O-])CCC2)[C@@H]1CCc2ccccc21 ZINC001573310711 962689114 /nfs/dbraw/zinc/68/91/14/962689114.db2.gz BMEYHJSFBRGIJS-QGZVFWFLSA-N -1 0 394.496 3.496 20 30 GGEDRM C#CCOc1cc(F)ccc1NC(=O)Nc1nc2c(s1)CC[C@H](C(=O)[O-])C2 ZINC001573311298 962698795 /nfs/dbraw/zinc/69/87/95/962698795.db2.gz LVVLQZOWPWLHAY-JTQLQIEISA-N -1 0 389.408 3.128 20 30 GGEDRM COCCOc1ccc(C#N)cc1NC(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001574164121 962716504 /nfs/dbraw/zinc/71/65/04/962716504.db2.gz FUZLNINDJMXVRE-DLBZAZTESA-N -1 0 395.415 3.018 20 30 GGEDRM COCCOc1ccc(C#N)cc1NC(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001574164129 962717592 /nfs/dbraw/zinc/71/75/92/962717592.db2.gz FUZLNINDJMXVRE-SJORKVTESA-N -1 0 395.415 3.018 20 30 GGEDRM C=C(C)C[C@H](NC(=O)Cn1c(COc2ccccc2)nc2ccccc21)C(=O)[O-] ZINC001573321165 962755162 /nfs/dbraw/zinc/75/51/62/962755162.db2.gz JJKJQDSUZNQNRT-SFHVURJKSA-N -1 0 393.443 3.151 20 30 GGEDRM C=C(C)C[C@H](NC(=O)CCCC(=O)c1ccc(Br)cc1)C(=O)[O-] ZINC001573321520 962758693 /nfs/dbraw/zinc/75/86/93/962758693.db2.gz NWBWUOWWJQHCTN-AWEZNQCLSA-N -1 0 382.254 3.338 20 30 GGEDRM C=C(C)[C@H](CC(=O)N1Cc2cccc(Br)c2C[C@H]1C(=O)[O-])OCC ZINC001573321699 962761841 /nfs/dbraw/zinc/76/18/41/962761841.db2.gz QAKSNFXZHPKKQD-HOTGVXAUSA-N -1 0 396.281 3.158 20 30 GGEDRM C=C(C)[C@@H](CC(=O)N1Cc2cccc(Br)c2C[C@H]1C(=O)[O-])OCC ZINC001573321701 962762620 /nfs/dbraw/zinc/76/26/20/962762620.db2.gz QAKSNFXZHPKKQD-JKSUJKDBSA-N -1 0 396.281 3.158 20 30 GGEDRM C=C(C)C[C@@H](NC(=O)c1cccc(OCc2cn3ccccc3n2)c1)C(=O)[O-] ZINC001573323951 962777814 /nfs/dbraw/zinc/77/78/14/962777814.db2.gz JTLYRKUUHFLBMD-GOSISDBHSA-N -1 0 379.416 3.063 20 30 GGEDRM C=C(C)C[C@@H](NC(=O)c1nc(C(C)C)n(-c2ccccc2Cl)n1)C(=O)[O-] ZINC001573324015 962779668 /nfs/dbraw/zinc/77/96/68/962779668.db2.gz LUZXJSOQNIPWKX-CYBMUJFWSA-N -1 0 376.844 3.193 20 30 GGEDRM C=C(C)C[C@H](NC(=O)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O)C(=O)[O-] ZINC001573324680 962789415 /nfs/dbraw/zinc/78/94/15/962789415.db2.gz XLOOWJNWEHEEIE-HNNXBMFYSA-N -1 0 392.814 3.278 20 30 GGEDRM C=C(C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(=O)[O-])[C@@H](C)C1 ZINC001573325476 962795573 /nfs/dbraw/zinc/79/55/73/962795573.db2.gz KCFRUBUEAADNGX-ZDUSSCGKSA-N -1 0 375.860 3.363 20 30 GGEDRM C=C(C)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C(=O)[O-])CC1 ZINC001573326191 962802243 /nfs/dbraw/zinc/80/22/43/962802243.db2.gz SZVDWOGNEXPMIJ-KRWDZBQOSA-N -1 0 399.495 3.411 20 30 GGEDRM C=C(C)Cn1c(COc2cc(C)ccc2C)nnc1N1CCC(C(=O)[O-])CC1 ZINC001573326200 962803603 /nfs/dbraw/zinc/80/36/03/962803603.db2.gz UDDIWTWOHAYALZ-UHFFFAOYSA-N -1 0 384.480 3.351 20 30 GGEDRM C=C(CCC(=O)[O-])C(=O)N1CC2(C[C@@H]1C)CCN(C(=O)OC(C)(C)C)CC2 ZINC001573331922 962819938 /nfs/dbraw/zinc/81/99/38/962819938.db2.gz DWIDSKMSLWJVPW-HNNXBMFYSA-N -1 0 380.485 3.046 20 30 GGEDRM C=C(CCC(=O)[O-])C(=O)N1CCC[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC001573331957 962820748 /nfs/dbraw/zinc/82/07/48/962820748.db2.gz FQYWPEOEYZRIDY-CQSZACIVSA-N -1 0 385.247 3.344 20 30 GGEDRM C=C(CCC(=O)[O-])C(=O)N1CCCC[C@H]1C1(CNC(=O)OC(C)(C)C)CCC1 ZINC001573332941 962846980 /nfs/dbraw/zinc/84/69/80/962846980.db2.gz UHEBFVPMMDPNAI-INIZCTEOSA-N -1 0 394.512 3.484 20 30 GGEDRM CC1(C)CCCN(S(=O)(=O)c2ccc(C(=O)[O-])c(C(F)(F)F)c2)[C@H]1C#N ZINC000277472682 962851779 /nfs/dbraw/zinc/85/17/79/962851779.db2.gz JTZAPBLOJBSGPG-ZDUSSCGKSA-N -1 0 390.383 3.106 20 30 GGEDRM C=C(CCC(=O)[O-])C(=O)N1CCCC[C@@H]1[C@H]1CCCN1C(=O)OC(C)(C)C ZINC001573333220 962852679 /nfs/dbraw/zinc/85/26/79/962852679.db2.gz YRGKVHXJESWCIA-HZPDHXFCSA-N -1 0 380.485 3.188 20 30 GGEDRM C=C(CCC(=O)[O-])C(=O)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCCO2 ZINC001573336380 962858702 /nfs/dbraw/zinc/85/87/02/962858702.db2.gz BNAVSSOFCOEWAZ-UHFFFAOYSA-N -1 0 396.399 3.070 20 30 GGEDRM COc1cc(OC)cc(Oc2cccc(CNC(=O)[C@@](C)(C#N)CC(=O)[O-])c2)c1 ZINC001574194777 962866306 /nfs/dbraw/zinc/86/63/06/962866306.db2.gz HDESYNNKKVJXKC-OAQYLSRUSA-N -1 0 398.415 3.117 20 30 GGEDRM C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2cc(C(=O)[O-])ccc21 ZINC001573338523 962877504 /nfs/dbraw/zinc/87/75/04/962877504.db2.gz DJYUOCRHJVZQEO-AWEZNQCLSA-N -1 0 394.855 3.310 20 30 GGEDRM C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC001573339588 962891519 /nfs/dbraw/zinc/89/15/19/962891519.db2.gz UDNSLKNYQJOZNT-CYBMUJFWSA-N -1 0 386.807 3.498 20 30 GGEDRM C=C(Cl)Cn1c(COc2cc(C)ccc2C)nnc1N1CC[C@H](C(=O)[O-])C1 ZINC001573343954 962911822 /nfs/dbraw/zinc/91/18/22/962911822.db2.gz MRVBVOHPRKQAFJ-HNNXBMFYSA-N -1 0 390.871 3.137 20 30 GGEDRM C=C1CCC(CNS(=O)(=O)c2ccc(C(=O)[O-])c(C(F)(F)F)c2)CC1 ZINC001573344106 962913052 /nfs/dbraw/zinc/91/30/52/962913052.db2.gz OHFOBZKUOMISFN-UHFFFAOYSA-N -1 0 377.384 3.428 20 30 GGEDRM C=C(Cl)CSc1nc(C)c(CC(=O)Nc2cccc(CC(=O)[O-])n2)s1 ZINC001573344272 962914485 /nfs/dbraw/zinc/91/44/85/962914485.db2.gz RGLCBVIQEDHABR-UHFFFAOYSA-N -1 0 397.909 3.499 20 30 GGEDRM C=C[C@H](CC)CC(=O)N[C@]1(C(=O)[O-])CCc2cc(Br)ccc2C1 ZINC001573347771 962950353 /nfs/dbraw/zinc/95/03/53/962950353.db2.gz NRKCTTYWSYQSHW-KZULUSFZSA-N -1 0 380.282 3.480 20 30 GGEDRM C=CCC(C)(C)CNC(=O)N1CCN([C@@H](C(=O)[O-])c2ccc(Cl)cc2)CC1 ZINC001573350506 962970072 /nfs/dbraw/zinc/97/00/72/962970072.db2.gz IUXKSEIVQLJFQQ-QGZVFWFLSA-N -1 0 393.915 3.395 20 30 GGEDRM C=CC1(CC(=O)Nc2cc(C)c(C(=O)[O-])c(C)n2)CN(C(=O)OC(C)(C)C)C1 ZINC001573351530 962980373 /nfs/dbraw/zinc/98/03/73/962980373.db2.gz VNDCFVGHRNYJAW-UHFFFAOYSA-N -1 0 389.452 3.148 20 30 GGEDRM C=CC[C@H]1N(S(=O)(=O)c2ccc(OC)cc2CC(=O)[O-])CCCC1(C)C ZINC001573352442 962986967 /nfs/dbraw/zinc/98/69/67/962986967.db2.gz BXDAXZDGXKCOJK-QGZVFWFLSA-N -1 0 381.494 3.078 20 30 GGEDRM C=CCCC[C@@H](NC(=O)[C@H](NC(=O)c1ccccc1)c1ccccc1)C(=O)[O-] ZINC001573356737 963010590 /nfs/dbraw/zinc/01/05/90/963010590.db2.gz GIJOPRRHDRQROH-RTBURBONSA-N -1 0 380.444 3.083 20 30 GGEDRM C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C(=O)[O-])c1cccs1 ZINC001573357253 963014516 /nfs/dbraw/zinc/01/45/16/963014516.db2.gz KOAXFOFDJROMIB-TZMCWYRMSA-N -1 0 382.482 3.240 20 30 GGEDRM C=CCCC[C@H](NC(=O)[C@@H]1CCCC[C@@]1(C)NC(=O)OC(C)(C)C)C(=O)[O-] ZINC001573357641 963018588 /nfs/dbraw/zinc/01/85/88/963018588.db2.gz PZSVMINSLGYZNY-AUSJPIAWSA-N -1 0 382.501 3.386 20 30 GGEDRM C=CCCC[C@H](NC(=O)[C@H]1CCCC[C@@]1(C)NC(=O)OC(C)(C)C)C(=O)[O-] ZINC001573357643 963019210 /nfs/dbraw/zinc/01/92/10/963019210.db2.gz PZSVMINSLGYZNY-QEEYODRMSA-N -1 0 382.501 3.386 20 30 GGEDRM C=CCCC[C@H](NC(=O)[C@@H]1CCCC[C@]1(C)NC(=O)OC(C)(C)C)C(=O)[O-] ZINC001573357642 963019251 /nfs/dbraw/zinc/01/92/51/963019251.db2.gz PZSVMINSLGYZNY-AVYPCKFXSA-N -1 0 382.501 3.386 20 30 GGEDRM C=CCCC[C@@H](NC(=O)CCc1cnc(NC(=O)OC(C)(C)C)s1)C(=O)[O-] ZINC001573358071 963024073 /nfs/dbraw/zinc/02/40/73/963024073.db2.gz WPVRTHRSJJBRSP-CYBMUJFWSA-N -1 0 397.497 3.348 20 30 GGEDRM C=CCCC[C@@H](NC(=O)[C@@H]1C[C@H]1C1CCN(C(=O)OC(C)(C)C)CC1)C(=O)[O-] ZINC001573358041 963024902 /nfs/dbraw/zinc/02/49/02/963024902.db2.gz WFZYBKKNULDDBQ-GVDBMIGSSA-N -1 0 394.512 3.195 20 30 GGEDRM C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC001573358451 963026962 /nfs/dbraw/zinc/02/69/62/963026962.db2.gz ZLNIMOHJEMZNOC-INIZCTEOSA-N -1 0 392.452 3.338 20 30 GGEDRM C=CCCc1ccc(S(=O)(=O)N2CCOc3ccccc3[C@@H]2C(=O)[O-])cc1 ZINC001573360239 963034193 /nfs/dbraw/zinc/03/41/93/963034193.db2.gz KOASBBUJYNMIMT-LJQANCHMSA-N -1 0 387.457 3.014 20 30 GGEDRM C=CCCN(OCc1ccccc1)S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F ZINC001573360598 963039906 /nfs/dbraw/zinc/03/99/06/963039906.db2.gz SQSJGKIZCQKVBI-UHFFFAOYSA-N -1 0 397.399 3.362 20 30 GGEDRM C=CCN(C(=O)c1c(C)coc1CC(=O)[O-])[C@@H](Cc1ccccc1)C(=O)OCC ZINC001573360840 963044486 /nfs/dbraw/zinc/04/44/86/963044486.db2.gz ZAWSDVPLXDSOCH-KRWDZBQOSA-N -1 0 399.443 3.018 20 30 GGEDRM C=CCCC[C@@H](NC(=O)c1nccnc1-c1nc2ccccc2s1)C(=O)[O-] ZINC001573366606 963060457 /nfs/dbraw/zinc/06/04/57/963060457.db2.gz NPLHQWBHXCATDH-CYBMUJFWSA-N -1 0 382.445 3.293 20 30 GGEDRM C=CCCCN(CC)S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Br ZINC001573366653 963061029 /nfs/dbraw/zinc/06/10/29/963061029.db2.gz NXEARFGLEWXTKC-UHFFFAOYSA-N -1 0 394.262 3.263 20 30 GGEDRM C=CCN(Cc1ccc(OC)cc1)C(=O)NCCc1ccc(C(=O)[O-])cc1OC ZINC001573367908 963071185 /nfs/dbraw/zinc/07/11/85/963071185.db2.gz DOHOLUWHYMZYIB-UHFFFAOYSA-N -1 0 398.459 3.342 20 30 GGEDRM C=CCO[C@H]1CCN(c2nnc(C3CCC3)n2Cc2cccc(NC(=O)[O-])c2)C1 ZINC001573368428 963079825 /nfs/dbraw/zinc/07/98/25/963079825.db2.gz DTXHTTPWJMSRAO-SFHVURJKSA-N -1 0 397.479 3.465 20 30 GGEDRM C=CCN(Cc1ccccc1F)C(=O)[C@@H](CCC(=O)[O-])NC(=O)OC(C)(C)C ZINC001573368696 963084768 /nfs/dbraw/zinc/08/47/68/963084768.db2.gz PIDKTFSMVMLVHL-MRXNPFEDSA-N -1 0 394.443 3.098 20 30 GGEDRM CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)Nc3cccc(C(=O)[O-])c3)C2)C1 ZINC001573433982 964056189 /nfs/dbraw/zinc/05/61/89/964056189.db2.gz GVQZNXVSYBYBCH-DBWCEAHUSA-N -1 0 399.447 3.110 20 30 GGEDRM C#CCCCCn1c(COc2cccc(C)c2)nnc1N1CCC(C(=O)[O-])CC1 ZINC001588446451 964073371 /nfs/dbraw/zinc/07/33/71/964073371.db2.gz MHHXYWAUFDTUIV-UHFFFAOYSA-N -1 0 396.491 3.270 20 30 GGEDRM C#CCCCCn1c(-c2cccc3cccnc32)nnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001588446591 964076164 /nfs/dbraw/zinc/07/61/64/964076164.db2.gz RUVVNKDJCNFCRT-QGZVFWFLSA-N -1 0 389.459 3.208 20 30 GGEDRM C#CCCCCn1c(-c2c[nH]c3ccccc32)nnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001588446576 964076177 /nfs/dbraw/zinc/07/61/77/964076177.db2.gz PVVVBTWNSGTLQG-OAHLLOKOSA-N -1 0 377.448 3.141 20 30 GGEDRM C#CCCCCn1c(-c2cc3ccccc3o2)nnc1N1CC[C@H](C(=O)[O-])C1 ZINC001588446738 964077316 /nfs/dbraw/zinc/07/73/16/964077316.db2.gz XXYZHNOHMQJTMF-INIZCTEOSA-N -1 0 378.432 3.406 20 30 GGEDRM C#CCCN(CCOC)C(=O)Nc1cc(C(=O)[O-])ccc1OCc1ccccc1 ZINC001588447013 964081346 /nfs/dbraw/zinc/08/13/46/964081346.db2.gz CGZVJOCAILYFPT-UHFFFAOYSA-N -1 0 396.443 3.467 20 30 GGEDRM C#CCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001588447311 964085604 /nfs/dbraw/zinc/08/56/04/964085604.db2.gz GDVUJKRLRKFIPF-GFCCVEGCSA-N -1 0 376.819 3.062 20 30 GGEDRM C#CCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@@H](C(=O)[O-])C1 ZINC001588448142 964094376 /nfs/dbraw/zinc/09/43/76/964094376.db2.gz XFZCLZCIDINPFY-MRXNPFEDSA-N -1 0 386.883 3.237 20 30 GGEDRM Cc1cccc([C@H](NC(=O)Nc2cnn(Cc3ccc(C#N)cc3)c2)C(=O)[O-])c1 ZINC001594393688 970219278 /nfs/dbraw/zinc/21/92/78/970219278.db2.gz OURBHGDOQYOWDJ-IBGZPJMESA-N -1 0 389.415 3.059 20 30 GGEDRM N#Cc1ccc(OC2CCN(C(=O)Nc3ccccc3C(=O)[O-])CC2)c(F)c1 ZINC001608208772 970402448 /nfs/dbraw/zinc/40/24/48/970402448.db2.gz AKGRCVNJZYAIOL-UHFFFAOYSA-N -1 0 383.379 3.471 20 30 GGEDRM Cc1c(C)n(-c2ccccc2)c(NC(=O)[C@H]2CO[C@@H](CCC(=O)[O-])C2)c1C#N ZINC001605074684 972702634 /nfs/dbraw/zinc/70/26/34/972702634.db2.gz XWXSWHMONVJVPM-WBVHZDCISA-N -1 0 381.432 3.174 20 30 GGEDRM C[C@@H]1C[C@@H](c2ccc(Br)cc2)CN1C(=O)[C@@](C)(C#N)CC(=O)[O-] ZINC001603380121 972944227 /nfs/dbraw/zinc/94/42/27/972944227.db2.gz JSMHYAQBGOWNDM-CJBNDPTMSA-N -1 0 379.254 3.158 20 30 GGEDRM Cc1cc(NC(=O)Nc2ccc(Br)c(C#N)n2)ccc1C(=O)[O-] ZINC001605207143 972947996 /nfs/dbraw/zinc/94/79/96/972947996.db2.gz IESAPTVEXHPWQE-UHFFFAOYSA-N -1 0 375.182 3.366 20 30 GGEDRM Cc1cc(Oc2ccccc2C#N)ncc1NC(=O)[C@H]1CO[C@@H](CCC(=O)[O-])C1 ZINC001605219595 972967036 /nfs/dbraw/zinc/96/70/36/972967036.db2.gz 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GGEDRM Cc1nc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])sc1Cc1c(F)cccc1F ZINC001605409006 973412179 /nfs/dbraw/zinc/41/21/79/973412179.db2.gz ZCBQLTHOLBXSPL-QGZVFWFLSA-N -1 0 379.388 3.264 20 30 GGEDRM CC[C@@H](C#N)Oc1cc(CNC(=O)c2cc(C)cc(C(=O)[O-])c2)ccc1OC ZINC001603488275 973418130 /nfs/dbraw/zinc/41/81/30/973418130.db2.gz JDTRKRQLOWXSSB-KRWDZBQOSA-N -1 0 382.416 3.313 20 30 GGEDRM Cc1oc(C#N)cc1C(=O)N1CC[C@H](C(=O)[O-])c2cc(Br)ccc21 ZINC001605454543 973536186 /nfs/dbraw/zinc/53/61/86/973536186.db2.gz APVHKDZFOSGMGR-LBPRGKRZSA-N -1 0 389.205 3.441 20 30 GGEDRM Cn1cc(-c2csc(NC(=O)/C=C/c3ccccc3C#N)c2C(=O)[O-])cn1 ZINC001605477145 973592663 /nfs/dbraw/zinc/59/26/63/973592663.db2.gz OOEKYTYSMKZNMV-VOTSOKGWSA-N -1 0 378.413 3.370 20 30 GGEDRM Cn1cc(-c2csc(NC(=O)CSc3ccc(C#N)cc3)c2C(=O)[O-])cn1 ZINC001605477169 973593778 /nfs/dbraw/zinc/59/37/78/973593778.db2.gz QDLDNYNYUJBENP-UHFFFAOYSA-N -1 0 398.469 3.449 20 30 GGEDRM CC[C@@]1(C(=O)[O-])CCCN(C(=O)CSc2nc(C)c(C)c(C)c2C#N)C1 ZINC001603600483 973839899 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ZINC000431512757 974066795 /nfs/dbraw/zinc/06/67/95/974066795.db2.gz HQIHYNRPHJTTIY-LJQANCHMSA-N -1 0 390.439 3.473 20 30 GGEDRM COc1ccc(Oc2ccc(CCNC(=O)[C@](C)(C#N)CC(=O)[O-])cc2)cc1 ZINC001604827906 974070398 /nfs/dbraw/zinc/07/03/98/974070398.db2.gz ZPFGETYRIBVRRH-NRFANRHFSA-N -1 0 382.416 3.151 20 30 GGEDRM COc1ccc2c(c1)nc(NC(=O)[C@](C)(C#N)CC(=O)[O-])n2Cc1ccccc1 ZINC001604843639 974086107 /nfs/dbraw/zinc/08/61/07/974086107.db2.gz LJJGPISOMGHMAK-NRFANRHFSA-N -1 0 392.415 3.036 20 30 GGEDRM Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(OC(C)C)c(C#N)c1 ZINC000435142438 974097623 /nfs/dbraw/zinc/09/76/23/974097623.db2.gz HPKLAOONPQBNAC-UHFFFAOYSA-N -1 0 392.408 3.292 20 30 GGEDRM CC(C)CN(c1ccc(C#N)cc1)S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000438783781 974102246 /nfs/dbraw/zinc/10/22/46/974102246.db2.gz FOQSROHAFFREHW-UHFFFAOYSA-N -1 0 376.409 3.247 20 30 GGEDRM CCN(C(=O)C1=NN(c2ccccc2)[C@H](C(=O)[O-])C1)[C@@H](C)c1ccc(C#N)cc1 ZINC001603706289 974116213 /nfs/dbraw/zinc/11/62/13/974116213.db2.gz 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GGEDRM C[C@@](CC(=O)[O-])(NC(=O)C#Cc1ccccc1)c1ccc(Br)cc1 ZINC001592277482 977554344 /nfs/dbraw/zinc/55/43/44/977554344.db2.gz CFEWUXIVKUDYFZ-IBGZPJMESA-N -1 0 386.245 3.307 20 30 GGEDRM C[C@](CC(=O)[O-])(NC(=O)CCCCOc1cccc(C#N)c1)c1ccncc1 ZINC001592280871 977572929 /nfs/dbraw/zinc/57/29/29/977572929.db2.gz NBOONUCIQLLVAY-OAQYLSRUSA-N -1 0 381.432 3.009 20 30 GGEDRM C[C@](CC(=O)[O-])(NC(=O)Nc1cc(C#N)ccc1OC(F)F)c1ccncc1 ZINC001592290385 977612545 /nfs/dbraw/zinc/61/25/45/977612545.db2.gz OZBHXACASWMXFY-GOSISDBHSA-N -1 0 390.346 3.066 20 30 GGEDRM C[C@@](CC(=O)[O-])(NC(=O)Nc1ccc(F)cc1OCC#N)c1cccc(F)c1 ZINC001592297386 977635751 /nfs/dbraw/zinc/63/57/51/977635751.db2.gz KSFYYGPFCKHVGW-IBGZPJMESA-N -1 0 389.358 3.379 20 30 GGEDRM C[C@@](CC(=O)[O-])(NC(=O)c1cccc(C#N)c1)c1ccc(Br)cc1 ZINC001592308652 977675900 /nfs/dbraw/zinc/67/59/00/977675900.db2.gz JVRRLGLKGBKNPM-SFHVURJKSA-N -1 0 387.233 3.441 20 30 GGEDRM C[C@](CC(=O)[O-])(NC(=O)c1cccc(C#N)c1)c1ccc(Br)cc1 ZINC001592308651 977675934 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377.755 3.487 20 30 GGEDRM C[C@@H](Oc1ccccc1C#N)C(=O)O[C@H](C(=O)[O-])c1c(F)cccc1Cl ZINC000833539819 979200460 /nfs/dbraw/zinc/20/04/60/979200460.db2.gz IAUXZGGKVLNWOM-HWPZZCPQSA-N -1 0 377.755 3.487 20 30 GGEDRM C[C@@H]1CCc2c(sc(NC(=O)CN3CCC[C@@](C)(C#N)C3)c2C(=O)[O-])C1 ZINC000833616505 979209121 /nfs/dbraw/zinc/20/91/21/979209121.db2.gz BPIPKBPNUIJWKW-BLVKFPJESA-N -1 0 375.494 3.135 20 30 GGEDRM C[C@@H]1CCc2c(sc(NC(=O)CN3CCC[C@](C)(C#N)C3)c2C(=O)[O-])C1 ZINC000833616507 979209330 /nfs/dbraw/zinc/20/93/30/979209330.db2.gz BPIPKBPNUIJWKW-CWTRNNRKSA-N -1 0 375.494 3.135 20 30 GGEDRM C[C@H]1CCc2c(sc(NC(=O)CN3CCC[C@@](C)(C#N)C3)c2C(=O)[O-])C1 ZINC000833616506 979209385 /nfs/dbraw/zinc/20/93/85/979209385.db2.gz BPIPKBPNUIJWKW-BUXKBTBVSA-N -1 0 375.494 3.135 20 30 GGEDRM CC[C@H](C#N)NC(=O)c1ccccc1SCC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000833636372 979212496 /nfs/dbraw/zinc/21/24/96/979212496.db2.gz PLPFHLFSPXLGHP-CQSZACIVSA-N -1 0 397.456 3.148 20 30 GGEDRM 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GGEDRM C[C@H](Cc1ccc(NC(=O)C(=O)Nc2cc(C#N)ccc2Cl)cc1)C(=O)[O-] ZINC001592859035 979679474 /nfs/dbraw/zinc/67/94/74/979679474.db2.gz XTLQEYQFSJRUCQ-LLVKDONJSA-N -1 0 385.807 3.052 20 30 GGEDRM C[C@@H](Cc1ccc(NC(=O)C(=O)Nc2cc(C#N)ccc2Cl)cc1)C(=O)[O-] ZINC001592859036 979679504 /nfs/dbraw/zinc/67/95/04/979679504.db2.gz XTLQEYQFSJRUCQ-NSHDSACASA-N -1 0 385.807 3.052 20 30 GGEDRM CCO[C@@H](C(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1)[C@H]1CCOC1 ZINC000864121065 979717202 /nfs/dbraw/zinc/71/72/02/979717202.db2.gz GWSDBGDRKHBUJR-PZJWPPBQSA-N -1 0 393.439 3.165 20 30 GGEDRM CCO[C@@H](C(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1)[C@@H]1CCOC1 ZINC000864121066 979717212 /nfs/dbraw/zinc/71/72/12/979717212.db2.gz GWSDBGDRKHBUJR-TZIWHRDSSA-N -1 0 393.439 3.165 20 30 GGEDRM O=C([O-])[C@@H](CC(F)F)NC(=O)c1ccc(OC(F)(F)F)cc1C(F)(F)F ZINC000864146378 979751058 /nfs/dbraw/zinc/75/10/58/979751058.db2.gz UKZFXDSWTYFELG-MRVPVSSYSA-N -1 0 395.202 3.442 20 30 GGEDRM O=C([O-])[C@H](CC(F)F)NC(=O)c1ccc(OC(F)(F)F)cc1C(F)(F)F ZINC000864146379 979751183 /nfs/dbraw/zinc/75/11/83/979751183.db2.gz UKZFXDSWTYFELG-QMMMGPOBSA-N -1 0 395.202 3.442 20 30 GGEDRM C[C@H](Cc1ccccc1C(F)(F)F)NC(=O)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001592889884 979774604 /nfs/dbraw/zinc/77/46/04/979774604.db2.gz BWSJTHPTPLXGED-GFCCVEGCSA-N -1 0 383.370 3.036 20 30 GGEDRM C=C(C)C[C@H](NC(=O)C[C@@H](NC(=O)OC(C)(C)C)c1ccccc1)C(=O)[O-] ZINC000864187113 979832737 /nfs/dbraw/zinc/83/27/37/979832737.db2.gz DPAQMDYJJFRJQK-CVEARBPZSA-N -1 0 376.453 3.178 20 30 GGEDRM C[C@H](Cc1cnc2ccccc2n1)C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC001592907992 979860914 /nfs/dbraw/zinc/86/09/14/979860914.db2.gz VRRPEMLCVANICP-BFUOFWGJSA-N -1 0 375.384 3.049 20 30 GGEDRM C[C@@H](Cn1cccn1)NC(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC001592926764 979951090 /nfs/dbraw/zinc/95/10/90/979951090.db2.gz YRFCASALQHDXRR-INIZCTEOSA-N -1 0 388.427 3.191 20 30 GGEDRM C[C@H](Cn1cccn1)NC(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC001592926765 979951338 /nfs/dbraw/zinc/95/13/38/979951338.db2.gz YRFCASALQHDXRR-MRXNPFEDSA-N -1 0 388.427 3.191 20 30 GGEDRM C[C@@H](NC(=O)C(C)(C)c1cc(F)cc(C#N)c1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001592989359 980173239 /nfs/dbraw/zinc/17/32/39/980173239.db2.gz FQYGRZAMPRKDGI-AUUYWEPGSA-N -1 0 382.435 3.423 20 30 GGEDRM C[C@H](NC(=O)C(C)(C)Oc1ccc(C#N)cc1)c1ccc(OCC(=O)[O-])cc1 ZINC001592990203 980176928 /nfs/dbraw/zinc/17/69/28/980176928.db2.gz NJFNZHJIQVHRML-AWEZNQCLSA-N -1 0 382.416 3.056 20 30 GGEDRM CC[C@H](NC(=O)N1CCC(C#N)(C(=O)[O-])CC1)c1nc(C(F)(F)F)cs1 ZINC001595247770 980193937 /nfs/dbraw/zinc/19/39/37/980193937.db2.gz SFUDOMPISOKBIP-VIFPVBQESA-N -1 0 390.387 3.013 20 30 GGEDRM C[C@H](NC(=O)C1(c2cc(F)cc(C#N)c2)CC1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001592997484 980204770 /nfs/dbraw/zinc/20/47/70/980204770.db2.gz ACOQIBPRKRRUEQ-IFXJQAMLSA-N -1 0 380.419 3.177 20 30 GGEDRM C[C@](NC(=O)COc1ccc(C#N)cc1)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001593036339 980313555 /nfs/dbraw/zinc/31/35/55/980313555.db2.gz MDLHNHLAVRKPHR-GOSISDBHSA-N -1 0 393.226 3.360 20 30 GGEDRM C[C@@H](NC(=O)N1CCC(Cc2ncc(C(=O)[O-])s2)CC1)c1ccc(C#N)cc1 ZINC001593056149 980368908 /nfs/dbraw/zinc/36/89/08/980368908.db2.gz VCRZVOYANUEQTO-CYBMUJFWSA-N -1 0 398.488 3.438 20 30 GGEDRM CC[C@@](NS(=O)(=O)c1ccc(C(C)(C)C#N)cc1)(C(=O)[O-])c1ccccc1 ZINC001595313420 980477999 /nfs/dbraw/zinc/47/79/99/980477999.db2.gz RJIQNEIQKMQDIO-FQEVSTJZSA-N -1 0 386.473 3.156 20 30 GGEDRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)c1ccn(-c2cccc(C#N)c2)n1 ZINC001595361316 980761461 /nfs/dbraw/zinc/76/14/61/980761461.db2.gz VPIQLHPWRJWOJD-HXUWFJFHSA-N -1 0 388.427 3.422 20 30 GGEDRM CC[C@]1(C)NC(=O)N(N=Cc2ccccc2OCc2ccc(C(=O)[O-])cc2)C1=O ZINC001595371590 980853293 /nfs/dbraw/zinc/85/32/93/980853293.db2.gz IMJUAAXWCPSOTG-NRFANRHFSA-N -1 0 395.415 3.018 20 30 GGEDRM CC[C@]1(Cc2ccccc2)CCCN1S(=O)(=O)c1ccc(C#N)cc1C(=O)[O-] ZINC001595384472 980931922 /nfs/dbraw/zinc/93/19/22/980931922.db2.gz SYYJYFSWXRSDBO-OAQYLSRUSA-N -1 0 398.484 3.432 20 30 GGEDRM CC[C@@]1(c2ccc(C)cc2)CC(=O)N(Cc2cccc(C(=O)[O-])c2C#N)C1=O ZINC001595397691 980967046 /nfs/dbraw/zinc/96/70/46/980967046.db2.gz UQEMOLOYDZBFCN-QFIPXVFZSA-N -1 0 376.412 3.172 20 30 GGEDRM CCC1CCC(NS(=O)(=O)c2ccc(C(C)(C)C#N)cc2)(C(=O)[O-])CC1 ZINC001595431079 981051421 /nfs/dbraw/zinc/05/14/21/981051421.db2.gz IOVZNRAHTDGABY-UHFFFAOYSA-N -1 0 378.494 3.190 20 30 GGEDRM N#CC1(C(=O)NC[C@H](Cc2cccc3ccccc32)C(=O)[O-])CCSCC1 ZINC000907596306 981198516 /nfs/dbraw/zinc/19/85/16/981198516.db2.gz JZFQSQJYRPYQEV-KRWDZBQOSA-N -1 0 382.485 3.236 20 30 GGEDRM N#CC1(C(=O)N2C[C@@H](c3ccc(Cl)cc3)[C@H](C(=O)[O-])C2)CCSCC1 ZINC000907643993 981204152 /nfs/dbraw/zinc/20/41/52/981204152.db2.gz MXRFSGBAWWNKBF-LSDHHAIUSA-N -1 0 378.881 3.004 20 30 GGEDRM C[C@H](C(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1)N1CCSCC1 ZINC000909108234 981418304 /nfs/dbraw/zinc/41/83/04/981418304.db2.gz SGGFWUYLLLQAEP-MRXNPFEDSA-N -1 0 394.496 3.160 20 30 GGEDRM CCC[C@H](CCc1ccccc1)NS(=O)(=O)c1ccc(C#N)cc1C(=O)[O-] ZINC001595591954 981548950 /nfs/dbraw/zinc/54/89/50/981548950.db2.gz RAXCDTKNUDJXOG-QGZVFWFLSA-N -1 0 386.473 3.336 20 30 GGEDRM C#CC[C@@H](NC(=O)[C@H](C)SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)[O-] ZINC000910053068 981745668 /nfs/dbraw/zinc/74/56/68/981745668.db2.gz NTWAXEVKDGXOJC-SMDDNHRTSA-N -1 0 392.864 3.209 20 30 GGEDRM CC[C@](C)(C(=O)[O-])N(CC1CC1)S(=O)(=O)c1ccc(CC#N)cc1Cl ZINC001594786671 981814907 /nfs/dbraw/zinc/81/49/07/981814907.db2.gz YKFXYEJEOFHMCG-QGZVFWFLSA-N -1 0 384.885 3.060 20 30 GGEDRM CCC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C(=O)[O-])C1 ZINC001594801194 981895764 /nfs/dbraw/zinc/89/57/64/981895764.db2.gz HADXSTKVTPDCAZ-INIZCTEOSA-N -1 0 397.479 3.076 20 30 GGEDRM CCCCCCCCCN1C(C(=O)[O-])=NC2=NS(=O)(=O)c3ccccc3N21 ZINC001595704843 982280685 /nfs/dbraw/zinc/28/06/85/982280685.db2.gz IVSNOFQWUPMFAD-UHFFFAOYSA-N -1 0 392.481 3.016 20 30 GGEDRM CCCCCCCC[C@@H](C)C(=O)N1CCN(c2ccc(C(=O)[O-])nn2)CC1 ZINC001595705038 982281646 /nfs/dbraw/zinc/28/16/46/982281646.db2.gz OEIYCQRXFNHQSO-MRXNPFEDSA-N -1 0 376.501 3.210 20 30 GGEDRM C#C[C@H](NC(=O)c1ccccc1SCc1occc1C(=O)[O-])[C@@H]1CCCO1 ZINC000911577636 982513716 /nfs/dbraw/zinc/51/37/16/982513716.db2.gz DMXWJHNHWHUSSU-HOTGVXAUSA-N -1 0 385.441 3.181 20 30 GGEDRM CCCN(C(=O)c1cc(C(=O)[O-])nn1-c1ccccc1)c1snc(C)c1C#N ZINC001595824742 982707180 /nfs/dbraw/zinc/70/71/80/982707180.db2.gz UDWWIWPVOZDDAF-UHFFFAOYSA-N -1 0 395.444 3.264 20 30 GGEDRM CCCN(Cc1ccc(C#N)cc1)S(=O)(=O)c1cc(C(=O)[O-])oc1CC ZINC001595885782 982909528 /nfs/dbraw/zinc/90/95/28/982909528.db2.gz FXDUVBKYJPJUBZ-UHFFFAOYSA-N -1 0 376.434 3.013 20 30 GGEDRM CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1sc(C)cc1C(=O)[O-] ZINC001595885965 982912235 /nfs/dbraw/zinc/91/22/35/982912235.db2.gz PXEKPNLLGCWLIU-UHFFFAOYSA-N -1 0 385.445 3.004 20 30 GGEDRM CCCNc1ccc(C#N)cc1N[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC001595936659 983078202 /nfs/dbraw/zinc/07/82/02/983078202.db2.gz KJGYNXHHVAWDSZ-OAHLLOKOSA-N -1 0 384.461 3.357 20 30 GGEDRM C#C[C@H](CC)NC(=O)c1ccccc1SCC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001588369877 983318046 /nfs/dbraw/zinc/31/80/46/983318046.db2.gz ZIHHNUFRXMDTGL-OAHLLOKOSA-N -1 0 396.468 3.257 20 30 GGEDRM C#C[C@H](NC(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1)c1ccc(Cl)cc1F ZINC001588372131 983327851 /nfs/dbraw/zinc/32/78/51/983327851.db2.gz DONXNECRESWAHK-RNRVQEDPSA-N -1 0 378.831 3.440 20 30 GGEDRM C#C[C@H](NC(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1)c1ccc(Br)cc1 ZINC001588372134 983327970 /nfs/dbraw/zinc/32/79/70/983327970.db2.gz DPYHUBQJPVHOOG-GJZGRUSLSA-N -1 0 391.265 3.020 20 30 GGEDRM C#C[C@@H](NC(=O)N1CC[C@@](C(=O)[O-])(c2ccccc2)C1)c1ccc(Cl)cc1 ZINC001588372850 983334316 /nfs/dbraw/zinc/33/43/16/983334316.db2.gz UVKLQWVOOBKDPZ-NQIIRXRSSA-N -1 0 382.847 3.452 20 30 GGEDRM C#C[C@H](NC(=O)NCc1ccc(C(=O)[O-])cc1F)c1ccc(Cl)cc1F ZINC001588373129 983336858 /nfs/dbraw/zinc/33/68/58/983336858.db2.gz AGZZBPNRTLIOMZ-INIZCTEOSA-N -1 0 378.762 3.490 20 30 GGEDRM C#C[C@@H](NC(=O)Nc1cccc(OCC(=O)[O-])c1)c1ccc(Cl)cc1F ZINC001588373511 983338781 /nfs/dbraw/zinc/33/87/81/983338781.db2.gz GGHYNDIZCPTQAD-MRXNPFEDSA-N -1 0 376.771 3.439 20 30 GGEDRM C#C[C@H](NC(=O)Nc1ccc(Cl)cc1SCCC(=O)[O-])C1CCOCC1 ZINC001588374128 983341725 /nfs/dbraw/zinc/34/17/25/983341725.db2.gz OZFMMNQJJCYWEV-AWEZNQCLSA-N -1 0 396.896 3.457 20 30 GGEDRM C#C[C@H](NC(=O)c1c(C)coc1CC(=O)[O-])c1ccc(Br)cc1 ZINC001588374233 983341994 /nfs/dbraw/zinc/34/19/94/983341994.db2.gz RRLQSIKGGCXBSY-ZDUSSCGKSA-N -1 0 376.206 3.082 20 30 GGEDRM C#C[C@@H](NC(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-])c1ccc(Br)cc1 ZINC001588374291 983342716 /nfs/dbraw/zinc/34/27/16/983342716.db2.gz TVDNFMIMWPDLCU-NWANDNLSSA-N -1 0 379.254 3.066 20 30 GGEDRM C#C[C@H](NC(=O)Nc1cc(Br)cc(C(=O)[O-])c1C)C1CCOCC1 ZINC001588374453 983344756 /nfs/dbraw/zinc/34/47/56/983344756.db2.gz XNZZBWFNLDSFHH-AWEZNQCLSA-N -1 0 395.253 3.006 20 30 GGEDRM CCCc1c(NC(=O)NC[C@@H](CC2CC2)C(=O)[O-])cnn1-c1cccc(C#N)c1 ZINC001596050005 983347888 /nfs/dbraw/zinc/34/78/88/983347888.db2.gz CRXIFUABOMCMHE-MRXNPFEDSA-N -1 0 395.463 3.319 20 30 GGEDRM CCCc1c(NC(=O)c2cc(C(=O)[O-])ccn2)cnn1-c1cccc(C#N)c1 ZINC001596050810 983350038 /nfs/dbraw/zinc/35/00/38/983350038.db2.gz NWKNBBROQQAZJP-UHFFFAOYSA-N -1 0 375.388 3.042 20 30 GGEDRM CCCc1c(NC(=O)c2cccc(C(=O)[O-])n2)cnn1-c1cccc(C#N)c1 ZINC001596050828 983350082 /nfs/dbraw/zinc/35/00/82/983350082.db2.gz OMJJWCYCNDPSKT-UHFFFAOYSA-N -1 0 375.388 3.042 20 30 GGEDRM CCCc1c(NC(=O)Nc2ccc(C(=O)[O-])cn2)cnn1-c1cccc(C#N)c1 ZINC001596050845 983350467 /nfs/dbraw/zinc/35/04/67/983350467.db2.gz PAORPQFLMCBWIY-UHFFFAOYSA-N -1 0 390.403 3.434 20 30 GGEDRM C#C[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])c(C)cc1F)c1ccc(Cl)cc1 ZINC001588376444 983352165 /nfs/dbraw/zinc/35/21/65/983352165.db2.gz DPHXSXCSXWCCOK-OAHLLOKOSA-N -1 0 381.812 3.139 20 30 GGEDRM C#C[C@H](N[C@H](C(=O)OC)c1cccc(C(=O)[O-])c1)c1ccc(Cl)cc1F ZINC001588377642 983358091 /nfs/dbraw/zinc/35/80/91/983358091.db2.gz OOTJUYFAXYYWHC-IRXDYDNUSA-N -1 0 375.783 3.356 20 30 GGEDRM C#C[C@@H](N[C@H](C(=O)OC)c1cccc(C(=O)[O-])c1)c1ccc(Cl)cc1F ZINC001588377643 983358173 /nfs/dbraw/zinc/35/81/73/983358173.db2.gz OOTJUYFAXYYWHC-SJORKVTESA-N -1 0 375.783 3.356 20 30 GGEDRM C#C[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])cc(C)c1F)c1ccc(Cl)cc1F ZINC001588377893 983359461 /nfs/dbraw/zinc/35/94/61/983359461.db2.gz RMJSHRCFKJCSBA-CQSZACIVSA-N -1 0 399.802 3.278 20 30 GGEDRM C#CC1(NC(=O)c2ccc(-n3nc(C)c(CCC(=O)[O-])c3C)cc2)CCCC1 ZINC001588379502 983364105 /nfs/dbraw/zinc/36/41/05/983364105.db2.gz JJWIUSDDVNYLEC-UHFFFAOYSA-N -1 0 379.460 3.182 20 30 GGEDRM CCCc1ccc([C@@H](C)N(CC(N)=O)Cc2cccc(C(=O)[O-])c2C#N)cc1 ZINC001596062191 983370690 /nfs/dbraw/zinc/37/06/90/983370690.db2.gz AYGVBTQJXVGYRN-OAHLLOKOSA-N -1 0 379.460 3.257 20 30 GGEDRM C#CC[C@@H](CCOC)NC(=O)Nc1cc(C(=O)[O-])c(Br)cc1C ZINC001588393836 983400270 /nfs/dbraw/zinc/40/02/70/983400270.db2.gz KSCFPVMKYIPLKR-NSHDSACASA-N -1 0 383.242 3.006 20 30 GGEDRM C#CC[C@@H](Cc1ccccc1)NC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C ZINC001588394902 983404393 /nfs/dbraw/zinc/40/43/93/983404393.db2.gz OGIUZQOLIOQWJT-INIZCTEOSA-N -1 0 381.388 3.358 20 30 GGEDRM C#CC[C@H](NC(=O)[C@@H](Sc1cc(F)ccc1F)c1ccccc1)C(=O)[O-] ZINC001588398330 983412420 /nfs/dbraw/zinc/41/24/20/983412420.db2.gz HXYSDBUVVFCYAW-RDJZCZTQSA-N -1 0 375.396 3.391 20 30 GGEDRM C#CC[C@H](NC(=O)[C@H](Sc1cc(F)ccc1F)c1ccccc1)C(=O)[O-] ZINC001588398328 983412443 /nfs/dbraw/zinc/41/24/43/983412443.db2.gz HXYSDBUVVFCYAW-DOTOQJQBSA-N -1 0 375.396 3.391 20 30 GGEDRM C#CC[C@@H](NC(=O)[C@H](Sc1cc(F)ccc1F)c1ccccc1)C(=O)[O-] ZINC001588398329 983412457 /nfs/dbraw/zinc/41/24/57/983412457.db2.gz HXYSDBUVVFCYAW-NVXWUHKLSA-N -1 0 375.396 3.391 20 30 GGEDRM C#CC[C@@H](NC(=O)C1(c2ccc(Br)cc2)CCCCC1)C(=O)[O-] ZINC001588398385 983412500 /nfs/dbraw/zinc/41/25/00/983412500.db2.gz ISNVZUUBOQOSDR-OAHLLOKOSA-N -1 0 378.266 3.244 20 30 GGEDRM C#CC[C@@H](NC(=O)[C@@H](Sc1cc(F)ccc1F)c1ccccc1)C(=O)[O-] ZINC001588398331 983412556 /nfs/dbraw/zinc/41/25/56/983412556.db2.gz HXYSDBUVVFCYAW-WBVHZDCISA-N -1 0 375.396 3.391 20 30 GGEDRM C#CC[C@H](NC(=O)[C@H](Oc1ccc(F)c(Cl)c1)c1ccccc1)C(=O)[O-] ZINC001588399093 983414793 /nfs/dbraw/zinc/41/47/93/983414793.db2.gz QHOCHJPNJORDRB-DLBZAZTESA-N -1 0 375.783 3.192 20 30 GGEDRM C#CC[C@H](NC(=O)CCc1c2ccccc2[nH]c1-c1ccc(F)cc1)C(=O)[O-] ZINC001588406214 983424732 /nfs/dbraw/zinc/42/47/32/983424732.db2.gz ZMWAELOXITWEPU-IBGZPJMESA-N -1 0 378.403 3.499 20 30 GGEDRM C#CC[C@H](NC(=O)N1CCN(c2ccc(C(=O)[O-])s2)CC1)c1ccccc1 ZINC001588407962 983429890 /nfs/dbraw/zinc/42/98/90/983429890.db2.gz SGXMNOAJNJKDOW-INIZCTEOSA-N -1 0 383.473 3.043 20 30 GGEDRM C#CC[C@@H](NC(=O)c1cc(-c2ccc(C)s2)nc2c1cnn2C(C)C)C(=O)[O-] ZINC001588414284 983433804 /nfs/dbraw/zinc/43/38/04/983433804.db2.gz QDICMJDXJCHHNT-OAHLLOKOSA-N -1 0 396.472 3.255 20 30 GGEDRM C#CC[C@H](NC(=O)c1cn(-c2ccccc2)nc1-c1ccc(C)cc1C)C(=O)[O-] ZINC001588415865 983436056 /nfs/dbraw/zinc/43/60/56/983436056.db2.gz HKUWRVGWRZSWPA-FQEVSTJZSA-N -1 0 387.439 3.362 20 30 GGEDRM C#CC[C@@H](NC(=O)c1ccccc1-c1nc(-c2cccc(Cl)c2)no1)C(=O)[O-] ZINC001588417145 983438659 /nfs/dbraw/zinc/43/86/59/983438659.db2.gz YWWOLBMUFCVSKQ-MRXNPFEDSA-N -1 0 395.802 3.263 20 30 GGEDRM C#CC[C@H](NC(=O)c1sc(-c2ccc(C(F)(F)F)cc2)nc1C)C(=O)[O-] ZINC001588421231 983439840 /nfs/dbraw/zinc/43/98/40/983439840.db2.gz DQJZQFDYPARDHJ-LBPRGKRZSA-N -1 0 382.363 3.344 20 30 GGEDRM C#CC[C@@H](NC(=O)c1nn(-c2ccc(Cl)cc2)c2c1CCCCC2)C(=O)[O-] ZINC001588421375 983440642 /nfs/dbraw/zinc/44/06/42/983440642.db2.gz HSXZLDORNSVRNY-MRXNPFEDSA-N -1 0 385.851 3.001 20 30 GGEDRM C#CC[C@H](NCc1csc(N(C(C)=O)c2cccc(Cl)c2)n1)C(=O)[O-] ZINC001588423708 983454032 /nfs/dbraw/zinc/45/40/32/983454032.db2.gz OPKMTJBDFUDHEA-HNNXBMFYSA-N -1 0 377.853 3.047 20 30 GGEDRM C#CCC1(NC(=O)c2ccc(-n3nc(C)c(CCC(=O)[O-])c3C)cc2)CCC1 ZINC001588427962 983458849 /nfs/dbraw/zinc/45/88/49/983458849.db2.gz SXOONDOISICMGZ-UHFFFAOYSA-N -1 0 379.460 3.182 20 30 GGEDRM C#CC[C@H](NS(=O)(=O)c1sc(C(=O)[O-])c(Cl)c1C)c1ccccc1 ZINC001588428548 983462555 /nfs/dbraw/zinc/46/25/55/983462555.db2.gz SEAHDYWVHOVQNY-LBPRGKRZSA-N -1 0 383.878 3.451 20 30 GGEDRM C#CC[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2SCCC(=O)[O-])C1 ZINC001588434845 983472982 /nfs/dbraw/zinc/47/29/82/983472982.db2.gz VUORFEDUYYXSSZ-CYBMUJFWSA-N -1 0 376.434 3.037 20 30 GGEDRM CCN(C(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1)c1ccccc1C(=O)[O-] ZINC001596136549 983484316 /nfs/dbraw/zinc/48/43/16/983484316.db2.gz CUMUJVHMBRCSHU-HNNXBMFYSA-N -1 0 381.407 3.275 20 30 GGEDRM C#CCN([C@@H]1CCCc2ccccc21)S(=O)(=O)c1cc(C(=O)[O-])oc1CC ZINC001588463561 983491371 /nfs/dbraw/zinc/49/13/71/983491371.db2.gz AQKJLSRCZYWOTJ-MRXNPFEDSA-N -1 0 387.457 3.242 20 30 GGEDRM C#CCN([C@@H]1CCCc2ccccc21)S(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC001588463642 983491950 /nfs/dbraw/zinc/49/19/50/983491950.db2.gz HCYBAAJZQCSNLK-HXUWFJFHSA-N -1 0 383.469 3.015 20 30 GGEDRM C#CCN([C@@H]1CCCc2ccccc21)S(=O)(=O)Cc1ccccc1C(=O)[O-] ZINC001588463808 983492349 /nfs/dbraw/zinc/49/23/49/983492349.db2.gz LQSNQTPYWOZCJO-HXUWFJFHSA-N -1 0 383.469 3.227 20 30 GGEDRM C#CCN([C@@H]1CCCc2ccccc21)S(=O)(=O)c1cc(F)ccc1C(=O)[O-] ZINC001588463817 983492377 /nfs/dbraw/zinc/49/23/77/983492377.db2.gz MJLOXQNZYSCZTN-GOSISDBHSA-N -1 0 387.432 3.225 20 30 GGEDRM C#CCN([C@H]1CCCc2ccccc21)S(=O)(=O)c1ccc(C(=O)[O-])c(OC)c1 ZINC001588463855 983493003 /nfs/dbraw/zinc/49/30/03/983493003.db2.gz PJQZUALXZLLDNV-IBGZPJMESA-N -1 0 399.468 3.095 20 30 GGEDRM C#CCN(CC(=O)N[C@@H](CCC(=O)[O-])CC1CCCCC1)C(=O)OC(C)(C)C ZINC001588465817 983496582 /nfs/dbraw/zinc/49/65/82/983496582.db2.gz IUXBSJVGNCJBHU-KRWDZBQOSA-N -1 0 394.512 3.177 20 30 GGEDRM CCN(C(=O)Cc1ccc(Br)cc1C#N)c1ncc(C(=O)[O-])s1 ZINC001596143848 983498142 /nfs/dbraw/zinc/49/81/42/983498142.db2.gz VJEZVOGVVIFKHP-UHFFFAOYSA-N -1 0 394.250 3.071 20 30 GGEDRM C#CCN(Cc1ccccc1)C(=O)Nc1ccc(OCC(=O)[O-])c2ncccc12 ZINC001588469567 983502391 /nfs/dbraw/zinc/50/23/91/983502391.db2.gz LMLINEXUBIKZJI-UHFFFAOYSA-N -1 0 389.411 3.366 20 30 GGEDRM C#CCOc1ccc(CNC(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])cc1 ZINC001588497370 983538588 /nfs/dbraw/zinc/53/85/88/983538588.db2.gz ARKJEHFBCMRKLL-LJQANCHMSA-N -1 0 380.444 3.350 20 30 GGEDRM C#CCOc1ccc(C(=O)Oc2cc(Br)cc(C(=O)[O-])c2)cc1 ZINC001588497487 983538983 /nfs/dbraw/zinc/53/89/83/983538983.db2.gz JPZKBRKOTNTGGF-UHFFFAOYSA-N -1 0 375.174 3.379 20 30 GGEDRM C#CCOc1cc(F)ccc1NC(=O)NC[C@](CC)(C(=O)[O-])c1ccccc1 ZINC001588498748 983544244 /nfs/dbraw/zinc/54/42/44/983544244.db2.gz DUCGVFOBIICFCD-NRFANRHFSA-N -1 0 384.407 3.392 20 30 GGEDRM C#CCOc1cc(F)ccc1NC(=O)N1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC001588499047 983544565 /nfs/dbraw/zinc/54/45/65/983544565.db2.gz LOFAVEUGQLKYAJ-OAQYLSRUSA-N -1 0 382.391 3.098 20 30 GGEDRM C#CCOc1ccccc1NC(=O)N1CCC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC001588504417 983547336 /nfs/dbraw/zinc/54/73/36/983547336.db2.gz AKXMEKHGLPORML-CYBMUJFWSA-N -1 0 385.445 3.265 20 30 GGEDRM CCN([C@H](C)c1ccc(C#N)cc1)S(=O)(=O)c1ccc(F)cc1C(=O)[O-] ZINC001596178154 983547987 /nfs/dbraw/zinc/54/79/87/983547987.db2.gz OCCQZRLDTHAVHX-GFCCVEGCSA-N -1 0 376.409 3.167 20 30 GGEDRM CCN([C@H](C)c1ccc(C#N)cc1)S(=O)(=O)c1cc(OC)ccc1C(=O)[O-] ZINC001596178561 983548195 /nfs/dbraw/zinc/54/81/95/983548195.db2.gz SUWZVKZHVYAEBK-CYBMUJFWSA-N -1 0 388.445 3.037 20 30 GGEDRM CCN([C@@H](C)c1ccc(C#N)cc1)S(=O)(=O)c1cc(OC)ccc1C(=O)[O-] ZINC001596178562 983548608 /nfs/dbraw/zinc/54/86/08/983548608.db2.gz SUWZVKZHVYAEBK-ZDUSSCGKSA-N -1 0 388.445 3.037 20 30 GGEDRM CCN([C@H](C)c1ccc(C#N)cc1)S(=O)(=O)CC1(C(=O)[O-])CCCCC1 ZINC001596178854 983548656 /nfs/dbraw/zinc/54/86/56/983548656.db2.gz VSTZFIHVOBZKQO-OAHLLOKOSA-N -1 0 378.494 3.306 20 30 GGEDRM C#Cc1ccc(C(=O)N(C)[C@H](C(=O)[O-])c2ccc(Br)s2)cc1 ZINC001588510447 983555830 /nfs/dbraw/zinc/55/58/30/983555830.db2.gz GVEBURBSQLHDOT-AWEZNQCLSA-N -1 0 378.247 3.390 20 30 GGEDRM C#Cc1ccc(NC(=O)[C@@H](CCC(=O)[O-])NC(=O)OC(C)(C)C)c(Cl)c1 ZINC001588517068 983563078 /nfs/dbraw/zinc/56/30/78/983563078.db2.gz JMFNSIGEUFXCEA-CQSZACIVSA-N -1 0 380.828 3.018 20 30 GGEDRM C#Cc1cccc(N(CC(=O)Nc2cccc(C(=O)[O-])n2)Cc2cccs2)c1 ZINC001588522081 983569455 /nfs/dbraw/zinc/56/94/55/983569455.db2.gz AATSZIGQEYPZGR-UHFFFAOYSA-N -1 0 391.452 3.468 20 30 GGEDRM C#Cc1cccc(NC(=O)CN(C)[C@@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)c1 ZINC001588523909 983573745 /nfs/dbraw/zinc/57/37/45/983573745.db2.gz XYHSHFFXPSUFDL-GOSISDBHSA-N -1 0 390.361 3.383 20 30 GGEDRM C#Cc1ccccc1CC(=O)N[C@H](CC(=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC001588524475 983574925 /nfs/dbraw/zinc/57/49/25/983574925.db2.gz LNCAHZQSFABKER-QGZVFWFLSA-N -1 0 391.345 3.441 20 30 GGEDRM C#Cc1ccccc1CC(=O)N(C)[C@@H](C(=O)[O-])c1ccc(Br)s1 ZINC001588524627 983575740 /nfs/dbraw/zinc/57/57/40/983575740.db2.gz OHZVKHDKSJJOCP-MRXNPFEDSA-N -1 0 392.274 3.319 20 30 GGEDRM C#Cc1cncc(C(=O)N(c2ccc(Br)cc2C)[C@H](C)C(=O)[O-])c1 ZINC001588528639 983577452 /nfs/dbraw/zinc/57/74/52/983577452.db2.gz CVHBHQSPXYBYDK-GFCCVEGCSA-N -1 0 387.233 3.254 20 30 GGEDRM C=C(Br)CNC(=O)Nc1cc(Br)c(F)c(C(=O)[O-])c1 ZINC001588528642 983577529 /nfs/dbraw/zinc/57/75/29/983577529.db2.gz BQKWMYSZZAFYGL-UHFFFAOYSA-N -1 0 396.010 3.317 20 30 GGEDRM C=C(C)[C@H](CC(=O)N[C@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)[O-])OCC ZINC001588529807 983582397 /nfs/dbraw/zinc/58/23/97/983582397.db2.gz HBLOEQKDXMMBQD-CABCVRRESA-N -1 0 389.370 3.068 20 30 GGEDRM C=C(C)[C@@H](CC(=O)N[C@@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)[O-])OCC ZINC001588529812 983582404 /nfs/dbraw/zinc/58/24/04/983582404.db2.gz HBLOEQKDXMMBQD-LSDHHAIUSA-N -1 0 389.370 3.068 20 30 GGEDRM C=C(C)[C@H](NS(=O)(=O)c1ccc(C(=O)[O-])cc1OC)c1ccc(F)c(F)c1 ZINC001588534048 983585023 /nfs/dbraw/zinc/58/50/23/983585023.db2.gz DSRNRODRUBRSAL-KRWDZBQOSA-N -1 0 397.399 3.267 20 30 GGEDRM C=C(C)[C@H](NS(=O)(=O)c1cccc(F)c1C(=O)[O-])c1ccc(F)c(F)c1 ZINC001588535418 983589146 /nfs/dbraw/zinc/58/91/46/983589146.db2.gz OHXUZHRHLJNBDU-INIZCTEOSA-N -1 0 385.363 3.398 20 30 GGEDRM C=C(C)[C@@H](NC(=O)C(=O)Nc1cc(C(=O)[O-])cs1)c1ccc(F)c(F)c1 ZINC001588535901 983591244 /nfs/dbraw/zinc/59/12/44/983591244.db2.gz RWURIJPHGBSIGQ-CQSZACIVSA-N -1 0 380.372 3.097 20 30 GGEDRM C=C(C)[C@H](NC(=O)NCc1cc(C(=O)[O-])c(C)n1C)c1ccc(F)c(F)c1 ZINC001588536603 983594961 /nfs/dbraw/zinc/59/49/61/983594961.db2.gz ZEQZWAAXLDFQMU-KRWDZBQOSA-N -1 0 377.391 3.427 20 30 GGEDRM C=C(C)C[C@H](NC(=O)[C@@H](C)[C@H](NC(=O)OC(C)(C)C)c1ccccc1)C(=O)[O-] ZINC001588537206 983598381 /nfs/dbraw/zinc/59/83/81/983598381.db2.gz JYCJVVOLEOEEHS-XIRDDKMYSA-N -1 0 390.480 3.424 20 30 GGEDRM C=C(C)C[C@@H](NC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1)C(=O)[O-] ZINC001588540490 983603870 /nfs/dbraw/zinc/60/38/70/983603870.db2.gz HOESRYNUFDANFW-RTBURBONSA-N -1 0 380.444 3.083 20 30 GGEDRM C=C(C)C[C@@H](NC(=O)C[C@@H](O)c1ccc(OCc2ccccc2)cc1)C(=O)[O-] ZINC001588540467 983603893 /nfs/dbraw/zinc/60/38/93/983603893.db2.gz GTYVAEYBLAAOAS-WOJBJXKFSA-N -1 0 383.444 3.225 20 30 GGEDRM C=C(C)C[C@@H](NC(=O)CCSc1ncnc2sc(C)c(C)c21)C(=O)[O-] ZINC001588540535 983604457 /nfs/dbraw/zinc/60/44/57/983604457.db2.gz ISGGJRDKHQKNIL-GFCCVEGCSA-N -1 0 379.507 3.326 20 30 GGEDRM C=C(C)C[C@@H](NC(=O)CCc1nc2ccccc2n1-c1ccccc1)C(=O)[O-] ZINC001588542288 983608003 /nfs/dbraw/zinc/60/80/03/983608003.db2.gz FNMBGSVTXKEZGH-GOSISDBHSA-N -1 0 377.444 3.494 20 30 GGEDRM C=C(C)C[C@H](NC(=O)Cc1csc(Cc2cccc(Cl)c2)n1)C(=O)[O-] ZINC001588542850 983610018 /nfs/dbraw/zinc/61/00/18/983610018.db2.gz AEBIHAODRGTWCQ-HNNXBMFYSA-N -1 0 378.881 3.465 20 30 GGEDRM C=C(C)C[C@@H](NC(=O)Cn1c2ccccc2nc1-c1scnc1C)C(=O)[O-] ZINC001588543289 983611293 /nfs/dbraw/zinc/61/12/93/983611293.db2.gz FKVAYCQAENYCIE-CQSZACIVSA-N -1 0 384.461 3.004 20 30 GGEDRM C=C(C)C[C@@H](NC(=O)c1cc(Br)c(Cl)cc1OC)C(=O)[O-] ZINC001588544155 983613430 /nfs/dbraw/zinc/61/34/30/983613430.db2.gz VHIYRTUCBSKERL-LLVKDONJSA-N -1 0 376.634 3.260 20 30 GGEDRM C=C(C)C[C@H](NC(=O)c1cc(-c2ccco2)nc2c1cnn2C(C)C)C(=O)[O-] ZINC001588544203 983613482 /nfs/dbraw/zinc/61/34/82/983613482.db2.gz XEUXGDFRDZXOKP-INIZCTEOSA-N -1 0 382.420 3.421 20 30 GGEDRM C=C(C)C[C@H](NC(=O)c1cc(C)n(-c2ccc(Br)cc2)n1)C(=O)[O-] ZINC001588544275 983613981 /nfs/dbraw/zinc/61/39/81/983613981.db2.gz ZXWILVBYFYFSAS-HNNXBMFYSA-N -1 0 392.253 3.092 20 30 GGEDRM C=C(C)C[C@H](NC(=O)c1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2)C(=O)[O-] ZINC001588546446 983615377 /nfs/dbraw/zinc/61/53/77/983615377.db2.gz LHVRUEKEEJLPCZ-ZDUSSCGKSA-N -1 0 394.493 3.191 20 30 GGEDRM C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC001588547206 983618716 /nfs/dbraw/zinc/61/87/16/983618716.db2.gz HVWDTTKCEGMPNH-OAQYLSRUSA-N -1 0 390.439 3.194 20 30 GGEDRM C=C(C)C[C@H](NC(=O)c1nc(CCC)n(-c2ccccc2Cl)n1)C(=O)[O-] ZINC001588547980 983622234 /nfs/dbraw/zinc/62/22/34/983622234.db2.gz PEHVAGPVNSAYCW-ZDUSSCGKSA-N -1 0 376.844 3.022 20 30 GGEDRM C=C(C)C[C@H](NC(=O)c1coc(-c2ccc(Br)cc2F)n1)C(=O)[O-] ZINC001588548602 983624458 /nfs/dbraw/zinc/62/44/58/983624458.db2.gz RLWCJCGBWGJLIO-LBPRGKRZSA-N -1 0 397.200 3.392 20 30 GGEDRM CCN(C[C@H](C)C#N)C(=O)CSc1ccc(Br)cc1C(=O)[O-] ZINC001596231056 983625609 /nfs/dbraw/zinc/62/56/09/983625609.db2.gz GMZGGDLFAJADSD-SNVBAGLBSA-N -1 0 385.283 3.248 20 30 GGEDRM C=C(C)C[C@H](NS(=O)(=O)c1ccc(Oc2cccc(C)c2)cc1)C(=O)[O-] ZINC001588555463 983635164 /nfs/dbraw/zinc/63/51/64/983635164.db2.gz JGKFLOHCONPAOX-SFHVURJKSA-N -1 0 375.446 3.485 20 30 GGEDRM C=C(C)CN(CC(=O)Nc1ccsc1C(=O)[O-])Cc1cnn(C(C)C)c1 ZINC001588561442 983641442 /nfs/dbraw/zinc/64/14/42/983641442.db2.gz AZMOSCSBJSBXSP-UHFFFAOYSA-N -1 0 376.482 3.241 20 30 GGEDRM C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccc(CC(=O)[O-])c(F)c1 ZINC001588567261 983646413 /nfs/dbraw/zinc/64/64/13/983646413.db2.gz HLSVWYOFLOXTBR-UHFFFAOYSA-N -1 0 376.384 3.148 20 30 GGEDRM C=C(C)CN(Cc1ccccc1)S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F ZINC001588567329 983647044 /nfs/dbraw/zinc/64/70/44/983647044.db2.gz JTKKVCQXOYXVQB-UHFFFAOYSA-N -1 0 381.400 3.430 20 30 GGEDRM C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccc(C(=O)[O-])cc1OCC ZINC001588567654 983647351 /nfs/dbraw/zinc/64/73/51/983647351.db2.gz PQIKTIXIXCCVTI-UHFFFAOYSA-N -1 0 388.420 3.479 20 30 GGEDRM C=C(C)Cn1c(-c2cc(C)nnc2C)nnc1N1CCC(CCC(=O)[O-])CC1 ZINC001588577204 983655683 /nfs/dbraw/zinc/65/56/83/983655683.db2.gz QLUMWGICQPILNF-UHFFFAOYSA-N -1 0 384.484 3.009 20 30 GGEDRM C=C(C)Cn1c(-c2c[nH]c(C3CC3)n2)nnc1N1CCC(CCC(=O)[O-])CC1 ZINC001588577361 983656252 /nfs/dbraw/zinc/65/62/52/983656252.db2.gz STNUQBAGHYYGRJ-UHFFFAOYSA-N -1 0 384.484 3.203 20 30 GGEDRM C=C(C)Cn1c(-c2cnoc2-c2ccoc2)nnc1N1CCC(C(=O)[O-])CC1 ZINC001588578371 983658069 /nfs/dbraw/zinc/65/80/69/983658069.db2.gz FFIHBKOGIFAGKJ-UHFFFAOYSA-N -1 0 383.408 3.070 20 30 GGEDRM C=C(C)Cn1c(-c2cnoc2-c2ccoc2)nnc1N1CC[C@](C)(C(=O)[O-])C1 ZINC001588578361 983658111 /nfs/dbraw/zinc/65/81/11/983658111.db2.gz DXYBCXCUCSTAHF-IBGZPJMESA-N -1 0 383.408 3.070 20 30 GGEDRM C=C(C)Cn1c(-c2cccc(C(F)(F)F)c2)nnc1N1CC[C@H](C(=O)[O-])C1 ZINC001588578360 983658209 /nfs/dbraw/zinc/65/82/09/983658209.db2.gz DXVWIMFLZPWUOG-ZDUSSCGKSA-N -1 0 380.370 3.451 20 30 GGEDRM C=C(C)Cn1c(-c2ccc(CC#N)cc2)nnc1N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001588578481 983658507 /nfs/dbraw/zinc/65/85/07/983658507.db2.gz 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983767208 /nfs/dbraw/zinc/76/72/08/983767208.db2.gz RKTMGAQQXYEHJC-ISVAXAHUSA-N -1 0 376.931 3.454 20 30 GGEDRM C=C(Cl)CSc1nc(C)c(CC(=O)N[C@@H](CC(C)C)C(=O)[O-])s1 ZINC001588643697 983767284 /nfs/dbraw/zinc/76/72/84/983767284.db2.gz RVKHFRNROLKWFQ-NSHDSACASA-N -1 0 376.931 3.454 20 30 GGEDRM C=CC(C)(C)CCNC(=O)N1CCN([C@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC001588677082 983833277 /nfs/dbraw/zinc/83/32/77/983833277.db2.gz ORIBZXKOJYVMMB-KRWDZBQOSA-N -1 0 393.915 3.395 20 30 GGEDRM C=CC(C)(C)CNC(=O)N1CCOc2c(Br)cc(C(=O)[O-])cc2C1 ZINC001588677091 983833309 /nfs/dbraw/zinc/83/33/09/983833309.db2.gz PIIIVTLOSXFFCZ-UHFFFAOYSA-N -1 0 397.269 3.264 20 30 GGEDRM CCN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(C#N)cc1C(=O)[O-] ZINC001596371840 983874037 /nfs/dbraw/zinc/87/40/37/983874037.db2.gz OWDJGSBVCYGJTH-UHFFFAOYSA-N -1 0 378.837 3.121 20 30 GGEDRM C=C[C@@H](CC(=O)N[C@@](C)(Cn1cnc2ccccc21)C(=O)[O-])c1ccccc1 ZINC001588690875 983877847 /nfs/dbraw/zinc/87/78/47/983877847.db2.gz NIRKPJUWRIFIGH-AOMKIAJQSA-N -1 0 377.444 3.356 20 30 GGEDRM C=C[C@@H](CC(=O)O[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1)c1ccccc1 ZINC001588691386 983881091 /nfs/dbraw/zinc/88/10/91/983881091.db2.gz ZMQZLSLDDLBEBH-UAGQMJEPSA-N -1 0 389.448 3.352 20 30 GGEDRM C=CC1(CC(=O)N2CCc3ccc(C(=O)[O-])cc32)CN(C(=O)OC(C)(C)C)C1 ZINC001588714618 983952249 /nfs/dbraw/zinc/95/22/49/983952249.db2.gz JPPNSZPYXMEWIT-UHFFFAOYSA-N -1 0 386.448 3.087 20 30 GGEDRM C=C[C@@H](Sc1nnc(-c2ccccn2)n1-c1ccc(OCC)cc1)C(=O)[O-] ZINC001588714685 983952253 /nfs/dbraw/zinc/95/22/53/983952253.db2.gz KZHDKTVXFMCOJH-MRXNPFEDSA-N -1 0 382.445 3.459 20 30 GGEDRM C=C[C@@H](Sc1nc2cc(Cl)ccc2c(=O)n1CCCOCC)C(=O)[O-] ZINC001588714839 983953241 /nfs/dbraw/zinc/95/32/41/983953241.db2.gz OZINTOBYZVSRRI-CQSZACIVSA-N -1 0 382.869 3.208 20 30 GGEDRM C=C[C@@H](Sc1nnc2n1c1ccccc1c(=O)n2-c1ccc(C)cc1)C(=O)[O-] ZINC001588714806 983953540 /nfs/dbraw/zinc/95/35/40/983953540.db2.gz NXXQJJGZMAKGSR-MRXNPFEDSA-N -1 0 392.440 3.073 20 30 GGEDRM C=C[C@@H](Sc1nnc(-c2ccccc2)n1Cc1ccc2c(c1)OCO2)C(=O)[O-] ZINC001588715296 983954913 /nfs/dbraw/zinc/95/49/13/983954913.db2.gz UWRUPVIXRABMCL-QGZVFWFLSA-N -1 0 395.440 3.453 20 30 GGEDRM C=CCC(C)(C)Cn1c(-c2ccc(OC)cc2)nnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001588736865 984027340 /nfs/dbraw/zinc/02/73/40/984027340.db2.gz XNEWKNGSXYYPFG-MRXNPFEDSA-N -1 0 384.480 3.467 20 30 GGEDRM C=CC[C@H](Cc1ccccc1)NC(=O)Nc1cccc(-n2cc(C(=O)[O-])nn2)c1 ZINC001588744454 984042794 /nfs/dbraw/zinc/04/27/94/984042794.db2.gz LNTKZEZEGAWXDZ-MRXNPFEDSA-N -1 0 391.431 3.274 20 30 GGEDRM C=CC[C@@H](Cc1ccccc1)NC(=O)Nc1cccc(-n2cc(C(=O)[O-])nn2)c1 ZINC001588744453 984042849 /nfs/dbraw/zinc/04/28/49/984042849.db2.gz LNTKZEZEGAWXDZ-INIZCTEOSA-N -1 0 391.431 3.274 20 30 GGEDRM C=CC[C@@H](NS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1OC)c1ccncc1 ZINC001588749521 984065885 /nfs/dbraw/zinc/06/58/85/984065885.db2.gz LKHGNMAWPIUXBA-CQSZACIVSA-N -1 0 396.852 3.038 20 30 GGEDRM C=CC[C@H](NS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F)c1ccncc1 ZINC001588750284 984071492 /nfs/dbraw/zinc/07/14/92/984071492.db2.gz VLYHYDMPFKTWDN-ZDUSSCGKSA-N -1 0 384.816 3.168 20 30 GGEDRM C=CC[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1C)c1ccncc1 ZINC001588750706 984073276 /nfs/dbraw/zinc/07/32/76/984073276.db2.gz YPKOXSQAKYPPNC-OAHLLOKOSA-N -1 0 380.853 3.337 20 30 GGEDRM C=CC[C@]1(C(=O)NC[C@H](CC(C)C)C(=O)[O-])CCCN1C(=O)OC(C)(C)C ZINC001588761996 984114956 /nfs/dbraw/zinc/11/49/56/984114956.db2.gz DWQJCXZZOHJGQH-MGPUTAFESA-N -1 0 382.501 3.195 20 30 GGEDRM C=CC[C@@]1(C(=O)NC[C@H](CC(C)C)C(=O)[O-])CCCN1C(=O)OC(C)(C)C ZINC001588761998 984114982 /nfs/dbraw/zinc/11/49/82/984114982.db2.gz DWQJCXZZOHJGQH-YWZLYKJASA-N -1 0 382.501 3.195 20 30 GGEDRM C=CC[C@H](Sc1nnc(N2CCC(C)CC2)n1Cc1ccco1)C(=O)[O-] ZINC001588762452 984116167 /nfs/dbraw/zinc/11/61/67/984116167.db2.gz JDVYMMIXDWLALM-HNNXBMFYSA-N -1 0 376.482 3.277 20 30 GGEDRM C=CC[C@@]1(C(=O)NCC2(C(=O)[O-])CCCCC2)CCCN1C(=O)OC(C)(C)C ZINC001588762747 984117370 /nfs/dbraw/zinc/11/73/70/984117370.db2.gz LYKDNIVOQREIRZ-NRFANRHFSA-N -1 0 394.512 3.484 20 30 GGEDRM C=CC[C@@]1(C(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)CCCN1C(=O)OC(C)(C)C ZINC001588762921 984117490 /nfs/dbraw/zinc/11/74/90/984117490.db2.gz NGNFAUHDYOQLBQ-JHVJFLLYSA-N -1 0 392.496 3.046 20 30 GGEDRM C=CC[C@]1(C(=O)NCC2(C(=O)[O-])CCCCC2)CCCN1C(=O)OC(C)(C)C ZINC001588762749 984117567 /nfs/dbraw/zinc/11/75/67/984117567.db2.gz LYKDNIVOQREIRZ-OAQYLSRUSA-N -1 0 394.512 3.484 20 30 GGEDRM C=CC[C@@]1(C(=O)N(C)c2ncc(C(=O)[O-])s2)CCCN1C(=O)OC(C)(C)C ZINC001588763000 984117921 /nfs/dbraw/zinc/11/79/21/984117921.db2.gz PNTKHDNWBGQVSN-SFHVURJKSA-N -1 0 395.481 3.150 20 30 GGEDRM C=CC[C@@]1(C(=O)N2CCC(CC(=O)[O-])CC2)CCCN1C(=O)OC(C)(C)C ZINC001588763606 984119500 /nfs/dbraw/zinc/11/95/00/984119500.db2.gz UNYUAPXMZSKGHR-FQEVSTJZSA-N -1 0 380.485 3.046 20 30 GGEDRM C=CC[C@H](Sc1nnc(-c2ccccn2)n1-c1ccc(OC)cc1)C(=O)[O-] ZINC001588763758 984120769 /nfs/dbraw/zinc/12/07/69/984120769.db2.gz YOEYHMDSPWPNMG-INIZCTEOSA-N -1 0 382.445 3.459 20 30 GGEDRM C=CC[C@]1(C(=O)Nc2ccc(C(=O)[O-])nc2)CCCN1C(=O)OC(C)(C)C ZINC001588764949 984124274 /nfs/dbraw/zinc/12/42/74/984124274.db2.gz MJZXEOMJUZWOCL-LJQANCHMSA-N -1 0 375.425 3.064 20 30 GGEDRM C=CC[C@@]1(C(=O)Nc2cccc(C(=O)[O-])c2N)CCCN1C(=O)OC(C)(C)C ZINC001588765342 984126281 /nfs/dbraw/zinc/12/62/81/984126281.db2.gz YFEWMYVZUYRQCG-FQEVSTJZSA-N -1 0 389.452 3.251 20 30 GGEDRM C=CCC1(O)CCN(C(=O)Nc2ccc(N3CCCCC3)c(C(=O)[O-])c2)CC1 ZINC001588769471 984133407 /nfs/dbraw/zinc/13/34/07/984133407.db2.gz VLSHTIDJVVPGBQ-UHFFFAOYSA-N -1 0 387.480 3.310 20 30 GGEDRM C=CC[C@H]1CCCN(S(=O)(=O)c2cc(Br)cc(C(=O)[O-])c2)C1 ZINC001588772355 984142466 /nfs/dbraw/zinc/14/24/66/984142466.db2.gz DNEKTEYQCGSISE-NSHDSACASA-N -1 0 388.283 3.124 20 30 GGEDRM C=CC[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)[O-])ccc2Br)C1 ZINC001588772595 984143694 /nfs/dbraw/zinc/14/36/94/984143694.db2.gz JIHPQMWDPWWBPX-LLVKDONJSA-N -1 0 388.283 3.124 20 30 GGEDRM C=CC[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)[O-])cc(C(F)(F)F)c2)C1 ZINC001588772691 984144755 /nfs/dbraw/zinc/14/47/55/984144755.db2.gz LTPFHPPAOOQPLY-LLVKDONJSA-N -1 0 377.384 3.380 20 30 GGEDRM C=CCC[C@H](c1ccc(C(F)(F)F)cc1)N1C(=O)N[C@H](CCC(=O)[O-])C1=O ZINC001588778587 984161433 /nfs/dbraw/zinc/16/14/33/984161433.db2.gz FYBZOCGUWNHIBW-ZIAGYGMSSA-N -1 0 384.354 3.498 20 30 GGEDRM C=CCC[C@H](NC(=O)N1CCC[C@H](n2cc(C(=O)[O-])nn2)C1)c1ccccc1 ZINC001588778594 984161475 /nfs/dbraw/zinc/16/14/75/984161475.db2.gz GCYXUHCHFSMNOH-IRXDYDNUSA-N -1 0 383.452 3.030 20 30 GGEDRM C=CCC[C@@H](NC(=O)N1CCC[C@H](n2cc(C(=O)[O-])nn2)C1)c1ccccc1 ZINC001588778592 984161533 /nfs/dbraw/zinc/16/15/33/984161533.db2.gz GCYXUHCHFSMNOH-DLBZAZTESA-N -1 0 383.452 3.030 20 30 GGEDRM C=CCC[C@@H](NC(=O)N1CCC(O)(C2(C(=O)[O-])CCC2)CC1)c1ccccc1 ZINC001588778648 984162017 /nfs/dbraw/zinc/16/20/17/984162017.db2.gz ICTJXESTYQYSGI-GOSISDBHSA-N -1 0 386.492 3.485 20 30 GGEDRM C=CCC[C@@H](NC(=O)N1CCC(n2cc(C(=O)[O-])nn2)CC1)c1ccccc1 ZINC001588778958 984163601 /nfs/dbraw/zinc/16/36/01/984163601.db2.gz OPBRMIPRHFPMHY-QGZVFWFLSA-N -1 0 383.452 3.030 20 30 GGEDRM C=CCC[C@@H]1CCCN1S(=O)(=O)c1cccc(C(=O)[O-])c1Br ZINC001588781563 984167136 /nfs/dbraw/zinc/16/71/36/984167136.db2.gz BWHPXLONCRNKAZ-LLVKDONJSA-N -1 0 388.283 3.267 20 30 GGEDRM C=CCCC[C@@H](C)NC(=O)N1C[C@H](C(=O)OC(C)(C)C)C2(CC(C(=O)[O-])C2)C1 ZINC001588782274 984170952 /nfs/dbraw/zinc/17/09/52/984170952.db2.gz BITRVSRFZFOGCP-KHQOZGCUSA-N -1 0 394.512 3.195 20 30 GGEDRM C=CCCC1(CNS(=O)(=O)c2ccc(OC)cc2CC(=O)[O-])CCCC1 ZINC001588782308 984171159 /nfs/dbraw/zinc/17/11/59/984171159.db2.gz SSTMBHLPQSFTJY-UHFFFAOYSA-N -1 0 381.494 3.127 20 30 GGEDRM C=CCCC[C@H](NC(=O)[C@](C)(NC(=O)OC(C)(C)C)c1ccccc1)C(=O)[O-] ZINC001588786706 984184596 /nfs/dbraw/zinc/18/45/96/984184596.db2.gz QYVAQIRIURWIAD-HRAATJIYSA-N -1 0 390.480 3.352 20 30 GGEDRM C=CCCC[C@@H](NC(=O)C(F)(F)c1ccccc1Br)C(=O)[O-] ZINC001588787031 984185370 /nfs/dbraw/zinc/18/53/70/984185370.db2.gz SPWZUOMXBMVGCT-GFCCVEGCSA-N -1 0 376.197 3.467 20 30 GGEDRM C=CCCC[C@@H](NC(=O)[C@H](NC(=O)OCc1ccccc1)C(C)(C)C)C(=O)[O-] ZINC001588787332 984186336 /nfs/dbraw/zinc/18/63/36/984186336.db2.gz VMWFQFHWJIKNTQ-SJORKVTESA-N -1 0 390.480 3.253 20 30 GGEDRM C=CCCC[C@H](NC(=O)CCc1nc(-c2ccc(Cl)cc2)no1)C(=O)[O-] ZINC001588788403 984189703 /nfs/dbraw/zinc/18/97/03/984189703.db2.gz AZTWJNFQWZEWRA-AWEZNQCLSA-N -1 0 377.828 3.248 20 30 GGEDRM C=CCCC[C@H](NC(=O)CCc1nc(-c2ccc(C)c(F)c2)no1)C(=O)[O-] ZINC001588788467 984190401 /nfs/dbraw/zinc/19/04/01/984190401.db2.gz CYAFKFJSHDTAHN-HNNXBMFYSA-N -1 0 375.400 3.042 20 30 GGEDRM C=CCCC[C@H](NC(=O)Cc1c[nH]c2ccc(Br)cc12)C(=O)[O-] ZINC001588788869 984193883 /nfs/dbraw/zinc/19/38/83/984193883.db2.gz QELWZOPLOBGUAC-HNNXBMFYSA-N -1 0 379.254 3.399 20 30 GGEDRM C=CCCC[C@@H](NC(=O)[C@@H]1CCOc2ccc(Br)cc21)C(=O)[O-] ZINC001588789312 984197900 /nfs/dbraw/zinc/19/79/00/984197900.db2.gz AWIMYHJPTDBNNG-TZMCWYRMSA-N -1 0 382.254 3.241 20 30 GGEDRM C=CCCC[C@H](NC(=O)C1(NC(=O)OC(C)(C)C)CC2(CCC2)C1)C(=O)[O-] ZINC001588789564 984199176 /nfs/dbraw/zinc/19/91/76/984199176.db2.gz FMHPPFGLBSQZRH-AWEZNQCLSA-N -1 0 380.485 3.140 20 30 GGEDRM C=CCCC[C@H](NC(=O)[C@H]1CC[C@@H](C2CC2)N1C(=O)OC(C)(C)C)C(=O)[O-] ZINC001588789871 984201574 /nfs/dbraw/zinc/20/15/74/984201574.db2.gz LTHSQCNXCSHLPA-HRCADAONSA-N -1 0 380.485 3.090 20 30 GGEDRM C=CCCC[C@@H](NC(=O)[C@H]1CC(c2ccc(Cl)cc2Cl)=NO1)C(=O)[O-] ZINC001588789932 984202208 /nfs/dbraw/zinc/20/22/08/984202208.db2.gz NHYRHTNUVVVFQK-UKRRQHHQSA-N -1 0 385.247 3.412 20 30 GGEDRM C=CCCC[C@@H](NC(=O)[C@@H]1CCCN(C(=O)c2cc(C)cc(C)c2)C1)C(=O)[O-] ZINC001588789947 984202839 /nfs/dbraw/zinc/20/28/39/984202839.db2.gz NRJXAPOOPAOKEU-IEBWSBKVSA-N -1 0 386.492 3.081 20 30 GGEDRM C=CCCC[C@H](NC(=O)[C@@H]1C[C@H]1c1cc2c(cc1OCC)C[C@@H](C)O2)C(=O)[O-] ZINC001588790544 984206526 /nfs/dbraw/zinc/20/65/26/984206526.db2.gz YOBLZDUXNANUHK-SIUPPRGNSA-N -1 0 387.476 3.438 20 30 GGEDRM C=CCCC[C@H](NC(=O)[C@@H]1C[C@H]1c1cc2c(cc1OCC)C[C@H](C)O2)C(=O)[O-] ZINC001588790543 984206539 /nfs/dbraw/zinc/20/65/39/984206539.db2.gz YOBLZDUXNANUHK-PLYYQAHHSA-N -1 0 387.476 3.438 20 30 GGEDRM C=CCCC[C@H](NC(=O)c1cc(NC(=O)OC)cc(C(F)(F)F)c1)C(=O)[O-] ZINC001588792280 984207846 /nfs/dbraw/zinc/20/78/46/984207846.db2.gz BSOMCSPIMCBWSV-ZDUSSCGKSA-N -1 0 388.342 3.423 20 30 GGEDRM C=CCCC[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)C(=O)[O-] ZINC001588792569 984210499 /nfs/dbraw/zinc/21/04/99/984210499.db2.gz BEPJYIKMZQTRQJ-GOSISDBHSA-N -1 0 398.459 3.155 20 30 GGEDRM C=CCCC[C@@H](NC(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1)C(=O)[O-] ZINC001588792889 984213709 /nfs/dbraw/zinc/21/37/09/984213709.db2.gz PCLCYYXTBOKIJJ-QGZVFWFLSA-N -1 0 388.851 3.089 20 30 GGEDRM C=CCCC[C@@H](NC(=O)c1cc(-c2c(C)nn([C@H](C)CC)c2C)n[nH]1)C(=O)[O-] ZINC001588792822 984213730 /nfs/dbraw/zinc/21/37/30/984213730.db2.gz OAAGPWPVRZDGEJ-IUODEOHRSA-N -1 0 387.484 3.400 20 30 GGEDRM C=CCCC[C@H](NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1O)C(=O)[O-] ZINC001588792971 984214866 /nfs/dbraw/zinc/21/48/66/984214866.db2.gz IXLXRJHGOUNEKV-AWEZNQCLSA-N -1 0 378.425 3.279 20 30 GGEDRM C=CCCC[C@@H](NC(=O)c1ccn(-c2ccc(Br)cc2)n1)C(=O)[O-] ZINC001588793610 984220530 /nfs/dbraw/zinc/22/05/30/984220530.db2.gz ULSXJUXUUWKKCD-OAHLLOKOSA-N -1 0 392.253 3.174 20 30 GGEDRM C=CCCC[C@H](NC(=O)c1ccn(-c2ccc(Br)cc2)n1)C(=O)[O-] ZINC001588793609 984220555 /nfs/dbraw/zinc/22/05/55/984220555.db2.gz ULSXJUXUUWKKCD-HNNXBMFYSA-N -1 0 392.253 3.174 20 30 GGEDRM C=CCCC[C@H](NC(=O)c1c(C(F)(F)F)nn(CC)c1C(F)F)C(=O)[O-] ZINC001588794049 984224278 /nfs/dbraw/zinc/22/42/78/984224278.db2.gz JWRMCQLGYBBGLI-QMMMGPOBSA-N -1 0 383.317 3.399 20 30 GGEDRM C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C(=O)[O-])c1ccccc1 ZINC001588794147 984224804 /nfs/dbraw/zinc/22/48/04/984224804.db2.gz MPNPCJFNQPZXHB-JKSUJKDBSA-N -1 0 376.453 3.178 20 30 GGEDRM C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C(=O)[O-])c1ccsc1 ZINC001588794234 984226007 /nfs/dbraw/zinc/22/60/07/984226007.db2.gz OYAGUCZKKPUJTQ-UONOGXRCSA-N -1 0 382.482 3.240 20 30 GGEDRM C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@](C)(C(=O)[O-])c1ccccc1 ZINC001588794279 984226079 /nfs/dbraw/zinc/22/60/79/984226079.db2.gz PXGIFOYKNURJFM-KKSFZXQISA-N -1 0 390.480 3.352 20 30 GGEDRM C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cc(C)c(C(=O)[O-])o1 ZINC001588794421 984226933 /nfs/dbraw/zinc/22/69/33/984226933.db2.gz UGISXRKWLSXVCQ-CQSZACIVSA-N -1 0 380.441 3.152 20 30 GGEDRM C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc(C)c(C(=O)[O-])s1 ZINC001588794542 984228231 /nfs/dbraw/zinc/22/82/31/984228231.db2.gz YFSHQYPVOHDUGO-NSHDSACASA-N -1 0 383.470 3.338 20 30 GGEDRM C=CCCC[C@H](NC(=O)c1nn(-c2cccc(F)c2F)c2c1CCC2)C(=O)[O-] ZINC001588797367 984229580 /nfs/dbraw/zinc/22/95/80/984229580.db2.gz DFWBYMWMMNLOAM-AWEZNQCLSA-N -1 0 389.402 3.179 20 30 GGEDRM C=CCCC[C@@H](NC(=O)c1cnnn1-c1cc(Cl)ccc1Cl)C(=O)[O-] ZINC001588797500 984230014 /nfs/dbraw/zinc/23/00/14/984230014.db2.gz GLDLIDNHEHZNOH-GFCCVEGCSA-N -1 0 383.235 3.113 20 30 GGEDRM C=CCCC[C@H](NC(=O)c1cnnn1-c1cc(Cl)ccc1Cl)C(=O)[O-] ZINC001588797501 984230113 /nfs/dbraw/zinc/23/01/13/984230113.db2.gz GLDLIDNHEHZNOH-LBPRGKRZSA-N -1 0 383.235 3.113 20 30 GGEDRM C=CCCC[C@@H](NC(=O)c1nn(-c2cc(C)ccc2F)c2c1CCC2)C(=O)[O-] ZINC001588798245 984234425 /nfs/dbraw/zinc/23/44/25/984234425.db2.gz YOAOBAMRRJUHTJ-MRXNPFEDSA-N -1 0 385.439 3.348 20 30 GGEDRM C=CCCC[C@H](NC(=O)c1nnn(-c2cccc(Cl)c2)c1CCC)C(=O)[O-] ZINC001588798248 984234471 /nfs/dbraw/zinc/23/44/71/984234471.db2.gz YOSBKWZHXHMJSF-HNNXBMFYSA-N -1 0 390.871 3.413 20 30 GGEDRM C=CCCC[C@@H](NS(=O)(=O)c1ccc(OC)c(-c2ccccc2)c1)C(=O)[O-] ZINC001588798421 984235994 /nfs/dbraw/zinc/23/59/94/984235994.db2.gz FDFPQGZHFXEXSG-GOSISDBHSA-N -1 0 389.473 3.450 20 30 GGEDRM C=CCCC[C@H](NS(=O)(=O)c1cc(-c2nc(C)co2)ccc1C)C(=O)[O-] ZINC001588798544 984236517 /nfs/dbraw/zinc/23/65/17/984236517.db2.gz JLTHTAGRTRWYMK-HNNXBMFYSA-N -1 0 378.450 3.046 20 30 GGEDRM C=CCCC[C@@H](NS(=O)(=O)c1cc(-c2nc(C)co2)ccc1C)C(=O)[O-] ZINC001588798545 984236789 /nfs/dbraw/zinc/23/67/89/984236789.db2.gz JLTHTAGRTRWYMK-OAHLLOKOSA-N -1 0 378.450 3.046 20 30 GGEDRM C=CCCC[C@@H](NS(=O)(=O)c1ccc2c(c1)c1ccccc1n2C)C(=O)[O-] ZINC001588798644 984237830 /nfs/dbraw/zinc/23/78/30/984237830.db2.gz MSINJRHVZWYPCI-QGZVFWFLSA-N -1 0 386.473 3.419 20 30 GGEDRM C=CCCC[C@H](NS(=O)(=O)c1ccc2c(c1)c1ccccc1n2C)C(=O)[O-] ZINC001588798643 984237876 /nfs/dbraw/zinc/23/78/76/984237876.db2.gz MSINJRHVZWYPCI-KRWDZBQOSA-N -1 0 386.473 3.419 20 30 GGEDRM C=CCCC[C@H](NS(=O)(=O)c1c(Cl)cccc1Br)C(=O)[O-] ZINC001588798824 984238954 /nfs/dbraw/zinc/23/89/54/984238954.db2.gz RZJNQFDLVCKZJE-NSHDSACASA-N -1 0 396.690 3.190 20 30 GGEDRM C=CCCCN(CC)S(=O)(=O)c1cc(Br)ccc1C(=O)[O-] ZINC001588801733 984246966 /nfs/dbraw/zinc/24/69/66/984246966.db2.gz XKOJYBMIKJGWSC-UHFFFAOYSA-N -1 0 376.272 3.124 20 30 GGEDRM CCNc1ccc(C#N)cc1NCC(=O)Nc1sc2c(c1C(=O)[O-])CCC2 ZINC001596501387 984255082 /nfs/dbraw/zinc/25/50/82/984255082.db2.gz SGXRCGSCBDNVMD-UHFFFAOYSA-N -1 0 384.461 3.289 20 30 GGEDRM C=CCCCn1c(COc2ccccc2F)nnc1N1CCC[C@H](C(=O)[O-])C1 ZINC001588805697 984255146 /nfs/dbraw/zinc/25/51/46/984255146.db2.gz LXUVGNLULXQOQF-HNNXBMFYSA-N -1 0 388.443 3.263 20 30 GGEDRM C=CCCCn1c(-c2ccc3ccccc3n2)nnc1N1CC[C@H](C(=O)[O-])C1 ZINC001588805779 984256154 /nfs/dbraw/zinc/25/61/54/984256154.db2.gz NWIDIXCNZOOAEX-INIZCTEOSA-N -1 0 377.448 3.370 20 30 GGEDRM C=CCCOCCn1c(Cc2ccccc2C)nnc1N1CCC[C@H](C(=O)[O-])C1 ZINC001588812860 984268545 /nfs/dbraw/zinc/26/85/45/984268545.db2.gz DZKOTJJPQWFLCH-IBGZPJMESA-N -1 0 398.507 3.071 20 30 GGEDRM C=CCCOCCNC(=O)Nc1nc(-c2ccccc2)c(CC(=O)[O-])s1 ZINC001588812844 984268710 /nfs/dbraw/zinc/26/87/10/984268710.db2.gz CNBCJLSLOKFJAY-UHFFFAOYSA-N -1 0 375.450 3.151 20 30 GGEDRM C=CCCc1ccc(S(=O)(=O)Oc2ccccc2[C@@H](OC)C(=O)[O-])cc1 ZINC001588814577 984271390 /nfs/dbraw/zinc/27/13/90/984271390.db2.gz FKVDHUPLPRGMEW-GOSISDBHSA-N -1 0 376.430 3.345 20 30 GGEDRM C=CCCc1ccc(S(=O)(=O)Oc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)cc1 ZINC001588814571 984271496 /nfs/dbraw/zinc/27/14/96/984271496.db2.gz DZJLKPBSELRKTO-UHFFFAOYSA-N -1 0 377.374 3.179 20 30 GGEDRM C=CCCc1ccc(S(=O)(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cc1 ZINC001588814801 984273451 /nfs/dbraw/zinc/27/34/51/984273451.db2.gz RGOSCPFGNLYIHP-FQEVSTJZSA-N -1 0 398.484 3.261 20 30 GGEDRM C=CCCn1cc(C(=O)Nc2c(OCc3ccccc3)cccc2C(=O)[O-])nn1 ZINC001588817638 984277193 /nfs/dbraw/zinc/27/71/93/984277193.db2.gz RQBZJICXSSNGMZ-UHFFFAOYSA-N -1 0 392.415 3.384 20 30 GGEDRM C=CCN(C(=O)c1ccc(/C=C/C(=O)[O-])o1)[C@H](Cc1ccccc1)C(=O)OCC ZINC001588820504 984285037 /nfs/dbraw/zinc/28/50/37/984285037.db2.gz GYHKFRRNAUNHJU-IYPOZPNPSA-N -1 0 397.427 3.180 20 30 GGEDRM C=CCN(C(=O)Nc1cc(C(=O)[O-])c(NC(C)=O)cc1Cl)[C@@H](C)COC ZINC001588820577 984285644 /nfs/dbraw/zinc/28/56/44/984285644.db2.gz LXIWELVOIOGGCN-JTQLQIEISA-N -1 0 383.832 3.051 20 30 GGEDRM C=CCN(C(=O)Nc1cc(C(=O)[O-])c(NC(C)=O)cc1Cl)[C@H](C)COC ZINC001588820578 984285797 /nfs/dbraw/zinc/28/57/97/984285797.db2.gz LXIWELVOIOGGCN-SNVBAGLBSA-N -1 0 383.832 3.051 20 30 GGEDRM C=CCN(C(=O)c1cc(C)c(C(=O)[O-])o1)[C@@H](Cc1ccccc1)C(=O)OCC ZINC001588820744 984286243 /nfs/dbraw/zinc/28/62/43/984286243.db2.gz QCXNQZRCKKYSPN-INIZCTEOSA-N -1 0 385.416 3.089 20 30 GGEDRM C=CCN(CCc1ccccc1)S(=O)(=O)c1cc(C(=O)[O-])c(C)cc1F ZINC001588828733 984309515 /nfs/dbraw/zinc/30/95/15/984309515.db2.gz LNHMWMVYIAQUGN-UHFFFAOYSA-N -1 0 377.437 3.252 20 30 GGEDRM C=CCN(Cc1ccc(Cl)s1)S(=O)(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001588829184 984312588 /nfs/dbraw/zinc/31/25/88/984312588.db2.gz HMWDJAKCXXXNLL-OLZOCXBDSA-N -1 0 377.915 3.363 20 30 GGEDRM C=CCN(Cc1cc(Br)ccc1F)C(=O)C12CC(C(=O)[O-])(C1)C2 ZINC001588829410 984314690 /nfs/dbraw/zinc/31/46/90/984314690.db2.gz ZWLVABDAUITIKX-UHFFFAOYSA-N -1 0 382.229 3.358 20 30 GGEDRM C=CCN1C(=O)N[C@@H](c2ccc(C(=O)[O-])c(F)c2)C(C(=O)OC(C)C)=C1C ZINC001588832094 984319523 /nfs/dbraw/zinc/31/95/23/984319523.db2.gz AKOAIDQPYBSHPD-INIZCTEOSA-N -1 0 376.384 3.002 20 30 GGEDRM C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCc1ccc(OC)c(C(=O)[O-])c1 ZINC001588832263 984320744 /nfs/dbraw/zinc/32/07/44/984320744.db2.gz AIMHNICPMAUFCA-UHFFFAOYSA-N -1 0 399.403 3.199 20 30 GGEDRM C=CCN(Cc1cccc(C#N)c1)C(=O)NCCc1ccc(C(=O)[O-])cc1OC ZINC001588832332 984321335 /nfs/dbraw/zinc/32/13/35/984321335.db2.gz DAGIQHVKZZOYLP-UHFFFAOYSA-N -1 0 393.443 3.205 20 30 GGEDRM C=CCN(c1ncc(C(=O)[O-])s1)S(=O)(=O)c1csc2ccccc21 ZINC001588832562 984323453 /nfs/dbraw/zinc/32/34/53/984323453.db2.gz RYYUBCUSNXKSSH-UHFFFAOYSA-N -1 0 380.472 3.437 20 30 GGEDRM C=CCN(Cc1cccc(C(=O)[O-])c1C#N)[C@H](Cc1ccccc1)C(=O)OCC ZINC001588832564 984323468 /nfs/dbraw/zinc/32/34/68/984323468.db2.gz JGMMHHVDJCVKNT-OAQYLSRUSA-N -1 0 392.455 3.419 20 30 GGEDRM C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC001588832539 984323628 /nfs/dbraw/zinc/32/36/28/984323628.db2.gz IXXUSAVCRHXNSN-UHFFFAOYSA-N -1 0 385.376 3.278 20 30 GGEDRM C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(Cl)c(C(=O)[O-])c3)cc2C1=O ZINC001588837116 984332453 /nfs/dbraw/zinc/33/24/53/984332453.db2.gz QUHFDSPCIGWFGK-UHFFFAOYSA-N -1 0 384.775 3.073 20 30 GGEDRM C=CCN1C(=O)N[C@H](c2cnn(Cc3ccccc3)c2Cl)C(C(=O)[O-])=C1C ZINC001588837181 984333067 /nfs/dbraw/zinc/33/30/67/984333067.db2.gz TYKGOQPRNCMFIH-MRXNPFEDSA-N -1 0 386.839 3.196 20 30 GGEDRM C=CCN1C(=O)c2ccc(C(=O)Oc3ccc(Cl)cc3C(=O)[O-])cc2C1=O ZINC001588837236 984333304 /nfs/dbraw/zinc/33/33/04/984333304.db2.gz WCIVISWKBDBAQQ-UHFFFAOYSA-N -1 0 385.759 3.039 20 30 GGEDRM CCOC(=O)[C@@H](Cc1cccc(Cl)c1)N[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC001596533690 984352343 /nfs/dbraw/zinc/35/23/43/984352343.db2.gz AABXNCYGRHNASK-MSOLQXFVSA-N -1 0 386.835 3.101 20 30 GGEDRM C=CCNC(=O)c1ccc(NCc2cccc(-c3nc(C(=O)[O-])cs3)c2)nc1 ZINC001588845518 984363308 /nfs/dbraw/zinc/36/33/08/984363308.db2.gz UFYIHKSBWZWBOB-UHFFFAOYSA-N -1 0 394.456 3.431 20 30 GGEDRM C=CCO[C@H]1CCN(C(=O)Nc2ccc(Br)c(C(=O)[O-])c2C)C1 ZINC001588849670 984373364 /nfs/dbraw/zinc/37/33/64/984373364.db2.gz DNSRCEBHLRWBTO-NSHDSACASA-N -1 0 383.242 3.265 20 30 GGEDRM C=CCO[C@H]1CCN(C(=O)Nc2ccc(Oc3ccnc(C(=O)[O-])c3)cc2)C1 ZINC001588849657 984373644 /nfs/dbraw/zinc/37/36/44/984373644.db2.gz DAACBJAZBHCBGT-KRWDZBQOSA-N -1 0 383.404 3.381 20 30 GGEDRM C=CCOC(=O)c1sc(NC(=O)C[C@@H](C)CC(=O)[O-])c(C(=O)OCC)c1C ZINC001588849961 984377168 /nfs/dbraw/zinc/37/71/68/984377168.db2.gz QSSZBRZGFOYMCE-SNVBAGLBSA-N -1 0 397.449 3.015 20 30 GGEDRM C=CCOC[C@H](NC(=O)/C=C\c1ccc(-c2ccc(F)cc2)s1)C(=O)[O-] ZINC001588854329 984390050 /nfs/dbraw/zinc/39/00/50/984390050.db2.gz WISUKHCTGJBDTQ-YHWKNFMLSA-N -1 0 375.421 3.339 20 30 GGEDRM C=CCOC[C@H](NC(=O)/C=C/c1ccc(-c2ccc(F)cc2)s1)C(=O)[O-] ZINC001588854326 984390244 /nfs/dbraw/zinc/39/02/44/984390244.db2.gz WISUKHCTGJBDTQ-DZZUKKPASA-N -1 0 375.421 3.339 20 30 GGEDRM C=CCOC[C@H](NC(=O)c1c(C)onc1-c1ccc(Cl)cc1Cl)C(=O)[O-] ZINC001588856566 984401448 /nfs/dbraw/zinc/40/14/48/984401448.db2.gz MNKOWYGMDMVJLV-ZDUSSCGKSA-N -1 0 399.230 3.342 20 30 GGEDRM C=CCOC[C@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc21)C(=O)[O-] ZINC001588859147 984403351 /nfs/dbraw/zinc/40/33/51/984403351.db2.gz AZHURDDPHKTKJW-FQEVSTJZSA-N -1 0 376.412 3.287 20 30 GGEDRM C=CCOC[C@H](NC(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C)C(=O)[O-] ZINC001588859385 984405423 /nfs/dbraw/zinc/40/54/23/984405423.db2.gz JWUNZJZHHZHGAU-KRWDZBQOSA-N -1 0 376.840 3.133 20 30 GGEDRM C=CCOC[C@H](NC(=O)c1ccc(-c2cccc3cccnc32)cc1)C(=O)[O-] ZINC001588859659 984407652 /nfs/dbraw/zinc/40/76/52/984407652.db2.gz SDOSHNPHCPQIPH-IBGZPJMESA-N -1 0 376.412 3.287 20 30 GGEDRM C=CCOC[C@@H](NC(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)o1)C(=O)[O-] ZINC001588859839 984408590 /nfs/dbraw/zinc/40/85/90/984408590.db2.gz YQCOVVXCYQKMMS-CYBMUJFWSA-N -1 0 383.322 3.351 20 30 GGEDRM C=CCOC[C@H](NC(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)o1)C(=O)[O-] ZINC001588859840 984408749 /nfs/dbraw/zinc/40/87/49/984408749.db2.gz YQCOVVXCYQKMMS-ZDUSSCGKSA-N -1 0 383.322 3.351 20 30 GGEDRM C=CCOC[C@H](NC(=O)c1csc(-c2cccc3ccccc32)n1)C(=O)[O-] ZINC001588860137 984410701 /nfs/dbraw/zinc/41/07/01/984410701.db2.gz KDDBVWSFUPDUKR-INIZCTEOSA-N -1 0 382.441 3.349 20 30 GGEDRM C=CCOC[C@@H](NC(=O)c1sc2ccccc2c1Br)C(=O)[O-] ZINC001588860156 984411265 /nfs/dbraw/zinc/41/12/65/984411265.db2.gz KNAJELLVXVTXQI-SNVBAGLBSA-N -1 0 384.251 3.049 20 30 GGEDRM C=CCOC[C@H](NC(=O)c1sc(C(C)(C)c2ccccc2)nc1C)C(=O)[O-] ZINC001588860255 984411608 /nfs/dbraw/zinc/41/16/08/984411608.db2.gz NZMIIQCZIFAPTC-HNNXBMFYSA-N -1 0 388.489 3.163 20 30 GGEDRM C=CCOC[C@@H](NC(=O)c1oc2c(cc(Br)cc2C)c1C)C(=O)[O-] ZINC001588860557 984413641 /nfs/dbraw/zinc/41/36/41/984413641.db2.gz YLRVPPGCPHJAER-CYBMUJFWSA-N -1 0 396.237 3.198 20 30 GGEDRM C=CCOC[C@H](NC(=O)c1ccc(C)c(NC(=O)Nc2ccccc2)c1)C(=O)[O-] ZINC001588861316 984414974 /nfs/dbraw/zinc/41/49/74/984414974.db2.gz DZBIWFWZKHCRJA-SFHVURJKSA-N -1 0 397.431 3.025 20 30 GGEDRM C=CCOC[C@H](NC(=O)c1ccc(Oc2ccc(F)c(F)c2)cc1)C(=O)[O-] ZINC001588861383 984415370 /nfs/dbraw/zinc/41/53/70/984415370.db2.gz HNBHFIISVIXERS-KRWDZBQOSA-N -1 0 377.343 3.143 20 30 GGEDRM C=CCOC[C@H](NC(=O)c1ccccc1SCc1cccs1)C(=O)[O-] ZINC001588861666 984415950 /nfs/dbraw/zinc/41/59/50/984415950.db2.gz JGPVMOPSXOMACQ-HNNXBMFYSA-N -1 0 377.487 3.426 20 30 GGEDRM C=CCOc1cc(OC)ccc1C(=O)N1CCc2c(C(=O)[O-])ccc(OC)c2C1 ZINC001588869458 984438863 /nfs/dbraw/zinc/43/88/63/984438863.db2.gz BPRUBPHNACMBNP-UHFFFAOYSA-N -1 0 397.427 3.165 20 30 GGEDRM C=CCOc1ccc(Br)cc1NC(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC001588869460 984438891 /nfs/dbraw/zinc/43/88/91/984438891.db2.gz BURSCHALOTVCOY-ZYHUDNBSSA-N -1 0 383.242 3.198 20 30 GGEDRM C=CCOc1cc(OC)ccc1C(=O)N[C@H](C)c1ccc(OCC(=O)[O-])cc1 ZINC001588869585 984439868 /nfs/dbraw/zinc/43/98/68/984439868.db2.gz NGJZECADKBMTHD-CQSZACIVSA-N -1 0 385.416 3.214 20 30 GGEDRM C=CCOc1ccc(Cn2c(C3CCC3)nnc2N2CCC[C@H](C(=O)[O-])C2)cc1 ZINC001588872819 984442818 /nfs/dbraw/zinc/44/28/18/984442818.db2.gz LQTLBFWZBNFOTK-SFHVURJKSA-N -1 0 396.491 3.460 20 30 GGEDRM C=CCOc1cccc(NC(=O)C(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)c1 ZINC001588872974 984443695 /nfs/dbraw/zinc/44/36/95/984443695.db2.gz WQRHEYIDKYGIRR-CQSZACIVSA-N -1 0 382.416 3.092 20 30 GGEDRM C=CCOc1ccc(CC(=O)N[C@H](Cc2cc3ccccc3o2)C(=O)[O-])cc1 ZINC001588873442 984444102 /nfs/dbraw/zinc/44/41/02/984444102.db2.gz AJZATUSGFPPRON-LJQANCHMSA-N -1 0 379.412 3.352 20 30 GGEDRM C=CCOc1ccc(CNC(=O)N[C@@H]2CCSC3(CC(C(=O)[O-])C3)C2)cc1 ZINC001588873501 984444250 /nfs/dbraw/zinc/44/42/50/984444250.db2.gz BPRDJEAUNWAGTB-LFDOHDQPSA-N -1 0 390.505 3.180 20 30 GGEDRM C=CCOc1ccc(CNC(=O)Nc2ccc(C(=O)OC)c(C(=O)[O-])c2)cc1 ZINC001588873865 984446549 /nfs/dbraw/zinc/44/65/49/984446549.db2.gz NUVZBUNYEUHGHR-UHFFFAOYSA-N -1 0 384.388 3.058 20 30 GGEDRM C=CCOc1ccc(CC(=O)N[C@@H](C(=O)[O-])c2ccc(OC)c(Cl)c2)cc1 ZINC001588873978 984447096 /nfs/dbraw/zinc/44/70/96/984447096.db2.gz QAOZBWWUUCNTSD-LJQANCHMSA-N -1 0 389.835 3.398 20 30 GGEDRM C=CCOc1ccc(CC(=O)Nc2cc3c(cc2C(=O)[O-])OCCCO3)cc1 ZINC001588874068 984447581 /nfs/dbraw/zinc/44/75/81/984447581.db2.gz USQCFPGNNKPOTP-UHFFFAOYSA-N -1 0 383.400 3.292 20 30 GGEDRM C=CCOc1ccc(/C=C\C(=O)NC[C@@H](C(=O)[O-])c2ccc(F)cc2)cc1OC ZINC001588874847 984449413 /nfs/dbraw/zinc/44/94/13/984449413.db2.gz JDPNZZBFLKHBRM-RKMNRJFLSA-N -1 0 399.418 3.397 20 30 GGEDRM C=CCOc1ccc(/C=C/C(=O)NC[C@H](C(=O)[O-])c2ccc(F)cc2)cc1OC ZINC001588874845 984449518 /nfs/dbraw/zinc/44/95/18/984449518.db2.gz JDPNZZBFLKHBRM-CZIMKVFHSA-N -1 0 399.418 3.397 20 30 GGEDRM C=CCOc1ccc(/C=C/C(=O)NC[C@@H](C(=O)[O-])c2ccc(F)cc2)cc1OC ZINC001588874846 984449604 /nfs/dbraw/zinc/44/96/04/984449604.db2.gz JDPNZZBFLKHBRM-HNDWGLKSSA-N -1 0 399.418 3.397 20 30 GGEDRM C=CCOc1ccc(/C=C/C(=O)N[C@H](C)c2ncc(C(=O)[O-])s2)cc1OC ZINC001588875027 984450468 /nfs/dbraw/zinc/45/04/68/984450468.db2.gz RAOVVHBTHNNBBT-WAFBPQNNSA-N -1 0 388.445 3.305 20 30 GGEDRM C=CCOc1ccc(/C=C\C(=O)N(CCC(F)(F)F)CC(=O)[O-])cc1OC ZINC001588875052 984450576 /nfs/dbraw/zinc/45/05/76/984450576.db2.gz SCUHJKWIZRXSSX-ALCCZGGFSA-N -1 0 387.354 3.139 20 30 GGEDRM C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21 ZINC001588875174 984451652 /nfs/dbraw/zinc/45/16/52/984451652.db2.gz ZXDBTERRKRTNGG-OICBVUGWSA-N -1 0 383.366 3.499 20 30 GGEDRM C=CCOc1ccccc1Cn1c(C2CCCC2)nnc1N1CC[C@H](C(=O)[O-])C1 ZINC001588877415 984453386 /nfs/dbraw/zinc/45/33/86/984453386.db2.gz NWFOVPDWBCWYGF-SFHVURJKSA-N -1 0 396.491 3.460 20 30 GGEDRM C=CCOc1cccnc1C(=O)OCc1cc(Br)ccc1C(=O)[O-] ZINC001588879127 984456843 /nfs/dbraw/zinc/45/68/43/984456843.db2.gz SOWITYHWSXLEDB-UHFFFAOYSA-N -1 0 392.205 3.464 20 30 GGEDRM C=CCSc1ccccc1C(=O)Nc1cc(C(=O)[O-])cc(S(C)(=O)=O)c1 ZINC001588879857 984459428 /nfs/dbraw/zinc/45/94/28/984459428.db2.gz URVSEHQRBAFSHG-UHFFFAOYSA-N -1 0 391.470 3.319 20 30 GGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)[C@H]1Oc2ccccc2O[C@@H]1C ZINC001588881576 984460610 /nfs/dbraw/zinc/46/06/10/984460610.db2.gz APPYMASTIXXMHO-XIKOKIGWSA-N -1 0 384.384 3.256 20 30 GGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)[C@H]1CC(=O)N(C)c2ccccc21 ZINC001588881649 984461043 /nfs/dbraw/zinc/46/10/43/984461043.db2.gz DJTRFKDIZSNXQB-INIZCTEOSA-N -1 0 395.411 3.178 20 30 GGEDRM C=CCc1cc(C(=O)N(C)[C@@H](C(=O)[O-])c2cccc(OC)c2)cc(OC)c1OC ZINC001588881805 984461105 /nfs/dbraw/zinc/46/11/05/984461105.db2.gz FBGABMSOEFMDDD-LJQANCHMSA-N -1 0 399.443 3.339 20 30 GGEDRM C=CCc1cc(C(=O)N2CCc3cc(C(=O)[O-])ccc3C2)cc(OC)c1OC ZINC001588882546 984464089 /nfs/dbraw/zinc/46/40/89/984464089.db2.gz YAMBPLARJQINPU-UHFFFAOYSA-N -1 0 381.428 3.329 20 30 GGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)c1ccc(N2CCCC2=O)cc1 ZINC001588884770 984464097 /nfs/dbraw/zinc/46/40/97/984464097.db2.gz ANRSMRHIZRRWTJ-UHFFFAOYSA-N -1 0 395.411 3.468 20 30 GGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)c1cncc(OCC(F)F)c1 ZINC001588884924 984464534 /nfs/dbraw/zinc/46/45/34/984464534.db2.gz HSRCZIZICOKJDV-UHFFFAOYSA-N -1 0 393.342 3.380 20 30 GGEDRM C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC001588884908 984464631 /nfs/dbraw/zinc/46/46/31/984464631.db2.gz HJCSKNLDMHELAO-UHFFFAOYSA-N -1 0 398.411 3.447 20 30 GGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)c1cccn(CC(C)C)c1=O ZINC001588885105 984465799 /nfs/dbraw/zinc/46/57/99/984465799.db2.gz LSZFBZNMRRPXPU-UHFFFAOYSA-N -1 0 385.416 3.159 20 30 GGEDRM C=CCc1cc(CNC(=O)CC2(CC(=O)[O-])CCCC2)cc(OC)c1OC ZINC001588885170 984466669 /nfs/dbraw/zinc/46/66/69/984466669.db2.gz DNYHRRDQWWZVST-UHFFFAOYSA-N -1 0 375.465 3.474 20 30 GGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)Cn1nc(C(F)(F)F)cc1C ZINC001588885265 984466979 /nfs/dbraw/zinc/46/69/79/984466979.db2.gz NOKLWPZTKHPDKD-UHFFFAOYSA-N -1 0 398.337 3.251 20 30 GGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)c1cc(OCC(F)F)ccn1 ZINC001588885350 984467011 /nfs/dbraw/zinc/46/70/11/984467011.db2.gz PRXMHOQJXUXFHJ-UHFFFAOYSA-N -1 0 393.342 3.380 20 30 GGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)c1cccc(NC(=O)NC)c1 ZINC001588885267 984467031 /nfs/dbraw/zinc/46/70/31/984467031.db2.gz NOMGNIQSJXGOSN-UHFFFAOYSA-N -1 0 384.388 3.092 20 30 GGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)c1cnn(CC(F)(F)F)c1 ZINC001588885346 984467084 /nfs/dbraw/zinc/46/70/84/984467084.db2.gz POUVTAUEGAEPLC-UHFFFAOYSA-N -1 0 384.310 3.100 20 30 GGEDRM C=CCc1ccc(OCC(=O)NC2(CCC(=O)[O-])CCCCC2)c(OC)c1 ZINC001588885743 984469370 /nfs/dbraw/zinc/46/93/70/984469370.db2.gz UOOMUHLZQBPJID-UHFFFAOYSA-N -1 0 375.465 3.486 20 30 GGEDRM C=CCc1cc([C@@H]2NC(=O)N(CC3CC3)C(CC)=C2C(=O)[O-])cc(OC)c1O ZINC001588885875 984470351 /nfs/dbraw/zinc/47/03/51/984470351.db2.gz XQGITLBHCQSCGF-SFHVURJKSA-N -1 0 386.448 3.354 20 30 GGEDRM C=CCc1cccc(C(C)C)c1NC(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001588887002 984474724 /nfs/dbraw/zinc/47/47/24/984474724.db2.gz XKDDXOKTJOTATA-OAHLLOKOSA-N -1 0 383.452 3.307 20 30 GGEDRM C=CCn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC001588888806 984475721 /nfs/dbraw/zinc/47/57/21/984475721.db2.gz DYFRZKDZJNJTPG-UHFFFAOYSA-N -1 0 377.404 3.239 20 30 GGEDRM C=CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@](C)(C(=O)[O-])C1 ZINC001588888860 984476339 /nfs/dbraw/zinc/47/63/39/984476339.db2.gz GUNWATZOZPMGDH-SFHVURJKSA-N -1 0 376.844 3.094 20 30 GGEDRM C=CCn1c(-c2ccc(OC)cc2)nnc1N1CCc2ccc(C(=O)[O-])cc2C1 ZINC001588889085 984477815 /nfs/dbraw/zinc/47/78/15/984477815.db2.gz LCBMBBLWEVGLAY-UHFFFAOYSA-N -1 0 390.443 3.401 20 30 GGEDRM C=CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC001588889102 984477818 /nfs/dbraw/zinc/47/78/18/984477818.db2.gz LPQFWKFMYWZYCB-KRWDZBQOSA-N -1 0 379.464 3.330 20 30 GGEDRM C=CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@H](C(=O)[O-])C1 ZINC001588889463 984480068 /nfs/dbraw/zinc/48/00/68/984480068.db2.gz VWELGPFSYIDWJI-ZDUSSCGKSA-N -1 0 378.379 3.034 20 30 GGEDRM C=CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC001588889561 984480075 /nfs/dbraw/zinc/48/00/75/984480075.db2.gz XLXREUJTNFMBOI-HNNXBMFYSA-N -1 0 399.451 3.367 20 30 GGEDRM C=CCn1c(-c2ccc(Br)cc2)nnc1N1CCC[C@@H](C(=O)[O-])C1 ZINC001588889494 984480115 /nfs/dbraw/zinc/48/01/15/984480115.db2.gz WRKKRCNUGQZFBE-CYBMUJFWSA-N -1 0 391.269 3.195 20 30 GGEDRM C=CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC001588889471 984480150 /nfs/dbraw/zinc/48/01/50/984480150.db2.gz WFMJSRMSCXDNCV-HNNXBMFYSA-N -1 0 398.463 3.187 20 30 GGEDRM C=CCn1c(-c2ccc(C)cc2)nnc1N1CCc2ccc(C(=O)[O-])nc2C1 ZINC001588889654 984480627 /nfs/dbraw/zinc/48/06/27/984480627.db2.gz ZTJJTSYUPMLCJL-UHFFFAOYSA-N -1 0 375.432 3.095 20 30 GGEDRM C=CCn1c(-c2ccc[nH]2)nnc1N1CCC(Nc2cccc(C(=O)[O-])c2)CC1 ZINC001588889580 984480663 /nfs/dbraw/zinc/48/06/63/984480663.db2.gz YBJULXDGSQUNFF-UHFFFAOYSA-N -1 0 392.463 3.238 20 30 GGEDRM C=CCn1c(-c2ccccc2OC)nnc1N1CCc2ccc(C(=O)[O-])cc2C1 ZINC001588890078 984483647 /nfs/dbraw/zinc/48/36/47/984483647.db2.gz NOAPBGFALGPBCV-UHFFFAOYSA-N -1 0 390.443 3.401 20 30 GGEDRM C=CCn1c(-c2oc(C3CC3)nc2C)nnc1N1CCC[C@H](CCC(=O)[O-])C1 ZINC001588891060 984486445 /nfs/dbraw/zinc/48/64/45/984486445.db2.gz CHCKEXCFWIOQBG-CQSZACIVSA-N -1 0 385.468 3.386 20 30 GGEDRM C=CCn1c([C@@H](OC)C2CCCC2)nnc1N1CCC(CCC(=O)[O-])CC1 ZINC001588895996 984497957 /nfs/dbraw/zinc/49/79/57/984497957.db2.gz PITQMGKPKIFTHC-SFHVURJKSA-N -1 0 376.501 3.423 20 30 GGEDRM C=CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@](F)(C(=O)[O-])C1 ZINC001588896273 984500323 /nfs/dbraw/zinc/50/03/23/984500323.db2.gz REXRBBNQTLIVNN-YWZLYKJASA-N -1 0 388.443 3.224 20 30 GGEDRM C=CCn1c([C@@H]2C[C@@H]2OC(C)(C)C)nnc1N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001588896414 984501436 /nfs/dbraw/zinc/50/14/36/984501436.db2.gz ISPRHAPBAJFOPY-XHSDSOJGSA-N -1 0 376.501 3.216 20 30 GGEDRM C=CCn1c([C@H](O)CC(C)(C)C)nnc1N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC001588897191 984507965 /nfs/dbraw/zinc/50/79/65/984507965.db2.gz XUHMUFQDEVBXRA-HUUCEWRRSA-N -1 0 378.517 3.261 20 30 GGEDRM C=CCn1c(C2CCSCC2)nnc1N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC001588897237 984508907 /nfs/dbraw/zinc/50/89/07/984508907.db2.gz IVLTXUYQYXLGJW-HNNXBMFYSA-N -1 0 378.542 3.402 20 30 GGEDRM C=CCn1c([C@@H]2CC(C)=NN=C2C)nnc1N(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC001588897318 984509418 /nfs/dbraw/zinc/50/94/18/984509418.db2.gz 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ZINC001599812746 988365624 /nfs/dbraw/zinc/36/56/24/988365624.db2.gz CLMLZZHPASWJJA-UHFFFAOYSA-N -1 0 381.457 3.246 20 30 GGEDRM CSc1ccc(CNC(=O)N2CCC[C@H](C(C)(C)C(=O)[O-])C2)cc1C#N ZINC001599813063 988372146 /nfs/dbraw/zinc/37/21/46/988372146.db2.gz KRSFPGIKBDDSHD-HNNXBMFYSA-N -1 0 375.494 3.313 20 30 GGEDRM CSc1ccc(CNC(=O)N2C[C@@H](C(=O)[O-])[C@@H](c3ccccc3)C2)cc1C#N ZINC001599813275 988375845 /nfs/dbraw/zinc/37/58/45/988375845.db2.gz NSWANAUCTDYEKI-QZTJIDSGSA-N -1 0 395.484 3.290 20 30 GGEDRM CSc1ccc(CNC(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)cc1C#N ZINC001599813279 988376097 /nfs/dbraw/zinc/37/60/97/988376097.db2.gz NSWANAUCTDYEKI-ZWKOTPCHSA-N -1 0 395.484 3.290 20 30 GGEDRM CSc1ccc(CNC(=O)N2CCc3cc(C(=O)[O-])ccc3C2)cc1C#N ZINC001599813336 988377039 /nfs/dbraw/zinc/37/70/39/988377039.db2.gz PJQBEZNCQBYBEC-UHFFFAOYSA-N -1 0 381.457 3.246 20 30 GGEDRM CC(C)(C)OC(=O)CNC(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC001589889675 988568028 /nfs/dbraw/zinc/56/80/28/988568028.db2.gz 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CCc1oc(C(=O)[O-])cc1S(=O)(=O)N(Cc1ccc(C#N)cc1)CC(C)C ZINC001597779052 989266084 /nfs/dbraw/zinc/26/60/84/989266084.db2.gz ZTSKCHXOQIGLQI-UHFFFAOYSA-N -1 0 390.461 3.259 20 30 GGEDRM CC(C)(C)OC(=O)N[C@@H](CCC(=O)N(CC#N)CC(=O)[O-])CC1CCCCC1 ZINC001590117372 989322084 /nfs/dbraw/zinc/32/20/84/989322084.db2.gz QDGPTYWRZGGMTO-INIZCTEOSA-N -1 0 395.500 3.067 20 30 GGEDRM CCc1oc(CN=Nc2ncnc3c2cnn3-c2ccccc2)cc1C(=O)[O-] ZINC001597793072 989341324 /nfs/dbraw/zinc/34/13/24/989341324.db2.gz TVEKXYMTTGIEET-UHFFFAOYSA-N -1 0 376.376 3.115 20 30 GGEDRM CC(C)(C)OC(=O)N[C@@H](CCC(=O)[O-])C(=O)[C@@H](C#N)c1nccc2ccccc21 ZINC001590120190 989343086 /nfs/dbraw/zinc/34/30/86/989343086.db2.gz ZQXIFNDBVNPRPF-HOTGVXAUSA-N -1 0 397.431 3.169 20 30 GGEDRM CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N[C@@H](CC1CCCCC1)C(=O)[O-] ZINC001590124038 989345420 /nfs/dbraw/zinc/34/54/20/989345420.db2.gz CXORSDKEWJKFFP-HOTGVXAUSA-N -1 0 395.500 3.113 20 30 GGEDRM CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N[C@H](CC(=O)[O-])C1CCCC1 ZINC001590124150 989346134 /nfs/dbraw/zinc/34/61/34/989346134.db2.gz GSSXLMYNNLVVAD-HZPDHXFCSA-N -1 0 395.500 3.113 20 30 GGEDRM CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC001590124271 989348363 /nfs/dbraw/zinc/34/83/63/989348363.db2.gz JPWPZJISFLMNTK-OAHLLOKOSA-N -1 0 393.415 3.440 20 30 GGEDRM CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)NCc1ccc(C(=O)[O-])s1 ZINC001590124328 989349651 /nfs/dbraw/zinc/34/96/51/989349651.db2.gz KUVRBODQTRKMRN-CYBMUJFWSA-N -1 0 395.481 3.040 20 30 GGEDRM CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)NCC1(CC(=O)[O-])CCCCC1 ZINC001590124324 989349847 /nfs/dbraw/zinc/34/98/47/989349847.db2.gz KTXVDPYRHVOGJX-HNNXBMFYSA-N -1 0 395.500 3.115 20 30 GGEDRM CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)Nc1cc(F)cc(C(=O)[O-])c1F ZINC001590124566 989351806 /nfs/dbraw/zinc/35/18/06/989351806.db2.gz ONLXOJDGWAJTOJ-GFCCVEGCSA-N -1 0 397.378 3.189 20 30 GGEDRM CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)Nc1cc(F)cc(C(=O)[O-])c1F ZINC001590124567 989352012 /nfs/dbraw/zinc/35/20/12/989352012.db2.gz 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ZINC001590461866 990031804 /nfs/dbraw/zinc/03/18/04/990031804.db2.gz LTKUALWNZAJFSL-UHFFFAOYSA-N -1 0 381.436 3.170 20 30 GGEDRM CN(C(=O)C#Cc1ccc(C(F)(F)F)cc1)c1ccc(OCC(=O)[O-])cc1 ZINC001597981635 990046879 /nfs/dbraw/zinc/04/68/79/990046879.db2.gz DYXMGLDNRZHGKU-UHFFFAOYSA-N -1 0 377.318 3.183 20 30 GGEDRM CN(C(=O)C#Cc1cccs1)[C@@H](C(=O)[O-])c1ccc(Br)s1 ZINC001597983124 990057106 /nfs/dbraw/zinc/05/71/06/990057106.db2.gz WDABYXUJWOOUPU-CYBMUJFWSA-N -1 0 384.276 3.208 20 30 GGEDRM CC(C)(C)c1ccc([C@@H]2NC(=S)NC(C(=O)[O-])=C2C(=O)c2ccco2)cc1 ZINC001590480520 990066310 /nfs/dbraw/zinc/06/63/10/990066310.db2.gz WADKUXKNUSALJR-HNNXBMFYSA-N -1 0 384.457 3.318 20 30 GGEDRM CC(C)(C)n1cc(C#N)cc1NC(=O)c1cc(C(=O)[O-])nn1-c1ccccc1 ZINC001590587779 990237605 /nfs/dbraw/zinc/23/76/05/990237605.db2.gz ZYXFNGKKLBVQOV-UHFFFAOYSA-N -1 0 377.404 3.251 20 30 GGEDRM CC(C)(CC#N)c1nnc(N2CCC(C(=O)[O-])CC2)n1CCc1ccccc1 ZINC001590616964 990295468 /nfs/dbraw/zinc/29/54/68/990295468.db2.gz 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CC(C)(Cc1ccccc1Cl)NS(=O)(=O)c1ccc(C#N)cc1C(=O)[O-] ZINC001590827322 990674358 /nfs/dbraw/zinc/67/43/58/990674358.db2.gz OLLSDAYOTWSPQG-UHFFFAOYSA-N -1 0 392.864 3.209 20 30 GGEDRM CC(C)(NC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)c1cc(C(=O)[O-])on1 ZINC001590856060 990744865 /nfs/dbraw/zinc/74/48/65/990744865.db2.gz YXBDMHAWFGUBNS-UHFFFAOYSA-N -1 0 398.297 3.200 20 30 GGEDRM CC(C)(NC(=O)c1ccc(COc2ccccc2C#N)o1)c1nocc1C(=O)[O-] ZINC001590861457 990752567 /nfs/dbraw/zinc/75/25/67/990752567.db2.gz FZFNGULONQUIAI-UHFFFAOYSA-N -1 0 395.371 3.082 20 30 GGEDRM CC(C)(Oc1ccc(C#N)cc1)C(=O)NCc1ccc(OCCCC(=O)[O-])cc1 ZINC001590904379 990866056 /nfs/dbraw/zinc/86/60/56/990866056.db2.gz GKYACUCDGRITKK-UHFFFAOYSA-N -1 0 396.443 3.276 20 30 GGEDRM COc1ccccc1-c1nnc(S[C@@H](C(=O)[O-])c2ccc(C#N)cc2)n1C ZINC001599694925 991133935 /nfs/dbraw/zinc/13/39/35/991133935.db2.gz QPNVQSAALFIRPO-MRXNPFEDSA-N -1 0 380.429 3.280 20 30 GGEDRM COc1ccccc1-c1nnc(S[C@H](C(=O)[O-])c2ccc(C#N)cc2)n1C ZINC001599694924 991134230 /nfs/dbraw/zinc/13/42/30/991134230.db2.gz QPNVQSAALFIRPO-INIZCTEOSA-N -1 0 380.429 3.280 20 30 GGEDRM CN(C)c1cc(C#N)cc(C(=O)N(CCC(=O)[O-])Cc2ccc(F)c(F)c2)c1 ZINC001598287341 991187264 /nfs/dbraw/zinc/18/72/64/991187264.db2.gz GGUMVKPLTPEZQR-UHFFFAOYSA-N -1 0 387.386 3.020 20 30 GGEDRM CN(C)c1cc(C#N)cc(C(=O)Oc2cc(Br)cc(C(=O)[O-])c2)c1 ZINC001598287577 991190272 /nfs/dbraw/zinc/19/02/72/991190272.db2.gz IQNVFEXKNKCBCH-UHFFFAOYSA-N -1 0 389.205 3.304 20 30 GGEDRM CN(C)c1cc(C#N)cc(C(=O)OCc2coc(-c3ccc(C(=O)[O-])cc3)n2)c1 ZINC001598288146 991194204 /nfs/dbraw/zinc/19/42/04/991194204.db2.gz RSUBRLILDLGGKE-UHFFFAOYSA-N -1 0 391.383 3.334 20 30 GGEDRM CC(C)[C@H](CNS(=O)(=O)c1ccc(C#N)cc1C(=O)[O-])Cc1ccccc1 ZINC001590989743 991203316 /nfs/dbraw/zinc/20/33/16/991203316.db2.gz PTQDDMRHGXYBEW-KRWDZBQOSA-N -1 0 386.473 3.050 20 30 GGEDRM CN(C)c1cc(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)c2ccccc2n1 ZINC001598300992 991251048 /nfs/dbraw/zinc/25/10/48/991251048.db2.gz ISOXYIPVUYJMIA-IBGZPJMESA-N -1 0 375.384 3.155 20 30 GGEDRM CN(C)c1ccc(OCC(=O)Nc2ccccc2SCC#N)cc1C(=O)[O-] ZINC001598328602 991353015 /nfs/dbraw/zinc/35/30/15/991353015.db2.gz UXEPSYUBSYTRTR-UHFFFAOYSA-N -1 0 385.445 3.084 20 30 GGEDRM COc1ccccc1N(CCC#N)C(=O)[C@H](C)Sc1ncc(C(=O)[O-])s1 ZINC001599713136 991405889 /nfs/dbraw/zinc/40/58/89/991405889.db2.gz RMJCGGIOQVMUOZ-NSHDSACASA-N -1 0 391.474 3.277 20 30 GGEDRM CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CCc2c(F)ccc(C(=O)[O-])c2C1 ZINC001591051445 991451491 /nfs/dbraw/zinc/45/14/91/991451491.db2.gz CGNXYTPAJGFVGO-HXUWFJFHSA-N -1 0 396.418 3.384 20 30 GGEDRM CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CCc2c(cccc2C(=O)[O-])C1 ZINC001591052916 991463310 /nfs/dbraw/zinc/46/33/10/991463310.db2.gz YDAADEHFISWCGT-FQEVSTJZSA-N -1 0 378.428 3.245 20 30 GGEDRM CN(C1(Cc2ccccc2)CCCC1)S(=O)(=O)c1ccc(C#N)cc1C(=O)[O-] ZINC001598370969 991539581 /nfs/dbraw/zinc/53/95/81/991539581.db2.gz MHMBPMQZBPTPDV-UHFFFAOYSA-N -1 0 398.484 3.432 20 30 GGEDRM CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccc(C(=O)[O-])nc1C#N ZINC001598397645 991674524 /nfs/dbraw/zinc/67/45/24/991674524.db2.gz KWHBVKAQKYOTRK-UHFFFAOYSA-N -1 0 379.203 3.033 20 30 GGEDRM CC(C)[C@@H]1CCc2ccccc2[C@@H]1NS(=O)(=O)c1ccc(C#N)cc1C(=O)[O-] ZINC001591094648 991675807 /nfs/dbraw/zinc/67/58/07/991675807.db2.gz OPGBCIZDXUTTMA-OXJNMPFZSA-N -1 0 398.484 3.494 20 30 GGEDRM CC(C)[C@@H]1CCc2nc(NC(=O)N3CCC(C#N)(C(=O)[O-])CC3)sc2C1 ZINC001591095450 991681370 /nfs/dbraw/zinc/68/13/70/991681370.db2.gz VUHDQMNFKMJTIW-GFCCVEGCSA-N -1 0 376.482 3.126 20 30 GGEDRM COc1ncc(NC(=O)N[C@@H](CC(=O)[O-])c2ccc(SC)cc2)cc1C#N ZINC001599734887 991760284 /nfs/dbraw/zinc/76/02/84/991760284.db2.gz XKNSOWNVAAWVIS-HNNXBMFYSA-N -1 0 386.433 3.021 20 30 GGEDRM CN(C[C@H](O)c1cccc(C#N)c1)C(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001598435863 991821438 /nfs/dbraw/zinc/82/14/38/991821438.db2.gz ADFFWNTUMGYACA-HNNXBMFYSA-N -1 0 391.786 3.246 20 30 GGEDRM CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)Nc1cccc(SCCC(=O)[O-])c1 ZINC001598437620 991849463 /nfs/dbraw/zinc/84/94/63/991849463.db2.gz 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CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)NC[C@H](F)C(=O)[O-] ZINC001598506413 992507396 /nfs/dbraw/zinc/50/73/96/992507396.db2.gz AOZQXBHJYWQPON-JTQLQIEISA-N -1 0 390.255 3.288 20 30 GGEDRM CN(Cc1ccc(C#N)cc1)S(=O)(=O)c1cc2ccccc2cc1C(=O)[O-] ZINC001598509231 992547405 /nfs/dbraw/zinc/54/74/05/992547405.db2.gz JTYDKMBLGRNXMA-UHFFFAOYSA-N -1 0 380.425 3.230 20 30 GGEDRM CN(Cc1ccc(C#N)cc1)S(=O)(=O)c1cc(C(=O)[O-])cc(C(F)(F)F)c1 ZINC001598509382 992550391 /nfs/dbraw/zinc/55/03/91/992550391.db2.gz VGPUIYYBUXVQBU-UHFFFAOYSA-N -1 0 398.362 3.096 20 30 GGEDRM CN(Cc1ccc(C(C)(C)C)cc1)S(=O)(=O)c1ccc(C#N)cc1C(=O)[O-] ZINC001598516908 992627236 /nfs/dbraw/zinc/62/72/36/992627236.db2.gz UIZMKXAMCXUMKJ-UHFFFAOYSA-N -1 0 386.473 3.375 20 30 GGEDRM CC(C)Cn1cc(C(=O)OCc2cccc(C(=O)[O-])c2C#N)c(C(F)F)n1 ZINC001591523969 992699298 /nfs/dbraw/zinc/69/92/98/992699298.db2.gz XSLRNDKEMDYPJN-UHFFFAOYSA-N -1 0 377.347 3.404 20 30 GGEDRM CN(Cc1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(C#N)cc1C(=O)[O-] ZINC001598527963 992744525 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KLHLHANLGVAULN-UHFFFAOYSA-N -1 0 389.410 3.247 20 30 GGEDRM COc1ccc(OS(=O)(=O)c2cccc3c(C(=O)[O-])cccc32)cc1C#N ZINC001599606966 993898622 /nfs/dbraw/zinc/89/86/22/993898622.db2.gz AMYMVMCLPLXSOV-UHFFFAOYSA-N -1 0 383.381 3.186 20 30 GGEDRM COc1ccc(Oc2ccc(NC(=O)N3CCC(C#N)(C(=O)[O-])CC3)cn2)cc1 ZINC001599609161 993927560 /nfs/dbraw/zinc/92/75/60/993927560.db2.gz YOOSOPZHGHFXDC-UHFFFAOYSA-N -1 0 396.403 3.105 20 30 GGEDRM C[C@H](NC(=O)c1cc2ccccc2n1CC#N)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001593157019 993981659 /nfs/dbraw/zinc/98/16/59/993981659.db2.gz SFYQURBTJBCVPZ-YJBOKZPZSA-N -1 0 375.428 3.227 20 30 GGEDRM C[C@](NC(=O)c1ccc(COc2ccc(C#N)cc2)o1)(C(=O)[O-])c1ccccc1 ZINC001593164090 994005227 /nfs/dbraw/zinc/00/52/27/994005227.db2.gz XXAUJDVFUZETQE-JOCHJYFZSA-N -1 0 390.395 3.460 20 30 GGEDRM C[C@@H](NC(=O)c1ccc(F)cc1NCc1ccccc1C(C)(C)C#N)C(=O)[O-] ZINC001593169353 994020301 /nfs/dbraw/zinc/02/03/01/994020301.db2.gz YQTJMBQGKDJXDF-CYBMUJFWSA-N -1 0 383.423 3.442 20 30 GGEDRM 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C[C@H](c1cc2ccccc2o1)N(C)S(=O)(=O)c1ccc(C#N)cc1C(=O)[O-] ZINC001593685700 996117798 /nfs/dbraw/zinc/11/77/98/996117798.db2.gz ATQHWWOETHHUNR-GFCCVEGCSA-N -1 0 384.413 3.384 20 30 GGEDRM C[C@@H](c1cc2ccccc2o1)N(C)S(=O)(=O)c1ccc(C#N)cc1C(=O)[O-] ZINC001593685709 996118283 /nfs/dbraw/zinc/11/82/83/996118283.db2.gz ATQHWWOETHHUNR-LBPRGKRZSA-N -1 0 384.413 3.384 20 30 GGEDRM C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)CON=Cc1ccc(C(=O)[O-])cc1 ZINC001593692416 996139276 /nfs/dbraw/zinc/13/92/76/996139276.db2.gz CHLYZZFWDSOGCA-LBPRGKRZSA-N -1 0 376.359 3.233 20 30 GGEDRM C[C@H](c1ncc(C(=O)[O-])s1)N1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC001593731698 996304528 /nfs/dbraw/zinc/30/45/28/996304528.db2.gz HWUURKXHNVXANK-LLVKDONJSA-N -1 0 375.425 3.456 20 30 GGEDRM C[C@H](c1ncc(C(=O)[O-])s1)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC001593732105 996308015 /nfs/dbraw/zinc/30/80/15/996308015.db2.gz NXYYCYFRUMFMQF-GFCCVEGCSA-N -1 0 384.461 3.125 20 30 GGEDRM CC1(C(=O)N[C@H](CC(=O)[O-])C2CC2)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC001593750158 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ZINC001594055476 997785095 /nfs/dbraw/zinc/78/50/95/997785095.db2.gz CUETVKQNYJVDGN-GCJKJVERSA-N -1 0 392.459 3.329 20 30 GGEDRM COc1cc(NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)c(C(=O)[O-])cc1OC ZINC001599433824 997806666 /nfs/dbraw/zinc/80/66/66/997806666.db2.gz KNRPZIKGSJMMRJ-UHFFFAOYSA-N -1 0 395.415 3.470 20 30 GGEDRM COc1cc(NC(=O)N2CCC(C#N)(C(=O)[O-])CC2)c(C2CC2)cc1Cl ZINC001599435048 997828753 /nfs/dbraw/zinc/82/87/53/997828753.db2.gz MRWVURIHWXZNCK-UHFFFAOYSA-N -1 0 377.828 3.448 20 30 GGEDRM COc1cc(NC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)ccc1C(=O)[O-] ZINC001599435252 997832999 /nfs/dbraw/zinc/83/29/99/997832999.db2.gz OQIBWPAYMKRPQD-UHFFFAOYSA-N -1 0 395.415 3.340 20 30 GGEDRM COc1ccc(/C=C\C(=O)[O-])cc1OS(=O)(=O)c1ccc(Cl)cc1C#N ZINC001599546109 997925786 /nfs/dbraw/zinc/92/57/86/997925786.db2.gz LIYLNPCDNVWVNA-CLTKARDFSA-N -1 0 393.804 3.086 20 30 GGEDRM COc1ccc(/C=C\C(=O)[O-])cc1OS(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC001599546620 997933474 /nfs/dbraw/zinc/93/34/74/997933474.db2.gz 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COc1cc(NC(C)=O)ccc1C(=O)/C=C/c1ccc(O[C@H](C)C(=O)[O-])cc1 ZINC001599444659 997989013 /nfs/dbraw/zinc/98/90/13/997989013.db2.gz SDPYPDSWXIXEPS-ASJRZHAZSA-N -1 0 383.400 3.402 20 30 GGEDRM COc1cc(Nc2ccc(C(=O)[O-])nc2C#N)cc(OC)c1Br ZINC001599445715 998006318 /nfs/dbraw/zinc/00/63/18/998006318.db2.gz XOCOHDLRIZZNPW-UHFFFAOYSA-N -1 0 378.182 3.175 20 30 GGEDRM CO[C@H]1CN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)[C@](C)(C(=O)[O-])C1 ZINC001599134887 998023072 /nfs/dbraw/zinc/02/30/72/998023072.db2.gz USPOENBJQQEXRP-NQIIRXRSSA-N -1 0 380.400 3.055 20 30 GGEDRM COc1cc(Br)c(CNc2ccc(C(=O)[O-])nc2C#N)cc1OC ZINC001599347759 998038633 /nfs/dbraw/zinc/03/86/33/998038633.db2.gz HUIBTJYNIWTVOK-UHFFFAOYSA-N -1 0 392.209 3.043 20 30 GGEDRM COc1cc(C#N)ccc1NC(=O)NCc1ccc(OCCCC(=O)[O-])cc1 ZINC001599347955 998042745 /nfs/dbraw/zinc/04/27/45/998042745.db2.gz MUUWHEBCXRHKCE-UHFFFAOYSA-N -1 0 383.404 3.132 20 30 GGEDRM COc1cc(C#N)ccc1NC(=O)N1CCC(Nc2cccc(C(=O)[O-])c2)CC1 ZINC001599348142 998045073 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3.239 20 30 GGEDRM COc1cc(C#N)ccc1C(=O)N(CC(=O)[O-])Cc1ccc(C(F)(F)F)cc1 ZINC001599349367 998066553 /nfs/dbraw/zinc/06/65/53/998066553.db2.gz QITDEELGWUEMSV-UHFFFAOYSA-N -1 0 392.333 3.313 20 30 GGEDRM CC1=C(C(=O)[O-])[C@@H](c2c(F)cc(C#N)cc2F)NC(=O)N1Cc1ccccc1 ZINC001594095485 998066569 /nfs/dbraw/zinc/06/65/69/998066569.db2.gz QYAHBWMFQUCSCC-SFHVURJKSA-N -1 0 383.354 3.462 20 30 GGEDRM COc1cc(C#N)cc(Br)c1OC(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC001599349353 998066798 /nfs/dbraw/zinc/06/67/98/998066798.db2.gz PVCSAPHFYDJUBI-HWKANZROSA-N -1 0 392.161 3.239 20 30 GGEDRM COc1cc(OC)c2ncc(C#N)c(N3CCc4cccc(C(=O)[O-])c4C3)c2c1 ZINC001599449447 998067253 /nfs/dbraw/zinc/06/72/53/998067253.db2.gz GWTYTIRWQWGREE-UHFFFAOYSA-N -1 0 389.411 3.385 20 30 GGEDRM CO[C@H]1COCC[C@H]1CC(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC001599137504 998067598 /nfs/dbraw/zinc/06/75/98/998067598.db2.gz GLFYQAYBLLSMKQ-RXVVDRJESA-N -1 0 393.439 3.165 20 30 GGEDRM COc1cc(C#N)ccc1S(=O)(=O)Oc1cccc2cc(C(=O)[O-])ccc21 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COc1ccc(Br)c([C@H](C(=O)[O-])N(C)Cc2ccc(C#N)o2)c1 ZINC001599475261 998520062 /nfs/dbraw/zinc/52/00/62/998520062.db2.gz LHBVAZHQCXBTSI-OAHLLOKOSA-N -1 0 379.210 3.180 20 30 GGEDRM COC(=O)c1ccc(NC(=O)NCc2ccc(SC)c(C#N)c2)cc1C(=O)[O-] ZINC001598980798 998656019 /nfs/dbraw/zinc/65/60/19/998656019.db2.gz SPMCMHBDVSNBOC-UHFFFAOYSA-N -1 0 399.428 3.087 20 30 GGEDRM COC(=O)c1ccc(NC(=O)Nc2ccccc2O[C@H](C)C#N)cc1C(=O)[O-] ZINC001598981243 998659896 /nfs/dbraw/zinc/65/98/96/998659896.db2.gz NSDJYPMAIRUGAC-LLVKDONJSA-N -1 0 383.360 3.106 20 30 GGEDRM COC(=O)c1ccc(NC[C@@H](Cc2ccc3ccccc3c2)C(=O)[O-])c(C#N)n1 ZINC001598983982 998683843 /nfs/dbraw/zinc/68/38/43/998683843.db2.gz DMGCYZKQHIEDOE-QGZVFWFLSA-N -1 0 389.411 3.248 20 30 GGEDRM COC(=O)c1cccc(COc2cc(Br)cc(C(=O)[O-])c2)c1C#N ZINC001598993443 998757704 /nfs/dbraw/zinc/75/77/04/998757704.db2.gz BRORZYSKNXKGJI-UHFFFAOYSA-N -1 0 390.189 3.385 20 30 GGEDRM COC(=O)c1sc2ncc(C(=O)/C=C/c3cccc(C(=O)[O-])n3)cc2c1C ZINC001599021662 998985082 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C=CCNC(=O)c1ccccc1[N-]S(=O)(=O)c1cccc2cc(C)cnc21 ZINC000024370518 212105972 /nfs/dbraw/zinc/10/59/72/212105972.db2.gz ZYODUKWPQDOFSH-UHFFFAOYSA-N -1 0 381.457 3.260 20 30 GGEDRM CC(=O)Nc1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)c(C(F)(F)F)c1 ZINC000011265544 221113198 /nfs/dbraw/zinc/11/31/98/221113198.db2.gz OCZZREYNMXVVJR-UHFFFAOYSA-N -1 0 383.351 3.336 20 30 GGEDRM O=C([N-]S(=O)(=O)N1CCCCC1)c1cc2c(s1)-c1ccccc1OC2 ZINC000064619694 222076010 /nfs/dbraw/zinc/07/60/10/222076010.db2.gz SIDJUODCATZHQU-UHFFFAOYSA-N -1 0 378.475 3.343 20 30 GGEDRM Cc1ccc(O[C@H](C)C(=O)[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000048536716 525464386 /nfs/dbraw/zinc/46/43/86/525464386.db2.gz DULQLPBKFZGAGL-CYBMUJFWSA-N -1 0 378.406 3.157 20 30 GGEDRM C[C@@H](OC[C@H]1CCCO1)C(=O)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000069283917 525909792 /nfs/dbraw/zinc/90/97/92/525909792.db2.gz HLABNNOUSJALQF-NXEZZACHSA-N -1 0 382.265 3.223 20 30 GGEDRM O=C(COc1ccc2c(c1)CCC2)[N-]S(=O)(=O)Cc1ccc(Cl)nc1 ZINC000058149646 527192345 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ZINC000819856702 598224697 /nfs/dbraw/zinc/22/46/97/598224697.db2.gz MAZABYRJTDQGSH-IBGZPJMESA-N -1 0 384.342 3.451 20 30 GGEDRM C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])cc1Cl ZINC000820235626 598224733 /nfs/dbraw/zinc/22/47/33/598224733.db2.gz PGSBFBIDGNVNGL-HXPMCKFVSA-N -1 0 391.855 3.298 20 30 GGEDRM C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@](C)(C#N)CC(=O)[O-] ZINC000819713452 598225651 /nfs/dbraw/zinc/22/56/51/598225651.db2.gz NOOVRRGJRQOBDD-INIZCTEOSA-N -1 0 383.217 3.107 20 30 GGEDRM C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@@](C)(C#N)CC(=O)[O-] ZINC000819713455 598225669 /nfs/dbraw/zinc/22/56/69/598225669.db2.gz NOOVRRGJRQOBDD-MRXNPFEDSA-N -1 0 383.217 3.107 20 30 GGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(Sc2nncs2)c(Cl)c1 ZINC000819856567 598226512 /nfs/dbraw/zinc/22/65/12/598226512.db2.gz KAWJUIPRWVEOFZ-AWEZNQCLSA-N -1 0 382.854 3.286 20 30 GGEDRM CC(C)(C)OC(=O)N1CCCc2cc(NC(=O)[C@](C)(C#N)CC(=O)[O-])ccc21 ZINC000819921360 598226705 /nfs/dbraw/zinc/22/67/05/598226705.db2.gz IGADIERLFPFSQU-FQEVSTJZSA-N -1 0 387.436 3.317 20 30 GGEDRM Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)[C@](C)(C#N)CC(=O)[O-] ZINC000821152753 598226901 /nfs/dbraw/zinc/22/69/01/598226901.db2.gz HIGPATNUYUTVQA-ZMZPIMSZSA-N -1 0 375.425 3.439 20 30 GGEDRM Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)[C@](C)(C#N)CC(=O)[O-] ZINC000821152751 598226916 /nfs/dbraw/zinc/22/69/16/598226916.db2.gz HIGPATNUYUTVQA-VOJFVSQTSA-N -1 0 375.425 3.439 20 30 GGEDRM Cc1sc(NC(=O)[C@](C)(C#N)CC(=O)[O-])nc1-c1c(F)cc(F)cc1F ZINC000821257426 598226933 /nfs/dbraw/zinc/22/69/33/598226933.db2.gz OFDJZHPAFONPRZ-INIZCTEOSA-N -1 0 383.351 3.479 20 30 GGEDRM COc1ccc(-c2nc(C)c([C@H](C)NC(=O)[C@](C)(C#N)CC(=O)[O-])s2)cc1 ZINC000820805457 598227739 /nfs/dbraw/zinc/22/77/39/598227739.db2.gz ZXKGFLJDCCHRNJ-BUXKBTBVSA-N -1 0 387.461 3.309 20 30 GGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)NCc1cc(Cl)cc(Cl)c1OC(F)F ZINC000819843239 598229972 /nfs/dbraw/zinc/22/99/72/598229972.db2.gz ZRAINWVQAYZXPQ-CQSZACIVSA-N -1 0 381.162 3.216 20 30 GGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(-c2nc3cc(F)c(F)cc3[nH]2)cc1 ZINC000819846826 598230342 /nfs/dbraw/zinc/23/03/42/598230342.db2.gz GVZSTEUDQXHPAD-LJQANCHMSA-N -1 0 384.342 3.451 20 30 GGEDRM Cc1cc(C)n(N=Cc2ccc(Cl)c(C(F)(F)F)c2)c(=O)c1-c1nnn[n-]1 ZINC000737257653 598438268 /nfs/dbraw/zinc/43/82/68/598438268.db2.gz XQAYVQZWZYUARI-UHFFFAOYSA-N -1 0 396.760 3.200 20 30 GGEDRM C#CCOc1cccc([C@H](C)OC(=O)Cc2[nH]c(C(C)=O)c(C)c2C(=O)[O-])c1 ZINC000736089547 599704109 /nfs/dbraw/zinc/70/41/09/599704109.db2.gz MMUJLJHFPUTMQK-AWEZNQCLSA-N -1 0 383.400 3.083 20 30 GGEDRM N#Cc1ccc(Cc2cnc(NC(=O)CCNC(=O)[O-])s2)c(C(F)(F)F)c1 ZINC000739118160 599721412 /nfs/dbraw/zinc/72/14/12/599721412.db2.gz NUOVINKRDNQINQ-UHFFFAOYSA-N -1 0 398.366 3.221 20 30 GGEDRM C=CCN(CCc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1C(=O)[O-] ZINC000736108720 599729744 /nfs/dbraw/zinc/72/97/44/599729744.db2.gz QBQYACGFUQJZQU-UHFFFAOYSA-N -1 0 379.865 3.458 20 30 GGEDRM CC(=O)C1=C(C(=O)[O-])N(Cc2cccs2)C(=O)N[C@@H]1c1cccc(F)c1F ZINC000736125025 599735039 /nfs/dbraw/zinc/73/50/39/599735039.db2.gz GIZJCRXPOGIRND-OAHLLOKOSA-N -1 0 392.383 3.221 20 30 GGEDRM CCOc1ccc(C[C@@H](CNC(=O)Nc2ccc(CC#N)cc2)C(=O)[O-])cc1 ZINC000737200800 599755461 /nfs/dbraw/zinc/75/54/61/599755461.db2.gz WXDFXDZWSNGQMZ-KRWDZBQOSA-N -1 0 381.432 3.216 20 30 GGEDRM N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)CCSCC(=O)[O-])cc1 ZINC000739117200 599755698 /nfs/dbraw/zinc/75/56/98/599755698.db2.gz JUUULFFBWWAVKK-UHFFFAOYSA-N -1 0 386.448 3.434 20 30 GGEDRM CCOc1ccc(C[C@@H](CNC(=O)Nc2cc(C#N)ccc2OC)C(=O)[O-])cc1 ZINC000737198832 599757254 /nfs/dbraw/zinc/75/72/54/599757254.db2.gz HQCQZTGVJLGSCN-INIZCTEOSA-N -1 0 397.431 3.031 20 30 GGEDRM Cc1ccn2ncc(C(=O)Nc3cccc(C#Cc4cccc(C(=O)[O-])c4)c3)c2n1 ZINC000486201005 599763614 /nfs/dbraw/zinc/76/36/14/599763614.db2.gz YRAKRITZDSKWCE-UHFFFAOYSA-N -1 0 396.406 3.388 20 30 GGEDRM CCN(C[C@@H](C)C#N)C(=O)CN(C)[C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000737079465 599771046 /nfs/dbraw/zinc/77/10/46/599771046.db2.gz NNMCUFATGGVFCW-ZBEGNZNMSA-N -1 0 386.279 3.059 20 30 GGEDRM Cc1c(C)n(C2CCCC2)c(NC(=O)CN[C@@H](C(=O)[O-])c2ccccc2)c1C#N ZINC000738253343 599783083 /nfs/dbraw/zinc/78/30/83/599783083.db2.gz OVFMJKLFLVECMV-HXUWFJFHSA-N -1 0 394.475 3.446 20 30 GGEDRM Cc1oc(C(=O)[O-])cc1CON=C(N)c1ccc(OCc2cccnc2)cc1 ZINC000738966144 599785584 /nfs/dbraw/zinc/78/55/84/599785584.db2.gz QPWCYCYKFIKPNS-UHFFFAOYSA-N -1 0 381.388 3.097 20 30 GGEDRM N#CCCn1cc(C(=O)COC(=O)c2ccccc2C(=O)[O-])c2ccccc21 ZINC000739075884 599787304 /nfs/dbraw/zinc/78/73/04/599787304.db2.gz PDMDDAZYNNRSPV-UHFFFAOYSA-N -1 0 376.368 3.293 20 30 GGEDRM Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)OC(=O)c2ccccc2C(=O)[O-])c1 ZINC000738363702 599788433 /nfs/dbraw/zinc/78/84/33/599788433.db2.gz IWQKLPQPXICPSP-INIZCTEOSA-N -1 0 394.427 3.494 20 30 GGEDRM CC(=O)c1[nH]c(CC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)c(C(=O)[O-])c1C ZINC000736179923 599790470 /nfs/dbraw/zinc/79/04/70/599790470.db2.gz NYTUYRIFTDWWTA-SECBINFHSA-N -1 0 399.472 3.463 20 30 GGEDRM Cc1[nH]c(C(=O)[C@@H](C)N2CCC(Oc3cccc(C#N)c3)CC2)c(C)c1C(=O)[O-] ZINC000738237235 599794515 /nfs/dbraw/zinc/79/45/15/599794515.db2.gz SAISFFPXEFKUFS-OAHLLOKOSA-N -1 0 395.459 3.316 20 30 GGEDRM N#C[C@@H](C(=O)CCCNC(=O)[O-])C(=O)Nc1ccccc1Oc1ccccc1 ZINC000739076235 599799276 /nfs/dbraw/zinc/79/92/76/599799276.db2.gz ZBKYGAVPDKAZLX-HNNXBMFYSA-N -1 0 381.388 3.174 20 30 GGEDRM N#Cc1ccccc1OCC(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)(F)F ZINC000739146572 599800773 /nfs/dbraw/zinc/80/07/73/599800773.db2.gz HSRUCPDWPKBNJI-UHFFFAOYSA-N -1 0 394.305 3.215 20 30 GGEDRM C#Cc1cccc(NC(=S)N2CCN(c3ccc(C(=O)[O-])cc3)C[C@@H]2C)c1 ZINC000736090593 599806097 /nfs/dbraw/zinc/80/60/97/599806097.db2.gz DETQOABQOZGMOG-HNNXBMFYSA-N -1 0 379.485 3.274 20 30 GGEDRM Cc1nc(NC(=O)c2occc2COc2cccc(C#N)c2)sc1C(=O)[O-] ZINC000738359214 599808436 /nfs/dbraw/zinc/80/84/36/599808436.db2.gz DOVOPWHSBOJKNM-UHFFFAOYSA-N -1 0 383.385 3.446 20 30 GGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)[C@@H]1Cc2ccccc2N1C(C)=O ZINC000736114419 599808958 /nfs/dbraw/zinc/80/89/58/599808958.db2.gz KUSXGKPZFXDYDI-SFHVURJKSA-N -1 0 395.411 3.005 20 30 GGEDRM C=CCCC(=O)Nc1cccc(-c2c(C(=O)OC)c(C(=O)[O-])c3n2CCC3)c1 ZINC000736098213 599809893 /nfs/dbraw/zinc/80/98/93/599809893.db2.gz VXPZWACOSVIGRX-UHFFFAOYSA-N -1 0 382.416 3.491 20 30 GGEDRM Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000738475301 599819976 /nfs/dbraw/zinc/81/99/76/599819976.db2.gz WNKAKKNUMKTRFN-KRWDZBQOSA-N -1 0 379.416 3.384 20 30 GGEDRM COc1ccc(CNC(=O)Nc2cc(C#N)ccc2OC(F)F)cc1C(=O)[O-] ZINC000738005646 599822389 /nfs/dbraw/zinc/82/23/89/599822389.db2.gz LJJXRVIWKRGUPN-UHFFFAOYSA-N -1 0 391.330 3.188 20 30 GGEDRM CN1c2ccccc2C(C)(C)/C1=C\C(=O)COC(=O)c1ccccc1C(=O)[O-] ZINC000737506053 599828850 /nfs/dbraw/zinc/82/88/50/599828850.db2.gz KOGQAPKFWJVLKT-XDHOZWIPSA-N -1 0 379.412 3.422 20 30 GGEDRM C[C@@](NC(=O)c1sccc1C#N)(C(=O)[O-])c1cccc(Br)c1 ZINC000736660295 599837991 /nfs/dbraw/zinc/83/79/91/599837991.db2.gz GLTWWZHGPNZGLP-HNNXBMFYSA-N -1 0 379.235 3.112 20 30 GGEDRM C[C@](NC(=O)c1sccc1C#N)(C(=O)[O-])c1cccc(Br)c1 ZINC000736660297 599838077 /nfs/dbraw/zinc/83/80/77/599838077.db2.gz GLTWWZHGPNZGLP-OAHLLOKOSA-N -1 0 379.235 3.112 20 30 GGEDRM Cc1nn(-c2ccc(C(=O)N[C@H](C#N)CC(C)C)cc2)c(C)c1CCC(=O)[O-] ZINC000738895870 599838155 /nfs/dbraw/zinc/83/81/55/599838155.db2.gz IOWKWPBFCSNQPG-KRWDZBQOSA-N -1 0 382.464 3.174 20 30 GGEDRM C#CCOc1cccc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2C(=O)[O-])c1 ZINC000736089224 599838427 /nfs/dbraw/zinc/83/84/27/599838427.db2.gz HZLIDYJSYHWGAV-UHFFFAOYSA-N -1 0 399.346 3.216 20 30 GGEDRM C[C@@H](C#N)CSc1ccccc1NS(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC000736204097 599838702 /nfs/dbraw/zinc/83/87/02/599838702.db2.gz XUQLPOBHXRTWOS-NSHDSACASA-N -1 0 392.458 3.143 20 30 GGEDRM O=C([O-])N1C/C(=C\c2cnn3ccccc23)C(=O)/C(=C\c2cnn3ccccc23)C1 ZINC000738717147 599838747 /nfs/dbraw/zinc/83/87/47/599838747.db2.gz KVNIOVQITSQITE-BUOZRGFLSA-N -1 0 399.410 3.012 20 30 GGEDRM COc1cc(/C=C/C(=O)[O-])ccc1OC(=O)[C@H]1CCCN1c1ccc(C#N)cc1 ZINC000737872436 599838843 /nfs/dbraw/zinc/83/88/43/599838843.db2.gz PKEOBXPCLNKKFB-JGZYNSJSSA-N -1 0 392.411 3.239 20 30 GGEDRM C=CCn1c(Cc2ccccc2)nn(CN2CCCC[C@@H]2CC(=O)[O-])c1=S ZINC000736118779 599839109 /nfs/dbraw/zinc/83/91/09/599839109.db2.gz XYLKFKHTFODKHD-QGZVFWFLSA-N -1 0 386.521 3.478 20 30 GGEDRM C=CCn1c(Cc2ccccc2)nn(CN2CCCC[C@H]2CC(=O)[O-])c1=S ZINC000736118774 599839158 /nfs/dbraw/zinc/83/91/58/599839158.db2.gz XYLKFKHTFODKHD-KRWDZBQOSA-N -1 0 386.521 3.478 20 30 GGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)c1ccc(C(=O)N(C)C)cc1 ZINC000736113878 599842442 /nfs/dbraw/zinc/84/24/42/599842442.db2.gz CWSVNWCFANXQEK-UHFFFAOYSA-N -1 0 383.400 3.043 20 30 GGEDRM C=CCN(Cc1cc(C(=O)[O-])co1)S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000736108345 599844096 /nfs/dbraw/zinc/84/40/96/599844096.db2.gz AJTUWPHKSLPZQG-UHFFFAOYSA-N -1 0 389.351 3.374 20 30 GGEDRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)[C@@H](C)Oc2ccc(C#N)cc2)cc1 ZINC000738198530 599848643 /nfs/dbraw/zinc/84/86/43/599848643.db2.gz FOSCYBRNFBFFMV-ACJLOTCBSA-N -1 0 384.457 3.380 20 30 GGEDRM Cc1ccc(C(=O)C2=C(C(=O)[O-])NC(=S)N[C@@H]2c2ccc(F)c(C)c2)cc1 ZINC000738503512 599850078 /nfs/dbraw/zinc/85/00/78/599850078.db2.gz PZFSDKYCHJOGLS-MRXNPFEDSA-N -1 0 384.432 3.183 20 30 GGEDRM C#Cc1cccc(N(Cc2ccco2)S(=O)(=O)c2ccsc2C(=O)[O-])c1 ZINC000736090705 599850314 /nfs/dbraw/zinc/85/03/14/599850314.db2.gz HOFLIQOTZWTFLO-UHFFFAOYSA-N -1 0 387.438 3.416 20 30 GGEDRM Cc1cc([C@H]2NC(=O)N(CC3CC3)C(C(=O)[O-])=C2C(=O)c2ccco2)ccc1F ZINC000738379715 599851433 /nfs/dbraw/zinc/85/14/33/599851433.db2.gz PXWUZWBXXWICKR-QGZVFWFLSA-N -1 0 398.390 3.425 20 30 GGEDRM C=CCOc1ccc(C(=O)N(CC(=O)[O-])Cc2ccc(F)c(F)c2)cc1OC ZINC000431977339 599851763 /nfs/dbraw/zinc/85/17/63/599851763.db2.gz LQRUSZVFOLCXRK-UHFFFAOYSA-N -1 0 391.370 3.265 20 30 GGEDRM C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCCC[C@@H]1CC(=O)[O-] ZINC000736201931 599855832 /nfs/dbraw/zinc/85/58/32/599855832.db2.gz LAAUWNHKLYPIKK-HUUCEWRRSA-N -1 0 375.494 3.206 20 30 GGEDRM C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCCC[C@H]1CC(=O)[O-] ZINC000736546455 599855888 /nfs/dbraw/zinc/85/58/88/599855888.db2.gz YKRCDYQLURQLBM-CABCVRRESA-N -1 0 375.494 3.349 20 30 GGEDRM C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@@H](C(=O)[O-])c1ccccc1 ZINC000736544737 599855921 /nfs/dbraw/zinc/85/59/21/599855921.db2.gz KMSDXMIUDVKWCN-AUUYWEPGSA-N -1 0 383.473 3.435 20 30 GGEDRM C[C@@H](OC(=O)c1ccccc1NC(=O)[O-])C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000736696416 599867405 /nfs/dbraw/zinc/86/74/05/599867405.db2.gz IBGOESKTWNFKQD-CYBMUJFWSA-N -1 0 399.378 3.408 20 30 GGEDRM C#Cc1cccc(N(CC(=O)N2CCC(C(=O)[O-])CC2)Cc2cccs2)c1 ZINC000736091119 599875284 /nfs/dbraw/zinc/87/52/84/599875284.db2.gz PAGJLJSCSNBRPE-UHFFFAOYSA-N -1 0 382.485 3.059 20 30 GGEDRM O=C([O-])c1cccc(C#Cc2cccc(NC(=O)NCCOCC3CC3)c2)c1 ZINC000739428657 599878976 /nfs/dbraw/zinc/87/89/76/599878976.db2.gz NBFCFPWWTZIQGY-UHFFFAOYSA-N -1 0 378.428 3.333 20 30 GGEDRM O=C([O-])c1coc(COC(=O)c2ccccc2NC=CC(=O)C(F)(F)F)c1 ZINC000740272899 599879142 /nfs/dbraw/zinc/87/91/42/599879142.db2.gz ZXAQRSRXVLTDEE-AATRIKPKSA-N -1 0 383.278 3.392 20 30 GGEDRM O=C([O-])c1coc(COC(=O)c2ccccc2NC=CC(=O)C(F)(F)F)c1 ZINC000740272900 599879201 /nfs/dbraw/zinc/87/92/01/599879201.db2.gz ZXAQRSRXVLTDEE-WAYWQWQTSA-N -1 0 383.278 3.392 20 30 GGEDRM C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1C(=O)Nc1ccc(F)c(C#N)c1 ZINC000736821076 599887245 /nfs/dbraw/zinc/88/72/45/599887245.db2.gz AXXRHYKXYFPONO-ZDUSSCGKSA-N -1 0 382.395 3.138 20 30 GGEDRM COC(=O)c1cccc(C#Cc2cccc(NC(=O)[C@@H](NC(=O)[O-])C(C)C)c2)c1 ZINC000737710091 599891923 /nfs/dbraw/zinc/89/19/23/599891923.db2.gz WISRVXFTICQUKH-IBGZPJMESA-N -1 0 394.427 3.104 20 30 GGEDRM COC(=O)c1c(C)c(C(=O)[O-])sc1NC(=O)CSc1ccc(C#N)cc1 ZINC000737649051 599894375 /nfs/dbraw/zinc/89/43/75/599894375.db2.gz HRLHZSUZJHHJSX-UHFFFAOYSA-N -1 0 390.442 3.144 20 30 GGEDRM CCOc1cc(C(=O)N(Cc2ccc(C#N)cc2)C2CC2)ccc1OCC(=O)[O-] ZINC000737183395 599902544 /nfs/dbraw/zinc/90/25/44/599902544.db2.gz XWNFTKBTXLEAKY-UHFFFAOYSA-N -1 0 394.427 3.225 20 30 GGEDRM CCc1ccc([C@H]2NC(=S)NC(C(=O)[O-])=C2C(=O)c2cccs2)s1 ZINC000737260395 599904182 /nfs/dbraw/zinc/90/41/82/599904182.db2.gz KLTCIPNEWXXMJE-GFCCVEGCSA-N -1 0 378.500 3.112 20 30 GGEDRM C[C@@H]1CCC[C@@H]1NC(=O)C(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC000736777815 599908453 /nfs/dbraw/zinc/90/84/53/599908453.db2.gz DNRRXZYRQMQVKV-QRWLVFNGSA-N -1 0 390.439 3.028 20 30 GGEDRM C[C@H]1CCC[C@H]1NC(=O)C(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC000736777813 599908554 /nfs/dbraw/zinc/90/85/54/599908554.db2.gz DNRRXZYRQMQVKV-MGPUTAFESA-N -1 0 390.439 3.028 20 30 GGEDRM C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1C(=O)CSc1ccc(C#N)cc1 ZINC000736826940 599911140 /nfs/dbraw/zinc/91/11/40/599911140.db2.gz XUAMQZUACPTTBC-HNNXBMFYSA-N -1 0 395.484 3.086 20 30 GGEDRM N#CCCN(C(=O)COc1ccc(C(=O)[O-])cc1C=O)c1cccc(Cl)c1 ZINC000739071938 599911626 /nfs/dbraw/zinc/91/16/26/599911626.db2.gz ATMPJCYFRWUIET-UHFFFAOYSA-N -1 0 386.791 3.176 20 30 GGEDRM C[C@H](CN(C(=O)c1cccc(OCc2ccccc2C#N)c1)C1CC1)C(=O)[O-] ZINC000736566480 599915375 /nfs/dbraw/zinc/91/53/75/599915375.db2.gz TUQOKMBMQYKVMX-OAHLLOKOSA-N -1 0 378.428 3.463 20 30 GGEDRM CCOc1ccc(N(CCC#N)C(=O)Cc2[nH]c(C(C)=O)c(C)c2C(=O)[O-])cc1 ZINC000737202028 599917193 /nfs/dbraw/zinc/91/71/93/599917193.db2.gz DTOBKJDKXHJRSR-UHFFFAOYSA-N -1 0 397.431 3.112 20 30 GGEDRM N#C[C@H](NC(=O)c1ccc(OCC(=O)[O-])cc1)c1cccc(Cl)c1Cl ZINC000739074094 599919123 /nfs/dbraw/zinc/91/91/23/599919123.db2.gz GWVVXCCCRKBFSL-AWEZNQCLSA-N -1 0 379.199 3.451 20 30 GGEDRM N#Cc1cnc2ccc(OC(F)F)cc2c1NCCOc1ccc(C(=O)[O-])cc1 ZINC000739145707 599922930 /nfs/dbraw/zinc/92/29/30/599922930.db2.gz URJIXHXJJMXQJD-UHFFFAOYSA-N -1 0 399.353 3.319 20 30 GGEDRM COc1ccc(/C=C2/CN(CC(=O)[O-])C/C(=C/c3ccc(OC)cc3)C2=O)cc1 ZINC000737987719 599926220 /nfs/dbraw/zinc/92/62/20/599926220.db2.gz YVSYNFUJGICQQT-ZAORYEFMSA-N -1 0 393.439 3.140 20 30 GGEDRM CCOc1cc(C(=O)N(CCC#N)c2ccc(C)cc2)ccc1OCC(=O)[O-] ZINC000737183296 599934338 /nfs/dbraw/zinc/93/43/38/599934338.db2.gz WZAHTZFRVWMBQK-UHFFFAOYSA-N -1 0 382.416 3.418 20 30 GGEDRM N#CCCCOc1cccc(/C=C2/SC(=S)N(CCCC(=O)[O-])C2=O)c1 ZINC000726788066 599943334 /nfs/dbraw/zinc/94/33/34/599943334.db2.gz XTGBJLBXGQLLFS-NTCAYCPXSA-N -1 0 390.486 3.435 20 30 GGEDRM C=CCSc1ccccc1NC(=O)CN1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000736114445 599966170 /nfs/dbraw/zinc/96/61/70/599966170.db2.gz LITDCXRWOUNTMG-SFHVURJKSA-N -1 0 382.485 3.415 20 30 GGEDRM C=CCc1cc(C(=O)N[C@H](C(=O)[O-])c2cc(F)ccc2F)cc(OC)c1OC ZINC000736115176 599975348 /nfs/dbraw/zinc/97/53/48/599975348.db2.gz WTOSKTYLEYJMNS-KRWDZBQOSA-N -1 0 391.370 3.266 20 30 GGEDRM CC(=O)C1=C(c2ccc(F)cc2)N(C)C(=S)N[C@H]1c1ccccc1C(=O)[O-] ZINC000736127303 599978039 /nfs/dbraw/zinc/97/80/39/599978039.db2.gz VKCYAKCVPGMIHC-KRWDZBQOSA-N -1 0 384.432 3.385 20 30 GGEDRM C=CCc1ccc(OCC(=O)N[C@H](C(=O)[O-])c2cc(F)ccc2F)c(OC)c1 ZINC000736114978 599979077 /nfs/dbraw/zinc/97/90/77/599979077.db2.gz SLWADVVLPPZCPA-IBGZPJMESA-N -1 0 391.370 3.023 20 30 GGEDRM C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000736540006 599980895 /nfs/dbraw/zinc/98/08/95/599980895.db2.gz BLFHGYYTDDSTES-CYBMUJFWSA-N -1 0 397.456 3.034 20 30 GGEDRM C=CCN1C(=O)N[C@@H](c2csc(-c3cccc(OC)c3)n2)C(C(=O)[O-])=C1C ZINC000736106978 599983469 /nfs/dbraw/zinc/98/34/69/599983469.db2.gz ODLAWEOKRFLFRB-INIZCTEOSA-N -1 0 385.445 3.430 20 30 GGEDRM CC1=C(C(=O)[O-])[C@@H](c2cccc(OCC#N)c2)NC(=O)N1CCc1cccs1 ZINC000736750405 599986441 /nfs/dbraw/zinc/98/64/41/599986441.db2.gz KCMIOKYAQGIKCJ-GOSISDBHSA-N -1 0 397.456 3.318 20 30 GGEDRM CC(C)[C@@H](Oc1ccccc1C#N)C(=O)OCc1cn2cccc(C(=O)[O-])c2n1 ZINC000736390774 599988212 /nfs/dbraw/zinc/98/82/12/599988212.db2.gz LVJMZYIMXSPSEV-GOSISDBHSA-N -1 0 393.399 3.051 20 30 GGEDRM Cc1ccc(C(=O)C2=C(C(=O)[O-])N(CC3CC3)C(=O)N[C@@H]2c2cscn2)cc1 ZINC000738503498 599988751 /nfs/dbraw/zinc/98/87/51/599988751.db2.gz PQWIMPQQSBKGBX-MRXNPFEDSA-N -1 0 397.456 3.149 20 30 GGEDRM CC(C)c1ccc([C@@H]2NC(=S)NC(c3ccccc3)=C2C(=O)C(=O)[O-])cc1 ZINC000736512702 599992000 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Cc1ccc(C(=O)[O-])cc1NC(=O)Cn1cc(C#N)c(=O)c2cc(Cl)ccc21 ZINC000738528147 600027083 /nfs/dbraw/zinc/02/70/83/600027083.db2.gz KNJNBYOUEABAOE-UHFFFAOYSA-N -1 0 395.802 3.172 20 30 GGEDRM Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCC[C@H](C(=O)[O-])C2)cc1C ZINC000738490228 600030570 /nfs/dbraw/zinc/03/05/70/600030570.db2.gz LQTSEOACIACLAA-KRWDZBQOSA-N -1 0 380.448 3.017 20 30 GGEDRM N#Cc1cccc(OC2CCN(C(=O)CCc3ccc(C(=O)[O-])cc3)CC2)c1 ZINC000739133399 600045271 /nfs/dbraw/zinc/04/52/71/600045271.db2.gz GPQAVWXZEIISRI-UHFFFAOYSA-N -1 0 378.428 3.259 20 30 GGEDRM CCOc1ccc(OCC)c(NC(=S)NN=Cc2cc(C(=O)[O-])c(C)o2)c1 ZINC000737202781 600055742 /nfs/dbraw/zinc/05/57/42/600055742.db2.gz FZDMGJRZRNNXBL-UHFFFAOYSA-N -1 0 391.449 3.404 20 30 GGEDRM CC(=O)C1=C(C(=O)[O-])N(CC2CC2)C(=O)N[C@H]1c1ccc(OCC(C)C)cc1 ZINC000736124404 600057103 /nfs/dbraw/zinc/05/71/03/600057103.db2.gz BWBITRIXEQGXIM-SFHVURJKSA-N -1 0 386.448 3.125 20 30 GGEDRM N#CCCN(C(=O)CCC(=O)Nc1cc(C(=O)[O-])ccc1F)c1ccccc1 ZINC000739073575 600060956 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CCOc1ccc(N(CCC#N)C(=O)CN2Cc3ccc(C(=O)[O-])cc3C2)cc1 ZINC000737202556 600083701 /nfs/dbraw/zinc/08/37/01/600083701.db2.gz GLQKMLCASSVZOH-UHFFFAOYSA-N -1 0 393.443 3.046 20 30 GGEDRM CCCNC(=O)CCC(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC000236832289 600086602 /nfs/dbraw/zinc/08/66/02/600086602.db2.gz VHECAOWCOZDZQO-UHFFFAOYSA-N -1 0 378.428 3.030 20 30 GGEDRM Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2Cc3ccc(C(=O)[O-])cc3C2)cc1 ZINC000738608133 600088137 /nfs/dbraw/zinc/08/81/37/600088137.db2.gz CMQOZXNUMQHKPI-INIZCTEOSA-N -1 0 377.444 3.344 20 30 GGEDRM N#Cc1ccc(N2CCC(Nc3ccc(/C=C\C(=O)[O-])cc3[N+](=O)[O-])CC2)nc1 ZINC000739123015 600126818 /nfs/dbraw/zinc/12/68/18/600126818.db2.gz KPGDCBOZTACRFS-UTCJRWHESA-N -1 0 393.403 3.040 20 30 GGEDRM Cc1c(C)n(C2CCCCC2)c(NC(=O)CN2CCC[C@@H](C(=O)[O-])C2)c1C#N ZINC000738170869 600135267 /nfs/dbraw/zinc/13/52/67/600135267.db2.gz PWIVJQYJWKKQFF-MRXNPFEDSA-N -1 0 386.496 3.217 20 30 GGEDRM C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCC[C@@H](C(=O)[O-])C1 ZINC000736218742 600136492 /nfs/dbraw/zinc/13/64/92/600136492.db2.gz BAPROIPFUDJBLT-CHWSQXEVSA-N -1 0 375.494 3.012 20 30 GGEDRM C#CCOc1ccc([C@@H](C)OC(=O)Cc2[nH]c(C(C)=O)c(C)c2C(=O)[O-])cc1 ZINC000736089211 600137994 /nfs/dbraw/zinc/13/79/94/600137994.db2.gz HRXLSTINBSBCJI-CQSZACIVSA-N -1 0 383.400 3.083 20 30 GGEDRM Cn1nccc1C=Nn1c(-c2cc(C(=O)[O-])co2)csc1=Nc1ccccc1 ZINC000739062997 600145813 /nfs/dbraw/zinc/14/58/13/600145813.db2.gz TUVAOUCZXMTJDE-UHFFFAOYSA-N -1 0 393.428 3.356 20 30 GGEDRM C=CCc1cc(C(=O)NC[C@@H](C(=O)[O-])c2ccc(C)cc2)cc(OC)c1OC ZINC000736113985 600155298 /nfs/dbraw/zinc/15/52/98/600155298.db2.gz FIDSINHNYQKUPD-GOSISDBHSA-N -1 0 383.444 3.339 20 30 GGEDRM COC(=O)c1cc(NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)cc(C(=O)[O-])c1 ZINC000737668419 600155858 /nfs/dbraw/zinc/15/58/58/600155858.db2.gz XEMAVGBAJKSARK-UHFFFAOYSA-N -1 0 393.399 3.240 20 30 GGEDRM Cc1[nH]c(C(=O)O[C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)c(C)c1C(=O)[O-] ZINC000738168948 600164344 /nfs/dbraw/zinc/16/43/44/600164344.db2.gz 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380.444 3.409 20 30 GGEDRM CCCNc1ccc(C#N)cc1NS(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC000829519462 601333062 /nfs/dbraw/zinc/33/30/62/601333062.db2.gz HNKIBPVKTPMYDF-UXBLZVDNSA-N -1 0 385.445 3.279 20 30 GGEDRM Cc1sc2ncn(N=Cc3ccc(C(=O)[O-])[nH]3)c(=O)c2c1-c1ccccc1 ZINC000833036250 601336506 /nfs/dbraw/zinc/33/65/06/601336506.db2.gz FXDFATNITRFVCU-UHFFFAOYSA-N -1 0 378.413 3.342 20 30 GGEDRM O=C([O-])c1ccc(C=NN2C(=S)N=NC2c2cc(Cl)ccc2Cl)[nH]1 ZINC000833313182 601336532 /nfs/dbraw/zinc/33/65/32/601336532.db2.gz NQTAJMACESCLSK-UHFFFAOYSA-N -1 0 382.232 3.449 20 30 GGEDRM O=C([O-])c1ccc(CN=Nc2cc(C(F)(F)F)nc(-c3ccncc3)n2)[nH]1 ZINC000833312709 601337303 /nfs/dbraw/zinc/33/73/03/601337303.db2.gz UNHMAGQLRBJONE-UHFFFAOYSA-N -1 0 376.298 3.030 20 30 GGEDRM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000827914845 601344595 /nfs/dbraw/zinc/34/45/95/601344595.db2.gz HOAOGXAJOPFIJF-MEDUHNTESA-N -1 0 386.385 3.316 20 30 GGEDRM CCn1c2ccccc2nc1SCC(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830415793 601344967 /nfs/dbraw/zinc/34/49/67/601344967.db2.gz BNPCBOBXTFJWOJ-GOSISDBHSA-N -1 0 395.440 3.389 20 30 GGEDRM N#Cc1cccc([C@H](OC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C(=O)[O-])c1 ZINC000833077533 601345488 /nfs/dbraw/zinc/34/54/88/601345488.db2.gz VNQJQVKQUHSODT-SFHVURJKSA-N -1 0 395.371 3.049 20 30 GGEDRM COc1ccc2nc(C)c(C(=O)O[C@H](C(=O)[O-])c3cccc(C#N)c3)cc2c1 ZINC000832504402 601345854 /nfs/dbraw/zinc/34/58/54/601345854.db2.gz MYDZDUHYHYUYEO-IBGZPJMESA-N -1 0 376.368 3.406 20 30 GGEDRM Cc1c(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)cnn1-c1ccc(C)cc1 ZINC000832909872 601346137 /nfs/dbraw/zinc/34/61/37/601346137.db2.gz RPTFTYGDBHTSLQ-LJQANCHMSA-N -1 0 375.384 3.344 20 30 GGEDRM Cc1c(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)cnn1-c1ccc(C)cc1 ZINC000832909869 601346195 /nfs/dbraw/zinc/34/61/95/601346195.db2.gz RPTFTYGDBHTSLQ-IBGZPJMESA-N -1 0 375.384 3.344 20 30 GGEDRM CSc1ncc(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)n1-c1ccccc1 ZINC000832797893 601346589 /nfs/dbraw/zinc/34/65/89/601346589.db2.gz FKRPDBZUEBPMJE-KRWDZBQOSA-N -1 0 393.424 3.449 20 30 GGEDRM COc1ccc(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1Br ZINC000832213789 601346769 /nfs/dbraw/zinc/34/67/69/601346769.db2.gz RWGPXWPYYUJBQO-HNNXBMFYSA-N -1 0 390.189 3.312 20 30 GGEDRM Cc1oc(-n2cccc2)c(C#N)c1C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000833024508 601346899 /nfs/dbraw/zinc/34/68/99/601346899.db2.gz HQZRAPXHSHUNBD-QGZVFWFLSA-N -1 0 375.340 3.105 20 30 GGEDRM N#Cc1cccc([C@H](OC(=O)c2cc(Br)ccc2F)C(=O)[O-])c1 ZINC000833077598 601347223 /nfs/dbraw/zinc/34/72/23/601347223.db2.gz XGLRNKRSSSUBOG-AWEZNQCLSA-N -1 0 378.153 3.443 20 30 GGEDRM N#Cc1cccc([C@H](OC(=O)c2cc(Cl)c3c(c2)OCCCO3)C(=O)[O-])c1 ZINC000833077624 601347376 /nfs/dbraw/zinc/34/73/76/601347376.db2.gz XSTDIZNUXZOEOJ-INIZCTEOSA-N -1 0 387.775 3.356 20 30 GGEDRM CSCc1nc2ccccc2n1CC(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000832771043 601347557 /nfs/dbraw/zinc/34/75/57/601347557.db2.gz WSXCKOLPVKQNJZ-LJQANCHMSA-N -1 0 395.440 3.140 20 30 GGEDRM CSCc1nc2ccccc2n1CC(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000832771042 601347605 /nfs/dbraw/zinc/34/76/05/601347605.db2.gz WSXCKOLPVKQNJZ-IBGZPJMESA-N -1 0 395.440 3.140 20 30 GGEDRM Cc1noc2nc(C3CC3)cc(C(=O)O[C@@H](C(=O)[O-])c3cccc(C#N)c3)c12 ZINC000833023649 601347758 /nfs/dbraw/zinc/34/77/58/601347758.db2.gz JGZKHZTVHBHZNH-QGZVFWFLSA-N -1 0 377.356 3.263 20 30 GGEDRM C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000828191243 601348090 /nfs/dbraw/zinc/34/80/90/601348090.db2.gz AMKYFGWHFHJUCL-NXOUGTEYSA-N -1 0 378.384 3.135 20 30 GGEDRM Cc1ccc(C)n1-c1nc(CC(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)cs1 ZINC000832925381 601349273 /nfs/dbraw/zinc/34/92/73/601349273.db2.gz MDRWDKAKGLFJCI-GOSISDBHSA-N -1 0 395.440 3.334 20 30 GGEDRM Cc1oc(-c2cccs2)nc1CC(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000833024834 601349562 /nfs/dbraw/zinc/34/95/62/601349562.db2.gz QVWNKOBDDFXOEX-QGZVFWFLSA-N -1 0 382.397 3.495 20 30 GGEDRM CC(C)NC(=O)Nc1ccc(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000826976342 601350104 /nfs/dbraw/zinc/35/01/04/601350104.db2.gz SODCCWMKCGJYRP-KRWDZBQOSA-N -1 0 381.388 3.071 20 30 GGEDRM N#Cc1cccc([C@H](OC(=O)c2cccc(NC(=O)c3ccco3)c2)C(=O)[O-])c1 ZINC000833077307 601350544 /nfs/dbraw/zinc/35/05/44/601350544.db2.gz OWPLHDPANFDZLD-SFHVURJKSA-N -1 0 390.351 3.386 20 30 GGEDRM COCCn1cc(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)c2ccccc21 ZINC000831800211 601350797 /nfs/dbraw/zinc/35/07/97/601350797.db2.gz IEZJNEMUROTYEI-LJQANCHMSA-N -1 0 378.384 3.142 20 30 GGEDRM COc1ccc(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)c(Br)c1 ZINC000832213912 601351734 /nfs/dbraw/zinc/35/17/34/601351734.db2.gz WBIRIWKJCVZFDU-OAHLLOKOSA-N -1 0 390.189 3.312 20 30 GGEDRM COc1ccc(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)c(Br)c1 ZINC000832213910 601351800 /nfs/dbraw/zinc/35/18/00/601351800.db2.gz WBIRIWKJCVZFDU-HNNXBMFYSA-N -1 0 390.189 3.312 20 30 GGEDRM CCCNC(=O)Nc1ccc(CC(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000829512914 601351894 /nfs/dbraw/zinc/35/18/94/601351894.db2.gz BOTXPMXQCJRGDY-IBGZPJMESA-N -1 0 395.415 3.001 20 30 GGEDRM N#Cc1cccc([C@@H](OC(=O)C2CCC(NC(=O)C3CCCC3)CC2)C(=O)[O-])c1 ZINC000833075306 601352083 /nfs/dbraw/zinc/35/20/83/601352083.db2.gz JYTGKIPWVHRIJJ-NKELODKYSA-N -1 0 398.459 3.092 20 30 GGEDRM CCCN(CC)C(=O)c1ccc(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000829482178 601352895 /nfs/dbraw/zinc/35/28/95/601352895.db2.gz JPWFEDPZVTUIFE-IBGZPJMESA-N -1 0 394.427 3.413 20 30 GGEDRM C[C@@H](Oc1ccc(F)cc1Cl)C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000827889358 601353536 /nfs/dbraw/zinc/35/35/36/601353536.db2.gz BXTAANQWYUNOIL-QLJPJBMISA-N -1 0 377.755 3.487 20 30 GGEDRM N#CCOc1ccc(Cl)cc1CON=C(N)COc1cccc(C(=O)[O-])c1 ZINC000833068045 601353686 /nfs/dbraw/zinc/35/36/86/601353686.db2.gz NZEIZIBQAOBQBN-UHFFFAOYSA-N -1 0 389.795 3.018 20 30 GGEDRM CC(C)=CC(=O)NCc1ccc(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000826648268 601354347 /nfs/dbraw/zinc/35/43/47/601354347.db2.gz WVYIDSPNUSSCRR-FQEVSTJZSA-N -1 0 392.411 3.123 20 30 GGEDRM CC(C)C(=O)N(C)Cc1ccc(C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000826652050 601354427 /nfs/dbraw/zinc/35/44/27/601354427.db2.gz SITKLGSPXFDNGD-LJQANCHMSA-N -1 0 394.427 3.155 20 30 GGEDRM COc1ccc(Br)cc1C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000832152798 601354707 /nfs/dbraw/zinc/35/47/07/601354707.db2.gz MENSBIGCDQCZMD-HNNXBMFYSA-N -1 0 390.189 3.312 20 30 GGEDRM N#Cc1cccc([C@@H](OC(=O)c2ccc(OC3CCOCC3)cc2)C(=O)[O-])c1 ZINC000833075792 601355132 /nfs/dbraw/zinc/35/51/32/601355132.db2.gz DSWVKEAXKSWRCC-LJQANCHMSA-N -1 0 381.384 3.099 20 30 GGEDRM COc1ccc(C(=O)CCC(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1F ZINC000832157221 601357145 /nfs/dbraw/zinc/35/71/45/601357145.db2.gz ORGPHLMQCYREGV-IBGZPJMESA-N -1 0 385.347 3.038 20 30 GGEDRM COc1ccc(C(=O)CCC(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1F ZINC000832157782 601357284 /nfs/dbraw/zinc/35/72/84/601357284.db2.gz WLNNIWNCHWZPHY-LJQANCHMSA-N -1 0 385.347 3.038 20 30 GGEDRM C=CCn1c(-c2ccc(Cl)cc2)nn(CN2CC[C@@](F)(C(=O)[O-])C2)c1=S ZINC000825706101 601371355 /nfs/dbraw/zinc/37/13/55/601371355.db2.gz YJJGYPMLBRQUNM-KRWDZBQOSA-N -1 0 396.875 3.377 20 30 GGEDRM C=CCn1c(-c2cccc(C)c2)nn(CN2CC[C@](F)(C(=O)[O-])C2)c1=S ZINC000825705291 601371383 /nfs/dbraw/zinc/37/13/83/601371383.db2.gz AXZLKXBATWCVSR-GOSISDBHSA-N -1 0 376.457 3.032 20 30 GGEDRM CC(=O)C1=C(C(=O)[O-])N(c2ccc(C)c(F)c2)C(=O)N[C@@H]1c1cc(C#N)cs1 ZINC000825813054 601376526 /nfs/dbraw/zinc/37/65/26/601376526.db2.gz CHNYVAFKXZDJJR-MRXNPFEDSA-N -1 0 399.403 3.266 20 30 GGEDRM Cc1cc(C(=O)[O-])cc(S(=O)(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)c1C ZINC000832865822 601384988 /nfs/dbraw/zinc/38/49/88/601384988.db2.gz SDRGVUPHEGDNQT-MOPGFXCFSA-N -1 0 398.484 3.462 20 30 GGEDRM Cc1cc(C(=O)[O-])cc(S(=O)(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)c1C ZINC000832865825 601385150 /nfs/dbraw/zinc/38/51/50/601385150.db2.gz SDRGVUPHEGDNQT-RTBURBONSA-N -1 0 398.484 3.462 20 30 GGEDRM Cc1c(C(=O)[O-])cccc1S(=O)(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000832851632 601385923 /nfs/dbraw/zinc/38/59/23/601385923.db2.gz BAEMHBOWMPJACE-QZTJIDSGSA-N -1 0 384.457 3.154 20 30 GGEDRM Cc1cc(S(=O)(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)ccc1C(=O)[O-] ZINC000832901601 601386087 /nfs/dbraw/zinc/38/60/87/601386087.db2.gz AZVPUESLOYPSBH-MOPGFXCFSA-N -1 0 384.457 3.154 20 30 GGEDRM N#CCOc1ccc(CNC(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)cc1 ZINC000833067953 601415104 /nfs/dbraw/zinc/41/51/04/601415104.db2.gz KWOPFSADONSHAZ-KRWDZBQOSA-N -1 0 387.823 3.258 20 30 GGEDRM N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCc1cccc(OCC(=O)[O-])c1 ZINC000833064649 601417461 /nfs/dbraw/zinc/41/74/61/601417461.db2.gz MFYJEHIOPWQFEH-UXHICEINSA-N -1 0 393.443 3.131 20 30 GGEDRM N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)NCc1cccc(OCC(=O)[O-])c1 ZINC000833064651 601417463 /nfs/dbraw/zinc/41/74/63/601417463.db2.gz MFYJEHIOPWQFEH-VQTJNVASSA-N -1 0 393.443 3.131 20 30 GGEDRM CC(=O)c1[nH]c(CC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c(C(=O)[O-])c1C ZINC000825929311 601427505 /nfs/dbraw/zinc/42/75/05/601427505.db2.gz PLFJUUIVSSNIOV-FUHWJXTLSA-N -1 0 393.443 3.065 20 30 GGEDRM CC(=O)c1[nH]c(CC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)c(C(=O)[O-])c1C ZINC000825929310 601427520 /nfs/dbraw/zinc/42/75/20/601427520.db2.gz PLFJUUIVSSNIOV-AEFFLSMTSA-N -1 0 393.443 3.065 20 30 GGEDRM N#Cc1cccc(-c2nnc(CN3C[C@H](C4CCCCC4)C[C@@H]3C(=O)[O-])o2)c1 ZINC000833074064 601430720 /nfs/dbraw/zinc/43/07/20/601430720.db2.gz NQIVBDMCYGBJRN-QZTJIDSGSA-N -1 0 380.448 3.464 20 30 GGEDRM N#Cc1ccc(-c2nnc(CN3C[C@H](C4CCCCC4)C[C@@H]3C(=O)[O-])o2)cc1 ZINC000833071182 601430927 /nfs/dbraw/zinc/43/09/27/601430927.db2.gz YCKCBNWAMKXMLU-QZTJIDSGSA-N -1 0 380.448 3.464 20 30 GGEDRM Cc1c(C(=O)[O-])c2cc(OC(=O)[C@H](C)Oc3ccc(C#N)cc3)ccc2n1C ZINC000832851348 601450577 /nfs/dbraw/zinc/45/05/77/601450577.db2.gz LQBVKNWMKGXIPH-ZDUSSCGKSA-N -1 0 378.384 3.430 20 30 GGEDRM N#Cc1ccc([C@H](OC(=O)c2ccn(-c3c(F)cccc3F)n2)C(=O)[O-])cc1 ZINC000833071617 601468676 /nfs/dbraw/zinc/46/86/76/601468676.db2.gz HVJCIHVPNGIQJT-KRWDZBQOSA-N -1 0 383.310 3.005 20 30 GGEDRM N#Cc1ccc([C@H](OC(=O)c2c(F)cccc2Br)C(=O)[O-])cc1 ZINC000833071677 601468734 /nfs/dbraw/zinc/46/87/34/601468734.db2.gz IFYWYHUSGYIDOD-AWEZNQCLSA-N -1 0 378.153 3.443 20 30 GGEDRM Cn1cc(S(=O)(=O)Oc2ccc(Oc3ccc(C#N)cc3)cc2)cc1C(=O)[O-] ZINC000833055248 601478038 /nfs/dbraw/zinc/47/80/38/601478038.db2.gz DUPAVDMSUKARFM-UHFFFAOYSA-N -1 0 398.396 3.155 20 30 GGEDRM CN(C[C@@H]1CCOC1)C(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC000830722485 601478108 /nfs/dbraw/zinc/47/81/08/601478108.db2.gz DHLLVXAFSPEXRH-SFHVURJKSA-N -1 0 378.428 3.285 20 30 GGEDRM N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)C(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000833064115 601478203 /nfs/dbraw/zinc/47/82/03/601478203.db2.gz FISGFZITITZUDW-MSOLQXFVSA-N -1 0 392.415 3.013 20 30 GGEDRM C=CCc1ccc(OCC(=O)N2CCc3ccccc3[C@@H]2C(=O)[O-])c(OC)c1 ZINC000262554319 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C[C@@H]1CN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)C[C@@H]1C(=O)[O-] ZINC000828379195 601791733 /nfs/dbraw/zinc/79/17/33/601791733.db2.gz XRMAYMITDUNKQM-DYVFJYSZSA-N -1 0 397.406 3.461 20 30 GGEDRM C=CCn1c(-c2ccco2)nn(CN2CCC(CCC(=O)[O-])CC2)c1=S ZINC000825705945 601797926 /nfs/dbraw/zinc/79/79/26/601797926.db2.gz VXZQKIVTHQAAHQ-UHFFFAOYSA-N -1 0 376.482 3.394 20 30 GGEDRM C=CCn1c(-c2ccncc2)nn(CN2CCC(CCC(=O)[O-])CC2)c1=S ZINC000825705463 601799080 /nfs/dbraw/zinc/79/90/80/601799080.db2.gz JAKICFIKWHBVBT-UHFFFAOYSA-N -1 0 387.509 3.196 20 30 GGEDRM N#CCCN(CC(=O)Nc1sc2c(c1C(=O)[O-])CCCC2)Cc1ccco1 ZINC000833066115 601799533 /nfs/dbraw/zinc/79/95/33/601799533.db2.gz WKHMUHVWXNIZLE-UHFFFAOYSA-N -1 0 387.461 3.272 20 30 GGEDRM CC(C)Cc1ccc([C@@H]2NC(=S)NC(C(=O)[O-])=C2C(=O)c2ccco2)cc1 ZINC000826912968 601825273 /nfs/dbraw/zinc/82/52/73/601825273.db2.gz MCJYOQDOELDSSH-INIZCTEOSA-N -1 0 384.457 3.219 20 30 GGEDRM Cc1ccc(N(CCC#N)S(=O)(=O)c2cc(F)c(F)c(C(=O)[O-])c2)cc1 ZINC000751142784 601840844 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GGEDRM Cc1ccc(-c2cccc([C@@H]3NC(=S)NC(C(=O)[O-])=C3C(=O)C3CC3)c2)cc1 ZINC000832906179 601917326 /nfs/dbraw/zinc/91/73/26/601917326.db2.gz RWKDEHHWGQHDTK-SFHVURJKSA-N -1 0 392.480 3.499 20 30 GGEDRM CC(C)[C@](C)(C#N)NC(=O)CNc1cc(C(=O)[O-])ccc1OCc1ccccc1 ZINC000826676865 601963588 /nfs/dbraw/zinc/96/35/88/601963588.db2.gz LVOAHTCOOVEIPH-QFIPXVFZSA-N -1 0 395.459 3.430 20 30 GGEDRM C[C@](C#N)(NC(=O)CNc1cc(C(=O)[O-])ccc1OCc1ccccc1)C1CC1 ZINC000825967710 601963843 /nfs/dbraw/zinc/96/38/43/601963843.db2.gz ZEIHZOIODFKGDI-JOCHJYFZSA-N -1 0 393.443 3.184 20 30 GGEDRM Cc1cc(NC(=O)c2cc(NC(=O)[O-])cc(C(F)(F)F)c2)n(CCC#N)n1 ZINC000832896065 601986013 /nfs/dbraw/zinc/98/60/13/601986013.db2.gz GFWNOABHCBKTNF-UHFFFAOYSA-N -1 0 381.314 3.466 20 30 GGEDRM C[C@@H](Oc1ccc(C#N)cc1)C(=O)N(C)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000827879193 602015453 /nfs/dbraw/zinc/01/54/53/602015453.db2.gz MCYIYTJEPHUTPL-QGHHPUGFSA-N -1 0 392.333 3.027 20 30 GGEDRM N#Cc1cc(C(F)(F)F)ccc1C(=O)OCc1cn2cccc(C(=O)[O-])c2n1 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C=CCn1c(-c2cccnc2)nn(CN2CCc3cc(C(=O)[O-])ccc32)c1=S ZINC000833379511 604504057 /nfs/dbraw/zinc/50/40/57/604504057.db2.gz DMWMQMJOSPWPGH-UHFFFAOYSA-N -1 0 393.472 3.380 20 30 GGEDRM C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(Cc2cccc(C(=O)[O-])c2C#N)C1=O ZINC000833573479 604547130 /nfs/dbraw/zinc/54/71/30/604547130.db2.gz JCPKIHXQABEYGE-QHCPKHFHSA-N -1 0 399.406 3.377 20 30 GGEDRM N#Cc1c(Cn2cnc3c(-c4ccccc4)nsc3c2=O)cccc1C(=O)[O-] ZINC000833760933 604549374 /nfs/dbraw/zinc/54/93/74/604549374.db2.gz JSYKLPHUOUABKR-UHFFFAOYSA-N -1 0 388.408 3.138 20 30 GGEDRM C=CCn1c(SCc2cccc(C(=O)[O-])c2C#N)nc2ccccc2c1=O ZINC000833380469 604550074 /nfs/dbraw/zinc/55/00/74/604550074.db2.gz GSPCLKAQQQNXFS-UHFFFAOYSA-N -1 0 377.425 3.445 20 30 GGEDRM N#Cc1c(Cn2cnc3sc4c(c3c2=O)CCCCC4)cccc1C(=O)[O-] ZINC000833760859 604551479 /nfs/dbraw/zinc/55/14/79/604551479.db2.gz GKALUNJVEPMQSP-UHFFFAOYSA-N -1 0 379.441 3.345 20 30 GGEDRM C=C(C)[C@H](CC(=O)N[C@](C)(C(=O)[O-])c1cccc(Br)c1)OCC ZINC000833366636 604555435 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C[C@@H](C(=O)[O-])[C@H](NC(=O)CCCC(=O)Nc1ccccc1C#N)c1ccccc1 ZINC000826031025 604600788 /nfs/dbraw/zinc/60/07/88/604600788.db2.gz BPKWHBUXADQYOE-VFNWGFHPSA-N -1 0 393.443 3.245 20 30 GGEDRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ncc(C#N)cc2Cl)cc1 ZINC000832777577 604600805 /nfs/dbraw/zinc/60/08/05/604600805.db2.gz SLGIXWPGXXHLPB-CQSZACIVSA-N -1 0 375.837 3.274 20 30 GGEDRM CN(C[C@H]1CCCN(Cc2cccc(C(=O)[O-])c2C#N)C1)C(=O)OC(C)(C)C ZINC000833693342 604605989 /nfs/dbraw/zinc/60/59/89/604605989.db2.gz UKQYYSTZLDDNGG-OAHLLOKOSA-N -1 0 387.480 3.335 20 30 GGEDRM C[C@H]1CCCN(Cc2cccc(C(=O)[O-])c2C#N)[C@H]1CNC(=O)OC(C)(C)C ZINC000833612799 604613773 /nfs/dbraw/zinc/61/37/73/604613773.db2.gz BYELIUAWXDDKKL-KSSFIOAISA-N -1 0 387.480 3.382 20 30 GGEDRM COc1cc(OC)cc([C@@H](OC(=O)C(C)(C)Oc2ccc(C#N)cc2)C(=O)[O-])c1 ZINC000832065236 604616280 /nfs/dbraw/zinc/61/62/80/604616280.db2.gz IJNXRTXVNRMYEU-GOSISDBHSA-N -1 0 399.399 3.102 20 30 GGEDRM C#CC[C@@H](NS(=O)(=O)c1cc(C(F)(F)F)ccc1C(=O)[O-])c1ccccc1 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C[C@@H](CSc1ccc(F)cc1)C(=O)[N-]S(=O)(=O)Cc1cccc(C#N)c1 ZINC000120865862 1413931274 /nfs/dbraw/zinc/93/12/74/1413931274.db2.gz HGJZHDZHXYLCHI-ZDUSSCGKSA-N -1 0 392.477 3.072 20 30 GGEDRM N#Cc1ccc(Cc2cnc([N-]S(=O)(=O)c3ccc4c(c3)CCO4)s2)cc1 ZINC000120920917 1413949042 /nfs/dbraw/zinc/94/90/42/1413949042.db2.gz QRTZGDYTKFWALZ-UHFFFAOYSA-N -1 0 397.481 3.341 20 30 GGEDRM CCCC(=O)N1CCC[C@H](C(=O)C(C#N)=C([O-])c2c(C)[nH]c3ccccc32)C1 ZINC000120981942 1413967063 /nfs/dbraw/zinc/96/70/63/1413967063.db2.gz JHAYHLQIVOMLFX-RDJZCZTQSA-N -1 0 379.460 3.407 20 30 GGEDRM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2nc3c(cccc3C)s2)c1 ZINC000121002461 1413973681 /nfs/dbraw/zinc/97/36/81/1413973681.db2.gz RJVQDUMCNBQKIR-UHFFFAOYSA-N -1 0 387.486 3.321 20 30 GGEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)CCNC(=O)c1cccs1 ZINC000121019185 1413978545 /nfs/dbraw/zinc/97/85/45/1413978545.db2.gz IAPBBZKHOOHXNJ-AWEZNQCLSA-N -1 0 379.441 3.250 20 30 GGEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 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Cc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)cc1OC(F)F ZINC000121585821 1414187974 /nfs/dbraw/zinc/18/79/74/1414187974.db2.gz DKJHALWQVAKQST-UHFFFAOYSA-N -1 0 383.332 3.177 20 30 GGEDRM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(F)cc1OCC1CC1 ZINC000121671846 1414218437 /nfs/dbraw/zinc/21/84/37/1414218437.db2.gz HDYQXDKBVKQLEQ-UHFFFAOYSA-N -1 0 391.380 3.195 20 30 GGEDRM CN(C)c1ccc(C#N)c([N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)c1 ZINC000121778289 1414254338 /nfs/dbraw/zinc/25/43/38/1414254338.db2.gz BFZWDULMLDEWRX-UHFFFAOYSA-N -1 0 394.378 3.316 20 30 GGEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1ccn(-c2cccc(C(F)(F)F)c2)n1 ZINC000121834592 1414273069 /nfs/dbraw/zinc/27/30/69/1414273069.db2.gz VKLQSWZVEREELW-OAHLLOKOSA-N -1 0 390.365 3.272 20 30 GGEDRM CC(C)c1ccc(C(=O)[N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)cn1 ZINC000121853573 1414278815 /nfs/dbraw/zinc/27/88/15/1414278815.db2.gz OAXHFUAIKMZHDL-UHFFFAOYSA-N -1 0 397.378 3.214 20 30 GGEDRM CCOCc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)ccc1OC 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ZINC000177606185 1428809273 /nfs/dbraw/zinc/80/92/73/1428809273.db2.gz UFIDDCBQYYNRDW-UHFFFAOYSA-N -1 0 376.865 3.285 20 30 GGEDRM C[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1)c1ccccc1 ZINC000122542611 1414495314 /nfs/dbraw/zinc/49/53/14/1414495314.db2.gz CCGNLCOZPAYWHY-LLVKDONJSA-N -1 0 382.363 3.186 20 30 GGEDRM CNC(=O)c1cc(C)ccc1[N-]S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000177623231 1428814098 /nfs/dbraw/zinc/81/40/98/1428814098.db2.gz HQIOWMSFNWRFNJ-UHFFFAOYSA-N -1 0 397.378 3.046 20 30 GGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cnn(CC(F)(F)F)c2)cc1C(F)(F)F ZINC000177623103 1428814141 /nfs/dbraw/zinc/81/41/41/1428814141.db2.gz SBNANSGRNSRBDR-UHFFFAOYSA-N -1 0 398.288 3.137 20 30 GGEDRM Cn1ccnc1C(=O)C(C#N)=C([O-])c1ccc(Oc2cccc(F)c2C#N)cc1 ZINC000122630108 1414523553 /nfs/dbraw/zinc/52/35/53/1414523553.db2.gz YSCQNZNSJYUVLG-MRXNPFEDSA-N -1 0 388.358 3.429 20 30 GGEDRM Cn1ccnc1C([O-])=C(C#N)C(=O)CCSc1ccc(Br)cc1 ZINC000122724888 1414549073 /nfs/dbraw/zinc/54/90/73/1414549073.db2.gz ITBQQQFPLSBJPQ-CYBMUJFWSA-N -1 0 392.278 3.257 20 30 GGEDRM Cn1ccnc1C(=O)C(C#N)=C([O-])c1cccc(COc2ccccc2C#N)c1 ZINC000122743525 1414554154 /nfs/dbraw/zinc/55/41/54/1414554154.db2.gz XHKDCSZWVXAIFT-SFHVURJKSA-N -1 0 384.395 3.076 20 30 GGEDRM Cc1nc(Cc2ccc(F)cc2)sc1C([O-])=C(C#N)C(=O)c1nccn1C ZINC000122775072 1414561304 /nfs/dbraw/zinc/56/13/04/1414561304.db2.gz NYLFDGQUZYAAAB-AWEZNQCLSA-N -1 0 382.420 3.120 20 30 GGEDRM Cn1ccnc1C(=O)C(C#N)=C([O-])c1ccc(OCc2ccccc2C#N)cc1 ZINC000122795136 1414566646 /nfs/dbraw/zinc/56/66/46/1414566646.db2.gz ZUKDBCSILLVTTQ-IBGZPJMESA-N -1 0 384.395 3.076 20 30 GGEDRM C=CCOC(=O)c1sc2[nH]c(Cn3cnc4ccccc43)nc(=O)c2c1C ZINC000122806866 1414569922 /nfs/dbraw/zinc/56/99/22/1414569922.db2.gz YVNPDDCGLSERBC-UHFFFAOYSA-N -1 0 380.429 3.034 20 30 GGEDRM Cn1ccnc1C([O-])=C(C#N)C(=O)CCc1cc(Cl)ccc1Br ZINC000122912194 1414595107 /nfs/dbraw/zinc/59/51/07/1414595107.db2.gz AVNKXRWFAICMGF-GFCCVEGCSA-N -1 0 394.656 3.360 20 30 GGEDRM Cn1ccnc1C(=O)C(C#N)=C([O-])c1cccc(-n2nccc2-c2ccccc2)c1 ZINC000122938297 1414601485 /nfs/dbraw/zinc/60/14/85/1414601485.db2.gz ISAPTRSMDKLASF-IBGZPJMESA-N -1 0 395.422 3.478 20 30 GGEDRM Cn1ccnc1C(=O)C(C#N)=C([O-])c1cccc(NC(=O)C2CCCCC2)c1 ZINC000122959497 1414605824 /nfs/dbraw/zinc/60/58/24/1414605824.db2.gz VTOLQZSGFPZPBW-QGZVFWFLSA-N -1 0 378.432 3.144 20 30 GGEDRM Cn1ccnc1C(=O)C(C#N)=C([O-])c1cccc(NC(=O)c2ccc(F)cc2)c1 ZINC000123045449 1414626945 /nfs/dbraw/zinc/62/69/45/1414626945.db2.gz VQOLALWOPXKOBZ-KRWDZBQOSA-N -1 0 390.374 3.017 20 30 GGEDRM CCOc1ccc(-c2nc(C)c(C([O-])=C(C#N)C(=O)c3nccn3C)s2)cc1 ZINC000123056972 1414629366 /nfs/dbraw/zinc/62/93/66/1414629366.db2.gz VAVAAPCCPFDYMM-OAHLLOKOSA-N -1 0 394.456 3.456 20 30 GGEDRM C[C@@H](Oc1ccccc1Cc1ccccc1)C(=O)C(C#N)=C([O-])c1nccn1C ZINC000123111412 1414645057 /nfs/dbraw/zinc/64/50/57/1414645057.db2.gz PFDQLQSSJMOFQZ-APWZRJJASA-N -1 0 387.439 3.370 20 30 GGEDRM Cn1ccnc1C(=O)C(C#N)=C([O-])c1cccc(-c2noc(CC(C)(C)C)n2)c1 ZINC000123126224 1414648167 /nfs/dbraw/zinc/64/81/67/1414648167.db2.gz UAKFFHGQOGJCBC-OAHLLOKOSA-N -1 0 391.431 3.264 20 30 GGEDRM CC(C)(C)n1cc(C#N)c([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)n1 ZINC000123150309 1414654349 /nfs/dbraw/zinc/65/43/49/1414654349.db2.gz RGAYUKYRUTZXDO-UHFFFAOYSA-N -1 0 397.382 3.201 20 30 GGEDRM CC(C)(C)n1cc(C#N)c([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)n1 ZINC000123167486 1414658589 /nfs/dbraw/zinc/65/85/89/1414658589.db2.gz RWOVJBTXKRUPNF-UHFFFAOYSA-N -1 0 397.382 3.201 20 30 GGEDRM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3nn(C(C)(C)C)cc3C#N)cc(Cl)c2O1 ZINC000123198624 1414666426 /nfs/dbraw/zinc/66/64/26/1414666426.db2.gz UZYGJLRNBILBFK-JTQLQIEISA-N -1 0 394.884 3.287 20 30 GGEDRM Cc1cc(S(=O)(=O)[N-]c2nn(C(C)(C)C)cc2C#N)ccc1OC(C)C ZINC000123208486 1414668307 /nfs/dbraw/zinc/66/83/07/1414668307.db2.gz RXVILUDATBBHPT-UHFFFAOYSA-N -1 0 376.482 3.406 20 30 GGEDRM C=CCn1c(=O)c2ccc(C(=O)N3CCCC[C@H](SC)C3)cc2[n-]c1=S ZINC000123215905 1414670442 /nfs/dbraw/zinc/67/04/42/1414670442.db2.gz QYBSXUJKYDGWRF-AWEZNQCLSA-N -1 0 389.546 3.229 20 30 GGEDRM Cn1ccnc1C([O-])=C(C#N)C(=O)CCc1ncc(-c2ccccc2Cl)o1 ZINC000123258619 1414680364 /nfs/dbraw/zinc/68/03/64/1414680364.db2.gz HHQPHRRJEXOWNH-ZDUSSCGKSA-N -1 0 382.807 3.253 20 30 GGEDRM Cn1ccnc1C([O-])=C(C#N)C(=O)CCCc1ccc(Br)s1 ZINC000123263347 1414681725 /nfs/dbraw/zinc/68/17/25/1414681725.db2.gz HIJLPIGEYVMSAQ-NSHDSACASA-N -1 0 380.267 3.159 20 30 GGEDRM Cn1ccnc1C(=O)C(C#N)=C([O-])c1nc(-c2ccccc2)n2c1CCCCC2 ZINC000123313581 1414694417 /nfs/dbraw/zinc/69/44/17/1414694417.db2.gz FTEKAJVBQSCXDX-INIZCTEOSA-N -1 0 387.443 3.215 20 30 GGEDRM C[C@H](Cc1ccc(F)c(Br)c1)C(=O)C(C#N)=C([O-])c1nccn1C ZINC000123380276 1414711392 /nfs/dbraw/zinc/71/13/92/1414711392.db2.gz HGOURYPIOSCEFY-PWSUYJOCSA-N -1 0 392.228 3.092 20 30 GGEDRM C[C@H](CSCc1ccccc1)C(=O)[N-]S(=O)(=O)Cc1cccc(C#N)c1 ZINC000123437287 1414731378 /nfs/dbraw/zinc/73/13/78/1414731378.db2.gz DOOCJPTVSMPPOL-OAHLLOKOSA-N -1 0 388.514 3.074 20 30 GGEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1ccn(-c2cc(C)ccc2OC)n1 ZINC000123677574 1414808076 /nfs/dbraw/zinc/80/80/76/1414808076.db2.gz MPNAZXQMDWTVNV-MRXNPFEDSA-N -1 0 382.464 3.208 20 30 GGEDRM Cc1ccccc1-n1nc(C([O-])=C(C#N)C(=O)NCc2ccccc2)c2c1CCC2 ZINC000123685390 1414809908 /nfs/dbraw/zinc/80/99/08/1414809908.db2.gz LYDXCOVVGKKACM-IBGZPJMESA-N -1 0 398.466 3.308 20 30 GGEDRM C[C@H]([N-]S(=O)(=O)c1cccc(F)c1C#N)c1nc(C2CCCCC2)no1 ZINC000123912129 1414848599 /nfs/dbraw/zinc/84/85/99/1414848599.db2.gz JOYCMEGJPYQUDU-NSHDSACASA-N -1 0 378.429 3.168 20 30 GGEDRM Cc1ccc(S(=O)(=O)[N-]c2cc(N(C)C)ccc2C#N)c(Br)c1 ZINC000123994873 1414865033 /nfs/dbraw/zinc/86/50/33/1414865033.db2.gz MGJQUQPJLAHYKF-UHFFFAOYSA-N -1 0 394.294 3.496 20 30 GGEDRM N#Cc1cc(F)c(S(=O)(=O)[N-][C@H](c2ccccc2)c2ccccn2)c(F)c1 ZINC000124030332 1414872394 /nfs/dbraw/zinc/87/23/94/1414872394.db2.gz QLQIHXVVUODTMJ-GOSISDBHSA-N -1 0 385.395 3.299 20 30 GGEDRM C=CCn1c(=O)c2ccc(C(=O)Nc3cccc(OCCF)c3)cc2[n-]c1=S ZINC000124115589 1414888178 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379.388 3.232 20 30 GGEDRM N#Cc1cc(F)c(S(=O)(=O)[N-]c2cccc(Oc3cnccn3)c2)c(F)c1 ZINC000128780576 1416067070 /nfs/dbraw/zinc/06/70/70/1416067070.db2.gz BSTSCOZUNFJQTG-UHFFFAOYSA-N -1 0 388.355 3.220 20 30 GGEDRM COc1ccc(CCNC(=O)C(C#N)=C([O-])c2ccc(Cl)cc2)cc1OC ZINC000128844283 1416083189 /nfs/dbraw/zinc/08/31/89/1416083189.db2.gz PPXVUAONAIPPDC-MRXNPFEDSA-N -1 0 386.835 3.039 20 30 GGEDRM COc1ccc(CCNC(=O)C(C#N)=C([O-])c2cc(C)cc(C)c2)cc1OC ZINC000128852050 1416084735 /nfs/dbraw/zinc/08/47/35/1416084735.db2.gz OUKVABXOWCGFEM-SFHVURJKSA-N -1 0 380.444 3.002 20 30 GGEDRM COc1ccc(CCNC(=O)C(C#N)=C([O-])c2cc(C)cc(C)c2)cc1OC ZINC000128851799 1416084789 /nfs/dbraw/zinc/08/47/89/1416084789.db2.gz OUKVABXOWCGFEM-GOSISDBHSA-N -1 0 380.444 3.002 20 30 GGEDRM Cc1ccc(S(C)(=O)=O)cc1C([O-])=C(C#N)c1nc(-c2ccncc2)cs1 ZINC000128861251 1416086825 /nfs/dbraw/zinc/08/68/25/1416086825.db2.gz GUMNUMIYHNEDDW-INIZCTEOSA-N -1 0 397.481 3.407 20 30 GGEDRM CS(=O)(=O)c1cccc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)c1 ZINC000128860106 1416086838 /nfs/dbraw/zinc/08/68/38/1416086838.db2.gz UNJSRJQHECVMNF-OAHLLOKOSA-N -1 0 383.454 3.099 20 30 GGEDRM COc1ccc(OC(F)F)c([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)c1 ZINC000128943832 1416110144 /nfs/dbraw/zinc/11/01/44/1416110144.db2.gz JYYMBXDVYRFVSZ-UHFFFAOYSA-N -1 0 390.314 3.247 20 30 GGEDRM N#CCCCOc1cccc([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)c1 ZINC000129091559 1416142568 /nfs/dbraw/zinc/14/25/68/1416142568.db2.gz LTLMTDMRJSFPCE-UHFFFAOYSA-N -1 0 377.372 3.320 20 30 GGEDRM Cc1cc([N-]S(=O)(=O)c2cccc(C(=O)Nc3cccc(C#N)c3C)c2)no1 ZINC000178390504 1429067530 /nfs/dbraw/zinc/06/75/30/1429067530.db2.gz RPVAFFHMDSGECJ-UHFFFAOYSA-N -1 0 396.428 3.216 20 30 GGEDRM Cc1nc(COc2ccc(Cl)cc2)sc1C([O-])=C(C#N)C(=O)NC1CC1 ZINC000129292796 1416186681 /nfs/dbraw/zinc/18/66/81/1416186681.db2.gz SCCRQIFIPLTUDA-AWEZNQCLSA-N -1 0 389.864 3.285 20 30 GGEDRM CCN(CC)C(=O)c1ccccc1[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000129297586 1416187302 /nfs/dbraw/zinc/18/73/02/1416187302.db2.gz 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CC(C)(Oc1ccc(C#N)cc1)C(=O)[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000129674776 1416246700 /nfs/dbraw/zinc/24/67/00/1416246700.db2.gz DPRDKWGJOGWYJS-UHFFFAOYSA-N -1 0 394.452 3.374 20 30 GGEDRM N#CC(=C([O-])c1ccc(C(N)=O)nc1)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000129883991 1416279541 /nfs/dbraw/zinc/27/95/41/1416279541.db2.gz OFJQKMOGLRNQIB-ZDUSSCGKSA-N -1 0 382.832 3.447 20 30 GGEDRM C=C[C@H](CC(=O)[N-]S(=O)(=O)c1cnn(-c2ccccc2F)c1)c1ccccc1 ZINC000129909842 1416283434 /nfs/dbraw/zinc/28/34/34/1416283434.db2.gz BPQIARZAKLZIGU-OAHLLOKOSA-N -1 0 399.447 3.176 20 30 GGEDRM COc1ccccc1NC(=O)C(C#N)=C([O-])c1sccc1Br ZINC000129960210 1416291733 /nfs/dbraw/zinc/29/17/33/1416291733.db2.gz NWQNCAKLQUHCQO-VIFPVBQESA-N -1 0 379.235 3.480 20 30 GGEDRM Cc1ccc([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)cc1C(=O)NC(C)C ZINC000129971398 1416293540 /nfs/dbraw/zinc/29/35/40/1416293540.db2.gz YSLJWHZCBPIBRB-UHFFFAOYSA-N -1 0 393.415 3.084 20 30 GGEDRM N#CCC1(COC(=O)c2cccc([N-]S(=O)(=O)c3cccs3)c2)CC1 ZINC000130034803 1416306330 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20 30 GGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(OC(F)(F)F)c2)c([N+](=O)[O-])c1 ZINC000130321188 1416357656 /nfs/dbraw/zinc/35/76/56/1416357656.db2.gz PZPVUJPTAIMVAG-UHFFFAOYSA-N -1 0 387.295 3.166 20 30 GGEDRM N#Cc1ccc(OC2CCN(c3ccc4cc(-c5nn[n-]n5)ccc4n3)CC2)cc1 ZINC000826386307 1429085328 /nfs/dbraw/zinc/08/53/28/1429085328.db2.gz YMRLCTZFGHPRBS-UHFFFAOYSA-N -1 0 397.442 3.334 20 30 GGEDRM C[C@H](OC(=O)c1ccc2c(c1)[n-]c(=S)n(Cc1ccco1)c2=O)C(C)(C)C#N ZINC000130822316 1416460164 /nfs/dbraw/zinc/46/01/64/1416460164.db2.gz JOVUUMGTULXBDU-LBPRGKRZSA-N -1 0 397.456 3.422 20 30 GGEDRM Fc1ccc(NN=Cc2ccc(-c3nn[n-]n3)cc2F)c(Br)c1 ZINC000822782908 1429106342 /nfs/dbraw/zinc/10/63/42/1429106342.db2.gz LPVVVTXAALMLOH-UHFFFAOYSA-N -1 0 379.168 3.353 20 30 GGEDRM C#Cc1cccc(N(Cc2cccs2)C(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000735391968 1429110562 /nfs/dbraw/zinc/11/05/62/1429110562.db2.gz ZIYAWJHUPWHBBE-UHFFFAOYSA-N -1 0 386.440 3.152 20 30 GGEDRM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1nc(SCc2ccccc2)n[nH]1 ZINC000178569779 1429109409 /nfs/dbraw/zinc/10/94/09/1429109409.db2.gz XFROEDBNVRPYIH-UHFFFAOYSA-N -1 0 385.474 3.078 20 30 GGEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1ccc(Br)c(C(F)(F)F)c1 ZINC000131954335 1416658521 /nfs/dbraw/zinc/65/85/21/1416658521.db2.gz ORDOGYJBOQFKJE-SNVBAGLBSA-N -1 0 389.171 3.413 20 30 GGEDRM Cc1cccc(-c2cncc(C(=O)[N-]S(=O)(=O)Cc3cccc(C#N)c3)c2)c1 ZINC000132152088 1416708480 /nfs/dbraw/zinc/70/84/80/1416708480.db2.gz ONJALOGIEQPUCO-UHFFFAOYSA-N -1 0 391.452 3.189 20 30 GGEDRM O=C1[C@H](/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])CCN1c1c(F)cccc1F ZINC000132474638 1416768431 /nfs/dbraw/zinc/76/84/31/1416768431.db2.gz LAGWGUFACFBPPR-RTYWOJFRSA-N -1 0 395.749 3.456 20 30 GGEDRM O=C1[C@@H](/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])CCN1c1c(F)cccc1F ZINC000132474404 1416768447 /nfs/dbraw/zinc/76/84/47/1416768447.db2.gz LAGWGUFACFBPPR-OOMAIKSQSA-N -1 0 395.749 3.456 20 30 GGEDRM COC(=O)c1ccc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)o1 ZINC000132657658 1416800635 /nfs/dbraw/zinc/80/06/35/1416800635.db2.gz DAXMZFLNRGZDGT-VIFPVBQESA-N -1 0 381.171 3.334 20 30 GGEDRM C=C(C)COCCNC(=O)c1sccc1S(=O)(=O)[N-]c1ccc(C)cc1 ZINC000132726398 1416808721 /nfs/dbraw/zinc/80/87/21/1416808721.db2.gz XRZISPONJSLOOX-UHFFFAOYSA-N -1 0 394.518 3.180 20 30 GGEDRM Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1ccc(OCc2cccc(C#N)c2)cc1 ZINC000133294122 1416875468 /nfs/dbraw/zinc/87/54/68/1416875468.db2.gz QJQXBAXIMXXFAN-UHFFFAOYSA-N -1 0 396.472 3.288 20 30 GGEDRM N#Cc1cnc2ccccc2c1N1CCN(C(=O)c2ccc([O-])c(Cl)c2)CC1 ZINC000133308432 1416877013 /nfs/dbraw/zinc/87/70/13/1416877013.db2.gz ZJDQCMMYPABEQW-UHFFFAOYSA-N -1 0 392.846 3.428 20 30 GGEDRM CCN(CCC#N)C(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)c(C)c1 ZINC000133491422 1416894992 /nfs/dbraw/zinc/89/49/92/1416894992.db2.gz DBDBPRFAZROQBP-UHFFFAOYSA-N -1 0 389.452 3.311 20 30 GGEDRM CNC(=O)C(C#N)=C([O-])c1ccc(COc2ccccc2Br)cc1 ZINC000133535123 1416899169 /nfs/dbraw/zinc/89/91/69/1416899169.db2.gz CELGXBXGLDLOTB-CQSZACIVSA-N -1 0 387.233 3.097 20 30 GGEDRM N#Cc1cccc(S(=O)(=O)[N-]C(=O)c2ccc(CCC(F)(F)F)cc2)c1 ZINC000178701549 1429145452 /nfs/dbraw/zinc/14/54/52/1429145452.db2.gz WGMHZASQGHBVHI-UHFFFAOYSA-N -1 0 382.363 3.172 20 30 GGEDRM CC(C)(C)n1cc(C#N)c([N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2)n1 ZINC000178733093 1429155953 /nfs/dbraw/zinc/15/59/53/1429155953.db2.gz ODLRDSZQEDCHOY-UHFFFAOYSA-N -1 0 388.371 3.209 20 30 GGEDRM Cc1ccc(-c2ncco2)cc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000134688722 1417112614 /nfs/dbraw/zinc/11/26/14/1417112614.db2.gz MTGVDZQDVNRXMY-UHFFFAOYSA-N -1 0 384.373 3.231 20 30 GGEDRM C[C@H]1CN(c2ccc([N-]S(=O)(=O)c3cccc(Cl)c3C#N)cc2)CCO1 ZINC000135327110 1417207993 /nfs/dbraw/zinc/20/79/93/1417207993.db2.gz SCJVTYCVVUWHJF-ZDUSSCGKSA-N -1 0 391.880 3.238 20 30 GGEDRM COc1ccc(-c2nnc([N-]S(=O)(=O)c3cc(C#N)ccc3C)s2)cc1 ZINC000135981582 1417284121 /nfs/dbraw/zinc/28/41/21/1417284121.db2.gz RCNOAZPRRLBJGJ-UHFFFAOYSA-N -1 0 386.458 3.195 20 30 GGEDRM Cc1cc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(C#N)c2)ccc1[N+](=O)[O-] ZINC000178804237 1429175853 /nfs/dbraw/zinc/17/58/53/1429175853.db2.gz KTZQHWVBLCOJBO-UHFFFAOYSA-N -1 0 375.406 3.363 20 30 GGEDRM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]c1ccc(C#N)cc1F ZINC000178810465 1429177249 /nfs/dbraw/zinc/17/72/49/1429177249.db2.gz QSUOPHMFQPIUSW-UHFFFAOYSA-N -1 0 390.417 3.499 20 30 GGEDRM COc1ccc(CCNC(=O)C(C#N)=C([O-])c2ccc(Cl)c(OC)c2)cc1 ZINC000136867980 1417351656 /nfs/dbraw/zinc/35/16/56/1417351656.db2.gz HSWSGKDAULSVQH-MRXNPFEDSA-N -1 0 386.835 3.039 20 30 GGEDRM COc1ccc(CCNC(=O)C(C#N)=C([O-])c2ccc(Cl)c(OC)c2)cc1 ZINC000136867935 1417351759 /nfs/dbraw/zinc/35/17/59/1417351759.db2.gz HSWSGKDAULSVQH-INIZCTEOSA-N -1 0 386.835 3.039 20 30 GGEDRM Cc1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccccn2)nc(-c2ccc(Cl)cc2)n1 ZINC000137225832 1417376256 /nfs/dbraw/zinc/37/62/56/1417376256.db2.gz JZBWGLPPVDJILW-OAHLLOKOSA-N -1 0 391.818 3.462 20 30 GGEDRM Cc1cccc(S(=O)(=O)[N-]c2ccccc2NC(=O)N2CCCC2)c1C#N ZINC000137275877 1417378935 /nfs/dbraw/zinc/37/89/35/1417378935.db2.gz WNZAEQBYZKTGGH-UHFFFAOYSA-N -1 0 384.461 3.295 20 30 GGEDRM CC(=O)N(Cc1ccc([N-]S(=O)(=O)c2cccc(C)c2C#N)cc1)C1CC1 ZINC000137523540 1417389484 /nfs/dbraw/zinc/38/94/84/1417389484.db2.gz FHSCTFZYFSLLJO-UHFFFAOYSA-N -1 0 383.473 3.178 20 30 GGEDRM Cc1cccc(S(=O)(=O)[N-]c2ccc(OCC3CCOCC3)cc2)c1C#N ZINC000137526662 1417390390 /nfs/dbraw/zinc/39/03/90/1417390390.db2.gz WONMPHYHETWWBK-UHFFFAOYSA-N -1 0 386.473 3.473 20 30 GGEDRM COc1ccc([C@@H](NC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)C(C)C)cc1 ZINC000137639840 1417392035 /nfs/dbraw/zinc/39/20/35/1417392035.db2.gz LWMZBBRGAOZSPM-NRFANRHFSA-N -1 0 381.476 3.318 20 30 GGEDRM N#CC(C(=O)Nc1ccccn1)=C([O-])c1csc(COc2ccc(F)cc2)n1 ZINC000138889162 1417440061 /nfs/dbraw/zinc/44/00/61/1417440061.db2.gz FNZQFIRLSNQUCL-AWEZNQCLSA-N -1 0 396.403 3.217 20 30 GGEDRM CC(C)(C)c1ncc([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)cn1 ZINC000139821291 1417476064 /nfs/dbraw/zinc/47/60/64/1417476064.db2.gz CCLRBIXJMZEVHX-UHFFFAOYSA-N -1 0 384.383 3.465 20 30 GGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000140221370 1417492778 /nfs/dbraw/zinc/49/27/78/1417492778.db2.gz UNIAAJMRWORVNA-AWEZNQCLSA-N -1 0 386.433 3.347 20 30 GGEDRM COc1cc(/C=C/C(=O)c2nnn(-c3ccccc3)c2C)cc([N+](=O)[O-])c1[O-] ZINC000147683429 1417751891 /nfs/dbraw/zinc/75/18/91/1417751891.db2.gz CDKGKZXRRFVVBF-CMDGGOBGSA-N -1 0 380.360 3.094 20 30 GGEDRM C=CC[C@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1Br)C(=O)[O-] ZINC000150188373 1417786470 /nfs/dbraw/zinc/78/64/70/1417786470.db2.gz DTUONTBFUDHGBK-KWQFWETISA-N -1 0 376.634 3.015 20 30 GGEDRM C=CC[C@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Br)C(=O)[O-] ZINC000150188570 1417786545 /nfs/dbraw/zinc/78/65/45/1417786545.db2.gz DTUONTBFUDHGBK-KCJUWKMLSA-N -1 0 376.634 3.015 20 30 GGEDRM COC(=O)Cc1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)c1 ZINC000150777984 1417805300 /nfs/dbraw/zinc/80/53/00/1417805300.db2.gz MRKNXROQSNUKHR-UHFFFAOYSA-N -1 0 398.362 3.093 20 30 GGEDRM CC[C@H](CC(=O)[N-]S(=O)(=O)c1cc(Br)cc(C#N)c1)C(C)C ZINC000151736429 1418074659 /nfs/dbraw/zinc/07/46/59/1418074659.db2.gz BSFPGAWQMYHPHL-GFCCVEGCSA-N -1 0 387.299 3.198 20 30 GGEDRM COc1ccc(CNC(=O)C(C#N)=C([O-])c2cnc3ccc(F)cc3c2)cc1 ZINC000178986859 1429235001 /nfs/dbraw/zinc/23/50/01/1429235001.db2.gz ARUVVRNMBFXILO-GOSISDBHSA-N -1 0 377.375 3.021 20 30 GGEDRM COc1ccc(CNC(=O)C(C#N)=C([O-])c2cnc3ccc(F)cc3c2)cc1 ZINC000178986850 1429235129 /nfs/dbraw/zinc/23/51/29/1429235129.db2.gz ARUVVRNMBFXILO-SFHVURJKSA-N -1 0 377.375 3.021 20 30 GGEDRM C=CC[C@@H](NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)c1ccncc1 ZINC000735409949 1429237724 /nfs/dbraw/zinc/23/77/24/1429237724.db2.gz POWFUMKQEHELRC-LJQANCHMSA-N -1 0 392.463 3.244 20 30 GGEDRM Cc1c(C#N)cccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000179025085 1429245090 /nfs/dbraw/zinc/24/50/90/1429245090.db2.gz OMFVSWQTRPAXMU-UHFFFAOYSA-N -1 0 396.222 3.338 20 30 GGEDRM CCOc1c(OC)cc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)cc1OC ZINC000825604226 1429263771 /nfs/dbraw/zinc/26/37/71/1429263771.db2.gz FCNFOLOCZIEFDU-YVMONPNESA-N -1 0 398.394 3.318 20 30 GGEDRM CN(Cc1cccc(-c2nnn[n-]2)c1)c1c(C#N)cnc2c(F)ccc(F)c21 ZINC000736821247 1429310377 /nfs/dbraw/zinc/31/03/77/1429310377.db2.gz AXSXIHHPCCDMFD-UHFFFAOYSA-N -1 0 377.358 3.201 20 30 GGEDRM N#Cc1cc(-c2nn[n-]n2)c(SCc2cc(Cl)ccc2Cl)nc1N ZINC000737704360 1429349435 /nfs/dbraw/zinc/34/94/35/1429349435.db2.gz HOSJTXSPCVBYOA-UHFFFAOYSA-N -1 0 378.248 3.315 20 30 GGEDRM CN(C(=O)c1cc2ccccc2n1CC#N)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821573269 1429375523 /nfs/dbraw/zinc/37/55/23/1429375523.db2.gz IPPBORWZTHNGIV-UHFFFAOYSA-N -1 0 391.822 3.275 20 30 GGEDRM N#CCCCCNC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000737688819 1429390330 /nfs/dbraw/zinc/39/03/30/1429390330.db2.gz YIIPYAOHLKBSAW-UHFFFAOYSA-N -1 0 380.383 3.222 20 30 GGEDRM C=C[C@@H](CC(=O)OCc1cccc(C(=O)OC)c1-c1nn[n-]n1)c1ccccc1 ZINC000823882891 1429424439 /nfs/dbraw/zinc/42/44/39/1429424439.db2.gz FJZXYMWBVVDYLN-AWEZNQCLSA-N -1 0 392.415 3.056 20 30 GGEDRM C#CCOc1cccc(NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)c1 ZINC000735380114 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CC(C)Oc1ccc([N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])cc1C#N ZINC000152645139 1422185739 /nfs/dbraw/zinc/18/57/39/1422185739.db2.gz AJBRGGVBCKDUQA-UHFFFAOYSA-N -1 0 379.369 3.194 20 30 GGEDRM Cc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(C#N)c2)c([N+](=O)[O-])c1 ZINC000152646114 1422186561 /nfs/dbraw/zinc/18/65/61/1422186561.db2.gz BOAZOVJVBLHXTB-UHFFFAOYSA-N -1 0 375.406 3.363 20 30 GGEDRM N#Cc1cc(Cl)ccc1-n1ccc(NCc2cc(-c3nnn[n-]3)ccc2F)n1 ZINC000826383465 1429536765 /nfs/dbraw/zinc/53/67/65/1429536765.db2.gz BNCDLIBSIHYXFZ-UHFFFAOYSA-N -1 0 394.801 3.329 20 30 GGEDRM Cc1cc(C([O-])=C(C#N)c2nc(N)nc(Nc3ccccc3)n2)cc(C)c1F ZINC000153234952 1422409596 /nfs/dbraw/zinc/40/95/96/1422409596.db2.gz VOQXSGBAPQENOT-HNNXBMFYSA-N -1 0 376.395 3.443 20 30 GGEDRM CCn1c(=O)c2ccc(C(=O)N[C@H](CCC#N)c3ccccc3)cc2[n-]c1=S ZINC000153306314 1422456035 /nfs/dbraw/zinc/45/60/35/1422456035.db2.gz PEVDSXRWEJRTPV-QGZVFWFLSA-N -1 0 392.484 3.480 20 30 GGEDRM C[C@H](CC(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1)Cc1ccc(Cl)cc1 ZINC000179781804 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MQVBEZFRISIIFB-UHFFFAOYSA-N -1 0 386.408 3.165 20 30 GGEDRM CCOCc1ccc(CNC(=O)Cn2[n-]c(C(C)(C)C)c(CCC#N)c2=O)cc1 ZINC000153477058 1422559370 /nfs/dbraw/zinc/55/93/70/1422559370.db2.gz ZDZXJZJLYKPTTA-UHFFFAOYSA-N -1 0 398.507 3.195 20 30 GGEDRM COc1ccc2c(c1)CCCN2C(=O)Cn1[n-]c(C(C)(C)C)c(CCC#N)c1=O ZINC000153480214 1422560026 /nfs/dbraw/zinc/56/00/26/1422560026.db2.gz AWTZDJBIIOZIKC-UHFFFAOYSA-N -1 0 396.491 3.330 20 30 GGEDRM C[C@H]1CCCC[C@H]1OCCNC(=O)Cn1[n-]c(C(C)(C)C)c(CCC#N)c1=O ZINC000153505643 1422575799 /nfs/dbraw/zinc/57/57/99/1422575799.db2.gz OROTWUULDSKUMQ-DOTOQJQBSA-N -1 0 390.528 3.054 20 30 GGEDRM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NCc2ccc(OCC(F)F)cc2)o1 ZINC000735851492 1429574757 /nfs/dbraw/zinc/57/47/57/1429574757.db2.gz XNFINXIIRHWVSB-UHFFFAOYSA-N -1 0 391.382 3.143 20 30 GGEDRM CC[C@@H](CC(=O)[N-]S(=O)(=O)Cc1cccc(C#N)c1)c1ccc(OC)cc1 ZINC000153620558 1422654200 /nfs/dbraw/zinc/65/42/00/1422654200.db2.gz ZLGDKWLTBPRHLE-KRWDZBQOSA-N -1 0 386.473 3.097 20 30 GGEDRM CC(C)Cc1ccc(CCC(=O)[N-]S(=O)(=O)Cc2cccc(C#N)c2)cc1 ZINC000153622100 1422654981 /nfs/dbraw/zinc/65/49/81/1422654981.db2.gz ZTJHBSWCQXQZSD-UHFFFAOYSA-N -1 0 384.501 3.336 20 30 GGEDRM Cc1cccc(Cl)c1S(=O)(=O)[N-]C(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC000153683845 1422700964 /nfs/dbraw/zinc/70/09/64/1422700964.db2.gz NVTOYCGXMNPTIS-UHFFFAOYSA-N -1 0 392.864 3.183 20 30 GGEDRM CCC[C@H](C(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)C(C)C ZINC000153735486 1422729356 /nfs/dbraw/zinc/72/93/56/1422729356.db2.gz DBCWLQJFMRVMMI-LBPRGKRZSA-N -1 0 376.400 3.454 20 30 GGEDRM C=CCOc1ccc(C=CC(=O)Oc2ccc(-c3nn[n-]n3)cc2F)cc1OC ZINC000819759139 1429589502 /nfs/dbraw/zinc/58/95/02/1429589502.db2.gz OWEZSHOQYNFOGG-WEVVVXLNSA-N -1 0 396.378 3.198 20 30 GGEDRM C[C@H](Cc1nc2ccccc2s1)[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000154191838 1422852839 /nfs/dbraw/zinc/85/28/39/1422852839.db2.gz MRZWJWSFROAWAT-SNVBAGLBSA-N -1 0 393.440 3.356 20 30 GGEDRM CN(C)C(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000154317799 1422871985 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3.376 20 30 GGEDRM COc1ccc(CCNC(=O)C(C#N)=C([O-])c2ccc(-n3cccc3)cc2)cc1 ZINC000154991826 1423101794 /nfs/dbraw/zinc/10/17/94/1423101794.db2.gz AKDZAEODTDFTAO-OAQYLSRUSA-N -1 0 387.439 3.167 20 30 GGEDRM COc1ccc(CNC(=O)C(C#N)=C([O-])c2csc(-c3ccccc3)n2)cc1 ZINC000155063877 1423141423 /nfs/dbraw/zinc/14/14/23/1423141423.db2.gz JFDUZEJKRDTZRE-KRWDZBQOSA-N -1 0 391.452 3.458 20 30 GGEDRM CC[C@H](/N=C/c1cc([N+](=O)[O-])ccc1[O-])[C@H]1CN(Cc2ccccc2)CCO1 ZINC000155078296 1423149193 /nfs/dbraw/zinc/14/91/93/1423149193.db2.gz XSTNTTHIPGLOJT-GAMXZPBPSA-N -1 0 383.448 3.399 20 30 GGEDRM Cc1nc(-c2nn[n-]n2)c(N=NC2CCCOc3cc4c(cc32)CCCC4)o1 ZINC000822424549 1423262114 /nfs/dbraw/zinc/26/21/14/1423262114.db2.gz WXQMIPUAAQWKGI-UHFFFAOYSA-N -1 0 379.424 3.031 20 30 GGEDRM N#CCn1c(C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)cc2ccccc21 ZINC000737698454 1429627577 /nfs/dbraw/zinc/62/75/77/1429627577.db2.gz ZAAUXNVBUSVBTQ-UHFFFAOYSA-N -1 0 377.795 3.251 20 30 GGEDRM Cc1c(C(=O)C=Cc2ccccc2-c2nn[n-]n2)nnn1-c1cccc(Cl)c1 ZINC000826234351 1429631621 /nfs/dbraw/zinc/63/16/21/1429631621.db2.gz RXHQGOCPLSGDNP-KTKRTIGZSA-N -1 0 391.822 3.305 20 30 GGEDRM Cc1[nH]c2ccccc2c1C(=O)C(C#N)=C([O-])c1csc(S(C)(=O)=O)c1 ZINC000155515925 1423395979 /nfs/dbraw/zinc/39/59/79/1423395979.db2.gz ZPJOGAYMYQXOBF-ZDUSSCGKSA-N -1 0 386.454 3.147 20 30 GGEDRM Cc1c(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)cnn1C1CCOCC1 ZINC000155517641 1423396739 /nfs/dbraw/zinc/39/67/39/1423396739.db2.gz WNAKAODULADNRH-AWEZNQCLSA-N -1 0 378.354 3.447 20 30 GGEDRM N#C[C@H](NC(=O)Cc1cccc(-c2nn[n-]n2)c1)c1ccc(Cl)c(Cl)c1 ZINC000822801636 1429639021 /nfs/dbraw/zinc/63/90/21/1429639021.db2.gz LOFBWXHDDQGXEN-HNNXBMFYSA-N -1 0 387.230 3.097 20 30 GGEDRM CS(=O)(=O)c1cc(C([O-])=C(C#N)C(=O)Nc2cccc3ccccc32)cs1 ZINC000155575471 1423426514 /nfs/dbraw/zinc/42/65/14/1423426514.db2.gz REFUFGHPHNXNCI-HNNXBMFYSA-N -1 0 398.465 3.266 20 30 GGEDRM Cc1ccc(CC(=O)[C@@H](C#N)c2nc(-c3ccc(-c4nn[n-]n4)cc3)cs2)o1 ZINC000826286762 1429654120 /nfs/dbraw/zinc/65/41/20/1429654120.db2.gz PIULEUOAOFEBMB-OAHLLOKOSA-N -1 0 390.428 3.311 20 30 GGEDRM COc1cccc(-c2nc(C=NNCc3ccc(-c4nn[n-]n4)cc3)cs2)c1 ZINC000821854423 1423658589 /nfs/dbraw/zinc/65/85/89/1423658589.db2.gz JJOZOFHWFIITRJ-UHFFFAOYSA-N -1 0 391.460 3.123 20 30 GGEDRM Cc1nc(C)c(-c2nn[n-]n2)c(SCC#Cc2ccc(C(F)(F)F)cc2)n1 ZINC000822427423 1423658674 /nfs/dbraw/zinc/65/86/74/1423658674.db2.gz NFMSBJDWYUISEG-UHFFFAOYSA-N -1 0 390.394 3.436 20 30 GGEDRM Cc1nc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)n(-c2ccc(C#N)cc2)n1 ZINC000156082576 1423663865 /nfs/dbraw/zinc/66/38/65/1423663865.db2.gz JBVVSGWNPHOWJD-UHFFFAOYSA-N -1 0 381.461 3.372 20 30 GGEDRM CCC[C@@H](C(=O)[N-]S(=O)(=O)c1cc(Br)cc(C#N)c1)C(C)C ZINC000156158643 1423699424 /nfs/dbraw/zinc/69/94/24/1423699424.db2.gz BYZSPLWUYPWEHX-CQSZACIVSA-N -1 0 387.299 3.198 20 30 GGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3cc([N+](=O)[O-])ccc3n2)cc1Cl ZINC000156172883 1423706545 /nfs/dbraw/zinc/70/65/45/1423706545.db2.gz JKTQGLJMJLQPLV-UHFFFAOYSA-N -1 0 388.792 3.469 20 30 GGEDRM Cc1ccc(-c2nn[n-]n2)cc1NCC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000822220390 1423713167 /nfs/dbraw/zinc/71/31/67/1423713167.db2.gz PRKDWVAHZRHYSZ-UHFFFAOYSA-N -1 0 395.854 3.187 20 30 GGEDRM COCCOc1cc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)ccn1 ZINC000179965569 1429665787 /nfs/dbraw/zinc/66/57/87/1429665787.db2.gz NKISAOUSBWPFPS-HNNXBMFYSA-N -1 0 380.429 3.115 20 30 GGEDRM N#C[C@@H](OC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)C1CCCCC1 ZINC000826380301 1423743572 /nfs/dbraw/zinc/74/35/72/1423743572.db2.gz UXOXGPDXFLIPCP-GOSISDBHSA-N -1 0 383.452 3.431 20 30 GGEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H](SC)c1ccccc1 ZINC000735419194 1423759515 /nfs/dbraw/zinc/75/95/15/1423759515.db2.gz PYKWIYCALJXSBX-SFHVURJKSA-N -1 0 379.489 3.486 20 30 GGEDRM CCN(C[C@H](C)C#N)C(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000825399542 1423760578 /nfs/dbraw/zinc/76/05/78/1423760578.db2.gz XJJZPHRINPLGHN-CQSZACIVSA-N -1 0 376.420 3.281 20 30 GGEDRM CC(=NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1cc(O)cc(O)c1 ZINC000823958275 1423779117 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IMTQSYMZUUKAFE-UHFFFAOYSA-N -1 0 393.422 3.184 20 30 GGEDRM CC(C)Oc1ccc(NC(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1C#N ZINC000820166220 1423955918 /nfs/dbraw/zinc/95/59/18/1423955918.db2.gz ULEIAGFZUMAQIT-ZDUSSCGKSA-N -1 0 391.435 3.408 20 30 GGEDRM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1c(CC)nn(C)c1CC ZINC000157236897 1423963310 /nfs/dbraw/zinc/96/33/10/1423963310.db2.gz XVGZHYKSNINXMA-UHFFFAOYSA-N -1 0 375.498 3.039 20 30 GGEDRM COc1cc(/C=C/C(=O)c2cnn(Cc3ccccc3)c2)cc([N+](=O)[O-])c1[O-] ZINC000157349537 1423991927 /nfs/dbraw/zinc/99/19/27/1423991927.db2.gz KHMRRGYSTHLSKK-BQYQJAHWSA-N -1 0 379.372 3.450 20 30 GGEDRM C=C(C)Cn1c(SCC(=O)[N-]OCc2ccccc2)nnc1-c1ccco1 ZINC000157388921 1424000246 /nfs/dbraw/zinc/00/02/46/1424000246.db2.gz JZPMGPSHLCPZLT-UHFFFAOYSA-N -1 0 384.461 3.454 20 30 GGEDRM N#Cc1csc(C(=O)NCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)c1 ZINC000826387927 1424057380 /nfs/dbraw/zinc/05/73/80/1424057380.db2.gz ZQPZKTQEHRIABI-UHFFFAOYSA-N -1 0 386.440 3.397 20 30 GGEDRM N#C[C@@H](NC(=O)Cc1cccc(-c2nn[n-]n2)c1)c1c(Cl)cccc1Cl ZINC000822801650 1424085489 /nfs/dbraw/zinc/08/54/89/1424085489.db2.gz LPJQDNXZOWIRMC-CQSZACIVSA-N -1 0 387.230 3.097 20 30 GGEDRM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)O[C@@H](C#N)C2CC2)cc1 ZINC000822146695 1424096140 /nfs/dbraw/zinc/09/61/40/1424096140.db2.gz YYNIHLMGVKCFAK-SFHVURJKSA-N -1 0 375.388 3.426 20 30 GGEDRM Cc1cc(C(=O)N(CC#N)C2CCCC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737228034 1424097204 /nfs/dbraw/zinc/09/72/04/1424097204.db2.gz SCWKLFBFLFMXHP-UHFFFAOYSA-N -1 0 389.463 3.183 20 30 GGEDRM CC(=CC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1)c1ccccc1OC(F)F ZINC000819765019 1424108860 /nfs/dbraw/zinc/10/88/60/1424108860.db2.gz MGPHKCPACSCQKJ-DHZHZOJOSA-N -1 0 396.357 3.382 20 30 GGEDRM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2[N+](=O)[O-])ccc1OC(C)C ZINC000157906812 1424116773 /nfs/dbraw/zinc/11/67/73/1424116773.db2.gz ILZZHFPVATXGGN-UHFFFAOYSA-N -1 0 375.406 3.363 20 30 GGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2OC(F)F)c(F)c1 ZINC000158044216 1424147686 /nfs/dbraw/zinc/14/76/86/1424147686.db2.gz CBRVMZNMGYLXOA-UHFFFAOYSA-N -1 0 387.295 3.008 20 30 GGEDRM CC(C)(C)NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2F)c1 ZINC000158061641 1424153183 /nfs/dbraw/zinc/15/31/83/1424153183.db2.gz SWZPDJLVKUORQT-UHFFFAOYSA-N -1 0 375.425 3.026 20 30 GGEDRM CC[C@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2F)c(C)c1 ZINC000158095527 1424166407 /nfs/dbraw/zinc/16/64/07/1424166407.db2.gz MJZQNIWSSOXIRF-ZDUSSCGKSA-N -1 0 389.452 3.335 20 30 GGEDRM CC(=O)N(Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2F)cc1)C(C)C ZINC000158175042 1424186792 /nfs/dbraw/zinc/18/67/92/1424186792.db2.gz IWOBOUJNROQMLT-UHFFFAOYSA-N -1 0 389.452 3.255 20 30 GGEDRM CC(=O)N(Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2F)cc1)C1CC1 ZINC000158180936 1424188207 /nfs/dbraw/zinc/18/82/07/1424188207.db2.gz NUIDINRCMZQRGA-UHFFFAOYSA-N -1 0 387.436 3.009 20 30 GGEDRM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2F)ccc1OC1CCOCC1 ZINC000158183642 1424188531 /nfs/dbraw/zinc/18/85/31/1424188531.db2.gz XUJHLZRKRYPMNA-UHFFFAOYSA-N -1 0 390.436 3.364 20 30 GGEDRM N#Cc1cc(NC(=O)C2(c3ccc(F)cc3)CCCC2)ccc1-c1nn[n-]n1 ZINC000737703725 1424230315 /nfs/dbraw/zinc/23/03/15/1424230315.db2.gz FCLOFTDRVNFPFZ-UHFFFAOYSA-N -1 0 376.395 3.328 20 30 GGEDRM COc1cc(-c2nn[n-]n2)ccc1CON=Cc1ccccc1Br ZINC000826173332 1429713888 /nfs/dbraw/zinc/71/38/88/1429713888.db2.gz YJLMLUOVSHDRHW-UHFFFAOYSA-N -1 0 388.225 3.189 20 30 GGEDRM Cc1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2OC(C)C)c([N+](=O)[O-])c1 ZINC000158673134 1424315116 /nfs/dbraw/zinc/31/51/16/1424315116.db2.gz KROXMEAWHKISPB-UHFFFAOYSA-N -1 0 375.406 3.363 20 30 GGEDRM Cn1ccc2c1cccc2C([O-])=C(C#N)c1nc(N)nc(Nc2ccccc2)n1 ZINC000158683268 1424318399 /nfs/dbraw/zinc/31/83/99/1424318399.db2.gz YKDHQWNJPKYQGA-INIZCTEOSA-N -1 0 383.415 3.179 20 30 GGEDRM C#CCSCCNC(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735387974 1424326479 /nfs/dbraw/zinc/32/64/79/1424326479.db2.gz MYENVPFDNYZUBX-UHFFFAOYSA-N -1 0 394.460 3.147 20 30 GGEDRM Cc1cc(C(=O)N(C)c2cccc(-c3nn[n-]n3)c2)c(C)n1-c1ccc(C#N)cc1 ZINC000737228412 1424336045 /nfs/dbraw/zinc/33/60/45/1424336045.db2.gz YVIGWKXHNYTKOR-UHFFFAOYSA-N -1 0 397.442 3.423 20 30 GGEDRM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cc(C#N)c(Br)cn1 ZINC000180760230 1430023558 /nfs/dbraw/zinc/02/35/58/1430023558.db2.gz CTKQCDQNXFYGOV-UHFFFAOYSA-N -1 0 386.658 3.478 20 30 GGEDRM CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 ZINC000180065442 1429721974 /nfs/dbraw/zinc/72/19/74/1429721974.db2.gz YCOGRNSLAPGWSZ-UHFFFAOYSA-N -1 0 379.369 3.114 20 30 GGEDRM Cc1c(C(=O)C=Cc2cnc3ccc(Cl)cn23)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737201283 1424441039 /nfs/dbraw/zinc/44/10/39/1424441039.db2.gz BWORUMIZRDNIAR-AATRIKPKSA-N -1 0 393.838 3.120 20 30 GGEDRM CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820340004 1424472902 /nfs/dbraw/zinc/47/29/02/1424472902.db2.gz IHRDKPYNSHNCCH-OAHLLOKOSA-N -1 0 389.463 3.420 20 30 GGEDRM Cc1c(C(=O)[N-]S(=O)(=O)Cc2cccc(C#N)c2)cccc1-c1ccccn1 ZINC000159287478 1424473631 /nfs/dbraw/zinc/47/36/31/1424473631.db2.gz QZTXZQREVBDWIM-UHFFFAOYSA-N -1 0 391.452 3.189 20 30 GGEDRM CCOC(=O)Nc1ccc(NCc2ccc(C#N)cc2F)cc1-c1nn[n-]n1 ZINC000825552650 1424484313 /nfs/dbraw/zinc/48/43/13/1424484313.db2.gz BVSIGWZIHLXGMK-UHFFFAOYSA-N -1 0 381.371 3.058 20 30 GGEDRM C#Cc1cccc(N(Cc2ccco2)C(=O)COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735390852 1424501985 /nfs/dbraw/zinc/50/19/85/1424501985.db2.gz FRPOOSKLEQKDLB-UHFFFAOYSA-N -1 0 399.410 3.053 20 30 GGEDRM N#Cc1cc(F)c(S(=O)(=O)[N-][C@H](C[C@H]2CCOC2)c2ccccc2)c(F)c1 ZINC000159786210 1424537008 /nfs/dbraw/zinc/53/70/08/1424537008.db2.gz ULCIXBAVLFEDDX-FZKQIMNGSA-N -1 0 392.427 3.283 20 30 GGEDRM N#Cc1ccc(Cc2cnc(NC(=O)c3ccc([O-])c([N+](=O)[O-])c3)s2)cc1 ZINC000160062839 1424569430 /nfs/dbraw/zinc/56/94/30/1424569430.db2.gz FBEKFMZVNJKGFV-UHFFFAOYSA-N -1 0 380.385 3.472 20 30 GGEDRM N#Cc1cnn(-c2ccc(C(=O)Nc3ccc4[n-]c(=S)oc4c3)cc2)c1N ZINC000160763664 1424633729 /nfs/dbraw/zinc/63/37/29/1424633729.db2.gz BZZPHZUBIRUKHH-UHFFFAOYSA-N -1 0 376.401 3.008 20 30 GGEDRM CCOC(=O)c1ccc(F)c(C)c1[N-]S(=O)(=O)c1ccc(CC#N)cc1 ZINC000161243031 1424669535 /nfs/dbraw/zinc/66/95/35/1424669535.db2.gz COSXALBZWFQHOE-UHFFFAOYSA-N -1 0 376.409 3.178 20 30 GGEDRM C=CCOc1ccc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2NCC)cc1OC ZINC000819759413 1424695547 /nfs/dbraw/zinc/69/55/47/1424695547.db2.gz XBESDYTYZKDHHY-UHFFFAOYSA-N -1 0 394.435 3.124 20 30 GGEDRM Cn1ccnc1COc1ccc(C(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000826364455 1424710359 /nfs/dbraw/zinc/71/03/59/1424710359.db2.gz WZLICZMUEMKPHC-FLIBITNWSA-N -1 0 386.415 3.075 20 30 GGEDRM C=CCNC(=O)Nc1ccc(NC(=O)Nc2cccc(-c3nn[n-]n3)c2C)cc1 ZINC000819751621 1424760503 /nfs/dbraw/zinc/76/05/03/1424760503.db2.gz XYDCGFRVUZPUMY-UHFFFAOYSA-N -1 0 392.423 3.127 20 30 GGEDRM CCc1ccc(C([O-])=C(C#N)c2nc3ccccc3n2C)cc1S(C)(=O)=O ZINC000161887776 1424789186 /nfs/dbraw/zinc/78/91/86/1424789186.db2.gz UBZXLEJQHCVBHT-OAHLLOKOSA-N -1 0 381.457 3.029 20 30 GGEDRM CCOc1c(OC)cc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1OC ZINC000825603770 1424806338 /nfs/dbraw/zinc/80/63/38/1424806338.db2.gz BTIWPZYFKHHYRI-YVMONPNESA-N -1 0 398.394 3.318 20 30 GGEDRM C=C(C)COCCNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000162281146 1424833970 /nfs/dbraw/zinc/83/39/70/1424833970.db2.gz VZZYPQMPMUAYTR-UHFFFAOYSA-N -1 0 388.489 3.118 20 30 GGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1cccc(I)c1C ZINC000162297497 1424835689 /nfs/dbraw/zinc/83/56/89/1424835689.db2.gz KWOBKCNCOJSEMG-ZDUSSCGKSA-N -1 0 398.244 3.229 20 30 GGEDRM CC(=O)Nc1cc(C([O-])=C(C#N)C(=O)NC2CCCCC2)cc(C(F)(F)F)c1 ZINC000162408403 1424847879 /nfs/dbraw/zinc/84/78/79/1424847879.db2.gz FPKTWALHSPXAKE-INIZCTEOSA-N -1 0 395.381 3.435 20 30 GGEDRM CC(=O)Nc1cc(C([O-])=C(C#N)C(=O)NC2CCCC2)cc(C(F)(F)F)c1 ZINC000162622680 1424873265 /nfs/dbraw/zinc/87/32/65/1424873265.db2.gz CYMLKBFYHYGFLG-OAHLLOKOSA-N -1 0 381.354 3.045 20 30 GGEDRM COc1cc(OC)c(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)cc1Cl ZINC000821723521 1424906816 /nfs/dbraw/zinc/90/68/16/1424906816.db2.gz CPRYSTNJPRDHFB-ARJAWSKDSA-N -1 0 376.825 3.495 20 30 GGEDRM CCCCOc1cc(C=NNCc2ccc(-c3nn[n-]n3)cc2)ccc1OC ZINC000821077389 1424949941 /nfs/dbraw/zinc/94/99/41/1424949941.db2.gz DATADWHBLMLQBR-UHFFFAOYSA-N -1 0 380.452 3.178 20 30 GGEDRM Cc1ccc([C@@H]2OCCC[C@H]2C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1 ZINC000822233151 1424951726 /nfs/dbraw/zinc/95/17/26/1424951726.db2.gz ITRQTKOEWKZYQP-MJGOQNOKSA-N -1 0 388.431 3.153 20 30 GGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2nnc(-c3ccccc3)o2)cc1C(F)(F)F ZINC000163207585 1424959850 /nfs/dbraw/zinc/95/98/50/1424959850.db2.gz AAGRTIAWDUWKDT-UHFFFAOYSA-N -1 0 394.334 3.428 20 30 GGEDRM CC(C)Oc1ccc(NC(=O)CCc2ccc(C#N)cc2)cc1-c1nn[n-]n1 ZINC000820160017 1424963079 /nfs/dbraw/zinc/96/30/79/1424963079.db2.gz CVHDYUVDWKBVJA-UHFFFAOYSA-N -1 0 376.420 3.097 20 30 GGEDRM CSc1[n-]c(=O)c(C(=O)N[C@H](c2ccc(F)cc2F)C(C)C)cc1C#N ZINC000163370915 1424986191 /nfs/dbraw/zinc/98/61/91/1424986191.db2.gz KIRVCKRKYYCZKT-HNNXBMFYSA-N -1 0 377.416 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383.402 3.463 20 30 GGEDRM CCc1cc(N=NC(C)c2ccc(-c3nn[n-]n3)s2)nc(-c2ccccn2)n1 ZINC000825700687 1426152000 /nfs/dbraw/zinc/15/20/00/1426152000.db2.gz PKZQLIDKGUSCDN-UHFFFAOYSA-N -1 0 391.464 3.179 20 30 GGEDRM S=C(NN=Cc1ccc(-c2nn[n-]n2)o1)Nc1ccc(Cl)cc1Cl ZINC000823733386 1426235920 /nfs/dbraw/zinc/23/59/20/1426235920.db2.gz WGQBWIMVALQTNE-UHFFFAOYSA-N -1 0 382.236 3.087 20 30 GGEDRM N#Cc1cccc(OCCCCC(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000822837145 1426236914 /nfs/dbraw/zinc/23/69/14/1426236914.db2.gz GQEFATDJAKFGQS-UHFFFAOYSA-N -1 0 395.394 3.170 20 30 GGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2CC(F)(F)F)c([N+](=O)[O-])c1 ZINC000172901159 1426247304 /nfs/dbraw/zinc/24/73/04/1426247304.db2.gz IDMDGJKDUVCLIY-UHFFFAOYSA-N -1 0 385.323 3.372 20 30 GGEDRM CC(C)Oc1ccc(NC(=O)CSc2ccc(C#N)cc2)cc1-c1nn[n-]n1 ZINC000820164193 1426285813 /nfs/dbraw/zinc/28/58/13/1426285813.db2.gz GUNAUIAUFAYGEV-UHFFFAOYSA-N -1 0 394.460 3.256 20 30 GGEDRM Clc1cc(-c2nn[n-]n2)cc(NN=Cc2csc(Br)c2)n1 ZINC000826350790 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O=C(C=Cc1csc(-c2ccccn2)n1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826403599 1426484880 /nfs/dbraw/zinc/48/48/80/1426484880.db2.gz WYOIKROIBHYIHA-FNORWQNLSA-N -1 0 378.392 3.420 20 30 GGEDRM Fc1cc(-c2nn[n-]n2)ccc1C=NNc1ccc(Br)cc1F ZINC000822741333 1426486337 /nfs/dbraw/zinc/48/63/37/1426486337.db2.gz VDJSFWLXIAUHHM-UHFFFAOYSA-N -1 0 379.168 3.353 20 30 GGEDRM Cc1cc(C(=O)N(C[C@@H](C)C#N)C2CC2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826257843 1426498889 /nfs/dbraw/zinc/49/88/89/1426498889.db2.gz QEGGPPCIDNUPOX-ZDUSSCGKSA-N -1 0 389.463 3.039 20 30 GGEDRM Fc1cc(F)c(F)c(CNc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)c1F ZINC000822754302 1426530061 /nfs/dbraw/zinc/53/00/61/1426530061.db2.gz YRIMJKXAVGZDTF-UHFFFAOYSA-N -1 0 392.238 3.449 20 30 GGEDRM O=C(C=Cc1cnc2ccc(-c3nn[n-]n3)cn12)c1ccc(C(F)(F)F)cc1 ZINC000737810359 1426533015 /nfs/dbraw/zinc/53/30/15/1426533015.db2.gz ZCFBNHTZKVNCKZ-SREVYHEPSA-N -1 0 384.321 3.429 20 30 GGEDRM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NC(C[C@H]2CCOC2)c2ccccc2)o1 ZINC000824135251 1426541682 /nfs/dbraw/zinc/54/16/82/1426541682.db2.gz COJIIBCVAWMPGC-CYBMUJFWSA-N -1 0 395.467 3.395 20 30 GGEDRM Cn1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)c(-c2cccs2)n1 ZINC000826359252 1426549745 /nfs/dbraw/zinc/54/97/45/1426549745.db2.gz AVKDZEUNLJWJSY-FNORWQNLSA-N -1 0 380.408 3.364 20 30 GGEDRM N#Cc1ccccc1NC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000737727371 1426555537 /nfs/dbraw/zinc/55/55/37/1426555537.db2.gz JRXHIUKFMXKVFM-UHFFFAOYSA-N -1 0 386.371 3.163 20 30 GGEDRM C[C@H](CSc1ccc(F)cc1)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000820294520 1426586078 /nfs/dbraw/zinc/58/60/78/1426586078.db2.gz UGVQCNWPGXQFAH-LLVKDONJSA-N -1 0 382.424 3.244 20 30 GGEDRM N#Cc1ccc(-c2cccc(CNC(=O)c3ccc(-c4nn[n-]n4)s3)c2)s1 ZINC000822823601 1426601152 /nfs/dbraw/zinc/60/11/52/1426601152.db2.gz TZXQORYYGXXYRO-UHFFFAOYSA-N -1 0 392.469 3.458 20 30 GGEDRM C=CCOc1ccc(OCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)cc1 ZINC000819758812 1426606825 /nfs/dbraw/zinc/60/68/25/1426606825.db2.gz HUNBJUSLAIMBLZ-UHFFFAOYSA-N -1 0 376.376 3.061 20 30 GGEDRM C[C@@H](C#N)CSc1ccccc1NC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000819856817 1426617606 /nfs/dbraw/zinc/61/76/06/1426617606.db2.gz MSPZOODZSCCKKF-ZDUSSCGKSA-N -1 0 378.461 3.300 20 30 GGEDRM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@@H](C)c1cccc(C#N)c1 ZINC000821407061 1426626093 /nfs/dbraw/zinc/62/60/93/1426626093.db2.gz NZHVRJFFZZILHD-LBPRGKRZSA-N -1 0 377.408 3.020 20 30 GGEDRM CCCCCCCC(=O)NC1CCC(Oc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000825271957 1426648894 /nfs/dbraw/zinc/64/88/94/1426648894.db2.gz SCOIQFODQYOTDZ-UHFFFAOYSA-N -1 0 386.500 3.428 20 30 GGEDRM C[C@H](C#N)CN(C)C(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000735503394 1426659144 /nfs/dbraw/zinc/65/91/44/1426659144.db2.gz KHBPFQPOYXPTRN-GFCCVEGCSA-N -1 0 380.383 3.030 20 30 GGEDRM COCCCOc1cccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000826157300 1426710708 /nfs/dbraw/zinc/71/07/08/1426710708.db2.gz PXVRWFDNRWXVMR-TWGQIWQCSA-N -1 0 382.395 3.317 20 30 GGEDRM CCNc1ccc(C#N)cc1NC(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000821308487 1426732322 /nfs/dbraw/zinc/73/23/22/1426732322.db2.gz BIUWTAHTQUHADD-UHFFFAOYSA-N -1 0 393.476 3.042 20 30 GGEDRM C=CCn1c(=O)c2ccc(C(=O)NCC[C@H](OCC)C(C)C)cc2[n-]c1=S ZINC000173567987 1426735421 /nfs/dbraw/zinc/73/54/21/1426735421.db2.gz FAJMMVNFFDQKTK-KRWDZBQOSA-N -1 0 389.521 3.052 20 30 GGEDRM C[C@@H](CC#N)N(C)C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000820219876 1426752449 /nfs/dbraw/zinc/75/24/49/1426752449.db2.gz KRQBKTNZUCBEHE-ZDUSSCGKSA-N -1 0 377.408 3.425 20 30 GGEDRM CCCOc1cc(CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)ccc1OC ZINC000825339267 1426752466 /nfs/dbraw/zinc/75/24/66/1426752466.db2.gz UUEVDPWBLUNMKY-UHFFFAOYSA-N -1 0 387.831 3.159 20 30 GGEDRM C=CCCS(=O)(=O)N[C@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000823899144 1426761828 /nfs/dbraw/zinc/76/18/28/1426761828.db2.gz NKYKWNARBQIPRJ-CQSZACIVSA-N -1 0 383.477 3.090 20 30 GGEDRM C#Cc1cccc(N2C(=O)C(=Cc3ccc(-c4nn[n-]n4)s3)SC2=S)c1 ZINC000819709334 1426768537 /nfs/dbraw/zinc/76/85/37/1426768537.db2.gz DFEMCHQPMOZWAR-ZROIWOOFSA-N -1 0 395.494 3.315 20 30 GGEDRM COc1cc(C#N)ccc1CSc1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC000826177251 1426799793 /nfs/dbraw/zinc/79/97/93/1426799793.db2.gz ZSSTYOXGNJSGNF-UHFFFAOYSA-N -1 0 378.461 3.313 20 30 GGEDRM Cn1cc(C=CC(=O)c2ccc(C#N)c(F)c2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826359679 1426804516 /nfs/dbraw/zinc/80/45/16/1426804516.db2.gz NTDQSQYRQKGELW-HJWRWDBZSA-N -1 0 399.389 3.174 20 30 GGEDRM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)O[C@@H](C)c1cccc(C#N)c1 ZINC000824716034 1426820605 /nfs/dbraw/zinc/82/06/05/1426820605.db2.gz WGJVSZSKCDUKQN-LIRRHRJNSA-N -1 0 391.431 3.446 20 30 GGEDRM COc1ccc(CSCCOc2ccc(-c3nn[n-]n3)cc2OC)cc1C#N ZINC000826208123 1426855074 /nfs/dbraw/zinc/85/50/74/1426855074.db2.gz UMSXHXUHHYMEAK-UHFFFAOYSA-N -1 0 397.460 3.068 20 30 GGEDRM Cc1csc(C(C#N)=C([O-])c2nn(-c3cccc(Cl)c3)c(C)cc2=O)n1 ZINC000173899283 1426884463 /nfs/dbraw/zinc/88/44/63/1426884463.db2.gz RTFONWMKVNLTPD-AWEZNQCLSA-N -1 0 384.848 3.449 20 30 GGEDRM CC(C)OCCCNC(=O)C(C#N)=C([O-])c1cc(Br)cn1C(C)C ZINC000173940512 1426900632 /nfs/dbraw/zinc/90/06/32/1426900632.db2.gz YOWPJACKGJXVQF-CQSZACIVSA-N -1 0 398.301 3.085 20 30 GGEDRM Cc1nc(-c2cccc(C([O-])=C(C#N)C(=O)NCCCOC(C)C)c2)cs1 ZINC000173941059 1426901795 /nfs/dbraw/zinc/90/17/95/1426901795.db2.gz ZKOMDDKAQHHJQE-QGZVFWFLSA-N -1 0 385.489 3.372 20 30 GGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1nc(C(C)C)n(-c2ccccc2F)n1 ZINC000173943243 1426902647 /nfs/dbraw/zinc/90/26/47/1426902647.db2.gz LSOWRZQUEQLGIL-CQSZACIVSA-N -1 0 385.443 3.159 20 30 GGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc(NC(=O)CC(C)C)c(F)c1 ZINC000173943783 1426902680 /nfs/dbraw/zinc/90/26/80/1426902680.db2.gz WSZHRXPLMIBWJZ-HNNXBMFYSA-N -1 0 375.444 3.439 20 30 GGEDRM CCCc1ncc(C([O-])=C(C#N)c2nc(N)nc(Nc3ccccc3)n2)s1 ZINC000173946310 1426903787 /nfs/dbraw/zinc/90/37/87/1426903787.db2.gz YBPDHVHIFQTRAU-GFCCVEGCSA-N -1 0 379.449 3.096 20 30 GGEDRM CC(C)(C)CNC(=O)c1ccc(C([O-])=C(C#N)C(=O)NCc2ccccc2)cc1 ZINC000173955713 1426908132 /nfs/dbraw/zinc/90/81/32/1426908132.db2.gz RHLZNECLRLMCLN-IBGZPJMESA-N -1 0 391.471 3.101 20 30 GGEDRM CC(C)(C)CNC(=O)c1ccc(C([O-])=C(C#N)C(=O)NCc2ccccc2)cc1 ZINC000173955701 1426908373 /nfs/dbraw/zinc/90/83/73/1426908373.db2.gz RHLZNECLRLMCLN-LJQANCHMSA-N -1 0 391.471 3.101 20 30 GGEDRM CC(C)n1cc(Br)cc1C([O-])=C(C#N)C(=O)NCc1ccccc1 ZINC000173954994 1426908641 /nfs/dbraw/zinc/90/86/41/1426908641.db2.gz QUVZAWDIZSKNCK-HNNXBMFYSA-N -1 0 388.265 3.470 20 30 GGEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(NC(=O)c2ccccc2)nc1 ZINC000174009436 1426940833 /nfs/dbraw/zinc/94/08/33/1426940833.db2.gz IBQSNMLGVOWMSA-UHFFFAOYSA-N -1 0 392.440 3.315 20 30 GGEDRM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(NC(=O)c2ccccc2)nc1 ZINC000174009640 1426941584 /nfs/dbraw/zinc/94/15/84/1426941584.db2.gz HWBJFELDFGWTED-UHFFFAOYSA-N -1 0 392.440 3.315 20 30 GGEDRM N#CCc1ccc(NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737698540 1426947562 /nfs/dbraw/zinc/94/75/62/1426947562.db2.gz ZXMZVHJZPGZGGW-UHFFFAOYSA-N -1 0 376.420 3.121 20 30 GGEDRM N#Cc1ccc(-c2nnc(CSc3nc(=O)cc([O-])n3C3CCCC3)o2)cc1 ZINC000174086538 1426994397 /nfs/dbraw/zinc/99/43/97/1426994397.db2.gz RKIHCELULAPXBC-UHFFFAOYSA-N -1 0 395.444 3.278 20 30 GGEDRM C=CCn1c(=O)c2ccc(C(=O)N[C@H](C)CC(C)(C)OC)cc2[n-]c1=S ZINC000174140096 1427018705 /nfs/dbraw/zinc/01/87/05/1427018705.db2.gz RQFLHCRKVUZXTP-GFCCVEGCSA-N -1 0 375.494 3.178 20 30 GGEDRM FC(F)Oc1cc(-c2nn[n-]n2)ccc1CON=C1CCOc2ccccc21 ZINC000822732915 1427031803 /nfs/dbraw/zinc/03/18/03/1427031803.db2.gz OOVJUDPHGQNFMD-UHFFFAOYSA-N -1 0 387.346 3.172 20 30 GGEDRM CC(C)[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1)c1ccccc1 ZINC000174218845 1427055992 /nfs/dbraw/zinc/05/59/92/1427055992.db2.gz KCBPJFZXUSJUKH-QGZVFWFLSA-N -1 0 376.865 3.456 20 30 GGEDRM N#Cc1ccc(NC(=O)C2(c3ccc(F)cc3F)CCC2)cc1-c1nn[n-]n1 ZINC000826385422 1427060811 /nfs/dbraw/zinc/06/08/11/1427060811.db2.gz LTHSICGYNPUCGL-UHFFFAOYSA-N -1 0 380.358 3.077 20 30 GGEDRM N#Cc1cccc(CNc2ccn(-c3ccc(Cl)cc3-c3nn[n-]n3)n2)c1F ZINC000826386928 1427072233 /nfs/dbraw/zinc/07/22/33/1427072233.db2.gz YSRKTPUJOGEVOO-UHFFFAOYSA-N -1 0 394.801 3.329 20 30 GGEDRM CC(C)c1cc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)nn1-c1ccccc1 ZINC000820187833 1427074973 /nfs/dbraw/zinc/07/49/73/1427074973.db2.gz VEEHXGYVRXGALD-UHFFFAOYSA-N -1 0 398.430 3.300 20 30 GGEDRM C=CCN(Cc1c(Cl)nc2ccccn21)Cc1cccc(-c2nn[n-]n2)c1 ZINC000823914819 1427077218 /nfs/dbraw/zinc/07/72/18/1427077218.db2.gz OBKTZNLBXPCYOA-UHFFFAOYSA-N -1 0 379.855 3.356 20 30 GGEDRM Cc1c(C(=O)C=Cc2ccccc2-c2nn[n-]n2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000826234301 1427094358 /nfs/dbraw/zinc/09/43/58/1427094358.db2.gz POJWBRNHWKTQKF-BQYQJAHWSA-N -1 0 394.347 3.196 20 30 GGEDRM O=C(C=Cc1ccc(Oc2cnccn2)cc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826400829 1427111813 /nfs/dbraw/zinc/11/18/13/1427111813.db2.gz JKDNKADYUGDLNA-FPYGCLRLSA-N -1 0 388.362 3.484 20 30 GGEDRM CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820120874 1427136572 /nfs/dbraw/zinc/13/65/72/1427136572.db2.gz 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C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000823909657 1427227473 /nfs/dbraw/zinc/22/74/73/1427227473.db2.gz MOJKLGGLHVETRD-QZTJIDSGSA-N -1 0 398.511 3.158 20 30 GGEDRM COc1ccc(C(=O)C=Cc2cccc(-c3nnn[n-]3)c2)cc1Cn1cccn1 ZINC000821769575 1427248012 /nfs/dbraw/zinc/24/80/12/1427248012.db2.gz IJGARWBCICKUEL-SOFGYWHQSA-N -1 0 386.415 3.016 20 30 GGEDRM Fc1ccc(NC(=S)NN=C2CCCc3cc(-c4nn[n-]n4)ccc32)cc1 ZINC000822778417 1427285783 /nfs/dbraw/zinc/28/57/83/1427285783.db2.gz HKPHEDXRTZBEJI-UHFFFAOYSA-N -1 0 381.440 3.033 20 30 GGEDRM Cc1cc(C)c2cc(C(=O)Nc3ccc(-c4nn[n-]n4)c(C#N)c3)sc2n1 ZINC000737249431 1427287752 /nfs/dbraw/zinc/28/77/52/1427287752.db2.gz ZKELCWSBTHHENQ-UHFFFAOYSA-N -1 0 375.417 3.217 20 30 GGEDRM CC(C)(C)c1ccc([C@@H](C#N)NC(=O)CCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735647927 1427367310 /nfs/dbraw/zinc/36/73/10/1427367310.db2.gz HRLLQKQMNKDVFG-LJQANCHMSA-N -1 0 388.475 3.478 20 30 GGEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1CCO[C@H](C(C)(C)C)C1 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392.864 3.364 20 30 GGEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1ccc2c(c1)CCC(=O)N2CC1CC1 ZINC000187074381 1431606370 /nfs/dbraw/zinc/60/63/70/1431606370.db2.gz LDUSWWGRCCEZIL-UHFFFAOYSA-N -1 0 381.457 3.048 20 30 GGEDRM C=CCn1c(=O)c2ccc(C(=O)NC3(Cc4ccccc4)CC3)cc2[n-]c1=S ZINC000187170585 1431636856 /nfs/dbraw/zinc/63/68/56/1431636856.db2.gz IOTJPIZFEZNWQN-UHFFFAOYSA-N -1 0 391.496 3.376 20 30 GGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)c(C#N)c2)cn1 ZINC000187812149 1431815396 /nfs/dbraw/zinc/81/53/96/1431815396.db2.gz GKNCCJXIPCWCPN-UHFFFAOYSA-N -1 0 376.397 3.418 20 30 GGEDRM N#Cc1cccc(S(=O)(=O)[N-]c2cc(Cl)ccc2OC[C@H]2CCOC2)c1 ZINC000187852912 1431820336 /nfs/dbraw/zinc/82/03/36/1431820336.db2.gz LJHRTGKASYSRPE-AWEZNQCLSA-N -1 0 392.864 3.428 20 30 GGEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000187853038 1431820438 /nfs/dbraw/zinc/82/04/38/1431820438.db2.gz SPPXYFQJXLIPLV-ZDUSSCGKSA-N -1 0 392.864 3.428 20 30 GGEDRM CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1cnc(-c2ccccc2)nc1 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PKMGGSOJFLWQDH-UHFFFAOYSA-N -1 0 386.411 3.227 20 30 GGEDRM O=C([O-])c1cccc(C#Cc2cccc(NC(=O)c3ncncc3Cl)c2)c1 ZINC000190893740 1432521772 /nfs/dbraw/zinc/52/17/72/1432521772.db2.gz YLVWCUOEKIJDBD-UHFFFAOYSA-N -1 0 377.787 3.480 20 30 GGEDRM N#CC(=C([O-])c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)c1cnc2ccccc2n1 ZINC000190904553 1432525502 /nfs/dbraw/zinc/52/55/02/1432525502.db2.gz HRSRKWUGIRQMQE-OAHLLOKOSA-N -1 0 384.355 3.214 20 30 GGEDRM Cc1cc(S(C)(=O)=O)cc(C([O-])=C(C#N)c2cnc3ccccc3n2)c1C ZINC000190930412 1432531887 /nfs/dbraw/zinc/53/18/87/1432531887.db2.gz NCNJKYSKVIYIJS-INIZCTEOSA-N -1 0 379.441 3.140 20 30 GGEDRM COCc1c(C([O-])=C(C#N)c2cnc3ccccc3n2)cnn1-c1ccccc1 ZINC000190929215 1432531899 /nfs/dbraw/zinc/53/18/99/1432531899.db2.gz SPWCUDRSPWEZIQ-MRXNPFEDSA-N -1 0 383.411 3.452 20 30 GGEDRM CCc1ccc(S(C)(=O)=O)cc1C([O-])=C(C#N)c1cnc2ccccc2n1 ZINC000190972637 1432540594 /nfs/dbraw/zinc/54/05/94/1432540594.db2.gz ANFRQXKOHLGNCU-MRXNPFEDSA-N -1 0 379.441 3.086 20 30 GGEDRM C=CCSCCNC(=O)c1ccc(-n2ncc(C(=O)[O-])c2C(F)(F)F)cc1 ZINC000191577959 1432686407 /nfs/dbraw/zinc/68/64/07/1432686407.db2.gz FEIAMGMAAXBVSQ-UHFFFAOYSA-N -1 0 399.394 3.238 20 30 GGEDRM C=C[C@@H](CC(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCCC(=O)N2)c1ccccc1 ZINC000191674386 1432703513 /nfs/dbraw/zinc/70/35/13/1432703513.db2.gz XMSCNPUZVNOWKJ-HNNXBMFYSA-N -1 0 398.484 3.126 20 30 GGEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1ccccc1-c1nnc2n1CCCCC2 ZINC000192518050 1432853967 /nfs/dbraw/zinc/85/39/67/1432853967.db2.gz QKGPLJNFLVDHFE-UHFFFAOYSA-N -1 0 393.472 3.344 20 30 GGEDRM Cc1c(C([O-])=C(C#N)c2nc3ccccc3o2)nnn1Cc1ccc(F)cc1 ZINC000192542515 1432857296 /nfs/dbraw/zinc/85/72/96/1432857296.db2.gz FYOGLFVDFOGCJO-HNNXBMFYSA-N -1 0 375.363 3.405 20 30 GGEDRM Cc1c(C([O-])=C(C#N)c2cnc3ccccc3n2)nnn1Cc1ccc(F)cc1 ZINC000193040323 1432926165 /nfs/dbraw/zinc/92/61/65/1432926165.db2.gz SIQQDACTAXMHOB-INIZCTEOSA-N -1 0 386.390 3.207 20 30 GGEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1ccc2[nH]c3c(c2c1)C[C@H](C)CC3 ZINC000193352018 1432984211 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20 30 GGEDRM CCCCCCC[C@]1(C)NC(=O)N([N-]C(=O)c2cc(F)cc3[nH]cnc32)C1=O ZINC000193712585 1433045140 /nfs/dbraw/zinc/04/51/40/1433045140.db2.gz SUTYMDITDIYJIV-IBGZPJMESA-N -1 0 389.431 3.018 20 30 GGEDRM CCCCCCC[C@@]1(C)NC(=O)N([N-]C(=O)c2cc(F)cc3[nH]cnc32)C1=O ZINC000193712573 1433045261 /nfs/dbraw/zinc/04/52/61/1433045261.db2.gz SUTYMDITDIYJIV-LJQANCHMSA-N -1 0 389.431 3.018 20 30 GGEDRM CCOc1ccc(C#N)cc1[N-]S(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C ZINC000194032171 1433104508 /nfs/dbraw/zinc/10/45/08/1433104508.db2.gz NQIQWZDPXTXWLP-LIRRHRJNSA-N -1 0 376.478 3.094 20 30 GGEDRM C=CCn1c(=O)c2ccc(C(=O)NC[C@@H]3Cc4ccccc43)cc2[n-]c1=S ZINC000194072092 1433111665 /nfs/dbraw/zinc/11/16/65/1433111665.db2.gz YVEADFJVFXCGCC-HNNXBMFYSA-N -1 0 377.469 3.315 20 30 GGEDRM CC(C)S(=O)(=O)c1ccc(C([O-])=C(C#N)c2nc3ccccc3n2C)cc1 ZINC000194085541 1433114225 /nfs/dbraw/zinc/11/42/25/1433114225.db2.gz VYXIDFDNIOJALK-INIZCTEOSA-N -1 0 381.457 3.245 20 30 GGEDRM N#Cc1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)c1 ZINC000194139809 1433124222 /nfs/dbraw/zinc/12/42/22/1433124222.db2.gz DHDRLIUTILITST-UHFFFAOYSA-N -1 0 382.195 3.030 20 30 GGEDRM C=CCn1c(=O)c2ccc(C(=O)N(C)c3cccc(C#N)c3)cc2[n-]c1=S ZINC000194173466 1433131804 /nfs/dbraw/zinc/13/18/04/1433131804.db2.gz SQWOMZPETCNODW-UHFFFAOYSA-N -1 0 376.441 3.019 20 30 GGEDRM C=CCn1c(=O)c2ccc(C(=O)N[C@@]3(C#N)CCC[C@@H](C)C3)cc2[n-]c1=S ZINC000194191900 1433135168 /nfs/dbraw/zinc/13/51/68/1433135168.db2.gz LFUYFOGRLQPUEJ-XCLFUZPHSA-N -1 0 382.489 3.073 20 30 GGEDRM C=CCn1c(=O)c2ccc(C(=O)N[C@H](C#N)C3CCCCC3)cc2[n-]c1=S ZINC000194204883 1433138265 /nfs/dbraw/zinc/13/82/65/1433138265.db2.gz GBCKLNGEMFUNID-QGZVFWFLSA-N -1 0 382.489 3.073 20 30 GGEDRM C=CCn1c(=O)c2ccc(C(=O)N3CCc4cccc(C)c43)cc2[n-]c1=S ZINC000194204856 1433138279 /nfs/dbraw/zinc/13/82/79/1433138279.db2.gz GXYUMCILVHQNLO-UHFFFAOYSA-N -1 0 377.469 3.383 20 30 GGEDRM C=CCn1c(=O)c2ccc(C(=O)Nc3cc([C@@H]4C[C@H]4C)[nH]n3)cc2[n-]c1=S ZINC000194583062 1433201384 /nfs/dbraw/zinc/20/13/84/1433201384.db2.gz ZPHKTSVMPCAZCH-ZWNOBZJWSA-N -1 0 381.461 3.344 20 30 GGEDRM C=CCn1c(=O)c2ccc(C(=O)Nc3cc([C@@H]4C[C@@H]4C)[nH]n3)cc2[n-]c1=S ZINC000194583075 1433201458 /nfs/dbraw/zinc/20/14/58/1433201458.db2.gz ZPHKTSVMPCAZCH-GXFFZTMASA-N -1 0 381.461 3.344 20 30 GGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1nc(C2CC2)n(-c2ccccc2Cl)n1 ZINC000194582010 1433201563 /nfs/dbraw/zinc/20/15/63/1433201563.db2.gz OYSXZIMHMLWVHL-AWEZNQCLSA-N -1 0 399.882 3.427 20 30 GGEDRM COCCNC(=O)C(C#N)=C([O-])c1csc(-c2ccc(Cl)cc2Cl)n1 ZINC000194588255 1433202109 /nfs/dbraw/zinc/20/21/09/1433202109.db2.gz GBZVEDYMAISUCL-NSHDSACASA-N -1 0 398.271 3.202 20 30 GGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2nnc(Cc3ccc(F)cc3)o2)c(Cl)c1 ZINC000194807589 1433236963 /nfs/dbraw/zinc/23/69/63/1433236963.db2.gz HZWWENIOFHWKIQ-UHFFFAOYSA-N -1 0 392.799 3.125 20 30 GGEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1nnc(-c2ccc(C)cc2C)o1 ZINC000194834924 1433244268 /nfs/dbraw/zinc/24/42/68/1433244268.db2.gz XHVNRCPAYBOUPS-UHFFFAOYSA-N -1 0 384.417 3.035 20 30 GGEDRM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1nnc(Cc2ccccc2Cl)o1 ZINC000194966562 1433273677 /nfs/dbraw/zinc/27/36/77/1433273677.db2.gz HJCXUAVTEOFNBT-UHFFFAOYSA-N -1 0 388.836 3.295 20 30 GGEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1nnc(Cc2ccccc2Cl)o1 ZINC000194967988 1433274021 /nfs/dbraw/zinc/27/40/21/1433274021.db2.gz HEPDYJZMRWMFGN-UHFFFAOYSA-N -1 0 388.836 3.295 20 30 GGEDRM Cc1csc(C(C#N)=C([O-])c2ccc(Br)c(S(C)(=O)=O)c2)n1 ZINC000195049102 1433285372 /nfs/dbraw/zinc/28/53/72/1433285372.db2.gz UDHQTMBEPZQBON-JTQLQIEISA-N -1 0 399.291 3.108 20 30 GGEDRM CC(C)c1nc(C([O-])=C(C#N)C(=O)NC2CCCC2)nn1-c1ccccc1Cl ZINC000195069260 1433288224 /nfs/dbraw/zinc/28/82/24/1433288224.db2.gz HORCBXRAINWGSB-CQSZACIVSA-N -1 0 399.882 3.425 20 30 GGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1nc(CC)n(-c2ccccc2Cl)n1 ZINC000195068985 1433288315 /nfs/dbraw/zinc/28/83/15/1433288315.db2.gz LNNMTLBDNKNACW-CYBMUJFWSA-N -1 0 387.871 3.112 20 30 GGEDRM CCCCCNC(=O)C(C#N)=C([O-])c1nc(CC)n(-c2ccccc2Cl)n1 ZINC000195068975 1433288321 /nfs/dbraw/zinc/28/83/21/1433288321.db2.gz LNNMTLBDNKNACW-ZDUSSCGKSA-N -1 0 387.871 3.112 20 30 GGEDRM Cc1cccc(S(=O)(=O)[N-]c2ccc(C)c(C(=O)N(C)C(C)C)c2)c1C#N ZINC000195343520 1433321110 /nfs/dbraw/zinc/32/11/10/1433321110.db2.gz WMCQNHJGENAYHP-UHFFFAOYSA-N -1 0 385.489 3.456 20 30 GGEDRM N#Cc1cccc(CS(=O)(=O)[N-]C(=O)C(c2ccccc2)c2ccccc2)c1 ZINC000195495224 1433336633 /nfs/dbraw/zinc/33/66/33/1433336633.db2.gz UHGWGHKRQSTDDE-UHFFFAOYSA-N -1 0 390.464 3.336 20 30 GGEDRM Cc1nc(-c2ccccc2)c(C(=O)[N-]S(=O)(=O)Cc2cccc(C#N)c2)s1 ZINC000195495180 1433336732 /nfs/dbraw/zinc/33/67/32/1433336732.db2.gz KDLFZNSYTDTKSQ-UHFFFAOYSA-N -1 0 397.481 3.250 20 30 GGEDRM N#Cc1cccc(CS(=O)(=O)[N-]C(=O)CCc2ccc3ccccc3c2)c1 ZINC000195496942 1433336859 /nfs/dbraw/zinc/33/68/59/1433336859.db2.gz WXDLTUHSQDQDBO-UHFFFAOYSA-N -1 0 378.453 3.290 20 30 GGEDRM CC[C@@H](C)c1ccccc1OCC(=O)[N-]S(=O)(=O)Cc1cccc(C#N)c1 ZINC000195495666 1433336879 /nfs/dbraw/zinc/33/68/79/1433336879.db2.gz HVSLVWMVXJPXGV-OAHLLOKOSA-N -1 0 386.473 3.097 20 30 GGEDRM C=CCn1c(SCC(=O)[N-]OCc2ccccc2)nnc1-c1ccoc1C ZINC000198386808 1433349750 /nfs/dbraw/zinc/34/97/50/1433349750.db2.gz FHWSOTOMFNNCSZ-UHFFFAOYSA-N -1 0 384.461 3.373 20 30 GGEDRM COc1ccc(C(=O)/C=C\c2ccc(N3CCOCC3)cc2)cc1CC(=O)[O-] ZINC000207707073 1433354990 /nfs/dbraw/zinc/35/49/90/1433354990.db2.gz WIRGPDVVEICQPL-YWEYNIOJSA-N -1 0 381.428 3.055 20 30 GGEDRM COc1cc(C(=O)/C=C\c2ccc(OCCC(=O)[O-])cc2)cc(OC)c1OC ZINC000207808963 1433355078 /nfs/dbraw/zinc/35/50/78/1433355078.db2.gz AQXZISKEBFBULR-TWGQIWQCSA-N -1 0 386.400 3.462 20 30 GGEDRM COc1ccc(C=CC(=O)[N-]S(=O)(=O)N(C)Cc2ccccc2)cc1OC ZINC000208028903 1433355193 /nfs/dbraw/zinc/35/51/93/1433355193.db2.gz UIJQSDUENIZSHC-BENRWUELSA-N -1 0 390.461 3.050 20 30 GGEDRM COc1cc(C(=O)/C=C\c2cccc(OCCC(=O)[O-])c2)cc(OC)c1OC ZINC000208116064 1433355202 /nfs/dbraw/zinc/35/52/02/1433355202.db2.gz CGYDPCHDOPVYKL-FPLPWBNLSA-N -1 0 386.400 3.462 20 30 GGEDRM Cc1nn(C)c(C)c1CC(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC000237686102 1433416900 /nfs/dbraw/zinc/41/69/00/1433416900.db2.gz RIJHBKGWLZWJBY-UHFFFAOYSA-N -1 0 387.439 3.316 20 30 GGEDRM N#Cc1ccc([O-])c(NC(=O)/C=C\c2ccc(I)o2)c1 ZINC000255834893 1433889901 /nfs/dbraw/zinc/88/99/01/1433889901.db2.gz XVUQPEOHGWVOOG-UTCJRWHESA-N -1 0 380.141 3.113 20 30 GGEDRM Cc1cc(N2CCC(/N=C\c3cc(Cl)cc([N+](=O)[O-])c3[O-])CC2)nc(C)n1 ZINC000254943185 1433872764 /nfs/dbraw/zinc/87/27/64/1433872764.db2.gz XSAUDNZKFCPYPQ-JMIUGGIZSA-N -1 0 389.843 3.449 20 30 GGEDRM CC[C@@H](C)NS(=O)(=O)c1cccc(N=Cc2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000254951729 1433872931 /nfs/dbraw/zinc/87/29/31/1433872931.db2.gz ZSYUDGCVJFSWHA-GFCCVEGCSA-N -1 0 377.422 3.128 20 30 GGEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)/C=C\c2cccs2)cc1C(F)(F)F ZINC000255075822 1433875749 /nfs/dbraw/zinc/87/57/49/1433875749.db2.gz IQVGLNJNNCMCTM-XQRVVYSFSA-N -1 0 386.376 3.157 20 30 GGEDRM N#Cc1ccccc1/C=C\C(=O)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000255132833 1433877133 /nfs/dbraw/zinc/87/71/33/1433877133.db2.gz VDQKXQKUMGHMAM-HJWRWDBZSA-N -1 0 381.240 3.383 20 30 GGEDRM CS(=O)(=O)Cc1ccc(N=Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1F ZINC000255182850 1433878174 /nfs/dbraw/zinc/87/81/74/1433878174.db2.gz VZWMNQNRRDYUIG-UHFFFAOYSA-N -1 0 386.788 3.388 20 30 GGEDRM O=C1[C@H](/N=C\c2cc(Cl)cc([N+](=O)[O-])c2[O-])CCN1c1c(F)cccc1F ZINC000255365808 1433881382 /nfs/dbraw/zinc/88/13/82/1433881382.db2.gz LAGWGUFACFBPPR-UZGPYCRPSA-N -1 0 395.749 3.456 20 30 GGEDRM CON=Cc1ccc(C(=O)[N-]S(=O)(=O)c2cc(Cl)sc2Cl)cc1 ZINC000255473637 1433883333 /nfs/dbraw/zinc/88/33/33/1433883333.db2.gz BHWQLFQMTLHEME-UHFFFAOYSA-N -1 0 393.273 3.154 20 30 GGEDRM N#Cc1ccc(/C=C\c2ccc(OCCn3cc(C(=O)[O-])nn3)c(Cl)c2)nc1 ZINC000255547712 1433884798 /nfs/dbraw/zinc/88/47/98/1433884798.db2.gz PPEAHISCGMAOAO-RJRFIUFISA-N -1 0 395.806 3.146 20 30 GGEDRM Cc1nn(C)c2ncc(/C=C\C(=O)c3ccc(OCCCC(=O)[O-])cc3)cc12 ZINC000255549509 1433884935 /nfs/dbraw/zinc/88/49/35/1433884935.db2.gz LHYVHYVCYKXYRL-YHYXMXQVSA-N -1 0 379.416 3.416 20 30 GGEDRM Cc1c(C(=O)/C=C\c2cccc(OCCC(=O)[O-])c2)nnn1-c1ccc(F)cc1 ZINC000255556945 1433885064 /nfs/dbraw/zinc/88/50/64/1433885064.db2.gz HOQMGBCZRWNUFG-YHYXMXQVSA-N -1 0 395.390 3.464 20 30 GGEDRM COc1ccc(C(=O)/C=C\c2cc([O-])ccc2[N+](=O)[O-])cc1Cn1cccn1 ZINC000255638788 1433887117 /nfs/dbraw/zinc/88/71/17/1433887117.db2.gz MJJVFEIUHFHETH-CLTKARDFSA-N -1 0 379.372 3.450 20 30 GGEDRM Cc1ccc(-n2cc(/C=C\C(=O)c3cnc([O-])n(C)c3=O)c(C(C)(C)C)n2)cc1 ZINC000255695961 1433888020 /nfs/dbraw/zinc/88/80/20/1433888020.db2.gz RBOCBVYVHWPFQA-FLIBITNWSA-N -1 0 392.459 3.174 20 30 GGEDRM Cc1c(N=Cc2cc([N+](=O)[O-])ccc2[O-])cccc1S(=O)(=O)NC(C)(C)C ZINC000255756962 1433889134 /nfs/dbraw/zinc/88/91/34/1433889134.db2.gz SPSLZYTXDBIVKM-UHFFFAOYSA-N -1 0 391.449 3.436 20 30 GGEDRM N#Cc1ccccc1/C=C\C(=O)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000255759027 1433889163 /nfs/dbraw/zinc/88/91/63/1433889163.db2.gz ZDHJRNXFZYWSNN-YHYXMXQVSA-N -1 0 380.347 3.095 20 30 GGEDRM CS(=O)(=O)CCc1ccc(N=Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1 ZINC000255894717 1433891311 /nfs/dbraw/zinc/89/13/11/1433891311.db2.gz OYOWDRLOPLVZPM-UHFFFAOYSA-N -1 0 382.825 3.292 20 30 GGEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)/C=C\c2cccs2)c(C(F)(F)F)c1 ZINC000255908027 1433891599 /nfs/dbraw/zinc/89/15/99/1433891599.db2.gz DLPRVBLJRAICET-XQRVVYSFSA-N -1 0 386.376 3.157 20 30 GGEDRM C=CCc1cc(C(=O)N(C)Cc2ccc(OCC(=O)[O-])cc2)cc(OC)c1OC ZINC000262480709 1433940699 /nfs/dbraw/zinc/94/06/99/1433940699.db2.gz XWVOBDOGKLINGA-UHFFFAOYSA-N -1 0 399.443 3.168 20 30 GGEDRM C=CCC[C@@H](NC(=O)C1CCC(NC(=O)CC2CCCCC2)CC1)C(=O)[O-] ZINC000262773773 1433955072 /nfs/dbraw/zinc/95/50/72/1433955072.db2.gz AMBWLLBLHKLBSC-DAWZGUTISA-N -1 0 378.513 3.167 20 30 GGEDRM C=CCC[C@@H](NC(=O)Cc1csc(COc2ccc(Cl)cc2)n1)C(=O)[O-] ZINC000262834789 1433959970 /nfs/dbraw/zinc/95/99/70/1433959970.db2.gz GEUBHQBIKHYCPC-OAHLLOKOSA-N -1 0 394.880 3.454 20 30 GGEDRM C=CCC[C@@H](NC(=O)c1cnn(-c2ccc(C)cc2)c1C(F)(F)F)C(=O)[O-] ZINC000262917780 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UGJGMJHZSKHAFS-MRXNPFEDSA-N -1 0 391.855 3.035 20 30 GGEDRM N#Cc1cc(NC(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)ccc1OC(F)(F)F ZINC000263139225 1433989266 /nfs/dbraw/zinc/98/92/66/1433989266.db2.gz ZHQOMWRDZPFSQH-MEDUHNTESA-N -1 0 383.326 3.175 20 30 GGEDRM C=CCCO[C@@H](C)C(=O)N(CCC(=O)[O-])Cc1cccc(Br)c1 ZINC000263267488 1433999560 /nfs/dbraw/zinc/99/95/60/1433999560.db2.gz XDMMAZWYQPXHJJ-ZDUSSCGKSA-N -1 0 384.270 3.234 20 30 GGEDRM C=CCc1cc(C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)[O-])cc(OC)c1OC ZINC000263473302 1434008062 /nfs/dbraw/zinc/00/80/62/1434008062.db2.gz SHJOATMYURKFPO-SFHVURJKSA-N -1 0 383.444 3.200 20 30 GGEDRM N#CCCN(CC1CC1)C(=O)c1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC000264058534 1434067366 /nfs/dbraw/zinc/06/73/66/1434067366.db2.gz LCVILTJTXBGGEH-UHFFFAOYSA-N -1 0 389.502 3.315 20 30 GGEDRM Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)N[C@@H](C#N)C(C)(C)C)cc1 ZINC000267536069 1434444299 /nfs/dbraw/zinc/44/42/99/1434444299.db2.gz SQBBOCOUIFMLPC-SFHVURJKSA-N -1 0 385.489 3.464 20 30 GGEDRM 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20 30 GGEDRM Fc1ccc(CN2CCC(C(F)(F)F)(C(F)(F)F)C2)c(-c2nn[n-]n2)c1 ZINC000737648322 1441611748 /nfs/dbraw/zinc/61/17/48/1441611748.db2.gz INMIPNZNEBYWHB-UHFFFAOYSA-N -1 0 383.271 3.323 20 30 GGEDRM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000825972257 1441645154 /nfs/dbraw/zinc/64/51/54/1441645154.db2.gz YEGFVLPRCCXTNX-SFHVURJKSA-N -1 0 375.436 3.053 20 30 GGEDRM Cc1cccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)c1Br ZINC000826296249 1441659295 /nfs/dbraw/zinc/65/92/95/1441659295.db2.gz OQVLHNFWSFWBCH-UHFFFAOYSA-N -1 0 383.209 3.062 20 30 GGEDRM Cc1cc(C)c(C)c(OCCC(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)c1 ZINC000737246872 1441660785 /nfs/dbraw/zinc/66/07/85/1441660785.db2.gz OYVYXYZTQLQVIZ-UHFFFAOYSA-N -1 0 376.420 3.071 20 30 GGEDRM Cn1cc(C=CC(=O)c2cccc(C#N)c2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826359811 1441672143 /nfs/dbraw/zinc/67/21/43/1441672143.db2.gz QUJDWELCQUJYPU-MDZDMXLPSA-N -1 0 381.399 3.035 20 30 GGEDRM N#Cc1ccsc1NC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000737728314 1441687713 /nfs/dbraw/zinc/68/77/13/1441687713.db2.gz LZQFEPRGVGVZNW-UHFFFAOYSA-N -1 0 392.400 3.224 20 30 GGEDRM C[C@H](Sc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000736189070 1441703627 /nfs/dbraw/zinc/70/36/27/1441703627.db2.gz AIPCUDLFNJBCLZ-JTQLQIEISA-N -1 0 396.501 3.408 20 30 GGEDRM N#Cc1ccc(NC2CCC(Oc3ccc(-c4nn[n-]n4)cn3)CC2)c(F)c1 ZINC000826385687 1441734324 /nfs/dbraw/zinc/73/43/24/1441734324.db2.gz XBTCTEVXMCHIPZ-UHFFFAOYSA-N -1 0 379.399 3.075 20 30 GGEDRM C=CCN(Cc1cnc([C@H]2CCCO2)s1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000823914751 1441750502 /nfs/dbraw/zinc/75/05/02/1441750502.db2.gz MUUGDLKKVDGLEM-QGZVFWFLSA-N -1 0 382.493 3.363 20 30 GGEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H](CC)c1nc(C)cs1 ZINC000735420029 1441767560 /nfs/dbraw/zinc/76/75/60/1441767560.db2.gz MBIFCYBCRPKLAE-INIZCTEOSA-N -1 0 397.508 3.481 20 30 GGEDRM CC[C@@H](CC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1)c1ccc(OC)cc1 ZINC000825081887 1441776482 /nfs/dbraw/zinc/77/64/82/1441776482.db2.gz 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1446134964 /nfs/dbraw/zinc/13/49/64/1446134964.db2.gz RFDZPGWFHXIJPT-UHFFFAOYSA-N -1 0 387.447 3.075 20 30 GGEDRM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1c[nH]c(-c2ccccc2)n1 ZINC000735418561 1446135822 /nfs/dbraw/zinc/13/58/22/1446135822.db2.gz GUUNSKBWPUENTL-UHFFFAOYSA-N -1 0 385.431 3.085 20 30 GGEDRM Cc1c(C(=O)C=Cc2cnn(-c3ccccc3)c2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737201661 1446154359 /nfs/dbraw/zinc/15/43/59/1446154359.db2.gz FZAXJXJZUIOHOR-KTKRTIGZSA-N -1 0 385.431 3.005 20 30 GGEDRM C#CCN(CC#CC)C(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000823846150 1446157161 /nfs/dbraw/zinc/15/71/61/1446157161.db2.gz ZVOCPEIIYWDKHM-KRWDZBQOSA-N -1 0 398.470 3.263 20 30 GGEDRM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1c(F)cc(C#N)cc1F ZINC000820120825 1446172342 /nfs/dbraw/zinc/17/23/42/1446172342.db2.gz KPRSECDXSVCNOA-UHFFFAOYSA-N -1 0 382.374 3.067 20 30 GGEDRM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)Cn1ccc(-c2ccsc2)n1 ZINC000735425539 1446206409 /nfs/dbraw/zinc/20/64/09/1446206409.db2.gz BUWBIJCUINCHKC-UHFFFAOYSA-N -1 0 377.477 3.437 20 30 GGEDRM N#Cc1cc(NC(=O)c2ccc(Oc3ccccc3)nc2)ccc1-c1nnn[n-]1 ZINC000737709997 1446210446 /nfs/dbraw/zinc/21/04/46/1446210446.db2.gz TVRPGHABVBBURR-UHFFFAOYSA-N -1 0 383.371 3.178 20 30 GGEDRM N#C[C@@H](C(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000826379030 1446226952 /nfs/dbraw/zinc/22/69/52/1446226952.db2.gz HNFVVZAITBVHNB-LBPRGKRZSA-N -1 0 395.835 3.462 20 30 GGEDRM CC1(C)CSC(=NCc2ccccc2)N1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820607258 1446228948 /nfs/dbraw/zinc/22/89/48/1446228948.db2.gz NXPNTRORWFZDHW-HTXNQAPBSA-N -1 0 398.517 3.452 20 30 GGEDRM N#Cc1ccc(NC(=O)Cc2csc(-c3ccccc3)n2)cc1-c1nnn[n-]1 ZINC000737716228 1446230513 /nfs/dbraw/zinc/23/05/13/1446230513.db2.gz NBOSWIZGNFBMIU-UHFFFAOYSA-N -1 0 387.428 3.043 20 30 GGEDRM CCN(C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)c1ccc(C#N)cc1 ZINC000825371713 1446274695 /nfs/dbraw/zinc/27/46/95/1446274695.db2.gz ITKAPYVMRAEQHZ-UHFFFAOYSA-N -1 0 390.447 3.341 20 30 GGEDRM 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COc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)cc(Cl)c1OC ZINC000826178821 1446452852 /nfs/dbraw/zinc/45/28/52/1446452852.db2.gz NXMMBKMQQWIDGS-ONEGZZNKSA-N -1 0 376.825 3.495 20 30 GGEDRM N#CC1(NC(=O)c2cccc(Oc3cccc(Cl)c3-c3nn[n-]n3)c2)CC1 ZINC000737678462 1446474473 /nfs/dbraw/zinc/47/44/73/1446474473.db2.gz ILNMWMLCMVJLDW-UHFFFAOYSA-N -1 0 380.795 3.098 20 30 GGEDRM CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000820882171 1446494774 /nfs/dbraw/zinc/49/47/74/1446494774.db2.gz LSBWWEIJAXITLH-SMDDNHRTSA-N -1 0 394.460 3.403 20 30 GGEDRM C#CCOc1ccc(NC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000735379924 1446573813 /nfs/dbraw/zinc/57/38/13/1446573813.db2.gz AATPLQYFWFIDOL-UHFFFAOYSA-N -1 0 384.852 3.341 20 30 GGEDRM N#C[C@H](c1ccccc1)[C@@H]1CCCN1CCCOc1cccc(-c2nn[n-]n2)c1 ZINC000822801372 1446582956 /nfs/dbraw/zinc/58/29/56/1446582956.db2.gz HXUSEBGHTOCSOK-RTWAWAEBSA-N -1 0 388.475 3.407 20 30 GGEDRM C=C1CCN(C(=O)c2cccc(COc3cccc(-c4nn[n-]n4)c3)c2)CC1 ZINC000735402428 1446599334 /nfs/dbraw/zinc/59/93/34/1446599334.db2.gz ARBMGGHGDKGARC-UHFFFAOYSA-N -1 0 375.432 3.238 20 30 GGEDRM CC(C)N(CCC#N)C(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735859522 1446619484 /nfs/dbraw/zinc/61/94/84/1446619484.db2.gz VBHFRFGNNZGHFW-UHFFFAOYSA-N -1 0 376.420 3.423 20 30 GGEDRM CC(C)(C)[C@H](C#N)NC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000819899821 1446634685 /nfs/dbraw/zinc/63/46/85/1446634685.db2.gz ZXNBIGNZINXVKS-SFHVURJKSA-N -1 0 390.447 3.114 20 30 GGEDRM COc1cccc(-c2n[nH]cc2C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)c1 ZINC000821854119 1446667604 /nfs/dbraw/zinc/66/76/04/1446667604.db2.gz DXWJJOAELPDFOR-XNTDXEJSSA-N -1 0 398.426 3.478 20 30 GGEDRM C=CCC(CC=C)C(=O)OCc1c(-c2nn[n-]n2)c(C)nn1-c1ccccc1 ZINC000819733891 1446671723 /nfs/dbraw/zinc/67/17/23/1446671723.db2.gz DUEYGCQEHQQTTE-UHFFFAOYSA-N -1 0 378.436 3.172 20 30 GGEDRM N#Cc1cccc(CC(=O)NCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)c1 ZINC000826386526 1446683748 /nfs/dbraw/zinc/68/37/48/1446683748.db2.gz IPTVUGOLRIGUDM-UHFFFAOYSA-N -1 0 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ZINC000820841879 1450251891 /nfs/dbraw/zinc/25/18/91/1450251891.db2.gz GZTNBYOJMHAQNP-HNNXBMFYSA-N -1 0 391.435 3.178 20 30 GGEDRM Cn1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)c(-c2ccc(C#N)cc2)n1 ZINC000826359227 1450253232 /nfs/dbraw/zinc/25/32/32/1450253232.db2.gz AIVNZZVCWQHNDO-VQHVLOKHSA-N -1 0 399.389 3.174 20 30 GGEDRM COc1c(C)cc(C=CC(=O)c2c(C)n3c(c2-c2nn[n-]n2)CCC3)cc1C ZINC000737023725 1450278474 /nfs/dbraw/zinc/27/84/74/1450278474.db2.gz MTMLFWRYIYUWQQ-FPLPWBNLSA-N -1 0 377.448 3.444 20 30 GGEDRM O=C(C=Cc1cnc2ccc(-c3nn[n-]n3)cn12)c1cc2c(s1)CCCC2 ZINC000822936535 1450292680 /nfs/dbraw/zinc/29/26/80/1450292680.db2.gz VJDDJZQPUKUBBP-VOTSOKGWSA-N -1 0 376.445 3.351 20 30 GGEDRM N#Cc1cccc(COC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)c1F ZINC000826386754 1450293464 /nfs/dbraw/zinc/29/34/64/1450293464.db2.gz RNJOXDFKDGLFFF-UHFFFAOYSA-N -1 0 395.394 3.170 20 30 GGEDRM C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000736182369 1450303689 /nfs/dbraw/zinc/30/36/89/1450303689.db2.gz NSGVMQAYBWXGPT-ZDUSSCGKSA-N -1 0 390.447 3.442 20 30 GGEDRM N#C[C@@H](C(=O)Nc1cccc2ccccc21)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000822802075 1450349006 /nfs/dbraw/zinc/34/90/06/1450349006.db2.gz VBQXQPJVNDNXRJ-CYBMUJFWSA-N -1 0 388.412 3.043 20 30 GGEDRM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NCc2cccc(OC(F)(F)F)c2)o1 ZINC000735656701 1450367909 /nfs/dbraw/zinc/36/79/09/1450367909.db2.gz MVYNDGWQWGSJGO-UHFFFAOYSA-N -1 0 395.345 3.497 20 30 GGEDRM CC(C)Oc1ccc(NC(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)cc1C#N ZINC000820166225 1450383500 /nfs/dbraw/zinc/38/35/00/1450383500.db2.gz ULTHUWOXCKYVRJ-UHFFFAOYSA-N -1 0 391.435 3.189 20 30 GGEDRM N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000822802047 1450408205 /nfs/dbraw/zinc/40/82/05/1450408205.db2.gz UOQUCRNCJKNDDN-AEFFLSMTSA-N -1 0 389.488 3.335 20 30 GGEDRM C#CCOc1ccc(C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)CC(C)C)cc1 ZINC000735381725 1450412555 /nfs/dbraw/zinc/41/25/55/1450412555.db2.gz YTZZABKDCCJLFM-UHFFFAOYSA-N -1 0 389.459 3.177 20 30 GGEDRM N#CCOc1ccc(CNc2c(-c3nn[n-]n3)cnc3ccc(Cl)cc32)cc1 ZINC000822815481 1450414427 /nfs/dbraw/zinc/41/44/27/1450414427.db2.gz RLUAHNIWHFOZLS-UHFFFAOYSA-N -1 0 391.822 3.005 20 30 GGEDRM COc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)cc1Cn1cccn1 ZINC000821769714 1450416568 /nfs/dbraw/zinc/41/65/68/1450416568.db2.gz JYOZNDGDOCWDNJ-XQRVVYSFSA-N -1 0 392.444 3.078 20 30 GGEDRM CC(=NNCc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1OC(F)F ZINC000819772991 1450437284 /nfs/dbraw/zinc/43/72/84/1450437284.db2.gz NWYGHXPPSOYYSP-UHFFFAOYSA-N -1 0 376.342 3.121 20 30 GGEDRM Cc1c(C(C)N=Nc2ccc(-c3nn[n-]n3)c(Cl)c2)nnn1-c1ccccc1 ZINC000823958504 1450461145 /nfs/dbraw/zinc/46/11/45/1450461145.db2.gz PFIQNDIPEGOZCM-UHFFFAOYSA-N -1 0 393.842 3.245 20 30 GGEDRM FC(F)Oc1cccc(Cl)c1C=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000822737441 1450471832 /nfs/dbraw/zinc/47/18/32/1450471832.db2.gz VNZZMKIBCVUVJY-UHFFFAOYSA-N -1 0 378.770 3.245 20 30 GGEDRM