smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCn1c(=O)c2ccc(C(=O)N[C@@H]3CCCC[C@@H]3C)cc2[n-]c1=S ZINC000021875453 695649068 /nfs/dbraw/zinc/64/90/68/695649068.db2.gz LKBCXYPVTMTMGG-SWLSCSKDSA-N -1 0 357.479 3.180 20 30 FGEDRM O=C([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1cc(Cl)ccc1F ZINC000042235694 695776461 /nfs/dbraw/zinc/77/64/61/695776461.db2.gz ZOELSWPOXJRGSQ-UHFFFAOYSA-N -1 0 358.734 3.081 20 30 FGEDRM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)COc1cc(C(C)C)ccc1C ZINC000042290398 695778335 /nfs/dbraw/zinc/77/83/35/695778335.db2.gz CWEHMEWBYPBHBM-UHFFFAOYSA-N -1 0 366.439 3.447 20 30 FGEDRM CCCc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(NC(C)=O)cc2)cc1 ZINC000045098542 695816716 /nfs/dbraw/zinc/81/67/16/695816716.db2.gz HKECCFFQWYXYDO-UHFFFAOYSA-N -1 0 360.435 3.291 20 30 FGEDRM COc1ccc(Br)c(C(=O)[N-]S(=O)(=O)c2ccccc2)c1 ZINC000046708731 695845500 /nfs/dbraw/zinc/84/55/00/695845500.db2.gz 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C[C@@H](Oc1ccc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc1)C(=O)[O-] ZINC000794690063 602105227 /nfs/dbraw/zinc/10/52/27/602105227.db2.gz HJKQQBJZXRWGJU-FLUIGGAXSA-N -1 0 354.358 3.206 20 30 FGEDRM C=CCN(CCc1ccccc1)C(=O)N[C@H](C)[C@H]1CCCN(C(=O)[O-])C1 ZINC000738490329 602174390 /nfs/dbraw/zinc/17/43/90/602174390.db2.gz RGLWHAMYXQAFAN-AEFFLSMTSA-N -1 0 359.470 3.205 20 30 FGEDRM C=CCOc1ccc(/C=C/C(=O)N(CC(=O)[O-])C2CCCC2)cc1OC ZINC000825699080 602398882 /nfs/dbraw/zinc/39/88/82/602398882.db2.gz RJPFDAUJXFGUBJ-PKNBQFBNSA-N -1 0 359.422 3.129 20 30 FGEDRM N#Cc1ccccc1Oc1ccc(NC(=O)N[C@@H]2CCN(C(=O)[O-])C2)cc1 ZINC000740322209 602602501 /nfs/dbraw/zinc/60/25/01/602602501.db2.gz SNNTWWYROYGDFA-OAHLLOKOSA-N -1 0 366.377 3.224 20 30 FGEDRM CN(CC(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1)C(=O)[O-] ZINC000739617946 602622348 /nfs/dbraw/zinc/62/23/48/602622348.db2.gz SRJPHSRGTKEYGW-QMMMGPOBSA-N -1 0 357.313 3.101 20 30 FGEDRM C[C@@H](CC#N)Sc1ccccc1NC(=O)NC1CCN(C(=O)[O-])CC1 ZINC000736545034 602690296 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FGEDRM C[C@H](CCNC(=O)c1cccc(Nc2ccc(C#N)cc2)c1)NC(=O)[O-] ZINC000738906184 602829349 /nfs/dbraw/zinc/82/93/49/602829349.db2.gz NYBCPTUNJTYRKE-CYBMUJFWSA-N -1 0 352.394 3.078 20 30 FGEDRM C#CCOc1cccc(NC(=O)[C@@H](C)[C@@H](NC(=O)[O-])c2ccccc2)c1 ZINC000823466437 602888064 /nfs/dbraw/zinc/88/80/64/602888064.db2.gz AJJJCUMKNHBHHD-KBXCAEBGSA-N -1 0 352.390 3.282 20 30 FGEDRM O=C([O-])N1CCC(n2cccc2C(=O)OCC#Cc2ccccc2)CC1 ZINC000740719563 602995631 /nfs/dbraw/zinc/99/56/31/602995631.db2.gz CFDQHFBIRVAZRZ-UHFFFAOYSA-N -1 0 352.390 3.012 20 30 FGEDRM COc1ccccc1[C@H](NC(=O)[O-])C(=O)Nc1sc(C)c(C)c1C#N ZINC000739971759 603075699 /nfs/dbraw/zinc/07/56/99/603075699.db2.gz YJYLOWNDDZLJGI-AWEZNQCLSA-N -1 0 359.407 3.193 20 30 FGEDRM COc1ccccc1[C@H](NC(=O)[O-])C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000739969665 603075753 /nfs/dbraw/zinc/07/57/53/603075753.db2.gz RDBONETYNFKYHV-HNNXBMFYSA-N -1 0 359.769 3.168 20 30 FGEDRM C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@H](CNC(=O)[O-])C1CC1 ZINC000738894051 603117924 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C=CCC[C@@H](NC(=O)CCc1nc(-c2ccc(C(C)C)cc2)no1)C(=O)[O-] ZINC000262939393 497661271 /nfs/dbraw/zinc/66/12/71/497661271.db2.gz PTAFCCDCOVSDBG-MRXNPFEDSA-N -1 0 371.437 3.328 20 30 FGEDRM C[C@@H]1C[C@@H](C(=O)[O-])CN(c2c(C#N)cnc3ccc(OC(F)F)cc32)C1 ZINC000263053021 497692152 /nfs/dbraw/zinc/69/21/52/497692152.db2.gz ACZWUOPGECXSNO-GHMZBOCLSA-N -1 0 361.348 3.255 20 30 FGEDRM CCCNc1ccc(C#N)cc1NC(=O)CSc1n[n-]c(=S)s1 ZINC000268277775 497717421 /nfs/dbraw/zinc/71/74/21/497717421.db2.gz PJEGFPYLNIHSFQ-UHFFFAOYSA-N -1 0 365.509 3.251 20 30 FGEDRM C=CCC1(C(=O)Nc2cccc(C(=O)N3CCCC[C@@H]3C(=O)[O-])c2)CCC1 ZINC000263519020 497795133 /nfs/dbraw/zinc/79/51/33/497795133.db2.gz GGTTVHGAXHWSPW-QGZVFWFLSA-N -1 0 370.449 3.451 20 30 FGEDRM CC[C@@H](NC(=O)N=c1nc(C(C)(C)C)[n-]s1)c1c(C)nn(C)c1C ZINC000331255503 498286324 /nfs/dbraw/zinc/28/63/24/498286324.db2.gz VKXGIAFPQWDWJJ-LLVKDONJSA-N -1 0 350.492 3.085 20 30 FGEDRM N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)CC1(C(=O)[O-])Cc2ccccc2C1 ZINC000576012885 506056075 /nfs/dbraw/zinc/05/60/75/506056075.db2.gz XKLFMOAGCYIFLE-FQEVSTJZSA-N -1 0 374.440 3.312 20 30 FGEDRM CCCCCCC[C@@]1(C)NC(=O)N([N-]C(=O)c2ccc(Cl)nc2)C1=O ZINC000298210850 498696341 /nfs/dbraw/zinc/69/63/41/498696341.db2.gz LAIGBSPNBQEPTP-QGZVFWFLSA-N -1 0 366.849 3.051 20 30 FGEDRM N#Cc1cncc(S(=O)(=O)[N-]c2nc3ccccc3n2C2CCCC2)c1 ZINC000290903452 498717697 /nfs/dbraw/zinc/71/76/97/498717697.db2.gz FMVIFSOBWYOLBU-UHFFFAOYSA-N -1 0 367.434 3.219 20 30 FGEDRM O=C([N-][C@@H](CO)c1ccc(Cl)cc1C(F)(F)F)C(F)C(F)(F)F ZINC000290932552 498727462 /nfs/dbraw/zinc/72/74/62/498727462.db2.gz SGCFGGUAIYJGFS-IUCAKERBSA-N -1 0 367.648 3.409 20 30 FGEDRM Cc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1cnc(C)c(C#N)c1 ZINC000326831146 498847454 /nfs/dbraw/zinc/84/74/54/498847454.db2.gz JIFSHCPGKCDLGL-UHFFFAOYSA-N -1 0 355.341 3.390 20 30 FGEDRM CC(C)(C(=O)Nc1cccc(-c2n[nH]c(=O)[n-]2)c1)c1cc(F)cc(C#N)c1 ZINC000579150358 506104450 /nfs/dbraw/zinc/10/44/50/506104450.db2.gz NZVULJLMZNFLFF-UHFFFAOYSA-N -1 0 365.368 3.104 20 30 FGEDRM CCOc1ccc(C#N)cc1NC(=O)CCc1c(C)nc(SC)[nH]c1=O ZINC000299128761 498972898 /nfs/dbraw/zinc/97/28/98/498972898.db2.gz OFCSIBVVJYMNJL-UHFFFAOYSA-N -1 0 372.450 3.054 20 30 FGEDRM COc1cc(/C=C2/CCc3oc(C(=O)[O-])c(C)c3C2=O)ccc1OCC#N ZINC000299146661 498977663 /nfs/dbraw/zinc/97/76/63/498977663.db2.gz DJYAVDWXOJKKQV-LCYFTJDESA-N -1 0 367.357 3.410 20 30 FGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3cn4c(n3)CCCC4)c2)o1 ZINC000367401752 499194907 /nfs/dbraw/zinc/19/49/07/499194907.db2.gz MPTSDOYLVIVAIU-UHFFFAOYSA-N -1 0 368.418 3.152 20 30 FGEDRM N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)[C@@H]1C[C@@H]1c1cccc(Br)c1 ZINC000570312547 506139178 /nfs/dbraw/zinc/13/91/78/506139178.db2.gz UTBJMZPRYPNZMO-CHWSQXEVSA-N -1 0 371.238 3.085 20 30 FGEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(-c2ccccn2)cn1 ZINC000368441659 499296293 /nfs/dbraw/zinc/29/62/93/499296293.db2.gz HHCJFQHBEOGHPM-UHFFFAOYSA-N -1 0 350.403 3.125 20 30 FGEDRM Cc1n[n-]c(=NC(=O)N[C@@H](C)c2nc(-c3ccc(C#N)cc3)cs2)s1 ZINC000372008894 499389472 /nfs/dbraw/zinc/38/94/72/499389472.db2.gz FUFSJOKCLIGTMW-VIFPVBQESA-N -1 0 370.463 3.146 20 30 FGEDRM C[C@H](Oc1ccc(/C=C2/CC(=O)Nc3ccc(F)cc3C2=O)cc1)C(=O)[O-] ZINC000375572806 499533907 /nfs/dbraw/zinc/53/39/07/499533907.db2.gz HQZILPFTFSTCNQ-LFTLCWSBSA-N -1 0 369.348 3.286 20 30 FGEDRM CCCc1cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)n[nH]1 ZINC000410340472 499656053 /nfs/dbraw/zinc/65/60/53/499656053.db2.gz OEOAXPLVOIIQIT-UHFFFAOYSA-N -1 0 358.345 3.053 20 30 FGEDRM N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000414632528 499815643 /nfs/dbraw/zinc/81/56/43/499815643.db2.gz YEFIXKWXDRDSII-HIEASXQVSA-N -1 0 355.438 3.111 20 30 FGEDRM CCN(CCC#N)C(=O)N=c1[n-]nc(C23CC4CC(CC(C4)C2)C3)s1 ZINC000429101806 500003993 /nfs/dbraw/zinc/00/39/93/500003993.db2.gz XXPMBDTURUQXNF-UHFFFAOYSA-N -1 0 359.499 3.195 20 30 FGEDRM CC#CCN(C)C(=O)N=c1[n-]nc(Cc2ccc(C(F)(F)F)cc2)s1 ZINC000417292670 500030471 /nfs/dbraw/zinc/03/04/71/500030471.db2.gz XOXGJWCNRADIBM-UHFFFAOYSA-N -1 0 368.384 3.057 20 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/nfs/dbraw/zinc/35/83/57/500358357.db2.gz XRNNHBNUCHWOHX-UHFFFAOYSA-N -1 0 370.459 3.494 20 30 FGEDRM Cc1ncc(S(=O)(=O)[N-]c2ccccc2S[C@@H](C)CC#N)cc1C#N ZINC000427215907 500369500 /nfs/dbraw/zinc/36/95/00/500369500.db2.gz BFBFQOWCRDEVTC-LBPRGKRZSA-N -1 0 372.475 3.457 20 30 FGEDRM Cc1ncc(S(=O)(=O)[N-]c2c3c(cc4c2CCC4)CCC3)cc1C#N ZINC000427353059 500384731 /nfs/dbraw/zinc/38/47/31/500384731.db2.gz VOKCJTAFECARJH-UHFFFAOYSA-N -1 0 353.447 3.040 20 30 FGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(OCc3ccccn3)c(F)c2)o1 ZINC000579517833 506193051 /nfs/dbraw/zinc/19/30/51/506193051.db2.gz WGWBZIDCYWRPOW-UHFFFAOYSA-N -1 0 373.365 3.065 20 30 FGEDRM C=C[C@@H](CC(=O)NC[C@@H](Oc1ccc(F)cc1)C(=O)[O-])c1ccccc1 ZINC000431794723 500426074 /nfs/dbraw/zinc/42/60/74/500426074.db2.gz BFFZZBULUYTJNN-KBXCAEBGSA-N -1 0 357.381 3.134 20 30 FGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2nnc(-c3ccsc3)s2)cc1F ZINC000427761791 500428737 /nfs/dbraw/zinc/42/87/37/500428737.db2.gz RPBCTAXHYKOGLO-UHFFFAOYSA-N -1 0 366.424 3.078 20 30 FGEDRM Cc1cccc(-c2cnc([N-]S(=O)(=O)c3cnc(C)c(C#N)c3)s2)c1 ZINC000427766179 500429674 /nfs/dbraw/zinc/42/96/74/500429674.db2.gz NHHGEJUEDPUNRC-UHFFFAOYSA-N -1 0 370.459 3.494 20 30 FGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2n[nH]c3c2cccc3Cl)cc1F ZINC000427773276 500430354 /nfs/dbraw/zinc/43/03/54/500430354.db2.gz JAYHBVWMBYBTHQ-UHFFFAOYSA-N -1 0 350.762 3.028 20 30 FGEDRM Cc1ncc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)cn2)cc1C#N ZINC000427787296 500432878 /nfs/dbraw/zinc/43/28/78/500432878.db2.gz IJQHTLCZGNSJMX-UHFFFAOYSA-N -1 0 366.402 3.250 20 30 FGEDRM Cc1ncc(S(=O)(=O)[N-]c2nc(CC(C)(C)C)cs2)cc1C#N ZINC000427793382 500433355 /nfs/dbraw/zinc/43/33/55/500433355.db2.gz ASSUOQXUZIGRAI-UHFFFAOYSA-N -1 0 350.469 3.108 20 30 FGEDRM C=CCCCS(=O)(=O)[N-]c1nc(-c2ccc3c(c2)OCO3)cs1 ZINC000427794508 500433594 /nfs/dbraw/zinc/43/35/94/500433594.db2.gz UVLFOMZKNOPTFQ-UHFFFAOYSA-N -1 0 352.437 3.247 20 30 FGEDRM Cc1c([N-]S(=O)(=O)c2cnc(C)c(C#N)c2)noc1-c1ccccc1F ZINC000427803548 500434763 /nfs/dbraw/zinc/43/47/63/500434763.db2.gz WUEJPKHBHKIOCG-UHFFFAOYSA-N -1 0 372.381 3.165 20 30 FGEDRM C=C(C)CNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1C ZINC000428112948 500470563 /nfs/dbraw/zinc/47/05/63/500470563.db2.gz CKDNURDDFVCSIN-UHFFFAOYSA-N -1 0 362.426 3.241 20 30 FGEDRM CC(C)C[C@@H](CNC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)C(=O)[O-] ZINC000424382921 500494417 /nfs/dbraw/zinc/49/44/17/500494417.db2.gz CCHTWGMEBYAKGZ-NSHDSACASA-N -1 0 373.331 3.325 20 30 FGEDRM Cc1[n-][nH]c(=NC(=O)c2sc3ccccc3c2Br)c1C#N ZINC000573493585 506204041 /nfs/dbraw/zinc/20/40/41/506204041.db2.gz APXPQNKWENCCDX-UHFFFAOYSA-N -1 0 361.224 3.241 20 30 FGEDRM N#Cc1ccc(-n2ccc(NC(=O)c3cc(F)c([O-])c(F)c3)n2)c(Cl)c1 ZINC000436964362 500581227 /nfs/dbraw/zinc/58/12/27/500581227.db2.gz FWJCJVPOVGRMOG-UHFFFAOYSA-N -1 0 374.734 3.055 20 30 FGEDRM Cc1nc(C)c([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)s1 ZINC000447400954 500601129 /nfs/dbraw/zinc/60/11/29/500601129.db2.gz UAXNYEMNLISLSN-UHFFFAOYSA-N -1 0 361.370 3.451 20 30 FGEDRM N#Cc1ccc(F)c(CNC(=O)c2nn(-c3ccc(Cl)cc3)cc2[O-])c1 ZINC000447525053 500617056 /nfs/dbraw/zinc/61/70/56/500617056.db2.gz WBSPXYJZTBWEFL-UHFFFAOYSA-N -1 0 370.771 3.172 20 30 FGEDRM N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)c1cc(Cl)ccc1Br ZINC000573517438 506207127 /nfs/dbraw/zinc/20/71/27/506207127.db2.gz LSVVJLHIUGVDIN-UHFFFAOYSA-N -1 0 365.618 3.249 20 30 FGEDRM COc1ccc(-c2ccc(C)c([N-]S(=O)(=O)c3ccc(C#N)o3)c2)cn1 ZINC000576665229 506207226 /nfs/dbraw/zinc/20/72/26/506207226.db2.gz YAPQQASGJVEGNO-UHFFFAOYSA-N -1 0 369.402 3.331 20 30 FGEDRM CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000442827906 500631452 /nfs/dbraw/zinc/63/14/52/500631452.db2.gz LEROLFQJTWFOHK-UHFFFAOYSA-N -1 0 371.340 3.172 20 30 FGEDRM C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1nn(-c2ccc(C(C)C)cc2)cc1[O-] ZINC000437480056 500649436 /nfs/dbraw/zinc/64/94/36/500649436.db2.gz VLBFRXZMKCHEEV-OXJNMPFZSA-N -1 0 369.465 3.412 20 30 FGEDRM CCCCS(=O)(=O)Nc1ccc(NC(=O)c2ccc(C#N)c([O-])c2)cc1 ZINC000442983729 500659091 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CCO[C@@H](C)c1ncc(C(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)s1 ZINC000829908534 601354888 /nfs/dbraw/zinc/35/48/88/601354888.db2.gz ZSPJBTLWWXDYQP-HZMBPMFUSA-N -1 0 360.391 3.095 20 30 FGEDRM CC[C@H](Oc1cccc(C)c1)C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000829015108 601355567 /nfs/dbraw/zinc/35/55/67/601355567.db2.gz XEIFRRAQLDPCLU-ZWKOTPCHSA-N -1 0 353.374 3.393 20 30 FGEDRM COc1cccc(/C(C)=C/C(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000832528849 601359119 /nfs/dbraw/zinc/35/91/19/601359119.db2.gz SDWNQDKMNITTKI-XWGMLZDCSA-N -1 0 351.358 3.339 20 30 FGEDRM C[C@@H](Oc1ccccc1C#N)c1nc(COc2cccc(C(=O)[O-])c2)no1 ZINC000827896249 601366992 /nfs/dbraw/zinc/36/69/92/601366992.db2.gz RPRKHYDERRPSBF-GFCCVEGCSA-N -1 0 365.345 3.358 20 30 FGEDRM N#C[C@@H](c1ccccc1)[C@H]1CCCN1Cn1nc(C(=O)[O-])c2ccccc21 ZINC000833065061 601370930 /nfs/dbraw/zinc/37/09/30/601370930.db2.gz RBUMXNFQIQFARV-ZWKOTPCHSA-N -1 0 360.417 3.464 20 30 FGEDRM CC[C@@](C)(CC(=O)[O-])NC(=O)c1cc(C)n(-c2ccc(C#N)cc2)c1C ZINC000828634302 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FGEDRM Cc1cc(C(=O)N[C@@](C)(C#N)C2CCCCC2)cc(C)c1OCC(=O)[O-] ZINC000832862849 601689284 /nfs/dbraw/zinc/68/92/84/601689284.db2.gz BHHLTMAZIGVLRT-FQEVSTJZSA-N -1 0 358.438 3.359 20 30 FGEDRM CON=Cc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)cc1 ZINC000831836884 601733667 /nfs/dbraw/zinc/73/36/67/601733667.db2.gz RCFZKDPIDCWJKE-INIZCTEOSA-N -1 0 360.797 3.266 20 30 FGEDRM O=C([O-])c1ccc(COc2ccccc2C=NNC2CCOCC2)cc1 ZINC000833315625 601848574 /nfs/dbraw/zinc/84/85/74/601848574.db2.gz XROCLKUAUOZREQ-UHFFFAOYSA-N -1 0 354.406 3.066 20 30 FGEDRM N#Cc1ccccc1Oc1ccc(NC(=O)[C@H]2CSCN2C(=O)[O-])cc1 ZINC000740322755 601898487 /nfs/dbraw/zinc/89/84/87/601898487.db2.gz ZPSGKUGUZNQAIQ-OAHLLOKOSA-N -1 0 369.402 3.342 20 30 FGEDRM CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCC1(NC(=O)[O-])CCCCC1 ZINC000738852962 601971415 /nfs/dbraw/zinc/97/14/15/601971415.db2.gz MTLKFRCQERCBDI-UHFFFAOYSA-N -1 0 372.469 3.449 20 30 FGEDRM C[C@@]1(C(=O)[O-])CCN(C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)C1 ZINC000828016769 602038141 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FGEDRM N#Cc1ccc(SCC(=O)N2CCCC[C@H]2[C@H]2CCCN2C(=O)[O-])cc1 ZINC000740321308 602298219 /nfs/dbraw/zinc/29/82/19/602298219.db2.gz GJEJZTJHMFHQGQ-DLBZAZTESA-N -1 0 373.478 3.174 20 30 FGEDRM N#Cc1ccc(Oc2cccc(C(=O)N3CC[C@H](CNC(=O)[O-])C3)c2)cc1 ZINC000740321714 602299730 /nfs/dbraw/zinc/29/97/30/602299730.db2.gz RPXLDKTYUXKBKZ-OAHLLOKOSA-N -1 0 365.389 3.080 20 30 FGEDRM CC(C)c1ccc([C@H](CNC(=O)Cc2ccc(C#N)cc2)NC(=O)[O-])cc1 ZINC000738879557 602358976 /nfs/dbraw/zinc/35/89/76/602358976.db2.gz WPZDBAGDAJETKJ-IBGZPJMESA-N -1 0 365.433 3.349 20 30 FGEDRM N#Cc1cccc(Oc2ccc(NC(=O)C3(NC(=O)[O-])CCCC3)cn2)c1 ZINC000740323488 602392849 /nfs/dbraw/zinc/39/28/49/602392849.db2.gz PYKYSZWBGNCSHZ-UHFFFAOYSA-N -1 0 366.377 3.264 20 30 FGEDRM C=C(C)COc1cccc(NC(=O)N2CCC(CN(C)C(=O)[O-])CC2)c1 ZINC000738485521 602412077 /nfs/dbraw/zinc/41/20/77/602412077.db2.gz JJSOJZPAKBLPKW-UHFFFAOYSA-N -1 0 361.442 3.495 20 30 FGEDRM N#Cc1ccsc1C(=O)N(Cc1ccccc1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000740321563 602489661 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/nfs/dbraw/zinc/40/66/29/603406629.db2.gz LACROGIVQCCHNI-UKRRQHHQSA-N -1 0 363.421 3.150 20 30 FGEDRM C[C@H](NC(=O)C[C@H](Cc1ccccc1)NC(=O)[O-])c1ccc(C#N)cc1 ZINC000825100836 603459667 /nfs/dbraw/zinc/45/96/67/603459667.db2.gz KUSFCEXIJVPBLY-KSSFIOAISA-N -1 0 351.406 3.004 20 30 FGEDRM N#Cc1ccc(N2CC[C@H](Nc3cc(NC(=O)[O-])ccc3F)C2=O)cc1 ZINC000831131871 603512620 /nfs/dbraw/zinc/51/26/20/603512620.db2.gz DQUMJPCCUGPBJS-HNNXBMFYSA-N -1 0 354.341 3.005 20 30 FGEDRM CCC(CC)(CNc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1)NC(=O)[O-] ZINC000826566652 603524753 /nfs/dbraw/zinc/52/47/53/603524753.db2.gz RWFVZNCXXPMUKN-UHFFFAOYSA-N -1 0 357.370 3.253 20 30 FGEDRM C[C@H](C#N)CSc1ccccc1NC(=O)N(C)[C@@H]1CCN(C(=O)[O-])C1 ZINC000823648489 603595680 /nfs/dbraw/zinc/59/56/80/603595680.db2.gz TWSKVLFIWAFWEB-CHWSQXEVSA-N -1 0 362.455 3.154 20 30 FGEDRM COC(=O)[C@@H](OC(=O)c1ccc(C)c(NC(=O)[O-])c1)c1cccc(C#N)c1 ZINC000828612405 603613637 /nfs/dbraw/zinc/61/36/37/603613637.db2.gz JTUFMXIPQPCBDX-INIZCTEOSA-N -1 0 368.345 3.028 20 30 FGEDRM CCN(CC1CCN(C(=O)c2cc3ccccc3n2CC#N)CC1)C(=O)[O-] ZINC000827079830 603745891 /nfs/dbraw/zinc/74/58/91/603745891.db2.gz GSESEHOOBPVBJK-UHFFFAOYSA-N -1 0 368.437 3.017 20 30 FGEDRM N#Cc1cnc2c(F)ccc(F)c2c1N1CC[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000831157066 603959423 /nfs/dbraw/zinc/95/94/23/603959423.db2.gz PLQBYSWTGFMZPN-NEPJUHHUSA-N -1 0 358.348 3.106 20 30 FGEDRM COC(=O)[C@@H](OC(=O)c1ccc(C)c(NC(=O)[O-])c1)c1ccc(C#N)cc1 ZINC000828611542 603959571 /nfs/dbraw/zinc/95/95/71/603959571.db2.gz AZNUDCDMMWAFEX-INIZCTEOSA-N -1 0 368.345 3.028 20 30 FGEDRM COc1ccc(C#N)cc1NC(=O)Nc1cccc2c1CCN2C(=O)[O-] ZINC000829269282 603970560 /nfs/dbraw/zinc/97/05/60/603970560.db2.gz SOUWUGDZHCQBKC-UHFFFAOYSA-N -1 0 352.350 3.251 20 30 FGEDRM CC(C)N(Cc1ccc(C#N)cc1)C(=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000824346287 604209882 /nfs/dbraw/zinc/20/98/82/604209882.db2.gz FCURLVFDIAWOMI-AYHJJNSGSA-N -1 0 370.453 3.152 20 30 FGEDRM N#C[C@@H](C(=O)[C@@H](CNC(=O)[O-])c1ccccc1)c1ccc2ccccc2n1 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602161871 /nfs/dbraw/zinc/16/18/71/602161871.db2.gz MSIWINZEVZGUNM-UHFFFAOYSA-N -1 0 371.458 3.021 20 30 FGEDRM Cc1cc(C=NNCc2cnc3ccccc3c2)cc(C)c1OCC(=O)[O-] ZINC000832881769 602185139 /nfs/dbraw/zinc/18/51/39/602185139.db2.gz VNLRTTDTDCSCMN-UHFFFAOYSA-N -1 0 363.417 3.439 20 30 FGEDRM CCC[C@@](C)(NC(=O)[O-])C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000739292642 602187007 /nfs/dbraw/zinc/18/70/07/602187007.db2.gz ACLPDEAFECFKDF-GOSISDBHSA-N -1 0 372.450 3.370 20 30 FGEDRM C[C@@H](CCNC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)NC(=O)[O-] ZINC000738904252 602298475 /nfs/dbraw/zinc/29/84/75/602298475.db2.gz JPFCMXSPOHWBJE-ZDUSSCGKSA-N -1 0 353.378 3.127 20 30 FGEDRM C=C(C)COc1cccc(NC(=O)N2CCC[C@H](CN(C)C(=O)[O-])C2)c1 ZINC000738485820 602330564 /nfs/dbraw/zinc/33/05/64/602330564.db2.gz SQNAXPIIHOODKY-OAHLLOKOSA-N -1 0 361.442 3.495 20 30 FGEDRM COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000831734855 602371843 /nfs/dbraw/zinc/37/18/43/602371843.db2.gz CDTREGBFVJJEQW-UHFFFAOYSA-N -1 0 371.368 3.076 20 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3.167 20 30 FGEDRM C=CCN(Cc1cc(Br)ccc1F)C(=O)C[C@@H](C)NC(=O)[O-] ZINC000823500207 602784333 /nfs/dbraw/zinc/78/43/33/602784333.db2.gz BTCHYLNMXAQMBZ-SNVBAGLBSA-N -1 0 373.222 3.149 20 30 FGEDRM CC(C)(CCC(=O)[C@@H](C#N)c1nc(-c2ccncc2)cs1)NC(=O)[O-] ZINC000738740644 602925918 /nfs/dbraw/zinc/92/59/18/602925918.db2.gz VDQDDOJAQFOVTH-GFCCVEGCSA-N -1 0 358.423 3.208 20 30 FGEDRM CCN(Cc1ccccc1NS(=O)(=O)c1ccc(C#N)cc1C)C(=O)[O-] ZINC000739443402 602971689 /nfs/dbraw/zinc/97/16/89/602971689.db2.gz DXDQLRBNBMHMHD-UHFFFAOYSA-N -1 0 373.434 3.167 20 30 FGEDRM N#CCSc1ccccc1C(=O)NC[C@@H](NC(=O)[O-])c1ccccc1 ZINC000740309828 603015932 /nfs/dbraw/zinc/01/59/32/603015932.db2.gz CSHWSFYHNNVXCZ-OAHLLOKOSA-N -1 0 355.419 3.041 20 30 FGEDRM N#Cc1ccc(Oc2cccc(C(=O)N3CCC[C@H]3CNC(=O)[O-])c2)cc1 ZINC000831141134 603108963 /nfs/dbraw/zinc/10/89/63/603108963.db2.gz DRHNKSQXHYTLCC-INIZCTEOSA-N -1 0 365.389 3.223 20 30 FGEDRM C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@H](CNC(=O)[O-])C1CC1 ZINC000738603886 603117434 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C[C@H](S[C@@H](C)C(=O)NCc1ccc(-c2ccccc2C#N)cc1)C(=O)[O-] ZINC000601986403 507540347 /nfs/dbraw/zinc/54/03/47/507540347.db2.gz DFNUHLKBIJURGK-KBPBESRZSA-N -1 0 368.458 3.436 20 30 FGEDRM CC(C)(C)OC(=O)c1cnc(C([O-])=C(C#N)c2nc(C3CC3)cs2)cn1 ZINC000592402189 507641909 /nfs/dbraw/zinc/64/19/09/507641909.db2.gz OLRGWZCXLWTRCI-LLVKDONJSA-N -1 0 370.434 3.256 20 30 FGEDRM O=C(C=Cc1cc(Cl)ccc1[N+](=O)[O-])c1cccc(-c2nn[nH]n2)c1 ZINC000737798055 598825211 /nfs/dbraw/zinc/82/52/11/598825211.db2.gz SZPRFNGXEMGUPY-DAXSKMNVSA-N -1 0 355.741 3.324 20 30 FGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC(c2ccc(C(F)(F)F)cc2)CC1 ZINC000819811555 597608413 /nfs/dbraw/zinc/60/84/13/597608413.db2.gz QSXNRDJBFLNELK-KRWDZBQOSA-N -1 0 368.355 3.416 20 30 FGEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)OCc1cc(Br)ccc1Cl ZINC000819874086 597616650 /nfs/dbraw/zinc/61/66/50/597616650.db2.gz GWHVKYQZUBLXJE-ZDUSSCGKSA-N -1 0 360.591 3.150 20 30 FGEDRM CCc1ccc(-c2nc(COC(=O)[C@@](C)(C#N)CC(=O)[O-])cs2)cc1 ZINC000820480120 597620168 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FGEDRM Cc1cc(Cl)ccc1OCC(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000738399546 600604705 /nfs/dbraw/zinc/60/47/05/600604705.db2.gz NBYRYDBFIBPOPU-QGZVFWFLSA-N -1 0 359.765 3.268 20 30 FGEDRM N#Cc1ccsc1C(=O)NC[C@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC000739142828 600605267 /nfs/dbraw/zinc/60/52/67/600605267.db2.gz RGOLDNPEPSKRTA-KRWDZBQOSA-N -1 0 364.426 3.446 20 30 FGEDRM Cc1nc2ccc(C(=O)O[C@H](C(=O)[O-])c3ccc(C#N)cc3)cc2nc1C ZINC000738876607 600608748 /nfs/dbraw/zinc/60/87/48/600608748.db2.gz ZZNGDNVSQFPWFD-SFHVURJKSA-N -1 0 361.357 3.101 20 30 FGEDRM CC(=O)Nc1cc(Cl)ccc1C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000736157106 600615239 /nfs/dbraw/zinc/61/52/39/600615239.db2.gz CDIVZTMIGCGVNY-INIZCTEOSA-N -1 0 372.764 3.153 20 30 FGEDRM N#Cc1ccc([C@H](OC(=O)Cc2coc(-c3cccs3)n2)C(=O)[O-])cc1 ZINC000739115282 600617184 /nfs/dbraw/zinc/61/71/84/600617184.db2.gz PGSSQOHMEPBXHI-INIZCTEOSA-N -1 0 368.370 3.186 20 30 FGEDRM N#Cc1ccc([C@@H](OC(=O)c2cnc(-c3ccccn3)s2)C(=O)[O-])cc1 ZINC000739116854 600617261 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C#CCOc1ccc(C(=O)N(CCC(=O)[O-])Cc2ccc(F)c(F)c2)cc1 ZINC000238129840 600841558 /nfs/dbraw/zinc/84/15/58/600841558.db2.gz HLYKVJPHJDDJPK-UHFFFAOYSA-N -1 0 373.355 3.094 20 30 FGEDRM Cc1nnc(S[C@@H](C(=O)[O-])c2ccc(C#N)cc2)n1Cc1ccccc1 ZINC000738932664 600936455 /nfs/dbraw/zinc/93/64/55/600936455.db2.gz WYANATJGMNTXMT-QGZVFWFLSA-N -1 0 364.430 3.425 20 30 FGEDRM N#CCN(CC(=O)[O-])C(=O)c1ccc(Oc2ccc(Cl)cc2)c(F)c1 ZINC000833066391 600963761 /nfs/dbraw/zinc/96/37/61/600963761.db2.gz XFODCSZXLUZOFT-UHFFFAOYSA-N -1 0 362.744 3.322 20 30 FGEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)c1nc(C)ncc1Cl ZINC000736115189 600997390 /nfs/dbraw/zinc/99/73/90/600997390.db2.gz XRFNEWVEGDUGDO-UHFFFAOYSA-N -1 0 362.769 3.093 20 30 FGEDRM C=CCn1c(SC/C=C(\C)C(=O)[O-])nc2cc(Cl)ccc2c1=O ZINC000736118589 601096882 /nfs/dbraw/zinc/09/68/82/601096882.db2.gz WRNGFSMWATUKKG-UXBLZVDNSA-N -1 0 350.827 3.359 20 30 FGEDRM O=C([O-])Cc1sc(NC(=O)C#Cc2ccccc2)nc1-c1ccccc1 ZINC000833270144 601278646 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/nfs/dbraw/zinc/38/20/91/725382091.db2.gz MWWDFDVDSNXFHT-UHFFFAOYSA-N -1 0 351.815 3.115 20 30 FGEDRM Cc1nnc(NN=C(Cc2ccc(F)cc2Cl)c2ccoc2)[n-]c1=O ZINC000814734867 726995951 /nfs/dbraw/zinc/99/59/51/726995951.db2.gz JLKDDSKIKXJSFM-UHFFFAOYSA-N -1 0 361.764 3.330 20 30 FGEDRM CC(N=Nc1ccc(S(C)(=O)=O)cc1)[C@@H]1C[C@H](CC(=O)[O-])C1(C)C ZINC000814802507 727002520 /nfs/dbraw/zinc/00/25/20/727002520.db2.gz KTCOTJUUVAWJCE-DOMZBBRYSA-N -1 0 352.456 3.015 20 30 FGEDRM CC(=NNc1ccc(S(=O)(=O)C(F)F)cc1)c1csc(C(=O)[O-])c1 ZINC000814828736 727004127 /nfs/dbraw/zinc/00/41/27/727004127.db2.gz PXCHCIPZXAXLNV-UHFFFAOYSA-N -1 0 374.390 3.279 20 30 FGEDRM C[C@H]1C(N=Nc2ccccc2S(C)(=O)=O)CC[C@@H](C(=O)[O-])C1(C)C ZINC000814879704 727008216 /nfs/dbraw/zinc/00/82/16/727008216.db2.gz YHYHXKCWIZDWIZ-RYUDHWBXSA-N -1 0 352.456 3.015 20 30 FGEDRM O=C([O-])C1(c2cccc(Br)c2)CC(=NO[C@H]2CCCCO2)C1 ZINC000814887112 727008949 /nfs/dbraw/zinc/00/89/49/727008949.db2.gz INPWQOGEZDSPRW-LBAUFKAWSA-N -1 0 368.227 3.465 20 30 FGEDRM CC(N=Nc1ccccc1S(=O)(=O)N(C)C)[C@@H](C)CCCCC(=O)[O-] ZINC000814939708 727012825 /nfs/dbraw/zinc/01/28/25/727012825.db2.gz BEDOJCUULMZQQE-ZDUSSCGKSA-N -1 0 369.487 3.006 20 30 FGEDRM CC#CCS(=O)(=O)[N-]C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)o1 ZINC000816056344 727120397 /nfs/dbraw/zinc/12/03/97/727120397.db2.gz OJGKIAMEXFAJFL-UHFFFAOYSA-N -1 0 371.336 3.048 20 30 FGEDRM CCC(N=Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cn1)C1CCC1 ZINC000834939946 729847251 /nfs/dbraw/zinc/84/72/51/729847251.db2.gz YAFUAFLGDMLNOU-UHFFFAOYSA-N -1 0 359.455 3.255 20 30 FGEDRM Cc1c2cc(C#N)ccc2sc1C(=O)[N-]S(=O)(=O)[C@@H]1C[C@@H]2CC[C@H]1C2 ZINC000835740508 729914784 /nfs/dbraw/zinc/91/47/84/729914784.db2.gz MEEGBQXDVGDQON-PVXIVEMSSA-N -1 0 374.487 3.330 20 30 FGEDRM C=CCN(CC(=O)[O-])C(=O)NCC(C)(C)c1ccc(C(F)(F)F)cc1 ZINC000837300554 730015807 /nfs/dbraw/zinc/01/58/07/730015807.db2.gz FNNLBMISDATHSX-UHFFFAOYSA-N -1 0 358.360 3.265 20 30 FGEDRM CCC(N=Nc1ccc(S(=O)(=O)[N-]c2nncs2)cc1)[C@@H]1C[C@H]1C ZINC000841629513 730260944 /nfs/dbraw/zinc/26/09/44/730260944.db2.gz PDQDGIGPBMFUKA-ZWNOBZJWSA-N -1 0 365.484 3.173 20 30 FGEDRM CC[C@H](NC(=O)C(C#N)=C([O-])c1cccc(SC)n1)c1ccccc1 ZINC000842771196 730541500 /nfs/dbraw/zinc/54/15/00/730541500.db2.gz IAWBWXMBDWAIEX-GJZGRUSLSA-N -1 0 353.447 3.393 20 30 FGEDRM C[C@H](C(=O)[N-]S(=O)(=O)CC1(C#N)CCCCC1)c1ccc(Cl)cc1 ZINC000845515914 730860911 /nfs/dbraw/zinc/86/09/11/730860911.db2.gz WRKGELZKONUXGV-ZDUSSCGKSA-N -1 0 368.886 3.364 20 30 FGEDRM N#CC(C(=O)c1cc2n(n1)CCCC2)=C([O-])c1cc2c(s1)CCCC2 ZINC000845832777 730900949 /nfs/dbraw/zinc/90/09/49/730900949.db2.gz GRLNYFKGPUHNMV-CQSZACIVSA-N -1 0 353.447 3.365 20 30 FGEDRM N#CC(C(=O)c1ccn(CC(F)F)n1)=C([O-])c1cc2c(s1)CCCC2 ZINC000845835051 730901487 /nfs/dbraw/zinc/90/14/87/730901487.db2.gz VRGIULZCRXOKNT-LLVKDONJSA-N -1 0 363.389 3.294 20 30 FGEDRM CO[C@H](CC(=O)C(C#N)=C([O-])c1cc2c(s1)CCCC2)C(F)(F)F ZINC000845834622 730901498 /nfs/dbraw/zinc/90/14/98/730901498.db2.gz VGFRBBMIWSLYMZ-IINYFYTJSA-N -1 0 359.369 3.486 20 30 FGEDRM CCOc1cnc(C(=O)C(C#N)=C([O-])c2cc3c(s2)CCCC3)cn1 ZINC000845835254 730901549 /nfs/dbraw/zinc/90/15/49/730901549.db2.gz YMQAVBXUCDOTQX-LBPRGKRZSA-N -1 0 355.419 3.021 20 30 FGEDRM C[C@@H](NC(=O)C(C)(C)C)C(=O)C(C#N)=C([O-])c1cc2c(s1)CCCC2 ZINC000845836966 730901737 /nfs/dbraw/zinc/90/17/37/730901737.db2.gz NMPAUBCYAVYAPP-DGCLKSJQSA-N -1 0 360.479 3.069 20 30 FGEDRM N#CC(C(=O)COC1CCCC1)=C([O-])c1sccc1Br ZINC000845847020 730903094 /nfs/dbraw/zinc/90/30/94/730903094.db2.gz LNYHXNNVDODEHS-SNVBAGLBSA-N -1 0 356.241 3.361 20 30 FGEDRM C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1cc(F)c(SC(C)(C)C)c(F)c1 ZINC000846154619 730932361 /nfs/dbraw/zinc/93/23/61/730932361.db2.gz BPSIZYRNGPPGKQ-SECBINFHSA-N -1 0 358.410 3.416 20 30 FGEDRM C=C[C@H](C)O[N-]C(=O)C(=O)Nc1cc(C)ccc1SCC(F)(F)F ZINC000846156166 730932643 /nfs/dbraw/zinc/93/26/43/730932643.db2.gz YYKXAWYLNWTNBB-JTQLQIEISA-N -1 0 362.373 3.210 20 30 FGEDRM C[C@@H]1CCc2sc(NC(=O)C[C@]3(C(=O)[O-])CCOC3)c(C#N)c2[C@H]1C ZINC000849181419 731234359 /nfs/dbraw/zinc/23/43/59/731234359.db2.gz NNKZSYPSBRVBQB-LIBAHTEVSA-N -1 0 362.451 3.125 20 30 FGEDRM CC(C)C[C@H](C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)c1ccc(Cl)cc1 ZINC000850928933 731401950 /nfs/dbraw/zinc/40/19/50/731401950.db2.gz HDSXJHGTDYTOMM-HNNXBMFYSA-N -1 0 370.902 3.465 20 30 FGEDRM CCCCC[C@@H](C)CC(=O)[N-]S(=O)(=O)Cc1cc(C#N)ccc1F ZINC000851192866 731435905 /nfs/dbraw/zinc/43/59/05/731435905.db2.gz VDAUMLKMZWNXCJ-CYBMUJFWSA-N -1 0 354.447 3.250 20 30 FGEDRM CCCC[C@@H](CC)CC(=O)[N-]S(=O)(=O)Cc1cc(C#N)ccc1F ZINC000851192104 731436131 /nfs/dbraw/zinc/43/61/31/731436131.db2.gz AFMKPZNZZHUGDM-CYBMUJFWSA-N -1 0 354.447 3.250 20 30 FGEDRM CC(C)(C)CCCCC(=O)[N-]S(=O)(=O)Cc1cc(C#N)ccc1F ZINC000851191951 731436144 /nfs/dbraw/zinc/43/61/44/731436144.db2.gz UDVHBCQSDGLDBZ-UHFFFAOYSA-N -1 0 354.447 3.250 20 30 FGEDRM N#Cc1ccc(F)c(CS(=O)(=O)[N-]C(=O)CCCC2CCCC2)c1 ZINC000851192948 731436154 /nfs/dbraw/zinc/43/61/54/731436154.db2.gz XRJNPJUSBFZCNS-UHFFFAOYSA-N -1 0 352.431 3.004 20 30 FGEDRM C=CCCO[N-]C(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000856033750 731977338 /nfs/dbraw/zinc/97/73/38/731977338.db2.gz PUGYBYBMJGCNEI-ABAIWWIYSA-N -1 0 357.237 3.137 20 30 FGEDRM CCCCCC[C@H](C)C(=O)[N-]S(=O)(=O)Cc1ccc(C#N)cc1F ZINC000861013464 732608601 /nfs/dbraw/zinc/60/86/01/732608601.db2.gz IESQABOVVACUTC-ZDUSSCGKSA-N -1 0 354.447 3.250 20 30 FGEDRM C=C(Cl)C[C@@H](NS(=O)(=O)Cc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000863420278 732960603 /nfs/dbraw/zinc/96/06/03/732960603.db2.gz IOTCDFZPMOITGT-LLVKDONJSA-N -1 0 372.657 3.009 20 30 FGEDRM O=c1c2ccccc2[n-]c(=S)n1N=C1CCCOc2ccc(F)cc21 ZINC000863967259 733020091 /nfs/dbraw/zinc/02/00/91/733020091.db2.gz CFZZHLCXQYTZLH-UHFFFAOYSA-N -1 0 355.394 3.249 20 30 FGEDRM C=C(Cl)C[C@H](NC(=O)[C@H](C)Oc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000864185352 733037393 /nfs/dbraw/zinc/03/73/93/733037393.db2.gz VQPNPMLYCJUBCB-UFBFGSQYSA-N -1 0 366.628 3.473 20 30 FGEDRM C=C(Cl)C[C@@H](NC(=O)CCc1ccccc1Br)C(=O)[O-] ZINC000864185475 733037731 /nfs/dbraw/zinc/03/77/31/733037731.db2.gz VYYPOBMIZGQECD-GFCCVEGCSA-N -1 0 360.635 3.094 20 30 FGEDRM C=C(C)C[C@@H](NC(=O)[C@H](CC)c1ccc(Br)cc1)C(=O)[O-] ZINC000864187219 733038169 /nfs/dbraw/zinc/03/81/69/733038169.db2.gz GYCGUHORQRNDSO-ZIAGYGMSSA-N -1 0 354.244 3.478 20 30 FGEDRM COCCn1ncc(C([O-])=C(C#N)c2nc3cc(F)ccc3s2)c1C ZINC000870194836 733822162 /nfs/dbraw/zinc/82/21/62/733822162.db2.gz DOIPDSRIRSLPND-GFCCVEGCSA-N -1 0 358.398 3.077 20 30 FGEDRM N#CC(=C([O-])C=CCOC1CCOCC1)c1nc2cc(F)ccc2s1 ZINC000870196185 733822290 /nfs/dbraw/zinc/82/22/90/733822290.db2.gz UQRFERLXOQCWNJ-YUKKFKLSSA-N -1 0 360.410 3.363 20 30 FGEDRM CC(CCc1ccc(OCC(=O)[O-])cc1)=NNC[C@H]1CCCC1(F)F ZINC000872407301 735624667 /nfs/dbraw/zinc/62/46/67/735624667.db2.gz PWQFFXWLWBWOJL-OAHLLOKOSA-N -1 0 354.397 3.484 20 30 FGEDRM Cc1cc(F)c(C#N)cc1[N-]S(=O)(=O)c1onc(C2CC2)c1Cl ZINC000872427724 735628424 /nfs/dbraw/zinc/62/84/24/735628424.db2.gz MOWJSJYHGRZYDW-UHFFFAOYSA-N -1 0 355.778 3.325 20 30 FGEDRM Cc1nnc([S-])n(N=Cc2ccc(-c3ccccc3Cl)s2)c1=O ZINC000873988486 735827746 /nfs/dbraw/zinc/82/77/46/735827746.db2.gz FMAPASHSUHMPJL-UHFFFAOYSA-N -1 0 362.867 3.500 20 30 FGEDRM C=CCCc1ccc(S(=O)(=O)[N-]c2cn(C)nc2C(F)(F)F)cc1 ZINC000882714209 737481340 /nfs/dbraw/zinc/48/13/40/737481340.db2.gz NRZROUCWEQQYKC-UHFFFAOYSA-N -1 0 359.373 3.358 20 30 FGEDRM O=[N+]([O-])c1cc(Cl)cc(/C=N\C[C@H]2CCC3(CCOCC3)CO2)c1[O-] ZINC000887268976 739351836 /nfs/dbraw/zinc/35/18/36/739351836.db2.gz ZYMYAZFUPUFOSU-NGMPYOPUSA-N -1 0 368.817 3.349 20 30 FGEDRM O=C(/C=C/c1ccc(Cl)cn1)c1ccc([O-])c(CN2CCOCC2)c1 ZINC000901438005 743279420 /nfs/dbraw/zinc/27/94/20/743279420.db2.gz KNAGDRAXHGGAHS-GQCTYLIASA-N -1 0 358.825 3.169 20 30 FGEDRM C=C(C)c1cccc([N-]S(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)c1 ZINC000901999450 743695376 /nfs/dbraw/zinc/69/53/76/743695376.db2.gz OLTQWFGMTLKNHH-UHFFFAOYSA-N -1 0 359.451 3.085 20 30 FGEDRM CC(C)(C#N)c1ccccc1CN1c2ccccc2C([O-])=CS1(=O)=O ZINC000902660286 743766871 /nfs/dbraw/zinc/76/68/71/743766871.db2.gz NXPRDCJXRVDCEN-UHFFFAOYSA-N -1 0 354.431 3.020 20 30 FGEDRM CC(C)(C#N)c1ccccc1CN1c2ccsc2C([O-])=CS1(=O)=O ZINC000902801256 743776297 /nfs/dbraw/zinc/77/62/97/743776297.db2.gz IDZJNDXMNMLLPN-UHFFFAOYSA-N -1 0 360.460 3.082 20 30 FGEDRM N#Cc1cc(C(F)(F)F)ccc1[N-]S(=O)(=O)c1ccnn1C1CCC1 ZINC000903620473 743862384 /nfs/dbraw/zinc/86/23/84/743862384.db2.gz SGWKWMNQYSTCEG-UHFFFAOYSA-N -1 0 370.356 3.299 20 30 FGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2noc3c2CCCC3)cc1C(F)(F)F ZINC000903672817 743870779 /nfs/dbraw/zinc/87/07/79/743870779.db2.gz VWXQNHOMRFUOSF-UHFFFAOYSA-N -1 0 371.340 3.245 20 30 FGEDRM CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)OCCCCC1(C#N)CCC1 ZINC000908880714 744325777 /nfs/dbraw/zinc/32/57/77/744325777.db2.gz AVJIVJPUGOYHEE-UHFFFAOYSA-N -1 0 368.430 3.218 20 30 FGEDRM C=CCCC[C@@H](NC(=O)c1cc(NC(=O)C(C)C)ccc1Cl)C(=O)[O-] ZINC000910915368 757071301 /nfs/dbraw/zinc/07/13/01/757071301.db2.gz YISGYZRVZZHXBG-OAHLLOKOSA-N -1 0 366.845 3.474 20 30 FGEDRM [O-]c1c(Br)cc(Br)cc1CN=Nc1ncccn1 ZINC000912972959 757420813 /nfs/dbraw/zinc/42/08/13/757420813.db2.gz ASSFYQVNUQZCIY-UHFFFAOYSA-N -1 0 372.020 3.153 20 30 FGEDRM COC(=O)COc1cccc(N=Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])c1 ZINC000914773675 757836750 /nfs/dbraw/zinc/83/67/50/757836750.db2.gz QFMHOAHQAIPCPX-UHFFFAOYSA-N -1 0 364.741 3.256 20 30 FGEDRM O=[N+]([O-])c1cc(Cl)cc(C=NNC(=S)Nc2ccc(F)cc2)c1[O-] ZINC000915924567 758004369 /nfs/dbraw/zinc/00/43/69/758004369.db2.gz RUGAMLJRKYAPJX-UHFFFAOYSA-N -1 0 368.777 3.413 20 30 FGEDRM O=C([O-])c1ccc(NN=Cc2ccccc2I)cc1 ZINC000916240449 758056149 /nfs/dbraw/zinc/05/61/49/758056149.db2.gz CQUGYSDSLDMZCN-UHFFFAOYSA-N -1 0 366.158 3.435 20 30 FGEDRM COc1cc(C=NNc2ccc(Cl)c(C(=O)[O-])c2)ccc1OC(C)=O ZINC000916259837 758057972 /nfs/dbraw/zinc/05/79/72/758057972.db2.gz RZCNJZNOLWYOMP-UHFFFAOYSA-N -1 0 362.769 3.418 20 30 FGEDRM Cc1nnc(NN=Cc2ccc(-c3nc4ccccc4s3)o2)[n-]c1=O ZINC000916282926 758063585 /nfs/dbraw/zinc/06/35/85/758063585.db2.gz UJYYOTWDZPLZNN-UHFFFAOYSA-N -1 0 352.379 3.201 20 30 FGEDRM Cc1ccc(C2N=NC(=S)N2N=Cc2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000916306626 758067941 /nfs/dbraw/zinc/06/79/41/758067941.db2.gz QFNQPSHPGDZPBR-UHFFFAOYSA-N -1 0 355.379 3.038 20 30 FGEDRM O=C1NC2(CCCCC2)C(=O)N1N=Cc1cc(Cl)cc(Cl)c1[O-] ZINC000916325774 758071242 /nfs/dbraw/zinc/07/12/42/758071242.db2.gz HMGHBIGUSRMLAI-UHFFFAOYSA-N -1 0 356.209 3.288 20 30 FGEDRM COCCCNC(=O)C(C#N)=C([O-])c1cc2c(cccc2Cl)s1 ZINC000916869952 758148367 /nfs/dbraw/zinc/14/83/67/758148367.db2.gz AHILODFUJFHGGT-NSHDSACASA-N -1 0 350.827 3.030 20 30 FGEDRM C=CCNC(=O)C(C#N)=C([O-])c1cc(Cl)c(OCC(C)C)c(OC)c1 ZINC000916921642 758155491 /nfs/dbraw/zinc/15/54/91/758155491.db2.gz WLNORPKAXKCSHT-CYBMUJFWSA-N -1 0 364.829 3.008 20 30 FGEDRM CNC(=O)COc1cccc(C/N=C/c2cc(Cl)cc(Cl)c2[O-])c1 ZINC000917558034 758238980 /nfs/dbraw/zinc/23/89/80/758238980.db2.gz ZODYJQRLBFZIPP-ZVBGSRNCSA-N -1 0 367.232 3.443 20 30 FGEDRM CCOC(=O)c1csc(C(C#N)=C([O-])C=Cc2ccc(OC)cc2)n1 ZINC000920326945 758537425 /nfs/dbraw/zinc/53/74/25/758537425.db2.gz GHCNDQIRZBRAEB-DEBLGDTFSA-N -1 0 356.403 3.218 20 30 FGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)[C@@H](C)Cc2ccc(F)cc2)n1 ZINC000921106673 758649845 /nfs/dbraw/zinc/64/98/45/758649845.db2.gz DXBAJGLNMQVRKU-XHDPSFHLSA-N -1 0 360.410 3.189 20 30 FGEDRM N#C[C@]1(C(=O)N2CCC(c3ncc(C(=O)[O-])s3)CC2)CC12CCCC2 ZINC000923097810 759064203 /nfs/dbraw/zinc/06/42/03/759064203.db2.gz AZKZLIKECFENFZ-SFHVURJKSA-N -1 0 359.451 3.021 20 30 FGEDRM N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)[C@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000579752284 505613081 /nfs/dbraw/zinc/61/30/81/505613081.db2.gz NGPODVUMFVXQNS-OLZOCXBDSA-N -1 0 360.339 3.342 20 30 FGEDRM CCC[C@H](CCCCNS(=O)(=O)c1ccc(Cl)cc1C#N)C(=O)[O-] ZINC000571127984 505659153 /nfs/dbraw/zinc/65/91/53/505659153.db2.gz HEYNPPCAKMBYOU-GFCCVEGCSA-N -1 0 372.874 3.161 20 30 FGEDRM Cc1nn(C)c(C)c1NC(=O)C/N=C/c1cc(Cl)cc(Cl)c1[O-] ZINC000005335532 493925696 /nfs/dbraw/zinc/92/56/96/493925696.db2.gz LHLYFKPZTHIFCN-NGYBGAFCSA-N -1 0 355.225 3.107 20 30 FGEDRM CCN(CCCNC(=O)c1cc(C#N)c(SC)[n-]c1=O)c1ccccc1 ZINC000031892668 493965669 /nfs/dbraw/zinc/96/56/69/493965669.db2.gz ROCCXUCPFOFSNF-UHFFFAOYSA-N -1 0 370.478 3.027 20 30 FGEDRM O=C([N-]S(=O)(=O)CC1CCCCC1)c1occc1Br ZINC000083766048 494038006 /nfs/dbraw/zinc/03/80/06/494038006.db2.gz CHFRZNBURMHJKY-UHFFFAOYSA-N -1 0 350.234 3.257 20 30 FGEDRM CCC(CC)c1nnc([N-]S(=O)(=O)c2ccc(C#N)cc2C)s1 ZINC000083955969 494041188 /nfs/dbraw/zinc/04/11/88/494041188.db2.gz CFXYDYOHHIRQQX-UHFFFAOYSA-N -1 0 350.469 3.423 20 30 FGEDRM N#CCCCOc1cccc([N-]S(=O)(=O)c2c(F)cccc2F)c1 ZINC000055640096 494379922 /nfs/dbraw/zinc/37/99/22/494379922.db2.gz MOIOXYVGDGTRFL-UHFFFAOYSA-N -1 0 352.362 3.448 20 30 FGEDRM CCC(C)(C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2C#N)cc1 ZINC000055648254 494381657 /nfs/dbraw/zinc/38/16/57/494381657.db2.gz UTLPMOYSJCUBOL-UHFFFAOYSA-N -1 0 371.462 3.277 20 30 FGEDRM C=CCn1c([C@@H]2COc3ccccc3O2)n[n-]c1=Nc1cccc(OC)c1 ZINC000568568534 505724172 /nfs/dbraw/zinc/72/41/72/505724172.db2.gz VNFQKBHYMGWRLW-SFHVURJKSA-N -1 0 364.405 3.151 20 30 FGEDRM Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N=c2[nH][n-]c(C3CC3)c2C#N)c1 ZINC000568640640 505742920 /nfs/dbraw/zinc/74/29/20/505742920.db2.gz CBAYNDQWKLKPIN-ZDUSSCGKSA-N -1 0 352.438 3.419 20 30 FGEDRM COc1cc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)cc(Cl)c1OCC(C)C ZINC000026274789 494813798 /nfs/dbraw/zinc/81/37/98/494813798.db2.gz DWHIQIQWSROLFD-UHFFFAOYSA-N -1 0 373.800 3.102 20 30 FGEDRM COc1cc(F)c(S(=O)(=O)[N-]c2ccc(Cl)c(C#N)c2)cc1OC ZINC000026536291 494830607 /nfs/dbraw/zinc/83/06/07/494830607.db2.gz QFTGTGHZEJLJRZ-UHFFFAOYSA-N -1 0 370.789 3.169 20 30 FGEDRM CC(C)(C)Cc1cc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)n[nH]1 ZINC000126793481 494839010 /nfs/dbraw/zinc/83/90/10/494839010.db2.gz DOUKSDOZNAHTIX-UHFFFAOYSA-N -1 0 352.847 3.324 20 30 FGEDRM N#Cc1cc(S(=O)(=O)[N-]c2cc(-c3cccs3)[nH]n2)ccc1Cl ZINC000132256757 494846658 /nfs/dbraw/zinc/84/66/58/494846658.db2.gz VCWWKHIEMATHIC-UHFFFAOYSA-N -1 0 364.839 3.464 20 30 FGEDRM N#Cc1cc(F)c(S(=O)(=O)[N-]c2ccccc2OC(F)F)c(F)c1 ZINC000128080677 495041333 /nfs/dbraw/zinc/04/13/33/495041333.db2.gz PNQKLMBPDOPLIQ-UHFFFAOYSA-N -1 0 360.288 3.239 20 30 FGEDRM C=CCC[C@@H](NC(=O)c1cc(C#N)c(SC)[n-]c1=O)c1ccccc1 ZINC000123066270 495075444 /nfs/dbraw/zinc/07/54/44/495075444.db2.gz OYEGUDHMUQYQTE-MRXNPFEDSA-N -1 0 353.447 3.406 20 30 FGEDRM CCOC(=O)c1ccc(S(=O)(=O)Nc2cc(C#N)ccc2Cl)cc1 ZINC000123726129 495177323 /nfs/dbraw/zinc/17/73/23/495177323.db2.gz UWEHKACVEUZKSI-UHFFFAOYSA-N -1 0 364.810 3.189 20 30 FGEDRM CCC(C)(C)NC(=O)c1ccc(NS(=O)(=O)CCC(C)(C)C#N)cc1 ZINC000574403831 505765716 /nfs/dbraw/zinc/76/57/16/505765716.db2.gz HPPHPTAUELFRGF-UHFFFAOYSA-N -1 0 365.499 3.287 20 30 FGEDRM CCOc1cc([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)ccc1OC ZINC000129034679 495186196 /nfs/dbraw/zinc/18/61/96/495186196.db2.gz NQCQCNOCRVVNON-UHFFFAOYSA-N -1 0 368.361 3.045 20 30 FGEDRM Cc1ccc(N(CCC#N)S(=O)(=O)c2cccc(Cl)c2[O-])cc1 ZINC000580470052 505766357 /nfs/dbraw/zinc/76/63/57/505766357.db2.gz VUOPBMSHSNJPOK-UHFFFAOYSA-N -1 0 350.827 3.463 20 30 FGEDRM Cc1onc(-c2ccncc2)c1C([O-])=C(C#N)c1nc2ccccc2n1C ZINC000129999428 495326159 /nfs/dbraw/zinc/32/61/59/495326159.db2.gz WEOZBXWPTASBRH-CQSZACIVSA-N -1 0 357.373 3.422 20 30 FGEDRM COc1ccc(-c2ccc(C(=O)N3CCC(C(=O)[O-])CC3)cc2)cc1C#N ZINC000574465138 505779675 /nfs/dbraw/zinc/77/96/75/505779675.db2.gz CFCFTRJNTXRYPG-UHFFFAOYSA-N -1 0 364.401 3.171 20 30 FGEDRM Cc1noc(C)c1S(=O)(=O)[N-]c1ncc(Cc2ccc(C#N)cc2)s1 ZINC000120920736 495485510 /nfs/dbraw/zinc/48/55/10/495485510.db2.gz SKZUOISIMDHOHS-UHFFFAOYSA-N -1 0 374.447 3.011 20 30 FGEDRM C=CCN(C)C(=O)c1ccccc1[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000154212319 495545351 /nfs/dbraw/zinc/54/53/51/495545351.db2.gz LUNAGJQAAKPJHG-UHFFFAOYSA-N -1 0 366.389 3.024 20 30 FGEDRM Cc1ccccc1CCc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2)n[nH]1 ZINC000182573008 495621457 /nfs/dbraw/zinc/62/14/57/495621457.db2.gz RQJHQKWFCPKQEF-UHFFFAOYSA-N -1 0 366.446 3.176 20 30 FGEDRM CCc1noc2ncc(S(=O)(=O)[N-]c3ccc(Cl)c(C#N)c3)cc12 ZINC000185574802 495627296 /nfs/dbraw/zinc/62/72/96/495627296.db2.gz HQTSWLUTANSGBP-UHFFFAOYSA-N -1 0 362.798 3.111 20 30 FGEDRM Cn1c2ccccc2nc1C(C#N)=C([O-])c1ncccc1OCC(F)(F)F ZINC000176453293 495655714 /nfs/dbraw/zinc/65/57/14/495655714.db2.gz GJMXVBOARNMJSQ-NSHDSACASA-N -1 0 374.322 3.399 20 30 FGEDRM O=C([O-])[C@@H]1CCC[C@H](C(=O)NCC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000180028346 495830360 /nfs/dbraw/zinc/83/03/60/495830360.db2.gz KNSHJRVJRBOBOW-UONOGXRCSA-N -1 0 353.340 3.064 20 30 FGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3ncc[nH]3)cc2)c(Cl)c1 ZINC000186597352 496065045 /nfs/dbraw/zinc/06/50/45/496065045.db2.gz KQBZMJJDMYTVOZ-UHFFFAOYSA-N -1 0 358.810 3.403 20 30 FGEDRM N#C[C@H](NC(=O)c1cc(F)c([O-])c(F)c1)c1cccc(Br)c1 ZINC000186733535 496127752 /nfs/dbraw/zinc/12/77/52/496127752.db2.gz ZNHCRMQJJOFNRC-ZDUSSCGKSA-N -1 0 367.149 3.428 20 30 FGEDRM CC(C)c1csc(C(C#N)=C([O-])c2cccc3c2O[C@H](C)C(=O)N3)n1 ZINC000177760893 496186174 /nfs/dbraw/zinc/18/61/74/496186174.db2.gz BZLJQGXUXVISOR-PWSUYJOCSA-N -1 0 355.419 3.476 20 30 FGEDRM Cc1nc([N-]S(=O)(=O)Cc2cccc(F)c2)sc1SCC#N ZINC000174978010 496191281 /nfs/dbraw/zinc/19/12/81/496191281.db2.gz QZGLQEDCMSMGSV-UHFFFAOYSA-N -1 0 357.457 3.148 20 30 FGEDRM CC(C)Oc1ccc([N-]S(=O)(=O)c2c(F)cccc2F)cc1C#N ZINC000152642884 496211941 /nfs/dbraw/zinc/21/19/41/496211941.db2.gz YBQHFQUNYWPEAC-UHFFFAOYSA-N -1 0 352.362 3.424 20 30 FGEDRM COc1ccc(S(=O)(=O)Nc2ccc(OC(C)C)c(C#N)c2)cc1F ZINC000152651120 496214785 /nfs/dbraw/zinc/21/47/85/496214785.db2.gz NSYQSMMWZKTFGU-UHFFFAOYSA-N -1 0 364.398 3.294 20 30 FGEDRM CC(=O)Nc1cc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)ccc1F ZINC000186929940 496216106 /nfs/dbraw/zinc/21/61/06/496216106.db2.gz KHUFZMITDPBLHH-UHFFFAOYSA-N -1 0 367.789 3.110 20 30 FGEDRM N#Cc1ccc([N-]S(=O)(=O)c2ccccc2OC(F)(F)F)cc1F ZINC000574733468 505843078 /nfs/dbraw/zinc/84/30/78/505843078.db2.gz YNFZRSDRKOFFQF-UHFFFAOYSA-N -1 0 360.288 3.397 20 30 FGEDRM COc1ccc(Cn2[n-]c(C(C)(C)C)c(CCC#N)c2=O)cc1[N+](=O)[O-] ZINC000153523864 496485527 /nfs/dbraw/zinc/48/55/27/496485527.db2.gz FKCVZUAHVIJXGE-UHFFFAOYSA-N -1 0 358.398 3.307 20 30 FGEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccc(OC(F)(F)F)c1 ZINC000184791735 496533859 /nfs/dbraw/zinc/53/38/59/496533859.db2.gz DZFMFUQRWRKNIR-UHFFFAOYSA-N -1 0 372.324 3.266 20 30 FGEDRM CC#CCCCC(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000184874461 496567465 /nfs/dbraw/zinc/56/74/65/496567465.db2.gz FOWSWNHWRCIURO-UHFFFAOYSA-N -1 0 363.464 3.076 20 30 FGEDRM CCc1cnc([N-]S(=O)(=O)c2cc(Br)cc(C#N)c2)s1 ZINC000154011250 496654175 /nfs/dbraw/zinc/65/41/75/496654175.db2.gz FVEGLSCRZTYRKM-UHFFFAOYSA-N -1 0 372.269 3.140 20 30 FGEDRM C=C[C@H](C)NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccccc2OC)c1 ZINC000154151165 496696395 /nfs/dbraw/zinc/69/63/95/496696395.db2.gz ODDNRNPDKMDGDT-AWEZNQCLSA-N -1 0 374.462 3.109 20 30 FGEDRM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)o2)cnc1N1CCCC[C@H]1C ZINC000580914728 505866929 /nfs/dbraw/zinc/86/69/29/505866929.db2.gz BLNYFVRXGIZNDB-CYBMUJFWSA-N -1 0 360.439 3.034 20 30 FGEDRM CC(C)(C#N)CCCS(=O)(=O)c1nnc(-c2ccc3c(c2)CCC3)[n-]1 ZINC000195210672 496850974 /nfs/dbraw/zinc/85/09/74/496850974.db2.gz HEDBTMKVMUHSMY-UHFFFAOYSA-N -1 0 358.467 3.064 20 30 FGEDRM N#Cc1cccnc1[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000191759154 496879911 /nfs/dbraw/zinc/87/99/11/496879911.db2.gz MNHIQMZIGZKLDJ-UHFFFAOYSA-N -1 0 372.631 3.170 20 30 FGEDRM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]c1cc(C#N)ccc1C ZINC000195446650 496924378 /nfs/dbraw/zinc/92/43/78/496924378.db2.gz KCVJYKWXOURKHF-UHFFFAOYSA-N -1 0 364.810 3.108 20 30 FGEDRM O=S(=O)([N-][C@H](C1CC1)C(F)(F)F)c1ccc(F)cc1C(F)(F)F ZINC000572036890 505874718 /nfs/dbraw/zinc/87/47/18/505874718.db2.gz JPGAUQWSUFQIJO-SNVBAGLBSA-N -1 0 365.270 3.464 20 30 FGEDRM COCCOCCOCCC/N=C/c1cc(Cl)cc(Cl)c1[O-] ZINC000274351170 497077501 /nfs/dbraw/zinc/07/75/01/497077501.db2.gz DFJKETFTNVMGSX-WOJGMQOQSA-N -1 0 350.242 3.188 20 30 FGEDRM CCn1cc([N+](=O)[O-])c(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)n1 ZINC000192430323 497112591 /nfs/dbraw/zinc/11/25/91/497112591.db2.gz 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3.130 20 30 FGEDRM Cc1cc(C(=O)Nc2cc(C#N)cn2C(C)(C)C)cc(C)c1OCC(=O)[O-] ZINC000832865199 601535823 /nfs/dbraw/zinc/53/58/23/601535823.db2.gz RTZVJLCUERFSSI-UHFFFAOYSA-N -1 0 369.421 3.447 20 30 FGEDRM N#Cc1c(F)cccc1Oc1ccc(C(=O)N(CC(=O)[O-])C2CC2)cc1 ZINC000738425549 601634436 /nfs/dbraw/zinc/63/44/36/601634436.db2.gz NPGQRBNIAVBDRT-UHFFFAOYSA-N -1 0 354.337 3.179 20 30 FGEDRM N#Cc1ccccc1Sc1ccccc1C(=O)N1CC[C@@](F)(C(=O)[O-])C1 ZINC000833076890 601657869 /nfs/dbraw/zinc/65/78/69/601657869.db2.gz ROSJBMUKBYZBOZ-IBGZPJMESA-N -1 0 370.405 3.348 20 30 FGEDRM N#Cc1cc(F)c(C(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)c(F)c1 ZINC000833068965 601683996 /nfs/dbraw/zinc/68/39/96/601683996.db2.gz QXWWNPFERRTRIN-AWEZNQCLSA-N -1 0 364.735 3.436 20 30 FGEDRM CCCCCCCCc1nnc(NC(=O)N2CC[C@@](F)(C(=O)[O-])C2)s1 ZINC000829357999 601685659 /nfs/dbraw/zinc/68/56/59/601685659.db2.gz XCEWTKSMNAAIJC-INIZCTEOSA-N -1 0 372.466 3.472 20 30 FGEDRM N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@](F)(C(=O)[O-])C2)cc1 ZINC000833065332 601691238 /nfs/dbraw/zinc/69/12/38/601691238.db2.gz YGUWXVZRAHOMQU-FXAWDEMLSA-N -1 0 367.380 3.373 20 30 FGEDRM C#Cc1cccc(N2C(=O)/C(=C\c3c[nH]c(C(=O)[O-])c3)SC2=S)c1 ZINC000825636249 601788138 /nfs/dbraw/zinc/78/81/38/601788138.db2.gz FVDFTXZCNZIFKZ-RIYZIHGNSA-N -1 0 354.412 3.100 20 30 FGEDRM COc1ccc(C(=O)/C=C\c2c[nH]c(C(=O)[O-])c2)cc1Br ZINC000832157451 601792191 /nfs/dbraw/zinc/79/21/91/601792191.db2.gz RRRMQEAFSGWHKD-RQOWECAXSA-N -1 0 350.168 3.380 20 30 FGEDRM CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CCC(CCC(=O)[O-])CC2)c1 ZINC000828586655 601827800 /nfs/dbraw/zinc/82/78/00/601827800.db2.gz HUPQOBUSTILYEL-KRWDZBQOSA-N -1 0 373.453 3.154 20 30 FGEDRM C[C@@H](Oc1ccccc1C#N)C(=O)Oc1ccc(SCC(=O)[O-])cc1 ZINC000827896304 601877943 /nfs/dbraw/zinc/87/79/43/601877943.db2.gz VIFFMJYWOZWRHQ-GFCCVEGCSA-N -1 0 357.387 3.108 20 30 FGEDRM Cc1ccc(N(CCC#N)C(=O)CNc2cccc(C(=O)[O-])c2)cc1C ZINC000832935432 601908249 /nfs/dbraw/zinc/90/82/49/601908249.db2.gz LMXRZMIMNKCXNW-UHFFFAOYSA-N -1 0 351.406 3.360 20 30 FGEDRM C#Cc1ccc(C(=O)O[C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)cn1 ZINC000825636646 601951457 /nfs/dbraw/zinc/95/14/57/601951457.db2.gz OTGNODLAHXFIAU-AWEZNQCLSA-N -1 0 350.157 3.352 20 30 FGEDRM CC(=O)Nc1cccc(C(=O)/C=C\c2ccc(O[C@@H](C)C(=O)[O-])cc2)c1 ZINC000794692008 602105663 /nfs/dbraw/zinc/10/56/63/602105663.db2.gz SORGSJWNGHDPJS-ZWXCPPHNSA-N -1 0 353.374 3.393 20 30 FGEDRM C=CCC(CC=C)C(=O)N[C@@H](C(=O)[O-])c1ccc(Br)cc1 ZINC000262071195 602131767 /nfs/dbraw/zinc/13/17/67/602131767.db2.gz CZPHOEWMUGLOKJ-CQSZACIVSA-N -1 0 352.228 3.459 20 30 FGEDRM C=CCn1c(-c2ccccc2C)nn(CN2C[C@H](C)[C@@H](C(=O)[O-])C2)c1=S ZINC000825705454 602197660 /nfs/dbraw/zinc/19/76/60/602197660.db2.gz IUEQAIMAGXYZTC-HOCLYGCPSA-N -1 0 372.494 3.186 20 30 FGEDRM C#CCn1cnc(-c2ccccc2)c1NC(=O)Cc1ccc(NC(=O)[O-])cc1 ZINC000738469947 602288374 /nfs/dbraw/zinc/28/83/74/602288374.db2.gz KBNCLUCSCDBPBC-UHFFFAOYSA-N -1 0 374.400 3.454 20 30 FGEDRM CCC[C@H](NC(=O)[O-])C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC000739321152 602399967 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Cc1cccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(F)c(NC(=O)[O-])c2)c1 ZINC000740170272 602566174 /nfs/dbraw/zinc/56/61/74/602566174.db2.gz ODAMFNVDZJXNSL-ZDUSSCGKSA-N -1 0 355.325 3.185 20 30 FGEDRM N#Cc1ccccc1NC(=S)N1CCCc2cc(CNC(=O)[O-])ccc21 ZINC000740323617 602625018 /nfs/dbraw/zinc/62/50/18/602625018.db2.gz OIQLHPCTLPBZAG-UHFFFAOYSA-N -1 0 366.446 3.475 20 30 FGEDRM N#Cc1cc(S(=O)(=O)Nc2cc(NC(=O)[O-])ccc2F)ccc1Cl ZINC000740312062 602653452 /nfs/dbraw/zinc/65/34/52/602653452.db2.gz AKFSYILJHMGOTD-UHFFFAOYSA-N -1 0 369.761 3.241 20 30 FGEDRM C[C@H](C#N)CSc1ccccc1NC(=O)NC[C@H]1CCCN1C(=O)[O-] ZINC000738603027 602655179 /nfs/dbraw/zinc/65/51/79/602655179.db2.gz OQIXIMGVJOVCFO-CHWSQXEVSA-N -1 0 362.455 3.202 20 30 FGEDRM N#Cc1cccc(Oc2ccc(NC(=O)[C@H]3CSCN3C(=O)[O-])cc2)c1 ZINC000740323549 602687736 /nfs/dbraw/zinc/68/77/36/602687736.db2.gz QJTCXLVOSSQRHZ-MRXNPFEDSA-N -1 0 369.402 3.342 20 30 FGEDRM C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC[C@@H](NC(=O)[O-])C1 ZINC000737655983 602690272 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FGEDRM C[C@@H](CNC(=O)[O-])N(C)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 ZINC000738931737 603149649 /nfs/dbraw/zinc/14/96/49/603149649.db2.gz RGVNQUVUBYIWRQ-LBPRGKRZSA-N -1 0 372.450 3.084 20 30 FGEDRM C[C@@H](CC#N)Sc1ccccc1NC(=O)N[C@H]1CCCN(C(=O)[O-])C1 ZINC000736545060 603286512 /nfs/dbraw/zinc/28/65/12/603286512.db2.gz OFAUAZMLBFNTPN-STQMWFEESA-N -1 0 362.455 3.345 20 30 FGEDRM CC(C)Oc1ccc(NC(=S)NN=C2CCC[C@@H]2CNC(=O)[O-])cc1 ZINC000738864147 603320835 /nfs/dbraw/zinc/32/08/35/603320835.db2.gz IWLVSBWPPPELEM-GFCCVEGCSA-N -1 0 364.471 3.184 20 30 FGEDRM C[C@@H](CC(=O)Nc1cccc(OCc2cccc(C#N)c2)c1)NC(=O)[O-] ZINC000824702773 603331633 /nfs/dbraw/zinc/33/16/33/603331633.db2.gz GMIVJJCKWOULTH-ZDUSSCGKSA-N -1 0 353.378 3.122 20 30 FGEDRM N#CCc1ccc(NC(=O)N2CCC(N(CC3CC3)C(=O)[O-])CC2)cc1 ZINC000831109559 603451858 /nfs/dbraw/zinc/45/18/58/603451858.db2.gz MSXCSLPNQJEZPL-UHFFFAOYSA-N -1 0 356.426 3.139 20 30 FGEDRM CC(C)(C)n1cc(C#N)cc1NC(=O)C[C@H](Cc1ccccc1)NC(=O)[O-] ZINC000823876558 603532800 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Cc1cc(NC(=O)c2ccc(C#N)c([O-])c2)ccc1OC1CCOCC1 ZINC000188479569 496804195 /nfs/dbraw/zinc/80/41/95/496804195.db2.gz GJGZDIUSPZAZSJ-UHFFFAOYSA-N -1 0 352.390 3.382 20 30 FGEDRM Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000195198015 496847191 /nfs/dbraw/zinc/84/71/91/496847191.db2.gz MTSPFYSYBFGCEH-UHFFFAOYSA-N -1 0 351.771 3.229 20 30 FGEDRM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N(C)C[C@H](C)C#N)cc1 ZINC000265096731 497046579 /nfs/dbraw/zinc/04/65/79/497046579.db2.gz FMJKCEWZEDCCLN-OAHLLOKOSA-N -1 0 371.462 3.028 20 30 FGEDRM C=CCCS(=O)(=O)N1CCC([C@@H](CC(=O)[O-])c2ccc(F)cc2)CC1 ZINC000275079439 497233771 /nfs/dbraw/zinc/23/37/71/497233771.db2.gz DIGXZCXJZQRDFV-KRWDZBQOSA-N -1 0 369.458 3.002 20 30 FGEDRM Cc1cc(C)n(CC(=O)Nc2cccc(C#Cc3cccc(C(=O)[O-])c3)c2)n1 ZINC000237656712 497270633 /nfs/dbraw/zinc/27/06/33/497270633.db2.gz OMOCJOOZEJZSLC-UHFFFAOYSA-N -1 0 373.412 3.237 20 30 FGEDRM Cc1nn(C)cc1C(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC000237779382 497292141 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FGEDRM C=C[C@H](CC(=O)NCCc1ccc(OCC(=O)[O-])cc1)c1ccccc1 ZINC000191037312 497690183 /nfs/dbraw/zinc/69/01/83/497690183.db2.gz FUHMVROLIJYCOM-QGZVFWFLSA-N -1 0 353.418 3.169 20 30 FGEDRM C[C@@H]1C[C@H](C(=O)[O-])CN(c2nc3c(c(C#N)c2C#N)CCCCCC3)C1 ZINC000263183348 497726766 /nfs/dbraw/zinc/72/67/66/497726766.db2.gz KMMLZZQYSOZUDC-KGLIPLIRSA-N -1 0 352.438 3.031 20 30 FGEDRM C=CCN(C(=O)Nc1cccc([N+](=O)[O-])c1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000581228563 505938260 /nfs/dbraw/zinc/93/82/60/505938260.db2.gz VXECIIWXZSIOHX-QGZVFWFLSA-N -1 0 369.377 3.311 20 30 FGEDRM CSc1[n-]c(=O)c(C(=O)N2CC[C@H](C(F)(F)F)C(C)(C)C2)cc1C#N ZINC000331105628 498253620 /nfs/dbraw/zinc/25/36/20/498253620.db2.gz GDRMHKNDIWUAJV-NSHDSACASA-N -1 0 373.400 3.431 20 30 FGEDRM CCS[C@@H]1CCCC[C@@H]1NC(=O)N=c1[n-]nc(CC(F)(F)F)s1 ZINC000331186663 498271242 /nfs/dbraw/zinc/27/12/42/498271242.db2.gz UYFSYGNRHKMMOQ-DTWKUNHWSA-N -1 0 368.450 3.455 20 30 FGEDRM CSc1[n-]c(=O)c(C(=O)N2CC[C@](C)(c3ccc(C)cc3)C2)cc1C#N ZINC000331327930 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367.430 3.145 20 30 FGEDRM N#Cc1ccc([C@@H](OC(=O)c2cccc(Cl)c2[N+](=O)[O-])C(=O)[O-])cc1 ZINC000833073068 601474650 /nfs/dbraw/zinc/47/46/50/601474650.db2.gz VDKHVYOERCZPPC-CQSZACIVSA-N -1 0 360.709 3.103 20 30 FGEDRM C[C@@H](CNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)C(=O)[O-] ZINC000827493522 601620427 /nfs/dbraw/zinc/62/04/27/601620427.db2.gz UKORTJVIUFDNHB-AWEZNQCLSA-N -1 0 367.405 3.174 20 30 FGEDRM C#CCOc1ccc(F)cc1NC(=O)N[C@@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000825631428 601627006 /nfs/dbraw/zinc/62/70/06/601627006.db2.gz DOOMAHWYWWQDOG-SCLBCKFNSA-N -1 0 370.380 3.421 20 30 FGEDRM Cc1cc(C#N)ccc1Oc1ccc(C(=O)N(C)C[C@H](C)C(=O)[O-])cc1 ZINC000832859853 601671898 /nfs/dbraw/zinc/67/18/98/601671898.db2.gz ZQXQPZFCRJMDDO-AWEZNQCLSA-N -1 0 352.390 3.452 20 30 FGEDRM N#Cc1cc(F)c(C(=O)N[C@@H](C(=O)[O-])c2ccc(Cl)cc2)c(F)c1 ZINC000833069223 601683149 /nfs/dbraw/zinc/68/31/49/601683149.db2.gz XQYAZVQKVUNHBU-CQSZACIVSA-N -1 0 350.708 3.046 20 30 FGEDRM C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CC[C@](F)(C(=O)[O-])C1 ZINC000827219107 601722160 /nfs/dbraw/zinc/72/21/60/601722160.db2.gz WWIVPFWBPXLGOR-MEDUHNTESA-N -1 0 351.403 3.111 20 30 FGEDRM Cc1cccc(N(CCC#N)C(=O)CNc2ccc(F)c(C(=O)[O-])c2)c1C ZINC000832971634 601908205 /nfs/dbraw/zinc/90/82/05/601908205.db2.gz RAVGGTQPJLBVSC-UHFFFAOYSA-N -1 0 369.396 3.500 20 30 FGEDRM N#CCCN(C(=O)CNc1cc(Cl)cc(C(=O)[O-])c1)c1ccccc1 ZINC000833065431 601910067 /nfs/dbraw/zinc/91/00/67/601910067.db2.gz CLNOTMMYBJXOFG-UHFFFAOYSA-N -1 0 357.797 3.397 20 30 FGEDRM COc1cc(C(=O)[O-])cc(NCCCOc2cccc(C#N)c2)c1OC ZINC000831913276 601962818 /nfs/dbraw/zinc/96/28/18/601962818.db2.gz NORRHJXQHMQKSJ-UHFFFAOYSA-N -1 0 356.378 3.155 20 30 FGEDRM C=CCn1c(-c2ccc(C)cc2)nn(CN2CC[C@](C)(C(=O)[O-])C2)c1=S ZINC000825705563 602197739 /nfs/dbraw/zinc/19/77/39/602197739.db2.gz MSBMATFRPPMPGF-IBGZPJMESA-N -1 0 372.494 3.330 20 30 FGEDRM C=CCn1c(SCc2cc(C(=O)[O-])c(C)o2)nnc1-c1ccccn1 ZINC000825710968 602242927 /nfs/dbraw/zinc/24/29/27/602242927.db2.gz JHRVBJPLMXSUCK-UHFFFAOYSA-N -1 0 356.407 3.418 20 30 FGEDRM Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@@H](C)NC(=O)[O-] ZINC000740087474 602250708 /nfs/dbraw/zinc/25/07/08/602250708.db2.gz CEMUENWYSZPWBR-CYBMUJFWSA-N -1 0 353.378 3.040 20 30 FGEDRM CCN(Cc1ccccc1NC(=O)c1ccccc1OCC#N)C(=O)[O-] ZINC000739443617 602460057 /nfs/dbraw/zinc/46/00/57/602460057.db2.gz QIUVHGPFHGXLMH-UHFFFAOYSA-N -1 0 353.378 3.341 20 30 FGEDRM N#Cc1cccc(OCCCCC(=O)Nc2ccc(NC(=O)[O-])nc2)c1 ZINC000740323022 602462331 /nfs/dbraw/zinc/46/23/31/602462331.db2.gz JRRCPPNEAUIQBF-UHFFFAOYSA-N -1 0 354.366 3.231 20 30 FGEDRM C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC(NC(=O)[O-])CC1 ZINC000738599822 602655125 /nfs/dbraw/zinc/65/51/25/602655125.db2.gz GNQDGCKBAPTHGM-LBPRGKRZSA-N -1 0 362.455 3.202 20 30 FGEDRM N#Cc1ccc(CNC(=O)CC[C@H](NC(=O)[O-])c2ccccc2)c(F)c1 ZINC000740313183 602665393 /nfs/dbraw/zinc/66/53/93/602665393.db2.gz QXXGWAPVJSCRKB-KRWDZBQOSA-N -1 0 355.369 3.103 20 30 FGEDRM CCOc1ccc(N(CCC#N)C(=O)CC2CCN(C(=O)[O-])CC2)cc1 ZINC000739506738 602675362 /nfs/dbraw/zinc/67/53/62/602675362.db2.gz NVFYWFLZWMCPER-UHFFFAOYSA-N -1 0 359.426 3.112 20 30 FGEDRM C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC(NC(=O)[O-])CC1 ZINC000738892387 602690258 /nfs/dbraw/zinc/69/02/58/602690258.db2.gz IBVAUFQELCFTAA-LBPRGKRZSA-N -1 0 362.455 3.345 20 30 FGEDRM CC(C)(CCC(=O)N[C@@H](C#N)c1ccc(OC(F)(F)F)cc1)NC(=O)[O-] ZINC000738743933 602834760 /nfs/dbraw/zinc/83/47/60/602834760.db2.gz PQZRQEPVBCPBPT-LBPRGKRZSA-N -1 0 373.331 3.092 20 30 FGEDRM C=CC[C@H](NC(=O)N1CCC([C@H]2CCCN2C(=O)[O-])CC1)c1ccncc1 ZINC000738489138 602840517 /nfs/dbraw/zinc/84/05/17/602840517.db2.gz QXVAFFAGENRCRD-ZWKOTPCHSA-N -1 0 372.469 3.263 20 30 FGEDRM C#CCOc1ccc(F)cc1NC(=O)[C@H](C)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823463047 602994751 /nfs/dbraw/zinc/99/47/51/602994751.db2.gz JRSFAFAIICIFPN-ACJLOTCBSA-N -1 0 370.380 3.421 20 30 FGEDRM N#Cc1ccc(-c2cccc(CNC(=O)[C@@H]3CCCN3C(=O)[O-])c2)s1 ZINC000740314223 603057462 /nfs/dbraw/zinc/05/74/62/603057462.db2.gz TYPHNLTXVPDQAM-HNNXBMFYSA-N -1 0 355.419 3.045 20 30 FGEDRM C[C@H](Nc1cccc2c1CCN(C(=O)[O-])C2)C(=O)Nc1cccc(C#N)c1 ZINC000739036542 603243249 /nfs/dbraw/zinc/24/32/49/603243249.db2.gz NQBYFJJLAQFLLW-ZDUSSCGKSA-N -1 0 364.405 3.033 20 30 FGEDRM C[C@H](C(=O)N[C@@H](C#N)c1ccc(F)cc1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823677944 603278172 /nfs/dbraw/zinc/27/81/72/603278172.db2.gz POILXQFNSAXUDV-ZLIFDBKOSA-N -1 0 355.369 3.152 20 30 FGEDRM N#Cc1ccc(CSCC(=O)O[C@H]2CCCC[C@@H]2CNC(=O)[O-])cc1 ZINC000740313922 603315302 /nfs/dbraw/zinc/31/53/02/603315302.db2.gz AUPMNPJYBXLJTL-CVEARBPZSA-N -1 0 362.451 3.161 20 30 FGEDRM C=CCN(CCc1ccccc1)C(=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000823500507 603884499 /nfs/dbraw/zinc/88/44/99/603884499.db2.gz FZJMKJHBXBMRSJ-AYHJJNSGSA-N -1 0 357.454 3.100 20 30 FGEDRM N#Cc1ccc(SCC(=O)Nc2cccc3c2CCN3C(=O)[O-])cc1 ZINC000831142465 603942022 /nfs/dbraw/zinc/94/20/22/603942022.db2.gz ZDZZFBCAMHKJTG-UHFFFAOYSA-N -1 0 353.403 3.330 20 30 FGEDRM C#Cc1cccc(N(Cc2ccco2)C(=O)[C@H]2CC[C@@H](NC(=O)[O-])C2)c1 ZINC000823475514 603976859 /nfs/dbraw/zinc/97/68/59/603976859.db2.gz YIWAIFSXTNZRTN-JKSUJKDBSA-N -1 0 352.390 3.230 20 30 FGEDRM N#C[C@@H](NC(=O)CC1(NC(=O)[O-])CCC1)c1ccc(Cl)c(Cl)c1 ZINC000831071087 604162648 /nfs/dbraw/zinc/16/26/48/604162648.db2.gz XZGDDZZUIQONGZ-GFCCVEGCSA-N -1 0 356.209 3.255 20 30 FGEDRM N#CCSc1ccccc1C(=O)NCCc1ccc(NC(=O)[O-])cc1 ZINC000739092236 604254839 /nfs/dbraw/zinc/25/48/39/604254839.db2.gz PSSZQKBPPKNLPN-UHFFFAOYSA-N -1 0 355.419 3.365 20 30 FGEDRM C#CCOc1ccc(C(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])cc1 ZINC000825625892 604379074 /nfs/dbraw/zinc/37/90/74/604379074.db2.gz PQAQAPOMHQRAGC-SFHVURJKSA-N -1 0 351.402 3.281 20 30 FGEDRM CC(C)(C(=O)[O-])[C@H](NC(=O)CCc1ccc(C#N)cc1)c1ccccc1 ZINC000826089493 604384889 /nfs/dbraw/zinc/38/48/89/604384889.db2.gz MPPXNQMXHDPSHP-LJQANCHMSA-N -1 0 350.418 3.459 20 30 FGEDRM N#CCc1ccc(Oc2ccc(C(=O)N3CC[C@@H](NC(=O)[O-])C3)cc2)cc1 ZINC000740311829 604480575 /nfs/dbraw/zinc/48/05/75/604480575.db2.gz ZRCAPUFOTSGFGK-MRXNPFEDSA-N -1 0 365.389 3.027 20 30 FGEDRM Cc1ccccc1-n1cnnc1SCc1cccc(C(=O)[O-])c1C#N ZINC000833753174 604551475 /nfs/dbraw/zinc/55/14/75/604551475.db2.gz MJKICRHIODPUMS-UHFFFAOYSA-N -1 0 350.403 3.438 20 30 FGEDRM N#Cc1ccccc1OCc1cccc(C(=O)N2CCC[C@H]2CC(=O)[O-])c1 ZINC000833077099 604565783 /nfs/dbraw/zinc/56/57/83/604565783.db2.gz YDZDFCSBJUFFOF-SFHVURJKSA-N -1 0 364.401 3.217 20 30 FGEDRM O=C([O-])c1ccc(C(=O)C=Cc2c[nH]nc2-c2ccc3c(c2)OCO3)cc1 ZINC000833310767 604628968 /nfs/dbraw/zinc/62/89/68/604628968.db2.gz SKAZLHHVCZYUOU-ALCCZGGFSA-N -1 0 362.341 3.400 20 30 FGEDRM COC(=O)COc1c(C)cc(/C=C/C(=O)c2ccc(C(=O)[O-])cc2)cc1C ZINC000831179991 604629732 /nfs/dbraw/zinc/62/97/32/604629732.db2.gz KKOUKXQIKAZYLI-RUDMXATFSA-N -1 0 368.385 3.450 20 30 FGEDRM COC(=O)COc1c(C)cc(/C=C\C(=O)c2ccc(C(=O)[O-])cc2)cc1C ZINC000831179996 604630162 /nfs/dbraw/zinc/63/01/62/604630162.db2.gz KKOUKXQIKAZYLI-WTKPLQERSA-N -1 0 368.385 3.450 20 30 FGEDRM C#CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1C(=O)[O-])c1ccccc1 ZINC000833362701 604637418 /nfs/dbraw/zinc/63/74/18/604637418.db2.gz GAPWWNFIUBCQMD-OAHLLOKOSA-N -1 0 363.822 3.081 20 30 FGEDRM COC(=O)c1ccccc1-c1ccc(CN=Nc2ccc(C(=O)[O-])cn2)o1 ZINC000763369689 604668557 /nfs/dbraw/zinc/66/85/57/604668557.db2.gz WDBZKDLGIPNKQB-UHFFFAOYSA-N -1 0 365.345 3.272 20 30 FGEDRM C=CCn1c(SCC(=O)c2cccc(C(=O)[O-])c2)nnc1-c1ccco1 ZINC000833380451 604672919 /nfs/dbraw/zinc/67/29/19/604672919.db2.gz FQRMQYHSKBUQRE-UHFFFAOYSA-N -1 0 369.402 3.397 20 30 FGEDRM O=C([O-])C1(NC(=O)CON=Cc2cccc(Cl)c2Cl)CCCCC1 ZINC000833764513 604869037 /nfs/dbraw/zinc/86/90/37/604869037.db2.gz KRRABSZBMMMELZ-UHFFFAOYSA-N -1 0 373.236 3.248 20 30 FGEDRM CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000833470068 604883170 /nfs/dbraw/zinc/88/31/70/604883170.db2.gz GPOPQPMJSSMEHS-SJLPKXTDSA-N -1 0 372.465 3.311 20 30 FGEDRM O=C([O-])c1ccc(/C=C/C(=O)c2ccc(N3CCOCC3)cc2Cl)o1 ZINC000833312758 604890349 /nfs/dbraw/zinc/89/03/49/604890349.db2.gz WYOJTPHETWSEFK-GORDUTHDSA-N -1 0 361.781 3.364 20 30 FGEDRM Cc1c(NC(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)cccc1C(=O)[O-] ZINC000833742672 604979290 /nfs/dbraw/zinc/97/92/90/604979290.db2.gz WJTHJTRBNQURAA-SFHVURJKSA-N -1 0 365.389 3.170 20 30 FGEDRM CC(C)CN(CCC#N)S(=O)(=O)c1c2ccccc2sc1C(=O)[O-] ZINC000391576471 605024491 /nfs/dbraw/zinc/02/44/91/605024491.db2.gz QCPWZCBIPDSHCH-UHFFFAOYSA-N -1 0 366.464 3.160 20 30 FGEDRM CN(Cc1cc([N+](=O)[O-])ccc1Cl)[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000833693985 605048177 /nfs/dbraw/zinc/04/81/77/605048177.db2.gz DFNUWRFTDCXCOL-INIZCTEOSA-N -1 0 359.769 3.378 20 30 FGEDRM COc1cccc(NC(=O)[C@H](C#N)C(=O)c2ccc(NC(=O)[O-])c(C)c2)c1 ZINC000829570852 605345480 /nfs/dbraw/zinc/34/54/80/605345480.db2.gz MQJLKACALYTPFR-OAHLLOKOSA-N -1 0 367.361 3.055 20 30 FGEDRM CCCN(C(=O)Nc1cc(C#N)ccc1OCC)C1CCN(C(=O)[O-])CC1 ZINC000826875642 605540803 /nfs/dbraw/zinc/54/08/03/605540803.db2.gz MCRVJDAJFDBKRV-UHFFFAOYSA-N -1 0 374.441 3.343 20 30 FGEDRM CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)Nc1cc(C(=O)[O-])ccc1Cl ZINC000833432013 605578121 /nfs/dbraw/zinc/57/81/21/605578121.db2.gz HFWKIKKGJZYBNA-QGZVFWFLSA-N -1 0 366.801 3.238 20 30 FGEDRM C#CC[C@H](NC(=O)NCc1ccc(C(=O)[O-])c(C2CC2)n1)c1ccccc1 ZINC000833360456 605632721 /nfs/dbraw/zinc/63/27/21/605632721.db2.gz IWIOOYCPLPUISJ-SFHVURJKSA-N -1 0 363.417 3.221 20 30 FGEDRM N#Cc1ccc(CNc2cccc(C(=O)OC[C@@H]3CCCN3C(=O)[O-])c2)o1 ZINC000833971738 605656301 /nfs/dbraw/zinc/65/63/01/605656301.db2.gz MEIREBUKHPQHIQ-HNNXBMFYSA-N -1 0 369.377 3.063 20 30 FGEDRM Cn1c(N=NC2CCC[C@@H]2[C@@H]2CCCN2C(=O)[O-])nnc1-c1ccccc1 ZINC000833941774 605722342 /nfs/dbraw/zinc/72/23/42/605722342.db2.gz GMRCUVHXYWGPQK-HOCLYGCPSA-N -1 0 368.441 3.193 20 30 FGEDRM Cc1cc(C(=O)O[C@H](C)C(=O)Nc2ccccc2C#N)ccc1NC(=O)[O-] ZINC000829971599 605834400 /nfs/dbraw/zinc/83/44/00/605834400.db2.gz NXLRTGMNDOEACR-GFCCVEGCSA-N -1 0 367.361 3.141 20 30 FGEDRM CC(C)Cc1nc(-c2nnn[n-]2)c(N=NC(C)c2cc3c(s2)CCC3)o1 ZINC000819782417 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373.368 3.483 20 30 FGEDRM C[C@H](CC(=O)[O-])C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 ZINC000827316956 602102865 /nfs/dbraw/zinc/10/28/65/602102865.db2.gz GWZZLSQYCRSEOE-CQSZACIVSA-N -1 0 352.390 3.381 20 30 FGEDRM C[C@@H](Oc1ccc(/C=C2\COc3c(F)cc(F)cc3C2=O)cc1)C(=O)[O-] ZINC000794698098 602109159 /nfs/dbraw/zinc/10/91/59/602109159.db2.gz HJKMIEAVXHJREI-HAAVITCDSA-N -1 0 360.312 3.475 20 30 FGEDRM C=C(C)Cn1c(SCc2ccoc2C(=O)[O-])nnc1-c1ccncc1 ZINC000825647086 602240157 /nfs/dbraw/zinc/24/01/57/602240157.db2.gz DMOPVOOPUOQHGY-UHFFFAOYSA-N -1 0 356.407 3.500 20 30 FGEDRM CN(Cc1ccc(NC(=O)N(CCC#N)Cc2ccccn2)cc1)C(=O)[O-] ZINC000830830403 602279023 /nfs/dbraw/zinc/27/90/23/602279023.db2.gz CCESERYKVJILLS-UHFFFAOYSA-N -1 0 367.409 3.139 20 30 FGEDRM Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)[C@@H](C)NC(=O)[O-] ZINC000740080574 602512024 /nfs/dbraw/zinc/51/20/24/602512024.db2.gz BOYLALYUYINGJD-CYBMUJFWSA-N -1 0 355.369 3.195 20 30 FGEDRM N#Cc1cc(NC(=O)N2CCC[C@@H]([C@@H]3CCCN3C(=O)[O-])C2)ccc1F ZINC000740314748 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374.281 3.017 20 30 FGEDRM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1cccc(NC(=O)C2CCCCC2)c1 ZINC000819856511 598229758 /nfs/dbraw/zinc/22/97/58/598229758.db2.gz JBPXOUMYKFOOJB-LJQANCHMSA-N -1 0 357.410 3.148 20 30 FGEDRM CCOc1ccc(C[C@@H](CNc2ccc(C#N)cc2[N+](=O)[O-])C(=O)[O-])cc1 ZINC000737205259 599707667 /nfs/dbraw/zinc/70/76/67/599707667.db2.gz HKNSPNTWWBKBNF-HNNXBMFYSA-N -1 0 369.377 3.221 20 30 FGEDRM CCc1n[nH]cc1C(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC000737247905 599729282 /nfs/dbraw/zinc/72/92/82/599729282.db2.gz URAIVZHQEWJKQI-UHFFFAOYSA-N -1 0 359.385 3.322 20 30 FGEDRM N#Cc1cccc(COc2ccc(NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])cc2Cl)c1 ZINC000739133622 599797922 /nfs/dbraw/zinc/79/79/22/599797922.db2.gz LJGUKGGPKVPTFQ-CABCVRRESA-N -1 0 370.792 3.450 20 30 FGEDRM N#Cc1cccc(OC2CCN(C(=O)NCCCCCCC(=O)[O-])CC2)c1 ZINC000739133182 599832156 /nfs/dbraw/zinc/83/21/56/599832156.db2.gz GGPXIBQAYQXJNO-UHFFFAOYSA-N -1 0 373.453 3.146 20 30 FGEDRM C=CCn1c(-c2ccco2)nn(CN2CCCC[C@@H]2CC(=O)[O-])c1=S 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600742079 /nfs/dbraw/zinc/74/20/79/600742079.db2.gz DQTXRFPISLVEPM-KDOFPFPSSA-N -1 0 353.374 3.332 20 30 FGEDRM CC(C)(CC(=O)[O-])NC(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC000736311229 600774225 /nfs/dbraw/zinc/77/42/25/600774225.db2.gz NQWLTJKCOCDMFG-UHFFFAOYSA-N -1 0 352.390 3.120 20 30 FGEDRM CCC1=C(C(=O)[O-])[C@@H](c2ccc(C#N)o2)NC(=O)N1Cc1cccs1 ZINC000829069999 600783799 /nfs/dbraw/zinc/78/37/99/600783799.db2.gz VWMHWWMVLAHLSK-OAHLLOKOSA-N -1 0 357.391 3.228 20 30 FGEDRM C#Cc1ccc(C(=O)O[C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)cn1 ZINC000825636292 600892616 /nfs/dbraw/zinc/89/26/16/600892616.db2.gz HAYCZVUJZGRXOM-CQSZACIVSA-N -1 0 350.157 3.352 20 30 FGEDRM C#Cc1ccc(C(=O)O[C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)cn1 ZINC000825636291 600892738 /nfs/dbraw/zinc/89/27/38/600892738.db2.gz HAYCZVUJZGRXOM-AWEZNQCLSA-N -1 0 350.157 3.352 20 30 FGEDRM CC(C)C[C@H](CNC(=O)c1occc1COc1cccc(C#N)c1)C(=O)[O-] ZINC000736409357 600919746 /nfs/dbraw/zinc/91/97/46/600919746.db2.gz FAKOITCYTHFWHV-MRXNPFEDSA-N -1 0 370.405 3.207 20 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C=C(Br)CNC(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000825642073 601990020 /nfs/dbraw/zinc/99/00/20/601990020.db2.gz HNFFNKGZCCPACR-UHFFFAOYSA-N -1 0 367.121 3.434 20 30 FGEDRM COc1ccc(C(=O)/C=C/c2ccc(O[C@H](C)C(=O)[O-])cc2)c(OC)c1 ZINC000794692979 602105528 /nfs/dbraw/zinc/10/55/28/602105528.db2.gz YYEXJQMUVKMYEU-ASJRZHAZSA-N -1 0 356.374 3.452 20 30 FGEDRM CCc1nnc(Nc2ccc(OCCCC(=O)[O-])cc2)c(C#N)c1CC ZINC000830335002 602120748 /nfs/dbraw/zinc/12/07/48/602120748.db2.gz HHRMRMCCTKZXEG-UHFFFAOYSA-N -1 0 354.410 3.460 20 30 FGEDRM C=CCC(CC=C)C(=O)N[C@H](C(=O)[O-])c1ccc(Br)cc1 ZINC000262071193 602131876 /nfs/dbraw/zinc/13/18/76/602131876.db2.gz CZPHOEWMUGLOKJ-AWEZNQCLSA-N -1 0 352.228 3.459 20 30 FGEDRM N#CCOc1cc(F)ccc1NC(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000833068184 602283159 /nfs/dbraw/zinc/28/31/59/602283159.db2.gz RXUWZPRCKLZYKV-UHFFFAOYSA-N -1 0 358.329 3.140 20 30 FGEDRM N#Cc1ccc(Oc2cccc(C(=O)N3CCC(NC(=O)[O-])CC3)c2)cc1 ZINC000740321385 602297299 /nfs/dbraw/zinc/29/72/99/602297299.db2.gz 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C=CCN(Cc1cccs1)C(=O)Cn1c(=O)c2ccccc2[n-]c1=S ZINC000120634024 700657689 /nfs/dbraw/zinc/65/76/89/700657689.db2.gz YWGPNIHPWLLDRN-UHFFFAOYSA-N -1 0 371.487 3.335 20 30 FGEDRM COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2OCC#N)cc1Cl ZINC000122358226 700688799 /nfs/dbraw/zinc/68/87/99/700688799.db2.gz CVPJSYVDIFTBOR-UHFFFAOYSA-N -1 0 370.789 3.191 20 30 FGEDRM Cn1ccnc1C(=O)C(C#N)=C([O-])c1ccc(SC(F)(F)F)cc1 ZINC000122692182 700694034 /nfs/dbraw/zinc/69/40/34/700694034.db2.gz UPUJADJLOKFTPU-LLVKDONJSA-N -1 0 353.325 3.237 20 30 FGEDRM Cn1ccnc1C([O-])=C(C#N)C(=O)CSc1cccc(C(F)(F)F)c1 ZINC000122721544 700694631 /nfs/dbraw/zinc/69/46/31/700694631.db2.gz KAIHEEZLDSQNDN-GFCCVEGCSA-N -1 0 367.352 3.123 20 30 FGEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1cnc(-c2ccccc2Cl)s1 ZINC000127637514 700764393 /nfs/dbraw/zinc/76/43/93/700764393.db2.gz OJSOOHPDURFAQN-GFCCVEGCSA-N -1 0 359.838 3.408 20 30 FGEDRM Cc1cccc(NC(=O)C(C#N)=C([O-])c2cnc([C@H]3CCCO3)s2)c1 ZINC000127830072 700767195 /nfs/dbraw/zinc/76/71/95/700767195.db2.gz 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C=CCC[C@@H](NC(=O)CCCc1ccc(Br)s1)C(=O)[O-] ZINC000262783433 713729215 /nfs/dbraw/zinc/72/92/15/713729215.db2.gz BGASDPMJEJUHAC-LLVKDONJSA-N -1 0 360.273 3.369 20 30 FGEDRM COCc1cccc2sc([N-]S(=O)(=O)c3ccc(C#N)cc3C)nc21 ZINC000525435430 714352996 /nfs/dbraw/zinc/35/29/96/714352996.db2.gz BLMBELKPOYBYPZ-UHFFFAOYSA-N -1 0 373.459 3.424 20 30 FGEDRM CCCCCc1n[n-]c(=NC(=O)N[C@H]2CCc3cc(C#N)ccc32)s1 ZINC000618743464 714773205 /nfs/dbraw/zinc/77/32/05/714773205.db2.gz PIOZLGKMQYJZDR-HNNXBMFYSA-N -1 0 355.467 3.373 20 30 FGEDRM C[C@H](NC(=O)N=c1nc(-c2ccsc2)[n-]s1)c1cccc(C#N)c1 ZINC000619206544 714811672 /nfs/dbraw/zinc/81/16/72/714811672.db2.gz KBQIUKUCZJSZHT-JTQLQIEISA-N -1 0 355.448 3.443 20 30 FGEDRM COc1ccc(S(=O)(=O)[N-]c2ccccc2O[C@@H](C)C#N)cc1Cl ZINC000779848051 724430360 /nfs/dbraw/zinc/43/03/60/724430360.db2.gz JRPNRKJZGNGRGF-NSHDSACASA-N -1 0 366.826 3.440 20 30 FGEDRM C=C(C)C[C@H](NC(=O)c1sc2cccc(F)c2c1COC)C(=O)[O-] ZINC000630319299 716435449 /nfs/dbraw/zinc/43/54/49/716435449.db2.gz XMLQYAOKOQBTPA-LBPRGKRZSA-N -1 0 351.399 3.336 20 30 FGEDRM C=C(C)C[C@@H](NC(=O)c1cc(Cl)c(OCCC)c(OC)c1)C(=O)[O-] ZINC000630319218 716435638 /nfs/dbraw/zinc/43/56/38/716435638.db2.gz VVSGQXQNDFBGJU-CYBMUJFWSA-N -1 0 355.818 3.287 20 30 FGEDRM C=CCCCS(=O)(=O)N1[C@@H](c2ccc(C)cc2C)SC[C@@H]1C(=O)[O-] ZINC000644629283 718135286 /nfs/dbraw/zinc/13/52/86/718135286.db2.gz OPMNIHSIERSWFF-HZPDHXFCSA-N -1 0 369.508 3.100 20 30 FGEDRM Cc1oc(-c2cnn(C)c2)nc1C([O-])=C(C#N)c1nc(C2CC2)cs1 ZINC000647378440 718353784 /nfs/dbraw/zinc/35/37/84/718353784.db2.gz ZZPGKDIFTCWOTH-GFCCVEGCSA-N -1 0 353.407 3.208 20 30 FGEDRM Cc1ccc(-c2ccc(C(=O)[N-]S(=O)(=O)c3cccc(C#N)c3)s2)o1 ZINC000781756457 724594030 /nfs/dbraw/zinc/59/40/30/724594030.db2.gz JFMTTYJFKIUZKQ-UHFFFAOYSA-N -1 0 372.427 3.307 20 30 FGEDRM O=S(=O)([N-]c1nccs1)c1ccc(N=NC[C@H]2CCSC2)cc1 ZINC000782242902 724642625 /nfs/dbraw/zinc/64/26/25/724642625.db2.gz OZGZMZYCJPWBOB-LLVKDONJSA-N -1 0 368.509 3.095 20 30 FGEDRM 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Cc1csc(C(C#N)=C([O-])COC(=O)CC2CCC(F)(F)CC2)n1 ZINC000860333034 732498830 /nfs/dbraw/zinc/49/88/30/732498830.db2.gz QTLDLXJPSUJQDV-GFCCVEGCSA-N -1 0 356.394 3.387 20 30 FGEDRM CCc1nocc1C([O-])=C(C#N)C(=O)Nc1cc(C)c(Cl)cc1OC ZINC000860468920 732518475 /nfs/dbraw/zinc/51/84/75/732518475.db2.gz GGZLSPXWVFRPLC-JTQLQIEISA-N -1 0 361.785 3.169 20 30 FGEDRM C=CC[C@@H]1CCN(C(=O)c2cccc(I)c2[O-])C1 ZINC000862542876 732848335 /nfs/dbraw/zinc/84/83/35/732848335.db2.gz CNWHHGZYLJFOBG-SNVBAGLBSA-N -1 0 357.191 3.035 20 30 FGEDRM C=CCC[C@H](NC(=O)c1ccc(Br)c(SC)c1)C(=O)[O-] ZINC000864142330 733032174 /nfs/dbraw/zinc/03/21/74/733032174.db2.gz GMUUGCJOIACCER-NSHDSACASA-N -1 0 358.257 3.320 20 30 FGEDRM C=C(Cl)C[C@@H](NC(=O)CCc1ccccc1OC(F)(F)F)C(=O)[O-] ZINC000864183427 733036993 /nfs/dbraw/zinc/03/69/93/733036993.db2.gz KBPAWHKZSZHCDN-LLVKDONJSA-N -1 0 365.735 3.230 20 30 FGEDRM C=C(Cl)C[C@@H](NC(=O)[C@H](C)c1ccc(Br)cc1)C(=O)[O-] ZINC000864186229 733037519 /nfs/dbraw/zinc/03/75/19/733037519.db2.gz LEQVAPXRFRVIHE-BXKDBHETSA-N -1 0 360.635 3.265 20 30 FGEDRM C=C(Cl)C[C@@H](NC(=O)c1cc(NC(=O)C(C)(C)C)ccc1F)C(=O)[O-] ZINC000864186009 733037759 /nfs/dbraw/zinc/03/77/59/733037759.db2.gz HEOHXDHQNQYQQM-CYBMUJFWSA-N -1 0 370.808 3.136 20 30 FGEDRM C[C@@H]1C[C@H](C(=O)C(C#N)=C([O-])c2sccc2Br)[C@H](C)O1 ZINC000870454791 733854390 /nfs/dbraw/zinc/85/43/90/733854390.db2.gz OYKGYNREGJNTCB-XFWSIPNHSA-N -1 0 356.241 3.216 20 30 FGEDRM C=CC1(S(=O)(=O)[N-]C(=O)c2cnc3ccccc3c2C(F)(F)F)CC1 ZINC000870833185 733894299 /nfs/dbraw/zinc/89/42/99/733894299.db2.gz YNYCKONHRYXRKB-UHFFFAOYSA-N -1 0 370.352 3.032 20 30 FGEDRM C[C@@]1(CS(=O)(=O)[N-][C@H](c2cccc(C#N)c2)C(F)(F)F)CC1(F)F ZINC000882506825 737462251 /nfs/dbraw/zinc/46/22/51/737462251.db2.gz YKLCITISHRTCAK-NEPJUHHUSA-N -1 0 368.327 3.126 20 30 FGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2cscc2C(F)F)n1 ZINC000885596157 739172657 /nfs/dbraw/zinc/17/26/57/739172657.db2.gz CCMSXTJMZQMWEU-QMMMGPOBSA-N -1 0 356.375 3.484 20 30 FGEDRM Cn1nc(CC(C)(C)C)cc1[N-]S(=O)(=O)c1ccc(CCC#N)cc1 ZINC000886393879 739253983 /nfs/dbraw/zinc/25/39/83/739253983.db2.gz GSFQOJJCTQLIBC-UHFFFAOYSA-N -1 0 360.483 3.266 20 30 FGEDRM CCCCc1nnc([N-]S(=O)(=O)c2ccc(CCC#N)cc2)s1 ZINC000886397295 739254618 /nfs/dbraw/zinc/25/46/18/739254618.db2.gz BJJIOHCYMCZLEG-UHFFFAOYSA-N -1 0 350.469 3.138 20 30 FGEDRM COc1cccc(NC(=O)C(C#N)=C([O-])c2cnc(CC3CC3)s2)c1 ZINC000892491382 740006021 /nfs/dbraw/zinc/00/60/21/740006021.db2.gz JKGDMVCKJCJROJ-AWEZNQCLSA-N -1 0 355.419 3.065 20 30 FGEDRM C#CC1(O)CCN(C(=O)c2cc(-c3ccccc3)cc(Cl)c2[O-])CC1 ZINC000899115292 742875897 /nfs/dbraw/zinc/87/58/97/742875897.db2.gz HPMXRSKCMSZPAN-UHFFFAOYSA-N -1 0 355.821 3.313 20 30 FGEDRM C=CCC[C@@H](NC(=O)Nc1ccc(N2CCSCC2)cc1C)C(=O)[O-] ZINC000900334319 743095956 /nfs/dbraw/zinc/09/59/56/743095956.db2.gz WNYMUNCRPPAXTA-MRXNPFEDSA-N -1 0 363.483 3.089 20 30 FGEDRM C=CCOC[C@H](NC(=O)Nc1cccc(CSC(C)C)c1C)C(=O)[O-] ZINC000900335213 743096021 /nfs/dbraw/zinc/09/60/21/743096021.db2.gz CQZGIDUJLGWDEA-INIZCTEOSA-N -1 0 366.483 3.414 20 30 FGEDRM COC(=O)c1csc([N-]S(=O)(=O)c2ccc(CCC#N)cc2)c1C ZINC000901651268 743611066 /nfs/dbraw/zinc/61/10/66/743611066.db2.gz BKTVNAJTKBZSQP-UHFFFAOYSA-N -1 0 364.448 3.100 20 30 FGEDRM C=CCCc1ccc(S(=O)(=O)[N-]c2ccnn2C2CCOCC2)cc1 ZINC000903682068 743873225 /nfs/dbraw/zinc/87/32/25/743873225.db2.gz BDIIOIVMGHLOJU-UHFFFAOYSA-N -1 0 361.467 3.154 20 30 FGEDRM CCc1c(C)sc([N-]S(=O)(=O)c2c(OC)cccc2OC)c1C#N ZINC000906073496 744089608 /nfs/dbraw/zinc/08/96/08/744089608.db2.gz ONSVCMSELOYOOH-UHFFFAOYSA-N -1 0 366.464 3.309 20 30 FGEDRM C=C(Cl)C[C@H](NC(=O)NC[C@@H]1CCC[C@@H](C(F)(F)F)C1)C(=O)[O-] ZINC000909005831 744333193 /nfs/dbraw/zinc/33/31/93/744333193.db2.gz WWSUOJZDTDTURS-MXWKQRLJSA-N -1 0 356.772 3.250 20 30 FGEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2cnc(CC(C)C)s2)n1 ZINC000910030526 744409413 /nfs/dbraw/zinc/40/94/13/744409413.db2.gz HSRMKGGOKNUBRF-LLVKDONJSA-N -1 0 363.464 3.140 20 30 FGEDRM C=C(C)[C@@H](CC(=O)Nc1ccc(C(=O)[O-])cc1OCC(F)F)OCC ZINC000910221369 744430442 /nfs/dbraw/zinc/43/04/42/744430442.db2.gz XKFWESGVQXFXQG-CYBMUJFWSA-N -1 0 357.353 3.339 20 30 FGEDRM C=C(Cl)C[C@@H](NC(=O)[C@@H](C)c1ccc(C(=O)C(C)C)cc1)C(=O)[O-] ZINC000910272332 744436321 /nfs/dbraw/zinc/43/63/21/744436321.db2.gz UZBCYGHZVPXUEA-SWLSCSKDSA-N -1 0 351.830 3.341 20 30 FGEDRM O=C([O-])c1cc([N-][NH+]=Cc2ccccc2N2CCOCC2)ccc1Cl ZINC000912777806 757373138 /nfs/dbraw/zinc/37/31/38/757373138.db2.gz SDMFTQVZFPYRRX-UHFFFAOYSA-N -1 0 359.813 3.321 20 30 FGEDRM FC(F)(F)c1n[n-]c(=S)n1N=Cc1ccc(N2CCCCC2)cc1 ZINC000916305202 758067964 /nfs/dbraw/zinc/06/79/64/758067964.db2.gz MJTMNQKHOOYCPQ-UHFFFAOYSA-N -1 0 355.389 3.458 20 30 FGEDRM O=[N+]([O-])c1cc(Cl)cc(CN=Nc2c(F)c(F)nc(F)c2F)c1[O-] ZINC000916325428 758071101 /nfs/dbraw/zinc/07/11/01/758071101.db2.gz NGMRRBAPYFSXOX-UHFFFAOYSA-N -1 0 364.642 3.351 20 30 FGEDRM CC(C)CNN=Cc1cc(Br)c([O-])c(Br)c1 ZINC000916365848 758074134 /nfs/dbraw/zinc/07/41/34/758074134.db2.gz LPMCICGZJLLUSG-UHFFFAOYSA-N -1 0 350.054 3.497 20 30 FGEDRM COCCCNC(=O)C(C#N)=C([O-])c1cc2c(cccc2Cl)s1 ZINC000916869951 758148468 /nfs/dbraw/zinc/14/84/68/758148468.db2.gz AHILODFUJFHGGT-LLVKDONJSA-N -1 0 350.827 3.030 20 30 FGEDRM COC(=O)c1ccc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2)s1 ZINC000916883838 758151153 /nfs/dbraw/zinc/15/11/53/758151153.db2.gz VCPPYBOVNZKRCO-LLVKDONJSA-N -1 0 362.794 3.149 20 30 FGEDRM CCCCCCCCC(=O)[N-]S(=O)(=O)c1ccc(C(=O)OC)s1 ZINC000917433510 758220946 /nfs/dbraw/zinc/22/09/46/758220946.db2.gz CIPKENPRLKHHFX-UHFFFAOYSA-N -1 0 361.485 3.090 20 30 FGEDRM CCCn1c(C=Nn2c(=S)[n-]nc2C(F)(F)F)nc2ccccc21 ZINC000917533880 758234389 /nfs/dbraw/zinc/23/43/89/758234389.db2.gz BSYPNBOMKUPWMW-UHFFFAOYSA-N -1 0 354.361 3.228 20 30 FGEDRM C#Cc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])cc3c2CCCC3)c1 ZINC000917732164 758263156 /nfs/dbraw/zinc/26/31/56/758263156.db2.gz PHMJIMDJROLFOD-UHFFFAOYSA-N -1 0 355.415 3.046 20 30 FGEDRM N#Cc1cc(CS(=O)(=O)[N-][C@H](CCc2ccccc2)C(F)F)cs1 ZINC000918009842 758297794 /nfs/dbraw/zinc/29/77/94/758297794.db2.gz IKEKYZCOYRGGGV-OAHLLOKOSA-N -1 0 370.446 3.306 20 30 FGEDRM N#Cc1ccccc1CS(=O)(=O)[N-]C(=O)c1cc2sccc2s1 ZINC000918479858 758329139 /nfs/dbraw/zinc/32/91/39/758329139.db2.gz QPQALBPZEVYZSR-UHFFFAOYSA-N -1 0 362.457 3.094 20 30 FGEDRM C=C(Cl)C[C@@H](NC(=O)N[C@@H](C)c1ccc2ncsc2c1)C(=O)[O-] ZINC000929038759 760309174 /nfs/dbraw/zinc/30/91/74/760309174.db2.gz YJWVZLYWZHKNND-JOYOIKCWSA-N -1 0 353.831 3.252 20 30 FGEDRM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]C(=O)c1ccc(C#N)cc1 ZINC000104794632 222361117 /nfs/dbraw/zinc/36/11/17/222361117.db2.gz ZAKBTUBOTWLPDL-UHFFFAOYSA-N -1 0 356.447 3.283 20 30 FGEDRM C=CCOc1ccccc1CN=c1[n-]nc([C@@H]2COc3ccccc3O2)o1 ZINC000579649589 505594166 /nfs/dbraw/zinc/59/41/66/505594166.db2.gz JSXXWJJJRJIHNK-SFHVURJKSA-N -1 0 365.389 3.181 20 30 FGEDRM CC(C)Cn1ncc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)c1C1CC1 ZINC000576806013 505598742 /nfs/dbraw/zinc/59/87/42/505598742.db2.gz NAFKXBUHOUFKFB-UHFFFAOYSA-N -1 0 362.430 3.228 20 30 FGEDRM C=CCC(CC=C)C(=O)N=c1cc(-c2ccn(Cc3ccccc3)n2)[n-][nH]1 ZINC000568130785 505623916 /nfs/dbraw/zinc/62/39/16/505623916.db2.gz YNHOYNWKNBRTSP-UHFFFAOYSA-N -1 0 361.449 3.450 20 30 FGEDRM C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N=c1[nH][n-]c(C2CC2)c1C#N ZINC000568128577 505624063 /nfs/dbraw/zinc/62/40/63/505624063.db2.gz ZXYXCIYPYKCVLD-QMMMGPOBSA-N -1 0 365.220 3.293 20 30 FGEDRM Cc1csc(C(C#N)=C([O-])c2ccccc2OCc2noc(C)n2)n1 ZINC000075830376 493782281 /nfs/dbraw/zinc/78/22/81/493782281.db2.gz CJJNDNXWIHNKGQ-CYBMUJFWSA-N -1 0 354.391 3.212 20 30 FGEDRM C=CCNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(CCC)cc1 ZINC000007054214 493997400 /nfs/dbraw/zinc/99/74/00/493997400.db2.gz YLEVRBJOXYUCSV-UHFFFAOYSA-N -1 0 358.463 3.356 20 30 FGEDRM CCOc1cccc([C@H](C)NC(=O)c2cc(C#N)c(SC)[n-]c2=O)c1 ZINC000063341241 494047494 /nfs/dbraw/zinc/04/74/94/494047494.db2.gz TVEIBVZPYIDSFE-NSHDSACASA-N -1 0 357.435 3.270 20 30 FGEDRM N#CC(=C([O-])c1cc(-c2ccc(F)cc2)[nH]n1)c1nnc2n1CCCCC2 ZINC000041505953 494166691 /nfs/dbraw/zinc/16/66/91/494166691.db2.gz AOBVSOBPWLDULA-CQSZACIVSA-N -1 0 364.384 3.024 20 30 FGEDRM CSc1[n-]c(=O)c(C(=O)Nc2nc(-c3ccco3)cs2)cc1C#N ZINC000078360764 494287358 /nfs/dbraw/zinc/28/73/58/494287358.db2.gz GUGGOOKXCVFWIH-UHFFFAOYSA-N -1 0 358.404 3.350 20 30 FGEDRM C=CCNC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(CC)s2)cc1 ZINC000055580922 494365787 /nfs/dbraw/zinc/36/57/87/494365787.db2.gz ASCHHQZCZGFIQZ-UHFFFAOYSA-N -1 0 365.480 3.419 20 30 FGEDRM Cc1cc([N-]S(=O)(=O)c2ccccc2C#N)ccc1Br ZINC000016129533 494379301 /nfs/dbraw/zinc/37/93/01/494379301.db2.gz MAHDUYCSNYYQJM-UHFFFAOYSA-N -1 0 351.225 3.430 20 30 FGEDRM CCn1cc(S(=O)(=O)[N-]c2ccc(Oc3cccc(C#N)c3)cc2)cn1 ZINC000066813935 494414085 /nfs/dbraw/zinc/41/40/85/494414085.db2.gz UJXKHLXXHBOSPJ-UHFFFAOYSA-N -1 0 368.418 3.368 20 30 FGEDRM C[C@@H](CC#N)Sc1ccccc1[N-]S(=O)(=O)c1cncc(F)c1 ZINC000066814098 494414935 /nfs/dbraw/zinc/41/49/35/494414935.db2.gz PSTXRCXAEVVALM-NSHDSACASA-N -1 0 351.428 3.416 20 30 FGEDRM CC(C)Oc1ccc(S(=O)(=O)[N-]c2nn(C(C)(C)C)cc2C#N)cc1 ZINC000091018580 494512353 /nfs/dbraw/zinc/51/23/53/494512353.db2.gz DLPPRESBTIHOLS-UHFFFAOYSA-N -1 0 362.455 3.098 20 30 FGEDRM CCOc1cc2c(cc1[N-]S(=O)(=O)c1ccccc1C#N)O[C@@H](C)C2 ZINC000022244904 494518478 /nfs/dbraw/zinc/51/84/78/494518478.db2.gz DIYPESZDSZTQLJ-LBPRGKRZSA-N -1 0 358.419 3.081 20 30 FGEDRM CC(C)Oc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000057122680 494646368 /nfs/dbraw/zinc/64/63/68/494646368.db2.gz CISWVCSHCVUFJW-UHFFFAOYSA-N -1 0 352.362 3.424 20 30 FGEDRM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)c(OC[C@@H]2CCCO2)c1 ZINC000057123855 494648616 /nfs/dbraw/zinc/64/86/16/494648616.db2.gz PDOVVWKOHFRKET-INIZCTEOSA-N -1 0 372.446 3.225 20 30 FGEDRM N#Cc1nc(NC(=O)CSCc2ccc(Cl)cc2Cl)[n-]c1C#N ZINC000057155963 494659906 /nfs/dbraw/zinc/65/99/06/494659906.db2.gz VFJZPBYXQDJHMD-UHFFFAOYSA-N -1 0 366.233 3.332 20 30 FGEDRM C[C@H](C#N)CSc1ccccc1[N-]S(=O)(=O)c1ncn(C)c1Cl ZINC000108251873 494670703 /nfs/dbraw/zinc/67/07/03/494670703.db2.gz JMOBCVIONLIUDN-SNVBAGLBSA-N -1 0 370.887 3.126 20 30 FGEDRM CC(C)(C)n1cc(C#N)c([N-]S(=O)(=O)c2c(F)cccc2Cl)n1 ZINC000126219901 494676493 /nfs/dbraw/zinc/67/64/93/494676493.db2.gz GELOBDBMPVFRLH-UHFFFAOYSA-N -1 0 356.810 3.103 20 30 FGEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc3ccccc3n2)n1 ZINC000067895618 494685760 /nfs/dbraw/zinc/68/57/60/494685760.db2.gz SSOBLDSQXYDERX-GFCCVEGCSA-N -1 0 351.387 3.358 20 30 FGEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cc(-c3ccccc3)[nH]n2)n1 ZINC000067896207 494686295 /nfs/dbraw/zinc/68/62/95/494686295.db2.gz AUOHOMCRFGXJBI-LBPRGKRZSA-N -1 0 366.402 3.200 20 30 FGEDRM O=C(Nc1cccc(C/N=C/c2cc([N+](=O)[O-])ccc2[O-])c1)[C@@H]1CCCO1 ZINC000067943146 494704194 /nfs/dbraw/zinc/70/41/94/494704194.db2.gz CAVNWPOUBZJXJM-TYJAPOHBSA-N -1 0 369.377 3.037 20 30 FGEDRM Cn1nc(CC(C)(C)C)cc1[N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000108639886 494755283 /nfs/dbraw/zinc/75/52/83/494755283.db2.gz XNFNRBIUJXAUPH-UHFFFAOYSA-N -1 0 366.874 3.335 20 30 FGEDRM N#Cc1nc(NC(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)[n-]c1C#N ZINC000026271965 494814526 /nfs/dbraw/zinc/81/45/26/494814526.db2.gz PIGJIQCKDFTOIO-UHFFFAOYSA-N -1 0 371.360 3.049 20 30 FGEDRM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000026547937 494832015 /nfs/dbraw/zinc/83/20/15/494832015.db2.gz TVACRQSOHSEPOU-UHFFFAOYSA-N -1 0 358.419 3.295 20 30 FGEDRM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cc(F)c(F)cc1Cl ZINC000121824935 494868748 /nfs/dbraw/zinc/86/87/48/494868748.db2.gz WDJDTVWULSVAJZ-UHFFFAOYSA-N -1 0 373.724 3.199 20 30 FGEDRM Cc1cc(S(=O)(=O)[N-]c2ncccc2OCCCC#N)c(C)s1 ZINC000109422493 494871609 /nfs/dbraw/zinc/87/16/09/494871609.db2.gz PHTJUUBMDGGUTN-UHFFFAOYSA-N -1 0 351.453 3.243 20 30 FGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2CCC(F)(F)F)cn1 ZINC000132802273 494927155 /nfs/dbraw/zinc/92/71/55/494927155.db2.gz BYHSLQFWAUYIQZ-UHFFFAOYSA-N -1 0 355.341 3.249 20 30 FGEDRM CSc1[n-]c(=O)c(C(=O)N[C@@H]2CC(C)(C)Cc3oc(C)cc32)cc1C#N ZINC000127509883 494954839 /nfs/dbraw/zinc/95/48/39/494954839.db2.gz XLBUCTSAFCSWFP-CQSZACIVSA-N -1 0 371.462 3.313 20 30 FGEDRM CSc1[n-]c(=O)c(C(=O)N[C@@H](c2ccccc2)C2CCC2)cc1C#N ZINC000117986634 494968665 /nfs/dbraw/zinc/96/86/65/494968665.db2.gz SQPZYLSIWXWHOH-INIZCTEOSA-N -1 0 353.447 3.240 20 30 FGEDRM N#CCCN(C(=O)c1nn(-c2ccccc2)cc1[O-])c1ccc(F)cc1 ZINC000577564310 505752913 /nfs/dbraw/zinc/75/29/13/505752913.db2.gz YGDIYFGAXQZTQI-UHFFFAOYSA-N -1 0 350.353 3.277 20 30 FGEDRM C[C@H]1CCn2ncc(C([O-])=C(C#N)c3nc(-c4ccncc4)cs3)c2C1 ZINC000571560158 505761394 /nfs/dbraw/zinc/76/13/94/505761394.db2.gz DNUVHOSXSUNANT-GXTWGEPZSA-N -1 0 363.446 3.474 20 30 FGEDRM C=CCNC(=O)c1ccc([N-]S(=O)(=O)c2cc(F)ccc2Cl)cc1 ZINC000103058921 495188149 /nfs/dbraw/zinc/18/81/49/495188149.db2.gz OXHTYOIKLWFOBV-UHFFFAOYSA-N -1 0 368.817 3.196 20 30 FGEDRM CC[C@H](CSc1ccccc1)NC(=O)c1cc(C#N)c(SC)[n-]c1=O ZINC000124117837 495236418 /nfs/dbraw/zinc/23/64/18/495236418.db2.gz KAFFSIAWSXUPSS-CYBMUJFWSA-N -1 0 373.503 3.269 20 30 FGEDRM N#Cc1nc(NC(=O)c2sc3ccccc3c2Br)[n-]c1C#N ZINC000571604666 505770640 /nfs/dbraw/zinc/77/06/40/505770640.db2.gz HWEXYHRWGFELGC-UHFFFAOYSA-N -1 0 372.207 3.383 20 30 FGEDRM CCOCc1cccc([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)c1 ZINC000129735290 495287896 /nfs/dbraw/zinc/28/78/96/495287896.db2.gz VTWLCSRPUOFIIE-UHFFFAOYSA-N -1 0 352.362 3.174 20 30 FGEDRM COc1ccc(-c2cc(C([O-])=C(C#N)c3nc4ccccc4[nH]3)n[nH]2)cc1 ZINC000130011201 495327944 /nfs/dbraw/zinc/32/79/44/495327944.db2.gz YSZWFIKOERBDOU-CQSZACIVSA-N -1 0 357.373 3.452 20 30 FGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])c1 ZINC000130303988 495370896 /nfs/dbraw/zinc/37/08/96/495370896.db2.gz JNPHDNWVHPMHLV-UHFFFAOYSA-N -1 0 371.296 3.286 20 30 FGEDRM COC(=O)c1ccc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)cc1 ZINC000114620316 495399305 /nfs/dbraw/zinc/39/93/05/495399305.db2.gz ZFPQREQXEZSXHX-OAHLLOKOSA-N -1 0 363.398 3.482 20 30 FGEDRM N#CC(=C([O-])c1ncn(-c2ccccc2)n1)c1ccc(C(F)(F)F)cn1 ZINC000130993027 495476702 /nfs/dbraw/zinc/47/67/02/495476702.db2.gz OAVFJTHUDFQBJN-CYBMUJFWSA-N -1 0 357.295 3.171 20 30 FGEDRM CC[C@@](C)([N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)c1nc(C)cs1 ZINC000125660696 495478354 /nfs/dbraw/zinc/47/83/54/495478354.db2.gz PLCJDBZUSKSEBJ-OAHLLOKOSA-N -1 0 371.434 3.205 20 30 FGEDRM N#Cc1cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)ccc1F ZINC000154422891 495611678 /nfs/dbraw/zinc/61/16/78/495611678.db2.gz RLYVSFGELTUAQK-UHFFFAOYSA-N -1 0 369.299 3.389 20 30 FGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2c[nH]nc2-c2ccccc2F)c(F)c1 ZINC000571704241 505795126 /nfs/dbraw/zinc/79/51/26/505795126.db2.gz SOLZRYFHEOGCTH-UHFFFAOYSA-N -1 0 360.345 3.027 20 30 FGEDRM Cn1c2ccccc2nc1C(C#N)=C([O-])c1ncccc1OCC(F)(F)F ZINC000176453307 495654982 /nfs/dbraw/zinc/65/49/82/495654982.db2.gz GJMXVBOARNMJSQ-LLVKDONJSA-N -1 0 374.322 3.399 20 30 FGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccnn2-c2ccccc2)cc1Cl ZINC000174024005 495792175 /nfs/dbraw/zinc/79/21/75/495792175.db2.gz OVNAIMBOZWLSPC-UHFFFAOYSA-N -1 0 358.810 3.198 20 30 FGEDRM COc1ccc(C#N)cc1CSc1nc(=O)cc([O-])n1C1CCCC1 ZINC000179955504 495798942 /nfs/dbraw/zinc/79/89/42/495798942.db2.gz VDZBEYXPHMMRCV-UHFFFAOYSA-N -1 0 357.435 3.237 20 30 FGEDRM CC(C)(C)n1cc(C#N)c([N-]S(=O)(=O)c2ccccc2C(F)(F)F)n1 ZINC000177299855 496010476 /nfs/dbraw/zinc/01/04/76/496010476.db2.gz UZYUPOTXEGSHPM-UHFFFAOYSA-N -1 0 372.372 3.329 20 30 FGEDRM COc1cccc(OC)c1S(=O)(=O)[N-]c1ccc(C#N)c(Cl)c1 ZINC000186492937 496018824 /nfs/dbraw/zinc/01/88/24/496018824.db2.gz NYAIUTXZNIWPRF-UHFFFAOYSA-N -1 0 352.799 3.030 20 30 FGEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccn2)c(Cl)c1 ZINC000186650961 496090996 /nfs/dbraw/zinc/09/09/96/496090996.db2.gz ZRILOBLVHZJCAK-UHFFFAOYSA-N -1 0 361.732 3.426 20 30 FGEDRM Cc1cc(C)c([N-]S(=O)(=O)c2cncc(C#N)c2)cc1Br ZINC000571847986 505826968 /nfs/dbraw/zinc/82/69/68/505826968.db2.gz MCMUKLNEGHMTRY-UHFFFAOYSA-N -1 0 366.240 3.133 20 30 FGEDRM CC(C)n1cc(C#N)c([N-]S(=O)(=O)Cc2cccc(C(F)(F)F)c2)n1 ZINC000156115917 496161895 /nfs/dbraw/zinc/16/18/95/496161895.db2.gz 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ZINC000833069366 601714260 /nfs/dbraw/zinc/71/42/60/601714260.db2.gz UTCUHRVDRRFILK-HXUWFJFHSA-N -1 0 368.364 3.184 20 30 FGEDRM C[C@@H](Oc1ccc(C#N)cc1)C(=O)Oc1ccc(SCC(=O)[O-])cc1 ZINC000827879668 601877992 /nfs/dbraw/zinc/87/79/92/601877992.db2.gz VRDWJBDQSZILHW-GFCCVEGCSA-N -1 0 357.387 3.108 20 30 FGEDRM Cc1cc(C)cc(N(CCC#N)C(=O)CNc2ccc(F)c(C(=O)[O-])c2)c1 ZINC000832877364 601907217 /nfs/dbraw/zinc/90/72/17/601907217.db2.gz VVSUJMICFVLBSU-UHFFFAOYSA-N -1 0 369.396 3.500 20 30 FGEDRM COc1cc(C(=O)/C=C\c2ccc(O[C@@H](C)C(=O)[O-])cc2)c(OC)cc1O ZINC000794702718 601951587 /nfs/dbraw/zinc/95/15/87/601951587.db2.gz PJDINURMFXHXOZ-PWWFUAJNSA-N -1 0 372.373 3.157 20 30 FGEDRM N#CCCN(C(=O)CNc1cccc(CC(=O)[O-])c1)c1cccc(Cl)c1 ZINC000819090763 601969389 /nfs/dbraw/zinc/96/93/89/601969389.db2.gz AQFSEORZEOKURK-UHFFFAOYSA-N -1 0 371.824 3.326 20 30 FGEDRM CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000738968786 601972853 /nfs/dbraw/zinc/97/28/53/601972853.db2.gz MGSNDVAFLZEIPJ-MAUKXSAKSA-N -1 0 372.469 3.257 20 30 FGEDRM COc1ccc(C(=O)/C=C/c2ccc(O[C@@H](C)C(=O)[O-])cc2)cc1OC ZINC000794692057 602105505 /nfs/dbraw/zinc/10/55/05/602105505.db2.gz UEIQZSPDTYKNRX-PPOCWRSBSA-N -1 0 356.374 3.452 20 30 FGEDRM C[C@@H](CC(=O)[O-])C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 ZINC000827316732 602111112 /nfs/dbraw/zinc/11/11/12/602111112.db2.gz CXSUXILNPYWMFS-AWEZNQCLSA-N -1 0 352.390 3.381 20 30 FGEDRM N#CCOc1cc(F)ccc1NC(=O)Cn1cc(C(=O)[O-])c2ccccc21 ZINC000833068466 602198774 /nfs/dbraw/zinc/19/87/74/602198774.db2.gz ZFRZHHRQAFCWPX-UHFFFAOYSA-N -1 0 367.336 3.020 20 30 FGEDRM C#Cc1cccc(NC(=S)N2CCC([C@@H]3CCCN3C(=O)[O-])CC2)c1 ZINC000738470572 602232767 /nfs/dbraw/zinc/23/27/67/602232767.db2.gz KKQJZDJGWGJTPI-KRWDZBQOSA-N -1 0 357.479 3.219 20 30 FGEDRM COc1cc(C#N)cc(Cl)c1OC(=O)c1ccc(CNC(=O)[O-])cc1 ZINC000739851499 602261063 /nfs/dbraw/zinc/26/10/63/602261063.db2.gz IDSVNXFYAOHFEZ-UHFFFAOYSA-N -1 0 360.753 3.207 20 30 FGEDRM CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000826721700 602356356 /nfs/dbraw/zinc/35/63/56/602356356.db2.gz ATXAAMQQYPULHP-QGZVFWFLSA-N -1 0 356.353 3.438 20 30 FGEDRM CCCN(C(=S)Nc1ccc(C#N)c(Cl)c1)[C@H]1CCN(C(=O)[O-])C1 ZINC000739348670 602431510 /nfs/dbraw/zinc/43/15/10/602431510.db2.gz XWRWHQCFXVLRSN-ZDUSSCGKSA-N -1 0 366.874 3.373 20 30 FGEDRM Cc1cc(N2CC[C@H](CN(C)C(=O)[O-])C2)n2c3ccccc3nc2c1C#N ZINC000740076618 602434417 /nfs/dbraw/zinc/43/44/17/602434417.db2.gz AIWMWPLFIAKRHJ-CQSZACIVSA-N -1 0 363.421 3.104 20 30 FGEDRM N#Cc1ccc(Oc2cccc(NC(=O)[C@H]3CCCN3C(=O)[O-])c2)cc1 ZINC000740321307 602475757 /nfs/dbraw/zinc/47/57/57/602475757.db2.gz GDAHFARSUIISKX-QGZVFWFLSA-N -1 0 351.362 3.431 20 30 FGEDRM C=CCNC(=O)c1ccccc1NC(=O)c1ccc(F)c(NC(=O)[O-])c1 ZINC000738491840 602482277 /nfs/dbraw/zinc/48/22/77/602482277.db2.gz OEVKJUMRURUXLS-UHFFFAOYSA-N -1 0 357.341 3.084 20 30 FGEDRM C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc2c(c1)CCCN2C(=O)[O-] ZINC000739045842 602506889 /nfs/dbraw/zinc/50/68/89/602506889.db2.gz BQEHRWIDJONJKZ-ZDUSSCGKSA-N -1 0 365.389 3.395 20 30 FGEDRM Cc1cccc(NC(=O)[C@H](C#N)C(=O)c2ccc(F)c(NC(=O)[O-])c2)c1 ZINC000740170268 602566186 /nfs/dbraw/zinc/56/61/86/602566186.db2.gz ODAMFNVDZJXNSL-CYBMUJFWSA-N -1 0 355.325 3.185 20 30 FGEDRM C[C@H](Nc1ccc2c(c1)CN(C(=O)[O-])CC2)C(=O)Nc1cccc(C#N)c1 ZINC000739039031 602570444 /nfs/dbraw/zinc/57/04/44/602570444.db2.gz XGBDTAVMDGSLIP-ZDUSSCGKSA-N -1 0 364.405 3.033 20 30 FGEDRM CCN(CCNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1)C(=O)[O-] ZINC000739436219 602585646 /nfs/dbraw/zinc/58/56/46/602585646.db2.gz QFXWVUWEOKUWLY-SFHVURJKSA-N -1 0 366.421 3.463 20 30 FGEDRM C[C@@H](CNC(=O)[O-])N(C)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000738932096 602606630 /nfs/dbraw/zinc/60/66/30/602606630.db2.gz IOGZSXMHFGAYJT-ZDUSSCGKSA-N -1 0 368.393 3.470 20 30 FGEDRM C=CCN(Cc1ccccc1F)C(=O)[C@H](Cc1ccccc1)NC(=O)[O-] ZINC000738492063 602626013 /nfs/dbraw/zinc/62/60/13/602626013.db2.gz NTCLJHWFQCOEBG-SFHVURJKSA-N -1 0 356.397 3.219 20 30 FGEDRM C[C@H](C#N)CSc1ccccc1NC(=O)NCCCN(C)C(=O)[O-] ZINC000738600396 602655037 /nfs/dbraw/zinc/65/50/37/602655037.db2.gz IDNXNZZXDNUESK-GFCCVEGCSA-N -1 0 350.444 3.060 20 30 FGEDRM N#C[C@@H](C(=O)CC[C@H](NC(=O)[O-])c1ccccc1)C(=O)Nc1ccccc1 ZINC000740302769 602670167 /nfs/dbraw/zinc/67/01/67/602670167.db2.gz DCKUENMOMSLZGY-IRXDYDNUSA-N -1 0 365.389 3.123 20 30 FGEDRM Cc1cc([C@@H](C#N)C(=O)CC[C@H](NC(=O)[O-])c2ccccc2)nc(C)n1 ZINC000740058715 602670216 /nfs/dbraw/zinc/67/02/16/602670216.db2.gz CLUIDGOUWVCULC-CVEARBPZSA-N -1 0 352.394 3.059 20 30 FGEDRM N#Cc1ccc(CSCC(=O)Oc2cccc(CNC(=O)[O-])c2)cc1 ZINC000740316472 602730817 /nfs/dbraw/zinc/73/08/17/602730817.db2.gz YLXRFQVFLXNZQG-UHFFFAOYSA-N -1 0 356.403 3.165 20 30 FGEDRM Cc1ccc(C(=O)Nc2ncccc2OCCCC#N)cc1NC(=O)[O-] ZINC000830234558 602822225 /nfs/dbraw/zinc/82/22/25/602822225.db2.gz UBQNCHJNXOWKTR-UHFFFAOYSA-N -1 0 354.366 3.415 20 30 FGEDRM C#CCOc1cccc(NC(=O)[C@H](C)[C@H](NC(=O)[O-])c2ccccc2)c1 ZINC000823466438 602887857 /nfs/dbraw/zinc/88/78/57/602887857.db2.gz AJJJCUMKNHBHHD-KDOFPFPSSA-N -1 0 352.390 3.282 20 30 FGEDRM C#CCOc1ccc(NC(=O)[C@@H](C)[C@H](NC(=O)[O-])c2ccccc2)cc1 ZINC000823467203 602888782 /nfs/dbraw/zinc/88/87/82/602888782.db2.gz RISGWAKENZHHPL-KSSFIOAISA-N -1 0 352.390 3.282 20 30 FGEDRM N#Cc1ccccc1OCc1ccc(C(=O)OC[C@H]2CCCN2C(=O)[O-])o1 ZINC000740322895 602924255 /nfs/dbraw/zinc/92/42/55/602924255.db2.gz FSRQSCSNSATMTK-CQSZACIVSA-N -1 0 370.361 3.029 20 30 FGEDRM N#Cc1cccc(OCc2ccoc2C(=O)OC[C@@H]2CCCN2C(=O)[O-])c1 ZINC000740323395 602930296 /nfs/dbraw/zinc/93/02/96/602930296.db2.gz PCMCQLKRRADULP-HNNXBMFYSA-N -1 0 370.361 3.029 20 30 FGEDRM CC(C)(CC(=O)[C@@H](C#N)c1nc(-c2ccc(C#N)cc2)cs1)NC(=O)[O-] ZINC000738729579 603160311 /nfs/dbraw/zinc/16/03/11/603160311.db2.gz KLACTRLPDLPHHY-CYBMUJFWSA-N -1 0 368.418 3.294 20 30 FGEDRM N#Cc1ccc(F)c(CNC(=O)Nc2ccc3c(c2)CCN3C(=O)[O-])c1 ZINC000831131979 603301956 /nfs/dbraw/zinc/30/19/56/603301956.db2.gz IOTFHRJYGAGERN-UHFFFAOYSA-N -1 0 354.341 3.060 20 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603666629 /nfs/dbraw/zinc/66/66/29/603666629.db2.gz YXXQGNYPGKWJEP-UHFFFAOYSA-N -1 0 360.332 3.046 20 30 FGEDRM CC(C)(CNC(=O)c1ccccc1Sc1ccccc1C#N)NC(=O)[O-] ZINC000824002009 603672319 /nfs/dbraw/zinc/67/23/19/603672319.db2.gz RVLCPTNYXCITDP-UHFFFAOYSA-N -1 0 369.446 3.485 20 30 FGEDRM Cc1cc(C#N)ccc1Oc1ccc(C(=O)N(C)CCCNC(=O)[O-])cc1 ZINC000829903800 603679884 /nfs/dbraw/zinc/67/98/84/603679884.db2.gz BSOCZJJWQIHVNT-UHFFFAOYSA-N -1 0 367.405 3.389 20 30 FGEDRM N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)C1CCC(NC(=O)[O-])CC1 ZINC000831070315 603708483 /nfs/dbraw/zinc/70/84/83/603708483.db2.gz IVDPYHJXPNBJGN-HIEASXQVSA-N -1 0 355.438 3.111 20 30 FGEDRM O=C([O-])N1CCC(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000831869687 603856581 /nfs/dbraw/zinc/85/65/81/603856581.db2.gz RRVIHTNNBISQOL-UHFFFAOYSA-N -1 0 360.292 3.401 20 30 FGEDRM C[C@@H](NC(=O)[O-])[C@H]1CCCN(c2c(C#N)cnc3c(F)ccc(F)c32)C1 ZINC000825271773 604052701 /nfs/dbraw/zinc/05/27/01/604052701.db2.gz GWRNGXNUEZCHQM-MNOVXSKESA-N -1 0 360.364 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373.416 3.115 20 30 FGEDRM COCCCCc1cccnc1[N-]S(=O)(=O)c1ccc(C#N)c(C)c1 ZINC000292503946 498039762 /nfs/dbraw/zinc/03/97/62/498039762.db2.gz KAPVMYSBJOQICP-UHFFFAOYSA-N -1 0 359.451 3.032 20 30 FGEDRM CCN(CC)S(=O)(=O)c1ccc(-c2ccc(C#N)s2)c(C(=O)[O-])c1 ZINC000572498467 505983201 /nfs/dbraw/zinc/98/32/01/505983201.db2.gz TVARAVBBKKATPA-UHFFFAOYSA-N -1 0 364.448 3.015 20 30 FGEDRM CCc1cc(C#N)c([N-]S(=O)(=O)c2cn3c(n2)CCC[C@@H]3C)s1 ZINC000578631817 505985717 /nfs/dbraw/zinc/98/57/17/505985717.db2.gz CAAVHXGJNUTVKC-JTQLQIEISA-N -1 0 350.469 3.077 20 30 FGEDRM CSc1[n-]c(=O)c(C(=O)N2CC[C@@](C)(c3ccc(C)cc3)C2)cc1C#N ZINC000331327931 498302212 /nfs/dbraw/zinc/30/22/12/498302212.db2.gz GDKMSTDSDGZIFX-HXUWFJFHSA-N -1 0 367.474 3.493 20 30 FGEDRM CC(C)c1c([N-]S(=O)(=O)c2cccnc2C#N)cnn1-c1ccccc1 ZINC000365356884 498421796 /nfs/dbraw/zinc/42/17/96/498421796.db2.gz MHCMUIZBJIFVIX-UHFFFAOYSA-N -1 0 367.434 3.063 20 30 FGEDRM Cc1ccc(-c2cncc(F)c2)cc1[N-]S(=O)(=O)c1cncc(C#N)c1 ZINC000569979749 506061169 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3.100 20 30 FGEDRM N#CCc1ccnc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)c1 ZINC000570359529 506148799 /nfs/dbraw/zinc/14/87/99/506148799.db2.gz FANICPPDEYWEIT-UHFFFAOYSA-N -1 0 359.304 3.106 20 30 FGEDRM Cc1csc(C(C#N)=C([O-])c2cnc(OCc3ccccc3)cn2)n1 ZINC000429111679 500004879 /nfs/dbraw/zinc/00/48/79/500004879.db2.gz HJCRLFXUGYJTPO-AWEZNQCLSA-N -1 0 350.403 3.311 20 30 FGEDRM C[C@@H]1CCCc2nc(S(=O)(=O)[N-]c3ccc(C#N)cc3Cl)cn21 ZINC000416413044 500039728 /nfs/dbraw/zinc/03/97/28/500039728.db2.gz BQQPYCKZVGAYSG-SNVBAGLBSA-N -1 0 350.831 3.106 20 30 FGEDRM CSc1ccc(C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)cc1[N+](=O)[O-] ZINC000429571156 500105657 /nfs/dbraw/zinc/10/56/57/500105657.db2.gz WORZKUHLMDXUDP-NSHDSACASA-N -1 0 367.390 3.387 20 30 FGEDRM CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(C(=O)N(C)C2CCCCC2)cc1 ZINC000416935852 500161445 /nfs/dbraw/zinc/16/14/45/500161445.db2.gz GXPCTBNNKKRBCH-QGZVFWFLSA-N -1 0 363.483 3.135 20 30 FGEDRM CC[C@H](C#N)S(=O)(=O)[N-]c1ccccc1COc1ccc(CC#N)cc1 ZINC000416949109 500164307 /nfs/dbraw/zinc/16/43/07/500164307.db2.gz ZNEBTCOKRJVYMH-GOSISDBHSA-N -1 0 369.446 3.376 20 30 FGEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cc([N+](=O)[O-])c(C)cc2C)n1 ZINC000422124248 500216890 /nfs/dbraw/zinc/21/68/90/500216890.db2.gz UFDQIZZOHSTWEG-LBPRGKRZSA-N -1 0 373.390 3.335 20 30 FGEDRM COCCOc1ncccc1C([O-])=C(C#N)c1ncc(C(C)(C)C)s1 ZINC000430613738 500262102 /nfs/dbraw/zinc/26/21/02/500262102.db2.gz WNPRWXWBWGMKLA-CYBMUJFWSA-N -1 0 359.451 3.351 20 30 FGEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])c2cccc3c2OCC(=O)N3)s1 ZINC000430625987 500263321 /nfs/dbraw/zinc/26/33/21/500263321.db2.gz KKCUDXGDUWCZJS-NSHDSACASA-N -1 0 355.419 3.262 20 30 FGEDRM C=CCOc1ccc(CN[C@@H](C(=O)[O-])c2c(F)cccc2F)cc1OC ZINC000426727037 500311472 /nfs/dbraw/zinc/31/14/72/500311472.db2.gz MDTORHPQKDTXSJ-GOSISDBHSA-N -1 0 363.360 3.454 20 30 FGEDRM CCCN1Cc2cccc([N-]S(=O)(=O)c3ccc(C#N)c(F)c3)c2C1 ZINC000427199744 500365639 /nfs/dbraw/zinc/36/56/39/500365639.db2.gz LRJPXYIXMHPUMT-UHFFFAOYSA-N -1 0 359.426 3.224 20 30 FGEDRM N#CCC1(CNC(=O)N=c2[n-]nc(SCc3ccccc3)s2)CC1 ZINC000431433615 500377062 /nfs/dbraw/zinc/37/70/62/500377062.db2.gz VEHYRTRRYREHAW-UHFFFAOYSA-N -1 0 359.480 3.068 20 30 FGEDRM Cc1[n-][nH]c(=NC(=O)[C@H](C)Sc2cc(Cl)ccc2Cl)c1C#N ZINC000431690160 500409034 /nfs/dbraw/zinc/40/90/34/500409034.db2.gz JDZGZNPGPKGONV-QMMMGPOBSA-N -1 0 355.250 3.438 20 30 FGEDRM Cc1ncc(S(=O)(=O)[N-]c2ncc(Cc3ccccc3)s2)cc1C#N ZINC000427767715 500429734 /nfs/dbraw/zinc/42/97/34/500429734.db2.gz ZTPPLBJICULVGZ-UHFFFAOYSA-N -1 0 370.459 3.110 20 30 FGEDRM CCOC(=O)c1sc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)cc1C ZINC000427770875 500430173 /nfs/dbraw/zinc/43/01/73/500430173.db2.gz MHFJBEQCLHDOTI-UHFFFAOYSA-N -1 0 368.411 3.045 20 30 FGEDRM CC(C)(CCNC(=O)Nc1cccc(C#Cc2ccccn2)c1)C(=O)[O-] ZINC000424379673 500493812 /nfs/dbraw/zinc/49/38/12/500493812.db2.gz IQWPJQRTOKJFIT-UHFFFAOYSA-N -1 0 351.406 3.104 20 30 FGEDRM CCC(CC)(CNC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)C(=O)[O-] ZINC000424422772 500501563 /nfs/dbraw/zinc/50/15/63/500501563.db2.gz GMBAHGFMBJWWGV-UHFFFAOYSA-N -1 0 373.453 3.002 20 30 FGEDRM CCC(CC)(CNC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)C(=O)[O-] ZINC000424429615 500503848 /nfs/dbraw/zinc/50/38/48/500503848.db2.gz KGENSWCPIHKWKS-UHFFFAOYSA-N -1 0 373.453 3.002 20 30 FGEDRM CCC[C@@H](CCCCNS(=O)(=O)c1ccc(Cl)c(C#N)c1)C(=O)[O-] ZINC000582399278 506202436 /nfs/dbraw/zinc/20/24/36/506202436.db2.gz ITKMEUNABMZJNA-LBPRGKRZSA-N -1 0 372.874 3.161 20 30 FGEDRM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)c(O)c1 ZINC000432767050 500560153 /nfs/dbraw/zinc/56/01/53/500560153.db2.gz RKBWFDJYCUPTDN-UHFFFAOYSA-N -1 0 367.224 3.136 20 30 FGEDRM CC[C@H](C)CNC(=O)N=c1[n-]nc(SCc2ccc(C#N)cc2)s1 ZINC000421079641 500570282 /nfs/dbraw/zinc/57/02/82/500570282.db2.gz AAZJAEOJWJHBKC-NSHDSACASA-N -1 0 361.496 3.292 20 30 FGEDRM CCOC(=O)c1cnc(/C=C/c2ccc(C#N)c(OC)c2)c(C(=O)[O-])c1 ZINC000442322463 500581379 /nfs/dbraw/zinc/58/13/79/500581379.db2.gz JXAWIBSHXAKDBS-FNORWQNLSA-N -1 0 352.346 3.007 20 30 FGEDRM N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)c2ccc(F)cc2[O-])CC1 ZINC000437001607 500591558 /nfs/dbraw/zinc/59/15/58/500591558.db2.gz WFZNLHVVIKUXRG-KRWDZBQOSA-N -1 0 373.815 3.207 20 30 FGEDRM CCSc1n[n-]c(=NCc2cn(CCC#N)nc2-c2ccccc2)s1 ZINC000447961245 500697485 /nfs/dbraw/zinc/69/74/85/500697485.db2.gz GGTBGPDETFHRRF-UHFFFAOYSA-N -1 0 370.507 3.461 20 30 FGEDRM N#Cc1cc(S(=O)(=O)[N-]c2cccc3c2OCO3)ccc1C(F)(F)F ZINC000443404979 500719648 /nfs/dbraw/zinc/71/96/48/500719648.db2.gz HPQONFMCSJGGTK-UHFFFAOYSA-N -1 0 370.308 3.107 20 30 FGEDRM CC(C)c1csc(C(C#N)=C([O-])c2cnnn2-c2cccc(F)c2)n1 ZINC000434558151 500860351 /nfs/dbraw/zinc/86/03/51/500860351.db2.gz INBANORHVMHKMR-ZDUSSCGKSA-N -1 0 355.398 3.476 20 30 FGEDRM CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000439248098 500874697 /nfs/dbraw/zinc/87/46/97/500874697.db2.gz OMTWZZOOKYFOJE-UHFFFAOYSA-N -1 0 355.341 3.420 20 30 FGEDRM Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]c1ccc(Cl)cc1C#N ZINC000596040948 506223790 /nfs/dbraw/zinc/22/37/90/506223790.db2.gz 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