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)OCC(=O)c3c(N)n(C)c(=O)n(C)c3=O)cc2C1=O ZINC000003569412 1073595128 /nfs/dbraw/zinc/59/51/28/1073595128.db2.gz IYHNJVKIGYQLCL-UHFFFAOYSA-N 0 0 426.385 -0.512 20 30 IBEDRN COc1ccc(CC(=O)OCC(=O)NCCC#N)cc1S(=O)(=O)N1CCOCC1 ZINC000008853618 1074488814 /nfs/dbraw/zinc/48/88/14/1074488814.db2.gz PTWUNPACYKDYQV-UHFFFAOYSA-N 0 0 425.463 -0.168 20 30 IBEDRN C=CCNC(=O)NC(=O)COC(=O)[C@@H](NS(=O)(=O)c1ccc(C)c(C)c1)[C@@H](C)O ZINC000009084301 1074488867 /nfs/dbraw/zinc/48/88/67/1074488867.db2.gz IFUKRWMSLTYZQG-CJNGLKHVSA-N 0 0 427.479 -0.114 20 30 IBEDRN C=CCNC(=O)NC(=O)COC(=O)[C@H](NS(=O)(=O)c1ccc(C)c(C)c1)[C@@H](C)O ZINC000009084302 1074488807 /nfs/dbraw/zinc/48/88/07/1074488807.db2.gz IFUKRWMSLTYZQG-CZUORRHYSA-N 0 0 427.479 -0.114 20 30 IBEDRN C=CCNC(=O)NC(=O)COC(=O)[C@@H](NS(=O)(=O)c1ccc(C)c(C)c1)[C@H](C)O ZINC000009084303 1074488778 /nfs/dbraw/zinc/48/87/78/1074488778.db2.gz IFUKRWMSLTYZQG-BBRMVZONSA-N 0 0 427.479 -0.114 20 30 IBEDRN C=CCNC(=O)NC(=O)COC(=O)[C@H](NS(=O)(=O)c1ccc(C)c(C)c1)[C@H](C)O ZINC000009084304 1074488830 /nfs/dbraw/zinc/48/88/30/1074488830.db2.gz IFUKRWMSLTYZQG-XJKSGUPXSA-N 0 0 427.479 -0.114 20 30 IBEDRN C=CCNC(=O)NC(=O)COC(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000010069730 1074489258 /nfs/dbraw/zinc/48/92/58/1074489258.db2.gz DLEWCNWGBMILQW-UHFFFAOYSA-N 0 0 427.435 -0.319 20 30 IBEDRN C=CCN1C(=O)c2ccc(C(=O)N3CCN(C(=O)C(=O)N4CCOCC4)CC3)cc2C1=O ZINC000010204158 1071080282 /nfs/dbraw/zinc/08/02/82/1071080282.db2.gz VBEINDKZPJUGIE-UHFFFAOYSA-N 0 0 440.456 -0.388 20 30 IBEDRN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000010206122 1074489994 /nfs/dbraw/zinc/48/99/94/1074489994.db2.gz YYAFAINYFIWFGZ-UHFFFAOYSA-N 0 0 429.477 -0.674 20 30 IBEDRN C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(S(=O)(=O)N(CC)CC)CC2)cc1 ZINC000010374737 1074489800 /nfs/dbraw/zinc/48/98/00/1074489800.db2.gz QBIMTUWBIVXOSM-UHFFFAOYSA-N 0 0 442.563 -0.058 20 30 IBEDRN C=CCNC(=O)NC(=O)COC(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 ZINC000010473920 1074489953 /nfs/dbraw/zinc/48/99/53/1074489953.db2.gz RTBINCKEESWDJV-UHFFFAOYSA-N 0 0 441.462 -0.115 20 30 IBEDRN C=CCNC(=O)NC(=O)COC(=O)CNS(=O)(=O)c1ccc(N2CCCC2=O)cc1 ZINC000010689924 1074489729 /nfs/dbraw/zinc/48/97/29/1074489729.db2.gz SEQVPSZGCBTJMK-UHFFFAOYSA-N 0 0 438.462 -0.353 20 30 IBEDRN C=CCNC(=O)NC(=O)COC(=O)Cn1cc(S(=O)(=O)N(CC)CC)ccc1=O ZINC000010774953 1074489942 /nfs/dbraw/zinc/48/99/42/1074489942.db2.gz NSPVJMOCPCJJPP-UHFFFAOYSA-N 0 0 428.467 -0.566 20 30 IBEDRN C=CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)c1 ZINC000010792753 1074489772 /nfs/dbraw/zinc/48/97/72/1074489772.db2.gz CSCXNFNICMFCED-UHFFFAOYSA-N 0 0 436.446 -0.830 20 30 IBEDRN CCn1cc(C#N)c(=O)n(CC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)c1=O ZINC000010850314 1074489820 /nfs/dbraw/zinc/48/98/20/1074489820.db2.gz QMWSFDOOVHWMOY-UHFFFAOYSA-N 0 0 447.473 -0.439 20 30 IBEDRN CCn1cc(C#N)c(=O)n(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1=O ZINC000010850353 1074490005 /nfs/dbraw/zinc/49/00/05/1074490005.db2.gz XWYOJWJNKSOYNU-UHFFFAOYSA-N 0 0 447.473 -0.439 20 30 IBEDRN CCn1cc(C#N)c(=O)n(CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c1=O ZINC000010851655 1074489835 /nfs/dbraw/zinc/48/98/35/1074489835.db2.gz GDIFUIVMERFBEX-UHFFFAOYSA-N 0 0 431.474 -0.565 20 30 IBEDRN CCn1cc(C#N)c(=O)n(CC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)c1=O ZINC000010854881 1073200425 /nfs/dbraw/zinc/20/04/25/1073200425.db2.gz TYWRJGKHOSMPAR-UHFFFAOYSA-N 0 0 449.464 -0.426 20 30 IBEDRN CCn1cc(C#N)c(=O)n(CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)c1=O ZINC000010854934 1073200459 /nfs/dbraw/zinc/20/04/59/1073200459.db2.gz KWORUBNLRAWPGG-UHFFFAOYSA-N 0 0 445.501 -0.424 20 30 IBEDRN CCn1cc(C#N)c(=O)n(CC(=O)Nc2ccc(OC)c(S(=O)(=O)N(C)C)c2)c1=O ZINC000010855177 1073200454 /nfs/dbraw/zinc/20/04/54/1073200454.db2.gz XDZVINUILAKTDZ-UHFFFAOYSA-N 0 0 435.462 -0.201 20 30 IBEDRN CCn1cc(C#N)c(=O)n(CC(=O)NN2C(=O)N[C@](C)(c3ccc(OC)cc3)C2=O)c1=O ZINC000010855218 1074489893 /nfs/dbraw/zinc/48/98/93/1074489893.db2.gz KTEDBNWWQGYKTB-HXUWFJFHSA-N 0 0 440.416 -0.591 20 30 IBEDRN CCn1cc(C#N)c(=O)n(CC(=O)NN2C(=O)N[C@@](C)(c3ccc(OC)cc3)C2=O)c1=O ZINC000010855227 1074489786 /nfs/dbraw/zinc/48/97/86/1074489786.db2.gz KTEDBNWWQGYKTB-FQEVSTJZSA-N 0 0 440.416 -0.591 20 30 IBEDRN CCn1cc(C#N)c(=O)n(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1=O ZINC000010855296 1073200251 /nfs/dbraw/zinc/20/02/51/1073200251.db2.gz STSOSTZUVOCJMH-UHFFFAOYSA-N 0 0 449.464 -0.426 20 30 IBEDRN CCCCn1c(N)c(N(CC)C(=O)Cn2c(=O)c(C#N)cn(CC)c2=O)c(=O)[nH]c1=O ZINC000010855365 1074489982 /nfs/dbraw/zinc/48/99/82/1074489982.db2.gz HPBNNOBGTMNGAV-UHFFFAOYSA-N 0 0 431.453 -0.813 20 30 IBEDRN Cc1ccc(NC(=O)Cn2c(=O)c(C#N)cn(C)c2=O)cc1S(=O)(=O)N1CCOCC1 ZINC000011262503 1074493779 /nfs/dbraw/zinc/49/37/79/1074493779.db2.gz KPQFXFLPDHAYJT-UHFFFAOYSA-N 0 0 447.473 -0.613 20 30 IBEDRN CCOC(=O)c1c(C)c(C(=O)NC)sc1NC(=O)Cn1c(=O)c(C#N)cn(C)c1=O ZINC000011263388 1074493733 /nfs/dbraw/zinc/49/37/33/1074493733.db2.gz KSYSZHZBZYZNGG-UHFFFAOYSA-N 0 0 433.446 -0.036 20 30 IBEDRN Cn1cc(C#N)c(=O)n(CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)c1=O ZINC000011265142 1074493792 /nfs/dbraw/zinc/49/37/92/1074493792.db2.gz PIGUSUWFRDIVLO-UHFFFAOYSA-N 0 0 431.474 -0.907 20 30 IBEDRN Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3c(=O)c(C#N)cn(C)c3=O)CC2)cc1C ZINC000011265502 1074493697 /nfs/dbraw/zinc/49/36/97/1074493697.db2.gz ZHALZBBGWCYMCK-UHFFFAOYSA-N 0 0 445.501 -0.431 20 30 IBEDRN CN(C)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)Cn1c(=O)c(C#N)cn(C)c1=O ZINC000011265923 1074493820 /nfs/dbraw/zinc/49/38/20/1074493820.db2.gz MIEZUOYAGJWFCR-UHFFFAOYSA-N 0 0 431.474 -0.352 20 30 IBEDRN N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)OCC(=O)N3CCNC(=O)C3)CC2)cc1 ZINC000011387939 1074495982 /nfs/dbraw/zinc/49/59/82/1074495982.db2.gz VJKOVISMNKIRKC-UHFFFAOYSA-N 0 0 434.474 -0.539 20 30 IBEDRN Cn1cc(C#N)c(=O)n(CC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)c1=O ZINC000011457164 1074497027 /nfs/dbraw/zinc/49/70/27/1074497027.db2.gz KJTOASBUDJYOIK-UHFFFAOYSA-N 0 0 433.446 -0.922 20 30 IBEDRN Cn1cc(C#N)c(=O)n(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1=O ZINC000011457238 1074497071 /nfs/dbraw/zinc/49/70/71/1074497071.db2.gz KNTWHSFFLORKRI-UHFFFAOYSA-N 0 0 433.446 -0.922 20 30 IBEDRN CN(C)S(=O)(=O)c1cc(NC(=O)Cn2c(=O)c(C#N)cn(C)c2=O)ccc1Cl ZINC000011458026 1074497078 /nfs/dbraw/zinc/49/70/78/1074497078.db2.gz JCNDUQOUAUDBCT-UHFFFAOYSA-N 0 0 425.854 -0.039 20 30 IBEDRN Cn1cc(C#N)c(=O)n(CC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)c1=O ZINC000011460895 1074497629 /nfs/dbraw/zinc/49/76/29/1074497629.db2.gz FGTLKPBTZXLMQX-UHFFFAOYSA-N 0 0 435.437 -0.909 20 30 IBEDRN Cn1cc(C#N)c(=O)n(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1=O ZINC000011461228 1074497494 /nfs/dbraw/zinc/49/74/94/1074497494.db2.gz FUFPFMODBXNFAG-UHFFFAOYSA-N 0 0 435.437 -0.909 20 30 IBEDRN Cn1cc(C#N)c(=O)n(CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)c1=O ZINC000011461240 1074497534 /nfs/dbraw/zinc/49/75/34/1074497534.db2.gz DVMMPQUGWIBACW-UHFFFAOYSA-N 0 0 435.437 -0.909 20 30 IBEDRN N#CCCNC(=O)COC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000011675412 1074502848 /nfs/dbraw/zinc/50/28/48/1074502848.db2.gz LXSCZVOKLVLQRI-UHFFFAOYSA-N 0 0 436.490 -0.127 20 30 IBEDRN C#CCNC(=O)COC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C ZINC000012046377 1074506390 /nfs/dbraw/zinc/50/63/90/1074506390.db2.gz WJZNBEXEUCMWBP-UHFFFAOYSA-N 0 0 448.501 -0.181 20 30 IBEDRN Cn1ncc2c1ncn(CC(=O)N1CCN(S(=O)(=O)c3ccc(C#N)cc3)CC1)c2=O ZINC000012826475 1074508244 /nfs/dbraw/zinc/50/82/44/1074508244.db2.gz AKEYMEIJYHCMKH-UHFFFAOYSA-N 0 0 441.473 -0.465 20 30 IBEDRN Cn1c(N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)c(C#N)c(=O)n(C)c1=O ZINC000013104758 1071199240 /nfs/dbraw/zinc/19/92/40/1071199240.db2.gz CEYJRKAFEJJZJS-UHFFFAOYSA-N 0 0 447.473 -0.762 20 30 IBEDRN Cn1ncc2c1ncn(CC(=O)N1CCN(S(=O)(=O)c3ccccc3C#N)CC1)c2=O ZINC000014079808 1071347054 /nfs/dbraw/zinc/34/70/54/1071347054.db2.gz LHXMRDLPSXOUEC-UHFFFAOYSA-N 0 0 441.473 -0.465 20 30 IBEDRN COCCCN(C(=O)Cn1cnc(C#N)n1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000014143553 1071055262 /nfs/dbraw/zinc/05/52/62/1071055262.db2.gz QISNRQBRXCWCEG-UHFFFAOYSA-N 0 0 438.448 -0.300 20 30 IBEDRN Cn1c2nc(C(C)(C)C)nc(Sc3c(C#N)c(=O)n(C)c(=O)n3C)c2c(=O)n(C)c1=O ZINC000014259935 1071063038 /nfs/dbraw/zinc/06/30/38/1071063038.db2.gz XVOWIQLIFDNZNE-UHFFFAOYSA-N 0 0 443.489 -0.255 20 30 IBEDRN Cn1c(NCc2ccccc2CS(=O)(=O)N2CCOCC2)c(C#N)c(=O)n(C)c1=O ZINC000014279869 1071063497 /nfs/dbraw/zinc/06/34/97/1071063497.db2.gz GWXGJHHTUJPHGW-UHFFFAOYSA-N 0 0 433.490 -0.270 20 30 IBEDRN C=CCN(CC=C)C(=O)CN1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000015034777 1071379214 /nfs/dbraw/zinc/37/92/14/1071379214.db2.gz PBOMEVHVAKEQKL-UHFFFAOYSA-N 0 0 442.563 -0.159 20 30 IBEDRN C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000015036864 1071379086 /nfs/dbraw/zinc/37/90/86/1071379086.db2.gz XVISSPWEOSJRPJ-GDBMZVCRSA-N 0 0 440.547 -0.444 20 30 IBEDRN C[C@@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000015036866 1071378880 /nfs/dbraw/zinc/37/88/80/1071378880.db2.gz XVISSPWEOSJRPJ-GOEBONIOSA-N 0 0 440.547 -0.444 20 30 IBEDRN C[C@H](C(=O)N[C@H]1CCS(=O)(=O)C1)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000015036869 1071379018 /nfs/dbraw/zinc/37/90/18/1071379018.db2.gz XVISSPWEOSJRPJ-ZBFHGGJFSA-N 0 0 440.547 -0.444 20 30 IBEDRN C[C@@H](C(=O)N[C@H]1CCS(=O)(=O)C1)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000015036871 1071135441 /nfs/dbraw/zinc/13/54/41/1071135441.db2.gz XVISSPWEOSJRPJ-HOCLYGCPSA-N 0 0 440.547 -0.444 20 30 IBEDRN CS(=O)(=O)N1CCN(CC(=O)Nc2cccc(S(=O)(=O)N=C3CCCN3)c2)CC1 ZINC000015401296 1071515637 /nfs/dbraw/zinc/51/56/37/1071515637.db2.gz MTBOCGVITCXUDQ-UHFFFAOYSA-N 0 0 443.551 -0.327 20 30 IBEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(CC(=O)NCCCN2CCCC2=O)CC1 ZINC000015445387 1071523860 /nfs/dbraw/zinc/52/38/60/1071523860.db2.gz RZJDAYFCJGDLDJ-UHFFFAOYSA-N 0 0 433.534 -0.007 20 30 IBEDRN C#CCNC(=O)CN(C)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000015448777 1071523831 /nfs/dbraw/zinc/52/38/31/1071523831.db2.gz WWUYJYLRAXKYJW-UHFFFAOYSA-N 0 0 442.925 -0.019 20 30 IBEDRN N#Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NCCCN3CCCC3=O)CC2)cc1 ZINC000015545178 1071591727 /nfs/dbraw/zinc/59/17/27/1071591727.db2.gz KITQAWOTYSQSCZ-UHFFFAOYSA-N 0 0 433.534 -0.007 20 30 IBEDRN N#Cc1ccc(S(=O)(=O)NCC(=O)NCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1 ZINC000015601832 1071646277 /nfs/dbraw/zinc/64/62/77/1071646277.db2.gz LEMLLCSWKFCLQJ-UHFFFAOYSA-N 0 0 428.430 -0.239 20 30 IBEDRN Cn1c2ncn(CC(=O)N3CCN([C@@H](C#N)c4ccc(F)cc4)CC3)c2c(=O)n(C)c1=O ZINC000016152168 1071678289 /nfs/dbraw/zinc/67/82/89/1071678289.db2.gz FJLWFRNQWACVTP-INIZCTEOSA-N 0 0 439.451 -0.018 20 30 IBEDRN Cn1c2ncn(CC(=O)N3CCN([C@H](C#N)c4ccc(F)cc4)CC3)c2c(=O)n(C)c1=O ZINC000016152170 1071678310 /nfs/dbraw/zinc/67/83/10/1071678310.db2.gz FJLWFRNQWACVTP-MRXNPFEDSA-N 0 0 439.451 -0.018 20 30 IBEDRN Cn1cnc2c1c(=O)n(CC(=O)N1CCN([C@@H](C#N)c3ccc(F)cc3)CC1)c(=O)n2C ZINC000016171928 1071679901 /nfs/dbraw/zinc/67/99/01/1071679901.db2.gz NLRWMPZPMPHMSJ-INIZCTEOSA-N 0 0 439.451 -0.018 20 30 IBEDRN Cn1cnc2c1c(=O)n(CC(=O)N1CCN([C@H](C#N)c3ccc(F)cc3)CC1)c(=O)n2C ZINC000016171929 1071679974 /nfs/dbraw/zinc/67/99/74/1071679974.db2.gz NLRWMPZPMPHMSJ-MRXNPFEDSA-N 0 0 439.451 -0.018 20 30 IBEDRN C#CCNS(=O)(=O)c1cccc(C(=O)O[C@H](C)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000016559364 1071708218 /nfs/dbraw/zinc/70/82/18/1071708218.db2.gz OMGQNXQENVWUGZ-UKRRQHHQSA-N 0 0 442.515 -0.211 20 30 IBEDRN C#CCNS(=O)(=O)c1cccc(C(=O)O[C@@H](C)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000016559366 1071708207 /nfs/dbraw/zinc/70/82/07/1071708207.db2.gz OMGQNXQENVWUGZ-DZGCQCFKSA-N 0 0 442.515 -0.211 20 30 IBEDRN C#CCNS(=O)(=O)c1cccc(C(=O)O[C@H](C)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)c1 ZINC000016559368 1071708190 /nfs/dbraw/zinc/70/81/90/1071708190.db2.gz OMGQNXQENVWUGZ-HIFRSBDPSA-N 0 0 442.515 -0.211 20 30 IBEDRN C#CCNS(=O)(=O)c1cccc(C(=O)O[C@@H](C)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)c1 ZINC000016559370 1071708098 /nfs/dbraw/zinc/70/80/98/1071708098.db2.gz OMGQNXQENVWUGZ-ZFWWWQNUSA-N 0 0 442.515 -0.211 20 30 IBEDRN C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)cc1 ZINC000018154671 1072137318 /nfs/dbraw/zinc/13/73/18/1072137318.db2.gz PRAINWPNEZUOEB-UHFFFAOYSA-N 0 0 436.534 -0.233 20 30 IBEDRN C=CCNS(=O)(=O)c1ccc(C(=O)O[C@H](C)C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000018447001 1072236182 /nfs/dbraw/zinc/23/61/82/1072236182.db2.gz RIUAAZMQPTZORC-TZMCWYRMSA-N 0 0 430.504 -0.001 20 30 IBEDRN C=CCNS(=O)(=O)c1ccc(C(=O)O[C@@H](C)C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000018447004 1072236167 /nfs/dbraw/zinc/23/61/67/1072236167.db2.gz RIUAAZMQPTZORC-GXTWGEPZSA-N 0 0 430.504 -0.001 20 30 IBEDRN C=CCNS(=O)(=O)c1ccc(C(=O)O[C@H](C)C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 ZINC000018447007 1072236156 /nfs/dbraw/zinc/23/61/56/1072236156.db2.gz RIUAAZMQPTZORC-OCCSQVGLSA-N 0 0 430.504 -0.001 20 30 IBEDRN C=CCNS(=O)(=O)c1ccc(C(=O)O[C@@H](C)C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 ZINC000018447010 1072236586 /nfs/dbraw/zinc/23/65/86/1072236586.db2.gz RIUAAZMQPTZORC-JSGCOSHPSA-N 0 0 430.504 -0.001 20 30 IBEDRN C#CCNC(=O)COC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000018529958 1072240160 /nfs/dbraw/zinc/24/01/60/1072240160.db2.gz JFCMVBDIAABMHM-UHFFFAOYSA-N 0 0 435.502 -0.099 20 30 IBEDRN Cn1c(=O)c(C#N)c(N2CCN(S(=O)(=O)c3cccc4nsnc43)CC2)n(C)c1=O ZINC000019101659 1072284249 /nfs/dbraw/zinc/28/42/49/1072284249.db2.gz JSFYIIYEDMHPRM-UHFFFAOYSA-N 0 0 447.502 -0.529 20 30 IBEDRN C=CCNC(=O)NC(=O)COC(=O)C1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1 ZINC000020959671 1072630114 /nfs/dbraw/zinc/63/01/14/1072630114.db2.gz WFQFXSWEABJIGQ-UHFFFAOYSA-N 0 0 427.483 -0.018 20 30 IBEDRN Cn1cc(S(N)(=O)=O)cc1C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000021321757 1072665729 /nfs/dbraw/zinc/66/57/29/1072665729.db2.gz QSLQXLUPTGESMH-UHFFFAOYSA-N 0 0 437.503 -0.309 20 30 IBEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CCOc2ccc(S(=O)(=O)N(C)C)cc2)c1=O ZINC000021977946 1073373167 /nfs/dbraw/zinc/37/31/67/1073373167.db2.gz CBYIIZWLYJTBRP-UHFFFAOYSA-N 0 0 436.490 -0.127 20 30 IBEDRN COc1ccc(Nc2c(C#N)c(=O)n(C)c(=O)n2C)cc1S(=O)(=O)N1CCOCC1 ZINC000022001990 1072717132 /nfs/dbraw/zinc/71/71/32/1072717132.db2.gz QETCFCINIPFQKC-UHFFFAOYSA-N 0 0 435.462 -0.271 20 30 IBEDRN C=CCNC(=O)CN1CCN(CC(=O)NN2C(=O)N[C@@](CC)(c3ccccc3)C2=O)CC1 ZINC000022013798 1072719557 /nfs/dbraw/zinc/71/95/57/1072719557.db2.gz NEINUSCQYPSIEH-QFIPXVFZSA-N 0 0 442.520 -0.205 20 30 IBEDRN C=CCNC(=O)CN1CCN(CC(=O)NN2C(=O)N[C@](CC)(c3ccccc3)C2=O)CC1 ZINC000022013800 1072720000 /nfs/dbraw/zinc/72/00/00/1072720000.db2.gz NEINUSCQYPSIEH-JOCHJYFZSA-N 0 0 442.520 -0.205 20 30 IBEDRN CCOC(=O)C1=C(COC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)NC(=O)N[C@@H]1C ZINC000022878224 1072801549 /nfs/dbraw/zinc/80/15/49/1072801549.db2.gz NKENPAUOXRJVEO-LLVKDONJSA-N 0 0 436.446 -0.102 20 30 IBEDRN CCOC(=O)C1=C(COC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)NC(=O)N[C@H]1C ZINC000022878230 1072801292 /nfs/dbraw/zinc/80/12/92/1072801292.db2.gz NKENPAUOXRJVEO-NSHDSACASA-N 0 0 436.446 -0.102 20 30 IBEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(CC(=O)Nc3ccccc3)CC2)c1=O ZINC000023614549 1070878575 /nfs/dbraw/zinc/87/85/75/1070878575.db2.gz QXTIPMPXMCJTHE-UHFFFAOYSA-N 0 0 440.504 -0.243 20 30 IBEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(c3ncnc4c3cnn4C)CC2)c1=O ZINC000023616395 1070878737 /nfs/dbraw/zinc/87/87/37/1070878737.db2.gz QSYRCLOYXBHALP-UHFFFAOYSA-N 0 0 439.480 -1.000 20 30 IBEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(S(=O)(=O)c3ccccc3)CC2)c1=O ZINC000023840494 1070976396 /nfs/dbraw/zinc/97/63/96/1070976396.db2.gz NIDFTUYWGFLQGI-UHFFFAOYSA-N 0 0 447.517 -0.492 20 30 IBEDRN C=CCNC(=O)NC(=O)CN1CCN(S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000023860914 1070984654 /nfs/dbraw/zinc/98/46/54/1070984654.db2.gz ZRXBWXFBJPKLNV-UHFFFAOYSA-N 0 0 441.466 -0.079 20 30 IBEDRN C=CCNC(=O)CN1CCN(S(=O)(=O)c2cccc(S(=O)(=O)N(C)C)c2)CC1 ZINC000024381084 1071316553 /nfs/dbraw/zinc/31/65/53/1071316553.db2.gz NDRPZRHCNZJMHY-UHFFFAOYSA-N 0 0 430.552 -0.455 20 30 IBEDRN C=CCNC(=O)CN1CCN(S(=O)(=O)c2cc(C(=O)OC)cc(C(=O)OC)c2)CC1 ZINC000024709767 1071441501 /nfs/dbraw/zinc/44/15/01/1071441501.db2.gz MYHWOZOKNZCLFX-UHFFFAOYSA-N 0 0 439.490 -0.132 20 30 IBEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Cn2nc3ccccn3c2=O)CC1 ZINC000024859962 1071548150 /nfs/dbraw/zinc/54/81/50/1071548150.db2.gz TUWCSMSNINXVMA-UHFFFAOYSA-N 0 0 426.458 -0.099 20 30 IBEDRN N#Cc1ncn(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)n1 ZINC000025002917 1071475640 /nfs/dbraw/zinc/47/56/40/1071475640.db2.gz ALUURQWQOBWSKW-UHFFFAOYSA-N 0 0 432.462 -0.156 20 30 IBEDRN COC(=O)C[C@H]1C(=O)NCCN1C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000025024601 1072157635 /nfs/dbraw/zinc/15/76/35/1072157635.db2.gz BTDIBYXJOBJCPQ-KRWDZBQOSA-N 0 0 448.501 -0.151 20 30 IBEDRN COC(=O)C[C@@H]1C(=O)NCCN1C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000025024604 1072157585 /nfs/dbraw/zinc/15/75/85/1072157585.db2.gz BTDIBYXJOBJCPQ-QGZVFWFLSA-N 0 0 448.501 -0.151 20 30 IBEDRN C[C@H](C(=O)N(C)CC(=O)NC1CC1)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000025180465 1072318020 /nfs/dbraw/zinc/31/80/20/1072318020.db2.gz FXPBQWKSMOUOQN-OAHLLOKOSA-N 0 0 433.534 -0.010 20 30 IBEDRN C[C@@H](C(=O)N(C)CC(=O)NC1CC1)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000025180474 1072317957 /nfs/dbraw/zinc/31/79/57/1072317957.db2.gz FXPBQWKSMOUOQN-HNNXBMFYSA-N 0 0 433.534 -0.010 20 30 IBEDRN CN(C)S(=O)(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 ZINC000025209862 1072500647 /nfs/dbraw/zinc/50/06/47/1072500647.db2.gz AXIXMSYUONHHKP-UHFFFAOYSA-N 0 0 429.524 -0.557 20 30 IBEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)N(C)CC(=O)Nc2ccc(C)cc2)c1=O ZINC000025521742 1072540252 /nfs/dbraw/zinc/54/02/52/1072540252.db2.gz GFMHTQSLZNWTMW-UHFFFAOYSA-N 0 0 427.461 -0.051 20 30 IBEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)NCC(=O)Nc2cc(C)ccc2OC)c1=O ZINC000025522054 1072540375 /nfs/dbraw/zinc/54/03/75/1072540375.db2.gz ODHYFKVOMZVGNF-UHFFFAOYSA-N 0 0 443.460 -0.384 20 30 IBEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)c1=O ZINC000025522095 1072899677 /nfs/dbraw/zinc/89/96/77/1072899677.db2.gz QMEDJLMDEVSUBN-UHFFFAOYSA-N 0 0 425.401 -0.592 20 30 IBEDRN Cn1c2[nH]c(CN3CCN(S(=O)(=O)c4ccccc4C#N)CC3)nc2c(=O)n(C)c1=O ZINC000025918736 1072604729 /nfs/dbraw/zinc/60/47/29/1072604729.db2.gz FDOYIOMNXLOEMB-UHFFFAOYSA-N 0 0 443.489 -0.662 20 30 IBEDRN Cn1c2[nH]c(CN3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)nc2c(=O)n(C)c1=O ZINC000025929430 1072604609 /nfs/dbraw/zinc/60/46/09/1072604609.db2.gz DBOCIBTXFZBMFX-UHFFFAOYSA-N 0 0 443.489 -0.662 20 30 IBEDRN Cn1cc(/C=C/C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c(=O)n(C)c1=O ZINC000025969905 1072606929 /nfs/dbraw/zinc/60/69/29/1072606929.db2.gz QYYNVBDOEONWQS-VMPITWQZSA-N 0 0 443.485 -0.498 20 30 IBEDRN Cn1cnc2c1c(=O)n(CC(=O)N1CCN(c3cccc(F)c3C#N)CC1)c(=O)n2C ZINC000026016164 1072616565 /nfs/dbraw/zinc/61/65/65/1072616565.db2.gz BROCMEWWGIIXJZ-UHFFFAOYSA-N 0 0 425.424 -0.207 20 30 IBEDRN Cn1cc(S(N)(=O)=O)cc1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000026160103 1072861067 /nfs/dbraw/zinc/86/10/67/1072861067.db2.gz WLOHSKZZELFBGB-UHFFFAOYSA-N 0 0 437.503 -0.309 20 30 IBEDRN C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000026350760 1072957146 /nfs/dbraw/zinc/95/71/46/1072957146.db2.gz IKFWZLBVSTYVKT-NVXWUHKLSA-N 0 0 433.534 -0.023 20 30 IBEDRN C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000026350763 1072957040 /nfs/dbraw/zinc/95/70/40/1072957040.db2.gz IKFWZLBVSTYVKT-DOTOQJQBSA-N 0 0 433.534 -0.023 20 30 IBEDRN C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000026350766 1072957140 /nfs/dbraw/zinc/95/71/40/1072957140.db2.gz IKFWZLBVSTYVKT-WBVHZDCISA-N 0 0 433.534 -0.023 20 30 IBEDRN C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000026350768 1072957129 /nfs/dbraw/zinc/95/71/29/1072957129.db2.gz IKFWZLBVSTYVKT-RDJZCZTQSA-N 0 0 433.534 -0.023 20 30 IBEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)Nc2ccccc2SCC(N)=O)c1=O ZINC000026559055 1073506480 /nfs/dbraw/zinc/50/64/80/1073506480.db2.gz VBRAOLDNEMJNNM-UHFFFAOYSA-N 0 0 431.474 -0.240 20 30 IBEDRN Cn1c(NCc2ccc(S(=O)(=O)N3CCOCC3)s2)c(C#N)c(=O)n(C)c1=O ZINC000026723774 1073519887 /nfs/dbraw/zinc/51/98/87/1073519887.db2.gz HFOVOVJXYNXIPK-UHFFFAOYSA-N 0 0 425.492 -0.350 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 ZINC000027165480 1073543784 /nfs/dbraw/zinc/54/37/84/1073543784.db2.gz WEUVJQFPOQQPMT-UHFFFAOYSA-N 0 0 436.534 -0.233 20 30 IBEDRN C=CCNC(=O)NC(=O)CN(Cc1ccccc1)c1c(N)n(CCOC)c(=O)[nH]c1=O ZINC000027274264 1073547993 /nfs/dbraw/zinc/54/79/93/1073547993.db2.gz IFVFUGSFPADOFY-UHFFFAOYSA-N 0 0 430.465 -0.216 20 30 IBEDRN CC(=O)N1CCN(C(=O)[C@@H](C)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 ZINC000027506903 1073557047 /nfs/dbraw/zinc/55/70/47/1073557047.db2.gz HXVDRTRGTATMCN-MRXNPFEDSA-N 0 0 433.534 -0.056 20 30 IBEDRN CC(=O)N1CCN(C(=O)[C@H](C)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 ZINC000027506907 1073557622 /nfs/dbraw/zinc/55/76/22/1073557622.db2.gz HXVDRTRGTATMCN-INIZCTEOSA-N 0 0 433.534 -0.056 20 30 IBEDRN C[C@H](C(=O)N1CCC(C(N)=O)CC1)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000027507142 1073557667 /nfs/dbraw/zinc/55/76/67/1073557667.db2.gz PDPRTEYDNVIOCC-OAHLLOKOSA-N 0 0 433.534 -0.023 20 30 IBEDRN C[C@@H](C(=O)N1CCC(C(N)=O)CC1)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000027507146 1073557816 /nfs/dbraw/zinc/55/78/16/1073557816.db2.gz PDPRTEYDNVIOCC-HNNXBMFYSA-N 0 0 433.534 -0.023 20 30 IBEDRN C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000027507255 1073557699 /nfs/dbraw/zinc/55/76/99/1073557699.db2.gz GNFNPUYLBYZSEX-NVXWUHKLSA-N 0 0 433.534 -0.023 20 30 IBEDRN C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000027507259 1071349275 /nfs/dbraw/zinc/34/92/75/1071349275.db2.gz GNFNPUYLBYZSEX-DOTOQJQBSA-N 0 0 433.534 -0.023 20 30 IBEDRN C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000027507264 1073557678 /nfs/dbraw/zinc/55/76/78/1073557678.db2.gz GNFNPUYLBYZSEX-WBVHZDCISA-N 0 0 433.534 -0.023 20 30 IBEDRN C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000027507269 1073557803 /nfs/dbraw/zinc/55/78/03/1073557803.db2.gz GNFNPUYLBYZSEX-RDJZCZTQSA-N 0 0 433.534 -0.023 20 30 IBEDRN C=CCNC(=O)CN1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 ZINC000027559193 1073561970 /nfs/dbraw/zinc/56/19/70/1073561970.db2.gz SYBLTRUPWFUNLX-UHFFFAOYSA-N 0 0 449.577 -0.561 20 30 IBEDRN C=CCNC(=O)CN1CCN(CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@H]2C)CC1 ZINC000027560325 1073562029 /nfs/dbraw/zinc/56/20/29/1073562029.db2.gz CHPMEALENLXJTM-OAHLLOKOSA-N 0 0 435.550 -0.469 20 30 IBEDRN C=CCNC(=O)CN1CCN(CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@@H]2C)CC1 ZINC000027560327 1073561896 /nfs/dbraw/zinc/56/18/96/1073561896.db2.gz CHPMEALENLXJTM-HNNXBMFYSA-N 0 0 435.550 -0.469 20 30 IBEDRN CC(=O)N1CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 ZINC000027565187 1073562437 /nfs/dbraw/zinc/56/24/37/1073562437.db2.gz RQDSTQAYXYRNPK-UHFFFAOYSA-N 0 0 433.534 -0.055 20 30 IBEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)NCC(=O)Nc2ccc(F)c(F)c2)c1=O ZINC000027580994 1073563698 /nfs/dbraw/zinc/56/36/98/1073563698.db2.gz GRXQGPWKGYKQEN-UHFFFAOYSA-N 0 0 435.387 -0.423 20 30 IBEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)NCC(=O)Nc2ccccc2CC)c1=O ZINC000027580999 1073563590 /nfs/dbraw/zinc/56/35/90/1073563590.db2.gz GHFUWFVUIYEXPJ-UHFFFAOYSA-N 0 0 427.461 -0.139 20 30 IBEDRN C=CCNC(=O)CN1CCN(CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)CC1 ZINC000027901164 1073573179 /nfs/dbraw/zinc/57/31/79/1073573179.db2.gz XQAXIPNASYCZRN-UHFFFAOYSA-N 0 0 443.548 -0.305 20 30 IBEDRN C=CCNC(=O)CN1CCN([C@H](C)C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000027902993 1073573717 /nfs/dbraw/zinc/57/37/17/1073573717.db2.gz WSKREMQXHCIJIG-HZPDHXFCSA-N 0 0 437.566 -0.181 20 30 IBEDRN C=CCNC(=O)CN1CCN([C@H](C)C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000027903000 1073573746 /nfs/dbraw/zinc/57/37/46/1073573746.db2.gz WSKREMQXHCIJIG-JKSUJKDBSA-N 0 0 437.566 -0.181 20 30 IBEDRN C=CCNC(=O)CN1CCN([C@@H](C)C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000027903007 1073573645 /nfs/dbraw/zinc/57/36/45/1073573645.db2.gz WSKREMQXHCIJIG-CVEARBPZSA-N 0 0 437.566 -0.181 20 30 IBEDRN C=CCNC(=O)CN1CCN([C@@H](C)C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000027903014 1073573600 /nfs/dbraw/zinc/57/36/00/1073573600.db2.gz WSKREMQXHCIJIG-HOTGVXAUSA-N 0 0 437.566 -0.181 20 30 IBEDRN C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)cc1 ZINC000028007125 1073578489 /nfs/dbraw/zinc/57/84/89/1073578489.db2.gz DCUXETNKBIYPCK-UHFFFAOYSA-N 0 0 434.518 -0.785 20 30 IBEDRN C[C@](C#N)(NC(=O)CN(CCO)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O)C1CC1 ZINC000028270259 1073584647 /nfs/dbraw/zinc/58/46/47/1073584647.db2.gz UPVATWGMZJZIGF-OAQYLSRUSA-N 0 0 426.477 -0.226 20 30 IBEDRN C[C@@](C#N)(NC(=O)CN(CCO)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O)C1CC1 ZINC000028270262 1073584560 /nfs/dbraw/zinc/58/45/60/1073584560.db2.gz UPVATWGMZJZIGF-NRFANRHFSA-N 0 0 426.477 -0.226 20 30 IBEDRN CNC(=O)CN1CCC(NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 ZINC000028422547 1073586935 /nfs/dbraw/zinc/58/69/35/1073586935.db2.gz VXOHRNXCQWMMHJ-UHFFFAOYSA-N 0 0 448.549 -0.215 20 30 IBEDRN CNC(=O)CN1CCC(NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 ZINC000028422655 1073587080 /nfs/dbraw/zinc/58/70/80/1073587080.db2.gz KYZXCSCMJMDTDW-UHFFFAOYSA-N 0 0 448.549 -0.215 20 30 IBEDRN CCn1cc(C#N)c(=O)n(CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)c1=O ZINC000028665017 1073597367 /nfs/dbraw/zinc/59/73/67/1073597367.db2.gz OTROUJGXEGYZPM-UHFFFAOYSA-N 0 0 425.445 -0.310 20 30 IBEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(CC(=O)Nc3cc(C)on3)CC2)c1=O ZINC000028747960 1073600617 /nfs/dbraw/zinc/60/06/17/1073600617.db2.gz WYHXDPYZUOPXKJ-UHFFFAOYSA-N 0 0 445.480 -0.946 20 30 IBEDRN C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)c1 ZINC000029088940 1073620971 /nfs/dbraw/zinc/62/09/71/1073620971.db2.gz HAGLUPCNGDTLDU-UHFFFAOYSA-N 0 0 436.534 -0.233 20 30 IBEDRN CN(CC(=O)N1CCN(C(=O)CN2CCOCC2)CC1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000029089841 1073621063 /nfs/dbraw/zinc/62/10/63/1073621063.db2.gz LNHKPNISGIYAHX-UHFFFAOYSA-N 0 0 449.533 -0.818 20 30 IBEDRN C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000029244354 1073638915 /nfs/dbraw/zinc/63/89/15/1073638915.db2.gz VENDHUMELOMZJN-LLVKDONJSA-N 0 0 427.465 -0.203 20 30 IBEDRN C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000029244363 1073638798 /nfs/dbraw/zinc/63/87/98/1073638798.db2.gz VENDHUMELOMZJN-NSHDSACASA-N 0 0 427.465 -0.203 20 30 IBEDRN CN(C)C(=O)CN1CCN(C(=O)CN2CCN(c3oc(C4CC4)nc3C#N)CC2)CC1 ZINC000029248611 1073638893 /nfs/dbraw/zinc/63/88/93/1073638893.db2.gz SPWRRWBUCIJKNQ-UHFFFAOYSA-N 0 0 429.525 -0.222 20 30 IBEDRN COCCn1c(N)c(C(=O)CN2CCN(c3oc(C4CC4)nc3C#N)CC2)c(=O)[nH]c1=O ZINC000029250693 1073638934 /nfs/dbraw/zinc/63/89/34/1073638934.db2.gz HZUGSODBWFMPPC-UHFFFAOYSA-N 0 0 443.464 -0.493 20 30 IBEDRN N#Cc1ccnc(N2CCN(CC(=O)N3CCN([C@@H]4CCS(=O)(=O)C4)CC3)CC2)c1 ZINC000029446503 1073654151 /nfs/dbraw/zinc/65/41/51/1073654151.db2.gz JCHJHJCPENVFKI-GOSISDBHSA-N 0 0 432.550 -0.593 20 30 IBEDRN N#Cc1ccnc(N2CCN(CC(=O)N3CCN([C@H]4CCS(=O)(=O)C4)CC3)CC2)c1 ZINC000029446508 1073654116 /nfs/dbraw/zinc/65/41/16/1073654116.db2.gz JCHJHJCPENVFKI-SFHVURJKSA-N 0 0 432.550 -0.593 20 30 IBEDRN C=CCn1c(=O)n(CC=C)c(=O)n(Cc2nnc3n2c2ccccc2c(=O)n3CC)c1=O ZINC000029494947 1073657569 /nfs/dbraw/zinc/65/75/69/1073657569.db2.gz QAIZEZCKKLSJGO-UHFFFAOYSA-N 0 0 435.444 -0.031 20 30 IBEDRN N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)cc1 ZINC000029605591 1073662590 /nfs/dbraw/zinc/66/25/90/1073662590.db2.gz SKXGLEAYYXNKLL-UHFFFAOYSA-N 0 0 449.533 -0.505 20 30 IBEDRN C=CCn1c2nnc(SCC(=O)NCCNS(C)(=O)=O)n2c2ccccc2c1=O ZINC000029683646 1073666737 /nfs/dbraw/zinc/66/67/37/1073666737.db2.gz GQSDXUIFFYELCR-UHFFFAOYSA-N 0 0 436.519 -0.012 20 30 IBEDRN Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN(CC(=O)N4CCCC4)CC3)CC2)o1 ZINC000029704074 1073668012 /nfs/dbraw/zinc/66/80/12/1073668012.db2.gz CLMYNFLDVNKEOD-UHFFFAOYSA-N 0 0 429.525 -0.257 20 30 IBEDRN Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN([C@H](C)C(=O)NC4CC4)CC3)CC2)o1 ZINC000029711925 1073667928 /nfs/dbraw/zinc/66/79/28/1073667928.db2.gz AEFYLAIYWGKZQK-OAHLLOKOSA-N 0 0 429.525 -0.212 20 30 IBEDRN Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN([C@@H](C)C(=O)NC4CC4)CC3)CC2)o1 ZINC000029711927 1073667961 /nfs/dbraw/zinc/66/79/61/1073667961.db2.gz AEFYLAIYWGKZQK-HNNXBMFYSA-N 0 0 429.525 -0.212 20 30 IBEDRN N#Cc1ccnc(N2CCN(C(=O)Cn3c4ccc(S(N)(=O)=O)cc4oc3=O)CC2)c1 ZINC000029788596 1073674445 /nfs/dbraw/zinc/67/44/45/1073674445.db2.gz JDMYIBWYYIAQCS-UHFFFAOYSA-N 0 0 442.457 -0.143 20 30 IBEDRN COCCn1c(N)c(C(=O)CN2CCN(c3cccc(F)c3C#N)CC2)c(=O)[nH]c1=O ZINC000029858864 1072486251 /nfs/dbraw/zinc/48/62/51/1072486251.db2.gz MYVDCBZKQZOMJZ-UHFFFAOYSA-N 0 0 430.440 -0.219 20 30 IBEDRN CN(C)C(=O)N1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 ZINC000029925794 1072582995 /nfs/dbraw/zinc/58/29/95/1072582995.db2.gz YEDHEPZCFSYLSE-UHFFFAOYSA-N 0 0 448.549 -0.310 20 30 IBEDRN C=CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)CC1 ZINC000029970800 1072584633 /nfs/dbraw/zinc/58/46/33/1072584633.db2.gz CHTZIZWOFBOPPI-UHFFFAOYSA-N 0 0 442.563 -0.264 20 30 IBEDRN C=CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(C(=O)N3CCOCC3)cc2)CC1 ZINC000030327824 1072589873 /nfs/dbraw/zinc/58/98/73/1072589873.db2.gz LVDCMSIAYVRKJR-UHFFFAOYSA-N 0 0 436.534 -0.233 20 30 IBEDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)CC1 ZINC000030613523 1072592608 /nfs/dbraw/zinc/59/26/08/1072592608.db2.gz CNOOEDLBTUHNAN-UHFFFAOYSA-N 0 0 448.461 -0.317 20 30 IBEDRN Cn1c(N2CCN(S(=O)(=O)c3ccc(F)c(F)c3F)CC2)c(C#N)c(=O)n(C)c1=O ZINC000030623198 1072592708 /nfs/dbraw/zinc/59/27/08/1072592708.db2.gz DDMZNLJFRLKGOB-UHFFFAOYSA-N 0 0 443.407 -0.116 20 30 IBEDRN Cn1c(=O)c(C#N)c(N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)n(C)c1=O ZINC000030763827 1072595713 /nfs/dbraw/zinc/59/57/13/1072595713.db2.gz SLGFWYZYHZRMEN-UHFFFAOYSA-N 0 0 429.502 -0.045 20 30 IBEDRN CN(CC(=O)N1CCCC1)CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000031086001 1072601874 /nfs/dbraw/zinc/60/18/74/1072601874.db2.gz UJEUCGUXUNZYFJ-UHFFFAOYSA-N 0 0 433.534 -0.055 20 30 IBEDRN CC(=O)N1CCN(C(=O)[C@@H](C)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 ZINC000031295817 1072605778 /nfs/dbraw/zinc/60/57/78/1072605778.db2.gz XCKKRKOBGJJWNF-MRXNPFEDSA-N 0 0 433.534 -0.056 20 30 IBEDRN CC(=O)N1CCN(C(=O)[C@H](C)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 ZINC000031295819 1072605846 /nfs/dbraw/zinc/60/58/46/1072605846.db2.gz XCKKRKOBGJJWNF-INIZCTEOSA-N 0 0 433.534 -0.056 20 30 IBEDRN C[C@H](C(=O)N1CCC(C(N)=O)CC1)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000031295974 1072606418 /nfs/dbraw/zinc/60/64/18/1072606418.db2.gz BUKGVVXIKVKRGV-OAHLLOKOSA-N 0 0 433.534 -0.023 20 30 IBEDRN C[C@@H](C(=O)N1CCC(C(N)=O)CC1)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000031295976 1072606468 /nfs/dbraw/zinc/60/64/68/1072606468.db2.gz BUKGVVXIKVKRGV-HNNXBMFYSA-N 0 0 433.534 -0.023 20 30 IBEDRN C[C@H](C(=O)N(C)CC(=O)NC1CC1)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000031296064 1072606450 /nfs/dbraw/zinc/60/64/50/1072606450.db2.gz CCDQDDQIOHYYFJ-OAHLLOKOSA-N 0 0 433.534 -0.010 20 30 IBEDRN C[C@@H](C(=O)N(C)CC(=O)NC1CC1)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000031296066 1072606412 /nfs/dbraw/zinc/60/64/12/1072606412.db2.gz CCDQDDQIOHYYFJ-HNNXBMFYSA-N 0 0 433.534 -0.010 20 30 IBEDRN Cn1c2ncn(CC(=O)N3CCN(c4cccc(F)c4C#N)CC3)c2c(=O)n(C)c1=O ZINC000031402838 1072608307 /nfs/dbraw/zinc/60/83/07/1072608307.db2.gz UKEAIVZMPWNCSA-UHFFFAOYSA-N 0 0 425.424 -0.207 20 30 IBEDRN Cn1cc(S(=O)(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)c(=O)n(C)c1=O ZINC000031584188 1072613264 /nfs/dbraw/zinc/61/32/64/1072613264.db2.gz FCIVVBPZVIRMQP-UHFFFAOYSA-N 0 0 443.489 -0.365 20 30 IBEDRN COC(=O)c1cc(C#N)c(=O)n(CC(=O)c2c(N)n(Cc3ccccc3)c(=O)n(C)c2=O)c1 ZINC000031805386 1072625005 /nfs/dbraw/zinc/62/50/05/1072625005.db2.gz BCXKNRAUIXXGKF-UHFFFAOYSA-N 0 0 449.423 -0.120 20 30 IBEDRN COC(=O)c1cc(C#N)c(=O)n(CC(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000031806334 1072625182 /nfs/dbraw/zinc/62/51/82/1072625182.db2.gz RZNIJRAWWHBJLR-CVEARBPZSA-N 0 0 437.474 -0.299 20 30 IBEDRN COC(=O)c1cc(C#N)c(=O)n(CC(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000031806338 1072625055 /nfs/dbraw/zinc/62/50/55/1072625055.db2.gz RZNIJRAWWHBJLR-HZPDHXFCSA-N 0 0 437.474 -0.299 20 30 IBEDRN COC(=O)c1cc(C#N)c(=O)n(CC(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)c1 ZINC000031806343 1072624988 /nfs/dbraw/zinc/62/49/88/1072624988.db2.gz RZNIJRAWWHBJLR-HOTGVXAUSA-N 0 0 437.474 -0.299 20 30 IBEDRN COC(=O)c1cc(C#N)c(=O)n(CC(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)c1 ZINC000031806347 1072625613 /nfs/dbraw/zinc/62/56/13/1072625613.db2.gz RZNIJRAWWHBJLR-JKSUJKDBSA-N 0 0 437.474 -0.299 20 30 IBEDRN Cc1nc(C#N)c(N2CCN(C(=O)Cn3cc(S(=O)(=O)N(C)C)ccc3=O)CC2)o1 ZINC000031917346 1072635643 /nfs/dbraw/zinc/63/56/43/1072635643.db2.gz ABGQRXQVTLGCLD-UHFFFAOYSA-N 0 0 434.478 -0.385 20 30 IBEDRN CN(CC(=O)N1CCN(CC(=O)N2CCCC2)CC1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000032240388 1072675451 /nfs/dbraw/zinc/67/54/51/1072675451.db2.gz DWRYXCAINYRMPQ-UHFFFAOYSA-N 0 0 433.534 -0.055 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)CC1 ZINC000032275066 1072680782 /nfs/dbraw/zinc/68/07/82/1072680782.db2.gz VGWWHZUUXYKPEK-UHFFFAOYSA-N 0 0 425.511 -0.904 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)CC1 ZINC000032464369 1072700940 /nfs/dbraw/zinc/70/09/40/1072700940.db2.gz CCVFZOQIDUUNKE-UHFFFAOYSA-N 0 0 425.489 -0.495 20 30 IBEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C2CCN(S(N)(=O)=O)CC2)CC1 ZINC000032684220 1072726156 /nfs/dbraw/zinc/72/61/56/1072726156.db2.gz PRSKUIYUZSBTIO-UHFFFAOYSA-N 0 0 441.535 -0.693 20 30 IBEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C3CCN(S(N)(=O)=O)CC3)CC2)cc1 ZINC000032766830 1072732248 /nfs/dbraw/zinc/73/22/48/1072732248.db2.gz CYSQKMYBUWVZPL-UHFFFAOYSA-N 0 0 441.535 -0.693 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CC1 ZINC000032826745 1072734801 /nfs/dbraw/zinc/73/48/01/1072734801.db2.gz GNLRMAYYNUCOMB-UHFFFAOYSA-N 0 0 436.534 -0.233 20 30 IBEDRN C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)cc1 ZINC000036646510 1074118316 /nfs/dbraw/zinc/11/83/16/1074118316.db2.gz ZSDOAWOHBUYOGQ-UHFFFAOYSA-N 0 0 436.534 -0.233 20 30 IBEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)c1=O ZINC000045399164 1072198328 /nfs/dbraw/zinc/19/83/28/1072198328.db2.gz FTIWULSMQGUHMB-UHFFFAOYSA-N 0 0 443.416 -0.337 20 30 IBEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCN(C(=O)C3CC3)CC2)CC1 ZINC000046560813 1072261490 /nfs/dbraw/zinc/26/14/90/1072261490.db2.gz DVEWFXGHQCLOPE-UHFFFAOYSA-N 0 0 445.545 -0.055 20 30 IBEDRN Cn1c(N)c(C(=O)CN2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c(=O)n(C)c1=O ZINC000046584323 1072263110 /nfs/dbraw/zinc/26/31/10/1072263110.db2.gz YREQUMUVEDXEAO-UHFFFAOYSA-N 0 0 439.432 -0.209 20 30 IBEDRN C=CCn1c(=O)n(CC=C)c(=O)n(Cc2nnc3n2c2ccsc2c(=O)n3C)c1=O ZINC000046876069 1071384190 /nfs/dbraw/zinc/38/41/90/1071384190.db2.gz FCMWTZNXXJXHMV-UHFFFAOYSA-N 0 0 427.446 -0.452 20 30 IBEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)c2ccc(CCNS(C)(=O)=O)cc2)c1=O ZINC000057694884 1072219502 /nfs/dbraw/zinc/21/95/02/1072219502.db2.gz RJSTZUMWYQUHCS-UHFFFAOYSA-N 0 0 448.501 -0.482 20 30 IBEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)N(CC(C)C)[C@@H]2CCS(=O)(=O)C2)c1=O ZINC000057934467 1072225399 /nfs/dbraw/zinc/22/53/99/1072225399.db2.gz HWZLVIOKDSRMMU-OAHLLOKOSA-N 0 0 440.522 -0.785 20 30 IBEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)c1=O ZINC000057934470 1072225377 /nfs/dbraw/zinc/22/53/77/1072225377.db2.gz HWZLVIOKDSRMMU-HNNXBMFYSA-N 0 0 440.522 -0.785 20 30 IBEDRN C=CCNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 ZINC000057937513 1072225536 /nfs/dbraw/zinc/22/55/36/1072225536.db2.gz KXFFJMFSPLIRRI-UHFFFAOYSA-N 0 0 438.506 -0.215 20 30 IBEDRN N#Cc1ccc(OC[C@H](O)CN2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)cc1 ZINC000059374460 1072266980 /nfs/dbraw/zinc/26/69/80/1072266980.db2.gz GUFIEPPUNQXQFY-OAHLLOKOSA-N 0 0 434.474 -0.004 20 30 IBEDRN N#Cc1ccc(OC[C@@H](O)CN2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)cc1 ZINC000059374461 1072266931 /nfs/dbraw/zinc/26/69/31/1072266931.db2.gz GUFIEPPUNQXQFY-HNNXBMFYSA-N 0 0 434.474 -0.004 20 30 IBEDRN Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000060635004 1072281883 /nfs/dbraw/zinc/28/18/83/1072281883.db2.gz WQIYAMOWKXRYKP-UHFFFAOYSA-N 0 0 434.522 -0.558 20 30 IBEDRN CN(CC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000060847765 1072287794 /nfs/dbraw/zinc/28/77/94/1072287794.db2.gz JFMVGWRKLWGSIZ-UHFFFAOYSA-N 0 0 433.490 -0.872 20 30 IBEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)N2CCN(C(=O)c3ccco3)CC2)c1=O ZINC000060891978 1072289704 /nfs/dbraw/zinc/28/97/04/1072289704.db2.gz KFNLEJIEDFWPFE-UHFFFAOYSA-N 0 0 429.433 -0.879 20 30 IBEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCCN3CCCS3(=O)=O)CC2)cc1 ZINC000061039602 1072290811 /nfs/dbraw/zinc/29/08/11/1072290811.db2.gz HTHQYAKBWNFKSU-UHFFFAOYSA-N 0 0 441.535 -0.390 20 30 IBEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCCN2CCCS2(=O)=O)CC1 ZINC000061039788 1072290711 /nfs/dbraw/zinc/29/07/11/1072290711.db2.gz YZCKGZYMZQCCGL-UHFFFAOYSA-N 0 0 441.535 -0.390 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1=O ZINC000061348460 1072306387 /nfs/dbraw/zinc/30/63/87/1072306387.db2.gz PLLIBSLWQYHSQE-UHFFFAOYSA-N 0 0 445.457 -0.632 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)C1=O ZINC000061348464 1072306465 /nfs/dbraw/zinc/30/64/65/1072306465.db2.gz NUCRGQBWXFINAX-UHFFFAOYSA-N 0 0 434.474 -0.363 20 30 IBEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCNS(=O)(=O)CC)cc1 ZINC000062197162 1072350293 /nfs/dbraw/zinc/35/02/93/1072350293.db2.gz CFYZCINRTQKAQM-UHFFFAOYSA-N 0 0 432.524 -0.513 20 30 IBEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCCNS(C)(=O)=O)cc1 ZINC000062204956 1072350256 /nfs/dbraw/zinc/35/02/56/1072350256.db2.gz FOHLRDXONCYMKV-UHFFFAOYSA-N 0 0 432.524 -0.513 20 30 IBEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)N2CCN(Cc3cccs3)CC2)c1=O ZINC000064025903 1072407604 /nfs/dbraw/zinc/40/76/04/1072407604.db2.gz IWDVASUJUPVNGD-UHFFFAOYSA-N 0 0 431.518 -0.050 20 30 IBEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCN2CCCS2(=O)=O)cc1 ZINC000064297196 1072963448 /nfs/dbraw/zinc/96/34/48/1072963448.db2.gz ZFDNPUNOTFMBOX-UHFFFAOYSA-N 0 0 444.535 -0.417 20 30 IBEDRN COc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000064767692 1072986077 /nfs/dbraw/zinc/98/60/77/1072986077.db2.gz SQUYWQYDBOPVQN-UHFFFAOYSA-N 0 0 429.433 -0.965 20 30 IBEDRN COc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000064769228 1072986518 /nfs/dbraw/zinc/98/65/18/1072986518.db2.gz KTWHHWOXOVRIGN-UHFFFAOYSA-N 0 0 437.478 -0.773 20 30 IBEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCCNS(=O)(=O)CC)cc1 ZINC000065401740 1073569701 /nfs/dbraw/zinc/56/97/01/1073569701.db2.gz LVBGJROYYSUXJW-UHFFFAOYSA-N 0 0 446.551 -0.123 20 30 IBEDRN C=CCn1c(=O)n(CC=C)c(=O)n(Cc2nc3c(c(=O)[nH]c(=O)n3CCCC)n2C)c1=O ZINC000105032790 1072632499 /nfs/dbraw/zinc/63/24/99/1072632499.db2.gz IEWIFYTYBCWYPJ-UHFFFAOYSA-N 0 0 443.464 -0.871 20 30 IBEDRN C=CCNC(=O)CN1CCN(CC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000105312743 1073589737 /nfs/dbraw/zinc/58/97/37/1073589737.db2.gz ASCVKHYWLHECEJ-GOSISDBHSA-N 0 0 426.583 -0.136 20 30 IBEDRN C=CCNC(=O)CN1CCN(CC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000105312747 1073589776 /nfs/dbraw/zinc/58/97/76/1073589776.db2.gz ASCVKHYWLHECEJ-SFHVURJKSA-N 0 0 426.583 -0.136 20 30 IBEDRN C=CCNC(=O)NC(=O)CN(CCOC)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000105654158 1073000909 /nfs/dbraw/zinc/00/09/09/1073000909.db2.gz ZNFLUJRKCXELEL-UHFFFAOYSA-N 0 0 430.465 -0.368 20 30 IBEDRN CN(CC(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C)S(=O)(=O)c1ccc(C#N)cc1 ZINC000105696049 1073994904 /nfs/dbraw/zinc/99/49/04/1073994904.db2.gz ZJUSHBHAZAXFFT-UHFFFAOYSA-N 0 0 442.457 -0.237 20 30 IBEDRN Cn1c2c(nc(Br)n2Cc2cc(=O)n3ncc(C#N)c3[nH]2)c(=O)n(C)c1=O ZINC000107758517 1073138319 /nfs/dbraw/zinc/13/83/19/1073138319.db2.gz UUNKCEPPPZDFHU-UHFFFAOYSA-N 0 0 431.210 -0.136 20 30 IBEDRN N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)cc1 ZINC000108035460 1073006563 /nfs/dbraw/zinc/00/65/63/1073006563.db2.gz JHEDWRHGOKSCGX-UHFFFAOYSA-N 0 0 447.517 -0.215 20 30 IBEDRN N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000108036145 1071481389 /nfs/dbraw/zinc/48/13/89/1071481389.db2.gz WPGMDOAYWWIDDW-OAHLLOKOSA-N 0 0 433.533 -0.619 20 30 IBEDRN N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000108036149 1071481372 /nfs/dbraw/zinc/48/13/72/1071481372.db2.gz WPGMDOAYWWIDDW-HNNXBMFYSA-N 0 0 433.533 -0.619 20 30 IBEDRN C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000108419527 1073142522 /nfs/dbraw/zinc/14/25/22/1073142522.db2.gz DDJOZYFYIKNSFS-CQSZACIVSA-N 0 0 432.545 -0.062 20 30 IBEDRN C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000108419530 1072012221 /nfs/dbraw/zinc/01/22/21/1072012221.db2.gz DDJOZYFYIKNSFS-AWEZNQCLSA-N 0 0 432.545 -0.062 20 30 IBEDRN C[C@@H]1CN(S(=O)(=O)N2CCN(CC(=O)N(CCC#N)CCC#N)CC2)C[C@H](C)O1 ZINC000108811168 1073015943 /nfs/dbraw/zinc/01/59/43/1073015943.db2.gz VAILGGSNOFICDD-CALCHBBNSA-N 0 0 426.543 -0.386 20 30 IBEDRN C[C@H]1CN(S(=O)(=O)N2CCN(CC(=O)N(CCC#N)CCC#N)CC2)C[C@H](C)O1 ZINC000108811171 1073015811 /nfs/dbraw/zinc/01/58/11/1073015811.db2.gz VAILGGSNOFICDD-IRXDYDNUSA-N 0 0 426.543 -0.386 20 30 IBEDRN C[C@@H]1CN(S(=O)(=O)N2CCN(CC(=O)N(CCC#N)CCC#N)CC2)C[C@@H](C)O1 ZINC000108811173 1073015794 /nfs/dbraw/zinc/01/57/94/1073015794.db2.gz VAILGGSNOFICDD-IAGOWNOFSA-N 0 0 426.543 -0.386 20 30 IBEDRN N#CCCNS(=O)(=O)c1ccc(C(=O)NCCS(=O)(=O)N2CCOCC2)cc1 ZINC000109627562 1074417906 /nfs/dbraw/zinc/41/79/06/1074417906.db2.gz SEKVTYJLITWWIK-UHFFFAOYSA-N 0 0 430.508 -0.730 20 30 IBEDRN C=CCNC(=O)NC(=O)COC(=O)C1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 ZINC000109711367 1074419796 /nfs/dbraw/zinc/41/97/96/1074419796.db2.gz QSTFQQZXUROEGI-UHFFFAOYSA-N 0 0 427.483 -0.316 20 30 IBEDRN CN(CC(=O)NCC1CCN(S(C)(=O)=O)CC1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000109757796 1073149927 /nfs/dbraw/zinc/14/99/27/1073149927.db2.gz SKVGUULLHRANFV-UHFFFAOYSA-N 0 0 428.536 -0.033 20 30 IBEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2C(=O)NC3(CCC3)C2=O)CC1 ZINC000110088275 1073151582 /nfs/dbraw/zinc/15/15/82/1073151582.db2.gz MBXJQCQWIZTILH-UHFFFAOYSA-N 0 0 431.474 -0.134 20 30 IBEDRN C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)C(=O)N2CCS(=O)(=O)CC2)cc1 ZINC000111015777 1073156378 /nfs/dbraw/zinc/15/63/78/1073156378.db2.gz LGLSIPJTKPTURU-ZDUSSCGKSA-N 0 0 429.520 -0.474 20 30 IBEDRN C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C)C(=O)N2CCS(=O)(=O)CC2)cc1 ZINC000111015779 1073156477 /nfs/dbraw/zinc/15/64/77/1073156477.db2.gz LGLSIPJTKPTURU-CYBMUJFWSA-N 0 0 429.520 -0.474 20 30 IBEDRN C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)C(=O)N2CCS(=O)(=O)CC2)c1 ZINC000111016311 1073156901 /nfs/dbraw/zinc/15/69/01/1073156901.db2.gz MNTGZNOKMZRLTB-ZDUSSCGKSA-N 0 0 429.520 -0.474 20 30 IBEDRN C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C)C(=O)N2CCS(=O)(=O)CC2)c1 ZINC000111016314 1073156876 /nfs/dbraw/zinc/15/68/76/1073156876.db2.gz MNTGZNOKMZRLTB-CYBMUJFWSA-N 0 0 429.520 -0.474 20 30 IBEDRN CC(C)[C@@H]1C(=O)NCCN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000111040467 1073157348 /nfs/dbraw/zinc/15/73/48/1073157348.db2.gz HIJRGIKBEOJOMC-LJQANCHMSA-N 0 0 433.534 -0.152 20 30 IBEDRN CC(C)[C@H]1C(=O)NCCN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000111040471 1073157428 /nfs/dbraw/zinc/15/74/28/1073157428.db2.gz HIJRGIKBEOJOMC-IBGZPJMESA-N 0 0 433.534 -0.152 20 30 IBEDRN C#CCN(CC(=O)NN1C(=O)N[C@@](C)(c2ccc(OC)cc2)C1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000111046816 1074424169 /nfs/dbraw/zinc/42/41/69/1074424169.db2.gz SJXNPTCQJLUCCI-QRWLVFNGSA-N 0 0 448.501 -0.384 20 30 IBEDRN C#CCN(CC(=O)NN1C(=O)N[C@](C)(c2ccc(OC)cc2)C1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000111046819 1074424185 /nfs/dbraw/zinc/42/41/85/1074424185.db2.gz SJXNPTCQJLUCCI-FOIQADDNSA-N 0 0 448.501 -0.384 20 30 IBEDRN C#CCN(CC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@H]1C)[C@@H]1CCS(=O)(=O)C1 ZINC000111047151 1074424190 /nfs/dbraw/zinc/42/41/90/1074424190.db2.gz WNGNENCBRVWHOA-UKRRQHHQSA-N 0 0 425.532 -0.266 20 30 IBEDRN C#CCN(CC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 ZINC000111047154 1074424147 /nfs/dbraw/zinc/42/41/47/1074424147.db2.gz WNGNENCBRVWHOA-DZGCQCFKSA-N 0 0 425.532 -0.266 20 30 IBEDRN C#CCN(CC(=O)N(CC)c1c(N)n(CCCC)c(=O)[nH]c1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000111048370 1074424290 /nfs/dbraw/zinc/42/42/90/1074424290.db2.gz ULAHPWIMSAWNJT-CQSZACIVSA-N 0 0 439.538 -0.606 20 30 IBEDRN C#CCN(CC(=O)N(CC)c1c(N)n(CCCC)c(=O)[nH]c1=O)[C@H]1CCS(=O)(=O)C1 ZINC000111048373 1074424271 /nfs/dbraw/zinc/42/42/71/1074424271.db2.gz ULAHPWIMSAWNJT-AWEZNQCLSA-N 0 0 439.538 -0.606 20 30 IBEDRN C#CCN(CC(=O)NN1C(=O)N[C@@](CC)(c2ccccc2)C1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000111191230 1074425434 /nfs/dbraw/zinc/42/54/34/1074425434.db2.gz NXLRDOCENZVYQE-UZLBHIALSA-N 0 0 432.502 -0.003 20 30 IBEDRN C#CCN(CC(=O)NN1C(=O)N[C@](CC)(c2ccccc2)C1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000111191232 1074425551 /nfs/dbraw/zinc/42/55/51/1074425551.db2.gz NXLRDOCENZVYQE-OXQOHEQNSA-N 0 0 432.502 -0.003 20 30 IBEDRN C#CCN(CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000111191335 1074425530 /nfs/dbraw/zinc/42/55/30/1074425530.db2.gz IWAKDAVDYKVLGQ-OAHLLOKOSA-N 0 0 431.522 -0.866 20 30 IBEDRN C#CCN(CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000111191337 1074425554 /nfs/dbraw/zinc/42/55/54/1074425554.db2.gz IWAKDAVDYKVLGQ-HNNXBMFYSA-N 0 0 431.522 -0.866 20 30 IBEDRN C#CCN(CC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(C)c1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000111192284 1074425499 /nfs/dbraw/zinc/42/54/99/1074425499.db2.gz ZNHCQCROQUTFAG-MRXNPFEDSA-N 0 0 444.513 -0.518 20 30 IBEDRN C#CCN(CC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(C)c1=O)[C@H]1CCS(=O)(=O)C1 ZINC000111192286 1074425386 /nfs/dbraw/zinc/42/53/86/1074425386.db2.gz ZNHCQCROQUTFAG-INIZCTEOSA-N 0 0 444.513 -0.518 20 30 IBEDRN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000115835163 1072656133 /nfs/dbraw/zinc/65/61/33/1072656133.db2.gz IWIBWQFWVVFJNC-UHFFFAOYSA-N 0 0 433.538 -0.156 20 30 IBEDRN C=CCNS(=O)(=O)c1ccc(C(=O)NCCN2CCN(S(C)(=O)=O)CC2)cc1 ZINC000115835408 1072634773 /nfs/dbraw/zinc/63/47/73/1072634773.db2.gz MVMMJBBMFMOYED-UHFFFAOYSA-N 0 0 430.552 -0.542 20 30 IBEDRN C=CCNC(=O)c1cccc(S(=O)(=O)NCCN2CCN(S(C)(=O)=O)CC2)c1 ZINC000116077088 1073207846 /nfs/dbraw/zinc/20/78/46/1073207846.db2.gz SZDBIUHLMILZOQ-UHFFFAOYSA-N 0 0 430.552 -0.542 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N[C@@H](C)COC)cc2)C1=O ZINC000116294226 1072542437 /nfs/dbraw/zinc/54/24/37/1072542437.db2.gz JDHPFQPPMGEFDL-LBPRGKRZSA-N 0 0 438.462 -0.085 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N[C@H](C)COC)cc2)C1=O ZINC000116294230 1072542459 /nfs/dbraw/zinc/54/24/59/1072542459.db2.gz JDHPFQPPMGEFDL-GFCCVEGCSA-N 0 0 438.462 -0.085 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)C1=O ZINC000116310687 1072656525 /nfs/dbraw/zinc/65/65/25/1072656525.db2.gz XFWGGFFYSWOEKA-HNNXBMFYSA-N 0 0 427.461 -0.019 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)C1=O ZINC000116310691 1072656628 /nfs/dbraw/zinc/65/66/28/1072656628.db2.gz XFWGGFFYSWOEKA-OAHLLOKOSA-N 0 0 427.461 -0.019 20 30 IBEDRN Cn1c2ncc(S(=O)(=O)N3CCN(Cc4ccc(C#N)cc4)CC3)cc2c(=O)[nH]c1=O ZINC000116755683 1072657183 /nfs/dbraw/zinc/65/71/83/1072657183.db2.gz CPYSMNKIOVLROR-UHFFFAOYSA-N 0 0 440.485 0.000 20 30 IBEDRN Cn1c2ncc(S(=O)(=O)N3CCN(c4cc(C#N)ccn4)CC3)cc2c(=O)[nH]c1=O ZINC000116792738 1072657262 /nfs/dbraw/zinc/65/72/62/1072657262.db2.gz ASGLCQWFKAHCPH-UHFFFAOYSA-N 0 0 427.446 -0.601 20 30 IBEDRN C#CCN(CC(=O)NN1C(=O)N[C@@](CC)(c2ccccc2)C1=O)[C@H]1CCS(=O)(=O)C1 ZINC000251262325 1072640618 /nfs/dbraw/zinc/64/06/18/1072640618.db2.gz NXLRDOCENZVYQE-JXFKEZNVSA-N 0 0 432.502 -0.003 20 30 IBEDRN C#CCN(CC(=O)NN1C(=O)N[C@](CC)(c2ccccc2)C1=O)[C@H]1CCS(=O)(=O)C1 ZINC000251262333 1072290078 /nfs/dbraw/zinc/29/00/78/1072290078.db2.gz NXLRDOCENZVYQE-OXJNMPFZSA-N 0 0 432.502 -0.003 20 30 IBEDRN C#CCN(CC(=O)NN1C(=O)N[C@](C)(c2ccc(OC)cc2)C1=O)[C@H]1CCS(=O)(=O)C1 ZINC000251284191 1072289984 /nfs/dbraw/zinc/28/99/84/1072289984.db2.gz SJXNPTCQJLUCCI-MGPUTAFESA-N 0 0 448.501 -0.384 20 30 IBEDRN C#CCN(CC(=O)NN1C(=O)N[C@@](C)(c2ccc(OC)cc2)C1=O)[C@H]1CCS(=O)(=O)C1 ZINC000251284202 1072290057 /nfs/dbraw/zinc/29/00/57/1072290057.db2.gz SJXNPTCQJLUCCI-YWZLYKJASA-N 0 0 448.501 -0.384 20 30 IBEDRN C#CCN(CC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@H]1C)[C@H]1CCS(=O)(=O)C1 ZINC000251902597 1072646707 /nfs/dbraw/zinc/64/67/07/1072646707.db2.gz WNGNENCBRVWHOA-HIFRSBDPSA-N 0 0 425.532 -0.266 20 30 IBEDRN C#CCN(CC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@@H]1C)[C@H]1CCS(=O)(=O)C1 ZINC000251902600 1072646681 /nfs/dbraw/zinc/64/66/81/1072646681.db2.gz WNGNENCBRVWHOA-ZFWWWQNUSA-N 0 0 425.532 -0.266 20 30 IBEDRN C[C@H](C(=O)N1CCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1)n1cnc(C#N)n1 ZINC000409459401 1074490349 /nfs/dbraw/zinc/49/03/49/1074490349.db2.gz MLVWDJGPHWASAQ-LLVKDONJSA-N 0 0 430.450 -0.174 20 30 IBEDRN C[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1)n1cnc(C#N)n1 ZINC000409459402 1074491097 /nfs/dbraw/zinc/49/10/97/1074491097.db2.gz MLVWDJGPHWASAQ-NSHDSACASA-N 0 0 430.450 -0.174 20 30 IBEDRN C[C@@H](C#N)CN(C)S(=O)(=O)NC[C@@H]1CCCN(S(=O)(=O)N(C)C[C@@H](C)C#N)C1 ZINC000409473201 1074491107 /nfs/dbraw/zinc/49/11/07/1074491107.db2.gz BEKKTFHLGDRLPF-JYJNAYRXSA-N 0 0 434.588 -0.039 20 30 IBEDRN C[C@H](C#N)CN(C)S(=O)(=O)NC[C@@H]1CCCN(S(=O)(=O)N(C)C[C@H](C)C#N)C1 ZINC000409473202 1074490986 /nfs/dbraw/zinc/49/09/86/1074490986.db2.gz BEKKTFHLGDRLPF-OAGGEKHMSA-N 0 0 434.588 -0.039 20 30 IBEDRN C[C@@H](C#N)CN(C)S(=O)(=O)N1CCC[C@@H](CNS(=O)(=O)N(C)C[C@H](C)C#N)C1 ZINC000409473203 1074491032 /nfs/dbraw/zinc/49/10/32/1074491032.db2.gz BEKKTFHLGDRLPF-PMPSAXMXSA-N 0 0 434.588 -0.039 20 30 IBEDRN C[C@@H](C#N)CN(C)S(=O)(=O)NC[C@@H]1CCCN(S(=O)(=O)N(C)C[C@H](C)C#N)C1 ZINC000409473204 1074491071 /nfs/dbraw/zinc/49/10/71/1074491071.db2.gz BEKKTFHLGDRLPF-XHSDSOJGSA-N 0 0 434.588 -0.039 20 30 IBEDRN C[C@H](C#N)CN(C)S(=O)(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 ZINC000409490299 1074491651 /nfs/dbraw/zinc/49/16/51/1074491651.db2.gz GCNIQGGADJHDSQ-GFCCVEGCSA-N 0 0 430.508 -0.243 20 30 IBEDRN C[C@@H](C#N)CN(C)S(=O)(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 ZINC000409490302 1074491676 /nfs/dbraw/zinc/49/16/76/1074491676.db2.gz GCNIQGGADJHDSQ-LBPRGKRZSA-N 0 0 430.508 -0.243 20 30 IBEDRN CCN(CCC#N)S(=O)(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 ZINC000409490857 1074491547 /nfs/dbraw/zinc/49/15/47/1074491547.db2.gz KRBFAGDCYCWVOH-UHFFFAOYSA-N 0 0 430.508 -0.099 20 30 IBEDRN COc1nc(N2CCN(S(=O)(=O)N3CCO[C@H](C#N)C3)CC2)ncc1Br ZINC000409495748 1074491505 /nfs/dbraw/zinc/49/15/05/1074491505.db2.gz OWHCDKHPZXFHBZ-LLVKDONJSA-N 0 0 447.315 -0.161 20 30 IBEDRN COc1nc(N2CCN(S(=O)(=O)N3CCO[C@@H](C#N)C3)CC2)ncc1Br ZINC000409495752 1074491641 /nfs/dbraw/zinc/49/16/41/1074491641.db2.gz OWHCDKHPZXFHBZ-NSHDSACASA-N 0 0 447.315 -0.161 20 30 IBEDRN COc1ccc(S(=O)(=O)N2CCCN(S(=O)(=O)N3CCO[C@@H](C#N)C3)CC2)cc1 ZINC000409506440 1074491491 /nfs/dbraw/zinc/49/14/91/1074491491.db2.gz GTGMMQSYTONQBW-INIZCTEOSA-N 0 0 444.535 -0.139 20 30 IBEDRN COc1ccc(S(=O)(=O)N2CCCN(S(=O)(=O)N3CCO[C@H](C#N)C3)CC2)cc1 ZINC000409506441 1074491537 /nfs/dbraw/zinc/49/15/37/1074491537.db2.gz GTGMMQSYTONQBW-MRXNPFEDSA-N 0 0 444.535 -0.139 20 30 IBEDRN COCCN(CCC#N)S(=O)(=O)NC1CN(S(=O)(=O)c2ccc(OC)cc2)C1 ZINC000409506813 1074491629 /nfs/dbraw/zinc/49/16/29/1074491629.db2.gz DYJLVVLOSQBGIX-UHFFFAOYSA-N 0 0 432.524 -0.235 20 30 IBEDRN COCCN(CCC#N)S(=O)(=O)N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 ZINC000409511744 1074491562 /nfs/dbraw/zinc/49/15/62/1074491562.db2.gz GMQQGROQIXPGGN-UHFFFAOYSA-N 0 0 434.544 -0.858 20 30 IBEDRN COCCN(CCC#N)S(=O)(=O)N1CCOC[C@H]1c1noc(-c2cnn(C)c2)n1 ZINC000409513812 1074491576 /nfs/dbraw/zinc/49/15/76/1074491576.db2.gz ZGYAEOHJMXNQTP-AWEZNQCLSA-N 0 0 425.471 -0.050 20 30 IBEDRN COCCN(CCC#N)S(=O)(=O)N1CCOC[C@@H]1c1noc(-c2cnn(C)c2)n1 ZINC000409513813 1074491615 /nfs/dbraw/zinc/49/16/15/1074491615.db2.gz ZGYAEOHJMXNQTP-CQSZACIVSA-N 0 0 425.471 -0.050 20 30 IBEDRN CCO[C@H](CNS(=O)(=O)N(C)C[C@@H](C)C#N)CNS(=O)(=O)N(C)C[C@H](C)C#N ZINC000409515327 1074491517 /nfs/dbraw/zinc/49/15/17/1074491517.db2.gz DAQPXMMYMNAVHV-FICVDOATSA-N 0 0 438.576 -0.757 20 30 IBEDRN CCOC(CNS(=O)(=O)N(C)C[C@@H](C)C#N)CNS(=O)(=O)N(C)C[C@@H](C)C#N ZINC000409515328 1074491467 /nfs/dbraw/zinc/49/14/67/1074491467.db2.gz DAQPXMMYMNAVHV-KBPBESRZSA-N 0 0 438.576 -0.757 20 30 IBEDRN CCOC(CNS(=O)(=O)N(C)C[C@H](C)C#N)CNS(=O)(=O)N(C)C[C@H](C)C#N ZINC000409515331 1074491693 /nfs/dbraw/zinc/49/16/93/1074491693.db2.gz DAQPXMMYMNAVHV-ZIAGYGMSSA-N 0 0 438.576 -0.757 20 30 IBEDRN N#C[C@@H]1CN(S(=O)(=O)N2CCN([C@H](C(N)=O)c3ccc(Cl)cc3)CC2)CCO1 ZINC000409518002 1074491949 /nfs/dbraw/zinc/49/19/49/1074491949.db2.gz LKIGALNWRCXUCE-CVEARBPZSA-N 0 0 427.914 -0.047 20 30 IBEDRN N#C[C@H]1CN(S(=O)(=O)N2CCN([C@H](C(N)=O)c3ccc(Cl)cc3)CC2)CCO1 ZINC000409518005 1074491980 /nfs/dbraw/zinc/49/19/80/1074491980.db2.gz LKIGALNWRCXUCE-HOTGVXAUSA-N 0 0 427.914 -0.047 20 30 IBEDRN N#C[C@@H]1CN(S(=O)(=O)N2CCN([C@@H](C(N)=O)c3ccc(Cl)cc3)CC2)CCO1 ZINC000409518006 1074491902 /nfs/dbraw/zinc/49/19/02/1074491902.db2.gz LKIGALNWRCXUCE-HZPDHXFCSA-N 0 0 427.914 -0.047 20 30 IBEDRN N#C[C@H]1CN(S(=O)(=O)N2CCN([C@@H](C(N)=O)c3ccc(Cl)cc3)CC2)CCO1 ZINC000409518007 1074491962 /nfs/dbraw/zinc/49/19/62/1074491962.db2.gz LKIGALNWRCXUCE-JKSUJKDBSA-N 0 0 427.914 -0.047 20 30 IBEDRN N#C[C@H]1CN(S(=O)(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)CCO1 ZINC000409519965 1074491926 /nfs/dbraw/zinc/49/19/26/1074491926.db2.gz ILACNPHXAJXMSR-AWEZNQCLSA-N 0 0 445.479 -0.630 20 30 IBEDRN N#C[C@@H]1CN(S(=O)(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)CCO1 ZINC000409519967 1074491968 /nfs/dbraw/zinc/49/19/68/1074491968.db2.gz ILACNPHXAJXMSR-CQSZACIVSA-N 0 0 445.479 -0.630 20 30 IBEDRN COc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CCO[C@@H](C#N)C3)CC2)cc1 ZINC000409521998 1074491984 /nfs/dbraw/zinc/49/19/84/1074491984.db2.gz OEEOJJXBCYYJFU-HNNXBMFYSA-N 0 0 430.508 -0.529 20 30 IBEDRN COc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CCO[C@H](C#N)C3)CC2)cc1 ZINC000409522001 1074492020 /nfs/dbraw/zinc/49/20/20/1074492020.db2.gz OEEOJJXBCYYJFU-OAHLLOKOSA-N 0 0 430.508 -0.529 20 30 IBEDRN N#C[C@@H]1CN(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CCO1 ZINC000409524369 1074491484 /nfs/dbraw/zinc/49/14/84/1074491484.db2.gz XTIURSZXOCJIDN-CYBMUJFWSA-N 0 0 445.479 -0.630 20 30 IBEDRN N#C[C@H]1CN(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CCO1 ZINC000409524377 1074491619 /nfs/dbraw/zinc/49/16/19/1074491619.db2.gz XTIURSZXOCJIDN-ZDUSSCGKSA-N 0 0 445.479 -0.630 20 30 IBEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)CC1 ZINC000409526761 1074491524 /nfs/dbraw/zinc/49/15/24/1074491524.db2.gz CDYSHMORKJWYAV-HNNXBMFYSA-N 0 0 425.492 -0.666 20 30 IBEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)CC1 ZINC000409526763 1074491685 /nfs/dbraw/zinc/49/16/85/1074491685.db2.gz CDYSHMORKJWYAV-OAHLLOKOSA-N 0 0 425.492 -0.666 20 30 IBEDRN N#C[C@@H]1CN(S(=O)(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)CCO1 ZINC000409532046 1074492228 /nfs/dbraw/zinc/49/22/28/1074492228.db2.gz CANQXCASXBEBTA-GFCCVEGCSA-N 0 0 436.537 -0.672 20 30 IBEDRN N#C[C@H]1CN(S(=O)(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)CCO1 ZINC000409532051 1074492414 /nfs/dbraw/zinc/49/24/14/1074492414.db2.gz CANQXCASXBEBTA-LBPRGKRZSA-N 0 0 436.537 -0.672 20 30 IBEDRN COCCN(CCC#N)S(=O)(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000409532062 1074492293 /nfs/dbraw/zinc/49/22/93/1074492293.db2.gz YEBJWERWULKNOP-UHFFFAOYSA-N 0 0 441.535 -0.029 20 30 IBEDRN N#C[C@H]1CN(S(=O)(=O)N2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)CCO1 ZINC000409532867 1074492005 /nfs/dbraw/zinc/49/20/05/1074492005.db2.gz DPSBWOQWTFDOKS-HNNXBMFYSA-N 0 0 432.499 -0.009 20 30 IBEDRN N#C[C@@H]1CN(S(=O)(=O)N2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)CCO1 ZINC000409532868 1074492248 /nfs/dbraw/zinc/49/22/48/1074492248.db2.gz DPSBWOQWTFDOKS-OAHLLOKOSA-N 0 0 432.499 -0.009 20 30 IBEDRN Cc1noc(C)c1S(=O)(=O)N1CCCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)CC1 ZINC000409535084 1074491953 /nfs/dbraw/zinc/49/19/53/1074491953.db2.gz GOLJDYLOZQANSC-AWEZNQCLSA-N 0 0 433.512 -0.543 20 30 IBEDRN Cc1noc(C)c1S(=O)(=O)N1CCCN(S(=O)(=O)N2CCO[C@H](C#N)C2)CC1 ZINC000409535088 1071012525 /nfs/dbraw/zinc/01/25/25/1071012525.db2.gz GOLJDYLOZQANSC-CQSZACIVSA-N 0 0 433.512 -0.543 20 30 IBEDRN COCCN(CCC#N)S(=O)(=O)N1CCN(S(=O)(=O)N2CCCCCC2)CC1 ZINC000409535100 1074491938 /nfs/dbraw/zinc/49/19/38/1074491938.db2.gz KURVUWWQVDALKD-UHFFFAOYSA-N 0 0 437.588 -0.168 20 30 IBEDRN N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CCO[C@@H](C#N)C3)CC2)cc1 ZINC000409535616 1074492010 /nfs/dbraw/zinc/49/20/10/1074492010.db2.gz KHYDFUPMZVYRJA-HNNXBMFYSA-N 0 0 425.492 -0.666 20 30 IBEDRN N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CCO[C@H](C#N)C3)CC2)cc1 ZINC000409535617 1074491883 /nfs/dbraw/zinc/49/18/83/1074491883.db2.gz KHYDFUPMZVYRJA-OAHLLOKOSA-N 0 0 425.492 -0.666 20 30 IBEDRN N#C[C@H]1CN(S(=O)(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)CCO1 ZINC000409539610 1074492908 /nfs/dbraw/zinc/49/29/08/1074492908.db2.gz XLKDYOXMUZMNHF-KRWDZBQOSA-N 0 0 444.535 -0.593 20 30 IBEDRN N#C[C@@H]1CN(S(=O)(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)CCO1 ZINC000409539612 1074492829 /nfs/dbraw/zinc/49/28/29/1074492829.db2.gz XLKDYOXMUZMNHF-QGZVFWFLSA-N 0 0 444.535 -0.593 20 30 IBEDRN COCCN(CCC#N)S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000409539947 1074492857 /nfs/dbraw/zinc/49/28/57/1074492857.db2.gz ZMOPRYKAECMTNW-UHFFFAOYSA-N 0 0 441.535 -0.029 20 30 IBEDRN C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1 ZINC000409541449 1074492853 /nfs/dbraw/zinc/49/28/53/1074492853.db2.gz SMJASEBGBHQWLX-KRWDZBQOSA-N 0 0 448.545 -0.135 20 30 IBEDRN C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1 ZINC000409541450 1074492871 /nfs/dbraw/zinc/49/28/71/1074492871.db2.gz SMJASEBGBHQWLX-QGZVFWFLSA-N 0 0 448.545 -0.135 20 30 IBEDRN N#C[C@H]1CN(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)CCO1 ZINC000409542374 1074493512 /nfs/dbraw/zinc/49/35/12/1074493512.db2.gz AVJKRLIZJVDCJB-KRWDZBQOSA-N 0 0 440.547 -0.049 20 30 IBEDRN N#C[C@@H]1CN(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)CCO1 ZINC000409542375 1074493288 /nfs/dbraw/zinc/49/32/88/1074493288.db2.gz AVJKRLIZJVDCJB-QGZVFWFLSA-N 0 0 440.547 -0.049 20 30 IBEDRN N#C[C@H]1CN(S(=O)(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CCO1 ZINC000409542538 1071012380 /nfs/dbraw/zinc/01/23/80/1071012380.db2.gz BCEJOPXMNLMLEP-HNNXBMFYSA-N 0 0 430.508 -0.734 20 30 IBEDRN N#C[C@@H]1CN(S(=O)(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CCO1 ZINC000409542541 1074492899 /nfs/dbraw/zinc/49/28/99/1074492899.db2.gz BCEJOPXMNLMLEP-OAHLLOKOSA-N 0 0 430.508 -0.734 20 30 IBEDRN N#C[C@@H]1CN(S(=O)(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)CCO1 ZINC000409544474 1074492876 /nfs/dbraw/zinc/49/28/76/1074492876.db2.gz SOHMFHLSGJGHNG-GFCCVEGCSA-N 0 0 436.462 -0.260 20 30 IBEDRN N#C[C@H]1CN(S(=O)(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)CCO1 ZINC000409544476 1074492913 /nfs/dbraw/zinc/49/29/13/1074492913.db2.gz SOHMFHLSGJGHNG-LBPRGKRZSA-N 0 0 436.462 -0.260 20 30 IBEDRN CC(=O)c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CCO[C@@H](C#N)C3)CC2)cc1 ZINC000409544568 1074492417 /nfs/dbraw/zinc/49/24/17/1074492417.db2.gz MCNYULMQRGQUAL-INIZCTEOSA-N 0 0 442.519 -0.335 20 30 IBEDRN CC(=O)c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CCO[C@H](C#N)C3)CC2)cc1 ZINC000409544569 1074492822 /nfs/dbraw/zinc/49/28/22/1074492822.db2.gz MCNYULMQRGQUAL-MRXNPFEDSA-N 0 0 442.519 -0.335 20 30 IBEDRN COCCN(CCC#N)S(=O)(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1 ZINC000409545336 1074492302 /nfs/dbraw/zinc/49/23/02/1074492302.db2.gz PMAKRFOCPMXEBP-UHFFFAOYSA-N 0 0 435.528 -0.295 20 30 IBEDRN COCCN(CCC#N)S(=O)(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000409546649 1074492360 /nfs/dbraw/zinc/49/23/60/1074492360.db2.gz WSFBAWWUMCIEHQ-UHFFFAOYSA-N 0 0 446.551 -0.096 20 30 IBEDRN COCCN(CCC#N)S(=O)(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 ZINC000409550692 1074493459 /nfs/dbraw/zinc/49/34/59/1074493459.db2.gz GGDJDTKZTAEFMU-UHFFFAOYSA-N 0 0 440.551 -0.020 20 30 IBEDRN CCN(C[C@@H](C)C#N)S(=O)(=O)N(CCCN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000409555640 1074493351 /nfs/dbraw/zinc/49/33/51/1074493351.db2.gz LXLKURXIXZZNCN-DLBZAZTESA-N 0 0 436.600 -0.076 20 30 IBEDRN CCN(C[C@H](C)C#N)S(=O)(=O)N(CCCN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000409555642 1074493375 /nfs/dbraw/zinc/49/33/75/1074493375.db2.gz LXLKURXIXZZNCN-IAGOWNOFSA-N 0 0 436.600 -0.076 20 30 IBEDRN CCN(C[C@@H](C)C#N)S(=O)(=O)N(CCCN1CCOCC1)[C@H]1CCS(=O)(=O)C1 ZINC000409555645 1074493416 /nfs/dbraw/zinc/49/34/16/1074493416.db2.gz LXLKURXIXZZNCN-IRXDYDNUSA-N 0 0 436.600 -0.076 20 30 IBEDRN CCN(C[C@H](C)C#N)S(=O)(=O)N(CCCN1CCOCC1)[C@H]1CCS(=O)(=O)C1 ZINC000409555647 1074493449 /nfs/dbraw/zinc/49/34/49/1074493449.db2.gz LXLKURXIXZZNCN-SJORKVTESA-N 0 0 436.600 -0.076 20 30 IBEDRN N#C[C@@H]1CN(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)CCO1 ZINC000409557310 1074493476 /nfs/dbraw/zinc/49/34/76/1074493476.db2.gz SXZBSQXVJOSNAO-CYBMUJFWSA-N 0 0 436.462 -0.260 20 30 IBEDRN N#C[C@H]1CN(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)CCO1 ZINC000409557311 1074493514 /nfs/dbraw/zinc/49/35/14/1074493514.db2.gz SXZBSQXVJOSNAO-ZDUSSCGKSA-N 0 0 436.462 -0.260 20 30 IBEDRN COCCN(CCC#N)S(=O)(=O)N1CCC(C(=O)NCCCN2CCOCC2)CC1 ZINC000409561466 1074493383 /nfs/dbraw/zinc/49/33/83/1074493383.db2.gz LINXWRFZYXGIDJ-UHFFFAOYSA-N 0 0 445.586 -0.356 20 30 IBEDRN N#C[C@@H]1CN(S(=O)(=O)N2CCN(S(=O)(=O)c3c[nH]c4ncccc34)CC2)CCO1 ZINC000409566121 1074493500 /nfs/dbraw/zinc/49/35/00/1074493500.db2.gz UKGGUZFNRLCEKV-CYBMUJFWSA-N 0 0 440.507 -0.662 20 30 IBEDRN N#C[C@H]1CN(S(=O)(=O)N2CCN(S(=O)(=O)c3c[nH]c4ncccc34)CC2)CCO1 ZINC000409566122 1074493329 /nfs/dbraw/zinc/49/33/29/1074493329.db2.gz UKGGUZFNRLCEKV-ZDUSSCGKSA-N 0 0 440.507 -0.662 20 30 IBEDRN N#C[C@@H]1CN(S(=O)(=O)NCc2cccc(NC(=O)CCN3CCOCC3)c2)CCO1 ZINC000409586345 1074493662 /nfs/dbraw/zinc/49/36/62/1074493662.db2.gz JYFMLRKUAIAJIB-GOSISDBHSA-N 0 0 437.522 -0.094 20 30 IBEDRN N#C[C@H]1CN(S(=O)(=O)NCc2cccc(NC(=O)CCN3CCOCC3)c2)CCO1 ZINC000409586350 1074493723 /nfs/dbraw/zinc/49/37/23/1074493723.db2.gz JYFMLRKUAIAJIB-SFHVURJKSA-N 0 0 437.522 -0.094 20 30 IBEDRN COCCN(CCC#N)S(=O)(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000409588384 1074494397 /nfs/dbraw/zinc/49/43/97/1074494397.db2.gz VQGGOROYHSOUGS-UHFFFAOYSA-N 0 0 431.540 -0.437 20 30 IBEDRN CCN(C[C@H](C)C#N)S(=O)(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000409592363 1074494489 /nfs/dbraw/zinc/49/44/89/1074494489.db2.gz PXUULIOSMIOJNX-BZUAXINKSA-N 0 0 437.588 -0.316 20 30 IBEDRN CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000409592366 1074494421 /nfs/dbraw/zinc/49/44/21/1074494421.db2.gz PXUULIOSMIOJNX-HRCADAONSA-N 0 0 437.588 -0.316 20 30 IBEDRN CCN(C[C@H](C)C#N)S(=O)(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000409592368 1074494503 /nfs/dbraw/zinc/49/45/03/1074494503.db2.gz PXUULIOSMIOJNX-OAGGEKHMSA-N 0 0 437.588 -0.316 20 30 IBEDRN CCN(C[C@H](C)C#N)S(=O)(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000409592370 1074494429 /nfs/dbraw/zinc/49/44/29/1074494429.db2.gz PXUULIOSMIOJNX-PMPSAXMXSA-N 0 0 437.588 -0.316 20 30 IBEDRN N#C[C@H]1CN(S(=O)(=O)NCc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)CCO1 ZINC000409595464 1074493812 /nfs/dbraw/zinc/49/38/12/1074493812.db2.gz QDJAHWICZKXRQW-CVEARBPZSA-N 0 0 444.535 -0.297 20 30 IBEDRN N#C[C@H]1CN(S(=O)(=O)NCc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)CCO1 ZINC000409595468 1074493719 /nfs/dbraw/zinc/49/37/19/1074493719.db2.gz QDJAHWICZKXRQW-HOTGVXAUSA-N 0 0 444.535 -0.297 20 30 IBEDRN N#C[C@@H]1CN(S(=O)(=O)NCc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)CCO1 ZINC000409595469 1074493675 /nfs/dbraw/zinc/49/36/75/1074493675.db2.gz QDJAHWICZKXRQW-HZPDHXFCSA-N 0 0 444.535 -0.297 20 30 IBEDRN N#C[C@@H]1CN(S(=O)(=O)NCc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)CCO1 ZINC000409595471 1074493651 /nfs/dbraw/zinc/49/36/51/1074493651.db2.gz QDJAHWICZKXRQW-JKSUJKDBSA-N 0 0 444.535 -0.297 20 30 IBEDRN CCN(C[C@H](C)C#N)S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 ZINC000409596998 1074494465 /nfs/dbraw/zinc/49/44/65/1074494465.db2.gz ULOWATICDVBRON-GFCCVEGCSA-N 0 0 433.512 -0.589 20 30 IBEDRN CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 ZINC000409597002 1074494481 /nfs/dbraw/zinc/49/44/81/1074494481.db2.gz ULOWATICDVBRON-LBPRGKRZSA-N 0 0 433.512 -0.589 20 30 IBEDRN CN(C1CCCCC1)S(=O)(=O)N1CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)CC1 ZINC000409597070 1074494455 /nfs/dbraw/zinc/49/44/55/1074494455.db2.gz RJXXJQUDSIBTFF-INIZCTEOSA-N 0 0 435.572 -0.418 20 30 IBEDRN CN(C1CCCCC1)S(=O)(=O)N1CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)CC1 ZINC000409597074 1074494436 /nfs/dbraw/zinc/49/44/36/1074494436.db2.gz RJXXJQUDSIBTFF-MRXNPFEDSA-N 0 0 435.572 -0.418 20 30 IBEDRN CCN(C[C@@H](C)C#N)S(=O)(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000409597506 1074495142 /nfs/dbraw/zinc/49/51/42/1074495142.db2.gz NBINEZCGAKLNTC-INIZCTEOSA-N 0 0 444.583 -0.151 20 30 IBEDRN CCN(C[C@H](C)C#N)S(=O)(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000409597511 1074495112 /nfs/dbraw/zinc/49/51/12/1074495112.db2.gz NBINEZCGAKLNTC-MRXNPFEDSA-N 0 0 444.583 -0.151 20 30 IBEDRN N#C[C@H]1CN(S(=O)(=O)NCCC(=O)N2CCN(c3ccc(F)cc3)CC2)CCO1 ZINC000409597679 1074495165 /nfs/dbraw/zinc/49/51/65/1074495165.db2.gz WAMRQCLQVFKKIT-KRWDZBQOSA-N 0 0 425.486 -0.077 20 30 IBEDRN N#C[C@@H]1CN(S(=O)(=O)NCCC(=O)N2CCN(c3ccc(F)cc3)CC2)CCO1 ZINC000409597682 1074495173 /nfs/dbraw/zinc/49/51/73/1074495173.db2.gz WAMRQCLQVFKKIT-QGZVFWFLSA-N 0 0 425.486 -0.077 20 30 IBEDRN CCN(CCC#N)S(=O)(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000409600029 1074495153 /nfs/dbraw/zinc/49/51/53/1074495153.db2.gz TXMUTPYHXZBGAC-UHFFFAOYSA-N 0 0 430.556 -0.397 20 30 IBEDRN C[C@@H](C#N)CN(C)S(=O)(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000409601121 1074494507 /nfs/dbraw/zinc/49/45/07/1074494507.db2.gz YZHNSFVARPVNMG-HNNXBMFYSA-N 0 0 430.556 -0.541 20 30 IBEDRN C[C@H](C#N)CN(C)S(=O)(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000409601126 1074494494 /nfs/dbraw/zinc/49/44/94/1074494494.db2.gz YZHNSFVARPVNMG-OAHLLOKOSA-N 0 0 430.556 -0.541 20 30 IBEDRN C[C@H](C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1)n1cnc(C#N)n1 ZINC000409666775 1074495470 /nfs/dbraw/zinc/49/54/70/1074495470.db2.gz PPHNGCRWOLQIDQ-GFCCVEGCSA-N 0 0 445.461 -0.425 20 30 IBEDRN C[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1)n1cnc(C#N)n1 ZINC000409666781 1074495461 /nfs/dbraw/zinc/49/54/61/1074495461.db2.gz PPHNGCRWOLQIDQ-LBPRGKRZSA-N 0 0 445.461 -0.425 20 30 IBEDRN N#Cc1ccc(CN2CC[C@H](NC(=O)N3CCN(CCS(N)(=O)=O)CC3)C2=O)cc1 ZINC000409671439 1074495526 /nfs/dbraw/zinc/49/55/26/1074495526.db2.gz YYRJAVFXJDHTFO-KRWDZBQOSA-N 0 0 434.522 -0.725 20 30 IBEDRN N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CCN(CCS(N)(=O)=O)CC3)C2=O)cc1 ZINC000409671444 1074495489 /nfs/dbraw/zinc/49/54/89/1074495489.db2.gz YYRJAVFXJDHTFO-QGZVFWFLSA-N 0 0 434.522 -0.725 20 30 IBEDRN CN(CC(=O)NCCS(=O)(=O)N1CCSCC1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000410014328 1074499136 /nfs/dbraw/zinc/49/91/36/1074499136.db2.gz XUXKRNRULXQKHZ-UHFFFAOYSA-N 0 0 446.576 -0.326 20 30 IBEDRN N#CCCNS(=O)(=O)c1ccc(C(=O)NCCS(=O)(=O)N2CCSCC2)cc1 ZINC000410022089 1074499189 /nfs/dbraw/zinc/49/91/89/1074499189.db2.gz OPYBFPGDCPYTBI-UHFFFAOYSA-N 0 0 446.576 -0.013 20 30 IBEDRN N#Cc1ccc(CS(=O)(=O)CC(=O)NCCS(=O)(=O)N2CCSCC2)cc1 ZINC000410024481 1074499140 /nfs/dbraw/zinc/49/91/40/1074499140.db2.gz DMCYNIHNVLAKOM-UHFFFAOYSA-N 0 0 431.561 -0.032 20 30 IBEDRN COCCN(CCC#N)S(=O)(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 ZINC000410089306 1074500130 /nfs/dbraw/zinc/50/01/30/1074500130.db2.gz SQMUHMQOCBEPQG-UHFFFAOYSA-N 0 0 425.515 -0.788 20 30 IBEDRN N#C[C@H]1CN(S(=O)(=O)N2CCN(CCNC(=O)c3ccccc3F)CC2)CCO1 ZINC000410116645 1074500238 /nfs/dbraw/zinc/50/02/38/1074500238.db2.gz PSQRGBQXDGRMKA-HNNXBMFYSA-N 0 0 425.486 -0.358 20 30 IBEDRN N#C[C@@H]1CN(S(=O)(=O)N2CCN(CCNC(=O)c3ccccc3F)CC2)CCO1 ZINC000410116646 1074500203 /nfs/dbraw/zinc/50/02/03/1074500203.db2.gz PSQRGBQXDGRMKA-OAHLLOKOSA-N 0 0 425.486 -0.358 20 30 IBEDRN CS(=O)(=O)c1cccc(C(=O)N2CCN(S(=O)(=O)N3CCO[C@@H](C#N)C3)CC2)c1 ZINC000410116714 1074500233 /nfs/dbraw/zinc/50/02/33/1074500233.db2.gz CKWRBPSLGYMHNV-HNNXBMFYSA-N 0 0 442.519 -0.683 20 30 IBEDRN CS(=O)(=O)c1cccc(C(=O)N2CCN(S(=O)(=O)N3CCO[C@H](C#N)C3)CC2)c1 ZINC000410116717 1074500063 /nfs/dbraw/zinc/50/00/63/1074500063.db2.gz CKWRBPSLGYMHNV-OAHLLOKOSA-N 0 0 442.519 -0.683 20 30 IBEDRN COCCN(CCC#N)S(=O)(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000410118337 1074500087 /nfs/dbraw/zinc/50/00/87/1074500087.db2.gz HNJLZVAHMQJISY-UHFFFAOYSA-N 0 0 439.542 -0.458 20 30 IBEDRN CNS(=O)(=O)c1ccccc1N1CCN(S(=O)(=O)N(CCC#N)CCOC)CC1 ZINC000410119463 1074500111 /nfs/dbraw/zinc/50/01/11/1074500111.db2.gz DLHWAUYALRLBMJ-UHFFFAOYSA-N 0 0 445.567 -0.176 20 30 IBEDRN CNS(=O)(=O)c1cccc(NC(=O)CNS(=O)(=O)N(CCC#N)CCOC)c1 ZINC000410120479 1074500144 /nfs/dbraw/zinc/50/01/44/1074500144.db2.gz ULFKJKZNKNFVBY-UHFFFAOYSA-N 0 0 433.512 -0.770 20 30 IBEDRN CNS(=O)(=O)c1ccccc1N1CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)CC1 ZINC000410122846 1074500081 /nfs/dbraw/zinc/50/00/81/1074500081.db2.gz NRIYTGUEFCQQGI-AWEZNQCLSA-N 0 0 429.524 -0.814 20 30 IBEDRN CNS(=O)(=O)c1ccccc1N1CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)CC1 ZINC000410122849 1074500197 /nfs/dbraw/zinc/50/01/97/1074500197.db2.gz NRIYTGUEFCQQGI-CQSZACIVSA-N 0 0 429.524 -0.814 20 30 IBEDRN CN1CCN(S(=O)(=O)c2ccccc2CNS(=O)(=O)N2CCO[C@@H](C#N)C2)CC1 ZINC000410133652 1074500185 /nfs/dbraw/zinc/50/01/85/1074500185.db2.gz CMLBRALTLLQPQR-INIZCTEOSA-N 0 0 443.551 -0.819 20 30 IBEDRN CN1CCN(S(=O)(=O)c2ccccc2CNS(=O)(=O)N2CCO[C@H](C#N)C2)CC1 ZINC000410133653 1074500225 /nfs/dbraw/zinc/50/02/25/1074500225.db2.gz CMLBRALTLLQPQR-MRXNPFEDSA-N 0 0 443.551 -0.819 20 30 IBEDRN N#C[C@@H]1CN(S(=O)(=O)NC2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)CCO1 ZINC000410147655 1074500634 /nfs/dbraw/zinc/50/06/34/1074500634.db2.gz BYVGNCPBLVZPIK-CRAIPNDOSA-N 0 0 436.490 -0.124 20 30 IBEDRN N#C[C@H]1CN(S(=O)(=O)NC2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)CCO1 ZINC000410147656 1074500707 /nfs/dbraw/zinc/50/07/07/1074500707.db2.gz BYVGNCPBLVZPIK-MAUKXSAKSA-N 0 0 436.490 -0.124 20 30 IBEDRN N#C[C@@H]1CN(S(=O)(=O)NC2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)CCO1 ZINC000410147657 1074500833 /nfs/dbraw/zinc/50/08/33/1074500833.db2.gz BYVGNCPBLVZPIK-QAPCUYQASA-N 0 0 436.490 -0.124 20 30 IBEDRN N#C[C@H]1CN(S(=O)(=O)NC2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)CCO1 ZINC000410147658 1074500591 /nfs/dbraw/zinc/50/05/91/1074500591.db2.gz BYVGNCPBLVZPIK-YJBOKZPZSA-N 0 0 436.490 -0.124 20 30 IBEDRN COCCN(CCC#N)S(=O)(=O)NCc1ccccc1S(=O)(=O)N(C)CCO ZINC000410154419 1074500841 /nfs/dbraw/zinc/50/08/41/1074500841.db2.gz NKUVQRQCDALHES-UHFFFAOYSA-N 0 0 434.540 -0.504 20 30 IBEDRN COCCN(CCC#N)S(=O)(=O)N1CCN(S(=O)(=O)CCOC(C)C)CC1 ZINC000410155414 1074500761 /nfs/dbraw/zinc/50/07/61/1074500761.db2.gz SXVIVQSFVHURBN-UHFFFAOYSA-N 0 0 426.561 -0.534 20 30 IBEDRN COCCN(CCC#N)S(=O)(=O)N1CCN(S(=O)(=O)c2csc(C)n2)CC1 ZINC000410159819 1074501288 /nfs/dbraw/zinc/50/12/88/1074501288.db2.gz QIVPCYZFESTIKG-UHFFFAOYSA-N 0 0 437.569 -0.135 20 30 IBEDRN CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)NS(=O)(=O)N(CCC#N)CCOC)c1 ZINC000410161759 1074500716 /nfs/dbraw/zinc/50/07/16/1074500716.db2.gz MFIRKCTWTZKCPV-CYBMUJFWSA-N 0 0 447.539 -0.382 20 30 IBEDRN CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NS(=O)(=O)N(CCC#N)CCOC)c1 ZINC000410161760 1074500752 /nfs/dbraw/zinc/50/07/52/1074500752.db2.gz MFIRKCTWTZKCPV-ZDUSSCGKSA-N 0 0 447.539 -0.382 20 30 IBEDRN COCCN(CCC#N)S(=O)(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1 ZINC000410162514 1074500738 /nfs/dbraw/zinc/50/07/38/1074500738.db2.gz SNYYTCAFUSWYEX-UHFFFAOYSA-N 0 0 434.544 -0.730 20 30 IBEDRN COC(=O)CN(CCN1CCN(C)CC1)C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 ZINC000410166336 1074500573 /nfs/dbraw/zinc/50/05/73/1074500573.db2.gz CQKNDDFNOVWKMV-UHFFFAOYSA-N 0 0 436.534 -0.278 20 30 IBEDRN N#C[C@H]1CN(S(=O)(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)CCO1 ZINC000410200561 1074503307 /nfs/dbraw/zinc/50/33/07/1074503307.db2.gz ULLRZUXCTSVKNL-CVEARBPZSA-N 0 0 437.526 -0.659 20 30 IBEDRN N#C[C@H]1CN(S(=O)(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)CCO1 ZINC000410200564 1074503273 /nfs/dbraw/zinc/50/32/73/1074503273.db2.gz ULLRZUXCTSVKNL-HOTGVXAUSA-N 0 0 437.526 -0.659 20 30 IBEDRN N#C[C@@H]1CN(S(=O)(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)CCO1 ZINC000410200566 1074503325 /nfs/dbraw/zinc/50/33/25/1074503325.db2.gz ULLRZUXCTSVKNL-HZPDHXFCSA-N 0 0 437.526 -0.659 20 30 IBEDRN N#C[C@@H]1CN(S(=O)(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)CCO1 ZINC000410200568 1074503399 /nfs/dbraw/zinc/50/33/99/1074503399.db2.gz ULLRZUXCTSVKNL-JKSUJKDBSA-N 0 0 437.526 -0.659 20 30 IBEDRN COCCN(C)S(=O)(=O)[C@H]1CCCN(S(=O)(=O)N(CCC#N)CCOC)C1 ZINC000410388374 1074506004 /nfs/dbraw/zinc/50/60/04/1074506004.db2.gz QPUDAVGRQKABTH-HNNXBMFYSA-N 0 0 426.561 -0.534 20 30 IBEDRN COCCN(C)S(=O)(=O)[C@@H]1CCCN(S(=O)(=O)N(CCC#N)CCOC)C1 ZINC000410388375 1074506060 /nfs/dbraw/zinc/50/60/60/1074506060.db2.gz QPUDAVGRQKABTH-OAHLLOKOSA-N 0 0 426.561 -0.534 20 30 IBEDRN N#C[C@H]1CN(S(=O)(=O)NC[C@@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)CCO1 ZINC000410408284 1074506106 /nfs/dbraw/zinc/50/61/06/1074506106.db2.gz SCAZAVPRCLCOND-AEFFLSMTSA-N 0 0 440.497 -0.098 20 30 IBEDRN N#C[C@@H]1CN(S(=O)(=O)NC[C@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)CCO1 ZINC000410408285 1074506082 /nfs/dbraw/zinc/50/60/82/1074506082.db2.gz SCAZAVPRCLCOND-FUHWJXTLSA-N 0 0 440.497 -0.098 20 30 IBEDRN N#C[C@@H]1CN(S(=O)(=O)NC[C@@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)CCO1 ZINC000410408286 1074506071 /nfs/dbraw/zinc/50/60/71/1074506071.db2.gz SCAZAVPRCLCOND-SJLPKXTDSA-N 0 0 440.497 -0.098 20 30 IBEDRN N#C[C@H]1CN(S(=O)(=O)NC[C@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)CCO1 ZINC000410408287 1074506120 /nfs/dbraw/zinc/50/61/20/1074506120.db2.gz SCAZAVPRCLCOND-WMZOPIPTSA-N 0 0 440.497 -0.098 20 30 IBEDRN COCCN(CCC#N)S(=O)(=O)N[C@H](C(=O)N(C)Cc1nnc2n1CCC2)C(C)C ZINC000410413978 1074506012 /nfs/dbraw/zinc/50/60/12/1074506012.db2.gz MXSWAKKLSNOMFU-KRWDZBQOSA-N 0 0 441.558 -0.096 20 30 IBEDRN COCCN(CCC#N)S(=O)(=O)N[C@@H](C(=O)N(C)Cc1nnc2n1CCC2)C(C)C ZINC000410413979 1074505995 /nfs/dbraw/zinc/50/59/95/1074505995.db2.gz MXSWAKKLSNOMFU-QGZVFWFLSA-N 0 0 441.558 -0.096 20 30 IBEDRN C=CCN1CC[C@H](N2CCN(S(=O)(=O)c3ccc(S(N)(=O)=O)cc3)CC2)C1=O ZINC000410422697 1074506472 /nfs/dbraw/zinc/50/64/72/1074506472.db2.gz YVJMDUZLZSXBPG-INIZCTEOSA-N 0 0 428.536 -0.573 20 30 IBEDRN C=CCN1CC[C@@H](N2CCN(S(=O)(=O)c3ccc(S(N)(=O)=O)cc3)CC2)C1=O ZINC000410422703 1074506503 /nfs/dbraw/zinc/50/65/03/1074506503.db2.gz YVJMDUZLZSXBPG-MRXNPFEDSA-N 0 0 428.536 -0.573 20 30 IBEDRN COCC(=O)N1CCc2cc(NC(=O)C(=O)NCCCc3[nH]nc(N)c3C#N)ccc21 ZINC000425973949 1073356148 /nfs/dbraw/zinc/35/61/48/1073356148.db2.gz LDOLGHRCHPCTNC-UHFFFAOYSA-N 0 0 425.449 0.087 20 30 IBEDRN CCOC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)Cn3cnc(C#N)n3)CC2)cc1 ZINC000425996015 1072009198 /nfs/dbraw/zinc/00/91/98/1072009198.db2.gz NYLINAYIXRMPRU-UHFFFAOYSA-N 0 0 432.462 -0.140 20 30 IBEDRN C[C@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)[C@@H](C(N)=O)C1 ZINC000426267860 1072047065 /nfs/dbraw/zinc/04/70/65/1072047065.db2.gz BACUJNAEPGIVIW-DOTOQJQBSA-N 0 0 433.534 -0.023 20 30 IBEDRN C[C@@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)[C@@H](C(N)=O)C1 ZINC000426267861 1072047004 /nfs/dbraw/zinc/04/70/04/1072047004.db2.gz BACUJNAEPGIVIW-NVXWUHKLSA-N 0 0 433.534 -0.023 20 30 IBEDRN C[C@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)[C@H](C(N)=O)C1 ZINC000426267862 1072047089 /nfs/dbraw/zinc/04/70/89/1072047089.db2.gz BACUJNAEPGIVIW-RDJZCZTQSA-N 0 0 433.534 -0.023 20 30 IBEDRN C[C@@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)[C@H](C(N)=O)C1 ZINC000426267863 1072047150 /nfs/dbraw/zinc/04/71/50/1072047150.db2.gz BACUJNAEPGIVIW-WBVHZDCISA-N 0 0 433.534 -0.023 20 30 IBEDRN N#Cc1ncn(CC(=O)N2CCCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)n1 ZINC000426409357 1072084815 /nfs/dbraw/zinc/08/48/15/1072084815.db2.gz DUFZVPNBORROQX-UHFFFAOYSA-N 0 0 432.462 -0.156 20 30 IBEDRN C[C@H]1CN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCN1CCO ZINC000426493706 1072098113 /nfs/dbraw/zinc/09/81/13/1072098113.db2.gz DKFROSVQBHYLNY-KRWDZBQOSA-N 0 0 435.550 -0.610 20 30 IBEDRN C[C@@H]1CN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCN1CCO ZINC000426493707 1072098468 /nfs/dbraw/zinc/09/84/68/1072098468.db2.gz DKFROSVQBHYLNY-QGZVFWFLSA-N 0 0 435.550 -0.610 20 30 IBEDRN N#Cc1ncn(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)n1 ZINC000426621243 1072132427 /nfs/dbraw/zinc/13/24/27/1072132427.db2.gz ZCXOWWOTRTVYCM-UHFFFAOYSA-N 0 0 431.434 -0.986 20 30 IBEDRN C=CCNS(=O)(=O)c1cccc(C(=O)NCCNS(=O)(=O)Cc2ccon2)c1 ZINC000426854447 1072181809 /nfs/dbraw/zinc/18/18/09/1072181809.db2.gz TYZLEVCGLZMTTA-UHFFFAOYSA-N 0 0 428.492 -0.012 20 30 IBEDRN CN(C(=O)Cn1cnc(C#N)n1)[C@@H](CNC(=O)Cn1cnc(C#N)n1)c1ccc(F)cc1 ZINC000426863008 1072179942 /nfs/dbraw/zinc/17/99/42/1072179942.db2.gz CFISIXDXSKGBIK-HNNXBMFYSA-N 0 0 436.411 -0.232 20 30 IBEDRN CN(C(=O)Cn1cnc(C#N)n1)[C@H](CNC(=O)Cn1cnc(C#N)n1)c1ccc(F)cc1 ZINC000426863009 1072180008 /nfs/dbraw/zinc/18/00/08/1072180008.db2.gz CFISIXDXSKGBIK-OAHLLOKOSA-N 0 0 436.411 -0.232 20 30 IBEDRN C=CCNS(=O)(=O)c1ccc(C(=O)NCCNS(=O)(=O)Cc2ccon2)cc1 ZINC000426865126 1072180521 /nfs/dbraw/zinc/18/05/21/1072180521.db2.gz UOVUWRRBTGLSBK-UHFFFAOYSA-N 0 0 428.492 -0.012 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc3c(c2)CCN3C(=O)COC)CC1 ZINC000426941718 1072186256 /nfs/dbraw/zinc/18/62/56/1072186256.db2.gz DVPAVQCHGFSIIW-UHFFFAOYSA-N 0 0 443.504 -0.393 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccn(Cc3ccc(OC)cc3)n2)CC1 ZINC000426942762 1073303800 /nfs/dbraw/zinc/30/38/00/1073303800.db2.gz NQKXPDHZRFZQKJ-UHFFFAOYSA-N 0 0 440.504 0.325 20 30 IBEDRN C=CCNC(=O)c1cccc(S(=O)(=O)NCCNS(=O)(=O)Cc2ccon2)c1 ZINC000427250808 1072204574 /nfs/dbraw/zinc/20/45/74/1072204574.db2.gz UVCARZZELJGDIJ-UHFFFAOYSA-N 0 0 428.492 -0.012 20 30 IBEDRN CS(=O)(=O)N1CC(CNC(=O)C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C1 ZINC000427307892 1072208839 /nfs/dbraw/zinc/20/88/39/1072208839.db2.gz JIFXJJUQYPJORR-UHFFFAOYSA-N 0 0 436.881 0.343 20 30 IBEDRN C[C@@H](CNC(=O)Cn1cnc(C#N)n1)N(Cc1ccccc1)C(=O)Cn1cnc(C#N)n1 ZINC000427427426 1072215071 /nfs/dbraw/zinc/21/50/71/1072215071.db2.gz IKTCNRHBUYPHKU-HNNXBMFYSA-N 0 0 432.448 -0.153 20 30 IBEDRN CS(=O)(=O)N1CC(CNC(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C1 ZINC000427436891 1072216652 /nfs/dbraw/zinc/21/66/52/1072216652.db2.gz UMDXYWLZDARSPO-UHFFFAOYSA-N 0 0 436.881 0.343 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2CCCN(Cc3nc([C@@H](C)OC)no3)CC2)C1=O ZINC000427498518 1072221578 /nfs/dbraw/zinc/22/15/78/1072221578.db2.gz FEMYMAIQGBIJIV-CYBMUJFWSA-N 0 0 434.453 -0.212 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2CCCN(Cc3nc([C@H](C)OC)no3)CC2)C1=O ZINC000427498522 1072221651 /nfs/dbraw/zinc/22/16/51/1072221651.db2.gz FEMYMAIQGBIJIV-ZDUSSCGKSA-N 0 0 434.453 -0.212 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cccc(N3CCNC3=O)c2C)CC1 ZINC000427527258 1072223792 /nfs/dbraw/zinc/22/37/92/1072223792.db2.gz HNJNMSQISKIHSP-UHFFFAOYSA-N 0 0 428.493 -0.090 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(C)c(N3CCNC3=O)c2)CC1 ZINC000427527320 1072223780 /nfs/dbraw/zinc/22/37/80/1072223780.db2.gz HZRYKUKPFAGAQO-UHFFFAOYSA-N 0 0 428.493 -0.090 20 30 IBEDRN Cc1nsc(N2CCN(C(=O)CNS(=O)(=O)c3c[nH]c(C(N)=O)c3)CC2)c1C#N ZINC000427576313 1072291014 /nfs/dbraw/zinc/29/10/14/1072291014.db2.gz BRPNCYUSJMHHJI-UHFFFAOYSA-N 0 0 437.507 -0.623 20 30 IBEDRN Cc1nsc(N2CCN(C(=O)c3ccc(S(=O)(=O)NCC(N)=O)o3)CC2)c1C#N ZINC000427585340 1072294730 /nfs/dbraw/zinc/29/47/30/1072294730.db2.gz ZKGGQZWMNZSKHV-UHFFFAOYSA-N 0 0 438.491 -0.358 20 30 IBEDRN Cc1nsc(N2CCN(C(=O)CCS(=O)(=O)NCC(=O)NC(C)C)CC2)c1C#N ZINC000427593732 1072298316 /nfs/dbraw/zinc/29/83/16/1072298316.db2.gz MDSYFSZVKKXUOR-UHFFFAOYSA-N 0 0 442.567 -0.194 20 30 IBEDRN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C ZINC000427656113 1072324043 /nfs/dbraw/zinc/32/40/43/1072324043.db2.gz JMRMCEXISZBDAM-CHWSQXEVSA-N 0 0 441.448 -0.042 20 30 IBEDRN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C ZINC000427656114 1072324101 /nfs/dbraw/zinc/32/41/01/1072324101.db2.gz JMRMCEXISZBDAM-OLZOCXBDSA-N 0 0 441.448 -0.042 20 30 IBEDRN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C ZINC000427656116 1072323954 /nfs/dbraw/zinc/32/39/54/1072323954.db2.gz JMRMCEXISZBDAM-QWHCGFSZSA-N 0 0 441.448 -0.042 20 30 IBEDRN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C ZINC000427656118 1073339870 /nfs/dbraw/zinc/33/98/70/1073339870.db2.gz JMRMCEXISZBDAM-STQMWFEESA-N 0 0 441.448 -0.042 20 30 IBEDRN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 ZINC000427658111 1073339823 /nfs/dbraw/zinc/33/98/23/1073339823.db2.gz VJNSPUFTMUYTHN-NEPJUHHUSA-N 0 0 444.423 0.394 20 30 IBEDRN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 ZINC000427658112 1073339897 /nfs/dbraw/zinc/33/98/97/1073339897.db2.gz VJNSPUFTMUYTHN-NWDGAFQWSA-N 0 0 444.423 0.394 20 30 IBEDRN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 ZINC000427658113 1073340186 /nfs/dbraw/zinc/34/01/86/1073340186.db2.gz VJNSPUFTMUYTHN-RYUDHWBXSA-N 0 0 444.423 0.394 20 30 IBEDRN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 ZINC000427658114 1073339814 /nfs/dbraw/zinc/33/98/14/1073339814.db2.gz VJNSPUFTMUYTHN-VXGBXAGGSA-N 0 0 444.423 0.394 20 30 IBEDRN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000427676497 1072326366 /nfs/dbraw/zinc/32/63/66/1072326366.db2.gz ADSAJQPIJHPKBW-NEPJUHHUSA-N 0 0 427.421 -0.350 20 30 IBEDRN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000427676498 1072326294 /nfs/dbraw/zinc/32/62/94/1072326294.db2.gz ADSAJQPIJHPKBW-NWDGAFQWSA-N 0 0 427.421 -0.350 20 30 IBEDRN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000427676499 1072326503 /nfs/dbraw/zinc/32/65/03/1072326503.db2.gz ADSAJQPIJHPKBW-RYUDHWBXSA-N 0 0 427.421 -0.350 20 30 IBEDRN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000427676500 1072326315 /nfs/dbraw/zinc/32/63/15/1072326315.db2.gz ADSAJQPIJHPKBW-VXGBXAGGSA-N 0 0 427.421 -0.350 20 30 IBEDRN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 ZINC000427694286 1072328717 /nfs/dbraw/zinc/32/87/17/1072328717.db2.gz ISJYLPTZSFFUPB-NEPJUHHUSA-N 0 0 444.423 0.394 20 30 IBEDRN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 ZINC000427694287 1072328687 /nfs/dbraw/zinc/32/86/87/1072328687.db2.gz ISJYLPTZSFFUPB-NWDGAFQWSA-N 0 0 444.423 0.394 20 30 IBEDRN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 ZINC000427694289 1072328721 /nfs/dbraw/zinc/32/87/21/1072328721.db2.gz ISJYLPTZSFFUPB-RYUDHWBXSA-N 0 0 444.423 0.394 20 30 IBEDRN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 ZINC000427694291 1072328154 /nfs/dbraw/zinc/32/81/54/1072328154.db2.gz ISJYLPTZSFFUPB-VXGBXAGGSA-N 0 0 444.423 0.394 20 30 IBEDRN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 ZINC000427710176 1072330014 /nfs/dbraw/zinc/33/00/14/1072330014.db2.gz NHAZZGQXBBFJFH-CHWSQXEVSA-N 0 0 441.448 -0.291 20 30 IBEDRN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 ZINC000427710177 1072329846 /nfs/dbraw/zinc/32/98/46/1072329846.db2.gz NHAZZGQXBBFJFH-OLZOCXBDSA-N 0 0 441.448 -0.291 20 30 IBEDRN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 ZINC000427710178 1072330021 /nfs/dbraw/zinc/33/00/21/1072330021.db2.gz NHAZZGQXBBFJFH-QWHCGFSZSA-N 0 0 441.448 -0.291 20 30 IBEDRN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 ZINC000427710179 1072330576 /nfs/dbraw/zinc/33/05/76/1072330576.db2.gz NHAZZGQXBBFJFH-STQMWFEESA-N 0 0 441.448 -0.291 20 30 IBEDRN Cc1ccc(C(=O)N2CCCN(S(=O)(=O)N(C)C)CC2)cc1S(=O)(=O)NCC#N ZINC000428028965 1072354096 /nfs/dbraw/zinc/35/40/96/1072354096.db2.gz WWHIUDMVCHDBLP-UHFFFAOYSA-N 0 0 443.551 -0.249 20 30 IBEDRN Cn1cc(N2CCN(C(=O)C(=O)Nc3ncn(Cc4ccc(C#N)cc4)n3)CC2=O)cn1 ZINC000428235218 1072366481 /nfs/dbraw/zinc/36/64/81/1072366481.db2.gz GPZDVBKNKSUPID-UHFFFAOYSA-N 0 0 433.432 -0.255 20 30 IBEDRN N#Cc1ncccc1S(=O)(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000428248477 1072426614 /nfs/dbraw/zinc/42/66/14/1072426614.db2.gz LPUXWNDGXSQKNU-UHFFFAOYSA-N 0 0 436.519 -0.221 20 30 IBEDRN N#Cc1ncccc1S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 ZINC000428251335 1072433460 /nfs/dbraw/zinc/43/34/60/1072433460.db2.gz UYTYLZUCXCUYEI-UHFFFAOYSA-N 0 0 425.448 -0.660 20 30 IBEDRN N#Cc1ncccc1S(=O)(=O)N(CCCN1CCOCC1)[C@H]1CCS(=O)(=O)C1 ZINC000428258800 1072452647 /nfs/dbraw/zinc/45/26/47/1072452647.db2.gz GLEQDXZBDLKLIS-HNNXBMFYSA-N 0 0 428.536 -0.147 20 30 IBEDRN N#Cc1ncccc1S(=O)(=O)N(CCCN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000428258801 1072452773 /nfs/dbraw/zinc/45/27/73/1072452773.db2.gz GLEQDXZBDLKLIS-OAHLLOKOSA-N 0 0 428.536 -0.147 20 30 IBEDRN C[C@H]1CN(S(=O)(=O)N2CCN(S(=O)(=O)c3cccnc3C#N)CC2)C[C@H](C)O1 ZINC000428269328 1072473479 /nfs/dbraw/zinc/47/34/79/1072473479.db2.gz UZBJGJMOJBVIEW-KBPBESRZSA-N 0 0 429.524 -0.386 20 30 IBEDRN C[C@@H]1CN(S(=O)(=O)N2CCN(S(=O)(=O)c3cccnc3C#N)CC2)C[C@H](C)O1 ZINC000428269329 1072473464 /nfs/dbraw/zinc/47/34/64/1072473464.db2.gz UZBJGJMOJBVIEW-OKILXGFUSA-N 0 0 429.524 -0.386 20 30 IBEDRN C[C@@H]1CN(S(=O)(=O)N2CCN(S(=O)(=O)c3cccnc3C#N)CC2)C[C@@H](C)O1 ZINC000428269330 1072473521 /nfs/dbraw/zinc/47/35/21/1072473521.db2.gz UZBJGJMOJBVIEW-ZIAGYGMSSA-N 0 0 429.524 -0.386 20 30 IBEDRN N#Cc1ccc(O[C@H]2CCN(CC(=O)N3CCN([C@@H]4CCS(=O)(=O)C4)CC3)C2)nc1 ZINC000428805754 1072492021 /nfs/dbraw/zinc/49/20/21/1072492021.db2.gz OPAKHJDOQVPYGR-MSOLQXFVSA-N 0 0 433.534 -0.262 20 30 IBEDRN N#Cc1ccc(O[C@@H]2CCN(CC(=O)N3CCN([C@@H]4CCS(=O)(=O)C4)CC3)C2)nc1 ZINC000428805755 1072492053 /nfs/dbraw/zinc/49/20/53/1072492053.db2.gz OPAKHJDOQVPYGR-QZTJIDSGSA-N 0 0 433.534 -0.262 20 30 IBEDRN N#Cc1ccc(O[C@H]2CCN(CC(=O)N3CCN([C@H]4CCS(=O)(=O)C4)CC3)C2)nc1 ZINC000428805756 1072492042 /nfs/dbraw/zinc/49/20/42/1072492042.db2.gz OPAKHJDOQVPYGR-ROUUACIJSA-N 0 0 433.534 -0.262 20 30 IBEDRN N#Cc1ccc(O[C@@H]2CCN(CC(=O)N3CCN([C@H]4CCS(=O)(=O)C4)CC3)C2)nc1 ZINC000428805757 1072492096 /nfs/dbraw/zinc/49/20/96/1072492096.db2.gz OPAKHJDOQVPYGR-ZWKOTPCHSA-N 0 0 433.534 -0.262 20 30 IBEDRN N#Cc1ccc(O[C@H]2CCN(CC(=O)N3CCN(CC(=O)N4CCOCC4)CC3)C2)nc1 ZINC000428822164 1072709911 /nfs/dbraw/zinc/70/99/11/1072709911.db2.gz XOKVLZSYSLKFRO-IBGZPJMESA-N 0 0 442.520 -0.591 20 30 IBEDRN N#Cc1ccc(O[C@@H]2CCN(CC(=O)N3CCN(CC(=O)N4CCOCC4)CC3)C2)nc1 ZINC000428822611 1072718528 /nfs/dbraw/zinc/71/85/28/1072718528.db2.gz XOKVLZSYSLKFRO-LJQANCHMSA-N 0 0 442.520 -0.591 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2-c2ccccc2OC)c(=O)n1C ZINC000429801155 1071388929 /nfs/dbraw/zinc/38/89/29/1071388929.db2.gz LDXUEZHZLWZCKC-UHFFFAOYSA-N 0 0 439.497 -0.093 20 30 IBEDRN CS(=O)(=O)C1(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCOCC1 ZINC000429909330 1071575948 /nfs/dbraw/zinc/57/59/48/1071575948.db2.gz JNNDWWLVBBYHHF-UHFFFAOYSA-N 0 0 441.531 -0.015 20 30 IBEDRN COCCOc1ccc(C#N)cc1NC(=O)C(=O)NCCNS(=O)(=O)NC(C)C ZINC000429930002 1071578973 /nfs/dbraw/zinc/57/89/73/1071578973.db2.gz WOUANRVXWNVIBB-UHFFFAOYSA-N 0 0 427.483 -0.529 20 30 IBEDRN CC(C)NS(=O)(=O)NCCNC(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 ZINC000429931032 1071583238 /nfs/dbraw/zinc/58/32/38/1071583238.db2.gz VXZUBRXHGNHPSV-UHFFFAOYSA-N 0 0 437.457 -0.230 20 30 IBEDRN CC(C)NS(=O)(=O)NCCNC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 ZINC000429961853 1071587385 /nfs/dbraw/zinc/58/73/85/1071587385.db2.gz MFUMUEXFVNKQBR-UHFFFAOYSA-N 0 0 437.457 -0.230 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccnn2-c2nc(C)cc(C)n2)CC1 ZINC000430053144 1071711636 /nfs/dbraw/zinc/71/16/36/1071711636.db2.gz KYQKZVJTNUNWCH-UHFFFAOYSA-N 0 0 426.481 -0.336 20 30 IBEDRN C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN(S(=O)(=O)CCOC(C)C)CC1 ZINC000430377897 1070858683 /nfs/dbraw/zinc/85/86/83/1070858683.db2.gz JSWKNZPGZCBTAO-DLBZAZTESA-N 0 0 431.555 -0.017 20 30 IBEDRN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCN(S(=O)(=O)CCOC(C)C)CC1 ZINC000430377899 1070858873 /nfs/dbraw/zinc/85/88/73/1070858873.db2.gz JSWKNZPGZCBTAO-IAGOWNOFSA-N 0 0 431.555 -0.017 20 30 IBEDRN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN(S(=O)(=O)CCOC(C)C)CC1 ZINC000430377901 1070858741 /nfs/dbraw/zinc/85/87/41/1070858741.db2.gz JSWKNZPGZCBTAO-IRXDYDNUSA-N 0 0 431.555 -0.017 20 30 IBEDRN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCN(S(=O)(=O)CCOC(C)C)CC1 ZINC000430377902 1070858711 /nfs/dbraw/zinc/85/87/11/1070858711.db2.gz JSWKNZPGZCBTAO-SJORKVTESA-N 0 0 431.555 -0.017 20 30 IBEDRN C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 ZINC000430382791 1070859058 /nfs/dbraw/zinc/85/90/58/1070859058.db2.gz DXCNYHGAAMKMEC-DOTOQJQBSA-N 0 0 439.538 -0.341 20 30 IBEDRN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 ZINC000430382792 1070859213 /nfs/dbraw/zinc/85/92/13/1070859213.db2.gz DXCNYHGAAMKMEC-NVXWUHKLSA-N 0 0 439.538 -0.341 20 30 IBEDRN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 ZINC000430382793 1070859547 /nfs/dbraw/zinc/85/95/47/1070859547.db2.gz DXCNYHGAAMKMEC-RDJZCZTQSA-N 0 0 439.538 -0.341 20 30 IBEDRN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 ZINC000430382794 1070859028 /nfs/dbraw/zinc/85/90/28/1070859028.db2.gz DXCNYHGAAMKMEC-WBVHZDCISA-N 0 0 439.538 -0.341 20 30 IBEDRN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000430414731 1070864607 /nfs/dbraw/zinc/86/46/07/1070864607.db2.gz NUXXGDJCAIYGFR-GDBMZVCRSA-N 0 0 426.495 -0.254 20 30 IBEDRN C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000430414732 1070864656 /nfs/dbraw/zinc/86/46/56/1070864656.db2.gz NUXXGDJCAIYGFR-GOEBONIOSA-N 0 0 426.495 -0.254 20 30 IBEDRN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000430414733 1070864763 /nfs/dbraw/zinc/86/47/63/1070864763.db2.gz NUXXGDJCAIYGFR-HOCLYGCPSA-N 0 0 426.495 -0.254 20 30 IBEDRN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000430414734 1070864523 /nfs/dbraw/zinc/86/45/23/1070864523.db2.gz NUXXGDJCAIYGFR-ZBFHGGJFSA-N 0 0 426.495 -0.254 20 30 IBEDRN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 ZINC000430417567 1070865237 /nfs/dbraw/zinc/86/52/37/1070865237.db2.gz WWAXVMHHIGYOTE-BBWFWOEESA-N 0 0 431.555 -0.017 20 30 IBEDRN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 ZINC000430417568 1070865489 /nfs/dbraw/zinc/86/54/89/1070865489.db2.gz WWAXVMHHIGYOTE-IKGGRYGDSA-N 0 0 431.555 -0.017 20 30 IBEDRN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 ZINC000430417569 1070865465 /nfs/dbraw/zinc/86/54/65/1070865465.db2.gz WWAXVMHHIGYOTE-ULQDDVLXSA-N 0 0 431.555 -0.017 20 30 IBEDRN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 ZINC000430417570 1070865101 /nfs/dbraw/zinc/86/51/01/1070865101.db2.gz WWAXVMHHIGYOTE-ZACQAIPSSA-N 0 0 431.555 -0.017 20 30 IBEDRN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000430419777 1070869063 /nfs/dbraw/zinc/86/90/63/1070869063.db2.gz CTFBCYNXYJOKOG-BBWFWOEESA-N 0 0 429.539 -0.263 20 30 IBEDRN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000430419778 1070868930 /nfs/dbraw/zinc/86/89/30/1070868930.db2.gz CTFBCYNXYJOKOG-IKGGRYGDSA-N 0 0 429.539 -0.263 20 30 IBEDRN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000430419779 1070868778 /nfs/dbraw/zinc/86/87/78/1070868778.db2.gz CTFBCYNXYJOKOG-ULQDDVLXSA-N 0 0 429.539 -0.263 20 30 IBEDRN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000430419780 1070868909 /nfs/dbraw/zinc/86/89/09/1070868909.db2.gz CTFBCYNXYJOKOG-ZACQAIPSSA-N 0 0 429.539 -0.263 20 30 IBEDRN CC(C)NS(=O)(=O)NCCNC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O ZINC000430460959 1070895962 /nfs/dbraw/zinc/89/59/62/1070895962.db2.gz TYZGVHJHOOFRGY-HNNXBMFYSA-N 0 0 436.494 -0.288 20 30 IBEDRN CC(C)NS(=O)(=O)NCCNC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O ZINC000430460960 1070896177 /nfs/dbraw/zinc/89/61/77/1070896177.db2.gz TYZGVHJHOOFRGY-OAHLLOKOSA-N 0 0 436.494 -0.288 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)CC1 ZINC000430556208 1070969896 /nfs/dbraw/zinc/96/98/96/1070969896.db2.gz KEVXDRBVQWLZOB-MSOLQXFVSA-N 0 0 433.553 -0.270 20 30 IBEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCN3C(=O)NC[C@H]3C2)CC1 ZINC000430911166 1071017048 /nfs/dbraw/zinc/01/70/48/1071017048.db2.gz GIZVMIHVQDHKIU-INIZCTEOSA-N 0 0 432.506 -0.899 20 30 IBEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCN3C(=O)NC[C@@H]3C2)CC1 ZINC000430911169 1071017215 /nfs/dbraw/zinc/01/72/15/1071017215.db2.gz GIZVMIHVQDHKIU-MRXNPFEDSA-N 0 0 432.506 -0.899 20 30 IBEDRN N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2ccccn2)c(=O)n1C1CCC1 ZINC000430989529 1071024154 /nfs/dbraw/zinc/02/41/54/1071024154.db2.gz MKRRYIKKZGHICZ-UHFFFAOYSA-N 0 0 439.541 -0.019 20 30 IBEDRN N#CC(C(=O)N1CCS(=O)(=O)CC1)=c1sc(=Cc2ccccn2)c(=O)n1C1CCC1 ZINC000430990913 1071023271 /nfs/dbraw/zinc/02/32/71/1071023271.db2.gz PMFJGOHGZLCDMO-UHFFFAOYSA-N 0 0 444.538 -0.210 20 30 IBEDRN Cn1nccc1C=c1sc(=C(C#N)C(=O)NCCN2CCOCC2)n(C2CCC2)c1=O ZINC000431042419 1071026513 /nfs/dbraw/zinc/02/65/13/1071026513.db2.gz HJKZRZNCYAIMOL-UHFFFAOYSA-N 0 0 442.545 -0.680 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(C(=O)NCCCN3CCOCC3)CC2)C1=O ZINC000431337842 1071065032 /nfs/dbraw/zinc/06/50/32/1071065032.db2.gz LMQMOSBFRGXGPF-UHFFFAOYSA-N 0 0 449.508 -0.960 20 30 IBEDRN COCCCS(=O)(=O)NCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000431642218 1071268632 /nfs/dbraw/zinc/26/86/32/1071268632.db2.gz ALHJOQOQBXISSB-UHFFFAOYSA-N 0 0 444.535 -0.653 20 30 IBEDRN COCCCS(=O)(=O)NCC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000431647061 1071271255 /nfs/dbraw/zinc/27/12/55/1071271255.db2.gz GQUVONPUWXRIFN-UHFFFAOYSA-N 0 0 444.535 -0.653 20 30 IBEDRN N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCN(S(=O)(=O)c3cc[nH]n3)CC2)cc1 ZINC000431666422 1071285387 /nfs/dbraw/zinc/28/53/87/1071285387.db2.gz SZAWZLXDFHJKEI-UHFFFAOYSA-N 0 0 437.503 -0.271 20 30 IBEDRN CS(=O)(=O)C1(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCOCC1 ZINC000431670298 1071286869 /nfs/dbraw/zinc/28/68/69/1071286869.db2.gz NOVQQZZFGPXDCO-UHFFFAOYSA-N 0 0 441.531 -0.015 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(N3CCOCC3)nc2C)CC1 ZINC000431706461 1071294587 /nfs/dbraw/zinc/29/45/87/1071294587.db2.gz DQLHLLRBUJYOIE-UHFFFAOYSA-N 0 0 430.509 -0.388 20 30 IBEDRN N#Cc1cc(N2CCN3C(=O)NC[C@@H]3C2)cc(N2CCN3C(=O)NC[C@H]3C2)c1[N+](=O)[O-] ZINC000431815058 1071306411 /nfs/dbraw/zinc/30/64/11/1071306411.db2.gz URFLCJWTSCAAIE-CABCVRRESA-N 0 0 426.437 -0.106 20 30 IBEDRN N#Cc1cc(N2CCN3C(=O)NC[C@H]3C2)cc(N2CCN3C(=O)NC[C@H]3C2)c1[N+](=O)[O-] ZINC000431815061 1071306603 /nfs/dbraw/zinc/30/66/03/1071306603.db2.gz URFLCJWTSCAAIE-GJZGRUSLSA-N 0 0 426.437 -0.106 20 30 IBEDRN N#Cc1cc(N2CCN3C(=O)NC[C@@H]3C2)cc(N2CCN3C(=O)NC[C@@H]3C2)c1[N+](=O)[O-] ZINC000431815064 1071306770 /nfs/dbraw/zinc/30/67/70/1071306770.db2.gz URFLCJWTSCAAIE-HUUCEWRRSA-N 0 0 426.437 -0.106 20 30 IBEDRN N#Cc1cc(N2CCN3C(=O)NC[C@H]3C2)cc(N2CCN3C(=O)NC[C@@H]3C2)c1[N+](=O)[O-] ZINC000431815066 1071306620 /nfs/dbraw/zinc/30/66/20/1071306620.db2.gz URFLCJWTSCAAIE-LSDHHAIUSA-N 0 0 426.437 -0.106 20 30 IBEDRN COc1nc(N2CCN(c3c(C#N)c(=O)n(C)c(=O)n3C)CC2)ncc1Br ZINC000431846460 1071336108 /nfs/dbraw/zinc/33/61/08/1071336108.db2.gz RJYSQKUQZLFWAW-UHFFFAOYSA-N 0 0 436.270 -0.157 20 30 IBEDRN Cc1c(C#N)cccc1NC(=O)C(=O)NC1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000431954905 1071362850 /nfs/dbraw/zinc/36/28/50/1071362850.db2.gz OMFLXFXFRQEPMD-UHFFFAOYSA-N 0 0 435.506 -0.037 20 30 IBEDRN Cc1c(C#N)cccc1NC(=O)C(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000431991957 1071398241 /nfs/dbraw/zinc/39/82/41/1071398241.db2.gz MOGZUADVWGHAOK-UHFFFAOYSA-N 0 0 434.522 -0.558 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H]2CCCN(c3nccn4cnnc34)C2)C1=O ZINC000432083258 1071404454 /nfs/dbraw/zinc/40/44/54/1071404454.db2.gz WIWAAKLRKRUDDK-CYBMUJFWSA-N 0 0 426.437 -0.566 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H]2CCCN(c3nccn4cnnc34)C2)C1=O ZINC000432083259 1071404527 /nfs/dbraw/zinc/40/45/27/1071404527.db2.gz WIWAAKLRKRUDDK-ZDUSSCGKSA-N 0 0 426.437 -0.566 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)NC[C@@H]2CCCN(c3nccn4cnnc34)C2)CC1 ZINC000432332559 1071452814 /nfs/dbraw/zinc/45/28/14/1071452814.db2.gz ZJBVZDIKFDRATN-KRWDZBQOSA-N 0 0 441.540 -0.030 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)NC[C@H]2CCCN(c3nccn4cnnc34)C2)CC1 ZINC000432332560 1071452947 /nfs/dbraw/zinc/45/29/47/1071452947.db2.gz ZJBVZDIKFDRATN-QGZVFWFLSA-N 0 0 441.540 -0.030 20 30 IBEDRN COCCCS(=O)(=O)N1CCN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1 ZINC000432712656 1071494904 /nfs/dbraw/zinc/49/49/04/1071494904.db2.gz FBKAQODWRWAAPC-UHFFFAOYSA-N 0 0 443.547 -0.016 20 30 IBEDRN C=CCNc1ncc(C(=O)N2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)s1 ZINC000433237019 1071573814 /nfs/dbraw/zinc/57/38/14/1071573814.db2.gz ZPMRSVRAGUANFX-CYBMUJFWSA-N 0 0 427.552 -0.198 20 30 IBEDRN C=CCNc1ncc(C(=O)N2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)s1 ZINC000433237020 1071573828 /nfs/dbraw/zinc/57/38/28/1071573828.db2.gz ZPMRSVRAGUANFX-ZDUSSCGKSA-N 0 0 427.552 -0.198 20 30 IBEDRN N#Cc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)c(F)c1 ZINC000433521239 1071598104 /nfs/dbraw/zinc/59/81/04/1071598104.db2.gz SHYFPUABKVTKHT-UHFFFAOYSA-N 0 0 449.420 -0.139 20 30 IBEDRN N#Cc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)c(F)c1 ZINC000433523590 1071598446 /nfs/dbraw/zinc/59/84/46/1071598446.db2.gz CQPNUFDOXIQPOA-UHFFFAOYSA-N 0 0 425.442 -0.643 20 30 IBEDRN CN1CCN(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3ccc(C#N)cc3F)CC2)CC1 ZINC000433533228 1071600044 /nfs/dbraw/zinc/60/00/44/1071600044.db2.gz KGFXHOXGTWVKHQ-UHFFFAOYSA-N 0 0 438.485 -0.728 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2CCO[C@@H](CN3C(=O)c4ccccc4C3=O)C2)C1=O ZINC000433559071 1071614143 /nfs/dbraw/zinc/61/41/43/1071614143.db2.gz FZCVYSOBXGBQTD-CYBMUJFWSA-N 0 0 440.412 -0.513 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2CCO[C@H](CN3C(=O)c4ccccc4C3=O)C2)C1=O ZINC000433559072 1071614227 /nfs/dbraw/zinc/61/42/27/1071614227.db2.gz FZCVYSOBXGBQTD-ZDUSSCGKSA-N 0 0 440.412 -0.513 20 30 IBEDRN C=CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(NS(C)(=O)=O)c(F)c2)CC1 ZINC000433621443 1071616682 /nfs/dbraw/zinc/61/66/82/1071616682.db2.gz IYAANBLEXQZGMV-UHFFFAOYSA-N 0 0 434.515 -0.194 20 30 IBEDRN COC(=O)Cn1cc(CNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)nn1 ZINC000433668936 1071621115 /nfs/dbraw/zinc/62/11/15/1071621115.db2.gz FHJFGNHLSXSZHO-UHFFFAOYSA-N 0 0 447.477 -0.461 20 30 IBEDRN COC(=O)Cn1cc(CNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)nn1 ZINC000433691281 1071623263 /nfs/dbraw/zinc/62/32/63/1071623263.db2.gz SCDIWWKMZXMIRZ-UHFFFAOYSA-N 0 0 447.477 -0.461 20 30 IBEDRN N#Cc1ccsc1N1CC[C@H](N2CCN(S(=O)(=O)N3CCOCC3)CC2)C1=O ZINC000433713993 1071623220 /nfs/dbraw/zinc/62/32/20/1071623220.db2.gz OOUJBMRWLCNDOF-HNNXBMFYSA-N 0 0 425.536 -0.080 20 30 IBEDRN N#Cc1ccsc1N1CC[C@@H](N2CCN(S(=O)(=O)N3CCOCC3)CC2)C1=O ZINC000433713994 1071623231 /nfs/dbraw/zinc/62/32/31/1071623231.db2.gz OOUJBMRWLCNDOF-OAHLLOKOSA-N 0 0 425.536 -0.080 20 30 IBEDRN CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C1 ZINC000433779511 1071626295 /nfs/dbraw/zinc/62/62/95/1071626295.db2.gz LFVHKSJHELNWBI-INIZCTEOSA-N 0 0 445.505 0.065 20 30 IBEDRN CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C1 ZINC000433779512 1071626305 /nfs/dbraw/zinc/62/63/05/1071626305.db2.gz LFVHKSJHELNWBI-MRXNPFEDSA-N 0 0 445.505 0.065 20 30 IBEDRN N#Cc1ccc(S(=O)(=O)N2CCN(CCS(N)(=O)=O)CC2)cc1Br ZINC000433876304 1071632124 /nfs/dbraw/zinc/63/21/24/1071632124.db2.gz ZAZOJOMQFFHTEK-UHFFFAOYSA-N 0 0 437.341 -0.084 20 30 IBEDRN N#CCCn1ccc(NC(=O)C(=O)N2CCO[C@H](CN3C(=O)c4ccccc4C3=O)C2)n1 ZINC000433907850 1071633236 /nfs/dbraw/zinc/63/32/36/1071633236.db2.gz MIQRYCAEGJUKFU-AWEZNQCLSA-N 0 0 436.428 0.259 20 30 IBEDRN N#CCCn1ccc(NC(=O)C(=O)N2CCO[C@@H](CN3C(=O)c4ccccc4C3=O)C2)n1 ZINC000433907851 1071633159 /nfs/dbraw/zinc/63/31/59/1071633159.db2.gz MIQRYCAEGJUKFU-CQSZACIVSA-N 0 0 436.428 0.259 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)N(C)Cc2nnnn2-c2cc(OC)cc(OC)c2)C1=O ZINC000434173947 1071714672 /nfs/dbraw/zinc/71/46/72/1071714672.db2.gz NVGWLTXADKEPCV-UHFFFAOYSA-N 0 0 443.420 -0.385 20 30 IBEDRN CN(CCN(Cc1ccccc1)C(=O)Cn1cnc(C#N)n1)C(=O)Cn1cnc(C#N)n1 ZINC000434469140 1071782345 /nfs/dbraw/zinc/78/23/45/1071782345.db2.gz HRCNSTORAOZESO-UHFFFAOYSA-N 0 0 432.448 -0.200 20 30 IBEDRN Cn1cc(S(=O)(=O)NCCN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cn1 ZINC000434546250 1071785318 /nfs/dbraw/zinc/78/53/18/1071785318.db2.gz FSOPOAGYCHJCEU-UHFFFAOYSA-N 0 0 438.535 -0.423 20 30 IBEDRN COCCNS(=O)(=O)c1cc(NC(=O)C(=O)N2CCO[C@H](C#N)C2)ccc1OC ZINC000434579677 1071788492 /nfs/dbraw/zinc/78/84/92/1071788492.db2.gz CAMBZRLKFUYBMU-CYBMUJFWSA-N 0 0 426.451 -0.691 20 30 IBEDRN COCCNS(=O)(=O)c1cc(NC(=O)C(=O)N2CCO[C@@H](C#N)C2)ccc1OC ZINC000434579678 1071788466 /nfs/dbraw/zinc/78/84/66/1071788466.db2.gz CAMBZRLKFUYBMU-ZDUSSCGKSA-N 0 0 426.451 -0.691 20 30 IBEDRN CN1CCN(S(=O)(=O)N2CCN([C@H]3CCN(c4sccc4C#N)C3=O)CC2)CC1 ZINC000434685459 1071795135 /nfs/dbraw/zinc/79/51/35/1071795135.db2.gz NYORDIHUGALEHM-INIZCTEOSA-N 0 0 438.579 -0.165 20 30 IBEDRN CN1CCN(S(=O)(=O)N2CCN([C@@H]3CCN(c4sccc4C#N)C3=O)CC2)CC1 ZINC000434685460 1071795113 /nfs/dbraw/zinc/79/51/13/1071795113.db2.gz NYORDIHUGALEHM-MRXNPFEDSA-N 0 0 438.579 -0.165 20 30 IBEDRN CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000434762526 1071806691 /nfs/dbraw/zinc/80/66/91/1071806691.db2.gz HJUXDSFTGNLRCE-UHFFFAOYSA-N 0 0 444.492 -0.417 20 30 IBEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CC(=O)N(CC3CC3)C2)CC1 ZINC000434782041 1071807517 /nfs/dbraw/zinc/80/75/17/1071807517.db2.gz DXCZSQTVLJROAW-UHFFFAOYSA-N 0 0 431.518 -0.097 20 30 IBEDRN CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC000434939447 1071825097 /nfs/dbraw/zinc/82/50/97/1071825097.db2.gz RQDMHLAKJALGLI-UHFFFAOYSA-N 0 0 442.476 -0.127 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(C(N)=O)c(OC(C)C)c2)CC1 ZINC000434939771 1071825070 /nfs/dbraw/zinc/82/50/70/1071825070.db2.gz UVPNNYWGDTYIDF-UHFFFAOYSA-N 0 0 431.493 -0.042 20 30 IBEDRN COC(=O)[C@H](c1cccc(C#N)c1)N1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC000435058973 1071835340 /nfs/dbraw/zinc/83/53/40/1071835340.db2.gz GMRWMESUXXHKNQ-HKUYNNGSSA-N 0 0 434.518 -0.307 20 30 IBEDRN COC(=O)[C@@H](c1cccc(C#N)c1)N1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000435058974 1071835084 /nfs/dbraw/zinc/83/50/84/1071835084.db2.gz GMRWMESUXXHKNQ-IEBWSBKVSA-N 0 0 434.518 -0.307 20 30 IBEDRN COC(=O)[C@H](c1cccc(C#N)c1)N1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000435058976 1071835422 /nfs/dbraw/zinc/83/54/22/1071835422.db2.gz GMRWMESUXXHKNQ-MJGOQNOKSA-N 0 0 434.518 -0.307 20 30 IBEDRN COC(=O)[C@@H](c1cccc(C#N)c1)N1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC000435058977 1071835109 /nfs/dbraw/zinc/83/51/09/1071835109.db2.gz GMRWMESUXXHKNQ-PKOBYXMFSA-N 0 0 434.518 -0.307 20 30 IBEDRN C=CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)N[C@H]2CCOC2)c1 ZINC000435107707 1071839198 /nfs/dbraw/zinc/83/91/98/1071839198.db2.gz VSPXNLQFLUJJDB-KBPBESRZSA-N 0 0 427.479 -0.246 20 30 IBEDRN C=CC[C@H](CO)NC(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)N[C@H]2CCOC2)c1 ZINC000435107708 1071839307 /nfs/dbraw/zinc/83/93/07/1071839307.db2.gz VSPXNLQFLUJJDB-KGLIPLIRSA-N 0 0 427.479 -0.246 20 30 IBEDRN C=CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)N[C@@H]2CCOC2)c1 ZINC000435107709 1071839313 /nfs/dbraw/zinc/83/93/13/1071839313.db2.gz VSPXNLQFLUJJDB-UONOGXRCSA-N 0 0 427.479 -0.246 20 30 IBEDRN C=CC[C@H](CO)NC(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)N[C@@H]2CCOC2)c1 ZINC000435107710 1071839464 /nfs/dbraw/zinc/83/94/64/1071839464.db2.gz VSPXNLQFLUJJDB-ZIAGYGMSSA-N 0 0 427.479 -0.246 20 30 IBEDRN CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C)C2 ZINC000435312793 1071860659 /nfs/dbraw/zinc/86/06/59/1071860659.db2.gz BOHNRXONYHUEQY-UHFFFAOYSA-N 0 0 442.480 -0.458 20 30 IBEDRN N#Cc1cc(F)ccc1NC(=O)C(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000435626741 1071877974 /nfs/dbraw/zinc/87/79/74/1071877974.db2.gz KLLMCMRBVCXZRY-UHFFFAOYSA-N 0 0 425.442 -0.643 20 30 IBEDRN N#Cc1cc(F)ccc1NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 ZINC000435628854 1071878088 /nfs/dbraw/zinc/87/80/88/1071878088.db2.gz VWUSZHBSWBHSEI-UHFFFAOYSA-N 0 0 449.420 -0.139 20 30 IBEDRN CN1CCN(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3ccc(F)cc3C#N)CC2)CC1 ZINC000435653567 1071879406 /nfs/dbraw/zinc/87/94/06/1071879406.db2.gz GPXFDRNAAUDPPR-UHFFFAOYSA-N 0 0 438.485 -0.728 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)NCCNS(=O)(=O)c2ccc(C)s2)CC1 ZINC000435763490 1071882509 /nfs/dbraw/zinc/88/25/09/1071882509.db2.gz WCHXWRQZLCRTIQ-UHFFFAOYSA-N 0 0 429.568 -0.036 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)NCCN(C)S(=O)(=O)c2cccs2)CC1 ZINC000435788452 1071883809 /nfs/dbraw/zinc/88/38/09/1071883809.db2.gz FCHJJNMAHDOUIE-UHFFFAOYSA-N 0 0 429.568 -0.002 20 30 IBEDRN CC(C)Oc1ccc(NC(=O)C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)cc1C#N ZINC000435852067 1071888120 /nfs/dbraw/zinc/88/81/20/1071888120.db2.gz SUVFVTMYSOOZAL-UHFFFAOYSA-N 0 0 426.437 -0.359 20 30 IBEDRN C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(c2c[nH]c(=O)nc2N)CC1 ZINC000435890990 1073358714 /nfs/dbraw/zinc/35/87/14/1073358714.db2.gz BKZJKUAHNKPVTM-GFCCVEGCSA-N 0 0 431.478 -0.348 20 30 IBEDRN C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(c2c[nH]c(=O)nc2N)CC1 ZINC000435890992 1073360952 /nfs/dbraw/zinc/36/09/52/1073360952.db2.gz BKZJKUAHNKPVTM-LBPRGKRZSA-N 0 0 431.478 -0.348 20 30 IBEDRN C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(c2c[nH]c(=O)nc2N)CC1 ZINC000435897282 1071889377 /nfs/dbraw/zinc/88/93/77/1071889377.db2.gz LYKJOHYSHUZWFU-GFCCVEGCSA-N 0 0 431.478 -0.348 20 30 IBEDRN C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(c2c[nH]c(=O)nc2N)CC1 ZINC000435897283 1073360825 /nfs/dbraw/zinc/36/08/25/1073360825.db2.gz LYKJOHYSHUZWFU-LBPRGKRZSA-N 0 0 431.478 -0.348 20 30 IBEDRN C=CCOC[C@H](NC(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)OC ZINC000435933892 1071890562 /nfs/dbraw/zinc/89/05/62/1071890562.db2.gz HAJHBNRNPDBNGL-FPCVCCKLSA-N 0 0 430.523 -0.044 20 30 IBEDRN C=CCOC[C@H](NC(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)OC ZINC000435933895 1071890571 /nfs/dbraw/zinc/89/05/71/1071890571.db2.gz HAJHBNRNPDBNGL-JJXSEGSLSA-N 0 0 430.523 -0.044 20 30 IBEDRN C=CCOC[C@H](NC(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)OC ZINC000435933896 1071890595 /nfs/dbraw/zinc/89/05/95/1071890595.db2.gz HAJHBNRNPDBNGL-JONQDZQNSA-N 0 0 430.523 -0.044 20 30 IBEDRN C=CCOC[C@H](NC(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)OC ZINC000435933897 1071890530 /nfs/dbraw/zinc/89/05/30/1071890530.db2.gz HAJHBNRNPDBNGL-QXSJWSMHSA-N 0 0 430.523 -0.044 20 30 IBEDRN C=CCOC[C@@H](NC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1)C(=O)OC ZINC000435935067 1071890495 /nfs/dbraw/zinc/89/04/95/1071890495.db2.gz ITWVMUOGXHPFOK-BMFZPTHFSA-N 0 0 430.454 -0.190 20 30 IBEDRN C=CCOC[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1)C(=O)OC ZINC000435935072 1071890584 /nfs/dbraw/zinc/89/05/84/1071890584.db2.gz ITWVMUOGXHPFOK-KBMXLJTQSA-N 0 0 430.454 -0.190 20 30 IBEDRN C=CCOC[C@H](NC(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1)C(=O)OC ZINC000435948565 1071891218 /nfs/dbraw/zinc/89/12/18/1071891218.db2.gz IYRKFYBNHDLVMH-HNNXBMFYSA-N 0 0 427.479 -0.355 20 30 IBEDRN C=CCOC[C@@H](NC(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1)C(=O)OC ZINC000435948566 1071891800 /nfs/dbraw/zinc/89/18/00/1071891800.db2.gz IYRKFYBNHDLVMH-OAHLLOKOSA-N 0 0 427.479 -0.355 20 30 IBEDRN C=CCOC[C@H](NC(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1)C(=O)OC ZINC000435949848 1071891769 /nfs/dbraw/zinc/89/17/69/1071891769.db2.gz NWSNVLCMPRJQDV-DOMZBBRYSA-N 0 0 425.463 -0.453 20 30 IBEDRN C=CCOC[C@@H](NC(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1)C(=O)OC ZINC000435949849 1071891760 /nfs/dbraw/zinc/89/17/60/1071891760.db2.gz NWSNVLCMPRJQDV-IUODEOHRSA-N 0 0 425.463 -0.453 20 30 IBEDRN C=CCOC[C@@H](NC(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1)C(=O)OC ZINC000435949850 1071891789 /nfs/dbraw/zinc/89/17/89/1071891789.db2.gz NWSNVLCMPRJQDV-SWLSCSKDSA-N 0 0 425.463 -0.453 20 30 IBEDRN C=CCOC[C@H](NC(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1)C(=O)OC ZINC000435949851 1071891752 /nfs/dbraw/zinc/89/17/52/1071891752.db2.gz NWSNVLCMPRJQDV-WFASDCNBSA-N 0 0 425.463 -0.453 20 30 IBEDRN N#C[C@H]1CN(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)CCO1 ZINC000436121610 1071899211 /nfs/dbraw/zinc/89/92/11/1071899211.db2.gz JDFLBOVPCWSADA-HNNXBMFYSA-N 0 0 436.490 -0.485 20 30 IBEDRN N#C[C@@H]1CN(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)CCO1 ZINC000436121611 1071899048 /nfs/dbraw/zinc/89/90/48/1071899048.db2.gz JDFLBOVPCWSADA-OAHLLOKOSA-N 0 0 436.490 -0.485 20 30 IBEDRN COc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCO[C@@H](C#N)C3)CC2)cc1OC ZINC000436135315 1071900230 /nfs/dbraw/zinc/90/02/30/1071900230.db2.gz WFBHMDAZSUYFNZ-HNNXBMFYSA-N 0 0 438.506 -0.239 20 30 IBEDRN COc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCO[C@H](C#N)C3)CC2)cc1OC ZINC000436135317 1071900538 /nfs/dbraw/zinc/90/05/38/1071900538.db2.gz WFBHMDAZSUYFNZ-OAHLLOKOSA-N 0 0 438.506 -0.239 20 30 IBEDRN COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)CN3CCO[C@@H](C#N)C3)CC2)c1 ZINC000436139273 1071900548 /nfs/dbraw/zinc/90/05/48/1071900548.db2.gz YAYXCQQYXFCBCH-INIZCTEOSA-N 0 0 438.506 -0.239 20 30 IBEDRN COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)CN3CCO[C@H](C#N)C3)CC2)c1 ZINC000436139276 1071900325 /nfs/dbraw/zinc/90/03/25/1071900325.db2.gz YAYXCQQYXFCBCH-MRXNPFEDSA-N 0 0 438.506 -0.239 20 30 IBEDRN N#Cc1cnn(-c2ccccc2)c1NC(=O)CN1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC000436217675 1071902541 /nfs/dbraw/zinc/90/25/41/1071902541.db2.gz JDANLYJCDFSKFL-UHFFFAOYSA-N 0 0 449.471 -0.024 20 30 IBEDRN CS(=O)(=O)N1CCN(c2ccc(C#N)c(N3CCN(S(C)(=O)=O)CC3)n2)CC1 ZINC000436276485 1071905146 /nfs/dbraw/zinc/90/51/46/1071905146.db2.gz UDUVQMWFGXGGRF-UHFFFAOYSA-N 0 0 428.540 -0.884 20 30 IBEDRN CCNC(=O)CN1CCN(c2ccc(C#N)c(N3CCN(CC(=O)NCC)CC3)n2)CC1 ZINC000436309642 1071906876 /nfs/dbraw/zinc/90/68/76/1071906876.db2.gz GFOMXABTMQHAHY-UHFFFAOYSA-N 0 0 442.568 -0.531 20 30 IBEDRN CNC(=O)CN1CCC(Nc2ccc(C#N)c(NC3CCN(CC(=O)NC)CC3)n2)CC1 ZINC000436312187 1073312740 /nfs/dbraw/zinc/31/27/40/1073312740.db2.gz VHKSGELXHHLZGH-UHFFFAOYSA-N 0 0 442.568 0.198 20 30 IBEDRN CN(C[C@H](O)CN1CCOCC1)c1ccc(C#N)c(N(C)C[C@H](O)CN2CCOCC2)n1 ZINC000436397543 1071910100 /nfs/dbraw/zinc/91/01/00/1071910100.db2.gz OOYQBFOITKAPDI-PMACEKPBSA-N 0 0 448.568 -0.788 20 30 IBEDRN CN(C[C@H](O)CN1CCOCC1)c1nc(N(C)C[C@@H](O)CN2CCOCC2)ccc1C#N ZINC000436397544 1071909816 /nfs/dbraw/zinc/90/98/16/1071909816.db2.gz OOYQBFOITKAPDI-UXHICEINSA-N 0 0 448.568 -0.788 20 30 IBEDRN CN(C[C@H](O)CN1CCOCC1)c1ccc(C#N)c(N(C)C[C@@H](O)CN2CCOCC2)n1 ZINC000436397545 1071909926 /nfs/dbraw/zinc/90/99/26/1071909926.db2.gz OOYQBFOITKAPDI-VQTJNVASSA-N 0 0 448.568 -0.788 20 30 IBEDRN CN(C[C@@H](O)CN1CCOCC1)c1ccc(C#N)c(N(C)C[C@@H](O)CN2CCOCC2)n1 ZINC000436397546 1071909902 /nfs/dbraw/zinc/90/99/02/1071909902.db2.gz OOYQBFOITKAPDI-WOJBJXKFSA-N 0 0 448.568 -0.788 20 30 IBEDRN C[C@@](O)(CNc1nc(NC[C@](C)(O)CN2CCOCC2)ccc1C#N)CN1CCOCC1 ZINC000436404389 1071910423 /nfs/dbraw/zinc/91/04/23/1071910423.db2.gz MADODWGPUJQOKT-FCHUYYIVSA-N 0 0 448.568 -0.057 20 30 IBEDRN C[C@@](O)(CNc1ccc(C#N)c(NC[C@@](C)(O)CN2CCOCC2)n1)CN1CCOCC1 ZINC000436404390 1071910808 /nfs/dbraw/zinc/91/08/08/1071910808.db2.gz MADODWGPUJQOKT-FGZHOGPDSA-N 0 0 448.568 -0.057 20 30 IBEDRN C[C@](O)(CNc1ccc(C#N)c(NC[C@](C)(O)CN2CCOCC2)n1)CN1CCOCC1 ZINC000436404391 1071910403 /nfs/dbraw/zinc/91/04/03/1071910403.db2.gz MADODWGPUJQOKT-VXKWHMMOSA-N 0 0 448.568 -0.057 20 30 IBEDRN C[C@@](O)(CNc1ccc(C#N)c(NC[C@](C)(O)CN2CCOCC2)n1)CN1CCOCC1 ZINC000436404392 1073308236 /nfs/dbraw/zinc/30/82/36/1073308236.db2.gz MADODWGPUJQOKT-YADHBBJMSA-N 0 0 448.568 -0.057 20 30 IBEDRN CC(C)(C(N)=O)N1CCN(c2ccc(C#N)c(N3CCN(C(C)(C)C(N)=O)CC3)n2)CC1 ZINC000436404641 1071910781 /nfs/dbraw/zinc/91/07/81/1071910781.db2.gz FQNFYQVTEYCRLS-UHFFFAOYSA-N 0 0 442.568 -0.275 20 30 IBEDRN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000436577438 1071919777 /nfs/dbraw/zinc/91/97/77/1071919777.db2.gz RYUCJORWDADNNM-ZDUSSCGKSA-N 0 0 431.478 -0.122 20 30 IBEDRN N#Cc1ccc(Cn2cnc(NC(=O)C(=O)NCCNC(=O)c3ccc(O)cc3)n2)cc1 ZINC000436743149 1071928012 /nfs/dbraw/zinc/92/80/12/1071928012.db2.gz XCXHXSPZQSFZES-UHFFFAOYSA-N 0 0 433.428 0.388 20 30 IBEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N(C)CC(=O)N2CCOCC2)cc1 ZINC000437166154 1071949623 /nfs/dbraw/zinc/94/96/23/1071949623.db2.gz YDNWECIJAGFJEE-UHFFFAOYSA-N 0 0 438.506 -0.251 20 30 IBEDRN N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)N(CCO)CCN2CCOCC2)n1 ZINC000437246964 1073311731 /nfs/dbraw/zinc/31/17/31/1073311731.db2.gz BIXFUUQPSKDDDF-UHFFFAOYSA-N 0 0 446.895 0.489 20 30 IBEDRN N#Cc1ccc(-n2ccc(NC(=O)C(=O)N(CCO)CCN3CCOCC3)n2)c(Cl)c1 ZINC000437254015 1071953686 /nfs/dbraw/zinc/95/36/86/1071953686.db2.gz VSFUZSIHSKMQHR-UHFFFAOYSA-N 0 0 446.895 0.489 20 30 IBEDRN N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N(CCO)CCN2CCOCC2)n1 ZINC000437264991 1071954307 /nfs/dbraw/zinc/95/43/07/1071954307.db2.gz GSJKNZOPAWILGT-UHFFFAOYSA-N 0 0 430.440 -0.025 20 30 IBEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@H](S(N)(=O)=O)C2)cc1 ZINC000437350903 1071960564 /nfs/dbraw/zinc/96/05/64/1071960564.db2.gz WSDMBMHDDNWXDA-HNNXBMFYSA-N 0 0 444.535 -0.289 20 30 IBEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@@H](S(N)(=O)=O)C2)cc1 ZINC000437350905 1071961000 /nfs/dbraw/zinc/96/10/00/1071961000.db2.gz WSDMBMHDDNWXDA-OAHLLOKOSA-N 0 0 444.535 -0.289 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)NCCN(C)S(=O)(=O)c2ccc(F)cc2)C1=O ZINC000437505249 1071968474 /nfs/dbraw/zinc/96/84/74/1071968474.db2.gz OGDVMTZNSRCKAV-UHFFFAOYSA-N 0 0 426.426 -0.461 20 30 IBEDRN COC(=O)[C@@H](O)C1CCN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)CC1 ZINC000438256372 1072002117 /nfs/dbraw/zinc/00/21/17/1072002117.db2.gz PLODHUTVWKDYDC-INIZCTEOSA-N 0 0 426.433 -0.091 20 30 IBEDRN COC(=O)[C@H](O)C1CCN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)CC1 ZINC000438256375 1072002136 /nfs/dbraw/zinc/00/21/36/1072002136.db2.gz PLODHUTVWKDYDC-MRXNPFEDSA-N 0 0 426.433 -0.091 20 30 IBEDRN C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)Nc3ccn(CCC#N)n3)CC2)C[C@H](C)O1 ZINC000438304407 1073304783 /nfs/dbraw/zinc/30/47/83/1073304783.db2.gz LNTMEOAOICPTMS-GASCZTMLSA-N 0 0 425.515 0.300 20 30 IBEDRN C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)Nc3ccn(CCC#N)n3)CC2)C[C@H](C)O1 ZINC000438304408 1073314384 /nfs/dbraw/zinc/31/43/84/1073314384.db2.gz LNTMEOAOICPTMS-GJZGRUSLSA-N 0 0 425.515 0.300 20 30 IBEDRN C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)Nc3ccn(CCC#N)n3)CC2)C[C@@H](C)O1 ZINC000438304409 1073304904 /nfs/dbraw/zinc/30/49/04/1073304904.db2.gz LNTMEOAOICPTMS-HUUCEWRRSA-N 0 0 425.515 0.300 20 30 IBEDRN N#CCCn1ccc(NC(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)n1 ZINC000438324958 1072005355 /nfs/dbraw/zinc/00/53/55/1072005355.db2.gz GJLGGWLBRHJPJX-UHFFFAOYSA-N 0 0 432.510 0.465 20 30 IBEDRN COC(=O)Cn1ccc(NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n1 ZINC000438339243 1072006269 /nfs/dbraw/zinc/00/62/69/1072006269.db2.gz MQWNKKFINHPJFZ-UHFFFAOYSA-N 0 0 432.462 0.466 20 30 IBEDRN COC(=O)Cn1ccc(NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 ZINC000438355107 1072008287 /nfs/dbraw/zinc/00/82/87/1072008287.db2.gz HNCONVGEENMXHA-UHFFFAOYSA-N 0 0 432.462 0.466 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(CCS(C)(=O)=O)cc2)CC1 ZINC000438418761 1072009623 /nfs/dbraw/zinc/00/96/23/1072009623.db2.gz IGGKGHWDGGTANA-UHFFFAOYSA-N 0 0 436.534 -0.341 20 30 IBEDRN N#CCCn1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)n1 ZINC000438441196 1073311265 /nfs/dbraw/zinc/31/12/65/1073311265.db2.gz XIUHLMIXZNEMNW-UHFFFAOYSA-N 0 0 434.453 0.407 20 30 IBEDRN CC[C@H](NC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1)C(=O)N1CCOCC1 ZINC000438749937 1072023658 /nfs/dbraw/zinc/02/36/58/1072023658.db2.gz XAKFTEUMFNBXET-INIZCTEOSA-N 0 0 425.449 -0.110 20 30 IBEDRN CC[C@@H](NC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1)C(=O)N1CCOCC1 ZINC000438749940 1072023569 /nfs/dbraw/zinc/02/35/69/1072023569.db2.gz XAKFTEUMFNBXET-MRXNPFEDSA-N 0 0 425.449 -0.110 20 30 IBEDRN Cc1c(C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)cnc2c1c(=O)n(C)c(=O)n2C ZINC000438925231 1072424836 /nfs/dbraw/zinc/42/48/36/1072424836.db2.gz JMORMMWEQBLZAE-GFCCVEGCSA-N 0 0 434.460 -0.047 20 30 IBEDRN Cc1c(C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)cnc2c1c(=O)n(C)c(=O)n2C ZINC000438925232 1072428521 /nfs/dbraw/zinc/42/85/21/1072428521.db2.gz JMORMMWEQBLZAE-LBPRGKRZSA-N 0 0 434.460 -0.047 20 30 IBEDRN N#CCCN(CC1CC1)C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000439322023 1072071860 /nfs/dbraw/zinc/07/18/60/1072071860.db2.gz GAYFJUKGLRQTLD-UHFFFAOYSA-N 0 0 433.490 -0.102 20 30 IBEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC(S(N)(=O)=O)CC2)cc1 ZINC000439382361 1072075994 /nfs/dbraw/zinc/07/59/94/1072075994.db2.gz PQHQZDNYBREBTC-UHFFFAOYSA-N 0 0 444.535 -0.289 20 30 IBEDRN N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N2CCC(CS(N)(=O)=O)CC2)n1 ZINC000439385642 1073311822 /nfs/dbraw/zinc/31/18/22/1073311822.db2.gz VVGIAXRNFFGCKS-UHFFFAOYSA-N 0 0 434.453 0.349 20 30 IBEDRN N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3CCC(CS(N)(=O)=O)CC3)n2)c(F)c1 ZINC000439413835 1072079402 /nfs/dbraw/zinc/07/94/02/1072079402.db2.gz YUZFNGVGPJQTES-UHFFFAOYSA-N 0 0 434.453 0.349 20 30 IBEDRN COC(=O)[C@@H]1CS(=O)(=O)CCN1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 ZINC000439443719 1072080820 /nfs/dbraw/zinc/08/08/20/1072080820.db2.gz UBLXTUVCKKDPBW-CABCVRRESA-N 0 0 440.547 -0.271 20 30 IBEDRN COC(=O)[C@@H]1CS(=O)(=O)CCN1CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 ZINC000439443723 1072080593 /nfs/dbraw/zinc/08/05/93/1072080593.db2.gz UBLXTUVCKKDPBW-GJZGRUSLSA-N 0 0 440.547 -0.271 20 30 IBEDRN COC(=O)[C@H]1CS(=O)(=O)CCN1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 ZINC000439443727 1072081176 /nfs/dbraw/zinc/08/11/76/1072081176.db2.gz UBLXTUVCKKDPBW-HUUCEWRRSA-N 0 0 440.547 -0.271 20 30 IBEDRN COC(=O)[C@H]1CS(=O)(=O)CCN1CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 ZINC000439443732 1072081156 /nfs/dbraw/zinc/08/11/56/1072081156.db2.gz UBLXTUVCKKDPBW-LSDHHAIUSA-N 0 0 440.547 -0.271 20 30 IBEDRN Cc1nnc(N2CCN(C(=O)C(=O)Nc3nn(C(C)C)cc3C#N)CC2)c(C(N)=O)c1C ZINC000439569862 1072086907 /nfs/dbraw/zinc/08/69/07/1072086907.db2.gz JHZLRRDITZUXLX-UHFFFAOYSA-N 0 0 439.480 0.129 20 30 IBEDRN CN1CCN(S(=O)(=O)N2CCN(S(=O)(=O)Cc3ccc(C#N)cc3F)CC2)CC1 ZINC000440062115 1072118914 /nfs/dbraw/zinc/11/89/14/1072118914.db2.gz NQMNUQIMKGQECU-UHFFFAOYSA-N 0 0 445.542 -0.363 20 30 IBEDRN C=CCn1c2nnc(SCC(=O)NCCS(=O)(=O)NC)n2c2ccccc2c1=O ZINC000440168035 1072125540 /nfs/dbraw/zinc/12/55/40/1072125540.db2.gz DUTKFUOSJLHGHJ-UHFFFAOYSA-N 0 0 436.519 -0.012 20 30 IBEDRN C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ncn(CC(=O)N3CCCCCC3)n2)C1=O ZINC000440262502 1072131038 /nfs/dbraw/zinc/13/10/38/1072131038.db2.gz XOPHWZZCCRRMBP-HNNXBMFYSA-N 0 0 431.497 -0.136 20 30 IBEDRN C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ncn(CC(=O)N3CCCCCC3)n2)C1=O ZINC000440262511 1072130982 /nfs/dbraw/zinc/13/09/82/1072130982.db2.gz XOPHWZZCCRRMBP-OAHLLOKOSA-N 0 0 431.497 -0.136 20 30 IBEDRN C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ncn(Cc3ncc(C)c(OC)c3C)n2)C1=O ZINC000440263464 1072131011 /nfs/dbraw/zinc/13/10/11/1072131011.db2.gz BRCQQWHIUOKSGE-INIZCTEOSA-N 0 0 441.492 0.531 20 30 IBEDRN C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ncn(Cc3ncc(C)c(OC)c3C)n2)C1=O ZINC000440263467 1072130995 /nfs/dbraw/zinc/13/09/95/1072130995.db2.gz BRCQQWHIUOKSGE-MRXNPFEDSA-N 0 0 441.492 0.531 20 30 IBEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@H](S(N)(=O)=O)C2)cc1 ZINC000440266047 1072131896 /nfs/dbraw/zinc/13/18/96/1072131896.db2.gz IYNDCIOJTFRBFG-AWEZNQCLSA-N 0 0 430.508 -0.679 20 30 IBEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@@H](S(N)(=O)=O)C2)cc1 ZINC000440266050 1072131817 /nfs/dbraw/zinc/13/18/17/1072131817.db2.gz IYNDCIOJTFRBFG-CQSZACIVSA-N 0 0 430.508 -0.679 20 30 IBEDRN C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(S(=O)(=O)NCCOC)cc2)C1=O ZINC000440272648 1072132414 /nfs/dbraw/zinc/13/24/14/1072132414.db2.gz NWNUJONWYKBXKC-INIZCTEOSA-N 0 0 438.506 -0.205 20 30 IBEDRN C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(S(=O)(=O)NCCOC)cc2)C1=O ZINC000440272654 1072132354 /nfs/dbraw/zinc/13/23/54/1072132354.db2.gz NWNUJONWYKBXKC-MRXNPFEDSA-N 0 0 438.506 -0.205 20 30 IBEDRN C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2cnn(CC(=O)N3C[C@@H](C)O[C@@H](C)C3)c2)C1=O ZINC000440282700 1072133777 /nfs/dbraw/zinc/13/37/77/1072133777.db2.gz MTTFSSPHXUIGJM-HLLBOEOZSA-N 0 0 446.508 -0.297 20 30 IBEDRN C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2cnn(CC(=O)N3C[C@@H](C)O[C@H](C)C3)c2)C1=O ZINC000440282705 1072133795 /nfs/dbraw/zinc/13/37/95/1072133795.db2.gz MTTFSSPHXUIGJM-INMHGKMJSA-N 0 0 446.508 -0.297 20 30 IBEDRN C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2cnn(CC(=O)N3C[C@@H](C)O[C@@H](C)C3)c2)C1=O ZINC000440282708 1072133801 /nfs/dbraw/zinc/13/38/01/1072133801.db2.gz MTTFSSPHXUIGJM-UXLLHSPISA-N 0 0 446.508 -0.297 20 30 IBEDRN C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2cnn(CC(=O)N3C[C@H](C)O[C@@H](C)C3)c2)C1=O ZINC000440282711 1072133775 /nfs/dbraw/zinc/13/37/75/1072133775.db2.gz MTTFSSPHXUIGJM-ZOBUZTSGSA-N 0 0 446.508 -0.297 20 30 IBEDRN C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(CC(=O)NCC(=O)OC)cc2)C1=O ZINC000440286346 1072134176 /nfs/dbraw/zinc/13/41/76/1072134176.db2.gz WVVLCRYXYDICRN-INIZCTEOSA-N 0 0 430.461 -0.298 20 30 IBEDRN C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(CC(=O)NCC(=O)OC)cc2)C1=O ZINC000440286348 1072134210 /nfs/dbraw/zinc/13/42/10/1072134210.db2.gz WVVLCRYXYDICRN-MRXNPFEDSA-N 0 0 430.461 -0.298 20 30 IBEDRN C=CCN(CC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 ZINC000440297786 1072135773 /nfs/dbraw/zinc/13/57/73/1072135773.db2.gz OHQOCCDUSDFMNP-BBWFWOEESA-N 0 0 434.580 -0.144 20 30 IBEDRN C=CCN(CC(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000440297787 1072136295 /nfs/dbraw/zinc/13/62/95/1072136295.db2.gz OHQOCCDUSDFMNP-IKGGRYGDSA-N 0 0 434.580 -0.144 20 30 IBEDRN C=CCN(CC(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 ZINC000440297788 1072136306 /nfs/dbraw/zinc/13/63/06/1072136306.db2.gz OHQOCCDUSDFMNP-ULQDDVLXSA-N 0 0 434.580 -0.144 20 30 IBEDRN C=CCN(CC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000440297789 1072136273 /nfs/dbraw/zinc/13/62/73/1072136273.db2.gz OHQOCCDUSDFMNP-ZACQAIPSSA-N 0 0 434.580 -0.144 20 30 IBEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1CCN1CCOCC1 ZINC000440371643 1072141041 /nfs/dbraw/zinc/14/10/41/1072141041.db2.gz AMJHLYNUFZDWOI-UHFFFAOYSA-N 0 0 441.513 -0.264 20 30 IBEDRN Cc1ccoc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(CCN2CCOCC2)c1=O ZINC000440371654 1072140991 /nfs/dbraw/zinc/14/09/91/1072140991.db2.gz APFOKCIFJZOMIX-UHFFFAOYSA-N 0 0 428.514 -0.075 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2occc2C)c(=O)n1CCN1CCOCC1 ZINC000440371781 1072140998 /nfs/dbraw/zinc/14/09/98/1072140998.db2.gz CPUACLDIZFKVPU-UHFFFAOYSA-N 0 0 446.529 -0.591 20 30 IBEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2occc2C)c(=O)n1CCN1CCOCC1 ZINC000440373985 1072141899 /nfs/dbraw/zinc/14/18/99/1072141899.db2.gz JRMRZEAWUCYTCX-UHFFFAOYSA-N 0 0 428.514 -0.051 20 30 IBEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@H]2CS(N)(=O)=O)cc1 ZINC000440374811 1072141904 /nfs/dbraw/zinc/14/19/04/1072141904.db2.gz MHNFAWREDIHUHC-AWEZNQCLSA-N 0 0 444.535 -0.289 20 30 IBEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@@H]2CS(N)(=O)=O)cc1 ZINC000440374813 1072141897 /nfs/dbraw/zinc/14/18/97/1072141897.db2.gz MHNFAWREDIHUHC-CQSZACIVSA-N 0 0 444.535 -0.289 20 30 IBEDRN CCn1cc(-n2c(=O)c(=Cc3ccc(C#N)o3)sc2=C(C#N)C(=O)NCCOC)cn1 ZINC000440375525 1072141886 /nfs/dbraw/zinc/14/18/86/1072141886.db2.gz DHRJROAFXPFOLF-UHFFFAOYSA-N 0 0 438.469 -0.154 20 30 IBEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1C[C@@H]1CCCO1 ZINC000440377498 1072142324 /nfs/dbraw/zinc/14/23/24/1072142324.db2.gz CYSGHQKYTZEPKA-INIZCTEOSA-N 0 0 440.481 -0.085 20 30 IBEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1C[C@H]1CCCO1 ZINC000440377500 1072142372 /nfs/dbraw/zinc/14/23/72/1072142372.db2.gz CYSGHQKYTZEPKA-MRXNPFEDSA-N 0 0 440.481 -0.085 20 30 IBEDRN C=CCn1c(=O)c(=Cc2ccc(C#N)o2)sc1=C(C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000440377525 1072142345 /nfs/dbraw/zinc/14/23/45/1072142345.db2.gz DCMZUSZDTIHXCA-UHFFFAOYSA-N 0 0 444.494 -0.679 20 30 IBEDRN CCn1c(=O)c(=Cc2ccc(C#N)o2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000440377735 1072141835 /nfs/dbraw/zinc/14/18/35/1072141835.db2.gz ITGRDINQKCOTBT-UHFFFAOYSA-N 0 0 427.486 -0.654 20 30 IBEDRN COCc1cccc(C=c2sc(=C(C#N)C(=O)N3CCS(=O)(=O)CC3)n(C)c2=O)c1 ZINC000440378574 1072142574 /nfs/dbraw/zinc/14/25/74/1072142574.db2.gz AIWLXGLQKZGKTD-UHFFFAOYSA-N 0 0 447.538 -0.647 20 30 IBEDRN N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1CCN1CCOCC1 ZINC000440379602 1072142685 /nfs/dbraw/zinc/14/26/85/1072142685.db2.gz ZJCIBPPIGBCASG-UHFFFAOYSA-N 0 0 439.497 -0.512 20 30 IBEDRN CC(C)C(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1CCNS(C)(=O)=O ZINC000440380906 1072142547 /nfs/dbraw/zinc/14/25/47/1072142547.db2.gz HGPPBJBSIFLHIW-UHFFFAOYSA-N 0 0 434.499 -0.348 20 30 IBEDRN COCc1cccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C)c2=O)c1 ZINC000440381051 1072143228 /nfs/dbraw/zinc/14/32/28/1072143228.db2.gz LEUSKCNGFYYEQP-UHFFFAOYSA-N 0 0 442.541 -0.455 20 30 IBEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1CCN1CCOCC1 ZINC000440382327 1072143138 /nfs/dbraw/zinc/14/31/38/1072143138.db2.gz JMDHIMIDAYJDAU-UHFFFAOYSA-N 0 0 439.497 -0.488 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1C[C@@H]1CCCO1 ZINC000440383034 1072140594 /nfs/dbraw/zinc/14/05/94/1072140594.db2.gz UBNBIQYFBNPNTQ-HNNXBMFYSA-N 0 0 428.470 -0.181 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1C[C@H]1CCCO1 ZINC000440383035 1072140586 /nfs/dbraw/zinc/14/05/86/1072140586.db2.gz UBNBIQYFBNPNTQ-OAHLLOKOSA-N 0 0 428.470 -0.181 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1CCCC(=O)OC ZINC000440384683 1072140505 /nfs/dbraw/zinc/14/05/05/1072140505.db2.gz CFFDUEXLFSWPNY-UHFFFAOYSA-N 0 0 444.469 -0.407 20 30 IBEDRN Cc1ccoc1C=c1sc(=C(C#N)C(=O)N2CCS(=O)(=O)CC2)n(C2CC2)c1=O ZINC000440385568 1072143159 /nfs/dbraw/zinc/14/31/59/1072143159.db2.gz BEOKKSLSDZBSJD-UHFFFAOYSA-N 0 0 433.511 -0.094 20 30 IBEDRN C=CCn1c(=O)c(=Cc2occc2C)sc1=C(C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000440385810 1072143127 /nfs/dbraw/zinc/14/31/27/1072143127.db2.gz RNSWSFCPBDWTLY-UHFFFAOYSA-N 0 0 433.511 -0.243 20 30 IBEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1CCN1CCOCC1 ZINC000440386417 1072143671 /nfs/dbraw/zinc/14/36/71/1072143671.db2.gz PHKUKGGXQQOKQY-UHFFFAOYSA-N 0 0 441.513 -0.266 20 30 IBEDRN C=CCn1c(=O)c(=Cc2occc2C)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000440386589 1072143683 /nfs/dbraw/zinc/14/36/83/1072143683.db2.gz SWRFSLMUBOUGDC-UHFFFAOYSA-N 0 0 428.514 -0.051 20 30 IBEDRN CCCn1c(=O)c(=Cc2ccc(C#N)o2)sc1=C(C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000440390249 1072144618 /nfs/dbraw/zinc/14/46/18/1072144618.db2.gz ZSLNKDZDPUEUIB-UHFFFAOYSA-N 0 0 446.510 -0.455 20 30 IBEDRN C=CCn1c(=O)c(=Cc2ccc(C#N)o2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000440391424 1072144580 /nfs/dbraw/zinc/14/45/80/1072144580.db2.gz OFAANLQRZVVNTR-UHFFFAOYSA-N 0 0 439.497 -0.488 20 30 IBEDRN CCCn1c(=O)c(=Cc2ccc(C#N)o2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000440392583 1072144515 /nfs/dbraw/zinc/14/45/15/1072144515.db2.gz NXNPYIUXYLIRDU-UHFFFAOYSA-N 0 0 441.513 -0.264 20 30 IBEDRN CCCn1c(=O)c(=Cc2occc2C)sc1=C(C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000440393877 1072145094 /nfs/dbraw/zinc/14/50/94/1072145094.db2.gz XUZACMAPXJOLNN-UHFFFAOYSA-N 0 0 435.527 -0.019 20 30 IBEDRN N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1C1CC1 ZINC000440401546 1072145579 /nfs/dbraw/zinc/14/55/79/1072145579.db2.gz WGAJDXREEXNAES-UHFFFAOYSA-N 0 0 439.497 -0.339 20 30 IBEDRN CCn1cc(C#N)c(=O)n(CCS(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)c1=O ZINC000440574475 1072661597 /nfs/dbraw/zinc/66/15/97/1072661597.db2.gz KRDMFWNRADWONH-UHFFFAOYSA-N 0 0 440.503 -0.374 20 30 IBEDRN CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CCn1c(=O)c(C#N)cn(C)c1=O ZINC000440576554 1072661546 /nfs/dbraw/zinc/66/15/46/1072661546.db2.gz QLVSMPNWUDYXMC-UHFFFAOYSA-N 0 0 426.476 -0.857 20 30 IBEDRN Cc1nnc(CN2CCN(C(=O)C(=O)Nc3ncn(Cc4ccc(C#N)cc4)n3)CC2)[nH]1 ZINC000440758821 1072236779 /nfs/dbraw/zinc/23/67/79/1072236779.db2.gz WIUKXEIUWVDWCB-UHFFFAOYSA-N 0 0 434.464 -0.093 20 30 IBEDRN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCN(Cc2nnc(C)[nH]2)CC1 ZINC000440763761 1072239109 /nfs/dbraw/zinc/23/91/09/1072239109.db2.gz SDRLXTMYLXDXPX-UHFFFAOYSA-N 0 0 434.464 0.157 20 30 IBEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)Nc2cc(S(C)(=O)=O)ccc2F)c1=O ZINC000440795912 1072241027 /nfs/dbraw/zinc/24/10/27/1072241027.db2.gz VQPMUEGEMVDINI-UHFFFAOYSA-N 0 0 438.437 -0.275 20 30 IBEDRN CN(C[C@H](O)CN1CCOCC1)C(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC000440982063 1073310633 /nfs/dbraw/zinc/31/06/33/1073310633.db2.gz GPLPWUKHWCMHIT-INIZCTEOSA-N 0 0 446.895 0.487 20 30 IBEDRN CN(C[C@@H](O)CN1CCOCC1)C(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC000440982073 1072245880 /nfs/dbraw/zinc/24/58/80/1072245880.db2.gz GPLPWUKHWCMHIT-MRXNPFEDSA-N 0 0 446.895 0.487 20 30 IBEDRN CN(C[C@H](O)CN1CCOCC1)C(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 ZINC000440987352 1072251949 /nfs/dbraw/zinc/25/19/49/1072251949.db2.gz HNZGWROSJPZPJE-AWEZNQCLSA-N 0 0 430.440 -0.027 20 30 IBEDRN CN(C[C@@H](O)CN1CCOCC1)C(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 ZINC000440987353 1072252047 /nfs/dbraw/zinc/25/20/47/1072252047.db2.gz HNZGWROSJPZPJE-CQSZACIVSA-N 0 0 430.440 -0.027 20 30 IBEDRN CN(C[C@H](O)CN1CCOCC1)C(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 ZINC000440994794 1072249703 /nfs/dbraw/zinc/24/97/03/1072249703.db2.gz UWROPQSQDIVVMA-HNNXBMFYSA-N 0 0 446.895 0.487 20 30 IBEDRN CN(C[C@@H](O)CN1CCOCC1)C(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 ZINC000440994795 1072249070 /nfs/dbraw/zinc/24/90/70/1072249070.db2.gz UWROPQSQDIVVMA-OAHLLOKOSA-N 0 0 446.895 0.487 20 30 IBEDRN CN(C[C@H](O)CN1CCOCC1)C(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 ZINC000441003197 1072251416 /nfs/dbraw/zinc/25/14/16/1072251416.db2.gz UOSOURYMGIOXKJ-HNNXBMFYSA-N 0 0 430.440 -0.027 20 30 IBEDRN CN(C[C@@H](O)CN1CCOCC1)C(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 ZINC000441003198 1072251352 /nfs/dbraw/zinc/25/13/52/1072251352.db2.gz UOSOURYMGIOXKJ-OAHLLOKOSA-N 0 0 430.440 -0.027 20 30 IBEDRN COC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000441183206 1072758151 /nfs/dbraw/zinc/75/81/51/1072758151.db2.gz LACACVXHSHHDKK-HNNXBMFYSA-N 0 0 441.448 -0.102 20 30 IBEDRN Cn1cc(S(=O)(=O)NCCN2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cn1 ZINC000441184277 1072760429 /nfs/dbraw/zinc/76/04/29/1072760429.db2.gz VCIZZKJMJSZZNE-UHFFFAOYSA-N 0 0 438.535 -0.423 20 30 IBEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@@](C)(O)C(=O)OCC)cc1 ZINC000441322361 1072271377 /nfs/dbraw/zinc/27/13/77/1072271377.db2.gz JPGRXGFPMYHYQK-GOSISDBHSA-N 0 0 427.479 -0.138 20 30 IBEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@](C)(O)C(=O)OCC)cc1 ZINC000441322362 1072271476 /nfs/dbraw/zinc/27/14/76/1072271476.db2.gz JPGRXGFPMYHYQK-SFHVURJKSA-N 0 0 427.479 -0.138 20 30 IBEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCOC[C@@]23CCOC3)CC1 ZINC000441381510 1072272546 /nfs/dbraw/zinc/27/25/46/1072272546.db2.gz MHDRFNJZRSGKRL-FQEVSTJZSA-N 0 0 434.518 -0.118 20 30 IBEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCOC[C@]23CCOC3)CC1 ZINC000441381516 1072272629 /nfs/dbraw/zinc/27/26/29/1072272629.db2.gz MHDRFNJZRSGKRL-HXUWFJFHSA-N 0 0 434.518 -0.118 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)NCCNS(=O)(=O)c2ccc(F)cc2F)C1=O ZINC000441394725 1072272358 /nfs/dbraw/zinc/27/23/58/1072272358.db2.gz LTQDVQGEOCLRRS-UHFFFAOYSA-N 0 0 430.389 -0.664 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)NCCNS(=O)(=O)c2ccc(Cl)cc2F)C1=O ZINC000441419823 1072275672 /nfs/dbraw/zinc/27/56/72/1072275672.db2.gz XSGWYVJVKIOXBT-UHFFFAOYSA-N 0 0 446.844 -0.150 20 30 IBEDRN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@H](C(=O)N1CCOCC1)C(C)C ZINC000441427144 1072284717 /nfs/dbraw/zinc/28/47/17/1072284717.db2.gz GBVONAQQNOWZAP-KRWDZBQOSA-N 0 0 439.476 0.386 20 30 IBEDRN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@@H](C(=O)N1CCOCC1)C(C)C ZINC000441427145 1072284752 /nfs/dbraw/zinc/28/47/52/1072284752.db2.gz GBVONAQQNOWZAP-QGZVFWFLSA-N 0 0 439.476 0.386 20 30 IBEDRN CC(C)[C@H](NC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1)C(=O)N1CCOCC1 ZINC000441454852 1073320906 /nfs/dbraw/zinc/32/09/06/1073320906.db2.gz XQCLYNKEMOSPKQ-KRWDZBQOSA-N 0 0 439.476 0.136 20 30 IBEDRN CC(C)[C@@H](NC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1)C(=O)N1CCOCC1 ZINC000441454854 1073319508 /nfs/dbraw/zinc/31/95/08/1073319508.db2.gz XQCLYNKEMOSPKQ-QGZVFWFLSA-N 0 0 439.476 0.136 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)Cc2c(C)nn(-c3cncc4nnnn43)c2C)CC1 ZINC000441478642 1072292108 /nfs/dbraw/zinc/29/21/08/1072292108.db2.gz XNLVFPRTLARDJK-UHFFFAOYSA-N 0 0 438.496 -0.689 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(CC(=O)Nc3ccccc3OC)CC2)C1=O ZINC000441548189 1072297954 /nfs/dbraw/zinc/29/79/54/1072297954.db2.gz SIUAUDGEPZSNHP-UHFFFAOYSA-N 0 0 443.460 -0.245 20 30 IBEDRN COc1ccc(S(=O)(=O)N2CC(NC(=O)C(=O)Nc3nn(C(C)C)cc3C#N)C2)cc1 ZINC000441598321 1072302348 /nfs/dbraw/zinc/30/23/48/1072302348.db2.gz NIWYWBIMTCLNCF-UHFFFAOYSA-N 0 0 446.489 0.472 20 30 IBEDRN COc1ccc(S(=O)(=O)N2CC(NC(=O)C(=O)Nc3ccn(CCC#N)n3)C2)cc1 ZINC000441606291 1072303421 /nfs/dbraw/zinc/30/34/21/1072303421.db2.gz AYZZAZYWNSFWNH-UHFFFAOYSA-N 0 0 432.462 -0.067 20 30 IBEDRN COc1ccc(S(=O)(=O)N2CC(NC(=O)C(=O)Nc3cc(C)n(CCC#N)n3)C2)cc1 ZINC000441611839 1072303385 /nfs/dbraw/zinc/30/33/85/1072303385.db2.gz NGSNBIVSWKBSAW-UHFFFAOYSA-N 0 0 446.489 0.242 20 30 IBEDRN COC(=O)C(C)(C)N1CCN(C(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)CC1 ZINC000441637419 1072307538 /nfs/dbraw/zinc/30/75/38/1072307538.db2.gz VHBNCRDZQJTHHE-UHFFFAOYSA-N 0 0 439.476 0.482 20 30 IBEDRN COC(=O)[C@@H]1CCCN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)[C@@H]1C(=O)OC ZINC000441641568 1072308561 /nfs/dbraw/zinc/30/85/61/1072308561.db2.gz DLYUKSDXFGIUER-PBHICJAKSA-N 0 0 433.465 -0.070 20 30 IBEDRN COC(=O)[C@@H]1CCCN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)[C@H]1C(=O)OC ZINC000441641571 1072308609 /nfs/dbraw/zinc/30/86/09/1072308609.db2.gz DLYUKSDXFGIUER-RHSMWYFYSA-N 0 0 433.465 -0.070 20 30 IBEDRN COC(=O)[C@H]1[C@@H](C(=O)OC)CCCN1CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000441641573 1072308546 /nfs/dbraw/zinc/30/85/46/1072308546.db2.gz DLYUKSDXFGIUER-WMLDXEAASA-N 0 0 433.465 -0.070 20 30 IBEDRN COC(=O)[C@H]1CCCN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)[C@@H]1C(=O)OC ZINC000441641575 1072308632 /nfs/dbraw/zinc/30/86/32/1072308632.db2.gz DLYUKSDXFGIUER-YOEHRIQHSA-N 0 0 433.465 -0.070 20 30 IBEDRN COC(=O)C(C)(C)N1CCN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)CC1 ZINC000441663291 1072310108 /nfs/dbraw/zinc/31/01/08/1072310108.db2.gz OFSSBMRJXOFWOK-UHFFFAOYSA-N 0 0 439.476 0.232 20 30 IBEDRN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N(CCC(F)(F)F)C[C@H](O)CO ZINC000441716033 1072316806 /nfs/dbraw/zinc/31/68/06/1072316806.db2.gz PPPHNMAJCKYHKI-ZDUSSCGKSA-N 0 0 440.382 0.520 20 30 IBEDRN Cc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)c1C#N ZINC000441717340 1072316884 /nfs/dbraw/zinc/31/68/84/1072316884.db2.gz SFQNSWVTVNTPAI-UHFFFAOYSA-N 0 0 434.522 -0.558 20 30 IBEDRN N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N(CCC(F)(F)F)C[C@H](O)CO)n2)cc1 ZINC000441728492 1072317929 /nfs/dbraw/zinc/31/79/29/1072317929.db2.gz MPUAQXSXWWPEPZ-AWEZNQCLSA-N 0 0 440.382 0.271 20 30 IBEDRN C[C@H](C#N)CN(C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)C1CC1 ZINC000441915250 1072369683 /nfs/dbraw/zinc/36/96/83/1072369683.db2.gz OXAHOMQWTXCNEC-CYBMUJFWSA-N 0 0 433.490 -0.104 20 30 IBEDRN C[C@@H](C#N)CN(C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)C1CC1 ZINC000441915251 1072369621 /nfs/dbraw/zinc/36/96/21/1072369621.db2.gz OXAHOMQWTXCNEC-ZDUSSCGKSA-N 0 0 433.490 -0.104 20 30 IBEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1C[C@@H]1CCOC1 ZINC000441923329 1072370091 /nfs/dbraw/zinc/37/00/91/1072370091.db2.gz JXSVGVFYCAKKCG-HNNXBMFYSA-N 0 0 445.545 -0.274 20 30 IBEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1C[C@H]1CCOC1 ZINC000441923332 1072370214 /nfs/dbraw/zinc/37/02/14/1072370214.db2.gz JXSVGVFYCAKKCG-OAHLLOKOSA-N 0 0 445.545 -0.274 20 30 IBEDRN Cn1nccc1C=c1sc(=C(C#N)C(=O)N2CCSCC2)n(C[C@@H]2CCOC2)c1=O ZINC000441927391 1072370701 /nfs/dbraw/zinc/37/07/01/1072370701.db2.gz AMOYMJRFGCWXKR-AWEZNQCLSA-N 0 0 445.570 -0.242 20 30 IBEDRN Cn1nccc1C=c1sc(=C(C#N)C(=O)N2CCSCC2)n(C[C@H]2CCOC2)c1=O ZINC000441927393 1072370443 /nfs/dbraw/zinc/37/04/43/1072370443.db2.gz AMOYMJRFGCWXKR-CQSZACIVSA-N 0 0 445.570 -0.242 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cn2)c(=O)n1C[C@@H]1CCOC1 ZINC000441932984 1072371110 /nfs/dbraw/zinc/37/11/10/1072371110.db2.gz KTMUVNZWLYCRQY-HNNXBMFYSA-N 0 0 428.514 -0.085 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cn2)c(=O)n1C[C@H]1CCOC1 ZINC000441932985 1072371138 /nfs/dbraw/zinc/37/11/38/1072371138.db2.gz KTMUVNZWLYCRQY-OAHLLOKOSA-N 0 0 428.514 -0.085 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1C[C@H]1CCOC1 ZINC000441937429 1072371474 /nfs/dbraw/zinc/37/14/74/1072371474.db2.gz UOCIJDZTOHHYOU-CYBMUJFWSA-N 0 0 428.470 -0.323 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1C[C@@H]1CCOC1 ZINC000441937430 1072371411 /nfs/dbraw/zinc/37/14/11/1072371411.db2.gz UOCIJDZTOHHYOU-ZDUSSCGKSA-N 0 0 428.470 -0.323 20 30 IBEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccccn2)c(=O)n1C[C@@H]1CCOC1 ZINC000441943317 1072371779 /nfs/dbraw/zinc/37/17/79/1072371779.db2.gz SWKJMXNWYNRBCQ-HNNXBMFYSA-N 0 0 426.498 -0.297 20 30 IBEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccccn2)c(=O)n1C[C@H]1CCOC1 ZINC000441943319 1072372069 /nfs/dbraw/zinc/37/20/69/1072372069.db2.gz SWKJMXNWYNRBCQ-OAHLLOKOSA-N 0 0 426.498 -0.297 20 30 IBEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1C[C@@H]1CCOC1 ZINC000441948239 1072372534 /nfs/dbraw/zinc/37/25/34/1072372534.db2.gz GFHJPTCTDLLVBS-HNNXBMFYSA-N 0 0 428.514 -0.003 20 30 IBEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1C[C@H]1CCOC1 ZINC000441948240 1072372540 /nfs/dbraw/zinc/37/25/40/1072372540.db2.gz GFHJPTCTDLLVBS-OAHLLOKOSA-N 0 0 428.514 -0.003 20 30 IBEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1C[C@@H]1CCOC1 ZINC000441953679 1072371568 /nfs/dbraw/zinc/37/15/68/1072371568.db2.gz KRNFDCNCMRDZRO-AWEZNQCLSA-N 0 0 440.481 -0.227 20 30 IBEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1C[C@H]1CCOC1 ZINC000441953680 1072372111 /nfs/dbraw/zinc/37/21/11/1072372111.db2.gz KRNFDCNCMRDZRO-CQSZACIVSA-N 0 0 440.481 -0.227 20 30 IBEDRN Cn1nccc1C=c1sc(=C(C#N)C(=O)NC[C@H]2CCCO2)n(C[C@H]2CCOC2)c1=O ZINC000441962676 1072374133 /nfs/dbraw/zinc/37/41/33/1072374133.db2.gz VWJCBEQXFZTKPQ-GDBMZVCRSA-N 0 0 443.529 -0.522 20 30 IBEDRN Cn1nccc1C=c1sc(=C(C#N)C(=O)NC[C@H]2CCCO2)n(C[C@@H]2CCOC2)c1=O ZINC000441962679 1072374051 /nfs/dbraw/zinc/37/40/51/1072374051.db2.gz VWJCBEQXFZTKPQ-GOEBONIOSA-N 0 0 443.529 -0.522 20 30 IBEDRN Cn1nccc1C=c1sc(=C(C#N)C(=O)NC[C@@H]2CCCO2)n(C[C@@H]2CCOC2)c1=O ZINC000441962681 1072374107 /nfs/dbraw/zinc/37/41/07/1072374107.db2.gz VWJCBEQXFZTKPQ-HOCLYGCPSA-N 0 0 443.529 -0.522 20 30 IBEDRN Cn1nccc1C=c1sc(=C(C#N)C(=O)NC[C@@H]2CCCO2)n(C[C@H]2CCOC2)c1=O ZINC000441962684 1072374086 /nfs/dbraw/zinc/37/40/86/1072374086.db2.gz VWJCBEQXFZTKPQ-ZBFHGGJFSA-N 0 0 443.529 -0.522 20 30 IBEDRN CC(C)(C)OC(=O)[C@@](C)(O)CNC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 ZINC000441982081 1072373410 /nfs/dbraw/zinc/37/34/10/1072373410.db2.gz WDMKTKFSQOCTRD-FQEVSTJZSA-N 0 0 428.449 0.345 20 30 IBEDRN CC(C)(C)OC(=O)[C@](C)(O)CNC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 ZINC000441982083 1072373712 /nfs/dbraw/zinc/37/37/12/1072373712.db2.gz WDMKTKFSQOCTRD-HXUWFJFHSA-N 0 0 428.449 0.345 20 30 IBEDRN N#Cc1cc(NC(=O)C(=O)N2CCN3C(=O)C(=O)NC[C@@H]3C2)ccc1OCC(F)(F)F ZINC000441986446 1072378503 /nfs/dbraw/zinc/37/85/03/1072378503.db2.gz LFQGVQBHMDJUQJ-GFCCVEGCSA-N 0 0 439.350 -0.393 20 30 IBEDRN N#Cc1cc(NC(=O)C(=O)N2CCN3C(=O)C(=O)NC[C@H]3C2)ccc1OCC(F)(F)F ZINC000441986448 1072379184 /nfs/dbraw/zinc/37/91/84/1072379184.db2.gz LFQGVQBHMDJUQJ-LBPRGKRZSA-N 0 0 439.350 -0.393 20 30 IBEDRN Cc1cccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)c1C#N ZINC000441988403 1072379158 /nfs/dbraw/zinc/37/91/58/1072379158.db2.gz NERHVKDDNHEUFX-UHFFFAOYSA-N 0 0 427.552 -0.335 20 30 IBEDRN Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)N2CCN3C(=O)C(=O)NC[C@H]3C2)c1C ZINC000441997126 1072375064 /nfs/dbraw/zinc/37/50/64/1072375064.db2.gz DSGHFQNLAUFVES-INIZCTEOSA-N 0 0 435.444 -0.531 20 30 IBEDRN Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)N2CCN3C(=O)C(=O)NC[C@@H]3C2)c1C ZINC000441997131 1072375057 /nfs/dbraw/zinc/37/50/57/1072375057.db2.gz DSGHFQNLAUFVES-MRXNPFEDSA-N 0 0 435.444 -0.531 20 30 IBEDRN N#Cc1cccnc1Oc1ccccc1NC(=O)C(=O)N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000442002795 1072382730 /nfs/dbraw/zinc/38/27/30/1072382730.db2.gz PRRGHTWOTZYVEW-AWEZNQCLSA-N 0 0 434.412 -0.147 20 30 IBEDRN N#Cc1cccnc1Oc1ccccc1NC(=O)C(=O)N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000442002798 1072382715 /nfs/dbraw/zinc/38/27/15/1072382715.db2.gz PRRGHTWOTZYVEW-CQSZACIVSA-N 0 0 434.412 -0.147 20 30 IBEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N2CCN3C(=O)C(=O)NC[C@H]3C2)cc1 ZINC000442004592 1072384302 /nfs/dbraw/zinc/38/43/02/1072384302.db2.gz RRMCYPUNSSNRCZ-KRWDZBQOSA-N 0 0 439.472 -0.392 20 30 IBEDRN C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N2CCN3C(=O)C(=O)NC[C@@H]3C2)cc1 ZINC000442004596 1072384268 /nfs/dbraw/zinc/38/42/68/1072384268.db2.gz RRMCYPUNSSNRCZ-QGZVFWFLSA-N 0 0 439.472 -0.392 20 30 IBEDRN Cc1cccc(NC(=O)C(=O)NC2CCN(S(=O)(=O)N3CCOCC3)CC2)c1C#N ZINC000442005239 1072383760 /nfs/dbraw/zinc/38/37/60/1072383760.db2.gz SGRJHJCEIDABFV-UHFFFAOYSA-N 0 0 435.506 -0.037 20 30 IBEDRN Cc1nn(-c2cncc3nnnn32)c(C)c1CC(=O)N(CCC#N)CCN1CCOCC1 ZINC000442011724 1072386812 /nfs/dbraw/zinc/38/68/12/1072386812.db2.gz MAUYYXKBHOIBOZ-UHFFFAOYSA-N 0 0 438.496 -0.061 20 30 IBEDRN N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)n1 ZINC000442028149 1072391260 /nfs/dbraw/zinc/39/12/60/1072391260.db2.gz JDDFISHPRBZZMT-CYBMUJFWSA-N 0 0 427.808 0.098 20 30 IBEDRN N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)n1 ZINC000442028153 1072391271 /nfs/dbraw/zinc/39/12/71/1072391271.db2.gz JDDFISHPRBZZMT-ZDUSSCGKSA-N 0 0 427.808 0.098 20 30 IBEDRN N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3CCN4C(=O)NC(=O)[C@H]4C3)n2)c(Cl)c1 ZINC000442037575 1072388220 /nfs/dbraw/zinc/38/82/20/1072388220.db2.gz XNYIZDPMTFXXRT-CYBMUJFWSA-N 0 0 427.808 0.098 20 30 IBEDRN N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3CCN4C(=O)NC(=O)[C@@H]4C3)n2)c(Cl)c1 ZINC000442037577 1072387870 /nfs/dbraw/zinc/38/78/70/1072387870.db2.gz XNYIZDPMTFXXRT-ZDUSSCGKSA-N 0 0 427.808 0.098 20 30 IBEDRN COC(=O)CCN1CCN(C(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)[C@@H](C)C1 ZINC000442052336 1073324011 /nfs/dbraw/zinc/32/40/11/1073324011.db2.gz AMPFTNQKYLEUCK-HNNXBMFYSA-N 0 0 439.476 0.482 20 30 IBEDRN COC(=O)CCN1CCN(C(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)[C@H](C)C1 ZINC000442052338 1073324057 /nfs/dbraw/zinc/32/40/57/1073324057.db2.gz AMPFTNQKYLEUCK-OAHLLOKOSA-N 0 0 439.476 0.482 20 30 IBEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)cc1 ZINC000442052439 1072395584 /nfs/dbraw/zinc/39/55/84/1072395584.db2.gz VGNYQRDDFQWTKI-AWEZNQCLSA-N 0 0 435.462 -0.806 20 30 IBEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)cc1 ZINC000442052441 1072395755 /nfs/dbraw/zinc/39/57/55/1072395755.db2.gz VGNYQRDDFQWTKI-CQSZACIVSA-N 0 0 435.462 -0.806 20 30 IBEDRN COc1ccccc1NC(=O)CN1CCN(C(=O)C(=O)Nc2ccn(CCC#N)n2)CC1 ZINC000442067286 1072400269 /nfs/dbraw/zinc/40/02/69/1072400269.db2.gz BGRWYCGNZOCWDH-UHFFFAOYSA-N 0 0 439.476 0.527 20 30 IBEDRN COC(=O)CCN1CCN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)[C@@H](C)C1 ZINC000442075225 1072398982 /nfs/dbraw/zinc/39/89/82/1072398982.db2.gz FKBXLQLLJYUAMT-HNNXBMFYSA-N 0 0 439.476 0.232 20 30 IBEDRN COC(=O)CCN1CCN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)[C@H](C)C1 ZINC000442075227 1072399177 /nfs/dbraw/zinc/39/91/77/1072399177.db2.gz FKBXLQLLJYUAMT-OAHLLOKOSA-N 0 0 439.476 0.232 20 30 IBEDRN C[C@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 ZINC000442079878 1072399559 /nfs/dbraw/zinc/39/95/59/1072399559.db2.gz NVJVYLYJOOQXRR-HNNXBMFYSA-N 0 0 425.493 0.440 20 30 IBEDRN C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 ZINC000442079879 1072399588 /nfs/dbraw/zinc/39/95/88/1072399588.db2.gz NVJVYLYJOOQXRR-OAHLLOKOSA-N 0 0 425.493 0.440 20 30 IBEDRN N#Cc1ccc(OC2CN(C(=O)C(=O)Nc3ccn(CC(=O)N4CCOCC4)n3)C2)cc1 ZINC000442246536 1072410699 /nfs/dbraw/zinc/41/06/99/1072410699.db2.gz UGLYEPWWYCIIFY-UHFFFAOYSA-N 0 0 438.444 -0.158 20 30 IBEDRN N#Cc1ccc(OC2CN(C(=O)C(=O)Nc3cnn(CC(=O)N4CCOCC4)c3)C2)cc1 ZINC000442246666 1072410629 /nfs/dbraw/zinc/41/06/29/1072410629.db2.gz CDIGXVVYBIHYDS-UHFFFAOYSA-N 0 0 438.444 -0.158 20 30 IBEDRN COCCNC(=O)Cn1cc(NC(=O)C(=O)N2CC(Oc3ccc(C#N)cc3)C2)cn1 ZINC000442253494 1072410689 /nfs/dbraw/zinc/41/06/89/1072410689.db2.gz VTIWYVLZEQVYOE-UHFFFAOYSA-N 0 0 426.433 -0.254 20 30 IBEDRN N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)N[C@H]2CCCN(CCO)C2=O)n1 ZINC000442258545 1073311769 /nfs/dbraw/zinc/31/17/69/1073311769.db2.gz AUCNGSNPQXDYDL-AWEZNQCLSA-N 0 0 430.852 0.435 20 30 IBEDRN N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)N[C@@H]2CCCN(CCO)C2=O)n1 ZINC000442258547 1072411307 /nfs/dbraw/zinc/41/13/07/1072411307.db2.gz AUCNGSNPQXDYDL-CQSZACIVSA-N 0 0 430.852 0.435 20 30 IBEDRN N#Cc1ccc(-n2ccc(NC(=O)C(=O)N[C@H]3CCCN(CCO)C3=O)n2)c(Cl)c1 ZINC000442263263 1072412503 /nfs/dbraw/zinc/41/25/03/1072412503.db2.gz GPUYZCHVEBQBCS-AWEZNQCLSA-N 0 0 430.852 0.435 20 30 IBEDRN N#Cc1ccc(-n2ccc(NC(=O)C(=O)N[C@@H]3CCCN(CCO)C3=O)n2)c(Cl)c1 ZINC000442263266 1072412484 /nfs/dbraw/zinc/41/24/84/1072412484.db2.gz GPUYZCHVEBQBCS-CQSZACIVSA-N 0 0 430.852 0.435 20 30 IBEDRN Cn1c2ncc(NC(=O)C(=O)N3CC(Oc4ccc(C#N)cc4)C3)cc2c(=O)n(C)c1=O ZINC000442300273 1072422134 /nfs/dbraw/zinc/42/21/34/1072422134.db2.gz HJTSKOMSXPGCIO-UHFFFAOYSA-N 0 0 434.412 -0.268 20 30 IBEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCCN(CCO)C2=O)cc1 ZINC000442302527 1072422114 /nfs/dbraw/zinc/42/21/14/1072422114.db2.gz VUFJPRBOXAAUOH-INIZCTEOSA-N 0 0 438.506 -0.469 20 30 IBEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCCN(CCO)C2=O)cc1 ZINC000442302529 1072422485 /nfs/dbraw/zinc/42/24/85/1072422485.db2.gz VUFJPRBOXAAUOH-MRXNPFEDSA-N 0 0 438.506 -0.469 20 30 IBEDRN CCOC(=O)C=c1sc(=Cc2ccc(C#N)c(OC)c2)c(=O)n1CC(=O)NCCOC ZINC000442324481 1072423577 /nfs/dbraw/zinc/42/35/77/1072423577.db2.gz OATJCUSCEFQRSD-UHFFFAOYSA-N 0 0 445.497 -0.275 20 30 IBEDRN N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)N2CC(n3cc(C(N)=O)nn3)C2)n1 ZINC000442441678 1072433866 /nfs/dbraw/zinc/43/38/66/1072433866.db2.gz FUVQDDDPEMGBGJ-UHFFFAOYSA-N 0 0 439.823 0.110 20 30 IBEDRN N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3CC(n4cc(C(N)=O)nn4)C3)n2)c(Cl)c1 ZINC000442451808 1072433431 /nfs/dbraw/zinc/43/34/31/1072433431.db2.gz YYYACIYRBAIDJI-UHFFFAOYSA-N 0 0 439.823 0.110 20 30 IBEDRN COC(=O)c1cn(C2CN(C(=O)C(=O)Nc3nn(-c4ccc(C#N)cn4)cc3C)C2)nn1 ZINC000442463335 1072436274 /nfs/dbraw/zinc/43/62/74/1072436274.db2.gz DVUMGUYTCDMLPV-UHFFFAOYSA-N 0 0 435.404 -0.153 20 30 IBEDRN COC(=O)c1cn(C2CN(C(=O)C(=O)Nc3ncn(Cc4ccc(C#N)cc4)n3)C2)nn1 ZINC000442467375 1073328617 /nfs/dbraw/zinc/32/86/17/1073328617.db2.gz OGPXSFANUBKXAL-UHFFFAOYSA-N 0 0 435.404 -0.402 20 30 IBEDRN COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CC(n2cc(C(=O)OC)nn2)C1 ZINC000442468709 1072437371 /nfs/dbraw/zinc/43/73/71/1072437371.db2.gz CUUWARVLDIWGNH-UHFFFAOYSA-N 0 0 428.405 -0.016 20 30 IBEDRN COC(=O)c1cn(C2CN(C(=O)C(=O)Nc3ccn(-c4ccc(C#N)cc4F)n3)C2)nn1 ZINC000442469366 1072437457 /nfs/dbraw/zinc/43/74/57/1072437457.db2.gz DXUZUIXUVFXETL-UHFFFAOYSA-N 0 0 438.379 0.283 20 30 IBEDRN COC(=O)c1cn(C2CN(C(=O)C(=O)Nc3ccn(-c4cccc(F)c4C#N)n3)C2)nn1 ZINC000442489146 1072437883 /nfs/dbraw/zinc/43/78/83/1072437883.db2.gz FLDPBLYDNPZVCR-UHFFFAOYSA-N 0 0 438.379 0.283 20 30 IBEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC(n3cc(C(N)=O)nn3)C2)cc1 ZINC000442523279 1072442969 /nfs/dbraw/zinc/44/29/69/1072442969.db2.gz ONXUFQFIBFITSW-UHFFFAOYSA-N 0 0 447.477 -0.795 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)NCCNS(=O)(=O)c2ccc(F)cc2F)CC1 ZINC000442592532 1072445734 /nfs/dbraw/zinc/44/57/34/1072445734.db2.gz KZYFKGFQGXWJDB-UHFFFAOYSA-N 0 0 445.492 -0.128 20 30 IBEDRN N#Cc1ncn(CC(=O)NC[C@H](NC(=O)Cn2cnc(C#N)n2)c2ccc(Cl)cc2)n1 ZINC000442821391 1072453591 /nfs/dbraw/zinc/45/35/91/1072453591.db2.gz DOXGPMJKROCMPC-AWEZNQCLSA-N 0 0 438.839 -0.060 20 30 IBEDRN N#Cc1ncn(CC(=O)NC[C@@H](NC(=O)Cn2cnc(C#N)n2)c2ccc(Cl)cc2)n1 ZINC000442821392 1072453772 /nfs/dbraw/zinc/45/37/72/1072453772.db2.gz DOXGPMJKROCMPC-CQSZACIVSA-N 0 0 438.839 -0.060 20 30 IBEDRN C[C@]1(CNC(=O)CNc2ccc(C#N)cn2)CCN(C(=O)CNc2ccc(C#N)cn2)C1 ZINC000442842228 1072455509 /nfs/dbraw/zinc/45/55/09/1072455509.db2.gz OIRGSDFOUJTRLB-JOCHJYFZSA-N 0 0 432.488 -0.057 20 30 IBEDRN C[C@@]1(CNC(=O)CNc2ccc(C#N)cn2)CCN(C(=O)CNc2ccc(C#N)cn2)C1 ZINC000442842229 1072455540 /nfs/dbraw/zinc/45/55/40/1072455540.db2.gz OIRGSDFOUJTRLB-QFIPXVFZSA-N 0 0 432.488 -0.057 20 30 IBEDRN N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC000443025486 1072465045 /nfs/dbraw/zinc/46/50/45/1072465045.db2.gz NIHYPMYUNIYWLM-UHFFFAOYSA-N 0 0 435.418 -0.552 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(N3CCNC3=O)cc2C)CC1 ZINC000443291869 1072488090 /nfs/dbraw/zinc/48/80/90/1072488090.db2.gz TUJNUKXPTSWBOC-UHFFFAOYSA-N 0 0 428.493 -0.090 20 30 IBEDRN N#Cc1cc(NC(=O)C(=O)N2CCN(CCS(N)(=O)=O)CC2)ccc1OC(F)(F)F ZINC000443292356 1072482828 /nfs/dbraw/zinc/48/28/28/1072482828.db2.gz VJAQBUYTBTZZTG-UHFFFAOYSA-N 0 0 449.411 -0.172 20 30 IBEDRN N#Cc1cc(NC(=O)C(=O)N2CCN3C(=O)C(=O)NC[C@@H]3C2)ccc1OC(F)(F)F ZINC000443356078 1072505584 /nfs/dbraw/zinc/50/55/84/1072505584.db2.gz WZRHGIOHMGZMDV-LLVKDONJSA-N 0 0 425.323 -0.435 20 30 IBEDRN N#Cc1cc(NC(=O)C(=O)N2CCN3C(=O)C(=O)NC[C@H]3C2)ccc1OC(F)(F)F ZINC000443356079 1072505078 /nfs/dbraw/zinc/50/50/78/1072505078.db2.gz WZRHGIOHMGZMDV-NSHDSACASA-N 0 0 425.323 -0.435 20 30 IBEDRN COCCN(C(=O)CN(C)S(=O)(=O)c1cccc(C#N)c1)[C@H]1CCS(=O)(=O)C1 ZINC000443396119 1072515016 /nfs/dbraw/zinc/51/50/16/1072515016.db2.gz ANPKHSFMYMDNQC-HNNXBMFYSA-N 0 0 429.520 -0.159 20 30 IBEDRN COCCN(C(=O)CN(C)S(=O)(=O)c1cccc(C#N)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000443396121 1072514922 /nfs/dbraw/zinc/51/49/22/1072514922.db2.gz ANPKHSFMYMDNQC-OAHLLOKOSA-N 0 0 429.520 -0.159 20 30 IBEDRN COCCN(C(=O)CN(c1ccc(C#N)cc1)S(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 ZINC000443410032 1072516844 /nfs/dbraw/zinc/51/68/44/1072516844.db2.gz ZCALMBKUTCWWJC-INIZCTEOSA-N 0 0 429.520 -0.014 20 30 IBEDRN COCCN(C(=O)CN(c1ccc(C#N)cc1)S(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 ZINC000443410033 1072516842 /nfs/dbraw/zinc/51/68/42/1072516842.db2.gz ZCALMBKUTCWWJC-MRXNPFEDSA-N 0 0 429.520 -0.014 20 30 IBEDRN COCCN(C(=O)CN(c1cccc(C#N)c1)S(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 ZINC000443411244 1072516749 /nfs/dbraw/zinc/51/67/49/1072516749.db2.gz DFDYCPDODMWCIQ-INIZCTEOSA-N 0 0 429.520 -0.014 20 30 IBEDRN COCCN(C(=O)CN(c1cccc(C#N)c1)S(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 ZINC000443411246 1072517119 /nfs/dbraw/zinc/51/71/19/1072517119.db2.gz DFDYCPDODMWCIQ-MRXNPFEDSA-N 0 0 429.520 -0.014 20 30 IBEDRN CS(=O)(=O)N1CCN(S(=O)(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)CC1 ZINC000443473699 1072531173 /nfs/dbraw/zinc/53/11/73/1072531173.db2.gz HOQBIPQWRBOVKG-UHFFFAOYSA-N 0 0 427.552 -0.502 20 30 IBEDRN CS(=O)(=O)N1CCN(S(=O)(=O)N2CCN(c3ccc(C#N)cc3F)CC2)CC1 ZINC000443474046 1072531401 /nfs/dbraw/zinc/53/14/01/1072531401.db2.gz HLCPCYAYMBPNSC-UHFFFAOYSA-N 0 0 431.515 -0.359 20 30 IBEDRN N#Cc1cc(Br)cc(S(=O)(=O)N2CCN(CCS(N)(=O)=O)CC2)c1 ZINC000443474820 1072534650 /nfs/dbraw/zinc/53/46/50/1072534650.db2.gz KIQSXFVESYDJFC-UHFFFAOYSA-N 0 0 437.341 -0.084 20 30 IBEDRN CS(=O)(=O)N1CCN(S(=O)(=O)N2CCCN(c3ccccc3C#N)CC2)CC1 ZINC000443478072 1072533853 /nfs/dbraw/zinc/53/38/53/1072533853.db2.gz SORUYJQURNWVEG-UHFFFAOYSA-N 0 0 427.552 -0.108 20 30 IBEDRN CS(=O)(=O)N1CCN(S(=O)(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)CC1 ZINC000443485908 1072508224 /nfs/dbraw/zinc/50/82/24/1072508224.db2.gz ORJNFMRXVIHEQE-KRWDZBQOSA-N 0 0 427.552 -0.482 20 30 IBEDRN CS(=O)(=O)N1CCN(S(=O)(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)CC1 ZINC000443485909 1072508028 /nfs/dbraw/zinc/50/80/28/1072508028.db2.gz ORJNFMRXVIHEQE-QGZVFWFLSA-N 0 0 427.552 -0.482 20 30 IBEDRN CS(=O)(=O)N1CCN(S(=O)(=O)N2CCN(c3cccc(F)c3C#N)CC2)CC1 ZINC000443489917 1072534711 /nfs/dbraw/zinc/53/47/11/1072534711.db2.gz WMKIEJFVMZEZFQ-UHFFFAOYSA-N 0 0 431.515 -0.359 20 30 IBEDRN CS(=O)(=O)N1CCN(S(=O)(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)CC1 ZINC000443519828 1072538005 /nfs/dbraw/zinc/53/80/05/1072538005.db2.gz IZVCHQPAWOUFFA-UHFFFAOYSA-N 0 0 441.579 -0.112 20 30 IBEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccnn3C)c(=O)n2CCSC)CC1 ZINC000443548811 1072541237 /nfs/dbraw/zinc/54/12/37/1072541237.db2.gz JZNRSGGNTYSWDU-UHFFFAOYSA-N 0 0 446.602 -0.327 20 30 IBEDRN CSCCn1c(=O)c(=Cc2ccnn2C)sc1=C(C#N)C(=O)NC[C@@H]1CCCO1 ZINC000443552867 1072541528 /nfs/dbraw/zinc/54/15/28/1072541528.db2.gz WRFOSHGVXXDZCG-AWEZNQCLSA-N 0 0 433.559 -0.195 20 30 IBEDRN CSCCn1c(=O)c(=Cc2ccnn2C)sc1=C(C#N)C(=O)NC[C@H]1CCCO1 ZINC000443552868 1072517619 /nfs/dbraw/zinc/51/76/19/1072517619.db2.gz WRFOSHGVXXDZCG-CQSZACIVSA-N 0 0 433.559 -0.195 20 30 IBEDRN CCCc1c(NC(=O)C(=O)N2CCN3C(=O)C(=O)NC[C@H]3C2)cnn1-c1cccc(C#N)c1 ZINC000443687798 1072564737 /nfs/dbraw/zinc/56/47/37/1072564737.db2.gz IFXNYZGBMHFZSX-INIZCTEOSA-N 0 0 449.471 -0.196 20 30 IBEDRN CCCc1c(NC(=O)C(=O)N2CCN3C(=O)C(=O)NC[C@@H]3C2)cnn1-c1cccc(C#N)c1 ZINC000443687799 1072526021 /nfs/dbraw/zinc/52/60/21/1072526021.db2.gz IFXNYZGBMHFZSX-MRXNPFEDSA-N 0 0 449.471 -0.196 20 30 IBEDRN CCS(=O)(=O)N1CC(CNC(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C1 ZINC000443720366 1072531167 /nfs/dbraw/zinc/53/11/67/1072531167.db2.gz QOAVRDVVRCHAAL-UHFFFAOYSA-N 0 0 434.453 0.219 20 30 IBEDRN CCS(=O)(=O)N1CC(CNC(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C1 ZINC000443762386 1072543451 /nfs/dbraw/zinc/54/34/51/1072543451.db2.gz WHXGSIPHIQCQRQ-UHFFFAOYSA-N 0 0 434.453 0.219 20 30 IBEDRN Cc1cc(S(=O)(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)ccc1C#N ZINC000443961557 1072595633 /nfs/dbraw/zinc/59/56/33/1072595633.db2.gz QODGSHILEAMSMU-UHFFFAOYSA-N 0 0 427.552 -0.335 20 30 IBEDRN N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000444027319 1072565150 /nfs/dbraw/zinc/56/51/50/1072565150.db2.gz CDAIBJIOWCSISP-GXTWGEPZSA-N 0 0 430.464 -0.757 20 30 IBEDRN N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000444027323 1072565281 /nfs/dbraw/zinc/56/52/81/1072565281.db2.gz CDAIBJIOWCSISP-JSGCOSHPSA-N 0 0 430.464 -0.757 20 30 IBEDRN N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000444027324 1072565373 /nfs/dbraw/zinc/56/53/73/1072565373.db2.gz CDAIBJIOWCSISP-OCCSQVGLSA-N 0 0 430.464 -0.757 20 30 IBEDRN N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000444027325 1072565143 /nfs/dbraw/zinc/56/51/43/1072565143.db2.gz CDAIBJIOWCSISP-TZMCWYRMSA-N 0 0 430.464 -0.757 20 30 IBEDRN C=CCNC(=O)CN1CCN(S(=O)(=O)c2ccccc2S(=O)(=O)NC2CC2)CC1 ZINC000444059125 1072571027 /nfs/dbraw/zinc/57/10/27/1072571027.db2.gz LUXPAYLJKCQHKK-UHFFFAOYSA-N 0 0 442.563 -0.264 20 30 IBEDRN C=CCNC(=O)CN1CCN(S(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)CC1 ZINC000444060593 1072571679 /nfs/dbraw/zinc/57/16/79/1072571679.db2.gz RMMCDMUMFXRMHD-UHFFFAOYSA-N 0 0 430.552 -0.455 20 30 IBEDRN C=CCn1c(C2CC2)nnc1S(=O)(=O)CCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000444406485 1072622676 /nfs/dbraw/zinc/62/26/76/1072622676.db2.gz XLSHMFWOKNFKMM-UHFFFAOYSA-N 0 0 433.494 -0.047 20 30 IBEDRN Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccn(CCC#N)n2)CC1 ZINC000444499981 1072636463 /nfs/dbraw/zinc/63/64/63/1072636463.db2.gz VCPXFDVNZJSSPY-UHFFFAOYSA-N 0 0 435.466 -0.127 20 30 IBEDRN COc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3ccn(CCC#N)n3)CC2)cc1 ZINC000444501489 1073347274 /nfs/dbraw/zinc/34/72/74/1073347274.db2.gz ILXOVGKFGXULMK-UHFFFAOYSA-N 0 0 446.489 0.277 20 30 IBEDRN CN(C)C(=O)Cn1ccc(NC(=O)C(=O)N2CCN(c3cccc(F)c3C#N)CC2)n1 ZINC000444502738 1072636893 /nfs/dbraw/zinc/63/68/93/1072636893.db2.gz RDBBLFVUPJEXOJ-UHFFFAOYSA-N 0 0 427.440 0.269 20 30 IBEDRN C[C@@H]1C[C@H](C)CN(C(=O)CN2CCN(C(=O)C(=O)Nc3ccn(CCC#N)n3)CC2)C1 ZINC000444502896 1072637005 /nfs/dbraw/zinc/63/70/05/1072637005.db2.gz RWKQRAGWYSWFSB-CALCHBBNSA-N 0 0 429.525 0.384 20 30 IBEDRN C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)C(=O)Nc3ccn(CCC#N)n3)CC2)C1 ZINC000444502897 1072636989 /nfs/dbraw/zinc/63/69/89/1072636989.db2.gz RWKQRAGWYSWFSB-IAGOWNOFSA-N 0 0 429.525 0.384 20 30 IBEDRN C[C@H]1C[C@H](C)CN(C(=O)CN2CCN(C(=O)C(=O)Nc3ccn(CCC#N)n3)CC2)C1 ZINC000444502898 1072636978 /nfs/dbraw/zinc/63/69/78/1072636978.db2.gz RWKQRAGWYSWFSB-IRXDYDNUSA-N 0 0 429.525 0.384 20 30 IBEDRN COCCn1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n1 ZINC000444503267 1072637464 /nfs/dbraw/zinc/63/74/64/1072637464.db2.gz CBKSZLQIMMYDBQ-UHFFFAOYSA-N 0 0 446.489 -0.127 20 30 IBEDRN CN(C)C(=O)Cn1ccc(NC(=O)C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)n1 ZINC000444503648 1073302927 /nfs/dbraw/zinc/30/29/27/1073302927.db2.gz WHSQDTNSGRWRDP-UHFFFAOYSA-N 0 0 437.504 0.516 20 30 IBEDRN N#CCCn1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n1 ZINC000444504002 1073311316 /nfs/dbraw/zinc/31/13/16/1073311316.db2.gz GHWPTPZNHYVAFC-UHFFFAOYSA-N 0 0 441.473 0.140 20 30 IBEDRN Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3ccn(CCC#N)n3)CC2)cc1 ZINC000444504339 1072638142 /nfs/dbraw/zinc/63/81/42/1072638142.db2.gz ZKXZHGLDSKPXAN-UHFFFAOYSA-N 0 0 430.490 0.577 20 30 IBEDRN COCCn1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 ZINC000444504777 1072638173 /nfs/dbraw/zinc/63/81/73/1072638173.db2.gz DKYIUUZLMOFYEX-UHFFFAOYSA-N 0 0 446.489 -0.127 20 30 IBEDRN Cn1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1=O ZINC000444504946 1072637505 /nfs/dbraw/zinc/63/75/05/1072637505.db2.gz JBYBDJHGGPABCE-UHFFFAOYSA-N 0 0 429.458 -0.271 20 30 IBEDRN N#CCCn1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3CCCCCC3)CC2)n1 ZINC000444506702 1073311378 /nfs/dbraw/zinc/31/13/78/1073311378.db2.gz LIPFCZMZYRZESJ-UHFFFAOYSA-N 0 0 437.526 0.000 20 30 IBEDRN Cn1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1=O ZINC000444507201 1072634671 /nfs/dbraw/zinc/63/46/71/1072634671.db2.gz NCSYMNPJUDOESF-UHFFFAOYSA-N 0 0 429.458 -0.271 20 30 IBEDRN N#CCCn1ccc(NC(=O)C(=O)N2CCN(CC(=O)N3CCc4ccccc43)CC2)n1 ZINC000444508647 1072635395 /nfs/dbraw/zinc/63/53/95/1072635395.db2.gz RJGBITMIEVXYLO-UHFFFAOYSA-N 0 0 435.488 0.469 20 30 IBEDRN N#CCCn1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)n1 ZINC000444508978 1072638724 /nfs/dbraw/zinc/63/87/24/1072638724.db2.gz ZADSUVQMMAFEFL-UHFFFAOYSA-N 0 0 430.490 0.409 20 30 IBEDRN N#CCCn1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 ZINC000444509355 1072641839 /nfs/dbraw/zinc/64/18/39/1072641839.db2.gz YAVZDDYVLZWKEV-UHFFFAOYSA-N 0 0 441.473 0.140 20 30 IBEDRN CN(C)C(=O)Cn1ccc(NC(=O)C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)n1 ZINC000444511504 1072641769 /nfs/dbraw/zinc/64/17/69/1072641769.db2.gz LTXOOLRGEOUAQQ-UHFFFAOYSA-N 0 0 427.440 0.269 20 30 IBEDRN CNS(=O)(=O)c1ccccc1N1CCN(C(=O)C(=O)Nc2ccn(CCC#N)n2)CC1 ZINC000444511772 1072641979 /nfs/dbraw/zinc/64/19/79/1072641979.db2.gz OKWUCCRSBMMWLP-UHFFFAOYSA-N 0 0 445.505 -0.008 20 30 IBEDRN COC(=O)c1ccsc1N1CC[C@@H](NC(=O)C(=O)Nc2ccn(CCC#N)n2)C1=O ZINC000444514554 1072639400 /nfs/dbraw/zinc/63/94/00/1072639400.db2.gz GIJBPDIVVXOUPJ-GFCCVEGCSA-N 0 0 430.446 0.505 20 30 IBEDRN COC(=O)c1ccsc1N1CC[C@H](NC(=O)C(=O)Nc2ccn(CCC#N)n2)C1=O ZINC000444514557 1072639370 /nfs/dbraw/zinc/63/93/70/1072639370.db2.gz GIJBPDIVVXOUPJ-LBPRGKRZSA-N 0 0 430.446 0.505 20 30 IBEDRN CC(C)OCCS(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccn(CCC#N)n2)CC1 ZINC000444518606 1072640086 /nfs/dbraw/zinc/64/00/86/1072640086.db2.gz IYTCCRXRKSPFRD-UHFFFAOYSA-N 0 0 426.499 -0.366 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(Br)cn(C)c2=O)CC1 ZINC000444523679 1072640658 /nfs/dbraw/zinc/64/06/58/1072640658.db2.gz OLIVUZPKEKRZQU-UHFFFAOYSA-N 0 0 440.298 -0.467 20 30 IBEDRN CCN1CCN(C(=O)CC2CCN(C(=O)C(=O)Nc3ccn(CCC#N)n3)CC2)CC1 ZINC000444566644 1072643692 /nfs/dbraw/zinc/64/36/92/1072643692.db2.gz DOXQRJSEWIZMOG-UHFFFAOYSA-N 0 0 429.525 0.528 20 30 IBEDRN C[C@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)C(=O)Nc3ccn(CCC#N)n3)CC2)C1 ZINC000444571011 1072644293 /nfs/dbraw/zinc/64/42/93/1072644293.db2.gz MARHBXNJPYSSCD-DLBZAZTESA-N 0 0 429.525 0.574 20 30 IBEDRN C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)C(=O)Nc3ccn(CCC#N)n3)CC2)C1 ZINC000444571015 1072644304 /nfs/dbraw/zinc/64/43/04/1072644304.db2.gz MARHBXNJPYSSCD-IAGOWNOFSA-N 0 0 429.525 0.574 20 30 IBEDRN C[C@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)C(=O)Nc3ccn(CCC#N)n3)CC2)C1 ZINC000444571431 1073312877 /nfs/dbraw/zinc/31/28/77/1073312877.db2.gz MARHBXNJPYSSCD-IRXDYDNUSA-N 0 0 429.525 0.574 20 30 IBEDRN C[C@@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)C(=O)Nc3ccn(CCC#N)n3)CC2)C1 ZINC000444571433 1072644281 /nfs/dbraw/zinc/64/42/81/1072644281.db2.gz MARHBXNJPYSSCD-SJORKVTESA-N 0 0 429.525 0.574 20 30 IBEDRN N#CCCn1ccc(NC(=O)C(=O)N2CCN(CCNC(=O)c3ccccc3F)CC2)n1 ZINC000444575569 1072644987 /nfs/dbraw/zinc/64/49/87/1072644987.db2.gz SRHAKHMBUXXKQL-UHFFFAOYSA-N 0 0 441.467 0.449 20 30 IBEDRN CC1CCC(NC(=O)CN2CCN(C(=O)C(=O)Nc3ccn(CCC#N)n3)CC2)CC1 ZINC000444583208 1072646897 /nfs/dbraw/zinc/64/68/97/1072646897.db2.gz QZFAANPHAXNFCS-UHFFFAOYSA-N 0 0 429.525 0.574 20 30 IBEDRN N#CCCn1ccc(NC(=O)C(=O)NCCN2CCN(C(=O)C3CCCCC3)CC2)n1 ZINC000444584481 1072646862 /nfs/dbraw/zinc/64/68/62/1072646862.db2.gz WNZUZJVXAGBUNZ-UHFFFAOYSA-N 0 0 429.525 0.576 20 30 IBEDRN N#CCCn1ccc(NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)n1 ZINC000444651046 1072649622 /nfs/dbraw/zinc/64/96/22/1072649622.db2.gz FKORMSRGWRKQLM-UHFFFAOYSA-N 0 0 439.480 -0.289 20 30 IBEDRN C[C@@H](O)CN1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 ZINC000444688441 1072652762 /nfs/dbraw/zinc/65/27/62/1072652762.db2.gz JUXIGJFVYXJNFI-QGZVFWFLSA-N 0 0 435.550 -0.610 20 30 IBEDRN COCc1noc(CN2CCN(CC(=O)N3CCN(c4oc(C)nc4C#N)CC3)CC2)n1 ZINC000444740106 1072654890 /nfs/dbraw/zinc/65/48/90/1072654890.db2.gz SRAIJKMIGHZTLE-UHFFFAOYSA-N 0 0 444.496 -0.150 20 30 IBEDRN COCc1noc(CN2CCN(C(=O)C(=O)Nc3nn(C(C)(C)C)cc3C#N)CC2)n1 ZINC000445160909 1073338474 /nfs/dbraw/zinc/33/84/74/1073338474.db2.gz IKEPTHGZNKODHQ-UHFFFAOYSA-N 0 0 430.469 0.322 20 30 IBEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@@H](O)[C@H]2C(=O)OC)cc1 ZINC000445189517 1072678453 /nfs/dbraw/zinc/67/84/53/1072678453.db2.gz ICXNHAHBEHBPEM-CVEARBPZSA-N 0 0 439.490 -0.044 20 30 IBEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@H](O)[C@H]2C(=O)OC)cc1 ZINC000445189538 1072678385 /nfs/dbraw/zinc/67/83/85/1072678385.db2.gz ICXNHAHBEHBPEM-HOTGVXAUSA-N 0 0 439.490 -0.044 20 30 IBEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@@H](O)[C@@H]2C(=O)OC)cc1 ZINC000445189541 1072678461 /nfs/dbraw/zinc/67/84/61/1072678461.db2.gz ICXNHAHBEHBPEM-HZPDHXFCSA-N 0 0 439.490 -0.044 20 30 IBEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@H](O)[C@@H]2C(=O)OC)cc1 ZINC000445189543 1072678969 /nfs/dbraw/zinc/67/89/69/1072678969.db2.gz ICXNHAHBEHBPEM-JKSUJKDBSA-N 0 0 439.490 -0.044 20 30 IBEDRN C[C@H]1CN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)CCN1CC(C)(C)O ZINC000445192152 1073313316 /nfs/dbraw/zinc/31/33/16/1073313316.db2.gz PWWLKIZVZNWROQ-HNNXBMFYSA-N 0 0 425.493 0.440 20 30 IBEDRN C[C@@H]1CN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)CCN1CC(C)(C)O ZINC000445192154 1073354719 /nfs/dbraw/zinc/35/47/19/1073354719.db2.gz PWWLKIZVZNWROQ-OAHLLOKOSA-N 0 0 425.493 0.440 20 30 IBEDRN N#CCCNS(=O)(=O)c1ccc(-c2nc(CC(=O)NCCN3CCOCC3)no2)cc1 ZINC000445281792 1072685699 /nfs/dbraw/zinc/68/56/99/1072685699.db2.gz AGGMRIAMRKEIIQ-UHFFFAOYSA-N 0 0 448.505 -0.081 20 30 IBEDRN Cc1ccc(-c2nc(CC(=O)NCCN3CCOCC3)no2)cc1S(=O)(=O)NCC#N ZINC000445282823 1072686430 /nfs/dbraw/zinc/68/64/30/1072686430.db2.gz DISIKGLQXBUBHI-UHFFFAOYSA-N 0 0 448.505 -0.162 20 30 IBEDRN COc1cc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C)c2=O)ccc1C ZINC000446167268 1072721945 /nfs/dbraw/zinc/72/19/45/1072721945.db2.gz BQAOMJGAERWVOV-UHFFFAOYSA-N 0 0 442.541 -0.285 20 30 IBEDRN COc1cc(C=c2sc(=C(C#N)C(=O)N3CCS(=O)(=O)CC3)n(C)c2=O)ccc1C ZINC000446173926 1072720976 /nfs/dbraw/zinc/72/09/76/1072720976.db2.gz YTTWYFPWGABADV-UHFFFAOYSA-N 0 0 447.538 -0.476 20 30 IBEDRN N#Cc1cc(F)c(C(=O)N2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)c(F)c1 ZINC000446310441 1072725750 /nfs/dbraw/zinc/72/57/50/1072725750.db2.gz GVXRKZVLFVONMR-CYBMUJFWSA-N 0 0 426.445 -0.102 20 30 IBEDRN N#Cc1cc(F)c(C(=O)N2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)c(F)c1 ZINC000446310442 1072725499 /nfs/dbraw/zinc/72/54/99/1072725499.db2.gz GVXRKZVLFVONMR-ZDUSSCGKSA-N 0 0 426.445 -0.102 20 30 IBEDRN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N=c1ccn(CC(=O)N2CCOCC2)[nH]1 ZINC000446493734 1072732629 /nfs/dbraw/zinc/73/26/29/1072732629.db2.gz HTOPZRUKXVPOOS-UHFFFAOYSA-N 0 0 435.448 -0.010 20 30 IBEDRN N#CCCN(CCN1CCOCC1)C(=O)C(=O)Nc1cnn(CCN2CCOCC2)c1 ZINC000446519476 1072733596 /nfs/dbraw/zinc/73/35/96/1072733596.db2.gz ANSAZAFMXAIEMJ-UHFFFAOYSA-N 0 0 433.513 -0.772 20 30 IBEDRN CN(C)S(=O)(=O)c1ccccc1NC(=O)C(=O)N(CCC#N)CCN1CCOCC1 ZINC000446525606 1072734212 /nfs/dbraw/zinc/73/42/12/1072734212.db2.gz YVLPSIAHCOQIQI-UHFFFAOYSA-N 0 0 437.522 -0.050 20 30 IBEDRN Cn1cnn(-c2ccc(NC(=O)C(=O)N(CCC#N)CCN3CCOCC3)cc2)c1=O ZINC000446525953 1072734182 /nfs/dbraw/zinc/73/41/82/1072734182.db2.gz DFXWKMKMZRRWQK-UHFFFAOYSA-N 0 0 427.465 -0.416 20 30 IBEDRN CCc1ccc(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)cc1S(N)(=O)=O ZINC000446526029 1072734761 /nfs/dbraw/zinc/73/47/61/1072734761.db2.gz FBXZGPMTIKXPON-UHFFFAOYSA-N 0 0 437.522 -0.091 20 30 IBEDRN CN(C)S(=O)(=O)c1cccc(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)c1 ZINC000446526301 1072734777 /nfs/dbraw/zinc/73/47/77/1072734777.db2.gz IHSSUBRMEHGPOZ-UHFFFAOYSA-N 0 0 437.522 -0.050 20 30 IBEDRN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N(CCC#N)CCN1CCOCC1 ZINC000446526378 1073344183 /nfs/dbraw/zinc/34/41/83/1073344183.db2.gz JDFMNWMCCAWMGW-UHFFFAOYSA-N 0 0 436.476 0.460 20 30 IBEDRN N#CCCN(CCN1CCOCC1)C(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 ZINC000446526672 1072734747 /nfs/dbraw/zinc/73/47/47/1072734747.db2.gz AVELWFZTHLIMIM-UHFFFAOYSA-N 0 0 436.476 0.211 20 30 IBEDRN CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N(CCC#N)CCN1CCOCC1)CC2 ZINC000446527099 1072735193 /nfs/dbraw/zinc/73/51/93/1072735193.db2.gz OVNAGQKQPAEVGW-UHFFFAOYSA-N 0 0 449.533 -0.442 20 30 IBEDRN COc1ccc(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)cc1-n1nnnc1C ZINC000446527193 1072735374 /nfs/dbraw/zinc/73/53/74/1072735374.db2.gz BCBZXWJAXOZMRL-UHFFFAOYSA-N 0 0 442.480 -0.008 20 30 IBEDRN CNS(=O)(=O)c1cc(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)ccc1C ZINC000446527296 1072735281 /nfs/dbraw/zinc/73/52/81/1072735281.db2.gz PYJGMPMZVRIWQE-UHFFFAOYSA-N 0 0 437.522 -0.084 20 30 IBEDRN CNC(=O)[C@H]1CN(C(=O)C(=O)N(CCC#N)CCN2CCOCC2)c2ccccc2O1 ZINC000446527414 1072734719 /nfs/dbraw/zinc/73/47/19/1072734719.db2.gz ARSXLHQANVSWDI-GOSISDBHSA-N 0 0 429.477 -0.399 20 30 IBEDRN CNC(=O)[C@@H]1CN(C(=O)C(=O)N(CCC#N)CCN2CCOCC2)c2ccccc2O1 ZINC000446527415 1072735401 /nfs/dbraw/zinc/73/54/01/1072735401.db2.gz ARSXLHQANVSWDI-SFHVURJKSA-N 0 0 429.477 -0.399 20 30 IBEDRN N#CCCN(CCN1CCOCC1)C(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 ZINC000446527538 1072734902 /nfs/dbraw/zinc/73/49/02/1072734902.db2.gz QZHZLEJOOAKURA-UHFFFAOYSA-N 0 0 429.481 -0.969 20 30 IBEDRN CS(=O)(=O)NCc1ccc(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)cc1 ZINC000446527803 1072734669 /nfs/dbraw/zinc/73/46/69/1072734669.db2.gz RPJKIHXYMOWHKB-UHFFFAOYSA-N 0 0 437.522 -0.251 20 30 IBEDRN N#CCCN(CCN1CCOCC1)C(=O)C(=O)Nc1ccc(C[C@H]2CC(=O)NC2=O)cc1 ZINC000446529429 1072735412 /nfs/dbraw/zinc/73/54/12/1072735412.db2.gz DBWSKJXSVFYPLI-KRWDZBQOSA-N 0 0 441.488 -0.095 20 30 IBEDRN N#CCCN(CCN1CCOCC1)C(=O)C(=O)Nc1ccc(C[C@@H]2CC(=O)NC2=O)cc1 ZINC000446529435 1072735205 /nfs/dbraw/zinc/73/52/05/1072735205.db2.gz DBWSKJXSVFYPLI-QGZVFWFLSA-N 0 0 441.488 -0.095 20 30 IBEDRN CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)c1 ZINC000446530587 1072735316 /nfs/dbraw/zinc/73/53/16/1072735316.db2.gz INLUFKSVYUTQJP-UHFFFAOYSA-N 0 0 437.522 -0.084 20 30 IBEDRN N#CCCN(CCN1CCOCC1)C(=O)C(=O)Nc1cc(F)cc(S(N)(=O)=O)c1 ZINC000446530936 1072735214 /nfs/dbraw/zinc/73/52/14/1072735214.db2.gz KGJICMUZFNVSHB-UHFFFAOYSA-N 0 0 427.458 -0.514 20 30 IBEDRN N#CCCN(CCN1CCOCC1)C(=O)C(=O)Nc1cccc(CN2C(=O)CNC2=O)c1 ZINC000446531170 1072735308 /nfs/dbraw/zinc/73/53/08/1072735308.db2.gz KQRGOPBUQOGTRK-UHFFFAOYSA-N 0 0 442.476 -0.249 20 30 IBEDRN N#CCCN(CCN1CCOCC1)C(=O)C(=O)Nc1cnn(CC(=O)NC2CCCC2)c1 ZINC000446531292 1072735268 /nfs/dbraw/zinc/73/52/68/1072735268.db2.gz PVUWIVLMYUQJGW-UHFFFAOYSA-N 0 0 445.524 -0.045 20 30 IBEDRN CNS(=O)(=O)c1cccc(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)c1C ZINC000446532327 1072735817 /nfs/dbraw/zinc/73/58/17/1072735817.db2.gz PZUQUYQUHNWFIX-UHFFFAOYSA-N 0 0 437.522 -0.084 20 30 IBEDRN COc1ccc(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)cc1-n1cnnn1 ZINC000446532709 1072735846 /nfs/dbraw/zinc/73/58/46/1072735846.db2.gz VCDOUGHPNAWAIH-UHFFFAOYSA-N 0 0 428.453 -0.316 20 30 IBEDRN Cc1cc(S(N)(=O)=O)cc(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)c1C ZINC000446532859 1072735323 /nfs/dbraw/zinc/73/53/23/1072735323.db2.gz SLQBRVBFMCTKAU-UHFFFAOYSA-N 0 0 437.522 -0.036 20 30 IBEDRN N#CCCN(CCN1CCOCC1)C(=O)C(=O)Nc1ccn(CCc2ccncc2)n1 ZINC000446533552 1072735929 /nfs/dbraw/zinc/73/59/29/1072735929.db2.gz XSHDJPJJUYZQCQ-UHFFFAOYSA-N 0 0 425.493 0.534 20 30 IBEDRN COCCN(C(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1)[C@H]1CCS(=O)(=O)C1 ZINC000446553601 1073332912 /nfs/dbraw/zinc/33/29/12/1073332912.db2.gz CUPDLRZLYBHVPF-AWEZNQCLSA-N 0 0 449.464 0.484 20 30 IBEDRN COCCN(C(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1)[C@@H]1CCS(=O)(=O)C1 ZINC000446553603 1073332591 /nfs/dbraw/zinc/33/25/91/1073332591.db2.gz CUPDLRZLYBHVPF-CQSZACIVSA-N 0 0 449.464 0.484 20 30 IBEDRN COCCN(C(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)[C@@H]1CCS(=O)(=O)C1 ZINC000446557430 1073333017 /nfs/dbraw/zinc/33/30/17/1073333017.db2.gz QGRMFGXMYZYWAK-CYBMUJFWSA-N 0 0 449.464 0.484 20 30 IBEDRN COCCN(C(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)[C@H]1CCS(=O)(=O)C1 ZINC000446557431 1073333004 /nfs/dbraw/zinc/33/30/04/1073333004.db2.gz QGRMFGXMYZYWAK-ZDUSSCGKSA-N 0 0 449.464 0.484 20 30 IBEDRN COCCCN(C(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N)[C@H]1CCS(=O)(=O)C1 ZINC000446559551 1073331928 /nfs/dbraw/zinc/33/19/28/1073331928.db2.gz VETUZLIDNFDLAU-AWEZNQCLSA-N 0 0 425.511 0.500 20 30 IBEDRN COCCCN(C(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N)[C@@H]1CCS(=O)(=O)C1 ZINC000446559552 1073331772 /nfs/dbraw/zinc/33/17/72/1073331772.db2.gz VETUZLIDNFDLAU-CQSZACIVSA-N 0 0 425.511 0.500 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2nn(-c3ncccc3F)cc2C)CC1 ZINC000446735447 1073303814 /nfs/dbraw/zinc/30/38/14/1073303814.db2.gz OPLNGTDEQJXAJV-UHFFFAOYSA-N 0 0 429.456 0.100 20 30 IBEDRN CN1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C(C)(C)C1=O ZINC000446735535 1072745336 /nfs/dbraw/zinc/74/53/36/1072745336.db2.gz KEWMUVBTLXFBGT-UHFFFAOYSA-N 0 0 433.534 -0.056 20 30 IBEDRN N#Cc1cccnc1-n1cc(NC(=O)C(=O)N2CCN(c3ncccc3C(N)=O)CC2)cn1 ZINC000446908666 1072754348 /nfs/dbraw/zinc/75/43/48/1072754348.db2.gz PJRSMBNLRDIRNF-UHFFFAOYSA-N 0 0 445.443 -0.080 20 30 IBEDRN CN(CC(=O)N1CCN(c2cncc3ncnn32)CC1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000446961463 1072756657 /nfs/dbraw/zinc/75/66/57/1072756657.db2.gz YUPRODVXMSNLOO-UHFFFAOYSA-N 0 0 440.489 -0.035 20 30 IBEDRN N#Cc1ccc(Cl)c(NC(=O)C(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)c1 ZINC000447251221 1072770839 /nfs/dbraw/zinc/77/08/39/1072770839.db2.gz TXGRYDDVVZRSLT-UHFFFAOYSA-N 0 0 441.897 -0.129 20 30 IBEDRN N#Cc1ccc(Cl)c(NC(=O)C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)c1 ZINC000447256322 1072771447 /nfs/dbraw/zinc/77/14/47/1072771447.db2.gz MYNMDBFARGWLRM-UHFFFAOYSA-N 0 0 433.852 -0.320 20 30 IBEDRN N#Cc1ccc(Cl)c(NC(=O)C(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)c1 ZINC000447261223 1072771347 /nfs/dbraw/zinc/77/13/47/1072771347.db2.gz UOAYCOVXCGXZJN-UHFFFAOYSA-N 0 0 431.836 -0.030 20 30 IBEDRN Cn1c(=O)c(=Cc2cc(Cl)cs2)sc1=C(C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000447262288 1072771393 /nfs/dbraw/zinc/77/13/93/1072771393.db2.gz CXNYJTVRTGLBFY-UHFFFAOYSA-N 0 0 443.959 -0.078 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2c(Br)cnn2C)c(=O)n1C ZINC000447268326 1072771537 /nfs/dbraw/zinc/77/15/37/1072771537.db2.gz UVABSGBJRDUVPP-UHFFFAOYSA-N 0 0 426.296 -0.792 20 30 IBEDRN Cn1ncc(Br)c1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(C)c1=O ZINC000447268449 1072771591 /nfs/dbraw/zinc/77/15/91/1072771591.db2.gz UZOKWXCLSPYWNN-UHFFFAOYSA-N 0 0 438.307 -0.695 20 30 IBEDRN CCn1c(=O)c(=Cc2c(Br)cnn2C)sc1=C(C#N)C(=O)NCCOC ZINC000447269379 1072771498 /nfs/dbraw/zinc/77/14/98/1072771498.db2.gz AWFZSULOQKGSKX-UHFFFAOYSA-N 0 0 440.323 -0.309 20 30 IBEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2c(Br)cnn2C)c(=O)n1C ZINC000447277145 1072771519 /nfs/dbraw/zinc/77/15/19/1072771519.db2.gz GKEPJMVNTJZZGR-UHFFFAOYSA-N 0 0 440.323 -0.401 20 30 IBEDRN Cn1c(=O)c(=Cc2sccc2Cl)sc1=C(C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000447280564 1072771525 /nfs/dbraw/zinc/77/15/25/1072771525.db2.gz MPRLEULADXDKPH-UHFFFAOYSA-N 0 0 443.959 -0.078 20 30 IBEDRN CS(=O)(=O)[C@H]1CCCCN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C1 ZINC000447366187 1072774845 /nfs/dbraw/zinc/77/48/45/1072774845.db2.gz SCGCXLJCIMAIOU-INIZCTEOSA-N 0 0 430.490 0.562 20 30 IBEDRN CS(=O)(=O)[C@@H]1CCCCN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C1 ZINC000447366191 1072774862 /nfs/dbraw/zinc/77/48/62/1072774862.db2.gz SCGCXLJCIMAIOU-MRXNPFEDSA-N 0 0 430.490 0.562 20 30 IBEDRN CNC(=O)Cn1cnc(NC(=O)C(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)n1 ZINC000447430123 1072777085 /nfs/dbraw/zinc/77/70/85/1072777085.db2.gz DLZFPJVGFOQCIP-UHFFFAOYSA-N 0 0 430.856 -0.164 20 30 IBEDRN CC1(C)CCN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)CCS1(=O)=O ZINC000447461005 1073325536 /nfs/dbraw/zinc/32/55/36/1073325536.db2.gz NIZIJVKELCJDSR-UHFFFAOYSA-N 0 0 430.490 0.562 20 30 IBEDRN CN(C)S(=O)(=O)CCCS(=O)(=O)N1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000447757859 1072790795 /nfs/dbraw/zinc/79/07/95/1072790795.db2.gz KALKTACBQZRWCK-CXAGYDPISA-N 0 0 426.520 -0.057 20 30 IBEDRN CN(C)S(=O)(=O)CCCS(=O)(=O)N1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000447757863 1072790823 /nfs/dbraw/zinc/79/08/23/1072790823.db2.gz KALKTACBQZRWCK-DYVFJYSZSA-N 0 0 426.520 -0.057 20 30 IBEDRN CN(C)S(=O)(=O)CCCS(=O)(=O)N1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000447757865 1072790782 /nfs/dbraw/zinc/79/07/82/1072790782.db2.gz KALKTACBQZRWCK-GUYCJALGSA-N 0 0 426.520 -0.057 20 30 IBEDRN CN(C)S(=O)(=O)CCCS(=O)(=O)N1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000447757867 1072790758 /nfs/dbraw/zinc/79/07/58/1072790758.db2.gz KALKTACBQZRWCK-SUMWQHHRSA-N 0 0 426.520 -0.057 20 30 IBEDRN CN(C)S(=O)(=O)CCCS(=O)(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000447766891 1072791283 /nfs/dbraw/zinc/79/12/83/1072791283.db2.gz PDACMLDAPWZVJG-INIZCTEOSA-N 0 0 428.536 -0.140 20 30 IBEDRN CN(C)S(=O)(=O)CCCS(=O)(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000447766893 1072791272 /nfs/dbraw/zinc/79/12/72/1072791272.db2.gz PDACMLDAPWZVJG-MRXNPFEDSA-N 0 0 428.536 -0.140 20 30 IBEDRN N#C[C@H]1N(CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CCC[C@]12CCCCO2 ZINC000447915247 1072796718 /nfs/dbraw/zinc/79/67/18/1072796718.db2.gz MPVOXYULIBVOKV-DENIHFKCSA-N 0 0 433.553 -0.083 20 30 IBEDRN N#C[C@H]1N(CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CCC[C@@]12CCCCO2 ZINC000447915248 1072796558 /nfs/dbraw/zinc/79/65/58/1072796558.db2.gz MPVOXYULIBVOKV-KNQAVFIVSA-N 0 0 433.553 -0.083 20 30 IBEDRN N#C[C@@H]1N(CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CCC[C@]12CCCCO2 ZINC000447915249 1072796604 /nfs/dbraw/zinc/79/66/04/1072796604.db2.gz MPVOXYULIBVOKV-SIKLNZKXSA-N 0 0 433.553 -0.083 20 30 IBEDRN N#C[C@@H]1N(CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CCC[C@@]12CCCCO2 ZINC000447915250 1072796592 /nfs/dbraw/zinc/79/65/92/1072796592.db2.gz MPVOXYULIBVOKV-UGKGYDQZSA-N 0 0 433.553 -0.083 20 30 IBEDRN COC(=O)[C@@H]1CNC(=O)CN1CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000447920764 1072797325 /nfs/dbraw/zinc/79/73/25/1072797325.db2.gz YDJOEZBDBQJZKQ-AWEZNQCLSA-N 0 0 442.432 -0.572 20 30 IBEDRN COC(=O)[C@H]1CNC(=O)CN1CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000447920765 1072797345 /nfs/dbraw/zinc/79/73/45/1072797345.db2.gz YDJOEZBDBQJZKQ-CQSZACIVSA-N 0 0 442.432 -0.572 20 30 IBEDRN CCOC(=O)C=c1sc(=Cc2ccc(C#N)cc2F)c(=O)n1CC(=O)NCCOC ZINC000448107914 1072802434 /nfs/dbraw/zinc/80/24/34/1072802434.db2.gz IHEMUYDCOMFGKB-UHFFFAOYSA-N 0 0 433.461 -0.144 20 30 IBEDRN CCOC(=O)C=c1sc(=Cc2ccc(C#N)cc2F)c(=O)n1CC(=O)N1CCOCC1 ZINC000448119723 1072802844 /nfs/dbraw/zinc/80/28/44/1072802844.db2.gz QREJXJPWWODXBE-UHFFFAOYSA-N 0 0 445.472 -0.048 20 30 IBEDRN C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCNS(=O)(=O)c1cccnc1 ZINC000448421221 1072813516 /nfs/dbraw/zinc/81/35/16/1072813516.db2.gz KYXZZOGBMITSFP-CYBMUJFWSA-N 0 0 437.503 -0.285 20 30 IBEDRN C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCNS(=O)(=O)c1cccnc1 ZINC000448421222 1072813459 /nfs/dbraw/zinc/81/34/59/1072813459.db2.gz KYXZZOGBMITSFP-ZDUSSCGKSA-N 0 0 437.503 -0.285 20 30 IBEDRN C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCNS(=O)(=O)c1cccnc1 ZINC000448425693 1072814068 /nfs/dbraw/zinc/81/40/68/1072814068.db2.gz LICKBAPHWJUIBA-CYBMUJFWSA-N 0 0 437.503 -0.285 20 30 IBEDRN C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCNS(=O)(=O)c1cccnc1 ZINC000448425694 1072814054 /nfs/dbraw/zinc/81/40/54/1072814054.db2.gz LICKBAPHWJUIBA-ZDUSSCGKSA-N 0 0 437.503 -0.285 20 30 IBEDRN Cc1ccc(C(=O)NCCNS(=O)(=O)c2cccnc2)cc1S(=O)(=O)NCC#N ZINC000448459901 1072816229 /nfs/dbraw/zinc/81/62/29/1072816229.db2.gz TWRHQDDRWXDXHV-UHFFFAOYSA-N 0 0 437.503 -0.100 20 30 IBEDRN N#Cc1cccnc1N1CCN(C(=O)C(=O)Nc2ccn(CCN3CCOCC3)n2)CC1 ZINC000448476627 1073316262 /nfs/dbraw/zinc/31/62/62/1073316262.db2.gz BJIOXNXTPLIXEO-UHFFFAOYSA-N 0 0 438.492 -0.231 20 30 IBEDRN N#Cc1cccnc1N1CCN(C(=O)C(=O)Nc2cnn(CCN3CCOCC3)c2)CC1 ZINC000448477778 1072818681 /nfs/dbraw/zinc/81/86/81/1072818681.db2.gz IZJIRFHFRUMGHC-UHFFFAOYSA-N 0 0 438.492 -0.231 20 30 IBEDRN N#Cc1ccnc(N2CCN(C(=O)C(=O)Nc3ccn(CCN4CCOCC4)n3)CC2)c1 ZINC000448481982 1073316226 /nfs/dbraw/zinc/31/62/26/1073316226.db2.gz SKHLIGXHICVRKD-UHFFFAOYSA-N 0 0 438.492 -0.231 20 30 IBEDRN N#Cc1ccnc(N2CCN(C(=O)C(=O)Nc3cnn(CCN4CCOCC4)c3)CC2)c1 ZINC000448482799 1072816142 /nfs/dbraw/zinc/81/61/42/1072816142.db2.gz YFYJIAXFDZYYFW-UHFFFAOYSA-N 0 0 438.492 -0.231 20 30 IBEDRN N#Cc1ccc(N2CCN(C(=O)C(=O)Nc3cnn(CCN4CCOCC4)c3)CC2)nc1 ZINC000448495770 1072818771 /nfs/dbraw/zinc/81/87/71/1072818771.db2.gz MKBPWCLFZABWBB-UHFFFAOYSA-N 0 0 438.492 -0.231 20 30 IBEDRN N#Cc1ccc(N2CCN(C(=O)C(=O)Nc3ccn(CCN4CCOCC4)n3)CC2)nc1 ZINC000448495791 1073313975 /nfs/dbraw/zinc/31/39/75/1073313975.db2.gz MUOKBHTUXBZDLZ-UHFFFAOYSA-N 0 0 438.492 -0.231 20 30 IBEDRN C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCNS(=O)(=O)c1cccnc1 ZINC000448524436 1072822242 /nfs/dbraw/zinc/82/22/42/1072822242.db2.gz HYLLVQOHOWYEPX-AWEZNQCLSA-N 0 0 430.494 -0.058 20 30 IBEDRN C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCNS(=O)(=O)c1cccnc1 ZINC000448524437 1072822322 /nfs/dbraw/zinc/82/23/22/1072822322.db2.gz HYLLVQOHOWYEPX-CQSZACIVSA-N 0 0 430.494 -0.058 20 30 IBEDRN COC(=O)CN(CC#N)C(=O)c1cc(S(=O)(=O)N2CCOCC2)cc(OC)c1OC ZINC000460135746 1073534398 /nfs/dbraw/zinc/53/43/98/1073534398.db2.gz NSPKVDUBJFJVHV-UHFFFAOYSA-N 0 0 441.462 -0.137 20 30 IBEDRN CN1CCN(S(=O)(=O)N2CCN(S(=O)(=O)CC3(C#N)CCCCC3)CC2)CC1 ZINC000460472693 1073030143 /nfs/dbraw/zinc/03/01/43/1073030143.db2.gz QVPZIPKXJHZUKX-UHFFFAOYSA-N 0 0 433.600 -0.100 20 30 IBEDRN COC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 ZINC000460491412 1073050612 /nfs/dbraw/zinc/05/06/12/1073050612.db2.gz NPMQZBVGAYMCDG-AWEZNQCLSA-N 0 0 429.476 -0.709 20 30 IBEDRN COC(=O)[C@H]1CS(=O)(=O)CCN1C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 ZINC000460491414 1073050594 /nfs/dbraw/zinc/05/05/94/1073050594.db2.gz NPMQZBVGAYMCDG-CQSZACIVSA-N 0 0 429.476 -0.709 20 30 IBEDRN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCCCn1nc2n(c1=O)CCCC2 ZINC000460577619 1073119237 /nfs/dbraw/zinc/11/92/37/1073119237.db2.gz FATLIFHMWTZNIZ-UHFFFAOYSA-N 0 0 449.475 0.287 20 30 IBEDRN N#Cc1cccnc1-n1cc(NC(=O)C(=O)NCCN2CCN(c3ncccn3)CC2)cn1 ZINC000460580443 1073119602 /nfs/dbraw/zinc/11/96/02/1073119602.db2.gz CBSAXBINPFTVKW-UHFFFAOYSA-N 0 0 446.475 -0.194 20 30 IBEDRN COc1cc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)ncn1 ZINC000460585906 1073119630 /nfs/dbraw/zinc/11/96/30/1073119630.db2.gz MNZPMEBGYGPSGM-UHFFFAOYSA-N 0 0 430.446 -0.172 20 30 IBEDRN CCN(CCCNC(=O)C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C)S(C)(=O)=O ZINC000460585955 1073119694 /nfs/dbraw/zinc/11/96/94/1073119694.db2.gz VKSCABOTYSLYJT-UHFFFAOYSA-N 0 0 433.494 0.174 20 30 IBEDRN N#Cc1cccnc1-n1cc(NC(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)cn1 ZINC000460586150 1072562256 /nfs/dbraw/zinc/56/22/56/1072562256.db2.gz QDWPRYKHSMNRSI-UHFFFAOYSA-N 0 0 449.518 -0.428 20 30 IBEDRN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCN(CC(=O)NC2CC2)CC1 ZINC000460587858 1073344568 /nfs/dbraw/zinc/34/45/68/1073344568.db2.gz DPBXGWIRQAFREI-UHFFFAOYSA-N 0 0 436.476 -0.191 20 30 IBEDRN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000460589445 1073119112 /nfs/dbraw/zinc/11/91/12/1073119112.db2.gz ATCHCTXHLZDYRQ-INIZCTEOSA-N 0 0 437.460 0.236 20 30 IBEDRN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000460589451 1073119121 /nfs/dbraw/zinc/11/91/21/1073119121.db2.gz ATCHCTXHLZDYRQ-MRXNPFEDSA-N 0 0 437.460 0.236 20 30 IBEDRN N#Cc1cccnc1-n1cc(NC(=O)C(=O)N2CCN(c3ccc(C(N)=O)cn3)CC2)cn1 ZINC000460590881 1072562224 /nfs/dbraw/zinc/56/22/24/1072562224.db2.gz FHFGSVKLUPAEMM-UHFFFAOYSA-N 0 0 445.443 -0.080 20 30 IBEDRN COc1cc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)ncn1 ZINC000460590913 1072562121 /nfs/dbraw/zinc/56/21/21/1072562121.db2.gz FMRCHRWACVCEAD-UHFFFAOYSA-N 0 0 430.446 -0.172 20 30 IBEDRN N#Cc1cccnc1-n1cc(NC(=O)C(=O)NCCCn2nc3n(c2=O)CCCC3)cn1 ZINC000460592507 1073120124 /nfs/dbraw/zinc/12/01/24/1073120124.db2.gz UANNACNMZWWNGR-UHFFFAOYSA-N 0 0 435.448 -0.022 20 30 IBEDRN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCCN(S(C)(=O)=O)CC1 ZINC000460592733 1073344591 /nfs/dbraw/zinc/34/45/91/1073344591.db2.gz VHIZXNGMSOUZAY-UHFFFAOYSA-N 0 0 431.478 -0.120 20 30 IBEDRN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCN(Cc2nccn2C)CC1 ZINC000460593816 1073119734 /nfs/dbraw/zinc/11/97/34/1073119734.db2.gz BNBWPTPVNLXVMM-UHFFFAOYSA-N 0 0 433.476 0.464 20 30 IBEDRN N#Cc1cccnc1-n1cc(NC(=O)C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)cn1 ZINC000460596843 1072562776 /nfs/dbraw/zinc/56/27/76/1072562776.db2.gz KXWPCGHQUGMETO-UHFFFAOYSA-N 0 0 436.432 -0.973 20 30 IBEDRN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCCS(=O)(=O)NCC1CCC1 ZINC000460597571 1073119721 /nfs/dbraw/zinc/11/97/21/1073119721.db2.gz FYZDOAJAUPMFGI-UHFFFAOYSA-N 0 0 445.505 0.222 20 30 IBEDRN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCN(Cc2cnn(C)c2)CC1 ZINC000460597704 1073119855 /nfs/dbraw/zinc/11/98/55/1073119855.db2.gz MXMZVQZJMYABLN-UHFFFAOYSA-N 0 0 433.476 0.464 20 30 IBEDRN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000460598044 1073119608 /nfs/dbraw/zinc/11/96/08/1073119608.db2.gz LYTQSWUYPBZVNZ-AWEZNQCLSA-N 0 0 431.478 -0.074 20 30 IBEDRN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000460598059 1073119685 /nfs/dbraw/zinc/11/96/85/1073119685.db2.gz LYTQSWUYPBZVNZ-CQSZACIVSA-N 0 0 431.478 -0.074 20 30 IBEDRN N#Cc1cccnc1-n1cc(NC(=O)C(=O)NCCS(=O)(=O)NCC2CCC2)cn1 ZINC000460600261 1072562755 /nfs/dbraw/zinc/56/27/55/1072562755.db2.gz KXWNODGFGPOMCJ-UHFFFAOYSA-N 0 0 431.478 -0.087 20 30 IBEDRN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCN(Cc2nc(C)no2)CC1 ZINC000460603442 1073120187 /nfs/dbraw/zinc/12/01/87/1073120187.db2.gz ADRNNWZSMONOPY-UHFFFAOYSA-N 0 0 435.448 0.422 20 30 IBEDRN CCS(=O)(=O)N(C)CCCNC(=O)C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C ZINC000460605231 1073120200 /nfs/dbraw/zinc/12/02/00/1073120200.db2.gz JEFIEDFQXCIOCP-UHFFFAOYSA-N 0 0 433.494 0.174 20 30 IBEDRN CCS(=O)(=O)NC1CCN(C(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)CC1 ZINC000460605451 1073120114 /nfs/dbraw/zinc/12/01/14/1073120114.db2.gz HDJLJVKMHVFFQY-UHFFFAOYSA-N 0 0 445.505 0.316 20 30 IBEDRN CCN(CC)S(=O)(=O)CCNC(=O)C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C ZINC000460608987 1073335503 /nfs/dbraw/zinc/33/55/03/1073335503.db2.gz BBEYPMPPFSKQMO-UHFFFAOYSA-N 0 0 433.494 0.174 20 30 IBEDRN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCN(CC(=O)NC(C)C)CC1 ZINC000460611125 1073344758 /nfs/dbraw/zinc/34/47/58/1073344758.db2.gz IVOCPHOTLZEIHS-UHFFFAOYSA-N 0 0 438.492 0.055 20 30 IBEDRN N#Cc1cccnc1-n1cc(NC(=O)C(=O)N2CCN(CC(=O)N3CCCC3)CC2)cn1 ZINC000460611731 1072566333 /nfs/dbraw/zinc/56/63/33/1072566333.db2.gz LICTVTQAECCMMF-UHFFFAOYSA-N 0 0 436.476 -0.156 20 30 IBEDRN CC(C)NC(=O)C(=O)N1CCN(C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 ZINC000460614891 1072566040 /nfs/dbraw/zinc/56/60/40/1072566040.db2.gz QJTWYDVXTNTMKB-UHFFFAOYSA-N 0 0 438.448 -0.727 20 30 IBEDRN CCS(=O)(=O)N1CCN(C(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)CC1 ZINC000460616944 1073345150 /nfs/dbraw/zinc/34/51/50/1073345150.db2.gz YKKWTEGBMHXMQS-UHFFFAOYSA-N 0 0 431.478 -0.120 20 30 IBEDRN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000460619777 1073121060 /nfs/dbraw/zinc/12/10/60/1073121060.db2.gz QHEQUZQESCKLQE-HNNXBMFYSA-N 0 0 445.505 0.174 20 30 IBEDRN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000460619778 1073120991 /nfs/dbraw/zinc/12/09/91/1073120991.db2.gz QHEQUZQESCKLQE-OAHLLOKOSA-N 0 0 445.505 0.174 20 30 IBEDRN COC(=O)c1cn([C@H]2CCN(C(=O)C(=O)Nc3cnn(-c4ncccc4C#N)c3)C2)nn1 ZINC000460668562 1072576997 /nfs/dbraw/zinc/57/69/97/1072576997.db2.gz BSFSVZNDNTXTFV-AWEZNQCLSA-N 0 0 435.404 -0.071 20 30 IBEDRN COC(=O)c1cn([C@@H]2CCN(C(=O)C(=O)Nc3cnn(-c4ncccc4C#N)c3)C2)nn1 ZINC000460668563 1072576890 /nfs/dbraw/zinc/57/68/90/1072576890.db2.gz BSFSVZNDNTXTFV-CQSZACIVSA-N 0 0 435.404 -0.071 20 30 IBEDRN COC(=O)c1cn([C@H]2CCN(C(=O)C(=O)Nc3nn(-c4ccc(C#N)cn4)cc3C)C2)nn1 ZINC000460672083 1073123905 /nfs/dbraw/zinc/12/39/05/1073123905.db2.gz CENLEZORFACDEB-AWEZNQCLSA-N 0 0 449.431 0.238 20 30 IBEDRN COC(=O)c1cn([C@@H]2CCN(C(=O)C(=O)Nc3nn(-c4ccc(C#N)cn4)cc3C)C2)nn1 ZINC000460672084 1073123739 /nfs/dbraw/zinc/12/37/39/1073123739.db2.gz CENLEZORFACDEB-CQSZACIVSA-N 0 0 449.431 0.238 20 30 IBEDRN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O ZINC000460683325 1073123297 /nfs/dbraw/zinc/12/32/97/1073123297.db2.gz ACNLSEGGTDVXCK-HNNXBMFYSA-N 0 0 447.459 0.431 20 30 IBEDRN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O ZINC000460683326 1073123253 /nfs/dbraw/zinc/12/32/53/1073123253.db2.gz ACNLSEGGTDVXCK-OAHLLOKOSA-N 0 0 447.459 0.431 20 30 IBEDRN COc1ccnc(N2CCN(C(=O)C(=O)Nc3nn(-c4ccc(C#N)cn4)cc3C)CC2)n1 ZINC000460684199 1073123289 /nfs/dbraw/zinc/12/32/89/1073123289.db2.gz FEDUJSDVGDTLSW-UHFFFAOYSA-N 0 0 447.459 0.533 20 30 IBEDRN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000460684724 1073123243 /nfs/dbraw/zinc/12/32/43/1073123243.db2.gz PJRHZCNYPNVSCA-CQSZACIVSA-N 0 0 431.478 -0.074 20 30 IBEDRN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCN(c2nccn(C)c2=O)CC1 ZINC000460685973 1073344730 /nfs/dbraw/zinc/34/47/30/1073344730.db2.gz BTNUIJWPTQFSCW-UHFFFAOYSA-N 0 0 447.459 -0.172 20 30 IBEDRN COC(=O)C[C@H](C)N1CCN(C(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)CC1 ZINC000460689258 1073124784 /nfs/dbraw/zinc/12/47/84/1073124784.db2.gz JSTVRBLQNALHER-HNNXBMFYSA-N 0 0 439.476 0.482 20 30 IBEDRN COC(=O)C[C@@H](C)N1CCN(C(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)CC1 ZINC000460689269 1073124917 /nfs/dbraw/zinc/12/49/17/1073124917.db2.gz JSTVRBLQNALHER-OAHLLOKOSA-N 0 0 439.476 0.482 20 30 IBEDRN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CC[C@H](S(=O)(=O)NC(C)C)C1 ZINC000460693432 1073125633 /nfs/dbraw/zinc/12/56/33/1073125633.db2.gz TYXBKHYAMQXBQI-HNNXBMFYSA-N 0 0 445.505 0.315 20 30 IBEDRN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CC[C@@H](S(=O)(=O)NC(C)C)C1 ZINC000460693434 1073125489 /nfs/dbraw/zinc/12/54/89/1073125489.db2.gz TYXBKHYAMQXBQI-OAHLLOKOSA-N 0 0 445.505 0.315 20 30 IBEDRN COC(=O)[C@@H](O)C1CCN(C(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)CC1 ZINC000460695593 1073125581 /nfs/dbraw/zinc/12/55/81/1073125581.db2.gz HXGCQKSRVUSPMH-INIZCTEOSA-N 0 0 426.433 0.158 20 30 IBEDRN COC(=O)[C@H](O)C1CCN(C(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)CC1 ZINC000460695597 1073125608 /nfs/dbraw/zinc/12/56/08/1073125608.db2.gz HXGCQKSRVUSPMH-MRXNPFEDSA-N 0 0 426.433 0.158 20 30 IBEDRN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NC[C@H]1CCC[C@@H]1NS(C)(=O)=O ZINC000460697501 1073123902 /nfs/dbraw/zinc/12/39/02/1073123902.db2.gz BIJCOFHYXOZMDT-CABCVRRESA-N 0 0 445.505 0.220 20 30 IBEDRN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NC[C@@H]1CCC[C@@H]1NS(C)(=O)=O ZINC000460697502 1073123775 /nfs/dbraw/zinc/12/37/75/1073123775.db2.gz BIJCOFHYXOZMDT-GJZGRUSLSA-N 0 0 445.505 0.220 20 30 IBEDRN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NC[C@H]1CCC[C@H]1NS(C)(=O)=O ZINC000460697503 1073124413 /nfs/dbraw/zinc/12/44/13/1073124413.db2.gz BIJCOFHYXOZMDT-HUUCEWRRSA-N 0 0 445.505 0.220 20 30 IBEDRN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NC[C@@H]1CCC[C@H]1NS(C)(=O)=O ZINC000460697504 1073123883 /nfs/dbraw/zinc/12/38/83/1073123883.db2.gz BIJCOFHYXOZMDT-LSDHHAIUSA-N 0 0 445.505 0.220 20 30 IBEDRN Cc1cc(N2CC[C@H](NC(=O)C(=O)Nc3nn(-c4ccc(C#N)cn4)cc3C)C2=O)n(C)n1 ZINC000460705363 1073321489 /nfs/dbraw/zinc/32/14/89/1073321489.db2.gz OBIXNAOHWSGMQC-HNNXBMFYSA-N 0 0 447.459 0.350 20 30 IBEDRN Cc1cc(N2CC[C@@H](NC(=O)C(=O)Nc3nn(-c4ccc(C#N)cn4)cc3C)C2=O)n(C)n1 ZINC000460705499 1073321334 /nfs/dbraw/zinc/32/13/34/1073321334.db2.gz OBIXNAOHWSGMQC-OAHLLOKOSA-N 0 0 447.459 0.350 20 30 IBEDRN COC(=O)CCN1CC[C@H](NC(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)C1=O ZINC000460712223 1071339261 /nfs/dbraw/zinc/33/92/61/1071339261.db2.gz ATXCAEGWUNQKSO-AWEZNQCLSA-N 0 0 439.432 -0.334 20 30 IBEDRN COC(=O)CCN1CC[C@@H](NC(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)C1=O ZINC000460712224 1073126647 /nfs/dbraw/zinc/12/66/47/1073126647.db2.gz ATXCAEGWUNQKSO-CQSZACIVSA-N 0 0 439.432 -0.334 20 30 IBEDRN CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)C1 ZINC000460715548 1073125640 /nfs/dbraw/zinc/12/56/40/1073125640.db2.gz RUFUTKPCDCHJKL-AWEZNQCLSA-N 0 0 431.478 -0.074 20 30 IBEDRN CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)C1 ZINC000460715549 1073337974 /nfs/dbraw/zinc/33/79/74/1073337974.db2.gz RUFUTKPCDCHJKL-CQSZACIVSA-N 0 0 431.478 -0.074 20 30 IBEDRN CS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000460718840 1072586014 /nfs/dbraw/zinc/58/60/14/1072586014.db2.gz MIJJZWNEUZPDDS-DZGCQCFKSA-N 0 0 431.478 -0.088 20 30 IBEDRN CS(=O)(=O)N[C@H]1CCC[C@@H]1CNC(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000460718841 1072585077 /nfs/dbraw/zinc/58/50/77/1072585077.db2.gz MIJJZWNEUZPDDS-HIFRSBDPSA-N 0 0 431.478 -0.088 20 30 IBEDRN CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000460718842 1072585365 /nfs/dbraw/zinc/58/53/65/1072585365.db2.gz MIJJZWNEUZPDDS-UKRRQHHQSA-N 0 0 431.478 -0.088 20 30 IBEDRN CS(=O)(=O)N[C@H]1CCC[C@H]1CNC(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000460718843 1073125629 /nfs/dbraw/zinc/12/56/29/1073125629.db2.gz MIJJZWNEUZPDDS-ZFWWWQNUSA-N 0 0 431.478 -0.088 20 30 IBEDRN CCOC(=O)C1(O)CCN(C(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)CC1 ZINC000460720301 1073338517 /nfs/dbraw/zinc/33/85/17/1073338517.db2.gz PAZVCDYUQDBBNE-UHFFFAOYSA-N 0 0 426.433 0.303 20 30 IBEDRN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCO[C@H](Cn2nc(C)nc2C)C1 ZINC000460721170 1073126252 /nfs/dbraw/zinc/12/62/52/1073126252.db2.gz YGABJPNVAJIURQ-KRWDZBQOSA-N 0 0 449.475 0.522 20 30 IBEDRN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCO[C@@H](Cn2nc(C)nc2C)C1 ZINC000460721174 1073126168 /nfs/dbraw/zinc/12/61/68/1073126168.db2.gz YGABJPNVAJIURQ-QGZVFWFLSA-N 0 0 449.475 0.522 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)CC1 ZINC000460724711 1073303784 /nfs/dbraw/zinc/30/37/84/1073303784.db2.gz IMARYMMQIGMDCS-UHFFFAOYSA-N 0 0 436.476 -0.168 20 30 IBEDRN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCN(CCC(=O)N(C)C)CC1 ZINC000460726093 1073126236 /nfs/dbraw/zinc/12/62/36/1073126236.db2.gz MDLDAUAXGGLYAD-UHFFFAOYSA-N 0 0 438.492 0.008 20 30 IBEDRN C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 ZINC000460726604 1072587045 /nfs/dbraw/zinc/58/70/45/1072587045.db2.gz NCDNTLCFLSJUNJ-AWEZNQCLSA-N 0 0 436.476 -0.111 20 30 IBEDRN C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 ZINC000460726605 1072586785 /nfs/dbraw/zinc/58/67/85/1072586785.db2.gz NCDNTLCFLSJUNJ-CQSZACIVSA-N 0 0 436.476 -0.111 20 30 IBEDRN CC[C@H](NC(=O)C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C)C(=O)N1CCOCC1 ZINC000460727970 1073126187 /nfs/dbraw/zinc/12/61/87/1073126187.db2.gz PZEZRFMUSYVSRL-HNNXBMFYSA-N 0 0 425.449 0.140 20 30 IBEDRN CC[C@@H](NC(=O)C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C)C(=O)N1CCOCC1 ZINC000460728325 1073126206 /nfs/dbraw/zinc/12/62/06/1073126206.db2.gz PZEZRFMUSYVSRL-OAHLLOKOSA-N 0 0 425.449 0.140 20 30 IBEDRN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000460731029 1073126641 /nfs/dbraw/zinc/12/66/41/1073126641.db2.gz XDSMKYXIJHREJB-UHFFFAOYSA-N 0 0 433.432 -0.005 20 30 IBEDRN COCCN(C(=O)CNc1nn(-c2ccc(C#N)cn2)cc1C)[C@H]1CCS(=O)(=O)C1 ZINC000460761549 1073127793 /nfs/dbraw/zinc/12/77/93/1073127793.db2.gz WGDRFRODALJQNC-INIZCTEOSA-N 0 0 432.506 0.521 20 30 IBEDRN COCCN(C(=O)CNc1nn(-c2ccc(C#N)cn2)cc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000460761550 1073127850 /nfs/dbraw/zinc/12/78/50/1073127850.db2.gz WGDRFRODALJQNC-MRXNPFEDSA-N 0 0 432.506 0.521 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)c2ccc(S(=O)(=O)CC(=O)N(C)C)cc2)CC1 ZINC000460794618 1071344077 /nfs/dbraw/zinc/34/40/77/1071344077.db2.gz ACCUYKIHWWANLL-UHFFFAOYSA-N 0 0 436.534 -0.392 20 30 IBEDRN C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC(=O)N1CCOCC1 ZINC000460807695 1073128394 /nfs/dbraw/zinc/12/83/94/1073128394.db2.gz FMQCMZIWZRKVDA-HNNXBMFYSA-N 0 0 442.542 -0.518 20 30 IBEDRN C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC(=O)N1CCOCC1 ZINC000460807696 1073128322 /nfs/dbraw/zinc/12/83/22/1073128322.db2.gz FMQCMZIWZRKVDA-OAHLLOKOSA-N 0 0 442.542 -0.518 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)[C@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)CC1 ZINC000460811812 1073128868 /nfs/dbraw/zinc/12/88/68/1073128868.db2.gz WLUUIFLFWCPDAO-AWEZNQCLSA-N 0 0 426.543 -0.850 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)CC1 ZINC000460812113 1073129127 /nfs/dbraw/zinc/12/91/27/1073129127.db2.gz WLUUIFLFWCPDAO-CQSZACIVSA-N 0 0 426.543 -0.850 20 30 IBEDRN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCN(c2nc(N)ns2)CC1 ZINC000460819826 1073361684 /nfs/dbraw/zinc/36/16/84/1073361684.db2.gz UBRGWERXMGWHPO-UHFFFAOYSA-N 0 0 438.477 -0.410 20 30 IBEDRN CCN1CCN(CCc2noc(CN(C)S(=O)(=O)c3ccc(C#N)cc3)n2)C(=O)C1=O ZINC000460838268 1073130460 /nfs/dbraw/zinc/13/04/60/1073130460.db2.gz QUTVFGRSFGQQEA-UHFFFAOYSA-N 0 0 446.489 -0.005 20 30 IBEDRN Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N(CCC#N)CCN1CCOCC1 ZINC000460909424 1073133100 /nfs/dbraw/zinc/13/31/00/1073133100.db2.gz XFYIBJGZCODAFM-HNNXBMFYSA-N 0 0 426.543 -0.222 20 30 IBEDRN Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N(CCC#N)CCN1CCOCC1 ZINC000460909426 1073132959 /nfs/dbraw/zinc/13/29/59/1073132959.db2.gz XFYIBJGZCODAFM-OAHLLOKOSA-N 0 0 426.543 -0.222 20 30 IBEDRN C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCCN(S(=O)(=O)N(C)C)CC1 ZINC000461297861 1073152794 /nfs/dbraw/zinc/15/27/94/1073152794.db2.gz DAZXKLLXFSQFEA-AWEZNQCLSA-N 0 0 443.551 -0.434 20 30 IBEDRN C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCCN(S(=O)(=O)N(C)C)CC1 ZINC000461297863 1073152840 /nfs/dbraw/zinc/15/28/40/1073152840.db2.gz DAZXKLLXFSQFEA-CQSZACIVSA-N 0 0 443.551 -0.434 20 30 IBEDRN CN(C)S(=O)(=O)N1CCCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000461301311 1073152895 /nfs/dbraw/zinc/15/28/95/1073152895.db2.gz KTORAEAKVVFNHQ-UHFFFAOYSA-N 0 0 429.524 -0.823 20 30 IBEDRN C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCCN(S(=O)(=O)N(C)C)CC1 ZINC000461302220 1073153128 /nfs/dbraw/zinc/15/31/28/1073153128.db2.gz OVJOZSNWXCPWOF-AWEZNQCLSA-N 0 0 443.551 -0.434 20 30 IBEDRN C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCCN(S(=O)(=O)N(C)C)CC1 ZINC000461302360 1073152904 /nfs/dbraw/zinc/15/29/04/1073152904.db2.gz OVJOZSNWXCPWOF-CQSZACIVSA-N 0 0 443.551 -0.434 20 30 IBEDRN CN(C)S(=O)(=O)N1CCCN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000461306800 1073151842 /nfs/dbraw/zinc/15/18/42/1073151842.db2.gz HIWRXKLQWQKCNF-UHFFFAOYSA-N 0 0 443.551 -0.481 20 30 IBEDRN CN(C)S(=O)(=O)N1CCCN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1 ZINC000461314084 1073154095 /nfs/dbraw/zinc/15/40/95/1073154095.db2.gz NZDQPQDTMDNHOV-UHFFFAOYSA-N 0 0 428.536 -0.186 20 30 IBEDRN CN(C)S(=O)(=O)N1CCCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 ZINC000461327090 1073153692 /nfs/dbraw/zinc/15/36/92/1073153692.db2.gz QHSDYUPDXRTIJS-UHFFFAOYSA-N 0 0 443.551 -0.167 20 30 IBEDRN COc1ccc(F)cc1C=c1sc(=C(C#N)C(=O)NCCN2CCOCC2)n(C)c1=O ZINC000461337855 1073155036 /nfs/dbraw/zinc/15/50/36/1073155036.db2.gz FFQCOWUZGFZRLT-UHFFFAOYSA-N 0 0 446.504 -0.454 20 30 IBEDRN COCc1ccc(C=c2sc(=C(C#N)C(=O)N3CCS(=O)(=O)CC3)n(C)c2=O)cc1 ZINC000461360376 1073156460 /nfs/dbraw/zinc/15/64/60/1073156460.db2.gz HGJNEYJZEZZORS-UHFFFAOYSA-N 0 0 447.538 -0.647 20 30 IBEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(OC)c(C#N)c3)c(=O)n2C)CC1 ZINC000461366021 1073156567 /nfs/dbraw/zinc/15/65/67/1073156567.db2.gz VOFJDPOBNFWYHD-UHFFFAOYSA-N 0 0 437.525 -0.006 20 30 IBEDRN COCc1ccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C)c2=O)cc1 ZINC000461368459 1073155452 /nfs/dbraw/zinc/15/54/52/1073155452.db2.gz ASLWCIQZTRXOGB-UHFFFAOYSA-N 0 0 442.541 -0.455 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)NC[C@@H]2CCCCN2S(=O)(=O)N(C)C)CC1 ZINC000461532375 1073159516 /nfs/dbraw/zinc/15/95/16/1073159516.db2.gz KGPAJDIXIDOLNW-INIZCTEOSA-N 0 0 430.575 -0.723 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)NC[C@H]2CCCCN2S(=O)(=O)N(C)C)CC1 ZINC000461532380 1073159499 /nfs/dbraw/zinc/15/94/99/1073159499.db2.gz KGPAJDIXIDOLNW-MRXNPFEDSA-N 0 0 430.575 -0.723 20 30 IBEDRN CN(C)S(=O)(=O)CCNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000461630933 1073162994 /nfs/dbraw/zinc/16/29/94/1073162994.db2.gz ZKDFFDAKMVNFDF-UHFFFAOYSA-N 0 0 428.536 -0.033 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)NCc2ccc(OC)c(S(N)(=O)=O)c2)CC1 ZINC000461662682 1073164967 /nfs/dbraw/zinc/16/49/67/1073164967.db2.gz PWHHHFIEJPZCHR-UHFFFAOYSA-N 0 0 425.511 -0.528 20 30 IBEDRN COc1cc(N2CCN(C(=O)C(=O)Nc3ncn(Cc4ccc(C#N)cc4)n3)CC2)ncn1 ZINC000461770140 1073168304 /nfs/dbraw/zinc/16/83/04/1073168304.db2.gz VQTMZTTUCNWBDK-UHFFFAOYSA-N 0 0 447.459 0.284 20 30 IBEDRN COc1cc(N2CCN(C(=O)C(=O)Nc3nn(-c4ccc(C#N)cn4)cc3C)CC2)ncn1 ZINC000461779137 1073169092 /nfs/dbraw/zinc/16/90/92/1073169092.db2.gz KCMCMKUZMGFNMX-UHFFFAOYSA-N 0 0 447.459 0.533 20 30 IBEDRN C=CCN(C(=O)CNS(=O)(=O)c1ccc(CNC(C)=O)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000461891212 1073173298 /nfs/dbraw/zinc/17/32/98/1073173298.db2.gz PNVXLUCTPAXJHF-CYBMUJFWSA-N 0 0 449.576 -0.136 20 30 IBEDRN C=CCN(C(=O)CNS(=O)(=O)c1ccc(CNC(C)=O)s1)[C@H]1CCS(=O)(=O)C1 ZINC000461891213 1073173295 /nfs/dbraw/zinc/17/32/95/1073173295.db2.gz PNVXLUCTPAXJHF-ZDUSSCGKSA-N 0 0 449.576 -0.136 20 30 IBEDRN Cc1nn(C)c(N2CCN(c3ccc(S(N)(=O)=O)cc3S(C)(=O)=O)CC2)c1C#N ZINC000461932062 1073174168 /nfs/dbraw/zinc/17/41/68/1073174168.db2.gz BAIOIGPWUZOLHI-UHFFFAOYSA-N 0 0 438.535 -0.022 20 30 IBEDRN N#Cc1ccc(N2CCN(C(=O)CNS(=O)(=O)c3c[nH]c(C(N)=O)c3)CC2)c(F)c1 ZINC000461989141 1073177683 /nfs/dbraw/zinc/17/76/83/1073177683.db2.gz ZRFAQRPZHHIMCX-UHFFFAOYSA-N 0 0 434.453 -0.249 20 30 IBEDRN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000462016093 1073179202 /nfs/dbraw/zinc/17/92/02/1073179202.db2.gz RWVUCNUXJPYXLE-UHFFFAOYSA-N 0 0 438.492 0.456 20 30 IBEDRN N#Cc1c(F)cccc1N1CCN(C(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)CC1 ZINC000462040303 1073181155 /nfs/dbraw/zinc/18/11/55/1073181155.db2.gz QOIVWUHEQZOVIS-UHFFFAOYSA-N 0 0 434.453 -0.249 20 30 IBEDRN N#Cc1cccnc1-n1cc(NC(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)cn1 ZINC000462080407 1073185767 /nfs/dbraw/zinc/18/57/67/1073185767.db2.gz LXQUZNUCAUCRMG-UHFFFAOYSA-N 0 0 446.493 -0.135 20 30 IBEDRN N#Cc1cccnc1-n1cc(NC(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)cn1 ZINC000462088247 1073185274 /nfs/dbraw/zinc/18/52/74/1073185274.db2.gz MCHBBCAJIBCUDL-UHFFFAOYSA-N 0 0 436.432 -0.036 20 30 IBEDRN COCCNC(=O)CN1CCN(C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)CC1 ZINC000462097064 1073187032 /nfs/dbraw/zinc/18/70/32/1073187032.db2.gz IBSQXMJRJIJUEK-UHFFFAOYSA-N 0 0 426.481 0.360 20 30 IBEDRN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000462103520 1073186172 /nfs/dbraw/zinc/18/61/72/1073186172.db2.gz PCFCAFXIAKSVNH-UHFFFAOYSA-N 0 0 438.492 0.456 20 30 IBEDRN N#Cc1cccnc1-n1cc(NC(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)cn1 ZINC000462105692 1073186776 /nfs/dbraw/zinc/18/67/76/1073186776.db2.gz UODMQXBMQSSDGM-UHFFFAOYSA-N 0 0 438.448 -0.326 20 30 IBEDRN N#Cc1cc(Cl)ccc1S(=O)(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000462446771 1072462212 /nfs/dbraw/zinc/46/22/12/1072462212.db2.gz LDCSIYXXDPAXIX-UHFFFAOYSA-N 0 0 426.882 -0.097 20 30 IBEDRN Cc1ccc(S(=O)(=O)NCCN2CCN(c3c(C#N)c(=O)n(C)c(=O)n3C)CC2)cc1 ZINC000462851829 1072476749 /nfs/dbraw/zinc/47/67/49/1072476749.db2.gz BPOXNEVXBZJCAE-UHFFFAOYSA-N 0 0 446.533 -0.635 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCOCC2)C1=O ZINC000463087789 1072485166 /nfs/dbraw/zinc/48/51/66/1072485166.db2.gz WZTKINPQCKDUQV-INIZCTEOSA-N 0 0 428.445 -0.451 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](Cc2ccccc2)C(=O)N2CCOCC2)C1=O ZINC000463087800 1072485137 /nfs/dbraw/zinc/48/51/37/1072485137.db2.gz WZTKINPQCKDUQV-MRXNPFEDSA-N 0 0 428.445 -0.451 20 30 IBEDRN CNS(=O)(=O)NC1CCN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)CC1 ZINC000463200026 1072496787 /nfs/dbraw/zinc/49/67/87/1072496787.db2.gz IKGFREXACDXECQ-UHFFFAOYSA-N 0 0 425.515 -0.979 20 30 IBEDRN CNS(=O)(=O)NC1CCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CC1 ZINC000463211641 1072495999 /nfs/dbraw/zinc/49/59/99/1072495999.db2.gz QKDOUFYGMBOAIM-INIZCTEOSA-N 0 0 440.595 -0.025 20 30 IBEDRN CNS(=O)(=O)NC1CCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CC1 ZINC000463211657 1072496843 /nfs/dbraw/zinc/49/68/43/1072496843.db2.gz QKDOUFYGMBOAIM-MRXNPFEDSA-N 0 0 440.595 -0.025 20 30 IBEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(S(=O)(=O)CCCN2CCOCC2)CC1 ZINC000463344668 1072503242 /nfs/dbraw/zinc/50/32/42/1072503242.db2.gz JQVCYDKTSJKNLA-UHFFFAOYSA-N 0 0 442.563 -0.083 20 30 IBEDRN N#CC1(CS(=O)(=O)N2CCN(S(=O)(=O)c3ccc(S(N)(=O)=O)cc3)CC2)CC1 ZINC000463347010 1072503534 /nfs/dbraw/zinc/50/35/34/1072503534.db2.gz XBCDIONDDIFIDE-UHFFFAOYSA-N 0 0 448.548 -0.726 20 30 IBEDRN N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)CCCN3CCOCC3)CC2)cc1 ZINC000463349506 1072503618 /nfs/dbraw/zinc/50/36/18/1072503618.db2.gz RDCWYSFXYALYCO-UHFFFAOYSA-N 0 0 442.563 -0.083 20 30 IBEDRN N#CC1(CS(=O)(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)CC1 ZINC000463410621 1072507151 /nfs/dbraw/zinc/50/71/51/1072507151.db2.gz BTRGYUJEXDUCQY-UHFFFAOYSA-N 0 0 440.503 -0.043 20 30 IBEDRN COc1cc(C#N)ccc1S(=O)(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000463675576 1072517802 /nfs/dbraw/zinc/51/78/02/1072517802.db2.gz AOTGDWNSZMYBCK-UHFFFAOYSA-N 0 0 430.508 -0.550 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)CC1 ZINC000463698595 1072518563 /nfs/dbraw/zinc/51/85/63/1072518563.db2.gz CNWYGYVEKBKWAK-UHFFFAOYSA-N 0 0 442.520 -0.997 20 30 IBEDRN COc1cc(C#N)ccc1S(=O)(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000463701849 1072519255 /nfs/dbraw/zinc/51/92/55/1072519255.db2.gz LDBNMHGCQZNRSV-UHFFFAOYSA-N 0 0 443.551 -0.635 20 30 IBEDRN N#CCCN(CCN1CCOCC1)C(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000463807301 1072523061 /nfs/dbraw/zinc/52/30/61/1072523061.db2.gz VCDPKGXLZMNSAH-UHFFFAOYSA-N 0 0 442.520 -0.369 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(Cc3nc([C@@H](C)OCC)no3)CC2)C1=O ZINC000464190857 1072538208 /nfs/dbraw/zinc/53/82/08/1072538208.db2.gz PBUVESHFTUORAA-CYBMUJFWSA-N 0 0 434.453 -0.212 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(Cc3nc([C@H](C)OCC)no3)CC2)C1=O ZINC000464190858 1072538128 /nfs/dbraw/zinc/53/81/28/1072538128.db2.gz PBUVESHFTUORAA-ZDUSSCGKSA-N 0 0 434.453 -0.212 20 30 IBEDRN COc1cc(C#N)ccc1S(=O)(=O)NC1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000464426914 1072543102 /nfs/dbraw/zinc/54/31/02/1072543102.db2.gz OAKAMZJXUHQSSR-UHFFFAOYSA-N 0 0 444.535 -0.113 20 30 IBEDRN CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCC(N3CCS(=O)(=O)CC3)CC2)CC1 ZINC000464490848 1072544212 /nfs/dbraw/zinc/54/42/12/1072544212.db2.gz PTFAWCFFEXDLBN-IBGZPJMESA-N 0 0 425.599 -0.126 20 30 IBEDRN CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCC(N3CCS(=O)(=O)CC3)CC2)CC1 ZINC000464490849 1072544073 /nfs/dbraw/zinc/54/40/73/1072544073.db2.gz PTFAWCFFEXDLBN-LJQANCHMSA-N 0 0 425.599 -0.126 20 30 IBEDRN C[C@@H](O)C[C@H]1COCCN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000464611557 1072551017 /nfs/dbraw/zinc/55/10/17/1072551017.db2.gz QDNHBXGKSHTIJR-AEFFLSMTSA-N 0 0 436.534 -0.137 20 30 IBEDRN C[C@H](O)C[C@@H]1COCCN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000464611558 1072551218 /nfs/dbraw/zinc/55/12/18/1072551218.db2.gz QDNHBXGKSHTIJR-FUHWJXTLSA-N 0 0 436.534 -0.137 20 30 IBEDRN C[C@@H](O)C[C@@H]1COCCN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000464611559 1072551165 /nfs/dbraw/zinc/55/11/65/1072551165.db2.gz QDNHBXGKSHTIJR-SJLPKXTDSA-N 0 0 436.534 -0.137 20 30 IBEDRN C[C@H](O)C[C@H]1COCCN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000464611560 1072551296 /nfs/dbraw/zinc/55/12/96/1072551296.db2.gz QDNHBXGKSHTIJR-WMZOPIPTSA-N 0 0 436.534 -0.137 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(c3ncc(C(=O)OCC)s3)CC2)C1=O ZINC000464676811 1072551988 /nfs/dbraw/zinc/55/19/88/1072551988.db2.gz IJOUYBLZFXHZIM-UHFFFAOYSA-N 0 0 435.462 -0.055 20 30 IBEDRN COCCN(C(=O)CN1CCN(c2nccnc2C#N)C[C@H]1C)[C@H]1CCS(=O)(=O)C1 ZINC000464855867 1072557487 /nfs/dbraw/zinc/55/74/87/1072557487.db2.gz HWMWAEHINLHMJG-CVEARBPZSA-N 0 0 436.538 -0.479 20 30 IBEDRN COCCN(C(=O)CN1CCN(c2nccnc2C#N)C[C@@H]1C)[C@H]1CCS(=O)(=O)C1 ZINC000464855868 1072557633 /nfs/dbraw/zinc/55/76/33/1072557633.db2.gz HWMWAEHINLHMJG-HOTGVXAUSA-N 0 0 436.538 -0.479 20 30 IBEDRN COCCN(C(=O)CN1CCN(c2nccnc2C#N)C[C@H]1C)[C@@H]1CCS(=O)(=O)C1 ZINC000464855869 1072557646 /nfs/dbraw/zinc/55/76/46/1072557646.db2.gz HWMWAEHINLHMJG-HZPDHXFCSA-N 0 0 436.538 -0.479 20 30 IBEDRN COCCN(C(=O)CN1CCN(c2nccnc2C#N)C[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 ZINC000464855870 1072557584 /nfs/dbraw/zinc/55/75/84/1072557584.db2.gz HWMWAEHINLHMJG-JKSUJKDBSA-N 0 0 436.538 -0.479 20 30 IBEDRN C[C@H]1CN(c2nccnc2C#N)CCN1CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000464857422 1072559779 /nfs/dbraw/zinc/55/97/79/1072559779.db2.gz SSNZNLLEEVEUNY-KRWDZBQOSA-N 0 0 442.568 -0.082 20 30 IBEDRN C[C@@H]1CN(c2nccnc2C#N)CCN1CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000464857423 1072559680 /nfs/dbraw/zinc/55/96/80/1072559680.db2.gz SSNZNLLEEVEUNY-QGZVFWFLSA-N 0 0 442.568 -0.082 20 30 IBEDRN C[C@H]1CN(c2nccnc2C#N)CCN1CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000464859930 1072559610 /nfs/dbraw/zinc/55/96/10/1072559610.db2.gz YDMIDCREXKQRSC-DLBZAZTESA-N 0 0 447.565 -0.810 20 30 IBEDRN C[C@@H]1CN(c2nccnc2C#N)CCN1CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000464859931 1072560117 /nfs/dbraw/zinc/56/01/17/1072560117.db2.gz YDMIDCREXKQRSC-IAGOWNOFSA-N 0 0 447.565 -0.810 20 30 IBEDRN C[C@H]1CN(c2nccnc2C#N)CCN1CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000464859932 1072559668 /nfs/dbraw/zinc/55/96/68/1072559668.db2.gz YDMIDCREXKQRSC-IRXDYDNUSA-N 0 0 447.565 -0.810 20 30 IBEDRN C[C@@H]1CN(c2nccnc2C#N)CCN1CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000464859933 1072560145 /nfs/dbraw/zinc/56/01/45/1072560145.db2.gz YDMIDCREXKQRSC-SJORKVTESA-N 0 0 447.565 -0.810 20 30 IBEDRN COCCn1c(N)c(C(=O)CN2CCN(c3nccnc3C#N)C[C@H]2C)c(=O)[nH]c1=O ZINC000464861673 1072560742 /nfs/dbraw/zinc/56/07/42/1072560742.db2.gz VZUSJKNEUSUMTI-GFCCVEGCSA-N 0 0 428.453 -0.767 20 30 IBEDRN COCCn1c(N)c(C(=O)CN2CCN(c3nccnc3C#N)C[C@@H]2C)c(=O)[nH]c1=O ZINC000464861674 1072560646 /nfs/dbraw/zinc/56/06/46/1072560646.db2.gz VZUSJKNEUSUMTI-LBPRGKRZSA-N 0 0 428.453 -0.767 20 30 IBEDRN CC(C)Cn1c(N)c(C(=O)CN2CCN(c3nccnc3C#N)C[C@@H]2C)c(=O)n(C)c1=O ZINC000464861828 1072560595 /nfs/dbraw/zinc/56/05/95/1072560595.db2.gz FHEUMHSVFKKGMP-AWEZNQCLSA-N 0 0 440.508 -0.160 20 30 IBEDRN CC(C)Cn1c(N)c(C(=O)CN2CCN(c3nccnc3C#N)C[C@H]2C)c(=O)n(C)c1=O ZINC000464861829 1072560778 /nfs/dbraw/zinc/56/07/78/1072560778.db2.gz FHEUMHSVFKKGMP-CQSZACIVSA-N 0 0 440.508 -0.160 20 30 IBEDRN C[C@H]1CN(c2nccnc2C#N)CCN1CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000464861853 1072560582 /nfs/dbraw/zinc/56/05/82/1072560582.db2.gz FUUYOKLKZMIPGX-HNNXBMFYSA-N 0 0 443.533 -0.135 20 30 IBEDRN C[C@@H]1CN(c2nccnc2C#N)CCN1CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000464861854 1072560248 /nfs/dbraw/zinc/56/02/48/1072560248.db2.gz FUUYOKLKZMIPGX-OAHLLOKOSA-N 0 0 443.533 -0.135 20 30 IBEDRN C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCNS(=O)(=O)Cc1ccon1 ZINC000464909893 1072562079 /nfs/dbraw/zinc/56/20/79/1072562079.db2.gz FILNTQYFNRYTTC-CYBMUJFWSA-N 0 0 434.482 -0.324 20 30 IBEDRN C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCNS(=O)(=O)Cc1ccon1 ZINC000464909894 1072562213 /nfs/dbraw/zinc/56/22/13/1072562213.db2.gz FILNTQYFNRYTTC-ZDUSSCGKSA-N 0 0 434.482 -0.324 20 30 IBEDRN C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000464942381 1072562787 /nfs/dbraw/zinc/56/27/87/1072562787.db2.gz IXAUBHJWDMDVGR-AWEZNQCLSA-N 0 0 439.567 -0.053 20 30 IBEDRN C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000464942382 1072562683 /nfs/dbraw/zinc/56/26/83/1072562683.db2.gz IXAUBHJWDMDVGR-CQSZACIVSA-N 0 0 439.567 -0.053 20 30 IBEDRN CC(=O)N1CCN(C(=O)CCNC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)CC1 ZINC000464945485 1072562161 /nfs/dbraw/zinc/56/21/61/1072562161.db2.gz SHVFRBOIBWCXQZ-HNNXBMFYSA-N 0 0 428.497 -0.351 20 30 IBEDRN CC(=O)N1CCN(C(=O)CCNC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)CC1 ZINC000464945486 1072562108 /nfs/dbraw/zinc/56/21/08/1072562108.db2.gz SHVFRBOIBWCXQZ-OAHLLOKOSA-N 0 0 428.497 -0.351 20 30 IBEDRN CCCn1c(N)c(N(CCOC)C(=O)CCC(=O)N2CCN(CC#N)CC2)c(=O)[nH]c1=O ZINC000465147432 1072571034 /nfs/dbraw/zinc/57/10/34/1072571034.db2.gz PCJUAZCEQIVJDT-UHFFFAOYSA-N 0 0 449.512 -0.632 20 30 IBEDRN C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000465192403 1072572960 /nfs/dbraw/zinc/57/29/60/1072572960.db2.gz HHYCUDXYELVSEN-ILXRZTDVSA-N 0 0 432.506 -0.579 20 30 IBEDRN C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000465192406 1072572984 /nfs/dbraw/zinc/57/29/84/1072572984.db2.gz HHYCUDXYELVSEN-KFWWJZLASA-N 0 0 432.506 -0.579 20 30 IBEDRN C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000465192409 1072573038 /nfs/dbraw/zinc/57/30/38/1072573038.db2.gz HHYCUDXYELVSEN-QLFBSQMISA-N 0 0 432.506 -0.579 20 30 IBEDRN C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000465192412 1072573045 /nfs/dbraw/zinc/57/30/45/1072573045.db2.gz HHYCUDXYELVSEN-RBSFLKMASA-N 0 0 432.506 -0.579 20 30 IBEDRN Cc1nc(S(=O)(=O)NCCC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)cn1C ZINC000465194074 1072573015 /nfs/dbraw/zinc/57/30/15/1072573015.db2.gz OYTBLMBJZWDFHR-CYBMUJFWSA-N 0 0 432.510 -0.204 20 30 IBEDRN Cc1nc(S(=O)(=O)NCCC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)cn1C ZINC000465194075 1072573082 /nfs/dbraw/zinc/57/30/82/1072573082.db2.gz OYTBLMBJZWDFHR-ZDUSSCGKSA-N 0 0 432.510 -0.204 20 30 IBEDRN C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000465198699 1072573573 /nfs/dbraw/zinc/57/35/73/1072573573.db2.gz XRYFKXYMRTYBIY-DLBZAZTESA-N 0 0 427.509 -0.434 20 30 IBEDRN C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000465198737 1072573493 /nfs/dbraw/zinc/57/34/93/1072573493.db2.gz XRYFKXYMRTYBIY-IAGOWNOFSA-N 0 0 427.509 -0.434 20 30 IBEDRN C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000465198740 1072573611 /nfs/dbraw/zinc/57/36/11/1072573611.db2.gz XRYFKXYMRTYBIY-IRXDYDNUSA-N 0 0 427.509 -0.434 20 30 IBEDRN C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000465198744 1072573462 /nfs/dbraw/zinc/57/34/62/1072573462.db2.gz XRYFKXYMRTYBIY-SJORKVTESA-N 0 0 427.509 -0.434 20 30 IBEDRN C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000465201483 1072573506 /nfs/dbraw/zinc/57/35/06/1072573506.db2.gz WXBVUXYGVHVXRR-CYBMUJFWSA-N 0 0 437.464 -0.777 20 30 IBEDRN C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000465201484 1072573705 /nfs/dbraw/zinc/57/37/05/1072573705.db2.gz WXBVUXYGVHVXRR-ZDUSSCGKSA-N 0 0 437.464 -0.777 20 30 IBEDRN CN(CC(=O)N1CCN(c2nccn(C)c2=O)CC1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000465221411 1072574211 /nfs/dbraw/zinc/57/42/11/1072574211.db2.gz DAXBQRRUNHBOKN-UHFFFAOYSA-N 0 0 430.490 -0.379 20 30 IBEDRN Cn1ccnc(N2CCN(C(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)CC2)c1=O ZINC000465221468 1072574108 /nfs/dbraw/zinc/57/41/08/1072574108.db2.gz DPSNPQKWJYGYSL-UHFFFAOYSA-N 0 0 430.490 -0.065 20 30 IBEDRN Cc1ccc(C(=O)N2CCN(c3nccn(C)c3=O)CC2)cc1S(=O)(=O)NCC#N ZINC000465237337 1072574614 /nfs/dbraw/zinc/57/46/14/1072574614.db2.gz RUFPVQYUEUFZOS-UHFFFAOYSA-N 0 0 430.490 -0.147 20 30 IBEDRN C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000465260277 1072575087 /nfs/dbraw/zinc/57/50/87/1072575087.db2.gz PYAMYFKRDSYRCF-HNNXBMFYSA-N 0 0 439.480 0.146 20 30 IBEDRN C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000465260280 1072575237 /nfs/dbraw/zinc/57/52/37/1072575237.db2.gz PYAMYFKRDSYRCF-OAHLLOKOSA-N 0 0 439.480 0.146 20 30 IBEDRN CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000465262867 1072575200 /nfs/dbraw/zinc/57/52/00/1072575200.db2.gz GDDGBNFSHYTYOM-AWEZNQCLSA-N 0 0 437.526 -0.781 20 30 IBEDRN CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C ZINC000465262873 1072575300 /nfs/dbraw/zinc/57/53/00/1072575300.db2.gz GDDGBNFSHYTYOM-CQSZACIVSA-N 0 0 437.526 -0.781 20 30 IBEDRN C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC000465269267 1072575752 /nfs/dbraw/zinc/57/57/52/1072575752.db2.gz NSDZLMPCOUGBLG-CYBMUJFWSA-N 0 0 428.474 -0.042 20 30 IBEDRN C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC000465269268 1072575690 /nfs/dbraw/zinc/57/56/90/1072575690.db2.gz NSDZLMPCOUGBLG-ZDUSSCGKSA-N 0 0 428.474 -0.042 20 30 IBEDRN COCCNS(=O)(=O)c1c[nH]c(C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)c1 ZINC000465269689 1072575713 /nfs/dbraw/zinc/57/57/13/1072575713.db2.gz ZTBIFZKVSUQYHV-CYBMUJFWSA-N 0 0 433.494 -0.048 20 30 IBEDRN COCCNS(=O)(=O)c1c[nH]c(C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)c1 ZINC000465269690 1072575675 /nfs/dbraw/zinc/57/56/75/1072575675.db2.gz ZTBIFZKVSUQYHV-ZDUSSCGKSA-N 0 0 433.494 -0.048 20 30 IBEDRN Cc1cc(C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)nc2c1c(=O)n(C)c(=O)n2C ZINC000465270865 1072575868 /nfs/dbraw/zinc/57/58/68/1072575868.db2.gz TUARRAVSMIXJFP-CYBMUJFWSA-N 0 0 434.460 -0.047 20 30 IBEDRN Cc1cc(C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)nc2c1c(=O)n(C)c(=O)n2C ZINC000465270866 1072575632 /nfs/dbraw/zinc/57/56/32/1072575632.db2.gz TUARRAVSMIXJFP-ZDUSSCGKSA-N 0 0 434.460 -0.047 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cccn(CC(F)(F)F)c2=O)CC1 ZINC000465313458 1072576850 /nfs/dbraw/zinc/57/68/50/1072576850.db2.gz CABMBIMICBMSEA-UHFFFAOYSA-N 0 0 429.399 -0.205 20 30 IBEDRN Cc1ccc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)cc1S(N)(=O)=O ZINC000465401902 1072622233 /nfs/dbraw/zinc/62/22/33/1072622233.db2.gz HRORXTYWOUKSDZ-ZDUSSCGKSA-N 0 0 443.489 -0.020 20 30 IBEDRN C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1cc(F)cc(S(N)(=O)=O)c1 ZINC000465402182 1072622638 /nfs/dbraw/zinc/62/26/38/1072622638.db2.gz ILHYQTCAPYHPSE-LLVKDONJSA-N 0 0 447.452 -0.189 20 30 IBEDRN C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1cc(F)cc(S(N)(=O)=O)c1 ZINC000465402189 1072622581 /nfs/dbraw/zinc/62/25/81/1072622581.db2.gz ILHYQTCAPYHPSE-NSHDSACASA-N 0 0 447.452 -0.189 20 30 IBEDRN CN1CCN(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3C#N)CC2)CC1 ZINC000465405589 1072623309 /nfs/dbraw/zinc/62/33/09/1072623309.db2.gz PRJDWCABERPYAY-UHFFFAOYSA-N 0 0 431.515 -0.504 20 30 IBEDRN CS(=O)(=O)N[C@H]1CCC[C@@H]1CNC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 ZINC000465413676 1072635648 /nfs/dbraw/zinc/63/56/48/1072635648.db2.gz DXSNHZSWALCBDM-CVEARBPZSA-N 0 0 445.505 -0.029 20 30 IBEDRN CS(=O)(=O)N[C@H]1CCC[C@H]1CNC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 ZINC000465413677 1073351258 /nfs/dbraw/zinc/35/12/58/1073351258.db2.gz DXSNHZSWALCBDM-HOTGVXAUSA-N 0 0 445.505 -0.029 20 30 IBEDRN CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 ZINC000465413678 1073350729 /nfs/dbraw/zinc/35/07/29/1073350729.db2.gz DXSNHZSWALCBDM-HZPDHXFCSA-N 0 0 445.505 -0.029 20 30 IBEDRN CS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 ZINC000465413679 1073351276 /nfs/dbraw/zinc/35/12/76/1073351276.db2.gz DXSNHZSWALCBDM-JKSUJKDBSA-N 0 0 445.505 -0.029 20 30 IBEDRN CNS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)c1 ZINC000465414296 1072636638 /nfs/dbraw/zinc/63/66/38/1072636638.db2.gz GOOJXFPMMZMRKD-CYBMUJFWSA-N 0 0 443.489 -0.068 20 30 IBEDRN CNS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)c1 ZINC000465414297 1072636778 /nfs/dbraw/zinc/63/67/78/1072636778.db2.gz GOOJXFPMMZMRKD-ZDUSSCGKSA-N 0 0 443.489 -0.068 20 30 IBEDRN C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 ZINC000465414827 1072636758 /nfs/dbraw/zinc/63/67/58/1072636758.db2.gz GXDLGSBNZPITTA-AWEZNQCLSA-N 0 0 449.475 -0.645 20 30 IBEDRN C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 ZINC000465414889 1072637309 /nfs/dbraw/zinc/63/73/09/1072637309.db2.gz GXDLGSBNZPITTA-CQSZACIVSA-N 0 0 449.475 -0.645 20 30 IBEDRN CNC(=O)[C@H]1CN(C(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)c2ccccc2O1 ZINC000465419811 1072638553 /nfs/dbraw/zinc/63/85/53/1072638553.db2.gz BNKFQDVXROREDU-KBXCAEBGSA-N 0 0 449.471 -0.074 20 30 IBEDRN CNC(=O)[C@@H]1CN(C(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)c2ccccc2O1 ZINC000465419812 1072638573 /nfs/dbraw/zinc/63/85/73/1072638573.db2.gz BNKFQDVXROREDU-KDOFPFPSSA-N 0 0 449.471 -0.074 20 30 IBEDRN CNC(=O)[C@@H]1CN(C(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)c2ccccc2O1 ZINC000465419813 1072638469 /nfs/dbraw/zinc/63/84/69/1072638469.db2.gz BNKFQDVXROREDU-KSSFIOAISA-N 0 0 449.471 -0.074 20 30 IBEDRN CNC(=O)[C@H]1CN(C(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)c2ccccc2O1 ZINC000465419814 1072638564 /nfs/dbraw/zinc/63/85/64/1072638564.db2.gz BNKFQDVXROREDU-RDTXWAMCSA-N 0 0 449.471 -0.074 20 30 IBEDRN C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccc(S(C)(=O)=O)nc1 ZINC000465419864 1072639125 /nfs/dbraw/zinc/63/91/25/1072639125.db2.gz BXULBCKGINWRFM-GFCCVEGCSA-N 0 0 429.462 -0.177 20 30 IBEDRN C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccc(S(C)(=O)=O)nc1 ZINC000465419865 1072639566 /nfs/dbraw/zinc/63/95/66/1072639566.db2.gz BXULBCKGINWRFM-LBPRGKRZSA-N 0 0 429.462 -0.177 20 30 IBEDRN C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1cnn(CC(=O)N(C)C)c1 ZINC000465420029 1072640916 /nfs/dbraw/zinc/64/09/16/1072640916.db2.gz HCJIPLMLVFWDSQ-CYBMUJFWSA-N 0 0 425.453 -0.691 20 30 IBEDRN C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1cnn(CC(=O)N(C)C)c1 ZINC000465420030 1072640891 /nfs/dbraw/zinc/64/08/91/1072640891.db2.gz HCJIPLMLVFWDSQ-ZDUSSCGKSA-N 0 0 425.453 -0.691 20 30 IBEDRN C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000465421219 1072641602 /nfs/dbraw/zinc/64/16/02/1072641602.db2.gz KDOQCFVXRHCNAR-GFCCVEGCSA-N 0 0 429.462 -0.329 20 30 IBEDRN C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000465421220 1072641749 /nfs/dbraw/zinc/64/17/49/1072641749.db2.gz KDOQCFVXRHCNAR-LBPRGKRZSA-N 0 0 429.462 -0.329 20 30 IBEDRN C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000465465696 1072654245 /nfs/dbraw/zinc/65/42/45/1072654245.db2.gz LLJZOBPVEZJDNN-GFCCVEGCSA-N 0 0 429.462 -0.329 20 30 IBEDRN C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000465465697 1072654306 /nfs/dbraw/zinc/65/43/06/1072654306.db2.gz LLJZOBPVEZJDNN-LBPRGKRZSA-N 0 0 429.462 -0.329 20 30 IBEDRN C[C@@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000465484857 1072678426 /nfs/dbraw/zinc/67/84/26/1072678426.db2.gz WFUTWPSEZHCIRS-LLVKDONJSA-N 0 0 442.461 -0.405 20 30 IBEDRN C[C@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000465484858 1072678550 /nfs/dbraw/zinc/67/85/50/1072678550.db2.gz WFUTWPSEZHCIRS-NSHDSACASA-N 0 0 442.461 -0.405 20 30 IBEDRN C[C@@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000465493277 1072693054 /nfs/dbraw/zinc/69/30/54/1072693054.db2.gz NYKXHAWXEMMTIC-LLVKDONJSA-N 0 0 427.446 -0.223 20 30 IBEDRN C[C@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000465493278 1072692973 /nfs/dbraw/zinc/69/29/73/1072692973.db2.gz NYKXHAWXEMMTIC-NSHDSACASA-N 0 0 427.446 -0.223 20 30 IBEDRN CN1CCN(S(=O)(=O)N2CCN(C(=O)NCCOc3ccc(C#N)cc3)CC2)CC1 ZINC000466098147 1073196467 /nfs/dbraw/zinc/19/64/67/1073196467.db2.gz AVJIFASOYFJKBX-UHFFFAOYSA-N 0 0 436.538 -0.244 20 30 IBEDRN C=CCNC(=O)c1cccc(S(=O)(=O)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)c1 ZINC000466715561 1073345630 /nfs/dbraw/zinc/34/56/30/1073345630.db2.gz BQIFYZISBUBXEV-UHFFFAOYSA-N 0 0 448.505 -0.747 20 30 IBEDRN CN(C)C(=O)Cn1nc2n(c1=O)CCN(S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)C2 ZINC000466725470 1073348492 /nfs/dbraw/zinc/34/84/92/1073348492.db2.gz VDBRYKKDYLDHGL-UHFFFAOYSA-N 0 0 435.422 -0.883 20 30 IBEDRN CN(C)C(=O)Cn1nc2n(c1=O)CCN(S(=O)(=O)c1c(F)cc(C#N)cc1F)C2 ZINC000466727370 1073349062 /nfs/dbraw/zinc/34/90/62/1073349062.db2.gz IBYRHYRRSGCQOS-UHFFFAOYSA-N 0 0 426.405 -0.513 20 30 IBEDRN CNC(=O)N[C@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 ZINC000466937557 1071426221 /nfs/dbraw/zinc/42/62/21/1071426221.db2.gz FPSFRALVUXBTIL-INIZCTEOSA-N 0 0 434.522 -0.606 20 30 IBEDRN CNC(=O)N[C@@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 ZINC000466937558 1071426318 /nfs/dbraw/zinc/42/63/18/1071426318.db2.gz FPSFRALVUXBTIL-MRXNPFEDSA-N 0 0 434.522 -0.606 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccccc2N(C)S(C)(=O)=O)CC1 ZINC000466967482 1074512079 /nfs/dbraw/zinc/51/20/79/1074512079.db2.gz NWUZRGLIXBKCEO-UHFFFAOYSA-N 0 0 437.522 -0.533 20 30 IBEDRN C=CCNS(=O)(=O)c1cccc(C(=O)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)c1 ZINC000467056130 1074516094 /nfs/dbraw/zinc/51/60/94/1074516094.db2.gz FXZHZTMHWNUKPQ-UHFFFAOYSA-N 0 0 448.505 -0.747 20 30 IBEDRN CN1CCN(S(=O)(=O)N2CCN(C(=O)c3ccn(-c4cccc(C#N)c4)n3)CC2)CC1 ZINC000467069696 1074517984 /nfs/dbraw/zinc/51/79/84/1074517984.db2.gz ROGDWJYVSTYRRF-UHFFFAOYSA-N 0 0 443.533 -0.006 20 30 IBEDRN CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)C(=O)Nc1cc(C#N)ccc1Cl)C2 ZINC000467129295 1071167672 /nfs/dbraw/zinc/16/76/72/1071167672.db2.gz NQPHEQJENRXGNT-UHFFFAOYSA-N 0 0 431.840 -0.361 20 30 IBEDRN CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 ZINC000467131180 1074521660 /nfs/dbraw/zinc/52/16/60/1074521660.db2.gz KJUFXFDHOQKTCC-UHFFFAOYSA-N 0 0 441.448 -0.616 20 30 IBEDRN N#Cc1cc(F)c(S(=O)(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)c(F)c1 ZINC000467131665 1071178939 /nfs/dbraw/zinc/17/89/39/1071178939.db2.gz NAXLZIFHXBQJKE-UHFFFAOYSA-N 0 0 428.417 -0.472 20 30 IBEDRN N#Cc1cc(F)c(S(=O)(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)c(F)c1 ZINC000467133750 1074521958 /nfs/dbraw/zinc/52/19/58/1074521958.db2.gz MVJMDSOZIKBUIN-UHFFFAOYSA-N 0 0 426.401 -0.182 20 30 IBEDRN CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)C(=O)Nc1ccc(C#N)cc1Cl)C2 ZINC000467138800 1074522750 /nfs/dbraw/zinc/52/27/50/1074522750.db2.gz LBDFFHARLSMFTR-UHFFFAOYSA-N 0 0 431.840 -0.361 20 30 IBEDRN CN1CCN(S(=O)(=O)N2CCN(S(=O)(=O)c3c(F)cc(C#N)cc3F)CC2)CC1 ZINC000467140943 1074523059 /nfs/dbraw/zinc/52/30/59/1074523059.db2.gz TXSRXCHMCLAJEZ-UHFFFAOYSA-N 0 0 449.505 -0.365 20 30 IBEDRN N#Cc1cc(F)c(S(=O)(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)c(F)c1 ZINC000467141540 1074523066 /nfs/dbraw/zinc/52/30/66/1074523066.db2.gz JGLLQVKALGRZBR-UHFFFAOYSA-N 0 0 436.462 -0.280 20 30 IBEDRN CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)C(=O)Nc1ccc(Cl)c(C#N)c1)C2 ZINC000467142463 1074523504 /nfs/dbraw/zinc/52/35/04/1074523504.db2.gz RGPZFJNEWCZELX-UHFFFAOYSA-N 0 0 431.840 -0.361 20 30 IBEDRN C=CCOc1cccc(NC(=O)C(=O)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)c1 ZINC000467143661 1074523393 /nfs/dbraw/zinc/52/33/93/1074523393.db2.gz GAMLHQMCYHTQNX-UHFFFAOYSA-N 0 0 428.449 -0.321 20 30 IBEDRN CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)C(=O)Nc1ccc(C#N)c(Cl)c1)C2 ZINC000467152230 1074524745 /nfs/dbraw/zinc/52/47/45/1074524745.db2.gz NQQVHPFOANAZDO-UHFFFAOYSA-N 0 0 431.840 -0.361 20 30 IBEDRN Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN(c4nccn(C)c4=O)CC3)CC2)o1 ZINC000467163598 1074525340 /nfs/dbraw/zinc/52/53/40/1074525340.db2.gz NISCRZOLFFXNLK-UHFFFAOYSA-N 0 0 426.481 -0.581 20 30 IBEDRN CCOC(=O)c1cnn(C)c1NC(=O)C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C ZINC000467248342 1074527834 /nfs/dbraw/zinc/52/78/34/1074527834.db2.gz WHIQGCRMIGKIPW-GFCCVEGCSA-N 0 0 426.437 -0.066 20 30 IBEDRN CCOC(=O)c1cnn(C)c1NC(=O)C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000467248343 1074527905 /nfs/dbraw/zinc/52/79/05/1074527905.db2.gz WHIQGCRMIGKIPW-LBPRGKRZSA-N 0 0 426.437 -0.066 20 30 IBEDRN CN(C)C(=O)Cn1nc2n(c1=O)CCN(CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C2 ZINC000467293578 1074530555 /nfs/dbraw/zinc/53/05/55/1074530555.db2.gz MIUUBQRJEUWNJJ-UHFFFAOYSA-N 0 0 449.475 -0.355 20 30 IBEDRN C=CCNC(=O)CN1CCN(S(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000467409270 1074534674 /nfs/dbraw/zinc/53/46/74/1074534674.db2.gz VQLJAVMSTZRBFG-UHFFFAOYSA-N 0 0 434.518 -0.078 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(O[C@H](C)C(=O)OC)cc2)c(=O)n1C ZINC000467554580 1074539014 /nfs/dbraw/zinc/53/90/14/1074539014.db2.gz PGBGFZVOFSCQKC-CYBMUJFWSA-N 0 0 445.497 -0.347 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(O[C@@H](C)C(=O)OC)cc2)c(=O)n1C ZINC000467554581 1074538743 /nfs/dbraw/zinc/53/87/43/1074538743.db2.gz PGBGFZVOFSCQKC-ZDUSSCGKSA-N 0 0 445.497 -0.347 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(C3CC3)nn2-c2ncccn2)CC1 ZINC000467592813 1074539855 /nfs/dbraw/zinc/53/98/55/1074539855.db2.gz GFYKYFFRWOSWDQ-UHFFFAOYSA-N 0 0 438.492 -0.075 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc3c(cc2OC)CCC(=O)N3)CC1 ZINC000467594500 1074539794 /nfs/dbraw/zinc/53/97/94/1074539794.db2.gz NEAPXMYHCUJHBK-UHFFFAOYSA-N 0 0 429.477 -0.035 20 30 IBEDRN Cc1ccc(C(=O)N(CCN(C)C)[C@H]2CCS(=O)(=O)C2)cc1S(=O)(=O)NCC#N ZINC000467645706 1073082065 /nfs/dbraw/zinc/08/20/65/1073082065.db2.gz GLLJIIKYEWBWEF-INIZCTEOSA-N 0 0 442.563 -0.012 20 30 IBEDRN Cc1ccc(C(=O)N(CCN(C)C)[C@@H]2CCS(=O)(=O)C2)cc1S(=O)(=O)NCC#N ZINC000467645713 1074545037 /nfs/dbraw/zinc/54/50/37/1074545037.db2.gz GLLJIIKYEWBWEF-MRXNPFEDSA-N 0 0 442.563 -0.012 20 30 IBEDRN C=CC[C@@H](CO)NC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000467652614 1074545364 /nfs/dbraw/zinc/54/53/64/1074545364.db2.gz DPKSAPHWNMEYNJ-GXTWGEPZSA-N 0 0 427.479 -0.577 20 30 IBEDRN C=CC[C@@H](CO)NC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000467652615 1074545376 /nfs/dbraw/zinc/54/53/76/1074545376.db2.gz DPKSAPHWNMEYNJ-JSGCOSHPSA-N 0 0 427.479 -0.577 20 30 IBEDRN C=CC[C@H](CO)NC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000467652616 1074545504 /nfs/dbraw/zinc/54/55/04/1074545504.db2.gz DPKSAPHWNMEYNJ-OCCSQVGLSA-N 0 0 427.479 -0.577 20 30 IBEDRN C=CC[C@H](CO)NC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000467652617 1074545460 /nfs/dbraw/zinc/54/54/60/1074545460.db2.gz DPKSAPHWNMEYNJ-TZMCWYRMSA-N 0 0 427.479 -0.577 20 30 IBEDRN C=CCN1CC[C@H](N(C)C(=O)CNS(=O)(=O)c2ccc(CNC(C)=O)s2)C1=O ZINC000467662330 1074545990 /nfs/dbraw/zinc/54/59/90/1074545990.db2.gz QWSUQDYENMRRKH-AWEZNQCLSA-N 0 0 428.536 -0.092 20 30 IBEDRN C=CCN1CC[C@@H](N(C)C(=O)CNS(=O)(=O)c2ccc(CNC(C)=O)s2)C1=O ZINC000467662331 1074546015 /nfs/dbraw/zinc/54/60/15/1074546015.db2.gz QWSUQDYENMRRKH-CQSZACIVSA-N 0 0 428.536 -0.092 20 30 IBEDRN N#Cc1ccc(CN2CCN(C(=O)c3ccc(S(=O)(=O)NCC(N)=O)o3)CC2)cc1 ZINC000468028828 1074558004 /nfs/dbraw/zinc/55/80/04/1074558004.db2.gz JDLIVVYNTCKBEX-UHFFFAOYSA-N 0 0 431.474 -0.127 20 30 IBEDRN N#Cc1ccc(CN2CCN(C(=O)CNS(=O)(=O)c3c[nH]c(C(N)=O)c3)CC2)cc1 ZINC000468029388 1074557551 /nfs/dbraw/zinc/55/75/51/1074557551.db2.gz KOLWADMZEFJGNR-UHFFFAOYSA-N 0 0 430.490 -0.392 20 30 IBEDRN CS(=O)(=O)c1nccn1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000468079851 1074560281 /nfs/dbraw/zinc/56/02/81/1074560281.db2.gz UGBRUEYWTQDELF-UHFFFAOYSA-N 0 0 437.503 -0.309 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)[C@H](CCC(N)=O)N2C(=O)c3ccccc3C2=O)CC1 ZINC000468268395 1074565358 /nfs/dbraw/zinc/56/53/58/1074565358.db2.gz AJJIVJYMHVHTBK-KRWDZBQOSA-N 0 0 441.488 -0.637 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)[C@@H](CCC(N)=O)N2C(=O)c3ccccc3C2=O)CC1 ZINC000468268396 1074565334 /nfs/dbraw/zinc/56/53/34/1074565334.db2.gz AJJIVJYMHVHTBK-QGZVFWFLSA-N 0 0 441.488 -0.637 20 30 IBEDRN N#C[C@@H](c1ccccc1)N1CCN(C(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)CC1 ZINC000468291300 1074566340 /nfs/dbraw/zinc/56/63/40/1074566340.db2.gz LLLSNKZEFDCBNX-KRWDZBQOSA-N 0 0 430.490 -0.199 20 30 IBEDRN N#C[C@H](c1ccccc1)N1CCN(C(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)CC1 ZINC000468291301 1074566257 /nfs/dbraw/zinc/56/62/57/1074566257.db2.gz LLLSNKZEFDCBNX-QGZVFWFLSA-N 0 0 430.490 -0.199 20 30 IBEDRN Cn1cc(C#N)c(=O)n(CC(=O)c2ccc(Cn3c(=O)c(C#N)cn(C)c3=O)cc2)c1=O ZINC000468490031 1074576881 /nfs/dbraw/zinc/57/68/81/1074576881.db2.gz ZDWZOYGYZYRXHV-UHFFFAOYSA-N 0 0 432.396 -0.918 20 30 IBEDRN COC(=O)[C@@H]1CNC(=O)CN1C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000468649796 1074582806 /nfs/dbraw/zinc/58/28/06/1074582806.db2.gz RSNHXHUBYKUFMP-INIZCTEOSA-N 0 0 434.474 -0.541 20 30 IBEDRN COC(=O)[C@H]1CNC(=O)CN1C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000468649797 1074582813 /nfs/dbraw/zinc/58/28/13/1074582813.db2.gz RSNHXHUBYKUFMP-MRXNPFEDSA-N 0 0 434.474 -0.541 20 30 IBEDRN N#Cc1ccc(OCCNC(=O)C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)cc1 ZINC000468825488 1074590763 /nfs/dbraw/zinc/59/07/63/1074590763.db2.gz CRBDKASZUGGSLD-UHFFFAOYSA-N 0 0 426.433 -0.253 20 30 IBEDRN C=CCN1C(=O)c2ccc(C(=O)N3CCN(S(=O)(=O)c4nc[nH]n4)CC3)cc2C1=O ZINC000468938317 1074594681 /nfs/dbraw/zinc/59/46/81/1074594681.db2.gz LUXLFIGFKRBKDK-UHFFFAOYSA-N 0 0 430.446 -0.267 20 30 IBEDRN C=CCOc1ccccc1CNC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000469167439 1074601749 /nfs/dbraw/zinc/60/17/49/1074601749.db2.gz XSRARLOFLZJHQF-UHFFFAOYSA-N 0 0 427.461 0.562 20 30 IBEDRN C=CCNC(=O)CN1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)OC)CC1 ZINC000469187480 1074603338 /nfs/dbraw/zinc/60/33/38/1074603338.db2.gz ZXYUBKDVBQAWRW-UHFFFAOYSA-N 0 0 426.451 -0.010 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccn(CCc3ccncc3)n2)CC1 ZINC000469321507 1073303870 /nfs/dbraw/zinc/30/38/70/1073303870.db2.gz MONBOPKYOSRZNW-UHFFFAOYSA-N 0 0 425.493 -0.094 20 30 IBEDRN CS(=O)(=O)N1CCN(CC(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)CC1 ZINC000469480220 1074615981 /nfs/dbraw/zinc/61/59/81/1074615981.db2.gz RHMUVTLFLOGLPD-INIZCTEOSA-N 0 0 437.547 -0.025 20 30 IBEDRN CS(=O)(=O)N1CCN(CC(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)CC1 ZINC000469480221 1074616034 /nfs/dbraw/zinc/61/60/34/1074616034.db2.gz RHMUVTLFLOGLPD-MRXNPFEDSA-N 0 0 437.547 -0.025 20 30 IBEDRN CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)c1ccc(-n3ncc(C#N)c3N)cc1)C2 ZINC000469491946 1074617089 /nfs/dbraw/zinc/61/70/89/1074617089.db2.gz MNABHOIGLZWRFO-UHFFFAOYSA-N 0 0 435.448 -0.571 20 30 IBEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCO[C@@]3(CCOC3)C2)CC1 ZINC000469514501 1074619611 /nfs/dbraw/zinc/61/96/11/1074619611.db2.gz XVVMZAUSUFIXCQ-FQEVSTJZSA-N 0 0 434.518 -0.118 20 30 IBEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCO[C@]3(CCOC3)C2)CC1 ZINC000469514502 1074619499 /nfs/dbraw/zinc/61/94/99/1074619499.db2.gz XVVMZAUSUFIXCQ-HXUWFJFHSA-N 0 0 434.518 -0.118 20 30 IBEDRN N#C[C@H]1CN(C(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)CCN1Cc1ccccc1 ZINC000469522850 1074620045 /nfs/dbraw/zinc/62/00/45/1074620045.db2.gz ZCZPIRDYTRCCPP-HNNXBMFYSA-N 0 0 431.474 -0.107 20 30 IBEDRN N#C[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)CCN1Cc1ccccc1 ZINC000469522851 1074619999 /nfs/dbraw/zinc/61/99/99/1074619999.db2.gz ZCZPIRDYTRCCPP-OAHLLOKOSA-N 0 0 431.474 -0.107 20 30 IBEDRN N#C[C@H]1CN(C(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)CCN1Cc1ccccc1 ZINC000469526635 1074620507 /nfs/dbraw/zinc/62/05/07/1074620507.db2.gz DQNJZYPHUOATND-HNNXBMFYSA-N 0 0 430.490 -0.372 20 30 IBEDRN N#C[C@@H]1CN(C(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)CCN1Cc1ccccc1 ZINC000469526636 1074620594 /nfs/dbraw/zinc/62/05/94/1074620594.db2.gz DQNJZYPHUOATND-OAHLLOKOSA-N 0 0 430.490 -0.372 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(CS(C)(=O)=O)c(F)c2)CC1 ZINC000469629617 1074624769 /nfs/dbraw/zinc/62/47/69/1074624769.db2.gz HEMZQUFLNWCFLS-UHFFFAOYSA-N 0 0 440.497 -0.245 20 30 IBEDRN CNC(=O)N1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 ZINC000469751230 1074628428 /nfs/dbraw/zinc/62/84/28/1074628428.db2.gz HMJVMKQZCYUAPO-UHFFFAOYSA-N 0 0 434.522 -0.652 20 30 IBEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)CC1 ZINC000469856717 1074629547 /nfs/dbraw/zinc/62/95/47/1074629547.db2.gz PEQRKFWMROHKIL-ABSDTBQOSA-N 0 0 445.545 -0.023 20 30 IBEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)CC1 ZINC000469856718 1074629621 /nfs/dbraw/zinc/62/96/21/1074629621.db2.gz PEQRKFWMROHKIL-QKLQHJQFSA-N 0 0 445.545 -0.023 20 30 IBEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)CC1 ZINC000469856719 1074629716 /nfs/dbraw/zinc/62/97/16/1074629716.db2.gz PEQRKFWMROHKIL-SQGPQFPESA-N 0 0 445.545 -0.023 20 30 IBEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)CC1 ZINC000469856720 1074629569 /nfs/dbraw/zinc/62/95/69/1074629569.db2.gz PEQRKFWMROHKIL-ZWOKBUDYSA-N 0 0 445.545 -0.023 20 30 IBEDRN CS(=O)(=O)N1CCN(CC(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)CC1 ZINC000469870578 1074630182 /nfs/dbraw/zinc/63/01/82/1074630182.db2.gz OZZJOPVVIUGDCG-UHFFFAOYSA-N 0 0 445.549 -0.048 20 30 IBEDRN C=CCN1C(=O)c2ccc(C(=O)N3CCn4c(nn(CC(=O)N(C)C)c4=O)C3)cc2C1=O ZINC000469889691 1074632067 /nfs/dbraw/zinc/63/20/67/1074632067.db2.gz ATFFHJHFZONNAA-UHFFFAOYSA-N 0 0 438.444 -0.429 20 30 IBEDRN C=CCNS(=O)(=O)c1ccc(C(=O)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)cc1 ZINC000469891375 1074632031 /nfs/dbraw/zinc/63/20/31/1074632031.db2.gz GIPUXPDZHXWONQ-UHFFFAOYSA-N 0 0 448.505 -0.747 20 30 IBEDRN CCN1CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1=O ZINC000470010232 1074638456 /nfs/dbraw/zinc/63/84/56/1074638456.db2.gz VYQDGRCGTOPFEH-UHFFFAOYSA-N 0 0 433.534 -0.055 20 30 IBEDRN COc1ccc(S(N)(=O)=O)cc1NC(=O)CN(CCC#N)CCN1CCOCC1 ZINC000470225060 1074646940 /nfs/dbraw/zinc/64/69/40/1074646940.db2.gz VONCZVMNLMHTSZ-UHFFFAOYSA-N 0 0 425.511 -0.171 20 30 IBEDRN COc1cc([C@H](C#N)NC(=O)CN2CCN(S(C)(=O)=O)CC2)cc(OC)c1OC ZINC000470395439 1074653160 /nfs/dbraw/zinc/65/31/60/1074653160.db2.gz YETDGSGXTKSJSA-AWEZNQCLSA-N 0 0 426.495 -0.030 20 30 IBEDRN COc1cc([C@@H](C#N)NC(=O)CN2CCN(S(C)(=O)=O)CC2)cc(OC)c1OC ZINC000470395440 1074653276 /nfs/dbraw/zinc/65/32/76/1074653276.db2.gz YETDGSGXTKSJSA-CQSZACIVSA-N 0 0 426.495 -0.030 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(F)cc2CS(C)(=O)=O)CC1 ZINC000471008755 1074674916 /nfs/dbraw/zinc/67/49/16/1074674916.db2.gz UGBUDQYUAJUAMF-UHFFFAOYSA-N 0 0 440.497 -0.245 20 30 IBEDRN N#CCCCN1C(=O)CCc2cc(NC(=O)C(=O)N3CCN4C(=O)NC(=O)[C@@H]4C3)ccc21 ZINC000471025271 1074676175 /nfs/dbraw/zinc/67/61/75/1074676175.db2.gz KLIGCHKNIYWFJT-INIZCTEOSA-N 0 0 438.444 -0.029 20 30 IBEDRN N#CCCCN1C(=O)CCc2cc(NC(=O)C(=O)N3CCN4C(=O)NC(=O)[C@H]4C3)ccc21 ZINC000471025272 1074676091 /nfs/dbraw/zinc/67/60/91/1074676091.db2.gz KLIGCHKNIYWFJT-MRXNPFEDSA-N 0 0 438.444 -0.029 20 30 IBEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCC(NC(N)=O)CC2)CC1 ZINC000471044069 1074677653 /nfs/dbraw/zinc/67/76/53/1074677653.db2.gz KCMRIXZODWXLCD-UHFFFAOYSA-N 0 0 434.522 -0.476 20 30 IBEDRN COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CCN(CCS(N)(=O)=O)CC1 ZINC000471045279 1074678134 /nfs/dbraw/zinc/67/81/34/1074678134.db2.gz YEUVCZBYWNTLAG-UHFFFAOYSA-N 0 0 440.570 -0.142 20 30 IBEDRN N#CCCCN1C(=O)CCc2cc(NC(=O)C(=O)NCCN3CCNC(=O)C3)ccc21 ZINC000471051298 1074678730 /nfs/dbraw/zinc/67/87/30/1074678730.db2.gz CXRNRVWPWLRPGF-UHFFFAOYSA-N 0 0 426.477 -0.244 20 30 IBEDRN N#CCCCN1C(=O)CCc2cc(NC(=O)C(=O)N3CCN(C(=O)CO)CC3)ccc21 ZINC000471058198 1074679198 /nfs/dbraw/zinc/67/91/98/1074679198.db2.gz XDQXCGYPBJKQPB-UHFFFAOYSA-N 0 0 427.461 -0.129 20 30 IBEDRN COCCN1CCCN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)CC1=O ZINC000471091803 1074682287 /nfs/dbraw/zinc/68/22/87/1074682287.db2.gz WZNVXVLOSCMELR-UHFFFAOYSA-N 0 0 425.449 -0.156 20 30 IBEDRN Cc1nn(C)c(N2CCN(C(=O)[C@@H]3OCC(=O)N(C)[C@H]3c3cnn(C)c3)CC2)c1C#N ZINC000471143246 1070810864 /nfs/dbraw/zinc/81/08/64/1070810864.db2.gz KJSIKZVYFYFHNH-ZWKOTPCHSA-N 0 0 426.481 -0.419 20 30 IBEDRN COC(=O)CN(CC#N)CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000471147256 1070812266 /nfs/dbraw/zinc/81/22/66/1070812266.db2.gz KCDZJTWUYAKETB-UHFFFAOYSA-N 0 0 439.450 -0.574 20 30 IBEDRN COC(=O)CN(CC#N)CC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 ZINC000471150419 1070812323 /nfs/dbraw/zinc/81/23/23/1070812323.db2.gz FRSVPHGPSVMUKU-UHFFFAOYSA-N 0 0 436.490 -0.279 20 30 IBEDRN COC(=O)CN(CC#N)CC(=O)N1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1 ZINC000471156523 1070815000 /nfs/dbraw/zinc/81/50/00/1070815000.db2.gz LMNBHZJQDHWEBZ-UHFFFAOYSA-N 0 0 436.490 -0.279 20 30 IBEDRN COC(=O)CN(CC#N)CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000471161517 1070818007 /nfs/dbraw/zinc/81/80/07/1070818007.db2.gz LCAWCQODQDYGQR-UHFFFAOYSA-N 0 0 439.450 -0.574 20 30 IBEDRN CCN(C(=O)CN(CC#N)CC(=O)OC)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000471163290 1070819708 /nfs/dbraw/zinc/81/97/08/1070819708.db2.gz ZSMMAXLNKNYYSH-UHFFFAOYSA-N 0 0 428.449 -0.069 20 30 IBEDRN Cn1ncc2c1ncnc2N1CCN(C(=O)CN(CCC#N)CCN2CCOCC2)CC1 ZINC000471225761 1070835852 /nfs/dbraw/zinc/83/58/52/1070835852.db2.gz FDGHNGHGTFKIRI-UHFFFAOYSA-N 0 0 441.540 -0.440 20 30 IBEDRN COCCN(C(=O)CN1CCOC[C@@H]1C#N)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000471233680 1070838234 /nfs/dbraw/zinc/83/82/34/1070838234.db2.gz FAMBOEUSPSDXIW-INIZCTEOSA-N 0 0 442.476 -0.217 20 30 IBEDRN COCCN(C(=O)CN1CCOC[C@H]1C#N)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000471233681 1070838549 /nfs/dbraw/zinc/83/85/49/1070838549.db2.gz FAMBOEUSPSDXIW-MRXNPFEDSA-N 0 0 442.476 -0.217 20 30 IBEDRN COc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCOC[C@@H]3C#N)CC2)cc1OC ZINC000471238621 1070842678 /nfs/dbraw/zinc/84/26/78/1070842678.db2.gz KXBUFELVFAVTRO-HNNXBMFYSA-N 0 0 438.506 -0.239 20 30 IBEDRN COc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCOC[C@H]3C#N)CC2)cc1OC ZINC000471238622 1070842553 /nfs/dbraw/zinc/84/25/53/1070842553.db2.gz KXBUFELVFAVTRO-OAHLLOKOSA-N 0 0 438.506 -0.239 20 30 IBEDRN COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)CN3CCOC[C@@H]3C#N)CC2)c1 ZINC000471239177 1070844087 /nfs/dbraw/zinc/84/40/87/1070844087.db2.gz NWORXRKAWQDOJN-HNNXBMFYSA-N 0 0 438.506 -0.239 20 30 IBEDRN COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)CN3CCOC[C@H]3C#N)CC2)c1 ZINC000471239178 1070844213 /nfs/dbraw/zinc/84/42/13/1070844213.db2.gz NWORXRKAWQDOJN-OAHLLOKOSA-N 0 0 438.506 -0.239 20 30 IBEDRN N#C[C@H]1COCCN1CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000471239554 1070844148 /nfs/dbraw/zinc/84/41/48/1070844148.db2.gz UQDGXLWPAPEGIV-HNNXBMFYSA-N 0 0 436.490 -0.485 20 30 IBEDRN N#C[C@@H]1COCCN1CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000471239555 1070844528 /nfs/dbraw/zinc/84/45/28/1070844528.db2.gz UQDGXLWPAPEGIV-OAHLLOKOSA-N 0 0 436.490 -0.485 20 30 IBEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)Nc2cc(-n3cnnn3)ccc2Cl)c1=O ZINC000471256512 1070847757 /nfs/dbraw/zinc/84/77/57/1070847757.db2.gz HPZFDWYJIWDVMK-UHFFFAOYSA-N 0 0 444.839 -0.189 20 30 IBEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)Nc2cc(-n3cnnn3)ccc2F)c1=O ZINC000471258079 1070847638 /nfs/dbraw/zinc/84/76/38/1070847638.db2.gz OWXMQZCFSIGFQL-UHFFFAOYSA-N 0 0 428.384 -0.703 20 30 IBEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)Nc2cc(-n3nnnc3C)ccc2F)c1=O ZINC000471260199 1070848658 /nfs/dbraw/zinc/84/86/58/1070848658.db2.gz XYIVQIZFHATQDF-UHFFFAOYSA-N 0 0 442.411 -0.394 20 30 IBEDRN Cc1cc(C(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)nn1-c1cccc(C#N)c1 ZINC000471317780 1070870976 /nfs/dbraw/zinc/87/09/76/1070870976.db2.gz QMZQOXGLTVJZBQ-MOPGFXCFSA-N 0 0 429.502 -0.032 20 30 IBEDRN Cc1cc(C(=O)N2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)nn1-c1cccc(C#N)c1 ZINC000471317781 1070869980 /nfs/dbraw/zinc/86/99/80/1070869980.db2.gz QMZQOXGLTVJZBQ-OALUTQOASA-N 0 0 429.502 -0.032 20 30 IBEDRN Cc1cc(C(=O)N2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)nn1-c1cccc(C#N)c1 ZINC000471317782 1070870687 /nfs/dbraw/zinc/87/06/87/1070870687.db2.gz QMZQOXGLTVJZBQ-RBUKOAKNSA-N 0 0 429.502 -0.032 20 30 IBEDRN Cc1cc(C(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)nn1-c1cccc(C#N)c1 ZINC000471317783 1070869956 /nfs/dbraw/zinc/86/99/56/1070869956.db2.gz QMZQOXGLTVJZBQ-RTBURBONSA-N 0 0 429.502 -0.032 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](C(=O)N(C)Cc2nnc3n2CCC3)C(C)C)C1=O ZINC000471383303 1070881201 /nfs/dbraw/zinc/88/12/01/1070881201.db2.gz UOECNIOEGPDTER-INIZCTEOSA-N 0 0 445.480 -0.700 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](C(=O)N(C)Cc2nnc3n2CCC3)C(C)C)C1=O ZINC000471383304 1070881424 /nfs/dbraw/zinc/88/14/24/1070881424.db2.gz UOECNIOEGPDTER-MRXNPFEDSA-N 0 0 445.480 -0.700 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)Nc2cccc(CC(=O)N3CCN(C)CC3)c2)C1=O ZINC000471489735 1070904327 /nfs/dbraw/zinc/90/43/27/1070904327.db2.gz WDSDIRJFTPWERO-UHFFFAOYSA-N 0 0 427.461 -0.082 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCN(c3sccc3C(=O)OC)C2=O)C1=O ZINC000471561472 1070923689 /nfs/dbraw/zinc/92/36/89/1070923689.db2.gz ZOTVTSMTMDZTAU-LLVKDONJSA-N 0 0 434.430 -0.267 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCN(c3sccc3C(=O)OC)C2=O)C1=O ZINC000471561473 1070923451 /nfs/dbraw/zinc/92/34/51/1070923451.db2.gz ZOTVTSMTMDZTAU-NSHDSACASA-N 0 0 434.430 -0.267 20 30 IBEDRN Cc1nn(C)c(N2CCN(C(=O)c3cc(S(=O)(=O)N4CCOCC4)c[nH]3)CC2)c1C#N ZINC000471678808 1070989714 /nfs/dbraw/zinc/98/97/14/1070989714.db2.gz VKYQPHUDCFDUDB-UHFFFAOYSA-N 0 0 447.521 -0.088 20 30 IBEDRN Cc1nn(C)c(N2CCN(C(=O)CCn3cnc4c3c(=O)n(C)c(=O)n4C)CC2)c1C#N ZINC000471685524 1070994482 /nfs/dbraw/zinc/99/44/82/1070994482.db2.gz BZTLPAMLFSJSAM-UHFFFAOYSA-N 0 0 439.480 -0.914 20 30 IBEDRN Cc1nn(C)c(N2CCN(C(=O)c3cnc4c(c3C)c(=O)n(C)c(=O)n4C)CC2)c1C#N ZINC000471692703 1070995022 /nfs/dbraw/zinc/99/50/22/1070995022.db2.gz JVQLQUZIHAJSEY-UHFFFAOYSA-N 0 0 436.476 -0.183 20 30 IBEDRN CN1CCN(S(=O)(=O)N2CCN(C(=O)[C@H](C#N)Cc3ccc(C#N)cc3)CC2)CC1 ZINC000471698431 1070995758 /nfs/dbraw/zinc/99/57/58/1070995758.db2.gz PYWVAKPQAHRNLI-IBGZPJMESA-N 0 0 430.534 -0.123 20 30 IBEDRN CN1CCN(S(=O)(=O)N2CCN(C(=O)[C@@H](C#N)Cc3ccc(C#N)cc3)CC2)CC1 ZINC000471698432 1070995699 /nfs/dbraw/zinc/99/56/99/1070995699.db2.gz PYWVAKPQAHRNLI-LJQANCHMSA-N 0 0 430.534 -0.123 20 30 IBEDRN CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000471709847 1070997160 /nfs/dbraw/zinc/99/71/60/1070997160.db2.gz USMBVZAUNUDRHO-LLVKDONJSA-N 0 0 430.464 -0.220 20 30 IBEDRN CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000471709848 1070997144 /nfs/dbraw/zinc/99/71/44/1070997144.db2.gz USMBVZAUNUDRHO-NSHDSACASA-N 0 0 430.464 -0.220 20 30 IBEDRN N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000471779050 1071004494 /nfs/dbraw/zinc/00/44/94/1071004494.db2.gz GRGDHPDHETWCAC-UHFFFAOYSA-N 0 0 445.479 -0.650 20 30 IBEDRN N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000471783077 1071005016 /nfs/dbraw/zinc/00/50/16/1071005016.db2.gz WIDMWZHGMWGOJS-UHFFFAOYSA-N 0 0 437.434 -0.842 20 30 IBEDRN COCCNC(=O)Cn1cc(NC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cn1 ZINC000472007800 1071049890 /nfs/dbraw/zinc/04/98/90/1071049890.db2.gz GGECHSPFSMMSNG-UHFFFAOYSA-N 0 0 429.485 -0.087 20 30 IBEDRN Cc1nn(C)c(N2CCN(C(=O)NCCNS(=O)(=O)Cc3ccon3)CC2)c1C#N ZINC000472061199 1071055806 /nfs/dbraw/zinc/05/58/06/1071055806.db2.gz ASDICEDAAUKFID-UHFFFAOYSA-N 0 0 436.498 -0.461 20 30 IBEDRN CC(=O)N1CCN(C(=O)CCNC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)CC1 ZINC000472082003 1071058684 /nfs/dbraw/zinc/05/86/84/1071058684.db2.gz FIKDQNLJBHPDOT-UHFFFAOYSA-N 0 0 430.513 -0.487 20 30 IBEDRN Cc1nn(C)c(N2CCN(C(=O)NCCNS(=O)(=O)c3cccnc3)CC2)c1C#N ZINC000472091048 1071059883 /nfs/dbraw/zinc/05/98/83/1071059883.db2.gz UPQUKHMPXXHESG-UHFFFAOYSA-N 0 0 432.510 -0.195 20 30 IBEDRN Cc1nn(C)c(N2CCN(C(=O)NCCS(=O)(=O)N3CCSCC3)CC2)c1C#N ZINC000472108435 1071061793 /nfs/dbraw/zinc/06/17/93/1071061793.db2.gz OLHNCZRMVJHGPC-UHFFFAOYSA-N 0 0 441.583 -0.190 20 30 IBEDRN Cc1nn(C)c(N2CCN(CC(=O)N3CCN(CC(=O)NC(C)(C)C)CC3)CC2)c1C#N ZINC000472148567 1071066063 /nfs/dbraw/zinc/06/60/63/1071066063.db2.gz AGTSBWKTKXTLER-UHFFFAOYSA-N 0 0 444.584 -0.219 20 30 IBEDRN Cc1nn(C)c(N2CCN(CC(=O)NCCc3ccc(S(N)(=O)=O)cc3)CC2)c1C#N ZINC000472148631 1071066833 /nfs/dbraw/zinc/06/68/33/1071066833.db2.gz BAQHDIXZSYBHDI-UHFFFAOYSA-N 0 0 445.549 -0.272 20 30 IBEDRN Cc1nn(C)c(N2CCN(CC(=O)N3CCN([C@H]4CCS(=O)(=O)C4)CC3)CC2)c1C#N ZINC000472148927 1071066651 /nfs/dbraw/zinc/06/66/51/1071066651.db2.gz BDYWFLXTTHIHEM-KRWDZBQOSA-N 0 0 449.581 -0.947 20 30 IBEDRN Cc1nn(C)c(N2CCN(CC(=O)N3CCN([C@@H]4CCS(=O)(=O)C4)CC3)CC2)c1C#N ZINC000472148929 1071066799 /nfs/dbraw/zinc/06/67/99/1071066799.db2.gz BDYWFLXTTHIHEM-QGZVFWFLSA-N 0 0 449.581 -0.947 20 30 IBEDRN Cc1nn(C)c(N2CCN(CC(=O)NCc3ccc(OCC(N)=O)cc3)CC2)c1C#N ZINC000472151061 1071067423 /nfs/dbraw/zinc/06/74/23/1071067423.db2.gz FTKPZTRKZRUESR-UHFFFAOYSA-N 0 0 425.493 -0.097 20 30 IBEDRN COCCN(C(=O)CN1CCN(c2c(C#N)c(C)nn2C)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000472152580 1071066870 /nfs/dbraw/zinc/06/68/70/1071066870.db2.gz AARSKFJXMSKZST-INIZCTEOSA-N 0 0 438.554 -0.616 20 30 IBEDRN COCCN(C(=O)CN1CCN(c2c(C#N)c(C)nn2C)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000472152581 1071066784 /nfs/dbraw/zinc/06/67/84/1071066784.db2.gz AARSKFJXMSKZST-MRXNPFEDSA-N 0 0 438.554 -0.616 20 30 IBEDRN N#Cc1ccc(C[C@H](C#N)C(=O)N2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000472155039 1071067957 /nfs/dbraw/zinc/06/79/57/1071067957.db2.gz JLFVXWKRLNFRRP-MOPGFXCFSA-N 0 0 443.529 -0.312 20 30 IBEDRN N#Cc1ccc(C[C@@H](C#N)C(=O)N2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000472155057 1071067704 /nfs/dbraw/zinc/06/77/04/1071067704.db2.gz JLFVXWKRLNFRRP-OALUTQOASA-N 0 0 443.529 -0.312 20 30 IBEDRN N#Cc1ccc(C[C@@H](C#N)C(=O)N2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000472155060 1071067885 /nfs/dbraw/zinc/06/78/85/1071067885.db2.gz JLFVXWKRLNFRRP-RBUKOAKNSA-N 0 0 443.529 -0.312 20 30 IBEDRN N#Cc1ccc(C[C@H](C#N)C(=O)N2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000472155062 1071067852 /nfs/dbraw/zinc/06/78/52/1071067852.db2.gz JLFVXWKRLNFRRP-RTBURBONSA-N 0 0 443.529 -0.312 20 30 IBEDRN COCCn1c(N)c(C(=O)CN2CCN(c3c(C#N)c(C)nn3C)CC2)c(=O)[nH]c1=O ZINC000472155190 1071068513 /nfs/dbraw/zinc/06/85/13/1071068513.db2.gz MBLAIZMMSCCNEA-UHFFFAOYSA-N 0 0 430.469 -0.904 20 30 IBEDRN Cc1nn(C)c(N2CCN(CC(=O)N3CCc4cc(S(N)(=O)=O)ccc43)CC2)c1C#N ZINC000472155742 1071068256 /nfs/dbraw/zinc/06/82/56/1071068256.db2.gz LUHBSKJKKISTNF-UHFFFAOYSA-N 0 0 443.533 -0.041 20 30 IBEDRN Cc1nn(C)c(N2CCN(CC(=O)c3c(N)n(CC(C)C)c(=O)n(C)c3=O)CC2)c1C#N ZINC000472159261 1071068839 /nfs/dbraw/zinc/06/88/39/1071068839.db2.gz SAHJKLKXHBLWBE-UHFFFAOYSA-N 0 0 442.524 -0.296 20 30 IBEDRN Cc1nn(C)c(N2CCN(CC(=O)NCCCN(C(C)C)S(C)(=O)=O)CC2)c1C#N ZINC000472163377 1071069761 /nfs/dbraw/zinc/06/97/61/1071069761.db2.gz YXXIPAFKFFZBKW-UHFFFAOYSA-N 0 0 439.586 -0.102 20 30 IBEDRN Cc1nn(C)c(N2CCN(CCCn3c(=O)c4c(ncn4C)n(C)c3=O)CC2)c1C#N ZINC000472165099 1071070085 /nfs/dbraw/zinc/07/00/85/1071070085.db2.gz VUKXSFSVRPBZEW-UHFFFAOYSA-N 0 0 425.497 -0.440 20 30 IBEDRN Cc1nn(C)c(N2CCN(S(=O)(=O)c3cnc4c(c3)c(=O)[nH]c(=O)n4C)CC2)c1C#N ZINC000472189147 1071074597 /nfs/dbraw/zinc/07/45/97/1071074597.db2.gz GCUXNPPWKOUUFH-UHFFFAOYSA-N 0 0 444.477 -0.541 20 30 IBEDRN Cc1nn(C)c(N2CCN(S(=O)(=O)c3ccc4[nH]c(=O)c(=O)[nH]c4c3)CC2)c1C#N ZINC000472208675 1071080204 /nfs/dbraw/zinc/08/02/04/1071080204.db2.gz VDJJPJLVOVSHJC-UHFFFAOYSA-N 0 0 429.462 -0.359 20 30 IBEDRN Cc1nn(C)c(N2CCN(C(=O)CCNS(=O)(=O)c3cn(C)c(C)n3)CC2)c1C#N ZINC000472249952 1071120393 /nfs/dbraw/zinc/12/03/93/1071120393.db2.gz MCCUZDOSWVIHLL-UHFFFAOYSA-N 0 0 434.526 -0.341 20 30 IBEDRN Cc1nn(C)c(N2CCN(C(=O)[C@@H]3CC(=O)N([C@H]4CCS(=O)(=O)C4)C3)CC2)c1C#N ZINC000472268559 1071126968 /nfs/dbraw/zinc/12/69/68/1071126968.db2.gz OXWIFYPLUBSGKB-CABCVRRESA-N 0 0 434.522 -0.716 20 30 IBEDRN Cc1nn(C)c(N2CCN(C(=O)[C@H]3CC(=O)N([C@H]4CCS(=O)(=O)C4)C3)CC2)c1C#N ZINC000472268560 1071127355 /nfs/dbraw/zinc/12/73/55/1071127355.db2.gz OXWIFYPLUBSGKB-GJZGRUSLSA-N 0 0 434.522 -0.716 20 30 IBEDRN Cc1nn(C)c(N2CCN(C(=O)[C@@H]3CC(=O)N([C@@H]4CCS(=O)(=O)C4)C3)CC2)c1C#N ZINC000472268561 1071126945 /nfs/dbraw/zinc/12/69/45/1071126945.db2.gz OXWIFYPLUBSGKB-HUUCEWRRSA-N 0 0 434.522 -0.716 20 30 IBEDRN Cc1nn(C)c(N2CCN(C(=O)[C@H]3CC(=O)N([C@@H]4CCS(=O)(=O)C4)C3)CC2)c1C#N ZINC000472268562 1071127253 /nfs/dbraw/zinc/12/72/53/1071127253.db2.gz OXWIFYPLUBSGKB-LSDHHAIUSA-N 0 0 434.522 -0.716 20 30 IBEDRN COC(=O)[C@@H]1COCCN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000472278066 1071146539 /nfs/dbraw/zinc/14/65/39/1071146539.db2.gz KYVKDWASNACFHD-INIZCTEOSA-N 0 0 436.490 -0.735 20 30 IBEDRN COC(=O)[C@H]1COCCN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000472278067 1071147461 /nfs/dbraw/zinc/14/74/61/1071147461.db2.gz KYVKDWASNACFHD-MRXNPFEDSA-N 0 0 436.490 -0.735 20 30 IBEDRN Cc1nn(C)c(N2CCN(C(=O)[C@H](C)NS(=O)(=O)c3c(C)nn(C)c3C)CC2)c1C#N ZINC000472278963 1071148049 /nfs/dbraw/zinc/14/80/49/1071148049.db2.gz SWFISUCOXYAWOT-AWEZNQCLSA-N 0 0 448.553 -0.034 20 30 IBEDRN Cc1nn(C)c(N2CCN(C(=O)[C@@H](C)NS(=O)(=O)c3c(C)nn(C)c3C)CC2)c1C#N ZINC000472278967 1071148073 /nfs/dbraw/zinc/14/80/73/1071148073.db2.gz SWFISUCOXYAWOT-CQSZACIVSA-N 0 0 448.553 -0.034 20 30 IBEDRN Cc1nn(C)c(N2CCN(C(=O)[C@H]3CC(=O)N(CCN4CCOCC4)C3)CC2)c1C#N ZINC000472283273 1071155932 /nfs/dbraw/zinc/15/59/32/1071155932.db2.gz ZNLYBNGSAWNOMP-KRWDZBQOSA-N 0 0 429.525 -0.571 20 30 IBEDRN Cc1nn(C)c(N2CCN(C(=O)[C@@H]3CC(=O)N(CCN4CCOCC4)C3)CC2)c1C#N ZINC000472283274 1071155800 /nfs/dbraw/zinc/15/58/00/1071155800.db2.gz ZNLYBNGSAWNOMP-QGZVFWFLSA-N 0 0 429.525 -0.571 20 30 IBEDRN Cc1nn(C)c(N2CCN(C(=O)Cn3cc(Br)c(=O)[nH]c3=O)CC2)c1C#N ZINC000472286724 1071167041 /nfs/dbraw/zinc/16/70/41/1071167041.db2.gz KIBWFOYQVXKVCW-UHFFFAOYSA-N 0 0 436.270 -0.026 20 30 IBEDRN Cc1nn(C)c(N2CCN(C(=O)Nc3cnc4c(c3)c(=O)n(C)c(=O)n4C)CC2)c1C#N ZINC000472307745 1071210021 /nfs/dbraw/zinc/21/00/21/1071210021.db2.gz ZQKFUANIQMVIOC-UHFFFAOYSA-N 0 0 437.464 -0.100 20 30 IBEDRN N#Cc1ccc(NCCN2CCCS2(=O)=O)nc1NCCN1CCCS1(=O)=O ZINC000472372271 1073315762 /nfs/dbraw/zinc/31/57/62/1073315762.db2.gz JDBQKZDCHWZAPT-UHFFFAOYSA-N 0 0 428.540 -0.152 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc3[nH]c(C(=O)NC)cc3c2)CC1 ZINC000472631822 1071321518 /nfs/dbraw/zinc/32/15/18/1071321518.db2.gz OLYBAAFAHAAYQL-UHFFFAOYSA-N 0 0 426.477 -0.088 20 30 IBEDRN Cc1nn(C)c(N2CCN(C(=O)CCN3CCN(C(=O)[C@@H]4CCCO4)CC3)CC2)c1C#N ZINC000472667548 1071328481 /nfs/dbraw/zinc/32/84/81/1071328481.db2.gz FZMOWLJCXRHCLT-IBGZPJMESA-N 0 0 443.552 -0.038 20 30 IBEDRN Cc1nn(C)c(N2CCN(C(=O)CCN3CCN(C(=O)[C@H]4CCCO4)CC3)CC2)c1C#N ZINC000472667552 1071328618 /nfs/dbraw/zinc/32/86/18/1071328618.db2.gz FZMOWLJCXRHCLT-LJQANCHMSA-N 0 0 443.552 -0.038 20 30 IBEDRN Cc1nn(C)c(N2CCN(C(=O)c3cc(C)c4c(n3)n(C)c(=O)n(C)c4=O)CC2)c1C#N ZINC000472743985 1071331465 /nfs/dbraw/zinc/33/14/65/1071331465.db2.gz BPVAVPWIPUSJAM-UHFFFAOYSA-N 0 0 436.476 -0.183 20 30 IBEDRN O=C(CN1CCN(CC#CCN2CCN(CC(=O)N3CCCC3)CC2)CC1)N1CCCC1 ZINC000472775305 1071334863 /nfs/dbraw/zinc/33/48/63/1071334863.db2.gz YZCNMPXPMJVYPR-UHFFFAOYSA-N 0 0 444.624 -0.530 20 30 IBEDRN Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3cccc(OCC(N)=O)c3)CC2)c1C#N ZINC000472850798 1071337670 /nfs/dbraw/zinc/33/76/70/1071337670.db2.gz GNRJKELPMBSRNI-UHFFFAOYSA-N 0 0 425.449 -0.248 20 30 IBEDRN CCOC(=O)c1cnn(C)c1NC(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC000472851003 1071336900 /nfs/dbraw/zinc/33/69/00/1071336900.db2.gz HCNQBVMBWPVXOC-UHFFFAOYSA-N 0 0 428.453 -0.202 20 30 IBEDRN Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3cc(F)cc(S(N)(=O)=O)c3)CC2)c1C#N ZINC000472855328 1071338000 /nfs/dbraw/zinc/33/80/00/1071338000.db2.gz HCGYVWBTKDAVTN-UHFFFAOYSA-N 0 0 449.468 -0.326 20 30 IBEDRN Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3ccc(S(C)(=O)=O)nc3)CC2)c1C#N ZINC000472859579 1071338540 /nfs/dbraw/zinc/33/85/40/1071338540.db2.gz XCCWHTFEYWPMIT-UHFFFAOYSA-N 0 0 431.478 -0.314 20 30 IBEDRN Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3ccc(-n4ncn(C)c4=O)cc3)CC2)c1C#N ZINC000472860140 1071338462 /nfs/dbraw/zinc/33/84/62/1071338462.db2.gz MWVRSDVIUODAJX-UHFFFAOYSA-N 0 0 449.475 -0.228 20 30 IBEDRN CNS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)c1 ZINC000472862297 1071338526 /nfs/dbraw/zinc/33/85/26/1071338526.db2.gz QICYRWNLSFSLAO-UHFFFAOYSA-N 0 0 445.505 -0.204 20 30 IBEDRN Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3ccc(OCC(N)=O)cc3)CC2)c1C#N ZINC000472865385 1071339209 /nfs/dbraw/zinc/33/92/09/1071339209.db2.gz VYHQZKAMSOBCPH-UHFFFAOYSA-N 0 0 425.449 -0.248 20 30 IBEDRN COc1ncnc(N(C)C)c1NC(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC000472868457 1071339988 /nfs/dbraw/zinc/33/99/88/1071339988.db2.gz GYAAVFXMUMADEA-UHFFFAOYSA-N 0 0 427.469 -0.248 20 30 IBEDRN CCOC(=O)c1cn(C)nc1NC(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC000472868526 1073341218 /nfs/dbraw/zinc/34/12/18/1073341218.db2.gz KLFZPJIQEJVRIB-UHFFFAOYSA-N 0 0 428.453 -0.202 20 30 IBEDRN Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3cnn(CC(=O)N(C)C)c3)CC2)c1C#N ZINC000472868930 1071339970 /nfs/dbraw/zinc/33/99/70/1071339970.db2.gz JDYKPFPETNCSLK-UHFFFAOYSA-N 0 0 427.469 -0.828 20 30 IBEDRN Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3ccc4n[nH]c(C(N)=O)c4c3)CC2)c1C#N ZINC000472869373 1071340480 /nfs/dbraw/zinc/34/04/80/1071340480.db2.gz JPXGJXDEKZZEOP-UHFFFAOYSA-N 0 0 435.448 -0.137 20 30 IBEDRN Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3cnn(CC(=O)NC4CC4)c3)CC2)c1C#N ZINC000472871418 1071339917 /nfs/dbraw/zinc/33/99/17/1071339917.db2.gz ONSGUVCESNXEMJ-UHFFFAOYSA-N 0 0 439.480 -0.637 20 30 IBEDRN Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3ccc(C)c(S(N)(=O)=O)c3)CC2)c1C#N ZINC000472872826 1071340653 /nfs/dbraw/zinc/34/06/53/1071340653.db2.gz SKGQOCDDPUBHBM-UHFFFAOYSA-N 0 0 445.505 -0.157 20 30 IBEDRN COc1c(NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cccc1C(N)=O ZINC000472873976 1071340623 /nfs/dbraw/zinc/34/06/23/1071340623.db2.gz YPKWMSNURBNUSX-UHFFFAOYSA-N 0 0 425.449 -0.005 20 30 IBEDRN Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3cccc(S(N)(=O)=O)c3)CC2)c1C#N ZINC000472874436 1071340605 /nfs/dbraw/zinc/34/06/05/1071340605.db2.gz MDJRVIYVGOXKPA-UHFFFAOYSA-N 0 0 431.478 -0.465 20 30 IBEDRN COc1ncc(NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1C(N)=O ZINC000472892765 1071341561 /nfs/dbraw/zinc/34/15/61/1071341561.db2.gz VJZBSYSIBXKDDT-UHFFFAOYSA-N 0 0 426.437 -0.610 20 30 IBEDRN Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3ccn(CC(=O)N(C)C)n3)CC2)c1C#N ZINC000472897103 1074348836 /nfs/dbraw/zinc/34/88/36/1074348836.db2.gz VAWLVYAOFAWBQN-UHFFFAOYSA-N 0 0 427.469 -0.828 20 30 IBEDRN COCCNS(=O)(=O)c1c[nH]c(C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)c1 ZINC000472995857 1071352221 /nfs/dbraw/zinc/35/22/21/1071352221.db2.gz AQLBKULYHPCRQT-UHFFFAOYSA-N 0 0 435.510 -0.185 20 30 IBEDRN Cc1nn(C)c(N2CCN(C(=O)CCS(=O)(=O)NCC(=O)NC(C)C)CC2)c1C#N ZINC000473003586 1071352883 /nfs/dbraw/zinc/35/28/83/1071352883.db2.gz VWDISMHISSVAJY-UHFFFAOYSA-N 0 0 439.542 -0.917 20 30 IBEDRN Cc1nn(C)c(N2CCN(C(=O)c3ccc(S(=O)(=O)CC(N)=O)cc3)CC2)c1C#N ZINC000473007108 1071353525 /nfs/dbraw/zinc/35/35/25/1071353525.db2.gz FZCZXAIHUFAEHP-UHFFFAOYSA-N 0 0 430.490 -0.178 20 30 IBEDRN Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)c1C#N ZINC000473110813 1071421692 /nfs/dbraw/zinc/42/16/92/1071421692.db2.gz XAMQLAYDHBFDOO-UHFFFAOYSA-N 0 0 431.478 -0.465 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H](c3n[nH]cc3C(=O)NCCOC)C2)C1=O ZINC000473276716 1071530358 /nfs/dbraw/zinc/53/03/58/1071530358.db2.gz LOSMLJMXSZRIFU-CYBMUJFWSA-N 0 0 446.464 -0.531 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@H](c3n[nH]cc3C(=O)NCCOC)C2)C1=O ZINC000473276717 1071530394 /nfs/dbraw/zinc/53/03/94/1071530394.db2.gz LOSMLJMXSZRIFU-ZDUSSCGKSA-N 0 0 446.464 -0.531 20 30 IBEDRN Cc1nc(C#N)c(N2CCC(C(=O)N3CCN(C(=O)C(=O)N4CCOCC4)CC3)CC2)o1 ZINC000473291787 1071530743 /nfs/dbraw/zinc/53/07/43/1071530743.db2.gz APQBLGVUGBYSBI-UHFFFAOYSA-N 0 0 444.492 -0.399 20 30 IBEDRN COc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC000473371446 1071538286 /nfs/dbraw/zinc/53/82/86/1071538286.db2.gz GGYOEEWIKMCXOI-UHFFFAOYSA-N 0 0 427.417 -0.675 20 30 IBEDRN CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC000473388872 1071540950 /nfs/dbraw/zinc/54/09/50/1071540950.db2.gz MAKQLHOLPIHLLB-UHFFFAOYSA-N 0 0 441.444 -0.285 20 30 IBEDRN COCCNC(=O)CN1CCN(C(=O)[C@@H]2CCC(=O)N2Cc2cccc(C#N)c2)CC1 ZINC000473389239 1071540930 /nfs/dbraw/zinc/54/09/30/1071540930.db2.gz MJMOIWCBOAFUCE-IBGZPJMESA-N 0 0 427.505 -0.044 20 30 IBEDRN COCCNC(=O)CN1CCN(C(=O)[C@H]2CCC(=O)N2Cc2cccc(C#N)c2)CC1 ZINC000473389240 1071541009 /nfs/dbraw/zinc/54/10/09/1071541009.db2.gz MJMOIWCBOAFUCE-LJQANCHMSA-N 0 0 427.505 -0.044 20 30 IBEDRN N#Cc1cc(NC(=O)C(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)ccc1Cl ZINC000473389472 1071540269 /nfs/dbraw/zinc/54/02/69/1071540269.db2.gz MTCKOUNYJWHVMI-UHFFFAOYSA-N 0 0 431.836 -0.030 20 30 IBEDRN CN(C)C(=O)CCN1CCN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)CC1 ZINC000473444286 1073353608 /nfs/dbraw/zinc/35/36/08/1073353608.db2.gz SOHRTLHVVISWAD-UHFFFAOYSA-N 0 0 438.492 -0.241 20 30 IBEDRN CCOC(=O)c1cnn(CCC#N)c1NC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000473929273 1072277632 /nfs/dbraw/zinc/27/76/32/1072277632.db2.gz UAAOUYGORULFSX-UHFFFAOYSA-N 0 0 428.409 -0.641 20 30 IBEDRN CCOC(=O)c1cnn(CCC#N)c1NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000473929842 1072277709 /nfs/dbraw/zinc/27/77/09/1072277709.db2.gz WHGBVQHKBYVHCJ-UHFFFAOYSA-N 0 0 428.409 -0.641 20 30 IBEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCN(CCS(N)(=O)=O)CC2)cc1 ZINC000473992690 1072296331 /nfs/dbraw/zinc/29/63/31/1072296331.db2.gz QOANWVMBFUXWOM-UHFFFAOYSA-N 0 0 445.567 -0.069 20 30 IBEDRN CN(C(=O)CNC(=O)c1ccc(C#N)cc1)C1CCN(CC(=O)N2CCN(C)CC2)CC1 ZINC000474155151 1072526934 /nfs/dbraw/zinc/52/69/34/1072526934.db2.gz VULYMTBOCKOSCD-UHFFFAOYSA-N 0 0 440.548 -0.015 20 30 IBEDRN Cc1nc(S(=O)(=O)N2CCN(C(=O)CNC(=O)c3ccc(C#N)cc3)CC2)cn1C ZINC000474244817 1072531478 /nfs/dbraw/zinc/53/14/78/1072531478.db2.gz IMZMMUMRVYUHNY-UHFFFAOYSA-N 0 0 430.490 -0.137 20 30 IBEDRN CCn1c(=O)c(=Cc2ccc(C)cn2)sc1=C(C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000474328878 1072533810 /nfs/dbraw/zinc/53/38/10/1072533810.db2.gz GSGHBYIHDFXUCR-UHFFFAOYSA-N 0 0 432.527 -0.607 20 30 IBEDRN CCn1c(=O)c(=Cc2ccc(C)cn2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000474332712 1072533708 /nfs/dbraw/zinc/53/37/08/1072533708.db2.gz QQDJLGPIBJZGBZ-UHFFFAOYSA-N 0 0 427.530 -0.415 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cn2)c(=O)n1CCCC(=O)OC ZINC000474336851 1072533771 /nfs/dbraw/zinc/53/37/71/1072533771.db2.gz JQWQAYJKJNKBDK-UHFFFAOYSA-N 0 0 444.513 -0.168 20 30 IBEDRN Cc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CCNS(C)(=O)=O)c2=O)nc1 ZINC000474341261 1072533875 /nfs/dbraw/zinc/53/38/75/1072533875.db2.gz IOQLMHNHDKTQPA-UHFFFAOYSA-N 0 0 449.558 -0.810 20 30 IBEDRN Cc1ccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CCNS(C)(=O)=O)c2=O)nc1 ZINC000474341408 1072533842 /nfs/dbraw/zinc/53/38/42/1072533842.db2.gz JAGMQDJVPJPHJE-UHFFFAOYSA-N 0 0 434.543 -0.109 20 30 IBEDRN C=CCn1c(=O)c(=Cc2ccc(C)cn2)sc1=C(C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000474342171 1072533904 /nfs/dbraw/zinc/53/39/04/1072533904.db2.gz SWESQBOGCLOAGQ-UHFFFAOYSA-N 0 0 444.538 -0.441 20 30 IBEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cn2)c(=O)n1CCNS(C)(=O)=O ZINC000474342690 1072533718 /nfs/dbraw/zinc/53/37/18/1072533718.db2.gz RIGOILWYNBKFIZ-UHFFFAOYSA-N 0 0 449.558 -0.808 20 30 IBEDRN C=CCn1c(=O)c(=Cc2ccc(C)cn2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000474343060 1072533854 /nfs/dbraw/zinc/53/38/54/1072533854.db2.gz YCDMBAPCQDPJBG-UHFFFAOYSA-N 0 0 439.541 -0.249 20 30 IBEDRN CCCn1c(=O)c(=Cc2ccc(C)cn2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000474348928 1072533801 /nfs/dbraw/zinc/53/38/01/1072533801.db2.gz HVWXAHVEQQYWAN-UHFFFAOYSA-N 0 0 441.557 -0.025 20 30 IBEDRN Cc1ccc(C=c2sc(=C(C#N)C(=O)N3CCS(=O)(=O)CC3)n(C3CC3)c2=O)nc1 ZINC000474356558 1072533891 /nfs/dbraw/zinc/53/38/91/1072533891.db2.gz RNELASITXVVNPK-UHFFFAOYSA-N 0 0 444.538 -0.292 20 30 IBEDRN CCCn1c(=O)c(=Cc2ccc(C)cn2)sc1=C(C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000474356709 1072533732 /nfs/dbraw/zinc/53/37/32/1072533732.db2.gz SMVBEYKGJCDAQJ-UHFFFAOYSA-N 0 0 446.554 -0.217 20 30 IBEDRN Cc1ccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C3CC3)c2=O)nc1 ZINC000474359237 1072534269 /nfs/dbraw/zinc/53/42/69/1072534269.db2.gz VZIDBVLRGZKTFJ-UHFFFAOYSA-N 0 0 439.541 -0.100 20 30 IBEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cn2)c(=O)n1CCN1CCOCC1 ZINC000474362107 1072534343 /nfs/dbraw/zinc/53/43/43/1072534343.db2.gz HLPDQRMRQLHQFQ-UHFFFAOYSA-N 0 0 441.557 -0.025 20 30 IBEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cn2)c(=O)n1CCN1CCOCC1 ZINC000474363331 1072534303 /nfs/dbraw/zinc/53/43/03/1072534303.db2.gz OFKHOWIGMORHDC-UHFFFAOYSA-N 0 0 439.541 -0.249 20 30 IBEDRN Cc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CCN3CCOCC3)c2=O)nc1 ZINC000474364313 1072534374 /nfs/dbraw/zinc/53/43/74/1072534374.db2.gz VVNURQIIJDPKDL-UHFFFAOYSA-N 0 0 441.557 -0.027 20 30 IBEDRN Cc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCN3CCOCC3)c2=O)nc1 ZINC000474364629 1072534383 /nfs/dbraw/zinc/53/43/83/1072534383.db2.gz ZUWBXHUGWCCLJO-UHFFFAOYSA-N 0 0 439.541 -0.273 20 30 IBEDRN N#Cc1ccc(OCCNC(=O)C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)cc1 ZINC000474570408 1072539797 /nfs/dbraw/zinc/53/97/97/1072539797.db2.gz OAKPQHCCEAIWRN-UHFFFAOYSA-N 0 0 426.433 -0.253 20 30 IBEDRN C=C(C)COCCNC(=O)N1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000475084370 1072590286 /nfs/dbraw/zinc/59/02/86/1072590286.db2.gz YKOSHTTYRFNSSM-UHFFFAOYSA-N 0 0 446.551 -0.057 20 30 IBEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCN3C(=O)N=NC3C2)CC1 ZINC000475090911 1072590458 /nfs/dbraw/zinc/59/04/58/1072590458.db2.gz AZZSEPKFJIAFIM-UHFFFAOYSA-N 0 0 431.478 -0.796 20 30 IBEDRN COCCNC(=O)Cn1cc(NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)cn1 ZINC000475164854 1072593687 /nfs/dbraw/zinc/59/36/87/1072593687.db2.gz UFCGHUBJHMSWDC-UHFFFAOYSA-N 0 0 440.464 -0.800 20 30 IBEDRN COCCNC(=O)Cn1cc(NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)cn1 ZINC000475192443 1072596051 /nfs/dbraw/zinc/59/60/51/1072596051.db2.gz GUBIGARQQUPCCK-UHFFFAOYSA-N 0 0 440.464 -0.800 20 30 IBEDRN COCCNC(=O)Cn1cc(NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)cn1 ZINC000475202484 1072597506 /nfs/dbraw/zinc/59/75/06/1072597506.db2.gz MEQJCXKDGNHISW-UHFFFAOYSA-N 0 0 440.464 -0.800 20 30 IBEDRN COCCNC(=O)Cn1cc(NC(=O)C(=O)N2CCN(c3ccccc3C#N)CC2)cn1 ZINC000475243530 1072598453 /nfs/dbraw/zinc/59/84/53/1072598453.db2.gz FTZZWKIHKMRWAA-UHFFFAOYSA-N 0 0 439.476 -0.195 20 30 IBEDRN COc1nn(C)cc1NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000475392505 1072607564 /nfs/dbraw/zinc/60/75/64/1072607564.db2.gz HWYIMYYWXRZSRU-UHFFFAOYSA-N 0 0 432.462 -0.228 20 30 IBEDRN COc1nn(C)cc1NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000475401051 1072607598 /nfs/dbraw/zinc/60/75/98/1072607598.db2.gz YTSPPROSWAVAGQ-UHFFFAOYSA-N 0 0 432.462 -0.228 20 30 IBEDRN COCCC(=O)N1CCN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)CC1 ZINC000475426513 1072609437 /nfs/dbraw/zinc/60/94/37/1072609437.db2.gz XGWXHCUQUJYRGJ-UHFFFAOYSA-N 0 0 425.449 -0.156 20 30 IBEDRN C=CCNC(=O)CN1CCN(c2cc(N3CCN(CC(=O)NCC=C)CC3)ncn2)CC1 ZINC000475454438 1072614890 /nfs/dbraw/zinc/61/48/90/1072614890.db2.gz XRINFEIOBVLXLZ-UHFFFAOYSA-N 0 0 442.568 -0.675 20 30 IBEDRN N#Cc1ccc(Cl)c(S(=O)(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)c1 ZINC000475536708 1072625179 /nfs/dbraw/zinc/62/51/79/1072625179.db2.gz BYCRVKSWJNWATP-UHFFFAOYSA-N 0 0 426.882 -0.097 20 30 IBEDRN COCCCS(=O)(=O)NCCN1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000475751604 1072868159 /nfs/dbraw/zinc/86/81/59/1072868159.db2.gz YMDMMRTVRLRHQI-UHFFFAOYSA-N 0 0 430.552 -0.180 20 30 IBEDRN COCCN(CC(=O)NCCCN(C)S(C)(=O)=O)S(=O)(=O)c1ccc(C#N)cc1 ZINC000475760141 1072868751 /nfs/dbraw/zinc/86/87/51/1072868751.db2.gz NMEYODWMKSAKSH-UHFFFAOYSA-N 0 0 446.551 -0.407 20 30 IBEDRN Cn1ncc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)c1C#N ZINC000475774415 1072870036 /nfs/dbraw/zinc/87/00/36/1072870036.db2.gz YUAOPUXONTUZFY-UHFFFAOYSA-N 0 0 430.446 -0.231 20 30 IBEDRN CN(C)C(=O)Cn1cnc(NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 ZINC000475828929 1072874028 /nfs/dbraw/zinc/87/40/28/1072874028.db2.gz GQHAODQFLYQGPQ-UHFFFAOYSA-N 0 0 446.493 -0.224 20 30 IBEDRN CN(C)C(=O)Cn1cnc(NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n1 ZINC000475833201 1072874470 /nfs/dbraw/zinc/87/44/70/1072874470.db2.gz CHWHGNABTKGQIM-UHFFFAOYSA-N 0 0 446.493 -0.224 20 30 IBEDRN C[C@@H](NC(=O)[C@@H]1CCC(=O)N1Cc1cccc(C#N)c1)C(=O)N1CCS(=O)(=O)CC1 ZINC000476029116 1072983382 /nfs/dbraw/zinc/98/33/82/1072983382.db2.gz XPHFTMNPQIVKIS-PBHICJAKSA-N 0 0 432.502 -0.189 20 30 IBEDRN C[C@@H](NC(=O)[C@H]1CCC(=O)N1Cc1cccc(C#N)c1)C(=O)N1CCS(=O)(=O)CC1 ZINC000476029123 1072983435 /nfs/dbraw/zinc/98/34/35/1072983435.db2.gz XPHFTMNPQIVKIS-RHSMWYFYSA-N 0 0 432.502 -0.189 20 30 IBEDRN C[C@H](NC(=O)[C@H]1CCC(=O)N1Cc1cccc(C#N)c1)C(=O)N1CCS(=O)(=O)CC1 ZINC000476029125 1072983524 /nfs/dbraw/zinc/98/35/24/1072983524.db2.gz XPHFTMNPQIVKIS-WMLDXEAASA-N 0 0 432.502 -0.189 20 30 IBEDRN C[C@H](NC(=O)[C@@H]1CCC(=O)N1Cc1cccc(C#N)c1)C(=O)N1CCS(=O)(=O)CC1 ZINC000476029127 1072984257 /nfs/dbraw/zinc/98/42/57/1072984257.db2.gz XPHFTMNPQIVKIS-YOEHRIQHSA-N 0 0 432.502 -0.189 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)Nc2cnn(CC(=O)N3C[C@@H](C)O[C@@H](C)C3)c2)CC1 ZINC000476071661 1072989748 /nfs/dbraw/zinc/98/97/48/1072989748.db2.gz KZIVZVRRFXHQNM-CALCHBBNSA-N 0 0 447.540 -0.029 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)Nc2cnn(CC(=O)N3C[C@@H](C)O[C@H](C)C3)c2)CC1 ZINC000476071662 1072989696 /nfs/dbraw/zinc/98/96/96/1072989696.db2.gz KZIVZVRRFXHQNM-IAGOWNOFSA-N 0 0 447.540 -0.029 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)Nc2cnn(CC(=O)N3C[C@H](C)O[C@@H](C)C3)c2)CC1 ZINC000476071663 1072989728 /nfs/dbraw/zinc/98/97/28/1072989728.db2.gz KZIVZVRRFXHQNM-IRXDYDNUSA-N 0 0 447.540 -0.029 20 30 IBEDRN N#Cc1cccc(CN2C(=O)CC[C@H]2C(=O)N2CCN(S(=O)(=O)c3nc[nH]n3)CC2)c1 ZINC000476200179 1072997198 /nfs/dbraw/zinc/99/71/98/1072997198.db2.gz KPMZGXAZIMAGNJ-INIZCTEOSA-N 0 0 443.489 -0.300 20 30 IBEDRN N#Cc1cccc(CN2C(=O)CC[C@@H]2C(=O)N2CCN(S(=O)(=O)c3nc[nH]n3)CC2)c1 ZINC000476200187 1072997042 /nfs/dbraw/zinc/99/70/42/1072997042.db2.gz KPMZGXAZIMAGNJ-MRXNPFEDSA-N 0 0 443.489 -0.300 20 30 IBEDRN COc1ccc(C(=O)N2CCN(c3c(C#N)c(=O)n(C)c(=O)n3C)CC2)c(OC)c1OC ZINC000476201715 1072996621 /nfs/dbraw/zinc/99/66/21/1072996621.db2.gz WCWVBQQWULZLCO-UHFFFAOYSA-N 0 0 443.460 -0.056 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)NCCc2csc(N3CCCC3)n2)CC1 ZINC000476355424 1073002783 /nfs/dbraw/zinc/00/27/83/1073002783.db2.gz RUEPZSLAIIVUDC-UHFFFAOYSA-N 0 0 434.566 -0.152 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccc(N3CCCS3(=O)=O)c(F)c2)C1=O ZINC000476468305 1073017736 /nfs/dbraw/zinc/01/77/36/1073017736.db2.gz SDTZAOBCAJNMIY-UHFFFAOYSA-N 0 0 438.437 -0.041 20 30 IBEDRN COCCCS(=O)(=O)NCCN1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000476677417 1073042947 /nfs/dbraw/zinc/04/29/47/1073042947.db2.gz YZOSBUXPXPWCPR-UHFFFAOYSA-N 0 0 430.552 -0.180 20 30 IBEDRN CC(C)[C@H](NS(C)(=O)=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000476708901 1073047115 /nfs/dbraw/zinc/04/71/15/1073047115.db2.gz JXLPEHQINHZLGU-INIZCTEOSA-N 0 0 428.536 -0.035 20 30 IBEDRN CC(C)[C@@H](NS(C)(=O)=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000476708902 1073047130 /nfs/dbraw/zinc/04/71/30/1073047130.db2.gz JXLPEHQINHZLGU-MRXNPFEDSA-N 0 0 428.536 -0.035 20 30 IBEDRN C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N(CCC#N)CCN1CCOCC1 ZINC000476742432 1073050576 /nfs/dbraw/zinc/05/05/76/1073050576.db2.gz GSXPGNNREYATOV-HNNXBMFYSA-N 0 0 437.522 -0.473 20 30 IBEDRN C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N(CCC#N)CCN1CCOCC1 ZINC000476742434 1073050838 /nfs/dbraw/zinc/05/08/38/1073050838.db2.gz GSXPGNNREYATOV-OAHLLOKOSA-N 0 0 437.522 -0.473 20 30 IBEDRN Cc1nn(C)c(N2CCN(C(=O)[C@@](C)(O)CN3C(=O)NC4(CCCC4)C3=O)CC2)c1C#N ZINC000476960493 1073072947 /nfs/dbraw/zinc/07/29/47/1073072947.db2.gz DDVGGRORAYBDPM-FQEVSTJZSA-N 0 0 443.508 -0.136 20 30 IBEDRN Cc1nn(C)c(N2CCN(C(=O)[C@](C)(O)CN3C(=O)NC4(CCCC4)C3=O)CC2)c1C#N ZINC000476960494 1073073128 /nfs/dbraw/zinc/07/31/28/1073073128.db2.gz DDVGGRORAYBDPM-HXUWFJFHSA-N 0 0 443.508 -0.136 20 30 IBEDRN CCOc1cccc(C=c2sc(=C(C#N)C(=O)N3CCS(=O)(=O)CC3)n(C)c2=O)n1 ZINC000476999621 1070955149 /nfs/dbraw/zinc/95/51/49/1070955149.db2.gz HILWDBLVWDJPES-UHFFFAOYSA-N 0 0 448.526 -0.999 20 30 IBEDRN CCOc1cccc(C=c2sc(=C(C#N)C(=O)N3CCN(CC)CC3)n(C)c2=O)n1 ZINC000477000068 1070955254 /nfs/dbraw/zinc/95/52/54/1070955254.db2.gz XEHNXHDJAPNEBP-UHFFFAOYSA-N 0 0 427.530 -0.092 20 30 IBEDRN CCn1c(=O)c(=Cc2ccc(OC)s2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000477015285 1073076948 /nfs/dbraw/zinc/07/69/48/1073076948.db2.gz WKRFSQAZZXPIDO-UHFFFAOYSA-N 0 0 448.570 -0.049 20 30 IBEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)N3CCS(=O)(=O)CC3)n(C)c2=O)s1 ZINC000477027822 1073078252 /nfs/dbraw/zinc/07/82/52/1073078252.db2.gz XCBHEFFUHUUBMP-UHFFFAOYSA-N 0 0 439.540 -0.723 20 30 IBEDRN C=CCNC(=O)CN1CCN(S(=O)(=O)CCNS(=O)(=O)c2ccccc2)CC1 ZINC000477029338 1073078133 /nfs/dbraw/zinc/07/81/33/1073078133.db2.gz IXOMBTDDFMYLSZ-UHFFFAOYSA-N 0 0 430.552 -0.786 20 30 IBEDRN CCOc1cccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C)c2=O)n1 ZINC000477032848 1073078637 /nfs/dbraw/zinc/07/86/37/1073078637.db2.gz SWKRIWDPEWNXPO-UHFFFAOYSA-N 0 0 443.529 -0.808 20 30 IBEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C)c2=O)s1 ZINC000477032916 1073078838 /nfs/dbraw/zinc/07/88/38/1073078838.db2.gz TZNUUPBRHMIAPR-UHFFFAOYSA-N 0 0 434.543 -0.532 20 30 IBEDRN N#CCCN(CCN1CCOCC1)S(=O)(=O)CCNS(=O)(=O)c1ccccc1 ZINC000477036002 1073079052 /nfs/dbraw/zinc/07/90/52/1073079052.db2.gz LZFQVFAOSJRLIV-UHFFFAOYSA-N 0 0 430.552 -0.157 20 30 IBEDRN N#Cc1ccc(N2C(=O)C[C@H](N3CCN(C(=O)C(=O)N4CCOCC4)CC3)C2=O)cc1 ZINC000477071446 1070971256 /nfs/dbraw/zinc/97/12/56/1070971256.db2.gz TUKBHHOQADCIGM-KRWDZBQOSA-N 0 0 425.445 -0.807 20 30 IBEDRN N#Cc1ccc(N2C(=O)C[C@@H](N3CCN(C(=O)C(=O)N4CCOCC4)CC3)C2=O)cc1 ZINC000477071450 1073079643 /nfs/dbraw/zinc/07/96/43/1073079643.db2.gz TUKBHHOQADCIGM-QGZVFWFLSA-N 0 0 425.445 -0.807 20 30 IBEDRN C=CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(NS(C)(=O)=O)cc2F)CC1 ZINC000477172582 1073084560 /nfs/dbraw/zinc/08/45/60/1073084560.db2.gz BITOZPAUZYGMJZ-UHFFFAOYSA-N 0 0 434.515 -0.194 20 30 IBEDRN C=CCNC(=O)CN1CCN(S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000477174556 1073084933 /nfs/dbraw/zinc/08/49/33/1073084933.db2.gz IFHHVBJMADKCEV-UHFFFAOYSA-N 0 0 426.451 -0.026 20 30 IBEDRN Cc1ccc(F)cc1C=c1sc(=C(C#N)C(=O)NCCN2CCOCC2)n(C)c1=O ZINC000477187118 1070989306 /nfs/dbraw/zinc/98/93/06/1070989306.db2.gz MJJKUCLNIBKKJI-UHFFFAOYSA-N 0 0 430.505 -0.154 20 30 IBEDRN Cc1ccc(F)cc1C=c1sc(=C(C#N)C(=O)N2CCS(=O)(=O)CC2)n(C)c1=O ZINC000477191479 1073084720 /nfs/dbraw/zinc/08/47/20/1073084720.db2.gz UMAYKQNAUGHHEG-UHFFFAOYSA-N 0 0 435.502 -0.346 20 30 IBEDRN CC(=O)N1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)[C@@H](C)C1 ZINC000477291056 1073092661 /nfs/dbraw/zinc/09/26/61/1073092661.db2.gz LSRGWFFKLSAODQ-INIZCTEOSA-N 0 0 433.534 -0.056 20 30 IBEDRN CC(=O)N1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)[C@H](C)C1 ZINC000477291057 1070989799 /nfs/dbraw/zinc/98/97/99/1070989799.db2.gz LSRGWFFKLSAODQ-MRXNPFEDSA-N 0 0 433.534 -0.056 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(C)nn2-c2ccc(C)nn2)CC1 ZINC000477318295 1073094019 /nfs/dbraw/zinc/09/40/19/1073094019.db2.gz BEIBASKBIRRDEN-UHFFFAOYSA-N 0 0 426.481 -0.336 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCN(c3cc(OC)cc(OC)c3)C2=O)C1=O ZINC000477361275 1073095337 /nfs/dbraw/zinc/09/53/37/1073095337.db2.gz ZRYNNONUHNALFQ-HNNXBMFYSA-N 0 0 430.417 -0.098 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCN(c3cc(OC)cc(OC)c3)C2=O)C1=O ZINC000477361278 1073095258 /nfs/dbraw/zinc/09/52/58/1073095258.db2.gz ZRYNNONUHNALFQ-OAHLLOKOSA-N 0 0 430.417 -0.098 20 30 IBEDRN C[C@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000477457907 1070995002 /nfs/dbraw/zinc/99/50/02/1070995002.db2.gz QQJOFMHAJFXBON-AWEZNQCLSA-N 0 0 442.567 -0.140 20 30 IBEDRN C[C@@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000477457913 1073099850 /nfs/dbraw/zinc/09/98/50/1073099850.db2.gz QQJOFMHAJFXBON-CQSZACIVSA-N 0 0 442.567 -0.140 20 30 IBEDRN CN1CCN(S(=O)(=O)N2CCN(CCS(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 ZINC000478019098 1071049272 /nfs/dbraw/zinc/04/92/72/1071049272.db2.gz ROSWPKDVCSCSAO-UHFFFAOYSA-N 0 0 441.579 -0.558 20 30 IBEDRN N#Cc1ccc(CS(=O)(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)c(F)c1 ZINC000478170763 1071086480 /nfs/dbraw/zinc/08/64/80/1071086480.db2.gz HHIZIELYQKMIRD-UHFFFAOYSA-N 0 0 432.499 -0.278 20 30 IBEDRN N#CCCN(CCN1CCOCC1)C(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000478234302 1073206969 /nfs/dbraw/zinc/20/69/69/1073206969.db2.gz LNPYCOHBGPTAED-UHFFFAOYSA-N 0 0 449.533 -0.505 20 30 IBEDRN N#CCCN(CCN1CCOCC1)C(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 ZINC000478239913 1073208086 /nfs/dbraw/zinc/20/80/86/1073208086.db2.gz USARWQUHDDABGR-UHFFFAOYSA-N 0 0 425.511 -0.276 20 30 IBEDRN C=CCn1c2nnc(SCC(=O)N3CCN(C(=O)CO)CC3)n2c2ccccc2c1=O ZINC000478370352 1073217808 /nfs/dbraw/zinc/21/78/08/1073217808.db2.gz NBGRQQHMYOJNEP-UHFFFAOYSA-N 0 0 442.501 -0.015 20 30 IBEDRN N#Cc1ccc(S(=O)(=O)CCN2CCN(S(=O)(=O)N3CCOCC3)CC2)cc1 ZINC000478437175 1071089222 /nfs/dbraw/zinc/08/92/22/1071089222.db2.gz HFCFNZUTQMNSHI-UHFFFAOYSA-N 0 0 428.536 -0.473 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(CC(=O)NC3CCC(C)CC3)CC2)C1=O ZINC000478671197 1073235433 /nfs/dbraw/zinc/23/54/33/1073235433.db2.gz SWDAXLMDYNMUEU-UHFFFAOYSA-N 0 0 433.509 -0.198 20 30 IBEDRN N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)NCc3cccc(OCC(N)=O)c3)C2=O)cc1 ZINC000478748122 1073243111 /nfs/dbraw/zinc/24/31/11/1073243111.db2.gz SCOJTZKUUNWVHF-IBGZPJMESA-N 0 0 449.467 -0.044 20 30 IBEDRN N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)NCc3cccc(OCC(N)=O)c3)C2=O)cc1 ZINC000478748123 1073243164 /nfs/dbraw/zinc/24/31/64/1073243164.db2.gz SCOJTZKUUNWVHF-LJQANCHMSA-N 0 0 449.467 -0.044 20 30 IBEDRN Cc1nn(C)c(N2CCN(C(=O)C(=O)NCc3cccc(OCC(N)=O)c3)CC2)c1C#N ZINC000478766084 1071092118 /nfs/dbraw/zinc/09/21/18/1071092118.db2.gz BGGMESQJHIMKPL-UHFFFAOYSA-N 0 0 439.476 -0.571 20 30 IBEDRN CCn1c(=O)c(=Cc2ccnn2C(C)C)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000478841493 1073248697 /nfs/dbraw/zinc/24/86/97/1073248697.db2.gz KXNLVCPXJQYPTJ-UHFFFAOYSA-N 0 0 444.561 -0.341 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C(C)C)c(=O)n1Cc1ccon1 ZINC000478845863 1073249121 /nfs/dbraw/zinc/24/91/21/1073249121.db2.gz PAXMQFRADUWYTI-UHFFFAOYSA-N 0 0 442.501 -0.011 20 30 IBEDRN CCn1c(=O)c(=Cc2ccnn2C(C)C)sc1=C(C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000478854193 1073249631 /nfs/dbraw/zinc/24/96/31/1073249631.db2.gz LADHLKUTQHCQNF-UHFFFAOYSA-N 0 0 449.558 -0.533 20 30 IBEDRN CC(C)n1nccc1C=c1sc(=C(C#N)C(=O)NCCN2CCOCC2)n(C)c1=O ZINC000478859277 1071093563 /nfs/dbraw/zinc/09/35/63/1071093563.db2.gz RMPBYNCSFMAHKO-UHFFFAOYSA-N 0 0 430.534 -0.824 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C(C)C)c(=O)n1C[C@@H]1CCOC1 ZINC000478861488 1071093263 /nfs/dbraw/zinc/09/32/63/1071093263.db2.gz VOPJSSRCZGGWLD-HNNXBMFYSA-N 0 0 445.545 -0.011 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C(C)C)c(=O)n1C[C@H]1CCOC1 ZINC000478861489 1073249097 /nfs/dbraw/zinc/24/90/97/1073249097.db2.gz VOPJSSRCZGGWLD-OAHLLOKOSA-N 0 0 445.545 -0.011 20 30 IBEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2ccnc3c(C(N)=O)cnn32)CC1 ZINC000478974382 1073255956 /nfs/dbraw/zinc/25/59/56/1073255956.db2.gz ABMZQLGBXWKLJI-UHFFFAOYSA-N 0 0 439.457 -0.153 20 30 IBEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CNC(=O)c2ncccc2O)CC1 ZINC000478975862 1073255965 /nfs/dbraw/zinc/25/59/65/1073255965.db2.gz LVXJMSMJJHPAGB-UHFFFAOYSA-N 0 0 429.458 -0.078 20 30 IBEDRN C=CCNS(=O)(=O)c1ccc(C(=O)NCCC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 ZINC000478979798 1073257415 /nfs/dbraw/zinc/25/74/15/1073257415.db2.gz FVMDWVHSWHOTBL-AWEZNQCLSA-N 0 0 429.520 -0.426 20 30 IBEDRN C=CCNS(=O)(=O)c1ccc(C(=O)NCCC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000478979813 1073257478 /nfs/dbraw/zinc/25/74/78/1073257478.db2.gz FVMDWVHSWHOTBL-CQSZACIVSA-N 0 0 429.520 -0.426 20 30 IBEDRN C=CCNc1nnc(S(=O)(=O)CCCn2c(=O)c3c(ncn3C)n(C)c2=O)s1 ZINC000479031112 1073304460 /nfs/dbraw/zinc/30/44/60/1073304460.db2.gz LCYKKYCHKZWNHC-UHFFFAOYSA-N 0 0 425.496 -0.253 20 30 IBEDRN COC(=O)CN(CC#N)S(=O)(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 ZINC000479115880 1073265220 /nfs/dbraw/zinc/26/52/20/1073265220.db2.gz OTTUXXPOXPRIJR-UHFFFAOYSA-N 0 0 431.492 -0.297 20 30 IBEDRN Cc1nc2n(n1)CCN(CC(=O)N1CCN(S(=O)(=O)c3ccccc3C#N)CC1)C2 ZINC000479134359 1073264722 /nfs/dbraw/zinc/26/47/22/1073264722.db2.gz RZTVOTJDNGTCGG-UHFFFAOYSA-N 0 0 429.506 -0.193 20 30 IBEDRN C=CCNS(=O)(=O)c1cccc(C(=O)NCCC(=O)N[C@H]2CCS(=O)(=O)C2)c1 ZINC000479146064 1073266446 /nfs/dbraw/zinc/26/64/46/1073266446.db2.gz OCIPYINMMYGJPE-AWEZNQCLSA-N 0 0 429.520 -0.426 20 30 IBEDRN C=CCNS(=O)(=O)c1cccc(C(=O)NCCC(=O)N[C@@H]2CCS(=O)(=O)C2)c1 ZINC000479146065 1073266340 /nfs/dbraw/zinc/26/63/40/1073266340.db2.gz OCIPYINMMYGJPE-CQSZACIVSA-N 0 0 429.520 -0.426 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)n2)c(=O)n1Cc1ccon1 ZINC000479357883 1071097472 /nfs/dbraw/zinc/09/74/72/1071097472.db2.gz ICNQIZXOMVKQEG-UHFFFAOYSA-N 0 0 441.469 -0.385 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)n2)c(=O)n1C[C@@H]1CCOC1 ZINC000479366731 1071097490 /nfs/dbraw/zinc/09/74/90/1071097490.db2.gz QKBFSXYNJRFOCI-AWEZNQCLSA-N 0 0 444.513 -0.384 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)n2)c(=O)n1C[C@H]1CCOC1 ZINC000479366735 1073275281 /nfs/dbraw/zinc/27/52/81/1073275281.db2.gz QKBFSXYNJRFOCI-CQSZACIVSA-N 0 0 444.513 -0.384 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)n2)c(=O)n1CCSC ZINC000479368964 1073275425 /nfs/dbraw/zinc/27/54/25/1073275425.db2.gz YFDSSWDXNFLSHJ-UHFFFAOYSA-N 0 0 434.543 -0.058 20 30 IBEDRN CCn1c(=O)c(=Cc2cccc(OC)n2)sc1=C(C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000479387243 1071098019 /nfs/dbraw/zinc/09/80/19/1071098019.db2.gz VTIMAIFPXPCFAK-UHFFFAOYSA-N 0 0 448.526 -0.907 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)n2)c(=O)n1C[C@@H]1CCCO1 ZINC000479389808 1071098039 /nfs/dbraw/zinc/09/80/39/1071098039.db2.gz FQSIPYPMYJSEQC-HNNXBMFYSA-N 0 0 444.513 -0.242 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)n2)c(=O)n1C[C@H]1CCCO1 ZINC000479389811 1071098115 /nfs/dbraw/zinc/09/81/15/1071098115.db2.gz FQSIPYPMYJSEQC-OAHLLOKOSA-N 0 0 444.513 -0.242 20 30 IBEDRN Cn1c(=O)c(=Cc2ccsc2Cl)sc1=C(C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000479392291 1071097253 /nfs/dbraw/zinc/09/72/53/1071097253.db2.gz CXGDKDBLKXSTEZ-UHFFFAOYSA-N 0 0 443.959 -0.078 20 30 IBEDRN CCn1c(=O)c(=Cc2cccc(OC)n2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000479396898 1073276762 /nfs/dbraw/zinc/27/67/62/1073276762.db2.gz JWBNSPOVEPODKJ-UHFFFAOYSA-N 0 0 443.529 -0.715 20 30 IBEDRN N#Cc1c[nH]c(C(=O)NCCS(=O)(=O)N2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)c1 ZINC000479563973 1073282598 /nfs/dbraw/zinc/28/25/98/1073282598.db2.gz FTHOMNLXGLJJMX-UHFFFAOYSA-N 0 0 429.462 -0.396 20 30 IBEDRN N#Cc1cccnc1N1CCN(C(=O)C(=O)NC[C@@]2(N3CCOCC3)CCSC2)CC1 ZINC000479816662 1073294199 /nfs/dbraw/zinc/29/41/99/1073294199.db2.gz YQHFFVURLIARNH-NRFANRHFSA-N 0 0 444.561 -0.074 20 30 IBEDRN N#Cc1cccnc1N1CCN(C(=O)C(=O)NC[C@]2(N3CCOCC3)CCSC2)CC1 ZINC000479816664 1071114438 /nfs/dbraw/zinc/11/44/38/1071114438.db2.gz YQHFFVURLIARNH-OAQYLSRUSA-N 0 0 444.561 -0.074 20 30 IBEDRN N#Cc1ccnc(N2CCN(C(=O)C(=O)NC[C@@]3(N4CCOCC4)CCSC3)CC2)c1 ZINC000479879822 1071114527 /nfs/dbraw/zinc/11/45/27/1071114527.db2.gz BZEDCAXAHIGCGA-NRFANRHFSA-N 0 0 444.561 -0.074 20 30 IBEDRN N#Cc1ccnc(N2CCN(C(=O)C(=O)NC[C@]3(N4CCOCC4)CCSC3)CC2)c1 ZINC000479879825 1071114378 /nfs/dbraw/zinc/11/43/78/1071114378.db2.gz BZEDCAXAHIGCGA-OAQYLSRUSA-N 0 0 444.561 -0.074 20 30 IBEDRN N#Cc1ccc(N2CCN(C(=O)C(=O)NC[C@@]3(N4CCOCC4)CCSC3)CC2)nc1 ZINC000479894446 1073299784 /nfs/dbraw/zinc/29/97/84/1073299784.db2.gz LFVUMKUUDHGVCI-NRFANRHFSA-N 0 0 444.561 -0.074 20 30 IBEDRN N#Cc1ccc(N2CCN(C(=O)C(=O)NC[C@]3(N4CCOCC4)CCSC3)CC2)nc1 ZINC000479894447 1073299652 /nfs/dbraw/zinc/29/96/52/1073299652.db2.gz LFVUMKUUDHGVCI-OAQYLSRUSA-N 0 0 444.561 -0.074 20 30 IBEDRN COCCNC(=O)CN1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000479898186 1071114517 /nfs/dbraw/zinc/11/45/17/1071114517.db2.gz GARQLSSIFHYBFO-HNNXBMFYSA-N 0 0 437.522 -0.868 20 30 IBEDRN COCCNC(=O)CN1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000479898191 1073299749 /nfs/dbraw/zinc/29/97/49/1073299749.db2.gz GARQLSSIFHYBFO-OAHLLOKOSA-N 0 0 437.522 -0.868 20 30 IBEDRN N#CCCCS(=O)(=O)c1ccc(C(=O)N2CCN(CCS(N)(=O)=O)CC2)cc1 ZINC000479904040 1073298238 /nfs/dbraw/zinc/29/82/38/1073298238.db2.gz PBTYTXOBBDTRSW-UHFFFAOYSA-N 0 0 428.536 -0.190 20 30 IBEDRN CC(C)NC(=O)C(=O)N1CCN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000479908565 1073301144 /nfs/dbraw/zinc/30/11/44/1073301144.db2.gz BFPOALQVYKQOPA-AWEZNQCLSA-N 0 0 435.506 -0.580 20 30 IBEDRN CC(C)NC(=O)C(=O)N1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000479908566 1071114508 /nfs/dbraw/zinc/11/45/08/1071114508.db2.gz BFPOALQVYKQOPA-CQSZACIVSA-N 0 0 435.506 -0.580 20 30 IBEDRN CC(C)NC(=O)C(=O)N1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000479909360 1071114468 /nfs/dbraw/zinc/11/44/68/1071114468.db2.gz IYQZEEIHWHXWID-AWEZNQCLSA-N 0 0 435.506 -0.580 20 30 IBEDRN CC(C)NC(=O)C(=O)N1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000479909361 1073301021 /nfs/dbraw/zinc/30/10/21/1073301021.db2.gz IYQZEEIHWHXWID-CQSZACIVSA-N 0 0 435.506 -0.580 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)CCC(=O)N2CCN(c3ccccn3)CC2)CC1 ZINC000479912379 1073301432 /nfs/dbraw/zinc/30/14/32/1073301432.db2.gz KDOGVJOGYRTXNH-UHFFFAOYSA-N 0 0 428.537 -0.043 20 30 IBEDRN COCCNC(=O)CN1CCN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000479914209 1073301451 /nfs/dbraw/zinc/30/14/51/1073301451.db2.gz SZRSJQZWZSHQJQ-HNNXBMFYSA-N 0 0 437.522 -0.868 20 30 IBEDRN COCCNC(=O)CN1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000479914210 1073301534 /nfs/dbraw/zinc/30/15/34/1073301534.db2.gz SZRSJQZWZSHQJQ-OAHLLOKOSA-N 0 0 437.522 -0.868 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)CCC(=O)N2CCN(c3ncccn3)CC2)CC1 ZINC000479921683 1073300216 /nfs/dbraw/zinc/30/02/16/1073300216.db2.gz FPBQHXPBSRZMKR-UHFFFAOYSA-N 0 0 429.525 -0.648 20 30 IBEDRN C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000479923935 1073300591 /nfs/dbraw/zinc/30/05/91/1073300591.db2.gz ADHQZVXYPVBIPG-INIZCTEOSA-N 0 0 449.533 -0.772 20 30 IBEDRN C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000479923942 1073300621 /nfs/dbraw/zinc/30/06/21/1073300621.db2.gz ADHQZVXYPVBIPG-MRXNPFEDSA-N 0 0 449.533 -0.772 20 30 IBEDRN C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000479926920 1073302003 /nfs/dbraw/zinc/30/20/03/1073302003.db2.gz GYYJWPDPJYTHML-INIZCTEOSA-N 0 0 449.533 -0.772 20 30 IBEDRN C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000479926923 1073301996 /nfs/dbraw/zinc/30/19/96/1073301996.db2.gz GYYJWPDPJYTHML-MRXNPFEDSA-N 0 0 449.533 -0.772 20 30 IBEDRN C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000479932377 1073302493 /nfs/dbraw/zinc/30/24/93/1073302493.db2.gz QLTFYEYFGAMUSU-GDBMZVCRSA-N 0 0 440.547 -0.444 20 30 IBEDRN C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000479932380 1071114550 /nfs/dbraw/zinc/11/45/50/1071114550.db2.gz QLTFYEYFGAMUSU-GOEBONIOSA-N 0 0 440.547 -0.444 20 30 IBEDRN C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000479932383 1071114343 /nfs/dbraw/zinc/11/43/43/1071114343.db2.gz QLTFYEYFGAMUSU-HOCLYGCPSA-N 0 0 440.547 -0.444 20 30 IBEDRN C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000479932386 1073302437 /nfs/dbraw/zinc/30/24/37/1073302437.db2.gz QLTFYEYFGAMUSU-ZBFHGGJFSA-N 0 0 440.547 -0.444 20 30 IBEDRN C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(CC(=O)N2CCCC2)CC1 ZINC000479957339 1071115422 /nfs/dbraw/zinc/11/54/22/1071115422.db2.gz AIDMGYBMMUAMGF-INIZCTEOSA-N 0 0 433.534 -0.008 20 30 IBEDRN C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(CC(=O)N2CCCC2)CC1 ZINC000479957352 1073303891 /nfs/dbraw/zinc/30/38/91/1073303891.db2.gz AIDMGYBMMUAMGF-MRXNPFEDSA-N 0 0 433.534 -0.008 20 30 IBEDRN C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000479958104 1073303752 /nfs/dbraw/zinc/30/37/52/1073303752.db2.gz CZKFOEXGRXUADE-GDBMZVCRSA-N 0 0 440.547 -0.444 20 30 IBEDRN C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000479958106 1071115594 /nfs/dbraw/zinc/11/55/94/1071115594.db2.gz CZKFOEXGRXUADE-GOEBONIOSA-N 0 0 440.547 -0.444 20 30 IBEDRN C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000479958108 1073303768 /nfs/dbraw/zinc/30/37/68/1073303768.db2.gz CZKFOEXGRXUADE-HOCLYGCPSA-N 0 0 440.547 -0.444 20 30 IBEDRN C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000479958110 1073303896 /nfs/dbraw/zinc/30/38/96/1073303896.db2.gz CZKFOEXGRXUADE-ZBFHGGJFSA-N 0 0 440.547 -0.444 20 30 IBEDRN N#Cc1cccc(N2CCN(C(=O)C(=O)NC[C@@]3(N4CCOCC4)CCSC3)CC2)n1 ZINC000479963117 1073306072 /nfs/dbraw/zinc/30/60/72/1073306072.db2.gz HRTGVEPOHCFVMP-NRFANRHFSA-N 0 0 444.561 -0.074 20 30 IBEDRN N#Cc1cccc(N2CCN(C(=O)C(=O)NC[C@]3(N4CCOCC4)CCSC3)CC2)n1 ZINC000479963119 1073306085 /nfs/dbraw/zinc/30/60/85/1073306085.db2.gz HRTGVEPOHCFVMP-OAQYLSRUSA-N 0 0 444.561 -0.074 20 30 IBEDRN C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@H](C)CN2CCN(c3ccccn3)CC2)C1=O ZINC000479967265 1073306002 /nfs/dbraw/zinc/30/60/02/1073306002.db2.gz OMQQBPSFORKOMA-MSOLQXFVSA-N 0 0 428.537 -0.046 20 30 IBEDRN C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@H](C)CN2CCN(c3ccccn3)CC2)C1=O ZINC000479967271 1073306101 /nfs/dbraw/zinc/30/61/01/1073306101.db2.gz OMQQBPSFORKOMA-QZTJIDSGSA-N 0 0 428.537 -0.046 20 30 IBEDRN C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@@H](C)CN2CCN(c3ccccn3)CC2)C1=O ZINC000479967273 1073306645 /nfs/dbraw/zinc/30/66/45/1073306645.db2.gz OMQQBPSFORKOMA-ROUUACIJSA-N 0 0 428.537 -0.046 20 30 IBEDRN C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@@H](C)CN2CCN(c3ccccn3)CC2)C1=O ZINC000479967275 1073306483 /nfs/dbraw/zinc/30/64/83/1073306483.db2.gz OMQQBPSFORKOMA-ZWKOTPCHSA-N 0 0 428.537 -0.046 20 30 IBEDRN C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(CC(=O)N2CCCC2)CC1 ZINC000479970445 1071115612 /nfs/dbraw/zinc/11/56/12/1071115612.db2.gz VYYMGZYCQQQRMW-INIZCTEOSA-N 0 0 433.534 -0.008 20 30 IBEDRN C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(CC(=O)N2CCCC2)CC1 ZINC000479970448 1073306722 /nfs/dbraw/zinc/30/67/22/1073306722.db2.gz VYYMGZYCQQQRMW-MRXNPFEDSA-N 0 0 433.534 -0.008 20 30 IBEDRN Cn1c(=O)c(=Cc2cccc([N+](=O)[O-])c2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000480124627 1073316750 /nfs/dbraw/zinc/31/67/50/1073316750.db2.gz HEVGGIIARDWYAZ-UHFFFAOYSA-N 0 0 443.485 -0.694 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cc(OC)c(OC)c(OC)c2)c(=O)n1C ZINC000480128632 1073317109 /nfs/dbraw/zinc/31/71/09/1073317109.db2.gz VCAGOSZEVWVSOP-UHFFFAOYSA-N 0 0 433.486 -0.262 20 30 IBEDRN COc1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C)c2=O)cc(OC)c1OC ZINC000480148813 1073317575 /nfs/dbraw/zinc/31/75/75/1073317575.db2.gz BFHIEXVHTRZRBR-UHFFFAOYSA-N 0 0 445.497 -0.166 20 30 IBEDRN Cn1c(=O)c(=Cc2ccc([N+](=O)[O-])cc2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000480211332 1073321679 /nfs/dbraw/zinc/32/16/79/1073321679.db2.gz FNTYVDRNICJNPH-UHFFFAOYSA-N 0 0 443.485 -0.694 20 30 IBEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C)c2=O)cc1 ZINC000480253049 1073323195 /nfs/dbraw/zinc/32/31/95/1073323195.db2.gz NBBVUKHSCNIOKH-UHFFFAOYSA-N 0 0 428.514 -0.593 20 30 IBEDRN Cn1c(=O)c(=Cc2ccccc2[N+](=O)[O-])sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000480255647 1073323199 /nfs/dbraw/zinc/32/31/99/1073323199.db2.gz QMZYYDKWSBWATO-UHFFFAOYSA-N 0 0 443.485 -0.694 20 30 IBEDRN CCn1c(=O)c(=Cc2ccc(OC)cc2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000480260822 1073325076 /nfs/dbraw/zinc/32/50/76/1073325076.db2.gz VZPKIQFXJXZYDS-UHFFFAOYSA-N 0 0 442.541 -0.110 20 30 IBEDRN CCOC(=O)C=c1sc(=Cc2cc(C#N)cs2)c(=O)n1CC(=O)N1CCOCC1 ZINC000480325737 1073326447 /nfs/dbraw/zinc/32/64/47/1073326447.db2.gz LYFKGRMPIGIGJM-UHFFFAOYSA-N 0 0 433.511 -0.126 20 30 IBEDRN Cc1nn(C)c(N2CCN(S(=O)(=O)CC3CCN(S(C)(=O)=O)CC3)CC2)c1C#N ZINC000480341997 1073326203 /nfs/dbraw/zinc/32/62/03/1073326203.db2.gz KTTBNPUCLPSDJH-UHFFFAOYSA-N 0 0 444.583 -0.276 20 30 IBEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCN(C(=O)Cn3cnnn3)CC2)cc1 ZINC000480358660 1073326883 /nfs/dbraw/zinc/32/68/83/1073326883.db2.gz CEBAZOBPIYBMKJ-UHFFFAOYSA-N 0 0 448.509 -0.144 20 30 IBEDRN C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000480448649 1073330050 /nfs/dbraw/zinc/33/00/50/1073330050.db2.gz YLKOOMGHOQNMSW-LLVKDONJSA-N 0 0 442.457 -0.191 20 30 IBEDRN C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000480448650 1073330022 /nfs/dbraw/zinc/33/00/22/1073330022.db2.gz YLKOOMGHOQNMSW-NSHDSACASA-N 0 0 442.457 -0.191 20 30 IBEDRN C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000480451420 1071227493 /nfs/dbraw/zinc/22/74/93/1071227493.db2.gz DXDYQEYIARPVCV-LLVKDONJSA-N 0 0 442.457 -0.191 20 30 IBEDRN C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000480451421 1073328814 /nfs/dbraw/zinc/32/88/14/1073328814.db2.gz DXDYQEYIARPVCV-NSHDSACASA-N 0 0 442.457 -0.191 20 30 IBEDRN C=CCN(CCOC)C(=O)C(=O)NCc1ccccc1S(=O)(=O)N1CCN(C)CC1 ZINC000480462458 1073331739 /nfs/dbraw/zinc/33/17/39/1073331739.db2.gz SBOCANXGGUKCMQ-UHFFFAOYSA-N 0 0 438.550 -0.100 20 30 IBEDRN C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000480465075 1073330956 /nfs/dbraw/zinc/33/09/56/1073330956.db2.gz BUXCTFFSAOYBSR-INIZCTEOSA-N 0 0 449.533 -0.772 20 30 IBEDRN C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000480465077 1073331026 /nfs/dbraw/zinc/33/10/26/1073331026.db2.gz BUXCTFFSAOYBSR-MRXNPFEDSA-N 0 0 449.533 -0.772 20 30 IBEDRN C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000480470532 1073330887 /nfs/dbraw/zinc/33/08/87/1073330887.db2.gz MWFPNDYKDDOKLA-INIZCTEOSA-N 0 0 449.533 -0.772 20 30 IBEDRN C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000480470534 1073330973 /nfs/dbraw/zinc/33/09/73/1073330973.db2.gz MWFPNDYKDDOKLA-MRXNPFEDSA-N 0 0 449.533 -0.772 20 30 IBEDRN C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000480474007 1073333398 /nfs/dbraw/zinc/33/33/98/1073333398.db2.gz KUQVYBSYZVFZSX-HNNXBMFYSA-N 0 0 447.517 -0.482 20 30 IBEDRN C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000480474008 1073333431 /nfs/dbraw/zinc/33/34/31/1073333431.db2.gz KUQVYBSYZVFZSX-OAHLLOKOSA-N 0 0 447.517 -0.482 20 30 IBEDRN C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000480481357 1073332181 /nfs/dbraw/zinc/33/21/81/1073332181.db2.gz ZBVVYOZUGZDPAY-HNNXBMFYSA-N 0 0 447.517 -0.482 20 30 IBEDRN C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000480481358 1071227717 /nfs/dbraw/zinc/22/77/17/1071227717.db2.gz ZBVVYOZUGZDPAY-OAHLLOKOSA-N 0 0 447.517 -0.482 20 30 IBEDRN C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000480483509 1073333113 /nfs/dbraw/zinc/33/31/13/1073333113.db2.gz VXIXZIXJTOQMSW-GXTWGEPZSA-N 0 0 429.524 -0.743 20 30 IBEDRN C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000480483510 1073332526 /nfs/dbraw/zinc/33/25/26/1073332526.db2.gz VXIXZIXJTOQMSW-JSGCOSHPSA-N 0 0 429.524 -0.743 20 30 IBEDRN C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000480483511 1073332536 /nfs/dbraw/zinc/33/25/36/1073332536.db2.gz VXIXZIXJTOQMSW-OCCSQVGLSA-N 0 0 429.524 -0.743 20 30 IBEDRN C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000480483512 1073332606 /nfs/dbraw/zinc/33/26/06/1073332606.db2.gz VXIXZIXJTOQMSW-TZMCWYRMSA-N 0 0 429.524 -0.743 20 30 IBEDRN C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000480483895 1073332540 /nfs/dbraw/zinc/33/25/40/1073332540.db2.gz YVOPZWKFUMKEFL-GXTWGEPZSA-N 0 0 429.524 -0.743 20 30 IBEDRN C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000480483896 1073332575 /nfs/dbraw/zinc/33/25/75/1073332575.db2.gz YVOPZWKFUMKEFL-JSGCOSHPSA-N 0 0 429.524 -0.743 20 30 IBEDRN C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000480483897 1073332569 /nfs/dbraw/zinc/33/25/69/1073332569.db2.gz YVOPZWKFUMKEFL-OCCSQVGLSA-N 0 0 429.524 -0.743 20 30 IBEDRN C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000480483898 1073332610 /nfs/dbraw/zinc/33/26/10/1073332610.db2.gz YVOPZWKFUMKEFL-TZMCWYRMSA-N 0 0 429.524 -0.743 20 30 IBEDRN C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000480484643 1073333102 /nfs/dbraw/zinc/33/31/02/1073333102.db2.gz WCWQYQVBFCLXIQ-CYBMUJFWSA-N 0 0 433.490 -0.826 20 30 IBEDRN C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000480484644 1073333010 /nfs/dbraw/zinc/33/30/10/1073333010.db2.gz WCWQYQVBFCLXIQ-ZDUSSCGKSA-N 0 0 433.490 -0.826 20 30 IBEDRN C=CCCOCCNC(=O)C(=O)NCc1ccccc1S(=O)(=O)N1CCN(C)CC1 ZINC000480484722 1073332858 /nfs/dbraw/zinc/33/28/58/1073332858.db2.gz QOKCTIMGCSYTPG-UHFFFAOYSA-N 0 0 438.550 -0.052 20 30 IBEDRN C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000480485438 1073332512 /nfs/dbraw/zinc/33/25/12/1073332512.db2.gz CNQDGGAWSAFJOA-CYBMUJFWSA-N 0 0 433.490 -0.826 20 30 IBEDRN C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000480485440 1073332597 /nfs/dbraw/zinc/33/25/97/1073332597.db2.gz CNQDGGAWSAFJOA-ZDUSSCGKSA-N 0 0 433.490 -0.826 20 30 IBEDRN C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCN1CCN(c2ncccn2)CC1 ZINC000480505189 1073336602 /nfs/dbraw/zinc/33/66/02/1073336602.db2.gz LDTWRYTYVJLSJY-INIZCTEOSA-N 0 0 443.533 -0.047 20 30 IBEDRN C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCN1CCN(c2ncccn2)CC1 ZINC000480505190 1073336646 /nfs/dbraw/zinc/33/66/46/1073336646.db2.gz LDTWRYTYVJLSJY-MRXNPFEDSA-N 0 0 443.533 -0.047 20 30 IBEDRN C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCN1CCN(c2ncccn2)CC1 ZINC000480506903 1073336737 /nfs/dbraw/zinc/33/67/37/1073336737.db2.gz YWLXSMTXFZOZQX-INIZCTEOSA-N 0 0 443.533 -0.047 20 30 IBEDRN C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCN1CCN(c2ncccn2)CC1 ZINC000480506905 1073336718 /nfs/dbraw/zinc/33/67/18/1073336718.db2.gz YWLXSMTXFZOZQX-MRXNPFEDSA-N 0 0 443.533 -0.047 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccccc3)C2=O)CC1 ZINC000480514579 1073338694 /nfs/dbraw/zinc/33/86/94/1073338694.db2.gz QIBUDHGAGMTZGM-GOSISDBHSA-N 0 0 427.505 -0.255 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H]2CCCN(c3ccccc3)C2=O)CC1 ZINC000480514582 1073338806 /nfs/dbraw/zinc/33/88/06/1073338806.db2.gz QIBUDHGAGMTZGM-SFHVURJKSA-N 0 0 427.505 -0.255 20 30 IBEDRN Cn1c(SCCCCSc2c(C#N)c(=O)n(C)c(=O)n2C)c(C#N)c(=O)n(C)c1=O ZINC000480516377 1073338816 /nfs/dbraw/zinc/33/88/16/1073338816.db2.gz SNGAROKDOONANW-UHFFFAOYSA-N 0 0 448.530 -0.111 20 30 IBEDRN C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000480801337 1073350058 /nfs/dbraw/zinc/35/00/58/1073350058.db2.gz DFHINASYNCULJV-GXTWGEPZSA-N 0 0 442.519 -0.965 20 30 IBEDRN C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000480801339 1073349920 /nfs/dbraw/zinc/34/99/20/1073349920.db2.gz DFHINASYNCULJV-JSGCOSHPSA-N 0 0 442.519 -0.965 20 30 IBEDRN C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000480801341 1073349849 /nfs/dbraw/zinc/34/98/49/1073349849.db2.gz DFHINASYNCULJV-OCCSQVGLSA-N 0 0 442.519 -0.965 20 30 IBEDRN C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000480801343 1073350115 /nfs/dbraw/zinc/35/01/15/1073350115.db2.gz DFHINASYNCULJV-TZMCWYRMSA-N 0 0 442.519 -0.965 20 30 IBEDRN C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000480804936 1073350470 /nfs/dbraw/zinc/35/04/70/1073350470.db2.gz PASPBUCIOQTCMU-GXTWGEPZSA-N 0 0 442.519 -0.965 20 30 IBEDRN C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000480804937 1073350267 /nfs/dbraw/zinc/35/02/67/1073350267.db2.gz PASPBUCIOQTCMU-JSGCOSHPSA-N 0 0 442.519 -0.965 20 30 IBEDRN C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000480804939 1073350409 /nfs/dbraw/zinc/35/04/09/1073350409.db2.gz PASPBUCIOQTCMU-OCCSQVGLSA-N 0 0 442.519 -0.965 20 30 IBEDRN C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000480804942 1073350367 /nfs/dbraw/zinc/35/03/67/1073350367.db2.gz PASPBUCIOQTCMU-TZMCWYRMSA-N 0 0 442.519 -0.965 20 30 IBEDRN N#Cc1ncn(CC(=O)N(Cc2ccccc2)[C@H]2CCN(C(=O)Cn3cnc(C#N)n3)C2)n1 ZINC000480819796 1071341172 /nfs/dbraw/zinc/34/11/72/1071341172.db2.gz ADFHGAYJVKSVTF-KRWDZBQOSA-N 0 0 444.459 -0.057 20 30 IBEDRN N#Cc1ncn(CC(=O)N(Cc2ccccc2)[C@@H]2CCN(C(=O)Cn3cnc(C#N)n3)C2)n1 ZINC000480819799 1073350787 /nfs/dbraw/zinc/35/07/87/1073350787.db2.gz ADFHGAYJVKSVTF-QGZVFWFLSA-N 0 0 444.459 -0.057 20 30 IBEDRN N#Cc1cc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)ccc1F ZINC000480925482 1073355737 /nfs/dbraw/zinc/35/57/37/1073355737.db2.gz CIUNROCANKQJLF-UHFFFAOYSA-N 0 0 449.420 -0.139 20 30 IBEDRN COc1ccsc1C=c1sc(=C(C#N)C(=O)NCCN2CCOCC2)n(C)c1=O ZINC000480927680 1071345253 /nfs/dbraw/zinc/34/52/53/1071345253.db2.gz KWJVWGNIQJPPNE-UHFFFAOYSA-N 0 0 434.543 -0.532 20 30 IBEDRN COc1ccsc1C=c1sc(=C(C#N)C(=O)N2CCS(=O)(=O)CC2)n(C)c1=O ZINC000480929714 1071345281 /nfs/dbraw/zinc/34/52/81/1071345281.db2.gz NYCGFUKARHUSMM-UHFFFAOYSA-N 0 0 439.540 -0.723 20 30 IBEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1Cc1ccon1 ZINC000480935277 1073355679 /nfs/dbraw/zinc/35/56/79/1073355679.db2.gz LZNFSBUBNNHDKK-UHFFFAOYSA-N 0 0 437.437 -0.227 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cn2)c(=O)n1Cc1ccon1 ZINC000480936785 1073355378 /nfs/dbraw/zinc/35/53/78/1073355378.db2.gz PGDDCMYNNHVSQN-UHFFFAOYSA-N 0 0 425.470 -0.085 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2csc(C)n2)c(=O)n1Cc1ccon1 ZINC000480937750 1073356217 /nfs/dbraw/zinc/35/62/17/1073356217.db2.gz UWUQDZPUKBETKS-UHFFFAOYSA-N 0 0 431.499 -0.023 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1Cc1ccon1 ZINC000480939657 1071345343 /nfs/dbraw/zinc/34/53/43/1071345343.db2.gz SYSXGLSOUYHTRA-UHFFFAOYSA-N 0 0 425.426 -0.324 20 30 IBEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccncc2)c(=O)n1Cc1ccon1 ZINC000480946674 1073356243 /nfs/dbraw/zinc/35/62/43/1073356243.db2.gz DDRMKYOGANMHGV-UHFFFAOYSA-N 0 0 425.470 -0.003 20 30 IBEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1Cc1ccon1 ZINC000480948917 1073356141 /nfs/dbraw/zinc/35/61/41/1073356141.db2.gz CHTBDOZFSMXOCQ-UHFFFAOYSA-N 0 0 442.501 -0.275 20 30 IBEDRN CCn1c(=O)c(=Cc2sccc2OC)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000480950799 1071345179 /nfs/dbraw/zinc/34/51/79/1071345179.db2.gz LVFWQHHFNCKLAH-UHFFFAOYSA-N 0 0 448.570 -0.049 20 30 IBEDRN Cn1nccc1C=c1sc(=C(C#N)C(=O)N2CCSCC2)n(Cc2ccon2)c1=O ZINC000480951687 1073356114 /nfs/dbraw/zinc/35/61/14/1073356114.db2.gz JMOWCNPOCNSNBO-UHFFFAOYSA-N 0 0 442.526 -0.242 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(COC)o2)c(=O)n1Cc1ccon1 ZINC000480956259 1073356928 /nfs/dbraw/zinc/35/69/28/1073356928.db2.gz GTQIANBNRFBIMI-UHFFFAOYSA-N 0 0 444.469 -0.049 20 30 IBEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1Cc1ccon1 ZINC000480963717 1073356500 /nfs/dbraw/zinc/35/65/00/1073356500.db2.gz WXMYGAYQVUSIDZ-UHFFFAOYSA-N 0 0 425.470 -0.003 20 30 IBEDRN COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1Cc1ccon1 ZINC000480968574 1073356520 /nfs/dbraw/zinc/35/65/20/1073356520.db2.gz XVUNSTYWVMEOAA-CYBMUJFWSA-N 0 0 425.470 -0.005 20 30 IBEDRN COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1Cc1ccon1 ZINC000480968575 1073356781 /nfs/dbraw/zinc/35/67/81/1073356781.db2.gz XVUNSTYWVMEOAA-ZDUSSCGKSA-N 0 0 425.470 -0.005 20 30 IBEDRN Cc1ccc(S(=O)(=O)N2CCN(CC#N)CC2)cc1S(=O)(=O)N1CCOCC1 ZINC000481016356 1073357505 /nfs/dbraw/zinc/35/75/05/1073357505.db2.gz SZFSUDJCOCFUGH-UHFFFAOYSA-N 0 0 428.536 -0.154 20 30 IBEDRN CN1CCN(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3ccc(F)c(C#N)c3)CC2)CC1 ZINC000481078972 1073358582 /nfs/dbraw/zinc/35/85/82/1073358582.db2.gz NUIDEYQQPOAURM-UHFFFAOYSA-N 0 0 438.485 -0.728 20 30 IBEDRN N#Cc1cc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)ccc1F ZINC000481079569 1071346376 /nfs/dbraw/zinc/34/63/76/1071346376.db2.gz JKFDWWJWEYXDMC-UHFFFAOYSA-N 0 0 425.442 -0.643 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccccc2OCC(=O)N2CCOCC2)C1=O ZINC000481187967 1073362686 /nfs/dbraw/zinc/36/26/86/1073362686.db2.gz HPCPRJBDDYWKOR-UHFFFAOYSA-N 0 0 430.417 -0.161 20 30 IBEDRN N#CCCN(CCN1CCOCC1)C(=O)CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000481212473 1073362990 /nfs/dbraw/zinc/36/29/90/1073362990.db2.gz XNEUWKWQFVEUAY-UHFFFAOYSA-N 0 0 429.525 -0.020 20 30 IBEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCc3n[nH]c(=O)cc3C2)CC1 ZINC000481313191 1073366754 /nfs/dbraw/zinc/36/67/54/1073366754.db2.gz JQBAHXCRGQTOEH-UHFFFAOYSA-N 0 0 442.501 -0.055 20 30 IBEDRN COCCN(C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000481426311 1073370158 /nfs/dbraw/zinc/37/01/58/1073370158.db2.gz RCRMXAZQOKXUPX-DZGCQCFKSA-N 0 0 429.520 -0.113 20 30 IBEDRN COCCN(C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)[C@H]1CCS(=O)(=O)C1 ZINC000481426313 1073370122 /nfs/dbraw/zinc/37/01/22/1073370122.db2.gz RCRMXAZQOKXUPX-HIFRSBDPSA-N 0 0 429.520 -0.113 20 30 IBEDRN COCCN(C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000481426315 1073370116 /nfs/dbraw/zinc/37/01/16/1073370116.db2.gz RCRMXAZQOKXUPX-UKRRQHHQSA-N 0 0 429.520 -0.113 20 30 IBEDRN COCCN(C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)[C@H]1CCS(=O)(=O)C1 ZINC000481426318 1073369933 /nfs/dbraw/zinc/36/99/33/1073369933.db2.gz RCRMXAZQOKXUPX-ZFWWWQNUSA-N 0 0 429.520 -0.113 20 30 IBEDRN COCCN(C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000481428522 1073369537 /nfs/dbraw/zinc/36/95/37/1073369537.db2.gz VIVYCXVVUHGECC-DZGCQCFKSA-N 0 0 429.520 -0.113 20 30 IBEDRN COCCN(C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000481428523 1073369714 /nfs/dbraw/zinc/36/97/14/1073369714.db2.gz VIVYCXVVUHGECC-HIFRSBDPSA-N 0 0 429.520 -0.113 20 30 IBEDRN COCCN(C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000481428525 1073369663 /nfs/dbraw/zinc/36/96/63/1073369663.db2.gz VIVYCXVVUHGECC-UKRRQHHQSA-N 0 0 429.520 -0.113 20 30 IBEDRN COCCN(C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000481428526 1073369510 /nfs/dbraw/zinc/36/95/10/1073369510.db2.gz VIVYCXVVUHGECC-ZFWWWQNUSA-N 0 0 429.520 -0.113 20 30 IBEDRN C=CCOC[C@@H](NS(=O)(=O)c1ccc(OC)c([C@]2(C)NC(=O)NC2=O)c1)C(=O)OC ZINC000481586896 1073379912 /nfs/dbraw/zinc/37/99/12/1073379912.db2.gz JOKVHQCLMWXOOY-ACJLOTCBSA-N 0 0 441.462 -0.228 20 30 IBEDRN C=CCOC[C@@H](NS(=O)(=O)c1ccc(OC)c([C@@]2(C)NC(=O)NC2=O)c1)C(=O)OC ZINC000481586897 1073379873 /nfs/dbraw/zinc/37/98/73/1073379873.db2.gz JOKVHQCLMWXOOY-FZKQIMNGSA-N 0 0 441.462 -0.228 20 30 IBEDRN C=CCOC[C@H](NS(=O)(=O)c1ccc(OC)c([C@@]2(C)NC(=O)NC2=O)c1)C(=O)OC ZINC000481586899 1073379858 /nfs/dbraw/zinc/37/98/58/1073379858.db2.gz JOKVHQCLMWXOOY-SCLBCKFNSA-N 0 0 441.462 -0.228 20 30 IBEDRN C=CCOC[C@H](NS(=O)(=O)c1ccc(OC)c([C@]2(C)NC(=O)NC2=O)c1)C(=O)OC ZINC000481586900 1073379879 /nfs/dbraw/zinc/37/98/79/1073379879.db2.gz JOKVHQCLMWXOOY-UGSOOPFHSA-N 0 0 441.462 -0.228 20 30 IBEDRN C=CCOC[C@H](NS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)C(=O)OC ZINC000481612024 1073381366 /nfs/dbraw/zinc/38/13/66/1073381366.db2.gz RKFIJFKPGUGAAL-INIZCTEOSA-N 0 0 448.519 -0.270 20 30 IBEDRN C=CCOC[C@@H](NS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)C(=O)OC ZINC000481612026 1073381281 /nfs/dbraw/zinc/38/12/81/1073381281.db2.gz RKFIJFKPGUGAAL-MRXNPFEDSA-N 0 0 448.519 -0.270 20 30 IBEDRN CC(=O)N1CCN(C(=O)CCNC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000481755304 1073394005 /nfs/dbraw/zinc/39/40/05/1073394005.db2.gz KIBMITFVVYFQNI-AWEZNQCLSA-N 0 0 435.506 -0.578 20 30 IBEDRN CC(=O)N1CCN(C(=O)CCNC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000481755305 1073394091 /nfs/dbraw/zinc/39/40/91/1073394091.db2.gz KIBMITFVVYFQNI-CQSZACIVSA-N 0 0 435.506 -0.578 20 30 IBEDRN CC(=O)N1CCN(C(=O)CCNC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000481756631 1073391658 /nfs/dbraw/zinc/39/16/58/1073391658.db2.gz NGJFBFMVHHDWEW-AWEZNQCLSA-N 0 0 435.506 -0.578 20 30 IBEDRN CC(=O)N1CCN(C(=O)CCNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000481756632 1073391755 /nfs/dbraw/zinc/39/17/55/1073391755.db2.gz NGJFBFMVHHDWEW-CQSZACIVSA-N 0 0 435.506 -0.578 20 30 IBEDRN C=CCOC[C@H](NC(=O)C1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1)C(=O)OC ZINC000481765398 1073394479 /nfs/dbraw/zinc/39/44/79/1073394479.db2.gz JPWOIURXBMXTII-HNNXBMFYSA-N 0 0 428.511 -0.010 20 30 IBEDRN C=CCOC[C@@H](NC(=O)C1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1)C(=O)OC ZINC000481765400 1073394652 /nfs/dbraw/zinc/39/46/52/1073394652.db2.gz JPWOIURXBMXTII-OAHLLOKOSA-N 0 0 428.511 -0.010 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)NC2CCN(c3cccc(C)n3)CC2)CC1 ZINC000481766403 1073394672 /nfs/dbraw/zinc/39/46/72/1073394672.db2.gz PIJNBPGMONWPKN-UHFFFAOYSA-N 0 0 428.537 -0.079 20 30 IBEDRN C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000481768434 1073394433 /nfs/dbraw/zinc/39/44/33/1073394433.db2.gz NBUKTUHKHQWZSI-CYBMUJFWSA-N 0 0 446.576 -0.280 20 30 IBEDRN C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000481768437 1073394413 /nfs/dbraw/zinc/39/44/13/1073394413.db2.gz NBUKTUHKHQWZSI-ZDUSSCGKSA-N 0 0 446.576 -0.280 20 30 IBEDRN C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000481769082 1073394488 /nfs/dbraw/zinc/39/44/88/1073394488.db2.gz SIYRZCKSTBXJMQ-CYBMUJFWSA-N 0 0 446.576 -0.280 20 30 IBEDRN C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000481769083 1073394424 /nfs/dbraw/zinc/39/44/24/1073394424.db2.gz SIYRZCKSTBXJMQ-ZDUSSCGKSA-N 0 0 446.576 -0.280 20 30 IBEDRN C=CCOC[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)C(=O)OC ZINC000481770666 1073394984 /nfs/dbraw/zinc/39/49/84/1073394984.db2.gz UGVAANWKILGXBV-HNNXBMFYSA-N 0 0 425.463 -0.719 20 30 IBEDRN C=CCOC[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)C(=O)OC ZINC000481770667 1073395084 /nfs/dbraw/zinc/39/50/84/1073395084.db2.gz UGVAANWKILGXBV-OAHLLOKOSA-N 0 0 425.463 -0.719 20 30 IBEDRN C=CCOC[C@H](NC(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)OC ZINC000481772856 1073394845 /nfs/dbraw/zinc/39/48/45/1073394845.db2.gz CSMWXVVVRZFVIE-AWEZNQCLSA-N 0 0 428.463 -0.013 20 30 IBEDRN C=CCOC[C@@H](NC(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)OC ZINC000481772867 1073394967 /nfs/dbraw/zinc/39/49/67/1073394967.db2.gz CSMWXVVVRZFVIE-CQSZACIVSA-N 0 0 428.463 -0.013 20 30 IBEDRN C=CCOC[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1)C(=O)OC ZINC000481776954 1073395300 /nfs/dbraw/zinc/39/53/00/1073395300.db2.gz IXNRKEMPXHALMP-HNNXBMFYSA-N 0 0 425.463 -0.719 20 30 IBEDRN C=CCOC[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1)C(=O)OC ZINC000481776955 1073395570 /nfs/dbraw/zinc/39/55/70/1073395570.db2.gz IXNRKEMPXHALMP-OAHLLOKOSA-N 0 0 425.463 -0.719 20 30 IBEDRN COC(=O)CN(CCN1CCOCC1)C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 ZINC000481790801 1073396223 /nfs/dbraw/zinc/39/62/23/1073396223.db2.gz BSOJQVPNRVADNQ-HNNXBMFYSA-N 0 0 438.506 -0.441 20 30 IBEDRN COC(=O)CN(CCN1CCOCC1)C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 ZINC000481790802 1073396352 /nfs/dbraw/zinc/39/63/52/1073396352.db2.gz BSOJQVPNRVADNQ-OAHLLOKOSA-N 0 0 438.506 -0.441 20 30 IBEDRN COC(=O)CN(CCN1CCOCC1)C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 ZINC000481794543 1073396369 /nfs/dbraw/zinc/39/63/69/1073396369.db2.gz KSGPLHMJGGEOOT-HNNXBMFYSA-N 0 0 438.506 -0.441 20 30 IBEDRN COC(=O)CN(CCN1CCOCC1)C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 ZINC000481794544 1073396286 /nfs/dbraw/zinc/39/62/86/1073396286.db2.gz KSGPLHMJGGEOOT-OAHLLOKOSA-N 0 0 438.506 -0.441 20 30 IBEDRN COc1ccc(S(=O)(=O)N2CCCN(c3c(C#N)c(=O)n(C)c(=O)n3C)CC2)cc1 ZINC000481840885 1073402906 /nfs/dbraw/zinc/40/29/06/1073402906.db2.gz OXWYNPJYLVMCBY-UHFFFAOYSA-N 0 0 433.490 -0.135 20 30 IBEDRN C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000481931618 1073407553 /nfs/dbraw/zinc/40/75/53/1073407553.db2.gz JMULEPZHMVTNPB-AWEZNQCLSA-N 0 0 446.489 -0.081 20 30 IBEDRN C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000481931619 1073408329 /nfs/dbraw/zinc/40/83/29/1073408329.db2.gz JMULEPZHMVTNPB-CQSZACIVSA-N 0 0 446.489 -0.081 20 30 IBEDRN C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000481933206 1073408379 /nfs/dbraw/zinc/40/83/79/1073408379.db2.gz OZKYSWVBORYEBK-AWEZNQCLSA-N 0 0 446.489 -0.081 20 30 IBEDRN C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000481933207 1073408284 /nfs/dbraw/zinc/40/82/84/1073408284.db2.gz OZKYSWVBORYEBK-CQSZACIVSA-N 0 0 446.489 -0.081 20 30 IBEDRN CCn1c(=O)c(=Cc2cc(C#N)cs2)sc1=C(C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000481978251 1071449478 /nfs/dbraw/zinc/44/94/78/1071449478.db2.gz CMYQEFUVNOXJBZ-UHFFFAOYSA-N 0 0 448.551 -0.377 20 30 IBEDRN Cn1c(=O)c(=Cc2cc(C#N)cs2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000481981234 1073408823 /nfs/dbraw/zinc/40/88/23/1073408823.db2.gz ZNTPIYTWRDEQLL-UHFFFAOYSA-N 0 0 429.527 -0.669 20 30 IBEDRN CCn1c(=O)c(=Cc2cc(C#N)cs2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000481985157 1073408369 /nfs/dbraw/zinc/40/83/69/1073408369.db2.gz WUFKSDBQZFDZRB-UHFFFAOYSA-N 0 0 443.554 -0.186 20 30 IBEDRN C[C@@H](CS(C)(=O)=O)N(C)CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000482168951 1073411667 /nfs/dbraw/zinc/41/16/67/1073411667.db2.gz KHYYVWXVFJHAND-HNNXBMFYSA-N 0 0 442.563 -0.244 20 30 IBEDRN C[C@H](CS(C)(=O)=O)N(C)CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000482168954 1073411711 /nfs/dbraw/zinc/41/17/11/1073411711.db2.gz KHYYVWXVFJHAND-OAHLLOKOSA-N 0 0 442.563 -0.244 20 30 IBEDRN C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@@H]1C(=O)N1CCN(C)CC1 ZINC000482172098 1073412415 /nfs/dbraw/zinc/41/24/15/1073412415.db2.gz CCVSEFMUKTZHOH-CRAIPNDOSA-N 0 0 433.534 -0.010 20 30 IBEDRN C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@H]1C(=O)N1CCN(C)CC1 ZINC000482172101 1073412474 /nfs/dbraw/zinc/41/24/74/1073412474.db2.gz CCVSEFMUKTZHOH-YJBOKZPZSA-N 0 0 433.534 -0.010 20 30 IBEDRN C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@@H]1C(=O)N1CCN(C)CC1 ZINC000482174701 1073412362 /nfs/dbraw/zinc/41/23/62/1073412362.db2.gz IPAVMINHRPCPNG-CRAIPNDOSA-N 0 0 433.534 -0.010 20 30 IBEDRN C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@@H]1C(=O)N1CCN(C)CC1 ZINC000482174702 1073412337 /nfs/dbraw/zinc/41/23/37/1073412337.db2.gz IPAVMINHRPCPNG-MAUKXSAKSA-N 0 0 433.534 -0.010 20 30 IBEDRN C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@H]1C(=O)N1CCN(C)CC1 ZINC000482174703 1073412437 /nfs/dbraw/zinc/41/24/37/1073412437.db2.gz IPAVMINHRPCPNG-QAPCUYQASA-N 0 0 433.534 -0.010 20 30 IBEDRN C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@H]1C(=O)N1CCN(C)CC1 ZINC000482174704 1073412347 /nfs/dbraw/zinc/41/23/47/1073412347.db2.gz IPAVMINHRPCPNG-YJBOKZPZSA-N 0 0 433.534 -0.010 20 30 IBEDRN C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000482193404 1073413169 /nfs/dbraw/zinc/41/31/69/1073413169.db2.gz OPZXXCRAGASWGF-AWEZNQCLSA-N 0 0 446.489 -0.081 20 30 IBEDRN C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000482193405 1073413245 /nfs/dbraw/zinc/41/32/45/1073413245.db2.gz OPZXXCRAGASWGF-CQSZACIVSA-N 0 0 446.489 -0.081 20 30 IBEDRN C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000482200095 1073413015 /nfs/dbraw/zinc/41/30/15/1073413015.db2.gz RLOBKZIJSXOSNL-AWEZNQCLSA-N 0 0 446.489 -0.081 20 30 IBEDRN C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000482200096 1073413275 /nfs/dbraw/zinc/41/32/75/1073413275.db2.gz RLOBKZIJSXOSNL-CQSZACIVSA-N 0 0 446.489 -0.081 20 30 IBEDRN C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000482213633 1073413184 /nfs/dbraw/zinc/41/31/84/1073413184.db2.gz MCEBJIIWJQGUQW-DOTOQJQBSA-N 0 0 449.533 -0.726 20 30 IBEDRN C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000482213639 1073413098 /nfs/dbraw/zinc/41/30/98/1073413098.db2.gz MCEBJIIWJQGUQW-NVXWUHKLSA-N 0 0 449.533 -0.726 20 30 IBEDRN C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000482213641 1073413142 /nfs/dbraw/zinc/41/31/42/1073413142.db2.gz MCEBJIIWJQGUQW-RDJZCZTQSA-N 0 0 449.533 -0.726 20 30 IBEDRN C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000482213643 1073413264 /nfs/dbraw/zinc/41/32/64/1073413264.db2.gz MCEBJIIWJQGUQW-WBVHZDCISA-N 0 0 449.533 -0.726 20 30 IBEDRN C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000482217462 1073413076 /nfs/dbraw/zinc/41/30/76/1073413076.db2.gz PUZPTMASVIKZBV-DOTOQJQBSA-N 0 0 449.533 -0.726 20 30 IBEDRN C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000482217464 1073413045 /nfs/dbraw/zinc/41/30/45/1073413045.db2.gz PUZPTMASVIKZBV-NVXWUHKLSA-N 0 0 449.533 -0.726 20 30 IBEDRN C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000482217468 1073413883 /nfs/dbraw/zinc/41/38/83/1073413883.db2.gz PUZPTMASVIKZBV-RDJZCZTQSA-N 0 0 449.533 -0.726 20 30 IBEDRN C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000482217470 1073413773 /nfs/dbraw/zinc/41/37/73/1073413773.db2.gz PUZPTMASVIKZBV-WBVHZDCISA-N 0 0 449.533 -0.726 20 30 IBEDRN COCCNC(=O)Cn1cc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)cn1 ZINC000482381528 1073416829 /nfs/dbraw/zinc/41/68/29/1073416829.db2.gz GOQZPBLLCGTGLN-CYBMUJFWSA-N 0 0 434.478 -0.177 20 30 IBEDRN COCCNC(=O)Cn1cc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)cn1 ZINC000482381538 1073416655 /nfs/dbraw/zinc/41/66/55/1073416655.db2.gz GOQZPBLLCGTGLN-ZDUSSCGKSA-N 0 0 434.478 -0.177 20 30 IBEDRN COCCNC(=O)Cn1cc(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)cn1 ZINC000482384277 1073416790 /nfs/dbraw/zinc/41/67/90/1073416790.db2.gz KGYUENZEJCZVRP-CYBMUJFWSA-N 0 0 434.478 -0.177 20 30 IBEDRN COCCNC(=O)Cn1cc(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)cn1 ZINC000482384280 1073416640 /nfs/dbraw/zinc/41/66/40/1073416640.db2.gz KGYUENZEJCZVRP-ZDUSSCGKSA-N 0 0 434.478 -0.177 20 30 IBEDRN C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(c2nccn(C)c2=O)CC1 ZINC000482504462 1073418300 /nfs/dbraw/zinc/41/83/00/1073418300.db2.gz GZHRQXHSOLFKDY-AWEZNQCLSA-N 0 0 430.490 -0.332 20 30 IBEDRN C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(c2nccn(C)c2=O)CC1 ZINC000482504463 1073418355 /nfs/dbraw/zinc/41/83/55/1073418355.db2.gz GZHRQXHSOLFKDY-CQSZACIVSA-N 0 0 430.490 -0.332 20 30 IBEDRN C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(c2nccn(C)c2=O)CC1 ZINC000482514495 1073418307 /nfs/dbraw/zinc/41/83/07/1073418307.db2.gz ULMOTJUHOJFCNH-AWEZNQCLSA-N 0 0 430.490 -0.332 20 30 IBEDRN C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(c2nccn(C)c2=O)CC1 ZINC000482514497 1073418314 /nfs/dbraw/zinc/41/83/14/1073418314.db2.gz ULMOTJUHOJFCNH-CQSZACIVSA-N 0 0 430.490 -0.332 20 30 IBEDRN CCn1c(=O)c(=Cc2ccc(C#N)s2)sc1=C(C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000482545953 1073418786 /nfs/dbraw/zinc/41/87/86/1073418786.db2.gz BADHPXLDGJVVFR-UHFFFAOYSA-N 0 0 448.551 -0.377 20 30 IBEDRN CCn1c(=O)c(=Cc2ccc(C#N)s2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000482557720 1073418820 /nfs/dbraw/zinc/41/88/20/1073418820.db2.gz SJXSSCURGCUSPH-UHFFFAOYSA-N 0 0 443.554 -0.186 20 30 IBEDRN Cn1c(=O)c(=Cc2ccc(C#N)s2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000482568492 1073419650 /nfs/dbraw/zinc/41/96/50/1073419650.db2.gz ZWNDSLNUKCNYMB-UHFFFAOYSA-N 0 0 429.527 -0.669 20 30 IBEDRN C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(CCN(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000482835266 1073431205 /nfs/dbraw/zinc/43/12/05/1073431205.db2.gz CMTJXVRJMDHGQH-GDBMZVCRSA-N 0 0 442.563 -0.198 20 30 IBEDRN C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(CCN(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000482835267 1073431340 /nfs/dbraw/zinc/43/13/40/1073431340.db2.gz CMTJXVRJMDHGQH-GOEBONIOSA-N 0 0 442.563 -0.198 20 30 IBEDRN C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(CCN(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000482835268 1073431273 /nfs/dbraw/zinc/43/12/73/1073431273.db2.gz CMTJXVRJMDHGQH-HOCLYGCPSA-N 0 0 442.563 -0.198 20 30 IBEDRN C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(CCN(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000482835269 1073431305 /nfs/dbraw/zinc/43/13/05/1073431305.db2.gz CMTJXVRJMDHGQH-ZBFHGGJFSA-N 0 0 442.563 -0.198 20 30 IBEDRN C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(CCN(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000482842011 1073431187 /nfs/dbraw/zinc/43/11/87/1073431187.db2.gz SYAGVLZKNRVGCV-GDBMZVCRSA-N 0 0 442.563 -0.198 20 30 IBEDRN C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(CCN(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000482842012 1073431139 /nfs/dbraw/zinc/43/11/39/1073431139.db2.gz SYAGVLZKNRVGCV-GOEBONIOSA-N 0 0 442.563 -0.198 20 30 IBEDRN C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(CCN(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000482842013 1073431318 /nfs/dbraw/zinc/43/13/18/1073431318.db2.gz SYAGVLZKNRVGCV-HOCLYGCPSA-N 0 0 442.563 -0.198 20 30 IBEDRN C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(CCN(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000482842014 1073431289 /nfs/dbraw/zinc/43/12/89/1073431289.db2.gz SYAGVLZKNRVGCV-ZBFHGGJFSA-N 0 0 442.563 -0.198 20 30 IBEDRN C[C@H]1OCC[C@@H]1N(CCO)CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000483300586 1073445600 /nfs/dbraw/zinc/44/56/00/1073445600.db2.gz XVQLIDQOQDFYFY-AEFFLSMTSA-N 0 0 436.534 -0.137 20 30 IBEDRN C[C@@H]1OCC[C@H]1N(CCO)CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000483300592 1073445574 /nfs/dbraw/zinc/44/55/74/1073445574.db2.gz XVQLIDQOQDFYFY-FUHWJXTLSA-N 0 0 436.534 -0.137 20 30 IBEDRN C[C@H]1OCC[C@H]1N(CCO)CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000483300594 1073445464 /nfs/dbraw/zinc/44/54/64/1073445464.db2.gz XVQLIDQOQDFYFY-SJLPKXTDSA-N 0 0 436.534 -0.137 20 30 IBEDRN C[C@@H]1OCC[C@@H]1N(CCO)CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000483300597 1073445492 /nfs/dbraw/zinc/44/54/92/1073445492.db2.gz XVQLIDQOQDFYFY-WMZOPIPTSA-N 0 0 436.534 -0.137 20 30 IBEDRN C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCN(CCS(N)(=O)=O)CC2)cc1 ZINC000483501650 1073449217 /nfs/dbraw/zinc/44/92/17/1073449217.db2.gz JNCZTEDOJXXFAP-CYBMUJFWSA-N 0 0 429.524 -0.190 20 30 IBEDRN C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCN(CCS(N)(=O)=O)CC2)cc1 ZINC000483501660 1073449337 /nfs/dbraw/zinc/44/93/37/1073449337.db2.gz JNCZTEDOJXXFAP-ZDUSSCGKSA-N 0 0 429.524 -0.190 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(OC(C)C)c(C(N)=O)c2)CC1 ZINC000484023423 1073467064 /nfs/dbraw/zinc/46/70/64/1073467064.db2.gz ZAPKJWPPDMDZDX-UHFFFAOYSA-N 0 0 431.493 -0.042 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(OCC(=O)NC)cc2C)CC1 ZINC000484023868 1073466898 /nfs/dbraw/zinc/46/68/98/1073466898.db2.gz ZNIRYLPHZYGVQG-UHFFFAOYSA-N 0 0 431.493 -0.495 20 30 IBEDRN COC(=O)Cn1ncc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)c1C ZINC000484098881 1073469816 /nfs/dbraw/zinc/46/98/16/1073469816.db2.gz XYGZFXLZXXCKHG-GFCCVEGCSA-N 0 0 426.437 -0.298 20 30 IBEDRN COC(=O)Cn1ncc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)c1C ZINC000484098882 1073469913 /nfs/dbraw/zinc/46/99/13/1073469913.db2.gz XYGZFXLZXXCKHG-LBPRGKRZSA-N 0 0 426.437 -0.298 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cnn(C(C)(C)C(=O)OCC)c2)CC1 ZINC000484200643 1073475522 /nfs/dbraw/zinc/47/55/22/1073475522.db2.gz LSMDGQZPCAXBOU-UHFFFAOYSA-N 0 0 434.497 -0.434 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)NC)c2C)CC1 ZINC000484205476 1073474147 /nfs/dbraw/zinc/47/41/47/1073474147.db2.gz VYLRRZIYQQJEGZ-UHFFFAOYSA-N 0 0 437.522 -0.712 20 30 IBEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccnc(S(N)(=O)=O)c3)CC2)cc1 ZINC000484227963 1073477095 /nfs/dbraw/zinc/47/70/95/1073477095.db2.gz CKPZLQBIXHBUBT-UHFFFAOYSA-N 0 0 435.487 -0.253 20 30 IBEDRN N#CCCN(CCN1CCOCC1)C(=O)C(=O)Nc1cccc(N2C(=O)COCC2=O)c1 ZINC000484259676 1073476942 /nfs/dbraw/zinc/47/69/42/1073476942.db2.gz LJMGDHWYFSBRPG-UHFFFAOYSA-N 0 0 443.460 -0.411 20 30 IBEDRN N#Cc1ccc(C(=O)NCCS(=O)(=O)N2CCN(C(=O)c3ccc(C#N)[nH]3)CC2)[nH]1 ZINC000484313904 1073478316 /nfs/dbraw/zinc/47/83/16/1073478316.db2.gz YZMPHBREUFKJJT-UHFFFAOYSA-N 0 0 429.462 -0.396 20 30 IBEDRN COC(=O)Cn1ncc(NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)c1C ZINC000484381889 1073482126 /nfs/dbraw/zinc/48/21/26/1073482126.db2.gz GIUJFPMUAXOGKY-UHFFFAOYSA-N 0 0 428.453 -0.435 20 30 IBEDRN CCOC(=O)C=c1sc(=Cc2ccc(C#N)s2)c(=O)n1CC(=O)N1CCOCC1 ZINC000484454552 1073489143 /nfs/dbraw/zinc/48/91/43/1073489143.db2.gz JPIFVEYZPXNZNI-UHFFFAOYSA-N 0 0 433.511 -0.126 20 30 IBEDRN Cn1nccc1C=c1sc(=C(C#N)C(=O)N2CCSCC2)n(C[C@@H]2CCCO2)c1=O ZINC000484543199 1073491643 /nfs/dbraw/zinc/49/16/43/1073491643.db2.gz PBVWGVCRSRAKSI-HNNXBMFYSA-N 0 0 445.570 -0.099 20 30 IBEDRN Cn1nccc1C=c1sc(=C(C#N)C(=O)N2CCSCC2)n(C[C@H]2CCCO2)c1=O ZINC000484543203 1073491670 /nfs/dbraw/zinc/49/16/70/1073491670.db2.gz PBVWGVCRSRAKSI-OAHLLOKOSA-N 0 0 445.570 -0.099 20 30 IBEDRN COC(=O)[C@]12CN(C(=O)C(=O)Nc3nn(-c4ccc(C#N)cn4)cc3C)C[C@H]1COCC2 ZINC000485036061 1072825037 /nfs/dbraw/zinc/82/50/37/1072825037.db2.gz TXRKRWVIHKJOIF-YCRPNKLZSA-N 0 0 438.444 -0.154 20 30 IBEDRN COC(=O)CN(CC#N)CC(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 ZINC000485065821 1073512532 /nfs/dbraw/zinc/51/25/32/1073512532.db2.gz FKMXWWBEPHFXBR-UHFFFAOYSA-N 0 0 430.433 -0.204 20 30 IBEDRN COC(=O)CN(CC#N)CC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 ZINC000485067457 1073512112 /nfs/dbraw/zinc/51/21/12/1073512112.db2.gz HNDSJVKFDFLHHD-UHFFFAOYSA-N 0 0 440.478 -0.347 20 30 IBEDRN CCOc1ccc(S(=O)(=O)N2CCN(C(=O)CN(CC#N)CC(=O)OC)CC2)cc1 ZINC000485071531 1073512134 /nfs/dbraw/zinc/51/21/34/1073512134.db2.gz NYHBTPPTOQPBOF-UHFFFAOYSA-N 0 0 438.506 -0.083 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(S(=O)(=O)c3csc(C)n3)CC2)C1=O ZINC000485445782 1073526619 /nfs/dbraw/zinc/52/66/19/1073526619.db2.gz XJUKCGVAWUAKPR-UHFFFAOYSA-N 0 0 441.491 -0.739 20 30 IBEDRN Cn1c2c(ccn2CC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c(=O)n(C)c1=O ZINC000485997879 1073539480 /nfs/dbraw/zinc/53/94/80/1073539480.db2.gz BXTGKGZETPWLEI-KRWDZBQOSA-N 0 0 434.456 -0.172 20 30 IBEDRN Cn1c2c(ccn2CC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c(=O)n(C)c1=O ZINC000485997880 1073539674 /nfs/dbraw/zinc/53/96/74/1073539674.db2.gz BXTGKGZETPWLEI-QGZVFWFLSA-N 0 0 434.456 -0.172 20 30 IBEDRN Cn1c2ncn(CCC(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)c2c(=O)n(C)c1=O ZINC000486011823 1073539635 /nfs/dbraw/zinc/53/96/35/1073539635.db2.gz ADUIMFHVQSFSID-INIZCTEOSA-N 0 0 449.471 -0.387 20 30 IBEDRN Cn1c2ncn(CCC(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)c2c(=O)n(C)c1=O ZINC000486011845 1073539563 /nfs/dbraw/zinc/53/95/63/1073539563.db2.gz ADUIMFHVQSFSID-MRXNPFEDSA-N 0 0 449.471 -0.387 20 30 IBEDRN Cn1cnc2c1c(=O)n(CC(=O)N[C@H]1CCN(Cc3ccc(C#N)cc3)C1=O)c(=O)n2C ZINC000486013158 1073539591 /nfs/dbraw/zinc/53/95/91/1073539591.db2.gz CLIUFWXSGAQLKI-HNNXBMFYSA-N 0 0 435.444 -0.777 20 30 IBEDRN Cn1cnc2c1c(=O)n(CC(=O)N[C@@H]1CCN(Cc3ccc(C#N)cc3)C1=O)c(=O)n2C ZINC000486013167 1073539576 /nfs/dbraw/zinc/53/95/76/1073539576.db2.gz CLIUFWXSGAQLKI-OAHLLOKOSA-N 0 0 435.444 -0.777 20 30 IBEDRN Cn1c2ncn(CC(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)c2c(=O)n(C)c1=O ZINC000486019150 1073539704 /nfs/dbraw/zinc/53/97/04/1073539704.db2.gz NZJZMSHMGOLXRM-HNNXBMFYSA-N 0 0 435.444 -0.777 20 30 IBEDRN Cn1c2ncn(CC(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)c2c(=O)n(C)c1=O ZINC000486019152 1073539529 /nfs/dbraw/zinc/53/95/29/1073539529.db2.gz NZJZMSHMGOLXRM-OAHLLOKOSA-N 0 0 435.444 -0.777 20 30 IBEDRN CS(=O)(=O)N1CCN(S(=O)(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 ZINC000486647731 1073551765 /nfs/dbraw/zinc/55/17/65/1073551765.db2.gz WCYIJHJFNHVVOD-INIZCTEOSA-N 0 0 441.535 -0.929 20 30 IBEDRN CS(=O)(=O)N1CCN(S(=O)(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 ZINC000486647736 1073551791 /nfs/dbraw/zinc/55/17/91/1073551791.db2.gz WCYIJHJFNHVVOD-MRXNPFEDSA-N 0 0 441.535 -0.929 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F)CC1 ZINC000486919353 1073558192 /nfs/dbraw/zinc/55/81/92/1073558192.db2.gz JONYPPADVKHXEZ-GFCCVEGCSA-N 0 0 429.465 -0.562 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F)CC1 ZINC000486919354 1073558371 /nfs/dbraw/zinc/55/83/71/1073558371.db2.gz JONYPPADVKHXEZ-LBPRGKRZSA-N 0 0 429.465 -0.562 20 30 IBEDRN COC(=O)CCN(C)S(=O)(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000486981561 1073560188 /nfs/dbraw/zinc/56/01/88/1073560188.db2.gz OGCGTQOMZVECRT-UHFFFAOYSA-N 0 0 430.508 -0.396 20 30 IBEDRN COC(=O)CCN(C)S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000486985819 1073559950 /nfs/dbraw/zinc/55/99/50/1073559950.db2.gz JVHLWJLFZYXJGC-UHFFFAOYSA-N 0 0 430.508 -0.396 20 30 IBEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCS(=O)(=O)NC(C)C)cc1 ZINC000487010721 1073560544 /nfs/dbraw/zinc/56/05/44/1073560544.db2.gz ZFERQIMORNCXAO-UHFFFAOYSA-N 0 0 446.551 -0.124 20 30 IBEDRN COC(=O)[C@H]1CS(=O)(=O)CCN1C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 ZINC000487069763 1073562708 /nfs/dbraw/zinc/56/27/08/1073562708.db2.gz KXPGQGHVEOHFBR-BXUZGUMPSA-N 0 0 429.476 -0.976 20 30 IBEDRN COC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 ZINC000487069768 1073562509 /nfs/dbraw/zinc/56/25/09/1073562509.db2.gz KXPGQGHVEOHFBR-FZMZJTMJSA-N 0 0 429.476 -0.976 20 30 IBEDRN COC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 ZINC000487069770 1073562559 /nfs/dbraw/zinc/56/25/59/1073562559.db2.gz KXPGQGHVEOHFBR-RISCZKNCSA-N 0 0 429.476 -0.976 20 30 IBEDRN COC(=O)[C@H]1CS(=O)(=O)CCN1C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 ZINC000487069772 1073562525 /nfs/dbraw/zinc/56/25/25/1073562525.db2.gz KXPGQGHVEOHFBR-SMDDNHRTSA-N 0 0 429.476 -0.976 20 30 IBEDRN COC(=O)[C@H]1CS(=O)(=O)CCN1C(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 ZINC000487082655 1073563673 /nfs/dbraw/zinc/56/36/73/1073563673.db2.gz HVWXCTUNISYEHX-CYBMUJFWSA-N 0 0 429.476 -0.791 20 30 IBEDRN COC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 ZINC000487082656 1073563718 /nfs/dbraw/zinc/56/37/18/1073563718.db2.gz HVWXCTUNISYEHX-ZDUSSCGKSA-N 0 0 429.476 -0.791 20 30 IBEDRN COC(=O)[C@H]1CS(=O)(=O)CCN1C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 ZINC000487136912 1073566283 /nfs/dbraw/zinc/56/62/83/1073566283.db2.gz LARQQOHPYUQQLD-BXUZGUMPSA-N 0 0 429.476 -0.976 20 30 IBEDRN COC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 ZINC000487136915 1073566341 /nfs/dbraw/zinc/56/63/41/1073566341.db2.gz LARQQOHPYUQQLD-FZMZJTMJSA-N 0 0 429.476 -0.976 20 30 IBEDRN COC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 ZINC000487136919 1073566319 /nfs/dbraw/zinc/56/63/19/1073566319.db2.gz LARQQOHPYUQQLD-RISCZKNCSA-N 0 0 429.476 -0.976 20 30 IBEDRN COC(=O)[C@H]1CS(=O)(=O)CCN1C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 ZINC000487136922 1073566199 /nfs/dbraw/zinc/56/61/99/1073566199.db2.gz LARQQOHPYUQQLD-SMDDNHRTSA-N 0 0 429.476 -0.976 20 30 IBEDRN N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CCN(C(=O)C(=O)NC4CC4)CC3)C2=O)cc1 ZINC000487501828 1072628555 /nfs/dbraw/zinc/62/85/55/1072628555.db2.gz KQFRXNMJJMWYLS-GOSISDBHSA-N 0 0 438.488 -0.208 20 30 IBEDRN N#Cc1ccc(CN2CC[C@H](NC(=O)N3CCN(C(=O)C(=O)NC4CC4)CC3)C2=O)cc1 ZINC000487501829 1072628507 /nfs/dbraw/zinc/62/85/07/1072628507.db2.gz KQFRXNMJJMWYLS-SFHVURJKSA-N 0 0 438.488 -0.208 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc3c(cc2C(=O)OC)OCO3)CC1 ZINC000487775350 1073576679 /nfs/dbraw/zinc/57/66/79/1073576679.db2.gz GANQAKIPXPRNLR-UHFFFAOYSA-N 0 0 432.433 -0.413 20 30 IBEDRN CSc1ccc(C=c2sc(=C(C#N)C(=O)N3CCS(=O)(=O)CC3)n(C)c2=O)cc1 ZINC000488052952 1073581572 /nfs/dbraw/zinc/58/15/72/1073581572.db2.gz FJHHLKKDWUNTOI-UHFFFAOYSA-N 0 0 449.579 -0.071 20 30 IBEDRN Cc1ccc(C)c(C=c2sc(=C(C#N)C(=O)N3CCS(=O)(=O)CC3)n(C)c2=O)c1 ZINC000488053894 1073581464 /nfs/dbraw/zinc/58/14/64/1073581464.db2.gz GZGZPXJQGOQZPM-UHFFFAOYSA-N 0 0 431.539 -0.176 20 30 IBEDRN C=CCn1c(=O)c(=Cc2ccccc2F)sc1=C(C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000488054454 1073581532 /nfs/dbraw/zinc/58/15/32/1073581532.db2.gz IEDLBJRZWVNQKX-UHFFFAOYSA-N 0 0 447.513 -0.005 20 30 IBEDRN CCCCn1c(=O)c(=Cc2ccnn2C)sc1=C(C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000488054639 1073581617 /nfs/dbraw/zinc/58/16/17/1073581617.db2.gz IRDIWODFPDECOS-UHFFFAOYSA-N 0 0 449.558 -0.797 20 30 IBEDRN C=CCn1c(=O)c(=Cc2ccncc2)sc1=C(C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000488055166 1073581602 /nfs/dbraw/zinc/58/16/02/1073581602.db2.gz JUCYWLYSKNDGNW-UHFFFAOYSA-N 0 0 430.511 -0.749 20 30 IBEDRN C=CCn1c(=O)c(=Cc2cccs2)sc1=C(C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000488055596 1073582052 /nfs/dbraw/zinc/58/20/52/1073582052.db2.gz KOPYDIPGBRUSBH-UHFFFAOYSA-N 0 0 435.552 -0.083 20 30 IBEDRN COc1ccccc1C=c1sc(=C(C#N)C(=O)N2CCS(=O)(=O)CC2)n(C)c1=O ZINC000488055897 1073582071 /nfs/dbraw/zinc/58/20/71/1073582071.db2.gz KXNPDIJLYJIXGS-UHFFFAOYSA-N 0 0 433.511 -0.785 20 30 IBEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)N3CCS(=O)(=O)CC3)n(C)c2=O)cc1C ZINC000488056923 1072723974 /nfs/dbraw/zinc/72/39/74/1072723974.db2.gz MSRPDBGWUVITLV-UHFFFAOYSA-N 0 0 447.538 -0.476 20 30 IBEDRN Cn1c(=O)c(=Cc2ccccc2Cl)sc1=C(C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000488057305 1072723826 /nfs/dbraw/zinc/72/38/26/1072723826.db2.gz NUBCPHCFKAEJAP-UHFFFAOYSA-N 0 0 437.930 -0.140 20 30 IBEDRN Cn1c(=O)c(=Cc2ccc(Cl)cc2)sc1=C(C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000488057306 1072723955 /nfs/dbraw/zinc/72/39/55/1072723955.db2.gz NUZGJDWZERDIBG-UHFFFAOYSA-N 0 0 437.930 -0.140 20 30 IBEDRN CC(C)Cn1c(=O)c(=Cc2ccnn2C)sc1=C(C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000488057612 1072723943 /nfs/dbraw/zinc/72/39/43/1072723943.db2.gz OSBFLTFEVALQHT-UHFFFAOYSA-N 0 0 449.558 -0.941 20 30 IBEDRN Cn1c(=O)c(=Cc2cccc(Cl)c2)sc1=C(C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000488057935 1072723964 /nfs/dbraw/zinc/72/39/64/1072723964.db2.gz QCMFOBPTZNAGHZ-UHFFFAOYSA-N 0 0 437.930 -0.140 20 30 IBEDRN C=CCn1c(=O)c(=Cc2ccccn2)sc1=C(C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000488058204 1073581508 /nfs/dbraw/zinc/58/15/08/1073581508.db2.gz QRRBUTIHPOOUSV-UHFFFAOYSA-N 0 0 430.511 -0.749 20 30 IBEDRN CCCn1c(=O)c(=Cc2cscn2)sc1=C(C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000488058574 1072723930 /nfs/dbraw/zinc/72/39/30/1072723930.db2.gz RZWHYPXLEOBONZ-UHFFFAOYSA-N 0 0 438.556 -0.464 20 30 IBEDRN CCCCn1c(=O)c(=Cc2ccccn2)sc1=C(C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000488058901 1072723791 /nfs/dbraw/zinc/72/37/91/1072723791.db2.gz SUYOZMDZLDCDCL-UHFFFAOYSA-N 0 0 446.554 -0.135 20 30 IBEDRN C=CCn1c(=O)c(=Cc2ccccc2)sc1=C(C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000488060149 1073581767 /nfs/dbraw/zinc/58/17/67/1073581767.db2.gz WIQPPOOAGBSODK-UHFFFAOYSA-N 0 0 429.523 -0.144 20 30 IBEDRN C=CCn1c(=O)c(=Cc2ccsc2)sc1=C(C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000488060737 1073581584 /nfs/dbraw/zinc/58/15/84/1073581584.db2.gz XUZMLODBUBIZJT-UHFFFAOYSA-N 0 0 435.552 -0.083 20 30 IBEDRN CCn1c(=O)c(=Cc2ccc(OC)cc2)sc1=C(C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000488069220 1072725581 /nfs/dbraw/zinc/72/55/81/1072725581.db2.gz ACBBJHSVJKTBEV-UHFFFAOYSA-N 0 0 447.538 -0.302 20 30 IBEDRN CCc1ccc(C=c2sc(=C(C#N)C(=O)N3CCS(=O)(=O)CC3)n(C)c2=O)cc1 ZINC000488069822 1072725724 /nfs/dbraw/zinc/72/57/24/1072725724.db2.gz BSOZZOCHLHMPCM-UHFFFAOYSA-N 0 0 431.539 -0.231 20 30 IBEDRN Cn1c(=O)c(=Cc2ccc(F)c(F)c2)sc1=C(C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000488071665 1072725493 /nfs/dbraw/zinc/72/54/93/1072725493.db2.gz HDKYZLAIWWALKI-UHFFFAOYSA-N 0 0 439.465 -0.515 20 30 IBEDRN CCn1c(=O)c(=Cc2cccc(OC)c2)sc1=C(C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000488071946 1072725612 /nfs/dbraw/zinc/72/56/12/1072725612.db2.gz HWGKZDRPCXWVIV-UHFFFAOYSA-N 0 0 447.538 -0.302 20 30 IBEDRN Cc1ccc(C=c2sc(=C(C#N)C(=O)N3CCS(=O)(=O)CC3)n(C)c2=O)c(C)c1 ZINC000488072008 1072725524 /nfs/dbraw/zinc/72/55/24/1072725524.db2.gz IBHRNOXRMWQZDE-UHFFFAOYSA-N 0 0 431.539 -0.176 20 30 IBEDRN CCn1c(=O)c(=Cc2ccccc2OC)sc1=C(C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000488072050 1072725432 /nfs/dbraw/zinc/72/54/32/1072725432.db2.gz IDMPGCYDKHILRC-UHFFFAOYSA-N 0 0 447.538 -0.302 20 30 IBEDRN CCn1c(=O)c(=Cc2cccc(F)c2)sc1=C(C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000488072890 1072725596 /nfs/dbraw/zinc/72/55/96/1072725596.db2.gz KDIVERGEIIMYCV-UHFFFAOYSA-N 0 0 435.502 -0.171 20 30 IBEDRN CC(C)Cn1c(=O)c(=Cc2ccncc2)sc1=C(C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000488073649 1072725539 /nfs/dbraw/zinc/72/55/39/1072725539.db2.gz LWYNTCVYDGJANK-UHFFFAOYSA-N 0 0 446.554 -0.279 20 30 IBEDRN CC(C)Cn1c(=O)c(=Cc2ccco2)sc1=C(C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000488074057 1072726618 /nfs/dbraw/zinc/72/66/18/1072726618.db2.gz MDFXXAKLSXWLPH-UHFFFAOYSA-N 0 0 435.527 -0.081 20 30 IBEDRN CC(C)Cn1c(=O)c(=Cc2ccccn2)sc1=C(C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000488075716 1072727187 /nfs/dbraw/zinc/72/71/87/1072727187.db2.gz ORQCIJRRYZMADR-UHFFFAOYSA-N 0 0 446.554 -0.279 20 30 IBEDRN CCn1c(=O)c(=Cc2ccccc2C)sc1=C(C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000488078174 1072727272 /nfs/dbraw/zinc/72/72/72/1072727272.db2.gz UAEFLDVVNAOVLJ-UHFFFAOYSA-N 0 0 431.539 -0.002 20 30 IBEDRN CCn1c(=O)c(=Cc2ccc(F)cc2)sc1=C(C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000488079813 1072728616 /nfs/dbraw/zinc/72/86/16/1072728616.db2.gz AEPFXZQFPSLTNA-UHFFFAOYSA-N 0 0 435.502 -0.171 20 30 IBEDRN Cn1c(=O)c(=Cc2ccccc2[N+](=O)[O-])sc1=C(C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000488080419 1073582027 /nfs/dbraw/zinc/58/20/27/1073582027.db2.gz XNQPKPGEQUQSOT-UHFFFAOYSA-N 0 0 448.482 -0.885 20 30 IBEDRN CCn1c(=O)c(=Cc2ccccc2F)sc1=C(C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000488116352 1073582081 /nfs/dbraw/zinc/58/20/81/1073582081.db2.gz IHPGGALNIAHVBJ-UHFFFAOYSA-N 0 0 435.502 -0.171 20 30 IBEDRN Cn1c(=O)c(=Cc2ccc3c(c2)CCO3)sc1=C(C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000488117647 1073582273 /nfs/dbraw/zinc/58/22/73/1073582273.db2.gz LDYMXRQYIVMJAW-UHFFFAOYSA-N 0 0 445.522 -0.858 20 30 IBEDRN CCOc1cccc(C=c2sc(=C(C#N)C(=O)N3CCS(=O)(=O)CC3)n(C)c2=O)c1 ZINC000488120675 1073582688 /nfs/dbraw/zinc/58/26/88/1073582688.db2.gz QFLQHULJDCYGOY-UHFFFAOYSA-N 0 0 447.538 -0.394 20 30 IBEDRN Cc1ccc(C=c2sc(=C(C#N)C(=O)N3CCS(=O)(=O)CC3)n(C)c2=O)cc1F ZINC000488120843 1073582516 /nfs/dbraw/zinc/58/25/16/1073582516.db2.gz RGEUJTAMLIGZDS-UHFFFAOYSA-N 0 0 435.502 -0.346 20 30 IBEDRN Cc1cc(C=c2sc(=C(C#N)C(=O)N3CCS(=O)(=O)CC3)n(C)c2=O)ccc1F ZINC000488124589 1072739491 /nfs/dbraw/zinc/73/94/91/1072739491.db2.gz ZJNXZOFTOWPXRF-UHFFFAOYSA-N 0 0 435.502 -0.346 20 30 IBEDRN Cn1c(=O)c(=Cc2cccc([N+](=O)[O-])c2)sc1=C(C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000488140239 1072740482 /nfs/dbraw/zinc/74/04/82/1072740482.db2.gz DTPLOAMAQHKQSH-UHFFFAOYSA-N 0 0 448.482 -0.885 20 30 IBEDRN CCn1c(=O)c(=Cc2cccc(C)c2)sc1=C(C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000488140262 1072740538 /nfs/dbraw/zinc/74/05/38/1072740538.db2.gz DYTWSLKEZCKJHR-UHFFFAOYSA-N 0 0 431.539 -0.002 20 30 IBEDRN Cc1ccc(C=c2sc(=C(C#N)C(=O)N3CCS(=O)(=O)CC3)n(C3CC3)c2=O)o1 ZINC000488141720 1072740447 /nfs/dbraw/zinc/74/04/47/1072740447.db2.gz HNFBAURVERNPSR-UHFFFAOYSA-N 0 0 433.511 -0.094 20 30 IBEDRN COc1cccc(C=c2sc(=C(C#N)C(=O)N3CCS(=O)(=O)CC3)n(C)c2=O)c1 ZINC000488142387 1073582574 /nfs/dbraw/zinc/58/25/74/1073582574.db2.gz IARPSEPHJGFAFB-UHFFFAOYSA-N 0 0 433.511 -0.785 20 30 IBEDRN C=CCn1c(=O)c(=Cc2ccc(F)cc2)sc1=C(C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000488143311 1073582666 /nfs/dbraw/zinc/58/26/66/1073582666.db2.gz JXPPQBNKWIMBDM-UHFFFAOYSA-N 0 0 447.513 -0.005 20 30 IBEDRN Cn1c(=O)c(=Cc2ccc(Cl)s2)sc1=C(C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000488146213 1072743003 /nfs/dbraw/zinc/74/30/03/1072743003.db2.gz OQBULVMCLCVNIJ-UHFFFAOYSA-N 0 0 443.959 -0.078 20 30 IBEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)N3CCS(=O)(=O)CC3)n(C)c2=O)cc1 ZINC000488146897 1072743078 /nfs/dbraw/zinc/74/30/78/1072743078.db2.gz PFOKUEQDJJHROC-UHFFFAOYSA-N 0 0 433.511 -0.785 20 30 IBEDRN Cn1c(=O)c(=Cc2ccc([N+](=O)[O-])cc2)sc1=C(C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000488146953 1073582631 /nfs/dbraw/zinc/58/26/31/1073582631.db2.gz QAHMTMKUKXWWDC-UHFFFAOYSA-N 0 0 448.482 -0.885 20 30 IBEDRN CCn1c(=O)c(=Cc2ccc(C)cc2)sc1=C(C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000488148685 1072743036 /nfs/dbraw/zinc/74/30/36/1072743036.db2.gz SJRQJVTXRWMXTR-UHFFFAOYSA-N 0 0 431.539 -0.002 20 30 IBEDRN Cc1cc(F)ccc1C=c1sc(=C(C#N)C(=O)N2CCS(=O)(=O)CC2)n(C)c1=O ZINC000488149188 1072743096 /nfs/dbraw/zinc/74/30/96/1072743096.db2.gz SNLFDSUSXBNNBU-UHFFFAOYSA-N 0 0 435.502 -0.346 20 30 IBEDRN Cc1cccc(C=c2sc(=C(C#N)C(=O)N3CCS(=O)(=O)CC3)n(C)c2=O)c1C ZINC000488149257 1072743072 /nfs/dbraw/zinc/74/30/72/1072743072.db2.gz SVGBFMAQLSCNKE-UHFFFAOYSA-N 0 0 431.539 -0.176 20 30 IBEDRN CCCn1c(=O)c(=Cc2ccccn2)sc1=C(C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000488149291 1072743062 /nfs/dbraw/zinc/74/30/62/1072743062.db2.gz SZYUJXGQYXHQNA-UHFFFAOYSA-N 0 0 432.527 -0.525 20 30 IBEDRN CCCn1c(=O)c(=Cc2ccc(C)o2)sc1=C(C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000488150537 1072743017 /nfs/dbraw/zinc/74/30/17/1072743017.db2.gz VQSJNVICOWNABP-UHFFFAOYSA-N 0 0 435.527 -0.019 20 30 IBEDRN C=CCn1c(=O)c(=Cc2cccc(F)c2)sc1=C(C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000488151202 1073582615 /nfs/dbraw/zinc/58/26/15/1073582615.db2.gz XDVPUUNARJFCNW-UHFFFAOYSA-N 0 0 447.513 -0.005 20 30 IBEDRN C=CCn1c(=O)c(=Cc2ccc(C)o2)sc1=C(C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000488151414 1073582581 /nfs/dbraw/zinc/58/25/81/1073582581.db2.gz XQHYSRMCPZTXRB-UHFFFAOYSA-N 0 0 433.511 -0.243 20 30 IBEDRN Cc1cc(C)cc(C=c2sc(=C(C#N)C(=O)N3CCS(=O)(=O)CC3)n(C)c2=O)c1 ZINC000488151926 1072743052 /nfs/dbraw/zinc/74/30/52/1072743052.db2.gz ZDHIGBOCKYPBHB-UHFFFAOYSA-N 0 0 431.539 -0.176 20 30 IBEDRN CCCn1c(=O)c(=Cc2ccncc2)sc1=C(C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000488152277 1072743044 /nfs/dbraw/zinc/74/30/44/1072743044.db2.gz ZXUARRNKULBMEJ-UHFFFAOYSA-N 0 0 432.527 -0.525 20 30 IBEDRN COCCNC(=O)CN1CCN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 ZINC000488262438 1073584636 /nfs/dbraw/zinc/58/46/36/1073584636.db2.gz GLEXDSRULNRQKT-IBGZPJMESA-N 0 0 442.520 -0.251 20 30 IBEDRN COCCNC(=O)CN1CCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 ZINC000488262442 1073584544 /nfs/dbraw/zinc/58/45/44/1073584544.db2.gz GLEXDSRULNRQKT-LJQANCHMSA-N 0 0 442.520 -0.251 20 30 IBEDRN N#Cc1ccc(CN2CC[C@H](NC(=O)N3CCN(C(=O)Cn4cnnn4)CC3)C2=O)cc1 ZINC000488264295 1073584531 /nfs/dbraw/zinc/58/45/31/1073584531.db2.gz NTLZNUDHJZVFRE-KRWDZBQOSA-N 0 0 437.464 -0.800 20 30 IBEDRN N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CCN(C(=O)Cn4cnnn4)CC3)C2=O)cc1 ZINC000488264308 1073584402 /nfs/dbraw/zinc/58/44/02/1073584402.db2.gz NTLZNUDHJZVFRE-QGZVFWFLSA-N 0 0 437.464 -0.800 20 30 IBEDRN COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)C(=O)Nc2ccn(CCC#N)n2)C1 ZINC000488613906 1073588151 /nfs/dbraw/zinc/58/81/51/1073588151.db2.gz YFEGHXXGCGCBSN-AWEZNQCLSA-N 0 0 426.499 -0.366 20 30 IBEDRN COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2ccn(CCC#N)n2)C1 ZINC000488613907 1073588345 /nfs/dbraw/zinc/58/83/45/1073588345.db2.gz YFEGHXXGCGCBSN-CQSZACIVSA-N 0 0 426.499 -0.366 20 30 IBEDRN COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)C(=O)Nc2cc(C)n(CCC#N)n2)C1 ZINC000488649830 1073590385 /nfs/dbraw/zinc/59/03/85/1073590385.db2.gz XTJZZAKLHOJDQI-HNNXBMFYSA-N 0 0 440.526 -0.057 20 30 IBEDRN COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2cc(C)n(CCC#N)n2)C1 ZINC000488649837 1073590498 /nfs/dbraw/zinc/59/04/98/1073590498.db2.gz XTJZZAKLHOJDQI-OAHLLOKOSA-N 0 0 440.526 -0.057 20 30 IBEDRN COc1ncc(NC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1C(N)=O ZINC000488682730 1073592031 /nfs/dbraw/zinc/59/20/31/1073592031.db2.gz YBOFVWJTNMQIGY-INIZCTEOSA-N 0 0 436.428 -0.083 20 30 IBEDRN COc1ncc(NC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1C(N)=O ZINC000488682731 1073592019 /nfs/dbraw/zinc/59/20/19/1073592019.db2.gz YBOFVWJTNMQIGY-MRXNPFEDSA-N 0 0 436.428 -0.083 20 30 IBEDRN Cn1c2ncc(S(=O)(=O)N3CCN(c4ncccc4C#N)CC3)cc2c(=O)[nH]c1=O ZINC000488829768 1073594597 /nfs/dbraw/zinc/59/45/97/1073594597.db2.gz ZEIAFGCMQSARBH-UHFFFAOYSA-N 0 0 427.446 -0.188 20 30 IBEDRN CN1CCN(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(F)c(C#N)c3)CC2)CC1 ZINC000488888227 1073596343 /nfs/dbraw/zinc/59/63/43/1073596343.db2.gz GRMWWKUZLQSBCL-UHFFFAOYSA-N 0 0 431.515 -0.504 20 30 IBEDRN Cn1c2ncc(S(=O)(=O)N3CCN(c4ccc(C#N)cn4)CC3)cc2c(=O)[nH]c1=O ZINC000488922794 1073597155 /nfs/dbraw/zinc/59/71/55/1073597155.db2.gz YZZVNXAAIUBPBN-UHFFFAOYSA-N 0 0 427.446 -0.188 20 30 IBEDRN Cn1nccc1C=c1sc(=C(C#N)C(=O)[C@H]2CCOC2)n(-c2ccc(C(N)=O)cc2)c1=O ZINC000488972451 1073365657 /nfs/dbraw/zinc/36/56/57/1073365657.db2.gz GDSMIGIYRWVLOR-AWEZNQCLSA-N 0 0 449.492 -0.160 20 30 IBEDRN Cn1nccc1C=c1sc(=C(C#N)C(=O)[C@@H]2CCOC2)n(-c2ccc(C(N)=O)cc2)c1=O ZINC000488972459 1073365446 /nfs/dbraw/zinc/36/54/46/1073365446.db2.gz GDSMIGIYRWVLOR-CQSZACIVSA-N 0 0 449.492 -0.160 20 30 IBEDRN CS(=O)(=O)NCCn1c(=O)c(=Cc2ccccc2)sc1=C(C#N)C(=O)[C@H]1CCOC1 ZINC000488982055 1073366227 /nfs/dbraw/zinc/36/62/27/1073366227.db2.gz NHSSQTNVINIBGS-HNNXBMFYSA-N 0 0 447.538 -0.432 20 30 IBEDRN CS(=O)(=O)NCCn1c(=O)c(=Cc2ccccc2)sc1=C(C#N)C(=O)[C@@H]1CCOC1 ZINC000488982088 1073366363 /nfs/dbraw/zinc/36/63/63/1073366363.db2.gz NHSSQTNVINIBGS-OAHLLOKOSA-N 0 0 447.538 -0.432 20 30 IBEDRN COC(=O)CCCn1c(=O)c(=Cc2ccnn2C)sc1=C(C#N)C(=O)[C@@H]1CCOC1 ZINC000488986449 1073598234 /nfs/dbraw/zinc/59/82/34/1073598234.db2.gz SBJVXWGRGRQVQJ-CYBMUJFWSA-N 0 0 430.486 -0.295 20 30 IBEDRN COC(=O)CCCn1c(=O)c(=Cc2ccnn2C)sc1=C(C#N)C(=O)[C@H]1CCOC1 ZINC000488986450 1073597986 /nfs/dbraw/zinc/59/79/86/1073597986.db2.gz SBJVXWGRGRQVQJ-ZDUSSCGKSA-N 0 0 430.486 -0.295 20 30 IBEDRN COC(=O)[C@@H]1CN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCO1 ZINC000489029854 1073599209 /nfs/dbraw/zinc/59/92/09/1073599209.db2.gz CLHSMMUJCSJEBK-INIZCTEOSA-N 0 0 436.490 -0.735 20 30 IBEDRN COC(=O)[C@H]1CN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCO1 ZINC000489029856 1073599431 /nfs/dbraw/zinc/59/94/31/1073599431.db2.gz CLHSMMUJCSJEBK-MRXNPFEDSA-N 0 0 436.490 -0.735 20 30 IBEDRN N#CC(C(=O)[C@H]1CCOC1)=c1sc(=Cc2ccccn2)c(=O)n1CCN1CCOCC1 ZINC000489035493 1073366153 /nfs/dbraw/zinc/36/61/53/1073366153.db2.gz FEFOGZBWWFYIPX-INIZCTEOSA-N 0 0 440.525 -0.254 20 30 IBEDRN N#CC(C(=O)[C@@H]1CCOC1)=c1sc(=Cc2ccccn2)c(=O)n1CCN1CCOCC1 ZINC000489035494 1073366353 /nfs/dbraw/zinc/36/63/53/1073366353.db2.gz FEFOGZBWWFYIPX-MRXNPFEDSA-N 0 0 440.525 -0.254 20 30 IBEDRN N#CC(C(=O)[C@H]1CCOC1)=c1sc(=Cc2ccco2)c(=O)n1CCN1CCOCC1 ZINC000489037944 1073366266 /nfs/dbraw/zinc/36/62/66/1073366266.db2.gz JHRLVAAMRYBGEZ-HNNXBMFYSA-N 0 0 429.498 -0.056 20 30 IBEDRN N#CC(C(=O)[C@@H]1CCOC1)=c1sc(=Cc2ccco2)c(=O)n1CCN1CCOCC1 ZINC000489037945 1073366377 /nfs/dbraw/zinc/36/63/77/1073366377.db2.gz JHRLVAAMRYBGEZ-OAHLLOKOSA-N 0 0 429.498 -0.056 20 30 IBEDRN N#CC(C(=O)[C@H]1CCOC1)=c1sc(=Cc2ccncc2)c(=O)n1CCN1CCOCC1 ZINC000489037951 1073366704 /nfs/dbraw/zinc/36/67/04/1073366704.db2.gz JIXUCJPKZCHPBH-KRWDZBQOSA-N 0 0 440.525 -0.254 20 30 IBEDRN N#CC(C(=O)[C@@H]1CCOC1)=c1sc(=Cc2ccncc2)c(=O)n1CCN1CCOCC1 ZINC000489037952 1073366635 /nfs/dbraw/zinc/36/66/35/1073366635.db2.gz JIXUCJPKZCHPBH-QGZVFWFLSA-N 0 0 440.525 -0.254 20 30 IBEDRN N#CC(C(=O)[C@H]1CCOC1)=c1sc(=Cc2cscn2)c(=O)n1CCN1CCOCC1 ZINC000489041053 1073366625 /nfs/dbraw/zinc/36/66/25/1073366625.db2.gz NIGOBMAQSXJYFS-AWEZNQCLSA-N 0 0 446.554 -0.193 20 30 IBEDRN N#CC(C(=O)[C@@H]1CCOC1)=c1sc(=Cc2cscn2)c(=O)n1CCN1CCOCC1 ZINC000489041058 1073366745 /nfs/dbraw/zinc/36/67/45/1073366745.db2.gz NIGOBMAQSXJYFS-CQSZACIVSA-N 0 0 446.554 -0.193 20 30 IBEDRN CCn1c(=O)c(=Cc2cccc(OC)c2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000489064710 1073600628 /nfs/dbraw/zinc/60/06/28/1073600628.db2.gz FJGRPTZAIKYFFM-UHFFFAOYSA-N 0 0 442.541 -0.110 20 30 IBEDRN C=CCCCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000489068547 1073600659 /nfs/dbraw/zinc/60/06/59/1073600659.db2.gz FYWDPOUMBZEAIW-UHFFFAOYSA-N 0 0 437.565 -0.064 20 30 IBEDRN Cc1ncc(S(=O)(=O)N2CCN(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)cc1C#N ZINC000489102062 1073601210 /nfs/dbraw/zinc/60/12/10/1073601210.db2.gz MNRHRSOGXYVZOZ-KBPBESRZSA-N 0 0 443.551 -0.078 20 30 IBEDRN Cc1ncc(S(=O)(=O)N2CCN(S(=O)(=O)N3C[C@@H](C)O[C@@H](C)C3)CC2)cc1C#N ZINC000489102063 1073601103 /nfs/dbraw/zinc/60/11/03/1073601103.db2.gz MNRHRSOGXYVZOZ-OKILXGFUSA-N 0 0 443.551 -0.078 20 30 IBEDRN Cc1ncc(S(=O)(=O)N2CCN(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)cc1C#N ZINC000489102064 1073601071 /nfs/dbraw/zinc/60/10/71/1073601071.db2.gz MNRHRSOGXYVZOZ-ZIAGYGMSSA-N 0 0 443.551 -0.078 20 30 IBEDRN Cc1ncc(S(=O)(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)cc1C#N ZINC000489111625 1073601237 /nfs/dbraw/zinc/60/12/37/1073601237.db2.gz ACFWMRDBRRLUMG-UHFFFAOYSA-N 0 0 428.540 -0.940 20 30 IBEDRN CN1CCN(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)c(F)c3)CC2)CC1 ZINC000489119572 1073602009 /nfs/dbraw/zinc/60/20/09/1073602009.db2.gz WRQMIBYQXMJTAO-UHFFFAOYSA-N 0 0 431.515 -0.504 20 30 IBEDRN Cc1ncc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)cc1C#N ZINC000489124876 1073601173 /nfs/dbraw/zinc/60/11/73/1073601173.db2.gz QVNNJLZRALYJJK-UHFFFAOYSA-N 0 0 439.475 -0.351 20 30 IBEDRN COc1cccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C)c2=O)c1 ZINC000489130168 1073187767 /nfs/dbraw/zinc/18/77/67/1073187767.db2.gz QDYJMMVEJZDXQJ-UHFFFAOYSA-N 0 0 428.514 -0.593 20 30 IBEDRN COc1ccccc1C=c1sc(=C(C#N)C(=O)NCCN2CCOCC2)n(C)c1=O ZINC000489170822 1073603132 /nfs/dbraw/zinc/60/31/32/1073603132.db2.gz MTECYWJCFPWQDF-UHFFFAOYSA-N 0 0 428.514 -0.593 20 30 IBEDRN Cc1nc(S(=O)(=O)NCC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cn1C ZINC000489178366 1073603340 /nfs/dbraw/zinc/60/33/40/1073603340.db2.gz NBVKJTLKLCIFTQ-INIZCTEOSA-N 0 0 430.490 -0.204 20 30 IBEDRN Cc1nc(S(=O)(=O)NCC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cn1C ZINC000489178367 1073603314 /nfs/dbraw/zinc/60/33/14/1073603314.db2.gz NBVKJTLKLCIFTQ-MRXNPFEDSA-N 0 0 430.490 -0.204 20 30 IBEDRN N#Cc1ccc(CN2CC[C@H](NC(=O)[C@H]3CC(=O)N(CCN4CCOCC4)C3)C2=O)cc1 ZINC000489178427 1073603323 /nfs/dbraw/zinc/60/33/23/1073603323.db2.gz ADPLWHUATFJLMA-PMACEKPBSA-N 0 0 439.516 -0.044 20 30 IBEDRN N#Cc1ccc(CN2CC[C@H](NC(=O)[C@@H]3CC(=O)N(CCN4CCOCC4)C3)C2=O)cc1 ZINC000489178433 1073603244 /nfs/dbraw/zinc/60/32/44/1073603244.db2.gz ADPLWHUATFJLMA-UXHICEINSA-N 0 0 439.516 -0.044 20 30 IBEDRN N#Cc1ccc(CN2CC[C@@H](NC(=O)[C@H]3CC(=O)N(CCN4CCOCC4)C3)C2=O)cc1 ZINC000489178435 1073603179 /nfs/dbraw/zinc/60/31/79/1073603179.db2.gz ADPLWHUATFJLMA-VQTJNVASSA-N 0 0 439.516 -0.044 20 30 IBEDRN N#Cc1ccc(CN2CC[C@@H](NC(=O)[C@@H]3CC(=O)N(CCN4CCOCC4)C3)C2=O)cc1 ZINC000489178436 1073603098 /nfs/dbraw/zinc/60/30/98/1073603098.db2.gz ADPLWHUATFJLMA-WOJBJXKFSA-N 0 0 439.516 -0.044 20 30 IBEDRN CCn1c(=O)c(=Cc2ccccc2OC)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000489178715 1073603884 /nfs/dbraw/zinc/60/38/84/1073603884.db2.gz LOYSNVTURXHEIU-UHFFFAOYSA-N 0 0 442.541 -0.110 20 30 IBEDRN CCc1ccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C)c2=O)cc1 ZINC000489181227 1073603900 /nfs/dbraw/zinc/60/39/00/1073603900.db2.gz UURKJTTWQAWTNN-UHFFFAOYSA-N 0 0 426.542 -0.039 20 30 IBEDRN C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000489186598 1073604640 /nfs/dbraw/zinc/60/46/40/1073604640.db2.gz SSAUNPARVUNGJB-CXAGYDPISA-N 0 0 430.490 -0.124 20 30 IBEDRN C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000489186600 1073604823 /nfs/dbraw/zinc/60/48/23/1073604823.db2.gz SSAUNPARVUNGJB-DYVFJYSZSA-N 0 0 430.490 -0.124 20 30 IBEDRN C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000489186601 1073604533 /nfs/dbraw/zinc/60/45/33/1073604533.db2.gz SSAUNPARVUNGJB-GUYCJALGSA-N 0 0 430.490 -0.124 20 30 IBEDRN C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000489186604 1073604625 /nfs/dbraw/zinc/60/46/25/1073604625.db2.gz SSAUNPARVUNGJB-SUMWQHHRSA-N 0 0 430.490 -0.124 20 30 IBEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(C(=O)OC)cc3)c(=O)n2C)CC1 ZINC000489196874 1073603966 /nfs/dbraw/zinc/60/39/66/1073603966.db2.gz OBEYXYVDAFSLOY-UHFFFAOYSA-N 0 0 440.525 -0.099 20 30 IBEDRN Cn1c(=O)c(=Cc2ccc3ncccc3c2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000489199275 1073604506 /nfs/dbraw/zinc/60/45/06/1073604506.db2.gz XJINIYMAWUCFHH-UHFFFAOYSA-N 0 0 449.536 -0.054 20 30 IBEDRN N#Cc1ccc(CN2CC[C@H](NC(=O)[C@H]3CC(=O)N([C@H]4CCS(=O)(=O)C4)C3)C2=O)cc1 ZINC000489256120 1073607160 /nfs/dbraw/zinc/60/71/60/1073607160.db2.gz ORUXBRPMHBPWKR-BZSNNMDCSA-N 0 0 444.513 -0.189 20 30 IBEDRN N#Cc1ccc(CN2CC[C@H](NC(=O)[C@H]3CC(=O)N([C@@H]4CCS(=O)(=O)C4)C3)C2=O)cc1 ZINC000489256123 1073607248 /nfs/dbraw/zinc/60/72/48/1073607248.db2.gz ORUXBRPMHBPWKR-KSZLIROESA-N 0 0 444.513 -0.189 20 30 IBEDRN N#Cc1ccc(CN2CC[C@H](NC(=O)[C@@H]3CC(=O)N([C@@H]4CCS(=O)(=O)C4)C3)C2=O)cc1 ZINC000489256126 1073607141 /nfs/dbraw/zinc/60/71/41/1073607141.db2.gz ORUXBRPMHBPWKR-KURKYZTESA-N 0 0 444.513 -0.189 20 30 IBEDRN N#Cc1ccc(CN2CC[C@H](NC(=O)[C@@H]3CC(=O)N([C@H]4CCS(=O)(=O)C4)C3)C2=O)cc1 ZINC000489256129 1073607363 /nfs/dbraw/zinc/60/73/63/1073607363.db2.gz ORUXBRPMHBPWKR-SQNIBIBYSA-N 0 0 444.513 -0.189 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(S(=O)(=O)N(CCC)CCC)CC2)C1=O ZINC000489396610 1073611026 /nfs/dbraw/zinc/61/10/26/1073611026.db2.gz WOMQRYGFGGEMFV-UHFFFAOYSA-N 0 0 443.526 -0.526 20 30 IBEDRN CS(=O)(=O)N1CC(CNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 ZINC000489469532 1073613746 /nfs/dbraw/zinc/61/37/46/1073613746.db2.gz DIAYSJLEMDDXQV-UHFFFAOYSA-N 0 0 441.535 -0.534 20 30 IBEDRN Cc1ncc(S(=O)(=O)NC2CCN(S(=O)(=O)N3CCOCC3)CC2)cc1C#N ZINC000489490584 1073614491 /nfs/dbraw/zinc/61/44/91/1073614491.db2.gz BMQYEKQNVRBJOV-UHFFFAOYSA-N 0 0 429.524 -0.419 20 30 IBEDRN CS(=O)(=O)N1CC(CNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 ZINC000489519636 1073615212 /nfs/dbraw/zinc/61/52/12/1073615212.db2.gz HTBZEJSGKGDNNI-UHFFFAOYSA-N 0 0 441.535 -0.534 20 30 IBEDRN Cn1c(=O)c(=Cc2ccc(F)c(F)c2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000489647860 1073621042 /nfs/dbraw/zinc/62/10/42/1073621042.db2.gz KITCLRYBQGZZLY-UHFFFAOYSA-N 0 0 434.468 -0.324 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2nc3cc(OC)ccc3n2C)CC1 ZINC000489942454 1073623817 /nfs/dbraw/zinc/62/38/17/1073623817.db2.gz OZRKDMXLZQSHPT-UHFFFAOYSA-N 0 0 428.493 -0.356 20 30 IBEDRN N#Cc1ccc(NC(=O)C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)cc1C(F)(F)F ZINC000490032866 1073625142 /nfs/dbraw/zinc/62/51/42/1073625142.db2.gz LCEGLJIYHDYKFA-UHFFFAOYSA-N 0 0 436.354 -0.127 20 30 IBEDRN N#CCCSc1ccccc1NC(=O)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1 ZINC000490056425 1073627641 /nfs/dbraw/zinc/62/76/41/1073627641.db2.gz GJIRSPRIWAWQHP-UHFFFAOYSA-N 0 0 428.478 -0.012 20 30 IBEDRN N#CCCCOc1cccc(NC(=O)C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)c1 ZINC000490063931 1073628310 /nfs/dbraw/zinc/62/83/10/1073628310.db2.gz SKNXFSHGKLVAPB-UHFFFAOYSA-N 0 0 426.437 -0.335 20 30 IBEDRN O=C(Cn1cnnn1)N1CCN(C(=O)C(=O)Nc2cccc(C#Cc3ccccn3)c2)CC1 ZINC000490064631 1073628396 /nfs/dbraw/zinc/62/83/96/1073628396.db2.gz QFEWZGOHIWCCSJ-UHFFFAOYSA-N 0 0 444.455 -0.223 20 30 IBEDRN C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)cc1 ZINC000490071407 1073628931 /nfs/dbraw/zinc/62/89/31/1073628931.db2.gz JTJLIRUEIXBJSI-UHFFFAOYSA-N 0 0 441.452 -0.710 20 30 IBEDRN CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1 ZINC000490072490 1073629484 /nfs/dbraw/zinc/62/94/84/1073629484.db2.gz NEQFRZGESVUZIR-UHFFFAOYSA-N 0 0 426.437 -0.359 20 30 IBEDRN N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)c1 ZINC000490075958 1073629582 /nfs/dbraw/zinc/62/95/82/1073629582.db2.gz YUNAUSKTACNQBO-UHFFFAOYSA-N 0 0 434.363 -0.544 20 30 IBEDRN O=C(NCC#Cc1ccccc1)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000490106716 1073631402 /nfs/dbraw/zinc/63/14/02/1073631402.db2.gz TXYZDHQDQXRULE-UHFFFAOYSA-N 0 0 440.481 -0.087 20 30 IBEDRN CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)Cn3c(N)nc(C#N)c3C#N)CC2)cc1 ZINC000490148380 1073356111 /nfs/dbraw/zinc/35/61/11/1073356111.db2.gz DNLUKUREMIECJC-UHFFFAOYSA-N 0 0 441.473 -0.056 20 30 IBEDRN CN(CCN1CCOCC1)CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000490155799 1073632674 /nfs/dbraw/zinc/63/26/74/1073632674.db2.gz FYDLIQHCEAEUCZ-UHFFFAOYSA-N 0 0 435.550 -0.345 20 30 IBEDRN COCCN(CCOC)S(=O)(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000490171439 1073635386 /nfs/dbraw/zinc/63/53/86/1073635386.db2.gz DEFJSGPADPJDON-UHFFFAOYSA-N 0 0 446.551 -0.296 20 30 IBEDRN COCCN(CCOC)S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000490171462 1073635430 /nfs/dbraw/zinc/63/54/30/1073635430.db2.gz DNBAHNSSISMVPU-UHFFFAOYSA-N 0 0 446.551 -0.296 20 30 IBEDRN CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000490264188 1073638940 /nfs/dbraw/zinc/63/89/40/1073638940.db2.gz XGINZQRQHFBCEG-KRWDZBQOSA-N 0 0 449.533 -0.391 20 30 IBEDRN CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000490264189 1073638854 /nfs/dbraw/zinc/63/88/54/1073638854.db2.gz XGINZQRQHFBCEG-QGZVFWFLSA-N 0 0 449.533 -0.391 20 30 IBEDRN N#Cc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)c(Cl)c1 ZINC000490353655 1073641872 /nfs/dbraw/zinc/64/18/72/1073641872.db2.gz NZVKERIDKYMOQJ-UHFFFAOYSA-N 0 0 441.897 -0.129 20 30 IBEDRN N#Cc1ccc(NC(=O)C(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)c(Cl)c1 ZINC000490366434 1073640676 /nfs/dbraw/zinc/64/06/76/1073640676.db2.gz AJBCDVWUUXVWSY-UHFFFAOYSA-N 0 0 431.836 -0.030 20 30 IBEDRN COc1ccc(C#N)cc1NC(=O)C(=O)N1CCN([C@@H](C)C(=O)N2CCOCC2)CC1 ZINC000490407014 1073645601 /nfs/dbraw/zinc/64/56/01/1073645601.db2.gz IKOVSYNDHTYUFV-HNNXBMFYSA-N 0 0 429.477 -0.103 20 30 IBEDRN COc1ccc(C#N)cc1NC(=O)C(=O)N1CCN([C@H](C)C(=O)N2CCOCC2)CC1 ZINC000490407024 1073646087 /nfs/dbraw/zinc/64/60/87/1073646087.db2.gz IKOVSYNDHTYUFV-OAHLLOKOSA-N 0 0 429.477 -0.103 20 30 IBEDRN N#Cc1ccc(NC(=O)C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)c(Cl)c1 ZINC000490418198 1073646880 /nfs/dbraw/zinc/64/68/80/1073646880.db2.gz ZNBBIHZCNVINLA-UHFFFAOYSA-N 0 0 433.852 -0.320 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(CC(=O)N(C)C3CCCCC3)CC2)C1=O ZINC000490612259 1073655562 /nfs/dbraw/zinc/65/55/62/1073655562.db2.gz VFXQXMXLUUERSN-UHFFFAOYSA-N 0 0 433.509 -0.102 20 30 IBEDRN CC(C)NC(=O)CN1CCN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)CC1 ZINC000490748996 1073318375 /nfs/dbraw/zinc/31/83/75/1073318375.db2.gz AFKMSRWCJLIOQF-UHFFFAOYSA-N 0 0 438.492 -0.195 20 30 IBEDRN CCS(=O)(=O)N(C)CCCNC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 ZINC000490760693 1073344683 /nfs/dbraw/zinc/34/46/83/1073344683.db2.gz QUSSZKLOVZJIKI-UHFFFAOYSA-N 0 0 433.494 -0.076 20 30 IBEDRN N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCN(C(=O)[C@@H]4CCCO4)CC3)n2)cc1 ZINC000490805730 1073661936 /nfs/dbraw/zinc/66/19/36/1073661936.db2.gz WJCJVNUTDZICLW-KRWDZBQOSA-N 0 0 437.460 -0.014 20 30 IBEDRN N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCN(C(=O)[C@H]4CCCO4)CC3)n2)cc1 ZINC000490805731 1073662836 /nfs/dbraw/zinc/66/28/36/1073662836.db2.gz WJCJVNUTDZICLW-QGZVFWFLSA-N 0 0 437.460 -0.014 20 30 IBEDRN CS(=O)(=O)N1CCCN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)CC1 ZINC000490814221 1073350813 /nfs/dbraw/zinc/35/08/13/1073350813.db2.gz UPBWNFWVUUGVOE-UHFFFAOYSA-N 0 0 431.478 -0.370 20 30 IBEDRN N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCN(CC(=O)NC4CC4)CC3)n2)cc1 ZINC000490830563 1074353952 /nfs/dbraw/zinc/35/39/52/1074353952.db2.gz WZXABUNJNWXNAK-UHFFFAOYSA-N 0 0 436.476 -0.441 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(CC)c(S(N)(=O)=O)c2)CC1 ZINC000491018730 1073668651 /nfs/dbraw/zinc/66/86/51/1073668651.db2.gz LOXJBZMLFDOFFW-UHFFFAOYSA-N 0 0 437.522 -0.719 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(S(=O)(=O)NC)ccc2C)CC1 ZINC000491023805 1073669285 /nfs/dbraw/zinc/66/92/85/1073669285.db2.gz ZBZPBUZEYQWLEL-UHFFFAOYSA-N 0 0 437.522 -0.712 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(CN3C(=O)CCC3=O)cc2)CC1 ZINC000491033692 1073669231 /nfs/dbraw/zinc/66/92/31/1073669231.db2.gz HYOBZWKLVUGCHQ-UHFFFAOYSA-N 0 0 441.488 -0.280 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cccc(-n3nnnc3SC)c2)CC1 ZINC000491036829 1073669143 /nfs/dbraw/zinc/66/91/43/1073669143.db2.gz OPYHRAMLPKWUFG-UHFFFAOYSA-N 0 0 444.521 -0.231 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(C)c(S(=O)(=O)NC)c2)CC1 ZINC000491043519 1073669781 /nfs/dbraw/zinc/66/97/81/1073669781.db2.gz BASWNMSJYIHQEL-UHFFFAOYSA-N 0 0 437.522 -0.712 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccccc2CN2C(=O)CCC2=O)CC1 ZINC000491050584 1073670455 /nfs/dbraw/zinc/67/04/55/1073670455.db2.gz MSCRJFDDDCHGGS-UHFFFAOYSA-N 0 0 441.488 -0.280 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cccc(Cn3cccnc3=O)c2)CC1 ZINC000491052473 1073670609 /nfs/dbraw/zinc/67/06/09/1073670609.db2.gz QOWOIJOQQMMKNA-UHFFFAOYSA-N 0 0 438.488 -0.324 20 30 IBEDRN C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCN(CC(=O)NCCOC)CC2)cc1 ZINC000491055052 1073670566 /nfs/dbraw/zinc/67/05/66/1073670566.db2.gz WGGXNBOWTIQDAQ-UHFFFAOYSA-N 0 0 446.508 -0.161 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(S(C)(=O)=O)ccc2F)CC1 ZINC000491074617 1073669180 /nfs/dbraw/zinc/66/91/80/1073669180.db2.gz ATIIWKBTOMTCPR-UHFFFAOYSA-N 0 0 426.470 -0.386 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)CC1 ZINC000491083491 1073669929 /nfs/dbraw/zinc/66/99/29/1073669929.db2.gz XQOZGTIEFFJXRF-UHFFFAOYSA-N 0 0 443.504 -0.456 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cccc(OCC(=O)NCC)c2)CC1 ZINC000491084063 1073669814 /nfs/dbraw/zinc/66/98/14/1073669814.db2.gz YUJAROVNSIXPLW-UHFFFAOYSA-N 0 0 431.493 -0.414 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cccc(CS(C)(=O)=O)c2C)CC1 ZINC000491084287 1073669990 /nfs/dbraw/zinc/66/99/90/1073669990.db2.gz QLOQYRYWLSSSJM-UHFFFAOYSA-N 0 0 436.534 -0.075 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(OC)c(-n3cnnn3)c2)CC1 ZINC000491086123 1073671197 /nfs/dbraw/zinc/67/11/97/1073671197.db2.gz SVTROTAUEIIJTK-UHFFFAOYSA-N 0 0 428.453 -0.944 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(CNS(C)(=O)=O)cc2)CC1 ZINC000491087394 1073671238 /nfs/dbraw/zinc/67/12/38/1073671238.db2.gz VSQSAPLDWBVSDK-UHFFFAOYSA-N 0 0 437.522 -0.879 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(C(=O)OC)c(C(=O)OC)c2)CC1 ZINC000491088154 1073671191 /nfs/dbraw/zinc/67/11/91/1073671191.db2.gz WQQYUMMTLLBFQO-UHFFFAOYSA-N 0 0 446.460 -0.355 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(CCN3CCOCC3)cc2)CC1 ZINC000491100137 1073671779 /nfs/dbraw/zinc/67/17/79/1073671779.db2.gz HRSGYJQGXUVGGJ-UHFFFAOYSA-N 0 0 443.548 -0.054 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cccc(N3CCCS3(=O)=O)c2)CC1 ZINC000491100707 1073671962 /nfs/dbraw/zinc/67/19/62/1073671962.db2.gz IPKXFDVBLWWMSB-UHFFFAOYSA-N 0 0 449.533 -0.389 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(OC)c(-n3nnnc3C)c2)CC1 ZINC000491101340 1073671714 /nfs/dbraw/zinc/67/17/14/1073671714.db2.gz JKLDAXNGHJAZKK-UHFFFAOYSA-N 0 0 442.480 -0.636 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(F)c(-n3nnnc3C)c2)CC1 ZINC000491104150 1073672423 /nfs/dbraw/zinc/67/24/23/1073672423.db2.gz NCNWNHQFHSVNDG-UHFFFAOYSA-N 0 0 430.444 -0.505 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(OCC(=O)OC)cc2C)CC1 ZINC000491112483 1073671283 /nfs/dbraw/zinc/67/12/83/1073671283.db2.gz YENZGDPYMVLGHK-UHFFFAOYSA-N 0 0 432.477 -0.068 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(OCC(=O)N(C)C)cc2)CC1 ZINC000491143513 1073672317 /nfs/dbraw/zinc/67/23/17/1073672317.db2.gz JPRBXDBPIXZGNM-UHFFFAOYSA-N 0 0 431.493 -0.462 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccccc2CN2CCOCC2)CC1 ZINC000491147986 1073673080 /nfs/dbraw/zinc/67/30/80/1073673080.db2.gz PFUPSPAHUHVAGE-UHFFFAOYSA-N 0 0 429.521 -0.096 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)CC1 ZINC000491150363 1073673214 /nfs/dbraw/zinc/67/32/14/1073673214.db2.gz TVROFOUBCACTIC-UHFFFAOYSA-N 0 0 449.533 -0.389 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)CC1 ZINC000491153382 1073673883 /nfs/dbraw/zinc/67/38/83/1073673883.db2.gz DIKZLYWXNMHDBF-UHFFFAOYSA-N 0 0 440.504 -0.131 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccccc2S(=O)(=O)N(C)C)CC1 ZINC000491154157 1073673821 /nfs/dbraw/zinc/67/38/21/1073673821.db2.gz GSRZWSVYGVNYAP-UHFFFAOYSA-N 0 0 437.522 -0.678 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(C(=O)N(C)C)ccc2OC)CC1 ZINC000491156308 1073673900 /nfs/dbraw/zinc/67/39/00/1073673900.db2.gz NCNCRISMTZCODW-UHFFFAOYSA-N 0 0 431.493 -0.218 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(NS(=O)(=O)CC)cc2)CC1 ZINC000491157093 1073673852 /nfs/dbraw/zinc/67/38/52/1073673852.db2.gz UOPNWVXRXDHSSG-UHFFFAOYSA-N 0 0 437.522 -0.167 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(F)c(S(C)(=O)=O)c(F)c2)CC1 ZINC000491170348 1073674547 /nfs/dbraw/zinc/67/45/47/1073674547.db2.gz FYFASYHOXBCKAP-UHFFFAOYSA-N 0 0 444.460 -0.247 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)CC1 ZINC000491171599 1073674470 /nfs/dbraw/zinc/67/44/70/1073674470.db2.gz KZWNTRYRTJUBLN-UHFFFAOYSA-N 0 0 437.522 -0.664 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(NC(=O)CN(C)C)cc2)CC1 ZINC000491172015 1073674536 /nfs/dbraw/zinc/67/45/36/1073674536.db2.gz OXRKAGZRGRLSML-UHFFFAOYSA-N 0 0 430.509 -0.428 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(C(=O)N(C)C)cc2OC)CC1 ZINC000491173407 1073674509 /nfs/dbraw/zinc/67/45/09/1073674509.db2.gz UQODLLGCWJXUDZ-UHFFFAOYSA-N 0 0 431.493 -0.218 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cccc(OCC(=O)N(C)C)c2)CC1 ZINC000491203120 1072253033 /nfs/dbraw/zinc/25/30/33/1072253033.db2.gz RBOVUVHFEHGIII-UHFFFAOYSA-N 0 0 431.493 -0.462 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(OCC(=O)NCC)cc2)CC1 ZINC000491212726 1072394664 /nfs/dbraw/zinc/39/46/64/1072394664.db2.gz JFQPJPWPEWIKAU-UHFFFAOYSA-N 0 0 431.493 -0.414 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cccc(C(=O)N3CCOCC3)c2)CC1 ZINC000491213753 1072396149 /nfs/dbraw/zinc/39/61/49/1072396149.db2.gz OOCJGQSRGXMWHQ-UHFFFAOYSA-N 0 0 443.504 -0.456 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccccc2C(=O)N2CCOCC2)CC1 ZINC000491233947 1072431595 /nfs/dbraw/zinc/43/15/95/1072431595.db2.gz DHGUSIGVRVMOJI-UHFFFAOYSA-N 0 0 443.504 -0.456 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)CC1 ZINC000491234204 1072431486 /nfs/dbraw/zinc/43/14/86/1072431486.db2.gz FGCAKJQGJANYDD-UHFFFAOYSA-N 0 0 437.522 -0.678 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cccc(N3CCCNC3=O)c2)CC1 ZINC000491234743 1072433321 /nfs/dbraw/zinc/43/33/21/1072433321.db2.gz HWGKGJXWYWKYJB-UHFFFAOYSA-N 0 0 428.493 -0.009 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(C(=O)OC)cc(OC)c2OC)CC1 ZINC000491247089 1072443763 /nfs/dbraw/zinc/44/37/63/1072443763.db2.gz NKIBOPXJGLUHIX-UHFFFAOYSA-N 0 0 448.476 -0.125 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)CC1 ZINC000491247220 1072444457 /nfs/dbraw/zinc/44/44/57/1072444457.db2.gz NQVOBPVMQHVJPR-UHFFFAOYSA-N 0 0 436.476 -0.417 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cccc(-c3nnnn3CC)c2)CC1 ZINC000491248603 1072444484 /nfs/dbraw/zinc/44/44/84/1072444484.db2.gz VJSYDJGTPAHFQI-UHFFFAOYSA-N 0 0 426.481 -0.255 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc3ccn(CC(=O)NC)c3c2)CC1 ZINC000491257686 1072450406 /nfs/dbraw/zinc/45/04/06/1072450406.db2.gz DTLLVDZQNALWMQ-UHFFFAOYSA-N 0 0 440.504 -0.228 20 30 IBEDRN C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN(CC(=O)NCCOC)CC2)cc1 ZINC000491258303 1072451642 /nfs/dbraw/zinc/45/16/42/1072451642.db2.gz JGTXINBGQVFOBG-UHFFFAOYSA-N 0 0 431.493 -0.552 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(OCCC(=O)NC)cc2)CC1 ZINC000491258748 1072452149 /nfs/dbraw/zinc/45/21/49/1072452149.db2.gz LXXMVROHAWJRGU-UHFFFAOYSA-N 0 0 431.493 -0.414 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cccc(CN3C(=O)CNC3=O)c2)CC1 ZINC000491260065 1072452168 /nfs/dbraw/zinc/45/21/68/1072452168.db2.gz SUTNXYQZGYJZNW-UHFFFAOYSA-N 0 0 442.476 -0.877 20 30 IBEDRN CCN(CC)S(=O)(=O)CCNC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 ZINC000491333718 1073335489 /nfs/dbraw/zinc/33/54/89/1073335489.db2.gz MHRQIQRNQRVOMF-UHFFFAOYSA-N 0 0 433.494 -0.076 20 30 IBEDRN N#Cc1ccc(Cn2cnc(NC(=O)C(=O)NCCS(=O)(=O)NCC3CCC3)n2)cc1 ZINC000491358153 1072581238 /nfs/dbraw/zinc/58/12/38/1072581238.db2.gz DDZIVNSCJFYJHN-UHFFFAOYSA-N 0 0 445.505 -0.028 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cnn(CC(=O)NC3CCCC3)c2)CC1 ZINC000491487194 1072584146 /nfs/dbraw/zinc/58/41/46/1072584146.db2.gz QXLJPCQEZAYBIA-UHFFFAOYSA-N 0 0 445.524 -0.673 20 30 IBEDRN C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1cnn(CC(=O)NC2CC2)c1 ZINC000491583544 1072586475 /nfs/dbraw/zinc/58/64/75/1072586475.db2.gz KSVIFHLPDZCTSB-CYBMUJFWSA-N 0 0 437.464 -0.501 20 30 IBEDRN C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1cnn(CC(=O)NC2CC2)c1 ZINC000491583545 1072586347 /nfs/dbraw/zinc/58/63/47/1072586347.db2.gz KSVIFHLPDZCTSB-ZDUSSCGKSA-N 0 0 437.464 -0.501 20 30 IBEDRN N#Cc1ccc(N2CC[C@H](C(=O)N3CCN([C@@H]4CS(=O)(=O)C[C@@H]4O)CC3)C2)c(F)c1 ZINC000491901490 1072589979 /nfs/dbraw/zinc/58/99/79/1072589979.db2.gz NNCBUERPLZFSPU-IPELMVKDSA-N 0 0 436.509 -0.174 20 30 IBEDRN N#Cc1ccc(N2CC[C@H](C(=O)N3CCN([C@@H]4CS(=O)(=O)C[C@H]4O)CC3)C2)c(F)c1 ZINC000491901491 1072589988 /nfs/dbraw/zinc/58/99/88/1072589988.db2.gz NNCBUERPLZFSPU-KFKAGJAMSA-N 0 0 436.509 -0.174 20 30 IBEDRN N#Cc1ccc(N2CC[C@H](C(=O)N3CCN([C@H]4CS(=O)(=O)C[C@@H]4O)CC3)C2)c(F)c1 ZINC000491901492 1072589854 /nfs/dbraw/zinc/58/98/54/1072589854.db2.gz NNCBUERPLZFSPU-SNRMKQJTSA-N 0 0 436.509 -0.174 20 30 IBEDRN N#Cc1ccc(N2CC[C@H](C(=O)N3CCN([C@H]4CS(=O)(=O)C[C@H]4O)CC3)C2)c(F)c1 ZINC000491901493 1072590253 /nfs/dbraw/zinc/59/02/53/1072590253.db2.gz NNCBUERPLZFSPU-ZYSHUDEJSA-N 0 0 436.509 -0.174 20 30 IBEDRN N#Cc1ccc(N2CCN(C(=O)Cn3c4ccc(S(N)(=O)=O)cc4oc3=O)CC2)nc1 ZINC000492129628 1072591332 /nfs/dbraw/zinc/59/13/32/1072591332.db2.gz XFVSTXUZECIHGK-UHFFFAOYSA-N 0 0 442.457 -0.143 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)c2csc(S(=O)(=O)N3CCOCC3)c2)CC1 ZINC000492292265 1072593014 /nfs/dbraw/zinc/59/30/14/1072593014.db2.gz XFZGXMRJQDNIQW-UHFFFAOYSA-N 0 0 442.563 -0.171 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)c2cc(S(=O)(=O)NCCOC)ccc2C)CC1 ZINC000492419649 1072594640 /nfs/dbraw/zinc/59/46/40/1072594640.db2.gz QUSZUDGRSXNEEL-UHFFFAOYSA-N 0 0 438.550 -0.020 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)CC1 ZINC000492457404 1072595028 /nfs/dbraw/zinc/59/50/28/1072595028.db2.gz PLGIJURAQMQRLW-UHFFFAOYSA-N 0 0 441.579 -0.188 20 30 IBEDRN CCN(CCCNC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1)S(C)(=O)=O ZINC000492533233 1073335951 /nfs/dbraw/zinc/33/59/51/1073335951.db2.gz JEVOCWBWKPMKFZ-UHFFFAOYSA-N 0 0 433.494 -0.076 20 30 IBEDRN N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CCN3C(=O)NC(=O)[C@@H]3C2)CC1 ZINC000492781291 1072600089 /nfs/dbraw/zinc/60/00/89/1072600089.db2.gz BPRMYCPXLAFDNA-AWEZNQCLSA-N 0 0 439.432 -0.309 20 30 IBEDRN N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CCN3C(=O)NC(=O)[C@H]3C2)CC1 ZINC000492781292 1072600073 /nfs/dbraw/zinc/60/00/73/1072600073.db2.gz BPRMYCPXLAFDNA-CQSZACIVSA-N 0 0 439.432 -0.309 20 30 IBEDRN CS(=O)(=O)N1CC(CNC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 ZINC000492789698 1072600498 /nfs/dbraw/zinc/60/04/98/1072600498.db2.gz MUFTUAVUZUODRQ-UHFFFAOYSA-N 0 0 440.547 -0.033 20 30 IBEDRN CCS(=O)(=O)N1CCN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)CC1 ZINC000492793643 1073345098 /nfs/dbraw/zinc/34/50/98/1073345098.db2.gz VXJNOGUYOKWJDP-UHFFFAOYSA-N 0 0 431.478 -0.370 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)c2cccc(CN3CCS(=O)(=O)CC3)c2)CC1 ZINC000493918636 1072613206 /nfs/dbraw/zinc/61/32/06/1072613206.db2.gz CRIDICLOXKQNGL-UHFFFAOYSA-N 0 0 434.562 -0.023 20 30 IBEDRN CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 ZINC000494059927 1073317447 /nfs/dbraw/zinc/31/74/47/1073317447.db2.gz KPEANKIPWBEMEN-HNNXBMFYSA-N 0 0 431.478 -0.323 20 30 IBEDRN CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 ZINC000494059928 1073317552 /nfs/dbraw/zinc/31/75/52/1073317552.db2.gz KPEANKIPWBEMEN-OAHLLOKOSA-N 0 0 431.478 -0.323 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2CCN([C@H]3CCN(c4ccccc4)C3=O)CC2)C1=O ZINC000494082539 1072620473 /nfs/dbraw/zinc/62/04/73/1072620473.db2.gz FFNMYQBQBURVMS-KRWDZBQOSA-N 0 0 439.472 -0.087 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2CCN([C@@H]3CCN(c4ccccc4)C3=O)CC2)C1=O ZINC000494082540 1072620299 /nfs/dbraw/zinc/62/02/99/1072620299.db2.gz FFNMYQBQBURVMS-QGZVFWFLSA-N 0 0 439.472 -0.087 20 30 IBEDRN Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000494090026 1072619142 /nfs/dbraw/zinc/61/91/42/1072619142.db2.gz VBPQHODJJAQRLO-UHFFFAOYSA-N 0 0 430.509 -0.124 20 30 IBEDRN N#Cc1ccc(NC(=O)C(=O)N2CCN(CCS(N)(=O)=O)CC2)cc1C(F)(F)F ZINC000494343909 1072628168 /nfs/dbraw/zinc/62/81/68/1072628168.db2.gz BVJXOSSYRKDUCF-UHFFFAOYSA-N 0 0 433.412 -0.052 20 30 IBEDRN N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)N2CCN(CCS(N)(=O)=O)CC2)c1 ZINC000494416098 1072631734 /nfs/dbraw/zinc/63/17/34/1072631734.db2.gz JDSMXTHZKUZNKZ-UHFFFAOYSA-N 0 0 431.421 -0.469 20 30 IBEDRN C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCN(CCS(N)(=O)=O)CC2)cc1 ZINC000494421602 1072633821 /nfs/dbraw/zinc/63/38/21/1072633821.db2.gz ZWSOKLBTUFDCLI-UHFFFAOYSA-N 0 0 438.510 -0.635 20 30 IBEDRN C[C@H](O)CN1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 ZINC000494433794 1072632962 /nfs/dbraw/zinc/63/29/62/1072632962.db2.gz JUXIGJFVYXJNFI-KRWDZBQOSA-N 0 0 435.550 -0.610 20 30 IBEDRN COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCN(C(=O)Cn2cnc(C#N)n2)CC1 ZINC000494560923 1072636184 /nfs/dbraw/zinc/63/61/84/1072636184.db2.gz MLNJYMNWHKFQPS-UHFFFAOYSA-N 0 0 436.450 -0.321 20 30 IBEDRN CN(C)C(=O)Cn1cc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)nn1 ZINC000494570441 1072636707 /nfs/dbraw/zinc/63/67/07/1072636707.db2.gz SLVBWIDLGCGNBX-UHFFFAOYSA-N 0 0 431.478 -0.615 20 30 IBEDRN Cn1cc([C@H](CO)NCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cn1 ZINC000494811674 1072646771 /nfs/dbraw/zinc/64/67/71/1072646771.db2.gz RBUNDVZLEMBWDT-KRWDZBQOSA-N 0 0 432.506 -0.552 20 30 IBEDRN Cn1cc([C@@H](CO)NCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cn1 ZINC000494811676 1072646794 /nfs/dbraw/zinc/64/67/94/1072646794.db2.gz RBUNDVZLEMBWDT-QGZVFWFLSA-N 0 0 432.506 -0.552 20 30 IBEDRN CCN1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)[C@@H](C)C1=O ZINC000495211001 1072665603 /nfs/dbraw/zinc/66/56/03/1072665603.db2.gz LSKMKLFKGQFBOY-INIZCTEOSA-N 0 0 433.534 -0.056 20 30 IBEDRN CCN1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)[C@H](C)C1=O ZINC000495211002 1072665593 /nfs/dbraw/zinc/66/55/93/1072665593.db2.gz LSKMKLFKGQFBOY-MRXNPFEDSA-N 0 0 433.534 -0.056 20 30 IBEDRN Cn1c(N[C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)c(C#N)c(=O)n(C)c1=O ZINC000495222918 1072667718 /nfs/dbraw/zinc/66/77/18/1072667718.db2.gz XRRDHKIHOCLSJQ-AWEZNQCLSA-N 0 0 426.481 -0.337 20 30 IBEDRN Cn1c(N[C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)c(C#N)c(=O)n(C)c1=O ZINC000495222922 1072667809 /nfs/dbraw/zinc/66/78/09/1072667809.db2.gz XRRDHKIHOCLSJQ-CQSZACIVSA-N 0 0 426.481 -0.337 20 30 IBEDRN N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCCN3CCNC(=O)C3)CC2)cc1 ZINC000495447320 1072682817 /nfs/dbraw/zinc/68/28/17/1072682817.db2.gz HLSJHIUEQIRUGY-UHFFFAOYSA-N 0 0 433.534 -0.103 20 30 IBEDRN CN(CC(=O)N1CCC[C@@H]1C(=O)N1CCN(C)CC1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000495502165 1072683912 /nfs/dbraw/zinc/68/39/12/1072683912.db2.gz NTWPJVYANJJPAN-GOSISDBHSA-N 0 0 433.534 -0.056 20 30 IBEDRN CN(CC(=O)N1CCC[C@H]1C(=O)N1CCN(C)CC1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000495502168 1072683932 /nfs/dbraw/zinc/68/39/32/1072683932.db2.gz NTWPJVYANJJPAN-SFHVURJKSA-N 0 0 433.534 -0.056 20 30 IBEDRN COCCNC(=O)CN1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000496093916 1072718550 /nfs/dbraw/zinc/71/85/50/1072718550.db2.gz OOPIWXMPFWXSOY-UHFFFAOYSA-N 0 0 437.522 -0.914 20 30 IBEDRN N#Cc1cc(C(=O)NCCS(=O)(=O)N2CCN(C(=O)c3c[nH]c(C#N)c3)CC2)c[nH]1 ZINC000496409803 1072729545 /nfs/dbraw/zinc/72/95/45/1072729545.db2.gz DNSIAJBJAJIPRU-UHFFFAOYSA-N 0 0 429.462 -0.396 20 30 IBEDRN C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)c1 ZINC000496484559 1072732722 /nfs/dbraw/zinc/73/27/22/1072732722.db2.gz VRSVTTLBUBZORR-UHFFFAOYSA-N 0 0 436.534 -0.233 20 30 IBEDRN N#Cc1ccc(N2CCN(CC(=O)N3CCN([C@@H]4CCS(=O)(=O)C4)CC3)CC2)nc1 ZINC000497487652 1072767529 /nfs/dbraw/zinc/76/75/29/1072767529.db2.gz FTSGPEUGQXXOBE-GOSISDBHSA-N 0 0 432.550 -0.593 20 30 IBEDRN N#Cc1ccc(N2CCN(CC(=O)N3CCN([C@H]4CCS(=O)(=O)C4)CC3)CC2)nc1 ZINC000497487655 1072767566 /nfs/dbraw/zinc/76/75/66/1072767566.db2.gz FTSGPEUGQXXOBE-SFHVURJKSA-N 0 0 432.550 -0.593 20 30 IBEDRN N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2cscn2)c(=O)n1C1CC1 ZINC000497554368 1072770461 /nfs/dbraw/zinc/77/04/61/1072770461.db2.gz BTUAHGZCFPMVPO-UHFFFAOYSA-N 0 0 431.543 -0.347 20 30 IBEDRN CCCn1c(=O)c(=Cc2cscn2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000497572884 1072772493 /nfs/dbraw/zinc/77/24/93/1072772493.db2.gz JIVMIGNMINYPRI-UHFFFAOYSA-N 0 0 433.559 -0.272 20 30 IBEDRN C=CCn1c(=O)c(=Cc2cscn2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000497573381 1072773065 /nfs/dbraw/zinc/77/30/65/1072773065.db2.gz SNOIHPLOJBSTNR-UHFFFAOYSA-N 0 0 431.543 -0.496 20 30 IBEDRN N#CC(C(=O)N1CCCC1)=c1sc(=Cc2cscn2)c(=O)n1CCN1CCOCC1 ZINC000497577949 1072771530 /nfs/dbraw/zinc/77/15/30/1072771530.db2.gz BPBPXUYLLUOHCJ-UHFFFAOYSA-N 0 0 445.570 -0.176 20 30 IBEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2cscn2)c(=O)n1CCN1CCOCC1 ZINC000497579713 1072771520 /nfs/dbraw/zinc/77/15/20/1072771520.db2.gz ZZIFLDYLDBOYSU-UHFFFAOYSA-N 0 0 433.559 -0.274 20 30 IBEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cscn2)c(=O)n1CCN1CCOCC1 ZINC000497580385 1072773200 /nfs/dbraw/zinc/77/32/00/1072773200.db2.gz AQWHXYLPLNIRQP-UHFFFAOYSA-N 0 0 433.559 -0.272 20 30 IBEDRN CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cscn2)c(=O)n1CCN1CCOCC1 ZINC000497580831 1072771558 /nfs/dbraw/zinc/77/15/58/1072771558.db2.gz NTHRVMIHYBPTHF-UHFFFAOYSA-N 0 0 447.586 -0.026 20 30 IBEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2cscn2)c(=O)n1C[C@@H]1CCCO1 ZINC000497580862 1072771361 /nfs/dbraw/zinc/77/13/61/1072771361.db2.gz ORACCQWWXUXYNF-AWEZNQCLSA-N 0 0 432.527 -0.093 20 30 IBEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2cscn2)c(=O)n1C[C@H]1CCCO1 ZINC000497580863 1072771459 /nfs/dbraw/zinc/77/14/59/1072771459.db2.gz ORACCQWWXUXYNF-CQSZACIVSA-N 0 0 432.527 -0.093 20 30 IBEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cscn2)c(=O)n1CCN1CCOCC1 ZINC000497581090 1072772953 /nfs/dbraw/zinc/77/29/53/1072772953.db2.gz SXKGWVGSWHQBAC-UHFFFAOYSA-N 0 0 431.543 -0.496 20 30 IBEDRN Cn1c(=O)c(C#N)c(N2CCN(S(=O)(=O)c3c[nH]c4ncccc43)CC2)n(C)c1=O ZINC000497628483 1072778089 /nfs/dbraw/zinc/77/80/89/1072778089.db2.gz PRRWCAOIHUMBBK-UHFFFAOYSA-N 0 0 429.462 -0.657 20 30 IBEDRN Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@H]3CCCN(c4cnn(C)c4)C3)CC2)c1C#N ZINC000497709518 1072781250 /nfs/dbraw/zinc/78/12/50/1072781250.db2.gz VKWNXWKWFLYCST-INIZCTEOSA-N 0 0 439.524 -0.233 20 30 IBEDRN Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H]3CCCN(c4cnn(C)c4)C3)CC2)c1C#N ZINC000497709519 1072781273 /nfs/dbraw/zinc/78/12/73/1072781273.db2.gz VKWNXWKWFLYCST-MRXNPFEDSA-N 0 0 439.524 -0.233 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)NCCN2CCN(C(=O)C3CCCCC3)CC2)C1=O ZINC000498014837 1072797028 /nfs/dbraw/zinc/79/70/28/1072797028.db2.gz LRZJWAYQJIBUGL-UHFFFAOYSA-N 0 0 433.509 -0.196 20 30 IBEDRN CN1C(=O)C(=O)N(CC(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)C1=O ZINC000498142159 1072803891 /nfs/dbraw/zinc/80/38/91/1072803891.db2.gz QTLFZUBXZRKDQA-UHFFFAOYSA-N 0 0 427.396 -0.065 20 30 IBEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)N2CCN(C(=O)c3cccs3)CC2)c1=O ZINC000498447725 1072842936 /nfs/dbraw/zinc/84/29/36/1072842936.db2.gz VCWLLBJGIOXAEL-UHFFFAOYSA-N 0 0 445.501 -0.410 20 30 IBEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)N2Cc3ccccc3C[C@H]2C(=O)OC)c1=O ZINC000498450574 1072843485 /nfs/dbraw/zinc/84/34/85/1072843485.db2.gz PZADDDHLZAMQMP-KRWDZBQOSA-N 0 0 440.456 -0.330 20 30 IBEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)OC)c1=O ZINC000498450577 1072843407 /nfs/dbraw/zinc/84/34/07/1072843407.db2.gz PZADDDHLZAMQMP-QGZVFWFLSA-N 0 0 440.456 -0.330 20 30 IBEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(C(=O)[C@H](C)O)CC2)cc1 ZINC000498690498 1072879193 /nfs/dbraw/zinc/87/91/93/1072879193.db2.gz BIYBLXRQBSFWNL-AWEZNQCLSA-N 0 0 438.506 -0.517 20 30 IBEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(C(=O)[C@@H](C)O)CC2)cc1 ZINC000498690500 1072879673 /nfs/dbraw/zinc/87/96/73/1072879673.db2.gz BIYBLXRQBSFWNL-CQSZACIVSA-N 0 0 438.506 -0.517 20 30 IBEDRN CCC[C@H]1C(=O)NCCN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000498914638 1072903125 /nfs/dbraw/zinc/90/31/25/1072903125.db2.gz JKPVIPYTANROQZ-KRWDZBQOSA-N 0 0 433.534 -0.008 20 30 IBEDRN CCC[C@@H]1C(=O)NCCN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000498914639 1072902884 /nfs/dbraw/zinc/90/28/84/1072902884.db2.gz JKPVIPYTANROQZ-QGZVFWFLSA-N 0 0 433.534 -0.008 20 30 IBEDRN C[C@H](O)C(=O)N1CCN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1 ZINC000498933570 1072904841 /nfs/dbraw/zinc/90/48/41/1072904841.db2.gz FBWMVPDAKVMOAB-HNNXBMFYSA-N 0 0 442.476 -0.020 20 30 IBEDRN C[C@@H](O)C(=O)N1CCN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1 ZINC000498933571 1072904730 /nfs/dbraw/zinc/90/47/30/1072904730.db2.gz FBWMVPDAKVMOAB-OAHLLOKOSA-N 0 0 442.476 -0.020 20 30 IBEDRN C=CCc1ccc(OC[C@H](O)CN2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)c(OC)c1 ZINC000498956794 1072904956 /nfs/dbraw/zinc/90/49/56/1072904956.db2.gz NPSXMKOXVOMEMO-CEXWTWQISA-N 0 0 440.562 -0.061 20 30 IBEDRN C=CCc1ccc(OC[C@H](O)CN2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)c(OC)c1 ZINC000498956795 1072904947 /nfs/dbraw/zinc/90/49/47/1072904947.db2.gz NPSXMKOXVOMEMO-GUDVDZBRSA-N 0 0 440.562 -0.061 20 30 IBEDRN C=CCc1ccc(OC[C@H](O)CN2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)c(OC)c1 ZINC000498956796 1072904853 /nfs/dbraw/zinc/90/48/53/1072904853.db2.gz NPSXMKOXVOMEMO-QRVBRYPASA-N 0 0 440.562 -0.061 20 30 IBEDRN C=CCc1ccc(OC[C@H](O)CN2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)c(OC)c1 ZINC000498956797 1072905370 /nfs/dbraw/zinc/90/53/70/1072905370.db2.gz NPSXMKOXVOMEMO-QYZOEREBSA-N 0 0 440.562 -0.061 20 30 IBEDRN N#Cc1ccc(NC(=O)C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)cc1Br ZINC000498974438 1072910551 /nfs/dbraw/zinc/91/05/51/1072910551.db2.gz BRTPABMAZRKMJU-UHFFFAOYSA-N 0 0 447.253 -0.383 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)NC)c2)CC1 ZINC000498998019 1072913357 /nfs/dbraw/zinc/91/33/57/1072913357.db2.gz CUNTXIXQLACERQ-UHFFFAOYSA-N 0 0 441.485 -0.881 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(F)c(N3C(=O)CCC3=O)c2)CC1 ZINC000498998855 1072914393 /nfs/dbraw/zinc/91/43/93/1072914393.db2.gz GHIMQLRTGJGDSJ-UHFFFAOYSA-N 0 0 445.451 -0.136 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(OC)cc(S(C)(=O)=O)c2)CC1 ZINC000499001126 1072914968 /nfs/dbraw/zinc/91/49/68/1072914968.db2.gz MNOFBMKUKCUUIY-UHFFFAOYSA-N 0 0 438.506 -0.516 20 30 IBEDRN N#Cc1ccc(NC(=O)C(=O)N2CCN(CCS(N)(=O)=O)CC2)cc1Br ZINC000499004586 1072915263 /nfs/dbraw/zinc/91/52/63/1072915263.db2.gz RMNMNRXKRPCLTE-UHFFFAOYSA-N 0 0 444.311 -0.308 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cccc(C(=O)NCCOC)c2)CC1 ZINC000499006062 1072915369 /nfs/dbraw/zinc/91/53/69/1072915369.db2.gz YNZFDXKKBCHZRJ-UHFFFAOYSA-N 0 0 431.493 -0.552 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)Nc2cccc(S(=O)(=O)N3CCN(C)CC3)c2)C1=O ZINC000499037866 1072922026 /nfs/dbraw/zinc/92/20/26/1072922026.db2.gz SQCKXVLZMUNEKU-UHFFFAOYSA-N 0 0 449.489 -0.462 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)C1=O ZINC000499094318 1072926362 /nfs/dbraw/zinc/92/63/62/1072926362.db2.gz ODCMGDISRYUYDU-UHFFFAOYSA-N 0 0 431.424 -0.115 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(CC(=O)NCc3ccccc3)CC2)C1=O ZINC000499106892 1072926813 /nfs/dbraw/zinc/92/68/13/1072926813.db2.gz PVKRUWDOEDOFQO-UHFFFAOYSA-N 0 0 427.461 -0.576 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(c3ccc(C(=O)OCC)cn3)CC2)C1=O ZINC000499108764 1072926824 /nfs/dbraw/zinc/92/68/24/1072926824.db2.gz FGUOZIYYCDFBER-UHFFFAOYSA-N 0 0 429.433 -0.116 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)C1=O ZINC000499226771 1072936933 /nfs/dbraw/zinc/93/69/33/1072936933.db2.gz FOBWXJOZEGFGCV-UHFFFAOYSA-N 0 0 449.489 -0.462 20 30 IBEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCN3C(=O)CC[C@H]3C2)CC1 ZINC000499239972 1072937241 /nfs/dbraw/zinc/93/72/41/1072937241.db2.gz AJGYWZIEILBRSV-KRWDZBQOSA-N 0 0 431.518 -0.302 20 30 IBEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCN3C(=O)CC[C@@H]3C2)CC1 ZINC000499239973 1072937381 /nfs/dbraw/zinc/93/73/81/1072937381.db2.gz AJGYWZIEILBRSV-QGZVFWFLSA-N 0 0 431.518 -0.302 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)C1=O ZINC000499431208 1073149499 /nfs/dbraw/zinc/14/94/99/1073149499.db2.gz MWXITRNCGHKMKF-CYBMUJFWSA-N 0 0 430.417 -0.596 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H](O)COc2ccc3c(c2)CCC(=O)N3)C1=O ZINC000499431209 1073149459 /nfs/dbraw/zinc/14/94/59/1073149459.db2.gz MWXITRNCGHKMKF-ZDUSSCGKSA-N 0 0 430.417 -0.596 20 30 IBEDRN N#Cc1ncn(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)c1C#N ZINC000499483481 1073159200 /nfs/dbraw/zinc/15/92/00/1073159200.db2.gz CTDDWLLQUSAUOC-UHFFFAOYSA-N 0 0 442.457 -0.069 20 30 IBEDRN COCCN(CCC#N)S(=O)(=O)NCCNS(=O)(=O)c1ccc(F)cc1F ZINC000499681276 1071381120 /nfs/dbraw/zinc/38/11/20/1071381120.db2.gz VIEXESOZPIMLPG-UHFFFAOYSA-N 0 0 426.467 -0.060 20 30 IBEDRN N#C[C@@H]1CN(S(=O)(=O)NCCNS(=O)(=O)c2ccc(Cl)cc2F)CCO1 ZINC000499684033 1073208412 /nfs/dbraw/zinc/20/84/12/1073208412.db2.gz YWOOSTMFASRMPA-LLVKDONJSA-N 0 0 426.879 -0.184 20 30 IBEDRN N#C[C@H]1CN(S(=O)(=O)NCCNS(=O)(=O)c2ccc(Cl)cc2F)CCO1 ZINC000499684034 1073208386 /nfs/dbraw/zinc/20/83/86/1073208386.db2.gz YWOOSTMFASRMPA-NSHDSACASA-N 0 0 426.879 -0.184 20 30 IBEDRN C[C@H](C#N)CN(C)S(=O)(=O)NC[C@@]1(C)CCN(S(=O)(=O)N(C)C[C@H](C)C#N)C1 ZINC000499756987 1073217056 /nfs/dbraw/zinc/21/70/56/1073217056.db2.gz MEEOAEFKIKEAKF-BZUAXINKSA-N 0 0 434.588 -0.039 20 30 IBEDRN C[C@H](C#N)CN(C)S(=O)(=O)NC[C@]1(C)CCN(S(=O)(=O)N(C)C[C@H](C)C#N)C1 ZINC000499756988 1073217012 /nfs/dbraw/zinc/21/70/12/1073217012.db2.gz MEEOAEFKIKEAKF-OAGGEKHMSA-N 0 0 434.588 -0.039 20 30 IBEDRN C[C@@H](C#N)CN(C)S(=O)(=O)N1CC[C@](C)(CNS(=O)(=O)N(C)C[C@H](C)C#N)C1 ZINC000499756989 1073217032 /nfs/dbraw/zinc/21/70/32/1073217032.db2.gz MEEOAEFKIKEAKF-OWCLPIDISA-N 0 0 434.588 -0.039 20 30 IBEDRN C[C@@H](C#N)CN(C)S(=O)(=O)N1CC[C@@](C)(CNS(=O)(=O)N(C)C[C@H](C)C#N)C1 ZINC000499756990 1073217038 /nfs/dbraw/zinc/21/70/38/1073217038.db2.gz MEEOAEFKIKEAKF-PMPSAXMXSA-N 0 0 434.588 -0.039 20 30 IBEDRN C=CCn1c2nnc(SCC(=O)NCCN3C(=O)CNC3=O)n2c2ccccc2c1=O ZINC000499918495 1073227662 /nfs/dbraw/zinc/22/76/62/1073227662.db2.gz DOPOLBCVBQQFEX-UHFFFAOYSA-N 0 0 441.473 -0.010 20 30 IBEDRN C=CCN1CC[C@H](N(C)CC(=O)N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)C1=O ZINC000499942508 1073228474 /nfs/dbraw/zinc/22/84/74/1073228474.db2.gz YRNAAEQCPOAFHB-INIZCTEOSA-N 0 0 439.538 -0.157 20 30 IBEDRN C=CCN1CC[C@@H](N(C)CC(=O)N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)C1=O ZINC000499942509 1073228413 /nfs/dbraw/zinc/22/84/13/1073228413.db2.gz YRNAAEQCPOAFHB-MRXNPFEDSA-N 0 0 439.538 -0.157 20 30 IBEDRN N#Cc1c(N)n(-c2ccccc2)nc1CCCNS(=O)(=O)N1CCS(=O)(=O)CC1 ZINC000500075638 1072876734 /nfs/dbraw/zinc/87/67/34/1072876734.db2.gz NFBWBQDTIVUACZ-UHFFFAOYSA-N 0 0 438.535 -0.176 20 30 IBEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCC[C@H]3C(=O)NC[C@H]32)CC1 ZINC000500126917 1071369921 /nfs/dbraw/zinc/36/99/21/1071369921.db2.gz BQKMHDMBIUGJQY-IAGOWNOFSA-N 0 0 431.518 -0.398 20 30 IBEDRN CNS(=O)(=O)c1cc(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)ccc1F ZINC000500254866 1071377115 /nfs/dbraw/zinc/37/71/15/1071377115.db2.gz SFGWJHHITVUGFS-UHFFFAOYSA-N 0 0 441.485 -0.253 20 30 IBEDRN COCCN(C(=O)CN1CCO[C@@H](C#N)C1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000500281497 1071379845 /nfs/dbraw/zinc/37/98/45/1071379845.db2.gz NZALTRATHNKETN-INIZCTEOSA-N 0 0 442.476 -0.217 20 30 IBEDRN COCCN(C(=O)CN1CCO[C@H](C#N)C1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000500281498 1071379728 /nfs/dbraw/zinc/37/97/28/1071379728.db2.gz NZALTRATHNKETN-MRXNPFEDSA-N 0 0 442.476 -0.217 20 30 IBEDRN Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@@H](CNS(N)(=O)=O)C3)CC2)o1 ZINC000500292710 1071381281 /nfs/dbraw/zinc/38/12/81/1071381281.db2.gz HWEHOLCRZFZWOO-AWEZNQCLSA-N 0 0 425.515 -0.992 20 30 IBEDRN Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@H](CNS(N)(=O)=O)C3)CC2)o1 ZINC000500292711 1071380646 /nfs/dbraw/zinc/38/06/46/1071380646.db2.gz HWEHOLCRZFZWOO-CQSZACIVSA-N 0 0 425.515 -0.992 20 30 IBEDRN N#Cc1nc(-c2ccco2)oc1N1CCN(S(=O)(=O)N2CCS(=O)(=O)CC2)CC1 ZINC000500348571 1071390276 /nfs/dbraw/zinc/39/02/76/1071390276.db2.gz ODZQWHXSEYUKOX-UHFFFAOYSA-N 0 0 441.491 -0.097 20 30 IBEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000500450426 1071471323 /nfs/dbraw/zinc/47/13/23/1071471323.db2.gz GLABYUBFGHNJQI-UHFFFAOYSA-N 0 0 446.489 -0.121 20 30 IBEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)cc1 ZINC000500472948 1071489299 /nfs/dbraw/zinc/48/92/99/1071489299.db2.gz VNBUPTLRBJKATQ-UHFFFAOYSA-N 0 0 446.489 -0.121 20 30 IBEDRN N#Cc1ccc(F)c(CS(=O)(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)c1 ZINC000500649456 1071504032 /nfs/dbraw/zinc/50/40/32/1071504032.db2.gz HUPXJESGVZKQAG-UHFFFAOYSA-N 0 0 432.499 -0.278 20 30 IBEDRN C=CCNC(=O)CN1CCN(S(=O)(=O)c2cc(Cl)ccc2OCC(N)=O)CC1 ZINC000500830731 1071523884 /nfs/dbraw/zinc/52/38/84/1071523884.db2.gz HFTPCQHKMZIHCE-UHFFFAOYSA-N 0 0 430.914 -0.187 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2CC(S(=O)(=O)N3CCc4ccccc43)C2)C1=O ZINC000500948276 1071591708 /nfs/dbraw/zinc/59/17/08/1071591708.db2.gz JCHGMFCTAMXXPA-UHFFFAOYSA-N 0 0 432.458 -0.434 20 30 IBEDRN CN1CCN(C(=O)CCNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 ZINC000501008518 1071645711 /nfs/dbraw/zinc/64/57/11/1071645711.db2.gz QWJAFFUXKBBAOA-UHFFFAOYSA-N 0 0 448.549 -0.262 20 30 IBEDRN CN1CCN(C(=O)CCNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 ZINC000501038675 1071647484 /nfs/dbraw/zinc/64/74/84/1071647484.db2.gz XUPFRBVKJGBERT-UHFFFAOYSA-N 0 0 448.549 -0.262 20 30 IBEDRN CN(CC(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000501091892 1071648610 /nfs/dbraw/zinc/64/86/10/1071648610.db2.gz SCYWHLYSUIXLAT-UHFFFAOYSA-N 0 0 447.517 -0.528 20 30 IBEDRN N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)cc1 ZINC000501112578 1071649216 /nfs/dbraw/zinc/64/92/16/1071649216.db2.gz ZHQYXTXBVGYCJN-UHFFFAOYSA-N 0 0 432.502 -0.234 20 30 IBEDRN COCCOc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C)c2=O)cc1 ZINC000501219545 1071652083 /nfs/dbraw/zinc/65/20/83/1071652083.db2.gz UYNHJXFUVQBKKT-UHFFFAOYSA-N 0 0 429.498 -0.166 20 30 IBEDRN CC(C)NC(=O)C(=O)N1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000501272258 1071653176 /nfs/dbraw/zinc/65/31/76/1071653176.db2.gz HXCQUUMCRSOZPS-UHFFFAOYSA-N 0 0 435.506 -0.626 20 30 IBEDRN CN(C)c1ncc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cn1 ZINC000501478912 1071659014 /nfs/dbraw/zinc/65/90/14/1071659014.db2.gz NWYFZTFVBOKQNC-UHFFFAOYSA-N 0 0 443.489 -0.114 20 30 IBEDRN CN(C)c1ncc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cn1 ZINC000501524056 1071659709 /nfs/dbraw/zinc/65/97/09/1071659709.db2.gz WEHJRLFAYWCYBS-UHFFFAOYSA-N 0 0 443.489 -0.114 20 30 IBEDRN COC(=O)CCCn1c(=O)c(=Cc2ccccn2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000501762792 1071667467 /nfs/dbraw/zinc/66/74/67/1071667467.db2.gz PJFPZIDASDPMGD-UHFFFAOYSA-N 0 0 442.497 -0.380 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1CCCC(=O)OC ZINC000501772943 1071667563 /nfs/dbraw/zinc/66/75/63/1071667563.db2.gz YDSJJEJYRODSQM-UHFFFAOYSA-N 0 0 430.486 -0.476 20 30 IBEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCN(C3CC3)C(=O)C2)CC1 ZINC000501873053 1071669186 /nfs/dbraw/zinc/66/91/86/1071669186.db2.gz MQBNAEWWEFOHGF-UHFFFAOYSA-N 0 0 431.518 -0.302 20 30 IBEDRN CS(=O)(=O)N1CCN(S(=O)(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)CC1 ZINC000501879527 1071669877 /nfs/dbraw/zinc/66/98/77/1071669877.db2.gz HHKJYOYBAUOXGS-KRWDZBQOSA-N 0 0 427.552 -0.309 20 30 IBEDRN CS(=O)(=O)N1CCN(S(=O)(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)CC1 ZINC000501879532 1071669788 /nfs/dbraw/zinc/66/97/88/1071669788.db2.gz HHKJYOYBAUOXGS-QGZVFWFLSA-N 0 0 427.552 -0.309 20 30 IBEDRN COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1C[C@H]1CCCO1 ZINC000501992368 1071676100 /nfs/dbraw/zinc/67/61/00/1071676100.db2.gz CCRXIEPKNPYPIS-DZGCQCFKSA-N 0 0 431.518 -0.524 20 30 IBEDRN COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1C[C@@H]1CCCO1 ZINC000501992369 1071676212 /nfs/dbraw/zinc/67/62/12/1071676212.db2.gz CCRXIEPKNPYPIS-HIFRSBDPSA-N 0 0 431.518 -0.524 20 30 IBEDRN COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1C[C@H]1CCCO1 ZINC000501992370 1071676128 /nfs/dbraw/zinc/67/61/28/1071676128.db2.gz CCRXIEPKNPYPIS-UKRRQHHQSA-N 0 0 431.518 -0.524 20 30 IBEDRN COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1C[C@@H]1CCCO1 ZINC000501992371 1071676188 /nfs/dbraw/zinc/67/61/88/1071676188.db2.gz CCRXIEPKNPYPIS-ZFWWWQNUSA-N 0 0 431.518 -0.524 20 30 IBEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1C[C@@H]1CCCO1 ZINC000501994579 1071674628 /nfs/dbraw/zinc/67/46/28/1071674628.db2.gz OPKDAASOIRFHAW-INIZCTEOSA-N 0 0 445.545 -0.132 20 30 IBEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1C[C@H]1CCCO1 ZINC000501994580 1071674707 /nfs/dbraw/zinc/67/47/07/1071674707.db2.gz OPKDAASOIRFHAW-MRXNPFEDSA-N 0 0 445.545 -0.132 20 30 IBEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1C[C@@H]1CCCO1 ZINC000501994873 1071673924 /nfs/dbraw/zinc/67/39/24/1071673924.db2.gz RBXOXNJNDAETJL-HNNXBMFYSA-N 0 0 431.518 -0.522 20 30 IBEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1C[C@H]1CCCO1 ZINC000501994874 1071673913 /nfs/dbraw/zinc/67/39/13/1071673913.db2.gz RBXOXNJNDAETJL-OAHLLOKOSA-N 0 0 431.518 -0.522 20 30 IBEDRN Cn1nccc1C=c1sc(=C(C#N)C(=O)NC[C@H]2CCCO2)n(C[C@@H]2CCCO2)c1=O ZINC000502000294 1071674940 /nfs/dbraw/zinc/67/49/40/1071674940.db2.gz ILUDTRHPMMWIFN-CVEARBPZSA-N 0 0 443.529 -0.379 20 30 IBEDRN Cn1nccc1C=c1sc(=C(C#N)C(=O)NC[C@@H]2CCCO2)n(C[C@@H]2CCCO2)c1=O ZINC000502000295 1071675120 /nfs/dbraw/zinc/67/51/20/1071675120.db2.gz ILUDTRHPMMWIFN-HOTGVXAUSA-N 0 0 443.529 -0.379 20 30 IBEDRN Cn1nccc1C=c1sc(=C(C#N)C(=O)NC[C@H]2CCCO2)n(C[C@H]2CCCO2)c1=O ZINC000502000296 1071675086 /nfs/dbraw/zinc/67/50/86/1071675086.db2.gz ILUDTRHPMMWIFN-HZPDHXFCSA-N 0 0 443.529 -0.379 20 30 IBEDRN Cn1nccc1C=c1sc(=C(C#N)C(=O)NC[C@@H]2CCCO2)n(C[C@H]2CCCO2)c1=O ZINC000502000297 1071675154 /nfs/dbraw/zinc/67/51/54/1071675154.db2.gz ILUDTRHPMMWIFN-JKSUJKDBSA-N 0 0 443.529 -0.379 20 30 IBEDRN Cn1nccc1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(C[C@@H]2CCCO2)c1=O ZINC000502006145 1071675631 /nfs/dbraw/zinc/67/56/31/1071675631.db2.gz SOZYHLAKAOBOJX-HNNXBMFYSA-N 0 0 429.502 -0.816 20 30 IBEDRN Cn1nccc1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(C[C@H]2CCCO2)c1=O ZINC000502006147 1071675727 /nfs/dbraw/zinc/67/57/27/1071675727.db2.gz SOZYHLAKAOBOJX-OAHLLOKOSA-N 0 0 429.502 -0.816 20 30 IBEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccnn3C)c(=O)n2CC(C)C)CC1 ZINC000502006567 1071675702 /nfs/dbraw/zinc/67/57/02/1071675702.db2.gz CUWVDQGASUWXAK-UHFFFAOYSA-N 0 0 428.562 -0.034 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccccc1OC ZINC000502007913 1071676236 /nfs/dbraw/zinc/67/62/36/1071676236.db2.gz WYRBUZIOTOZEOF-UHFFFAOYSA-N 0 0 439.497 -0.093 20 30 IBEDRN CC(C)Cn1c(=O)c(=Cc2ccnn2C)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000502013399 1071676705 /nfs/dbraw/zinc/67/67/05/1071676705.db2.gz ZHCVAMIYFQYUBW-UHFFFAOYSA-N 0 0 444.561 -0.749 20 30 IBEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CCN1CCOCC1 ZINC000502015050 1071677244 /nfs/dbraw/zinc/67/72/44/1071677244.db2.gz FWTJIWZEGMECLX-UHFFFAOYSA-N 0 0 444.561 -0.605 20 30 IBEDRN CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CCN1CCOCC1 ZINC000502015082 1071677228 /nfs/dbraw/zinc/67/72/28/1071677228.db2.gz GRNWPSUCVHROFC-UHFFFAOYSA-N 0 0 444.561 -0.749 20 30 IBEDRN CCOCCCn1c(=O)c(=Cc2ccnn2C)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000502016933 1071677340 /nfs/dbraw/zinc/67/73/40/1071677340.db2.gz LRJQTMIBPPNFMX-UHFFFAOYSA-N 0 0 431.518 -0.568 20 30 IBEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CCN1CCOCC1 ZINC000502017164 1071677290 /nfs/dbraw/zinc/67/72/90/1071677290.db2.gz LXDXFABKXUXSPM-UHFFFAOYSA-N 0 0 430.534 -0.997 20 30 IBEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CCN1CCOCC1 ZINC000502017376 1071677224 /nfs/dbraw/zinc/67/72/24/1071677224.db2.gz MWIRFDHXADMYSP-UHFFFAOYSA-N 0 0 430.534 -0.995 20 30 IBEDRN Cn1nccc1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(CCN2CCOCC2)c1=O ZINC000502019529 1071677343 /nfs/dbraw/zinc/67/73/43/1071677343.db2.gz UIYMABOUBZQWBY-UHFFFAOYSA-N 0 0 442.545 -0.899 20 30 IBEDRN CCCn1c(=O)c(=Cc2ccnn2C)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000502019953 1071677267 /nfs/dbraw/zinc/67/72/67/1071677267.db2.gz WNNSNQCDWRTVRC-UHFFFAOYSA-N 0 0 430.534 -0.995 20 30 IBEDRN CCOCCCn1c(=O)c(=Cc2ccnn2C)sc1=C(C#N)C(=O)N[C@@H](C)COC ZINC000502020605 1071677924 /nfs/dbraw/zinc/67/79/24/1071677924.db2.gz XAUFAKRZVIYOAT-AWEZNQCLSA-N 0 0 433.534 -0.276 20 30 IBEDRN CCOCCCn1c(=O)c(=Cc2ccnn2C)sc1=C(C#N)C(=O)N[C@H](C)COC ZINC000502020606 1071677733 /nfs/dbraw/zinc/67/77/33/1071677733.db2.gz XAUFAKRZVIYOAT-CQSZACIVSA-N 0 0 433.534 -0.276 20 30 IBEDRN CCOCCCn1c(=O)c(=Cc2ccnn2C)sc1=C(C#N)C(=O)NC[C@@H]1CCCO1 ZINC000502020764 1071677854 /nfs/dbraw/zinc/67/78/54/1071677854.db2.gz VQGQFTVXCYJBQY-INIZCTEOSA-N 0 0 445.545 -0.132 20 30 IBEDRN CCOCCCn1c(=O)c(=Cc2ccnn2C)sc1=C(C#N)C(=O)NC[C@H]1CCCO1 ZINC000502020766 1071677327 /nfs/dbraw/zinc/67/73/27/1071677327.db2.gz VQGQFTVXCYJBQY-MRXNPFEDSA-N 0 0 445.545 -0.132 20 30 IBEDRN CCCCn1c(=O)c(=Cc2ccnn2C)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000502040581 1071678300 /nfs/dbraw/zinc/67/83/00/1071678300.db2.gz LFOTZERINVYTPJ-UHFFFAOYSA-N 0 0 444.561 -0.605 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1cccc(OC)c1 ZINC000502042929 1071678282 /nfs/dbraw/zinc/67/82/82/1071678282.db2.gz LJBFTSRCTQMSLG-UHFFFAOYSA-N 0 0 439.497 -0.093 20 30 IBEDRN COC(=O)CCCn1c(=O)c(=Cc2ccnn2C)sc1=C(C#N)C(=O)N1CCCC1 ZINC000502047194 1071678954 /nfs/dbraw/zinc/67/89/54/1071678954.db2.gz FJMGBBAKTKCCEF-UHFFFAOYSA-N 0 0 429.502 -0.278 20 30 IBEDRN CSCCCn1c(=O)c(=Cc2ccnn2C)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000502049476 1071678946 /nfs/dbraw/zinc/67/89/46/1071678946.db2.gz IFDGGRUWZXJFFY-UHFFFAOYSA-N 0 0 433.559 -0.242 20 30 IBEDRN COC(=O)CCCn1c(=O)c(=Cc2ccnn2C)sc1=C(C#N)C(=O)NCC(C)C ZINC000502056508 1071678894 /nfs/dbraw/zinc/67/88/94/1071678894.db2.gz WDLAESBYMKWHDN-UHFFFAOYSA-N 0 0 431.518 -0.128 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H](C)c2nnnn2-c2ccccc2)CC1 ZINC000502150655 1071683839 /nfs/dbraw/zinc/68/38/39/1071683839.db2.gz DYICHQRJNRHAIL-HNNXBMFYSA-N 0 0 426.481 -0.714 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H](C)c2nnnn2-c2ccccc2)CC1 ZINC000502150659 1071683778 /nfs/dbraw/zinc/68/37/78/1071683778.db2.gz DYICHQRJNRHAIL-OAHLLOKOSA-N 0 0 426.481 -0.714 20 30 IBEDRN CN(CCC#N)S(=O)(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000502323314 1071691098 /nfs/dbraw/zinc/69/10/98/1071691098.db2.gz DJYDHKAJEYIHMO-UHFFFAOYSA-N 0 0 430.508 -0.146 20 30 IBEDRN COc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N(C)CCC#N)CC2)cc1[N+](=O)[O-] ZINC000502363522 1071692315 /nfs/dbraw/zinc/69/23/15/1071692315.db2.gz FGGQBMAUUVJCIK-UHFFFAOYSA-N 0 0 447.495 0.000 20 30 IBEDRN CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)CC1 ZINC000502383175 1071693494 /nfs/dbraw/zinc/69/34/94/1071693494.db2.gz AYVHVYZJGCXTPN-MOPGFXCFSA-N 0 0 441.598 -0.195 20 30 IBEDRN CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)CC1 ZINC000502383176 1071693432 /nfs/dbraw/zinc/69/34/32/1071693432.db2.gz AYVHVYZJGCXTPN-OALUTQOASA-N 0 0 441.598 -0.195 20 30 IBEDRN CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)CC1 ZINC000502383177 1071693460 /nfs/dbraw/zinc/69/34/60/1071693460.db2.gz AYVHVYZJGCXTPN-RBUKOAKNSA-N 0 0 441.598 -0.195 20 30 IBEDRN CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)CC1 ZINC000502383178 1071693484 /nfs/dbraw/zinc/69/34/84/1071693484.db2.gz AYVHVYZJGCXTPN-RTBURBONSA-N 0 0 441.598 -0.195 20 30 IBEDRN N#CCCN(CCN1CCOCC1)C(=O)Cn1c2ccc(S(N)(=O)=O)cc2oc1=O ZINC000502540863 1071694950 /nfs/dbraw/zinc/69/49/50/1071694950.db2.gz XGWLZGWPHOTHOJ-UHFFFAOYSA-N 0 0 437.478 -0.684 20 30 IBEDRN N#CCCN(CCN1CCOCC1)C(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC000502560996 1071695685 /nfs/dbraw/zinc/69/56/85/1071695685.db2.gz NZJHTIWBWOWSJZ-UHFFFAOYSA-N 0 0 449.533 -0.505 20 30 IBEDRN N#Cc1ccc(N2CCN(CC(=O)N3CCN(CC(=O)N4CCOCC4)CC3)CC2)nc1 ZINC000502668077 1071698217 /nfs/dbraw/zinc/69/82/17/1071698217.db2.gz QUWJZPCEHSEFDN-UHFFFAOYSA-N 0 0 441.536 -0.922 20 30 IBEDRN C=CCN1C(=O)c2ccc(C(=O)N[C@H]3CS(=O)(=O)C[C@H]3N3CCOCC3)cc2C1=O ZINC000502719448 1071700805 /nfs/dbraw/zinc/70/08/05/1071700805.db2.gz BOXZAQGRGVPFMJ-DLBZAZTESA-N 0 0 433.486 -0.304 20 30 IBEDRN C=CCN1C(=O)c2ccc(C(=O)N[C@@H]3CS(=O)(=O)C[C@H]3N3CCOCC3)cc2C1=O ZINC000502719454 1071700841 /nfs/dbraw/zinc/70/08/41/1071700841.db2.gz BOXZAQGRGVPFMJ-IAGOWNOFSA-N 0 0 433.486 -0.304 20 30 IBEDRN C=CCN1C(=O)c2ccc(C(=O)N[C@H]3CS(=O)(=O)C[C@@H]3N3CCOCC3)cc2C1=O ZINC000502719456 1071700788 /nfs/dbraw/zinc/70/07/88/1071700788.db2.gz BOXZAQGRGVPFMJ-IRXDYDNUSA-N 0 0 433.486 -0.304 20 30 IBEDRN C=CCN1C(=O)c2ccc(C(=O)N[C@@H]3CS(=O)(=O)C[C@@H]3N3CCOCC3)cc2C1=O ZINC000502719458 1071700780 /nfs/dbraw/zinc/70/07/80/1071700780.db2.gz BOXZAQGRGVPFMJ-SJORKVTESA-N 0 0 433.486 -0.304 20 30 IBEDRN N#Cc1cnn(-c2ccc(C(=O)N[C@H]3CS(=O)(=O)C[C@H]3N3CCOCC3)cc2)c1N ZINC000502732676 1071703511 /nfs/dbraw/zinc/70/35/11/1071703511.db2.gz MIQURKMWRPIESY-DLBZAZTESA-N 0 0 430.490 -0.446 20 30 IBEDRN N#Cc1cnn(-c2ccc(C(=O)N[C@@H]3CS(=O)(=O)C[C@H]3N3CCOCC3)cc2)c1N ZINC000502732677 1071703341 /nfs/dbraw/zinc/70/33/41/1071703341.db2.gz MIQURKMWRPIESY-IAGOWNOFSA-N 0 0 430.490 -0.446 20 30 IBEDRN N#Cc1cnn(-c2ccc(C(=O)N[C@H]3CS(=O)(=O)C[C@@H]3N3CCOCC3)cc2)c1N ZINC000502732678 1071703476 /nfs/dbraw/zinc/70/34/76/1071703476.db2.gz MIQURKMWRPIESY-IRXDYDNUSA-N 0 0 430.490 -0.446 20 30 IBEDRN N#Cc1cnn(-c2ccc(C(=O)N[C@@H]3CS(=O)(=O)C[C@@H]3N3CCOCC3)cc2)c1N ZINC000502732679 1071703456 /nfs/dbraw/zinc/70/34/56/1071703456.db2.gz MIQURKMWRPIESY-SJORKVTESA-N 0 0 430.490 -0.446 20 30 IBEDRN N#Cc1cccnc1N1CCN(C(=O)Cn2c3ccc(S(N)(=O)=O)cc3oc2=O)CC1 ZINC000502739520 1071701311 /nfs/dbraw/zinc/70/13/11/1071701311.db2.gz RGULJVIVECVKTC-UHFFFAOYSA-N 0 0 442.457 -0.143 20 30 IBEDRN COC(=O)[C@]1(NCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCOC1 ZINC000502745641 1071704300 /nfs/dbraw/zinc/70/43/00/1071704300.db2.gz UCQMUSOXNXPPNR-IBGZPJMESA-N 0 0 436.490 -0.687 20 30 IBEDRN COC(=O)[C@@]1(NCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCOC1 ZINC000502745642 1071704257 /nfs/dbraw/zinc/70/42/57/1071704257.db2.gz UCQMUSOXNXPPNR-LJQANCHMSA-N 0 0 436.490 -0.687 20 30 IBEDRN Cn1c(NC2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)c(C#N)c(=O)n(C)c1=O ZINC000502807162 1071705685 /nfs/dbraw/zinc/70/56/85/1071705685.db2.gz TWEHQUJXQYOACL-UHFFFAOYSA-N 0 0 433.446 -0.788 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000502837519 1071706329 /nfs/dbraw/zinc/70/63/29/1071706329.db2.gz AVIOOGMJIVBXQS-UHFFFAOYSA-N 0 0 429.437 -0.466 20 30 IBEDRN Cn1c2ncn(CC(=O)N3CCN([C@H](C#N)c4cccs4)CC3)c2c(=O)n(C)c1=O ZINC000502867984 1071707082 /nfs/dbraw/zinc/70/70/82/1071707082.db2.gz BUNZGXCRXZMMLB-CYBMUJFWSA-N 0 0 427.490 -0.096 20 30 IBEDRN Cn1c2ncn(CC(=O)N3CCN([C@@H](C#N)c4cccs4)CC3)c2c(=O)n(C)c1=O ZINC000502867985 1071707060 /nfs/dbraw/zinc/70/70/60/1071707060.db2.gz BUNZGXCRXZMMLB-ZDUSSCGKSA-N 0 0 427.490 -0.096 20 30 IBEDRN CS(=O)(=O)[C@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 ZINC000502929824 1071708181 /nfs/dbraw/zinc/70/81/81/1071708181.db2.gz FFEUBOJXKLCQOE-INIZCTEOSA-N 0 0 440.547 -0.490 20 30 IBEDRN CS(=O)(=O)[C@@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 ZINC000502929825 1071708261 /nfs/dbraw/zinc/70/82/61/1071708261.db2.gz FFEUBOJXKLCQOE-MRXNPFEDSA-N 0 0 440.547 -0.490 20 30 IBEDRN N#Cc1ccc(NC(=O)C(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)cc1Cl ZINC000503089456 1071711988 /nfs/dbraw/zinc/71/19/88/1071711988.db2.gz WFLQZQJESJJYTR-UHFFFAOYSA-N 0 0 431.836 -0.030 20 30 IBEDRN N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CCN(C(=O)CO)CC2)CC1 ZINC000503156970 1071713625 /nfs/dbraw/zinc/71/36/25/1071713625.db2.gz WCWFXBOODMFXBB-UHFFFAOYSA-N 0 0 428.449 -0.409 20 30 IBEDRN Cn1cc(S(=O)(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c(=O)n(C)c1=O ZINC000503167598 1071713641 /nfs/dbraw/zinc/71/36/41/1071713641.db2.gz XMYNPXXYKNUZSP-UHFFFAOYSA-N 0 0 446.445 -0.285 20 30 IBEDRN CCOC(=O)CN(CC(N)=O)C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000503202921 1071716576 /nfs/dbraw/zinc/71/65/76/1071716576.db2.gz VEQLKDVMEPLQEY-UHFFFAOYSA-N 0 0 436.490 -0.164 20 30 IBEDRN CCS(=O)(=O)NCCNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000503220042 1071717048 /nfs/dbraw/zinc/71/70/48/1071717048.db2.gz WPZPZTMCUUHSLV-UHFFFAOYSA-N 0 0 429.524 -0.487 20 30 IBEDRN CCS(=O)(=O)NCCNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000503242727 1072895265 /nfs/dbraw/zinc/89/52/65/1072895265.db2.gz MABJCNMXMVXKOX-UHFFFAOYSA-N 0 0 429.524 -0.487 20 30 IBEDRN C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)cc1 ZINC000503270810 1071719074 /nfs/dbraw/zinc/71/90/74/1071719074.db2.gz LPKGSFJLKONUCK-UHFFFAOYSA-N 0 0 443.504 -0.456 20 30 IBEDRN C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN(C(=O)C(=O)NC(C)C)CC2)cc1 ZINC000503284055 1071719595 /nfs/dbraw/zinc/71/95/95/1071719595.db2.gz OKSRNDDNWJXPAY-UHFFFAOYSA-N 0 0 429.477 -0.264 20 30 IBEDRN C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)cc1 ZINC000503286206 1071719549 /nfs/dbraw/zinc/71/95/49/1071719549.db2.gz BASWMHBKXBRLHQ-UHFFFAOYSA-N 0 0 427.461 -0.510 20 30 IBEDRN C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)cc1 ZINC000503311991 1071720438 /nfs/dbraw/zinc/72/04/38/1071720438.db2.gz ACDWBSLXJIVSSZ-UHFFFAOYSA-N 0 0 441.488 -0.166 20 30 IBEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)c(Cl)c1 ZINC000503432476 1072899083 /nfs/dbraw/zinc/89/90/83/1072899083.db2.gz KCVJATSMPRVLEB-UHFFFAOYSA-N 0 0 426.882 -0.097 20 30 IBEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCO[C@H](C(=O)OC)C2)cc1 ZINC000503611881 1071727226 /nfs/dbraw/zinc/72/72/26/1071727226.db2.gz PTGIRMDEUSKJFN-HNNXBMFYSA-N 0 0 425.463 -0.168 20 30 IBEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCO[C@@H](C(=O)OC)C2)cc1 ZINC000503611882 1071727205 /nfs/dbraw/zinc/72/72/05/1071727205.db2.gz PTGIRMDEUSKJFN-OAHLLOKOSA-N 0 0 425.463 -0.168 20 30 IBEDRN COc1ccc(C(=O)N2CCN(C(=O)CC#N)CC2)cc1S(=O)(=O)N1CCOCC1 ZINC000503626354 1071727652 /nfs/dbraw/zinc/72/76/52/1071727652.db2.gz IQMYIIVIHZCDBI-UHFFFAOYSA-N 0 0 436.490 -0.086 20 30 IBEDRN CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N3CCN(C(=O)CC#N)CC3)cc2)CC1 ZINC000503626995 1071728116 /nfs/dbraw/zinc/72/81/16/1071728116.db2.gz INSUXYIPNPGLCC-UHFFFAOYSA-N 0 0 447.517 -0.263 20 30 IBEDRN Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N3CCN(C(=O)CC#N)CC3)CC2)cc1 ZINC000503628628 1071728146 /nfs/dbraw/zinc/72/81/46/1071728146.db2.gz QXLDJOFIAWOKOW-UHFFFAOYSA-N 0 0 433.534 -0.114 20 30 IBEDRN COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCN(C(=O)CC#N)CC1 ZINC000503643557 1071728786 /nfs/dbraw/zinc/72/87/86/1071728786.db2.gz MVRJKRAQYBDTFV-UHFFFAOYSA-N 0 0 436.490 -0.086 20 30 IBEDRN CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)N2CCN(C(=O)CC#N)CC2)c1 ZINC000503646321 1071729324 /nfs/dbraw/zinc/72/93/24/1071729324.db2.gz XETNSRWTBGLRFS-UHFFFAOYSA-N 0 0 449.533 -0.028 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2CCOC[C@@H]2c2noc(-c3cnn(C)c3)n2)C1=O ZINC000503673259 1071730241 /nfs/dbraw/zinc/73/02/41/1071730241.db2.gz UJZOKEYMPBVRTF-GFCCVEGCSA-N 0 0 429.393 -0.653 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2CCOC[C@H]2c2noc(-c3cnn(C)c3)n2)C1=O ZINC000503673260 1071730051 /nfs/dbraw/zinc/73/00/51/1071730051.db2.gz UJZOKEYMPBVRTF-LBPRGKRZSA-N 0 0 429.393 -0.653 20 30 IBEDRN CS(=O)(=O)N1CCN(S(=O)(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000503771439 1071732512 /nfs/dbraw/zinc/73/25/12/1071732512.db2.gz IGWCIVHQLBBIPT-INIZCTEOSA-N 0 0 441.535 -0.535 20 30 IBEDRN CS(=O)(=O)N1CCN(S(=O)(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000503771440 1071732416 /nfs/dbraw/zinc/73/24/16/1071732416.db2.gz IGWCIVHQLBBIPT-MRXNPFEDSA-N 0 0 441.535 -0.535 20 30 IBEDRN CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)c1 ZINC000504005733 1071736142 /nfs/dbraw/zinc/73/61/42/1071736142.db2.gz LLILJSLFZBEZSN-UHFFFAOYSA-N 0 0 449.471 -0.284 20 30 IBEDRN CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)c1 ZINC000504022974 1071736062 /nfs/dbraw/zinc/73/60/62/1071736062.db2.gz QDZPDTVZPJZZNL-UHFFFAOYSA-N 0 0 449.471 -0.284 20 30 IBEDRN CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)c1 ZINC000504040465 1071737089 /nfs/dbraw/zinc/73/70/89/1071737089.db2.gz XGRCKTQZZHBLBM-UHFFFAOYSA-N 0 0 449.471 -0.284 20 30 IBEDRN Cn1cnc2c1c(=O)n(CC(=O)N[C@H]1CCCN(c3ccc(C#N)cc3)C1=O)c(=O)n2C ZINC000504160353 1071739961 /nfs/dbraw/zinc/73/99/61/1071739961.db2.gz BXTZLWAEXCSWBD-HNNXBMFYSA-N 0 0 435.444 -0.383 20 30 IBEDRN Cn1cnc2c1c(=O)n(CC(=O)N[C@@H]1CCCN(c3ccc(C#N)cc3)C1=O)c(=O)n2C ZINC000504160354 1071739388 /nfs/dbraw/zinc/73/93/88/1071739388.db2.gz BXTZLWAEXCSWBD-OAHLLOKOSA-N 0 0 435.444 -0.383 20 30 IBEDRN CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)Cn3c(N)nc(C#N)c3C#N)CC2)c1 ZINC000504172289 1071739950 /nfs/dbraw/zinc/73/99/50/1071739950.db2.gz BTLVBHRPGUBCCH-UHFFFAOYSA-N 0 0 441.473 -0.056 20 30 IBEDRN COc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3c(N)nc(C#N)c3C#N)CC2)cc1 ZINC000504179615 1073355784 /nfs/dbraw/zinc/35/57/84/1073355784.db2.gz AJBCIQCVYSDKCM-UHFFFAOYSA-N 0 0 429.462 -0.250 20 30 IBEDRN Cn1c2ncn(CC(=O)N[C@H]3CCCN(c4ccc(C#N)cc4)C3=O)c2c(=O)n(C)c1=O ZINC000504193478 1071740553 /nfs/dbraw/zinc/74/05/53/1071740553.db2.gz HZZGXEAQNQNCCZ-HNNXBMFYSA-N 0 0 435.444 -0.383 20 30 IBEDRN Cn1c2ncn(CC(=O)N[C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)c2c(=O)n(C)c1=O ZINC000504193479 1071740494 /nfs/dbraw/zinc/74/04/94/1071740494.db2.gz HZZGXEAQNQNCCZ-OAHLLOKOSA-N 0 0 435.444 -0.383 20 30 IBEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCCNC(=O)c2ccn[nH]2)CC1 ZINC000504279039 1071741441 /nfs/dbraw/zinc/74/14/41/1071741441.db2.gz FNSNFBHGXAOCEE-UHFFFAOYSA-N 0 0 431.478 -0.273 20 30 IBEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCCNC(=O)c3ccn[nH]3)CC2)cc1 ZINC000504287509 1071741485 /nfs/dbraw/zinc/74/14/85/1071741485.db2.gz CACCXDSAQIAEJM-UHFFFAOYSA-N 0 0 431.478 -0.273 20 30 IBEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3cccc(C(N)=O)n3)CC2)cc1 ZINC000504456601 1071745827 /nfs/dbraw/zinc/74/58/27/1071745827.db2.gz CYEYGDADFXPMTI-UHFFFAOYSA-N 0 0 442.457 -0.476 20 30 IBEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C(=O)Nc2cccc(C(N)=O)n2)CC1 ZINC000504486273 1071746405 /nfs/dbraw/zinc/74/64/05/1071746405.db2.gz BPRVFLPPJMTLQC-UHFFFAOYSA-N 0 0 442.457 -0.476 20 30 IBEDRN Cc1cc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3cccnc3)CC2)nn1CCC#N ZINC000504536379 1071747351 /nfs/dbraw/zinc/74/73/51/1071747351.db2.gz MMYMMDFGSYCSLV-UHFFFAOYSA-N 0 0 431.478 -0.028 20 30 IBEDRN COC(=O)c1cc(C#N)c(=O)n(CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)c1 ZINC000504549515 1071748219 /nfs/dbraw/zinc/74/82/19/1071748219.db2.gz VUHZEPJMPGKZIQ-UHFFFAOYSA-N 0 0 436.432 -0.468 20 30 IBEDRN Cn1cc(N2CC[C@H](NC(=O)C(=O)N3CCN(Cc4ccc(C#N)cc4)CC3)C2=O)cn1 ZINC000504556752 1071747777 /nfs/dbraw/zinc/74/77/77/1071747777.db2.gz WGSCRZYTORBQAF-IBGZPJMESA-N 0 0 435.488 -0.142 20 30 IBEDRN Cn1cc(N2CC[C@@H](NC(=O)C(=O)N3CCN(Cc4ccc(C#N)cc4)CC3)C2=O)cn1 ZINC000504556753 1071747708 /nfs/dbraw/zinc/74/77/08/1071747708.db2.gz WGSCRZYTORBQAF-LJQANCHMSA-N 0 0 435.488 -0.142 20 30 IBEDRN Cn1cc(N2CC[C@H](NC(=O)C(=O)N[C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2=O)cn1 ZINC000504570757 1071750126 /nfs/dbraw/zinc/75/01/26/1071750126.db2.gz NTSFWOIZMLEAEQ-MSOLQXFVSA-N 0 0 449.471 -0.175 20 30 IBEDRN Cn1cc(N2CC[C@@H](NC(=O)C(=O)N[C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2=O)cn1 ZINC000504570758 1071750224 /nfs/dbraw/zinc/75/02/24/1071750224.db2.gz NTSFWOIZMLEAEQ-QZTJIDSGSA-N 0 0 449.471 -0.175 20 30 IBEDRN Cn1cc(N2CC[C@H](NC(=O)C(=O)N[C@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2=O)cn1 ZINC000504570759 1071750241 /nfs/dbraw/zinc/75/02/41/1071750241.db2.gz NTSFWOIZMLEAEQ-ROUUACIJSA-N 0 0 449.471 -0.175 20 30 IBEDRN Cn1cc(N2CC[C@@H](NC(=O)C(=O)N[C@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2=O)cn1 ZINC000504570760 1071750206 /nfs/dbraw/zinc/75/02/06/1071750206.db2.gz NTSFWOIZMLEAEQ-ZWKOTPCHSA-N 0 0 449.471 -0.175 20 30 IBEDRN Cn1cc(N2CC[C@H](NC(=O)C(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)C2=O)cn1 ZINC000504576699 1071751087 /nfs/dbraw/zinc/75/10/87/1071751087.db2.gz BTPHEBYPYDBOGQ-MSOLQXFVSA-N 0 0 449.471 -0.569 20 30 IBEDRN Cn1cc(N2CC[C@@H](NC(=O)C(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)C2=O)cn1 ZINC000504576700 1071751180 /nfs/dbraw/zinc/75/11/80/1071751180.db2.gz BTPHEBYPYDBOGQ-QZTJIDSGSA-N 0 0 449.471 -0.569 20 30 IBEDRN Cn1cc(N2CC[C@H](NC(=O)C(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)C2=O)cn1 ZINC000504576701 1071751148 /nfs/dbraw/zinc/75/11/48/1071751148.db2.gz BTPHEBYPYDBOGQ-ROUUACIJSA-N 0 0 449.471 -0.569 20 30 IBEDRN Cn1cc(N2CC[C@@H](NC(=O)C(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)C2=O)cn1 ZINC000504576702 1071751158 /nfs/dbraw/zinc/75/11/58/1071751158.db2.gz BTPHEBYPYDBOGQ-ZWKOTPCHSA-N 0 0 449.471 -0.569 20 30 IBEDRN Cn1cc(N2CC[C@H](NC(=O)C(=O)N3CCN(Cc4ccccc4)[C@@H](C#N)C3)C2=O)cn1 ZINC000504609171 1071754711 /nfs/dbraw/zinc/75/47/11/1071754711.db2.gz VMJZYMQNGNJOEH-HKUYNNGSSA-N 0 0 435.488 -0.122 20 30 IBEDRN Cn1cc(N2CC[C@@H](NC(=O)C(=O)N3CCN(Cc4ccccc4)[C@H](C#N)C3)C2=O)cn1 ZINC000504609175 1071754683 /nfs/dbraw/zinc/75/46/83/1071754683.db2.gz VMJZYMQNGNJOEH-IEBWSBKVSA-N 0 0 435.488 -0.122 20 30 IBEDRN Cn1cc(N2CC[C@H](NC(=O)C(=O)N3CCN(Cc4ccccc4)[C@H](C#N)C3)C2=O)cn1 ZINC000504609176 1071754689 /nfs/dbraw/zinc/75/46/89/1071754689.db2.gz VMJZYMQNGNJOEH-MJGOQNOKSA-N 0 0 435.488 -0.122 20 30 IBEDRN Cn1cc(N2CC[C@@H](NC(=O)C(=O)N3CCN(Cc4ccccc4)[C@@H](C#N)C3)C2=O)cn1 ZINC000504609177 1071754636 /nfs/dbraw/zinc/75/46/36/1071754636.db2.gz VMJZYMQNGNJOEH-PKOBYXMFSA-N 0 0 435.488 -0.122 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1=O ZINC000504704375 1072465089 /nfs/dbraw/zinc/46/50/89/1072465089.db2.gz VXGPIYSRIBMMDP-UHFFFAOYSA-N 0 0 438.437 -0.365 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)C1=O ZINC000504739431 1071756590 /nfs/dbraw/zinc/75/65/90/1071756590.db2.gz CYZRGLQYTPJAOG-UHFFFAOYSA-N 0 0 438.437 -0.365 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2N(C)C)C1=O ZINC000504742105 1071756911 /nfs/dbraw/zinc/75/69/11/1071756911.db2.gz OKRLDQYNAGYXJW-UHFFFAOYSA-N 0 0 437.478 -0.082 20 30 IBEDRN CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)n1 ZINC000504748429 1073323524 /nfs/dbraw/zinc/32/35/24/1073323524.db2.gz MUJSCLFQGVCGRO-HNNXBMFYSA-N 0 0 438.510 -0.073 20 30 IBEDRN CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)n1 ZINC000504748430 1073323169 /nfs/dbraw/zinc/32/31/69/1073323169.db2.gz MUJSCLFQGVCGRO-OAHLLOKOSA-N 0 0 438.510 -0.073 20 30 IBEDRN Cc1cc(NC(=O)C(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)nn1CCC#N ZINC000504774199 1071758582 /nfs/dbraw/zinc/75/85/82/1071758582.db2.gz JISXRQHZGAWUNU-HNNXBMFYSA-N 0 0 438.510 -0.303 20 30 IBEDRN Cc1cc(NC(=O)C(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)nn1CCC#N ZINC000504774202 1073323682 /nfs/dbraw/zinc/32/36/82/1073323682.db2.gz JISXRQHZGAWUNU-OAHLLOKOSA-N 0 0 438.510 -0.303 20 30 IBEDRN CC(C)N1C(=O)C(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1=O ZINC000504790975 1071758054 /nfs/dbraw/zinc/75/80/54/1071758054.db2.gz ZTESKKWIJTZNQU-UHFFFAOYSA-N 0 0 447.473 -0.410 20 30 IBEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)Nc2ccc(C)c(S(=O)(=O)NC)c2)c1=O ZINC000504900572 1071761330 /nfs/dbraw/zinc/76/13/30/1071761330.db2.gz ZUNATAIHDFLRJT-UHFFFAOYSA-N 0 0 449.489 -0.601 20 30 IBEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)N(C)CC(=O)Nc2cccc(OC)c2)c1=O ZINC000504927694 1071762931 /nfs/dbraw/zinc/76/29/31/1071762931.db2.gz SRSMKVONTSERMC-UHFFFAOYSA-N 0 0 443.460 -0.351 20 30 IBEDRN Cc1cc(NC(=O)C(=O)N2CCN(S(=O)(=O)CCOC(C)C)CC2)nn1CCC#N ZINC000504999463 1071764041 /nfs/dbraw/zinc/76/40/41/1071764041.db2.gz URKYYMFOMRPEAW-UHFFFAOYSA-N 0 0 440.526 -0.057 20 30 IBEDRN CC1(C#N)CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CC1 ZINC000505002947 1071764059 /nfs/dbraw/zinc/76/40/59/1071764059.db2.gz OEKXMXWZOQJWDI-UHFFFAOYSA-N 0 0 433.490 -0.102 20 30 IBEDRN Cc1cc(NC(=O)C(=O)N2CCN([C@@H](C)C(=O)N3CCOCC3)CC2)nn1CCC#N ZINC000505013474 1074348824 /nfs/dbraw/zinc/34/88/24/1074348824.db2.gz JWUZMXVFNIPDBN-INIZCTEOSA-N 0 0 431.497 -0.565 20 30 IBEDRN Cc1cc(NC(=O)C(=O)N2CCN([C@H](C)C(=O)N3CCOCC3)CC2)nn1CCC#N ZINC000505013475 1074348774 /nfs/dbraw/zinc/34/87/74/1074348774.db2.gz JWUZMXVFNIPDBN-MRXNPFEDSA-N 0 0 431.497 -0.565 20 30 IBEDRN COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)Nc2cc(C)n(CCC#N)n2)CC1 ZINC000505014902 1071764275 /nfs/dbraw/zinc/76/42/75/1071764275.db2.gz RZACPIUOZZYSSP-INIZCTEOSA-N 0 0 433.513 -0.271 20 30 IBEDRN COCCCNC(=O)[C@@H](C)N1CCN(C(=O)C(=O)Nc2cc(C)n(CCC#N)n2)CC1 ZINC000505014909 1073331793 /nfs/dbraw/zinc/33/17/93/1073331793.db2.gz RZACPIUOZZYSSP-MRXNPFEDSA-N 0 0 433.513 -0.271 20 30 IBEDRN COCCCS(=O)(=O)N1CCN(C(=O)C(=O)Nc2cc(C)n(CCC#N)n2)CC1 ZINC000505082916 1074349301 /nfs/dbraw/zinc/34/93/01/1074349301.db2.gz YNCHTLAHYVJBHT-UHFFFAOYSA-N 0 0 426.499 -0.446 20 30 IBEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCNC(=O)c2ccn[nH]2)cc1 ZINC000505237042 1071768810 /nfs/dbraw/zinc/76/88/10/1071768810.db2.gz DELPBDGNLCVBMV-UHFFFAOYSA-N 0 0 434.478 -0.299 20 30 IBEDRN Cn1cnc2c1c(=O)n(CC(=O)N1CCN(c3ccc(C#N)cc3F)CC1)c(=O)n2C ZINC000505411063 1071777291 /nfs/dbraw/zinc/77/72/91/1071777291.db2.gz NWWQAKLUXJAEMF-UHFFFAOYSA-N 0 0 425.424 -0.207 20 30 IBEDRN Cn1c2ncn(CC(=O)N3CCN(c4ccc(C#N)cc4F)CC3)c2c(=O)n(C)c1=O ZINC000505420807 1071780055 /nfs/dbraw/zinc/78/00/55/1071780055.db2.gz NSTCZPDQDIGQKI-UHFFFAOYSA-N 0 0 425.424 -0.207 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2CCNC(=O)[C@H]2Cc2nc3ccccc3o2)C1=O ZINC000505561978 1071823089 /nfs/dbraw/zinc/82/30/89/1071823089.db2.gz NOWIWGYEAFHZIV-CYBMUJFWSA-N 0 0 425.401 -0.326 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2CCNC(=O)[C@@H]2Cc2nc3ccccc3o2)C1=O ZINC000505561979 1071823335 /nfs/dbraw/zinc/82/33/35/1071823335.db2.gz NOWIWGYEAFHZIV-ZDUSSCGKSA-N 0 0 425.401 -0.326 20 30 IBEDRN CCOCCCn1c(=O)c(=Cc2c(C)cnn2C)sc1=C(C#N)C(=O)NCCOC ZINC000505655092 1071858536 /nfs/dbraw/zinc/85/85/36/1071858536.db2.gz ALQTYLGMYXVKCK-UHFFFAOYSA-N 0 0 433.534 -0.356 20 30 IBEDRN Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)NC(C)C)n(CCN2CCOCC2)c1=O ZINC000505655341 1071858506 /nfs/dbraw/zinc/85/85/06/1071858506.db2.gz CMBGORNBJJJDIJ-UHFFFAOYSA-N 0 0 444.561 -0.688 20 30 IBEDRN Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)NC2CC2)n(CCN2CCOCC2)c1=O ZINC000505655424 1071858596 /nfs/dbraw/zinc/85/85/96/1071858596.db2.gz CVLDAZWJKLWDAY-UHFFFAOYSA-N 0 0 442.545 -0.934 20 30 IBEDRN CCn1cc(-n2c(=O)c(=Cc3c(C)cnn3C)sc2=C(C#N)C(=O)NCCOC)cn1 ZINC000505655427 1071858333 /nfs/dbraw/zinc/85/83/33/1071858333.db2.gz BYYBZHYORJSYOQ-UHFFFAOYSA-N 0 0 441.517 -0.577 20 30 IBEDRN COC(=O)CCCn1c(=O)c(=Cc2c(C)cnn2C)sc1=C(C#N)C(=O)NC1CC1 ZINC000505656240 1071859345 /nfs/dbraw/zinc/85/93/45/1071859345.db2.gz BLKUFEDLXUTYHH-UHFFFAOYSA-N 0 0 429.502 -0.313 20 30 IBEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1CCN1CCOCC1 ZINC000505656695 1071857700 /nfs/dbraw/zinc/85/77/00/1071857700.db2.gz FKHPMWIYEGNPBV-UHFFFAOYSA-N 0 0 444.561 -0.687 20 30 IBEDRN Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(Cc2ccon2)c1=O ZINC000505658134 1071857548 /nfs/dbraw/zinc/85/75/48/1071857548.db2.gz HTBRFUCDHUELLW-UHFFFAOYSA-N 0 0 440.485 -0.650 20 30 IBEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1CCCC(=O)OC ZINC000505658155 1071857720 /nfs/dbraw/zinc/85/77/20/1071857720.db2.gz GBQUKGGXBQFFDU-UHFFFAOYSA-N 0 0 431.518 -0.066 20 30 IBEDRN CSCCn1c(=O)c(=Cc2c(C)cnn2C)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000505658335 1071857570 /nfs/dbraw/zinc/85/75/70/1071857570.db2.gz ICTXQDHZUWMGIK-UHFFFAOYSA-N 0 0 433.559 -0.323 20 30 IBEDRN CCOCCCn1c(=O)c(=Cc2c(C)cnn2C)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000505658338 1071857511 /nfs/dbraw/zinc/85/75/11/1071857511.db2.gz IZWDAVUDUKKHCN-UHFFFAOYSA-N 0 0 445.545 -0.260 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1Cc1ccon1 ZINC000505659122 1071861396 /nfs/dbraw/zinc/86/13/96/1071861396.db2.gz JZRPLLACZOJKLU-UHFFFAOYSA-N 0 0 428.474 -0.746 20 30 IBEDRN CCCn1c(=O)c(=Cc2c(C)cnn2C)sc1=C(C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000505659594 1071857740 /nfs/dbraw/zinc/85/77/40/1071857740.db2.gz IANHIRBAYCDNAP-UHFFFAOYSA-N 0 0 449.558 -0.878 20 30 IBEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1CCN1CCOCC1 ZINC000505660342 1071861301 /nfs/dbraw/zinc/86/13/01/1071861301.db2.gz LFGZRXHQFLBZDF-UHFFFAOYSA-N 0 0 442.545 -0.911 20 30 IBEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1CCCC(=O)OC ZINC000505660628 1071861280 /nfs/dbraw/zinc/86/12/80/1071861280.db2.gz JQGSOAIRONBAAR-UHFFFAOYSA-N 0 0 429.502 -0.290 20 30 IBEDRN CCCn1c(=O)c(=Cc2c(C)cnn2C)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000505661114 1071860082 /nfs/dbraw/zinc/86/00/82/1071860082.db2.gz NBRAXSNAYKSAOH-UHFFFAOYSA-N 0 0 444.561 -0.687 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1C[C@@H]1CCOC1 ZINC000505664310 1071859894 /nfs/dbraw/zinc/85/98/94/1071859894.db2.gz PDVJUAUCIGLJDI-AWEZNQCLSA-N 0 0 431.518 -0.746 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1C[C@H]1CCOC1 ZINC000505664311 1071860061 /nfs/dbraw/zinc/86/00/61/1071860061.db2.gz PDVJUAUCIGLJDI-CQSZACIVSA-N 0 0 431.518 -0.746 20 30 IBEDRN Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(C[C@@H]2CCOC2)c1=O ZINC000505665166 1071861839 /nfs/dbraw/zinc/86/18/39/1071861839.db2.gz QRWOCPLOOZMWTO-HNNXBMFYSA-N 0 0 443.529 -0.650 20 30 IBEDRN Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(C[C@H]2CCOC2)c1=O ZINC000505665168 1071861827 /nfs/dbraw/zinc/86/18/27/1071861827.db2.gz QRWOCPLOOZMWTO-OAHLLOKOSA-N 0 0 443.529 -0.650 20 30 IBEDRN Cn1c(=O)c(=Cc2ccc3occc3c2)sc1=C(C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000505665645 1071861923 /nfs/dbraw/zinc/86/19/23/1071861923.db2.gz VMMYQRSKANUURC-UHFFFAOYSA-N 0 0 443.506 -0.047 20 30 IBEDRN COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1Cc1ccon1 ZINC000505665743 1071861786 /nfs/dbraw/zinc/86/17/86/1071861786.db2.gz UVHBUZYQDUVYPD-CYBMUJFWSA-N 0 0 442.501 -0.358 20 30 IBEDRN COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1Cc1ccon1 ZINC000505665745 1071861771 /nfs/dbraw/zinc/86/17/71/1071861771.db2.gz UVHBUZYQDUVYPD-ZDUSSCGKSA-N 0 0 442.501 -0.358 20 30 IBEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1Cc1ccon1 ZINC000505666527 1071861959 /nfs/dbraw/zinc/86/19/59/1071861959.db2.gz XRKONJJOKHTGLM-UHFFFAOYSA-N 0 0 442.501 -0.356 20 30 IBEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1C[C@@H]1CCOC1 ZINC000505666534 1071861907 /nfs/dbraw/zinc/86/19/07/1071861907.db2.gz UDOVTFIUPXKYJQ-HNNXBMFYSA-N 0 0 445.545 -0.356 20 30 IBEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1C[C@H]1CCOC1 ZINC000505666536 1071862054 /nfs/dbraw/zinc/86/20/54/1071862054.db2.gz UDOVTFIUPXKYJQ-OAHLLOKOSA-N 0 0 445.545 -0.356 20 30 IBEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1CCSC ZINC000505666666 1071862706 /nfs/dbraw/zinc/86/27/06/1071862706.db2.gz XRSNQYSEJHNTNB-UHFFFAOYSA-N 0 0 435.575 -0.030 20 30 IBEDRN COC(=O)CCCn1c(=O)c(=Cc2c(C)cnn2C)sc1=C(C#N)C(=O)NC(C)C ZINC000505667107 1071862548 /nfs/dbraw/zinc/86/25/48/1071862548.db2.gz UXOQAZQTUKBTBZ-UHFFFAOYSA-N 0 0 431.518 -0.067 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1CCCC(=O)OC ZINC000505668432 1071862600 /nfs/dbraw/zinc/86/26/00/1071862600.db2.gz ZYXUPLDNUSWCTL-UHFFFAOYSA-N 0 0 447.517 -0.829 20 30 IBEDRN CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 ZINC000505681366 1071865545 /nfs/dbraw/zinc/86/55/45/1071865545.db2.gz ZJWAHGBCLBSKPD-UHFFFAOYSA-N 0 0 449.471 -0.284 20 30 IBEDRN Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)NC2CC2)n(-c2ccc(C(N)=O)cc2)c1=O ZINC000505682597 1071865404 /nfs/dbraw/zinc/86/54/04/1071865404.db2.gz GAWSXVKILUBUAJ-UHFFFAOYSA-N 0 0 448.508 -0.179 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1CCCSC ZINC000505682846 1071865533 /nfs/dbraw/zinc/86/55/33/1071865533.db2.gz HFWVONHFAWOOPD-UHFFFAOYSA-N 0 0 435.575 -0.030 20 30 IBEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000505683893 1071865449 /nfs/dbraw/zinc/86/54/49/1071865449.db2.gz LTWNVDYPIBEWKJ-UHFFFAOYSA-N 0 0 448.508 -0.155 20 30 IBEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3c(C)cnn3C)c(=O)n2C2CC2)CC1 ZINC000505689605 1071866359 /nfs/dbraw/zinc/86/63/59/1071866359.db2.gz IETLUDIETVHTOD-UHFFFAOYSA-N 0 0 426.546 -0.046 20 30 IBEDRN Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)NCCN2CCOCC2)n(C2CC2)c1=O ZINC000505693176 1071866833 /nfs/dbraw/zinc/86/68/33/1071866833.db2.gz CQYCXKRZYBFCSP-UHFFFAOYSA-N 0 0 442.545 -0.762 20 30 IBEDRN C=CCn1c(=O)c(=Cc2c(C)cnn2C)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000505698689 1071868443 /nfs/dbraw/zinc/86/84/43/1071868443.db2.gz AKQQBBXFCBYNPC-UHFFFAOYSA-N 0 0 442.545 -0.911 20 30 IBEDRN Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)C(C)C)n(CCNS(C)(=O)=O)c1=O ZINC000505698846 1071870440 /nfs/dbraw/zinc/87/04/40/1071870440.db2.gz CROKJNLMEAYLFW-UHFFFAOYSA-N 0 0 437.547 -0.771 20 30 IBEDRN C=CCn1c(=O)c(=Cc2c(C)cnn2C)sc1=C(C#N)C(=O)N1CCN(CC)CC1 ZINC000505699547 1071868935 /nfs/dbraw/zinc/86/89/35/1071868935.db2.gz JLMDBQBNTSEJDT-UHFFFAOYSA-N 0 0 426.546 -0.195 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1C[C@@H]1CCCCO1 ZINC000505699710 1071869620 /nfs/dbraw/zinc/86/96/20/1071869620.db2.gz KGNCTNVYTXXRLZ-HNNXBMFYSA-N 0 0 445.545 -0.214 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1C[C@H]1CCCCO1 ZINC000505699711 1071869586 /nfs/dbraw/zinc/86/95/86/1071869586.db2.gz KGNCTNVYTXXRLZ-OAHLLOKOSA-N 0 0 445.545 -0.214 20 30 IBEDRN Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(C[C@@H]2CCCO2)c1=O ZINC000505700121 1071869704 /nfs/dbraw/zinc/86/97/04/1071869704.db2.gz MRRLRYKHAZMTJY-HNNXBMFYSA-N 0 0 443.529 -0.507 20 30 IBEDRN Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(C[C@H]2CCCO2)c1=O ZINC000505700122 1071869645 /nfs/dbraw/zinc/86/96/45/1071869645.db2.gz MRRLRYKHAZMTJY-OAHLLOKOSA-N 0 0 443.529 -0.507 20 30 IBEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1C[C@@H]1CCCO1 ZINC000505700150 1071869494 /nfs/dbraw/zinc/86/94/94/1071869494.db2.gz NCLKKXXAIJLZJU-HNNXBMFYSA-N 0 0 445.545 -0.214 20 30 IBEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1C[C@H]1CCCO1 ZINC000505700151 1071869756 /nfs/dbraw/zinc/86/97/56/1071869756.db2.gz NCLKKXXAIJLZJU-OAHLLOKOSA-N 0 0 445.545 -0.214 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1C[C@@H]1CCCO1 ZINC000505700224 1071870434 /nfs/dbraw/zinc/87/04/34/1071870434.db2.gz NVSBENSUEWPBLO-AWEZNQCLSA-N 0 0 431.518 -0.604 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1C[C@H]1CCCO1 ZINC000505700227 1071870551 /nfs/dbraw/zinc/87/05/51/1071870551.db2.gz NVSBENSUEWPBLO-CQSZACIVSA-N 0 0 431.518 -0.604 20 30 IBEDRN COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1C[C@@H]1CCCO1 ZINC000505701793 1071871068 /nfs/dbraw/zinc/87/10/68/1071871068.db2.gz ZUNJCMPCLHAAIB-CABCVRRESA-N 0 0 445.545 -0.215 20 30 IBEDRN COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1C[C@@H]1CCCO1 ZINC000505701794 1071870819 /nfs/dbraw/zinc/87/08/19/1071870819.db2.gz ZUNJCMPCLHAAIB-GJZGRUSLSA-N 0 0 445.545 -0.215 20 30 IBEDRN COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1C[C@H]1CCCO1 ZINC000505701795 1071871233 /nfs/dbraw/zinc/87/12/33/1071871233.db2.gz ZUNJCMPCLHAAIB-HUUCEWRRSA-N 0 0 445.545 -0.215 20 30 IBEDRN COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1C[C@H]1CCCO1 ZINC000505701796 1071871002 /nfs/dbraw/zinc/87/10/02/1071871002.db2.gz ZUNJCMPCLHAAIB-LSDHHAIUSA-N 0 0 445.545 -0.215 20 30 IBEDRN Cn1c(=O)c(=Cc2ccc(Br)cn2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000505711054 1071880025 /nfs/dbraw/zinc/88/00/25/1071880025.db2.gz RGDJOVXHZYHYGE-UHFFFAOYSA-N 0 0 435.303 -0.034 20 30 IBEDRN CN1CCN(S(=O)(=O)N2CCN(C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CC2)CC1 ZINC000505784855 1072480776 /nfs/dbraw/zinc/48/07/76/1072480776.db2.gz ZJIYIQFGTIRRBV-IBGZPJMESA-N 0 0 443.570 -0.116 20 30 IBEDRN CN1CCN(S(=O)(=O)N2CCN(C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CC2)CC1 ZINC000505784858 1071905114 /nfs/dbraw/zinc/90/51/14/1071905114.db2.gz ZJIYIQFGTIRRBV-LJQANCHMSA-N 0 0 443.570 -0.116 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)NCCNS(=O)(=O)c2ccc(Cl)s2)C1=O ZINC000505806480 1071909286 /nfs/dbraw/zinc/90/92/86/1071909286.db2.gz HUXNMHJQHJIYMJ-UHFFFAOYSA-N 0 0 434.883 -0.227 20 30 IBEDRN CC(C)N1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1=O ZINC000505845979 1071920375 /nfs/dbraw/zinc/92/03/75/1071920375.db2.gz PGNPHVBTVLGOOH-UHFFFAOYSA-N 0 0 433.534 -0.056 20 30 IBEDRN COC(=O)[C@@H]1CCN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)[C@@H](C(=O)OC)C1 ZINC000506037171 1071961048 /nfs/dbraw/zinc/96/10/48/1071961048.db2.gz QQZYSDUATJXCFI-GDBMZVCRSA-N 0 0 433.465 -0.070 20 30 IBEDRN COC(=O)[C@H]1C[C@@H](C(=O)OC)CCN1CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000506037172 1071961151 /nfs/dbraw/zinc/96/11/51/1071961151.db2.gz QQZYSDUATJXCFI-GOEBONIOSA-N 0 0 433.465 -0.070 20 30 IBEDRN COC(=O)[C@H]1CCN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)[C@H](C(=O)OC)C1 ZINC000506037173 1071961140 /nfs/dbraw/zinc/96/11/40/1071961140.db2.gz QQZYSDUATJXCFI-HOCLYGCPSA-N 0 0 433.465 -0.070 20 30 IBEDRN COC(=O)[C@@H]1CCN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)[C@H](C(=O)OC)C1 ZINC000506037174 1071960993 /nfs/dbraw/zinc/96/09/93/1071960993.db2.gz QQZYSDUATJXCFI-ZBFHGGJFSA-N 0 0 433.465 -0.070 20 30 IBEDRN N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CCN(S(N)(=O)=O)CC2)CC1 ZINC000506118900 1071979165 /nfs/dbraw/zinc/97/91/65/1071979165.db2.gz PTSGVYKPCLQRPH-UHFFFAOYSA-N 0 0 449.493 -0.724 20 30 IBEDRN Cc1nn(C)c(N2CCN(C(=O)C(=O)NCc3ccccc3OCCO)CC2)c1C#N ZINC000506205246 1072004897 /nfs/dbraw/zinc/00/48/97/1072004897.db2.gz JEPOTUXUVIWHES-UHFFFAOYSA-N 0 0 426.477 -0.064 20 30 IBEDRN N#Cc1c(Cl)cccc1S(=O)(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000506232960 1072010776 /nfs/dbraw/zinc/01/07/76/1072010776.db2.gz NCPCPYAOAYXWSK-UHFFFAOYSA-N 0 0 426.882 -0.097 20 30 IBEDRN COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)N2CC(O)(CC#N)C2)c1OC ZINC000506361699 1072494249 /nfs/dbraw/zinc/49/42/49/1072494249.db2.gz FUMAYWICJTYAGA-UHFFFAOYSA-N 0 0 425.463 -0.175 20 30 IBEDRN CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CC(O)(CC#N)C1 ZINC000506381962 1072032398 /nfs/dbraw/zinc/03/23/98/1072032398.db2.gz ZRCWQRJSOIKOGR-AWEZNQCLSA-N 0 0 449.938 -0.091 20 30 IBEDRN CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CC(O)(CC#N)C1 ZINC000506381964 1072032436 /nfs/dbraw/zinc/03/24/36/1072032436.db2.gz ZRCWQRJSOIKOGR-CQSZACIVSA-N 0 0 449.938 -0.091 20 30 IBEDRN N#CCC1(O)CN(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1 ZINC000506386665 1072033520 /nfs/dbraw/zinc/03/35/20/1072033520.db2.gz IGJYVVQWHQDQQX-UHFFFAOYSA-N 0 0 438.481 -0.074 20 30 IBEDRN N#CC1(F)CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CC1 ZINC000506548582 1072072700 /nfs/dbraw/zinc/07/27/00/1072072700.db2.gz KUDBPBCTORJJAZ-UHFFFAOYSA-N 0 0 437.453 -0.400 20 30 IBEDRN CN(C)S(=O)(=O)[C@H]1CCCN(C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)C1 ZINC000506704970 1072104473 /nfs/dbraw/zinc/10/44/73/1072104473.db2.gz XYVQCNZSGZUBJG-HNNXBMFYSA-N 0 0 431.478 -0.040 20 30 IBEDRN CN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)C1 ZINC000506704972 1072104571 /nfs/dbraw/zinc/10/45/71/1072104571.db2.gz XYVQCNZSGZUBJG-OAHLLOKOSA-N 0 0 431.478 -0.040 20 30 IBEDRN CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000506720721 1072108487 /nfs/dbraw/zinc/10/84/87/1072108487.db2.gz ZNDVHOYVQDAIPB-DZGCQCFKSA-N 0 0 431.478 -0.088 20 30 IBEDRN CS(=O)(=O)NC[C@H]1CCC[C@@H]1NC(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000506720722 1072108500 /nfs/dbraw/zinc/10/85/00/1072108500.db2.gz ZNDVHOYVQDAIPB-HIFRSBDPSA-N 0 0 431.478 -0.088 20 30 IBEDRN CS(=O)(=O)NC[C@H]1CCC[C@H]1NC(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000506720723 1072108461 /nfs/dbraw/zinc/10/84/61/1072108461.db2.gz ZNDVHOYVQDAIPB-UKRRQHHQSA-N 0 0 431.478 -0.088 20 30 IBEDRN CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000506720724 1072108494 /nfs/dbraw/zinc/10/84/94/1072108494.db2.gz ZNDVHOYVQDAIPB-ZFWWWQNUSA-N 0 0 431.478 -0.088 20 30 IBEDRN CS(=O)(=O)NC[C@H]1CCC[C@@H]1NC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 ZINC000506738934 1072114902 /nfs/dbraw/zinc/11/49/02/1072114902.db2.gz PTEVOYNQRMVIEJ-CVEARBPZSA-N 0 0 445.505 -0.029 20 30 IBEDRN CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 ZINC000506738935 1072114734 /nfs/dbraw/zinc/11/47/34/1072114734.db2.gz PTEVOYNQRMVIEJ-HOTGVXAUSA-N 0 0 445.505 -0.029 20 30 IBEDRN CS(=O)(=O)NC[C@H]1CCC[C@H]1NC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 ZINC000506738936 1072114875 /nfs/dbraw/zinc/11/48/75/1072114875.db2.gz PTEVOYNQRMVIEJ-HZPDHXFCSA-N 0 0 445.505 -0.029 20 30 IBEDRN CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 ZINC000506738937 1072114888 /nfs/dbraw/zinc/11/48/88/1072114888.db2.gz PTEVOYNQRMVIEJ-JKSUJKDBSA-N 0 0 445.505 -0.029 20 30 IBEDRN N#Cc1cccnc1N1CCN(CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)CC1 ZINC000506934818 1072174943 /nfs/dbraw/zinc/17/49/43/1072174943.db2.gz XKANWHNNIJPYLB-GOSISDBHSA-N 0 0 432.550 -0.593 20 30 IBEDRN N#Cc1cccnc1N1CCN(CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)CC1 ZINC000506934826 1072174790 /nfs/dbraw/zinc/17/47/90/1072174790.db2.gz XKANWHNNIJPYLB-SFHVURJKSA-N 0 0 432.550 -0.593 20 30 IBEDRN C=CCn1c(-c2ccco2)nnc1S(=O)(=O)CC(=O)NCCCN(C)S(C)(=O)=O ZINC000506961390 1072176177 /nfs/dbraw/zinc/17/61/77/1072176177.db2.gz QQVYEIISRSYSER-UHFFFAOYSA-N 0 0 445.523 -0.105 20 30 IBEDRN Cc1cc(F)ccc1C=c1sc(=C(C#N)C(=O)NCCN2CCOCC2)n(C)c1=O ZINC000507087124 1072185565 /nfs/dbraw/zinc/18/55/65/1072185565.db2.gz OJZRSUFYWSKRFR-UHFFFAOYSA-N 0 0 430.505 -0.154 20 30 IBEDRN Cn1c(N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000507105897 1072186165 /nfs/dbraw/zinc/18/61/65/1072186165.db2.gz WOWGXSXOSGTDBN-UHFFFAOYSA-N 0 0 429.462 -0.245 20 30 IBEDRN Cn1c(N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000507110555 1072186836 /nfs/dbraw/zinc/18/68/36/1072186836.db2.gz LJNUAXPFLIXMOD-UHFFFAOYSA-N 0 0 429.462 -0.245 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)NCCc2ccc(OC)c(S(N)(=O)=O)c2)CC1 ZINC000507399085 1072200735 /nfs/dbraw/zinc/20/07/35/1072200735.db2.gz BOBQYASJWWTBEM-UHFFFAOYSA-N 0 0 439.538 -0.486 20 30 IBEDRN N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)cn1 ZINC000507438078 1072205622 /nfs/dbraw/zinc/20/56/22/1072205622.db2.gz XJBCAUXZUOLCJA-UHFFFAOYSA-N 0 0 425.448 -0.660 20 30 IBEDRN N#Cc1ccc(S(=O)(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)cn1 ZINC000507478286 1072208113 /nfs/dbraw/zinc/20/81/13/1072208113.db2.gz BZCGDGKDUUANKU-UHFFFAOYSA-N 0 0 436.519 -0.221 20 30 IBEDRN N#Cc1ccc(S(=O)(=O)N(CCCN2CCOCC2)[C@H]2CCS(=O)(=O)C2)cn1 ZINC000507544637 1072212003 /nfs/dbraw/zinc/21/20/03/1072212003.db2.gz LQKIUMXACVMYNR-INIZCTEOSA-N 0 0 428.536 -0.147 20 30 IBEDRN N#Cc1ccc(S(=O)(=O)N(CCCN2CCOCC2)[C@@H]2CCS(=O)(=O)C2)cn1 ZINC000507544639 1072212050 /nfs/dbraw/zinc/21/20/50/1072212050.db2.gz LQKIUMXACVMYNR-MRXNPFEDSA-N 0 0 428.536 -0.147 20 30 IBEDRN C[C@H]1CN(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)nc3)CC2)C[C@H](C)O1 ZINC000507545393 1072211491 /nfs/dbraw/zinc/21/14/91/1072211491.db2.gz ZOASTISESWLFHS-KBPBESRZSA-N 0 0 429.524 -0.386 20 30 IBEDRN C[C@@H]1CN(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)nc3)CC2)C[C@H](C)O1 ZINC000507545399 1072211358 /nfs/dbraw/zinc/21/13/58/1072211358.db2.gz ZOASTISESWLFHS-OKILXGFUSA-N 0 0 429.524 -0.386 20 30 IBEDRN C[C@@H]1CN(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)nc3)CC2)C[C@@H](C)O1 ZINC000507545400 1072211414 /nfs/dbraw/zinc/21/14/14/1072211414.db2.gz ZOASTISESWLFHS-ZIAGYGMSSA-N 0 0 429.524 -0.386 20 30 IBEDRN CN1C(=O)N[C@]2(CCN(C(=O)C(=O)Nc3ccn(-c4ccc(C#N)cc4F)n3)C2)C1=O ZINC000507780351 1072300850 /nfs/dbraw/zinc/30/08/50/1072300850.db2.gz WICUVBACIZWRAD-IBGZPJMESA-N 0 0 425.380 -0.026 20 30 IBEDRN CN1C(=O)N[C@@]2(CCN(C(=O)C(=O)Nc3ccn(-c4ccc(C#N)cc4F)n3)C2)C1=O ZINC000507780353 1072300731 /nfs/dbraw/zinc/30/07/31/1072300731.db2.gz WICUVBACIZWRAD-LJQANCHMSA-N 0 0 425.380 -0.026 20 30 IBEDRN Cc1cc(N2CCC[C@H](N3CCN(c4c(C#N)c(=O)n(C)c(=O)n4C)CC3)C2=O)n(C)n1 ZINC000507908957 1072332521 /nfs/dbraw/zinc/33/25/21/1072332521.db2.gz BXQOHXWYRPPHNK-INIZCTEOSA-N 0 0 440.508 -0.685 20 30 IBEDRN Cc1cc(N2CCC[C@@H](N3CCN(c4c(C#N)c(=O)n(C)c(=O)n4C)CC3)C2=O)n(C)n1 ZINC000507908962 1072332910 /nfs/dbraw/zinc/33/29/10/1072332910.db2.gz BXQOHXWYRPPHNK-MRXNPFEDSA-N 0 0 440.508 -0.685 20 30 IBEDRN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000507942219 1072337226 /nfs/dbraw/zinc/33/72/26/1072337226.db2.gz VYCDSMSFQZMTDE-MSOLQXFVSA-N 0 0 446.533 -0.236 20 30 IBEDRN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000507942222 1072337355 /nfs/dbraw/zinc/33/73/55/1072337355.db2.gz VYCDSMSFQZMTDE-QZTJIDSGSA-N 0 0 446.533 -0.236 20 30 IBEDRN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000507942297 1072337279 /nfs/dbraw/zinc/33/72/79/1072337279.db2.gz VYCDSMSFQZMTDE-ROUUACIJSA-N 0 0 446.533 -0.236 20 30 IBEDRN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000507942298 1072337236 /nfs/dbraw/zinc/33/72/36/1072337236.db2.gz VYCDSMSFQZMTDE-ZWKOTPCHSA-N 0 0 446.533 -0.236 20 30 IBEDRN C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c1 ZINC000507997145 1072342865 /nfs/dbraw/zinc/34/28/65/1072342865.db2.gz DLDAIACSUGGJIA-DLBZAZTESA-N 0 0 443.547 -0.622 20 30 IBEDRN C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c1 ZINC000507997154 1072342859 /nfs/dbraw/zinc/34/28/59/1072342859.db2.gz DLDAIACSUGGJIA-IAGOWNOFSA-N 0 0 443.547 -0.622 20 30 IBEDRN C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c1 ZINC000507997158 1072342822 /nfs/dbraw/zinc/34/28/22/1072342822.db2.gz DLDAIACSUGGJIA-IRXDYDNUSA-N 0 0 443.547 -0.622 20 30 IBEDRN C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c1 ZINC000507997162 1072342917 /nfs/dbraw/zinc/34/29/17/1072342917.db2.gz DLDAIACSUGGJIA-SJORKVTESA-N 0 0 443.547 -0.622 20 30 IBEDRN C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cc1 ZINC000507998899 1072342923 /nfs/dbraw/zinc/34/29/23/1072342923.db2.gz HXIYZNMSYLKKCG-DLBZAZTESA-N 0 0 443.547 -0.622 20 30 IBEDRN C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cc1 ZINC000507998900 1072342881 /nfs/dbraw/zinc/34/28/81/1072342881.db2.gz HXIYZNMSYLKKCG-IAGOWNOFSA-N 0 0 443.547 -0.622 20 30 IBEDRN C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cc1 ZINC000507998901 1072342991 /nfs/dbraw/zinc/34/29/91/1072342991.db2.gz HXIYZNMSYLKKCG-IRXDYDNUSA-N 0 0 443.547 -0.622 20 30 IBEDRN C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cc1 ZINC000507998902 1072343424 /nfs/dbraw/zinc/34/34/24/1072343424.db2.gz HXIYZNMSYLKKCG-SJORKVTESA-N 0 0 443.547 -0.622 20 30 IBEDRN CNC(=O)c1cccc(CCNC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)c1 ZINC000508031267 1072343413 /nfs/dbraw/zinc/34/34/13/1072343413.db2.gz GHXVTOCQGWBJED-UHFFFAOYSA-N 0 0 437.504 -0.033 20 30 IBEDRN N#CCN1CCN(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 ZINC000508073836 1072347707 /nfs/dbraw/zinc/34/77/07/1072347707.db2.gz YGVKBOXTZXFXGR-UHFFFAOYSA-N 0 0 433.534 -0.033 20 30 IBEDRN Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000508093275 1072348667 /nfs/dbraw/zinc/34/86/67/1072348667.db2.gz CQBDZOMVTVXOKO-UHFFFAOYSA-N 0 0 447.521 -0.035 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2CCN([C@H](C(N)=O)c3ccc(Cl)cc3)CC2)C1=O ZINC000508223534 1072356146 /nfs/dbraw/zinc/35/61/46/1072356146.db2.gz YQIPNLRTNTVHLP-INIZCTEOSA-N 0 0 447.879 -0.013 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2CCN([C@@H](C(N)=O)c3ccc(Cl)cc3)CC2)C1=O ZINC000508223539 1072356008 /nfs/dbraw/zinc/35/60/08/1072356008.db2.gz YQIPNLRTNTVHLP-MRXNPFEDSA-N 0 0 447.879 -0.013 20 30 IBEDRN CCS(=O)(=O)NCCCNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000508280047 1072358435 /nfs/dbraw/zinc/35/84/35/1072358435.db2.gz OEYXVZBNYQIGAJ-UHFFFAOYSA-N 0 0 443.551 -0.096 20 30 IBEDRN CCS(=O)(=O)NCCCNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000508281082 1072358479 /nfs/dbraw/zinc/35/84/79/1072358479.db2.gz SWYWADMLXAUQLS-UHFFFAOYSA-N 0 0 443.551 -0.096 20 30 IBEDRN CCN1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NCCn3cnc(C#N)n3)cc2)CC1 ZINC000508305072 1072360517 /nfs/dbraw/zinc/36/05/17/1072360517.db2.gz KAROFUVDZDYLGH-UHFFFAOYSA-N 0 0 438.492 -0.389 20 30 IBEDRN Cc1ccc(NC(=O)C(=O)NCCn2cnc(C#N)n2)c(C)c1S(=O)(=O)NC1CC1 ZINC000508307020 1072359420 /nfs/dbraw/zinc/35/94/20/1072359420.db2.gz CRPDHWVFFUHBKB-UHFFFAOYSA-N 0 0 431.478 -0.038 20 30 IBEDRN COc1ccc(S(=O)(=O)NC(C)(C)C)cc1NC(=O)C(=O)NCCn1cnc(C#N)n1 ZINC000508314303 1072360896 /nfs/dbraw/zinc/36/08/96/1072360896.db2.gz CJZZKFAJMJFAKR-UHFFFAOYSA-N 0 0 449.493 -0.010 20 30 IBEDRN CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(=O)NCCn1cnc(C#N)n1 ZINC000508318904 1072361330 /nfs/dbraw/zinc/36/13/30/1072361330.db2.gz OJXPPENFAQWVMM-UHFFFAOYSA-N 0 0 445.505 -0.114 20 30 IBEDRN CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)C(=O)NCCn2cnc(C#N)n2)c1 ZINC000508329058 1072360966 /nfs/dbraw/zinc/36/09/66/1072360966.db2.gz YDFOSANNYBQOFS-UHFFFAOYSA-N 0 0 449.493 -0.056 20 30 IBEDRN CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NCCn1cnc(C#N)n1 ZINC000508339725 1072362359 /nfs/dbraw/zinc/36/23/59/1072362359.db2.gz JHYWJAFFYUCGCM-UHFFFAOYSA-N 0 0 435.466 -0.446 20 30 IBEDRN CC(C)Oc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NCCn1cnc(C#N)n1 ZINC000508344699 1072362805 /nfs/dbraw/zinc/36/28/05/1072362805.db2.gz UQUOYWVECPUNBQ-UHFFFAOYSA-N 0 0 449.493 -0.058 20 30 IBEDRN N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](CO)CN3CCOCC3)CC2)cc1 ZINC000508346137 1072362792 /nfs/dbraw/zinc/36/27/92/1072362792.db2.gz WWJAMNIYDDWGFL-GOSISDBHSA-N 0 0 436.534 -0.232 20 30 IBEDRN N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](CO)CN3CCOCC3)CC2)cc1 ZINC000508346138 1072362940 /nfs/dbraw/zinc/36/29/40/1072362940.db2.gz WWJAMNIYDDWGFL-SFHVURJKSA-N 0 0 436.534 -0.232 20 30 IBEDRN C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)cc1 ZINC000508381226 1072396959 /nfs/dbraw/zinc/39/69/59/1072396959.db2.gz HMRPULGJOWGTQM-DLBZAZTESA-N 0 0 443.547 -0.933 20 30 IBEDRN C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)cc1 ZINC000508381227 1072397041 /nfs/dbraw/zinc/39/70/41/1072397041.db2.gz HMRPULGJOWGTQM-IAGOWNOFSA-N 0 0 443.547 -0.933 20 30 IBEDRN C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)cc1 ZINC000508381228 1072397062 /nfs/dbraw/zinc/39/70/62/1072397062.db2.gz HMRPULGJOWGTQM-IRXDYDNUSA-N 0 0 443.547 -0.933 20 30 IBEDRN C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)cc1 ZINC000508381229 1072396765 /nfs/dbraw/zinc/39/67/65/1072396765.db2.gz HMRPULGJOWGTQM-SJORKVTESA-N 0 0 443.547 -0.933 20 30 IBEDRN C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)c1 ZINC000508384696 1072408940 /nfs/dbraw/zinc/40/89/40/1072408940.db2.gz VGABXJOYAWKQMG-DLBZAZTESA-N 0 0 443.547 -0.933 20 30 IBEDRN C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)c1 ZINC000508384698 1072409088 /nfs/dbraw/zinc/40/90/88/1072409088.db2.gz VGABXJOYAWKQMG-IAGOWNOFSA-N 0 0 443.547 -0.933 20 30 IBEDRN C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)c1 ZINC000508384701 1072408984 /nfs/dbraw/zinc/40/89/84/1072408984.db2.gz VGABXJOYAWKQMG-IRXDYDNUSA-N 0 0 443.547 -0.933 20 30 IBEDRN C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)c1 ZINC000508384703 1072409047 /nfs/dbraw/zinc/40/90/47/1072409047.db2.gz VGABXJOYAWKQMG-SJORKVTESA-N 0 0 443.547 -0.933 20 30 IBEDRN Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000508405446 1072455371 /nfs/dbraw/zinc/45/53/71/1072455371.db2.gz MCXNSMGYQAYFGE-UHFFFAOYSA-N 0 0 439.476 -0.227 20 30 IBEDRN C=CCn1c(-c2ccc(S(C)(=O)=O)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000508471279 1072589284 /nfs/dbraw/zinc/58/92/84/1072589284.db2.gz FTUWBZPVZBOXLL-AWEZNQCLSA-N 0 0 430.490 -0.318 20 30 IBEDRN C=CCn1c(-c2ccc(S(C)(=O)=O)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000508471280 1072589252 /nfs/dbraw/zinc/58/92/52/1072589252.db2.gz FTUWBZPVZBOXLL-CQSZACIVSA-N 0 0 430.490 -0.318 20 30 IBEDRN C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000508489252 1072623310 /nfs/dbraw/zinc/62/33/10/1072623310.db2.gz MMSIWLZNXOTSPW-AWEZNQCLSA-N 0 0 430.490 -0.318 20 30 IBEDRN C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000508489253 1072623173 /nfs/dbraw/zinc/62/31/73/1072623173.db2.gz MMSIWLZNXOTSPW-CQSZACIVSA-N 0 0 430.490 -0.318 20 30 IBEDRN C=CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000508510417 1072659847 /nfs/dbraw/zinc/65/98/47/1072659847.db2.gz RFRNQEOCILGRKV-CYBMUJFWSA-N 0 0 444.521 -0.429 20 30 IBEDRN C=CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000508510418 1072659715 /nfs/dbraw/zinc/65/97/15/1072659715.db2.gz RFRNQEOCILGRKV-ZDUSSCGKSA-N 0 0 444.521 -0.429 20 30 IBEDRN N#Cc1ccc(N2CCC[C@H](NC(=O)N3CCN(C(=O)Cn4cnnn4)CC3)C2=O)cc1 ZINC000508618579 1072861129 /nfs/dbraw/zinc/86/11/29/1072861129.db2.gz DDWRSSSWMPQEAK-KRWDZBQOSA-N 0 0 437.464 -0.406 20 30 IBEDRN N#Cc1ccc(N2CCC[C@@H](NC(=O)N3CCN(C(=O)Cn4cnnn4)CC3)C2=O)cc1 ZINC000508618582 1072861116 /nfs/dbraw/zinc/86/11/16/1072861116.db2.gz DDWRSSSWMPQEAK-QGZVFWFLSA-N 0 0 437.464 -0.406 20 30 IBEDRN C=CCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000508695916 1072959588 /nfs/dbraw/zinc/95/95/88/1072959588.db2.gz FSSWVBWOABNFBO-UHFFFAOYSA-N 0 0 431.497 -0.793 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2cc(F)ccc2N2CCOCC2)CC1 ZINC000508720134 1072961069 /nfs/dbraw/zinc/96/10/69/1072961069.db2.gz MCSQTODWTCBXRQ-UHFFFAOYSA-N 0 0 447.511 -0.275 20 30 IBEDRN C=CCn1c(C(=O)N2CCCC2)nnc1N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000508732948 1072962555 /nfs/dbraw/zinc/96/25/55/1072962555.db2.gz JZZOMXAYLPXKGK-UHFFFAOYSA-N 0 0 439.542 -0.601 20 30 IBEDRN C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(=O)NCCOC)CC1 ZINC000508800465 1071549393 /nfs/dbraw/zinc/54/93/93/1071549393.db2.gz GIGMKADPUTXBIK-UHFFFAOYSA-N 0 0 428.497 -0.004 20 30 IBEDRN C=CCn1c(Cn2nc(C)cc2C)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 ZINC000508801607 1071548762 /nfs/dbraw/zinc/54/87/62/1071548762.db2.gz MDMDWKUBXRFEFO-UHFFFAOYSA-N 0 0 440.512 -0.208 20 30 IBEDRN C=CCn1c([C@H](C)OCCOC)nnc1N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000508810570 1071553952 /nfs/dbraw/zinc/55/39/52/1071553952.db2.gz PTCAQBDLGIZGCP-INIZCTEOSA-N 0 0 444.558 -0.113 20 30 IBEDRN C=CCn1c([C@@H](C)OCCOC)nnc1N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000508810573 1071553919 /nfs/dbraw/zinc/55/39/19/1071553919.db2.gz PTCAQBDLGIZGCP-MRXNPFEDSA-N 0 0 444.558 -0.113 20 30 IBEDRN C=CCn1c([C@H](C)OCCOC)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000508817718 1071583698 /nfs/dbraw/zinc/58/36/98/1071583698.db2.gz PCPKTAICNRZPFF-INIZCTEOSA-N 0 0 436.513 -0.305 20 30 IBEDRN C=CCn1c([C@@H](C)OCCOC)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000508817722 1071583703 /nfs/dbraw/zinc/58/37/03/1071583703.db2.gz PCPKTAICNRZPFF-MRXNPFEDSA-N 0 0 436.513 -0.305 20 30 IBEDRN C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC(=O)OC)CC1 ZINC000508826997 1072415554 /nfs/dbraw/zinc/41/55/54/1072415554.db2.gz KOPMEOYKQWUNAN-AWEZNQCLSA-N 0 0 428.515 -0.908 20 30 IBEDRN C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(CC(=O)OC)CC1 ZINC000508826998 1072415546 /nfs/dbraw/zinc/41/55/46/1072415546.db2.gz KOPMEOYKQWUNAN-CQSZACIVSA-N 0 0 428.515 -0.908 20 30 IBEDRN C=CCn1c(C(=O)NC(CC)CC)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 ZINC000508829706 1072416212 /nfs/dbraw/zinc/41/62/12/1072416212.db2.gz ZUCXAMJIIZOLQC-UHFFFAOYSA-N 0 0 445.528 -0.151 20 30 IBEDRN C=CCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000508845937 1072438935 /nfs/dbraw/zinc/43/89/35/1072438935.db2.gz PPFULFFDPIDTIB-CYBMUJFWSA-N 0 0 434.460 -0.475 20 30 IBEDRN C=CCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000508845940 1072439520 /nfs/dbraw/zinc/43/95/20/1072439520.db2.gz PPFULFFDPIDTIB-ZDUSSCGKSA-N 0 0 434.460 -0.475 20 30 IBEDRN C=CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000508857050 1072464999 /nfs/dbraw/zinc/46/49/99/1072464999.db2.gz MSQKKHVJORTXOB-INIZCTEOSA-N 0 0 437.508 -0.215 20 30 IBEDRN C=CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000508857051 1072464979 /nfs/dbraw/zinc/46/49/79/1072464979.db2.gz MSQKKHVJORTXOB-MRXNPFEDSA-N 0 0 437.508 -0.215 20 30 IBEDRN C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000508886306 1072722165 /nfs/dbraw/zinc/72/21/65/1072722165.db2.gz ZHVYVJSOCIZWQK-AWEZNQCLSA-N 0 0 439.542 -0.655 20 30 IBEDRN C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000508886307 1072722279 /nfs/dbraw/zinc/72/22/79/1072722279.db2.gz ZHVYVJSOCIZWQK-CQSZACIVSA-N 0 0 439.542 -0.655 20 30 IBEDRN C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 ZINC000508887817 1072741911 /nfs/dbraw/zinc/74/19/11/1072741911.db2.gz KPUVUENTWACTTF-CYBMUJFWSA-N 0 0 434.526 -0.105 20 30 IBEDRN C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 ZINC000508887818 1072746239 /nfs/dbraw/zinc/74/62/39/1072746239.db2.gz KPUVUENTWACTTF-ZDUSSCGKSA-N 0 0 434.526 -0.105 20 30 IBEDRN C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(=O)N2CCCC2)CC1 ZINC000508888763 1072835906 /nfs/dbraw/zinc/83/59/06/1072835906.db2.gz PJFUWVOMSAFTMH-HNNXBMFYSA-N 0 0 425.559 -0.181 20 30 IBEDRN C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(=O)N2CCCC2)CC1 ZINC000508888764 1072835921 /nfs/dbraw/zinc/83/59/21/1072835921.db2.gz PJFUWVOMSAFTMH-OAHLLOKOSA-N 0 0 425.559 -0.181 20 30 IBEDRN C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000508893877 1073124769 /nfs/dbraw/zinc/12/47/69/1073124769.db2.gz ISOHIKMSBRFSGD-HNNXBMFYSA-N 0 0 441.558 -0.945 20 30 IBEDRN C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000508893878 1073124944 /nfs/dbraw/zinc/12/49/44/1073124944.db2.gz ISOHIKMSBRFSGD-OAHLLOKOSA-N 0 0 441.558 -0.945 20 30 IBEDRN C=CCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000508896822 1073139604 /nfs/dbraw/zinc/13/96/04/1073139604.db2.gz UMAPFCPBGXJEBN-UHFFFAOYSA-N 0 0 425.493 -0.043 20 30 IBEDRN C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 ZINC000508937810 1073226613 /nfs/dbraw/zinc/22/66/13/1073226613.db2.gz DGWQBBJVQHUFRP-CYBMUJFWSA-N 0 0 427.531 -0.753 20 30 IBEDRN C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 ZINC000508937811 1073226694 /nfs/dbraw/zinc/22/66/94/1073226694.db2.gz DGWQBBJVQHUFRP-ZDUSSCGKSA-N 0 0 427.531 -0.753 20 30 IBEDRN COC(=O)c1cc(I)cc(NC(=O)C(=O)NCC(=O)NCC#N)c1 ZINC000508939379 1073227080 /nfs/dbraw/zinc/22/70/80/1073227080.db2.gz ASGLHSGAQBLJAP-UHFFFAOYSA-N 0 0 444.185 -0.228 20 30 IBEDRN CCOc1ccc(NC(=O)C(=O)NCC(=O)NCC#N)cc1S(=O)(=O)N(CC)CC ZINC000508939731 1073226658 /nfs/dbraw/zinc/22/66/58/1073226658.db2.gz BKRYTCAPYFIDTE-UHFFFAOYSA-N 0 0 439.494 -0.190 20 30 IBEDRN CCOc1ccc(NC(=O)C(=O)NCC(=O)NCC#N)cc1S(=O)(=O)N1CCCC1 ZINC000508942523 1073227550 /nfs/dbraw/zinc/22/75/50/1073227550.db2.gz RBDVNXOFYFTFHT-UHFFFAOYSA-N 0 0 437.478 -0.436 20 30 IBEDRN COC(=O)c1cc(Br)c(OC)cc1NC(=O)C(=O)NCC(=O)NCC#N ZINC000508944098 1073228060 /nfs/dbraw/zinc/22/80/60/1073228060.db2.gz XUHFKPXNJNHUTL-UHFFFAOYSA-N 0 0 427.211 -0.061 20 30 IBEDRN C=CCn1c(C(=O)NC(C)C)nnc1N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000508944468 1073227373 /nfs/dbraw/zinc/22/73/73/1073227373.db2.gz FBJVOUXKBUDDBD-UHFFFAOYSA-N 0 0 427.531 -0.699 20 30 IBEDRN C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ncccc2C(N)=O)CC1 ZINC000508945697 1073228018 /nfs/dbraw/zinc/22/80/18/1073228018.db2.gz NGRGVDOYKUCKDW-CYBMUJFWSA-N 0 0 434.526 -0.105 20 30 IBEDRN C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ncccc2C(N)=O)CC1 ZINC000508945698 1073227937 /nfs/dbraw/zinc/22/79/37/1073227937.db2.gz NGRGVDOYKUCKDW-ZDUSSCGKSA-N 0 0 434.526 -0.105 20 30 IBEDRN C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000508948177 1073227947 /nfs/dbraw/zinc/22/79/47/1073227947.db2.gz ZHAVDYANSZYOFR-HNNXBMFYSA-N 0 0 441.558 -0.945 20 30 IBEDRN C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000508948178 1073227915 /nfs/dbraw/zinc/22/79/15/1073227915.db2.gz ZHAVDYANSZYOFR-OAHLLOKOSA-N 0 0 441.558 -0.945 20 30 IBEDRN C=CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000508951790 1073228024 /nfs/dbraw/zinc/22/80/24/1073228024.db2.gz OELOITQENAYRJP-UHFFFAOYSA-N 0 0 442.524 -0.167 20 30 IBEDRN CC(C)Oc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NCC(=O)NCC#N ZINC000508954481 1073228762 /nfs/dbraw/zinc/22/87/62/1073228762.db2.gz ZNEUDDNTQQNPOH-UHFFFAOYSA-N 0 0 425.467 -0.581 20 30 IBEDRN N#CCNC(=O)CNC(=O)C(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000508961136 1073230302 /nfs/dbraw/zinc/23/03/02/1073230302.db2.gz SUMXKRSZSOOGDL-UHFFFAOYSA-N 0 0 433.490 -0.494 20 30 IBEDRN C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](N2CCOCC2)C1 ZINC000508965866 1073230724 /nfs/dbraw/zinc/23/07/24/1073230724.db2.gz XNHOPVUKPMQCND-CVEARBPZSA-N 0 0 426.543 -0.292 20 30 IBEDRN C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](N2CCOCC2)C1 ZINC000508965869 1073230671 /nfs/dbraw/zinc/23/06/71/1073230671.db2.gz XNHOPVUKPMQCND-HOTGVXAUSA-N 0 0 426.543 -0.292 20 30 IBEDRN C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](N2CCOCC2)C1 ZINC000508965871 1073230710 /nfs/dbraw/zinc/23/07/10/1073230710.db2.gz XNHOPVUKPMQCND-HZPDHXFCSA-N 0 0 426.543 -0.292 20 30 IBEDRN C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](N2CCOCC2)C1 ZINC000508965873 1073230761 /nfs/dbraw/zinc/23/07/61/1073230761.db2.gz XNHOPVUKPMQCND-JKSUJKDBSA-N 0 0 426.543 -0.292 20 30 IBEDRN Cn1c2cc(NC(=O)C(=O)NCC(=O)NCC#N)c(N3CCCCC3)cc2n(C)c1=O ZINC000508970095 1073231171 /nfs/dbraw/zinc/23/11/71/1073231171.db2.gz ORXNVOLORHTPSN-UHFFFAOYSA-N 0 0 427.465 -0.438 20 30 IBEDRN CCN(CC)S(=O)(=O)c1ccc(N(C)C)c(NC(=O)C(=O)NCC(=O)NCC#N)c1 ZINC000508981986 1073232285 /nfs/dbraw/zinc/23/22/85/1073232285.db2.gz QOBSAJPYFMLOAA-UHFFFAOYSA-N 0 0 438.510 -0.522 20 30 IBEDRN C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)C(=O)NCC(=O)NCC#N)cc2)C[C@H](C)O1 ZINC000508982556 1073232482 /nfs/dbraw/zinc/23/24/82/1073232482.db2.gz AFLNXROADYNUBR-BETUJISGSA-N 0 0 437.478 -0.821 20 30 IBEDRN C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)C(=O)NCC(=O)NCC#N)cc2)C[C@@H](C)O1 ZINC000508982559 1073232265 /nfs/dbraw/zinc/23/22/65/1073232265.db2.gz AFLNXROADYNUBR-CHWSQXEVSA-N 0 0 437.478 -0.821 20 30 IBEDRN C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)C(=O)NCC(=O)NCC#N)cc2)C[C@H](C)O1 ZINC000508982561 1073232450 /nfs/dbraw/zinc/23/24/50/1073232450.db2.gz AFLNXROADYNUBR-STQMWFEESA-N 0 0 437.478 -0.821 20 30 IBEDRN CN(C)C(=O)Cn1nc2n(c1=O)CCN(c1nnc(COc3ccc(C#N)cc3)n1C)C2 ZINC000508985278 1073232490 /nfs/dbraw/zinc/23/24/90/1073232490.db2.gz XUPQMRJUPKNDDJ-UHFFFAOYSA-N 0 0 437.464 -0.268 20 30 IBEDRN C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 ZINC000508992741 1073232723 /nfs/dbraw/zinc/23/27/23/1073232723.db2.gz BCHCZQDTQCZLFL-UHFFFAOYSA-N 0 0 442.509 -0.209 20 30 IBEDRN C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 ZINC000508995691 1073233228 /nfs/dbraw/zinc/23/32/28/1073233228.db2.gz CWUYDVQUTQRDRS-UHFFFAOYSA-N 0 0 447.467 -0.558 20 30 IBEDRN C=CCn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000508995800 1073233236 /nfs/dbraw/zinc/23/32/36/1073233236.db2.gz MNNIPFKHOFCUHS-UHFFFAOYSA-N 0 0 447.540 -0.110 20 30 IBEDRN C=CCn1c([C@@H]2COCCO2)nnc1N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000508996278 1073233250 /nfs/dbraw/zinc/23/32/50/1073233250.db2.gz GAAZYPMVDFXXMK-HNNXBMFYSA-N 0 0 428.515 -0.749 20 30 IBEDRN C=CCn1c([C@H]2COCCO2)nnc1N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000508996279 1073233244 /nfs/dbraw/zinc/23/32/44/1073233244.db2.gz GAAZYPMVDFXXMK-OAHLLOKOSA-N 0 0 428.515 -0.749 20 30 IBEDRN COc1ccc(NC(=O)C(=O)NCC(=O)NCC#N)cc1S(=O)(=O)N1CCCCC1 ZINC000508996394 1073233174 /nfs/dbraw/zinc/23/31/74/1073233174.db2.gz JPKREOZILODEJJ-UHFFFAOYSA-N 0 0 437.478 -0.436 20 30 IBEDRN COc1ccc(S(=O)(=O)NC(C)(C)C)cc1NC(=O)C(=O)NCC(=O)NCC#N ZINC000508998153 1073233319 /nfs/dbraw/zinc/23/33/19/1073233319.db2.gz MIVGAIUMJRUJHV-UHFFFAOYSA-N 0 0 425.467 -0.534 20 30 IBEDRN C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 ZINC000508999271 1073233197 /nfs/dbraw/zinc/23/31/97/1073233197.db2.gz GSDVYYZJKAVILL-KBPBESRZSA-N 0 0 425.559 -0.137 20 30 IBEDRN C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 ZINC000508999279 1073233639 /nfs/dbraw/zinc/23/36/39/1073233639.db2.gz GSDVYYZJKAVILL-KGLIPLIRSA-N 0 0 425.559 -0.137 20 30 IBEDRN C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 ZINC000508999282 1073233741 /nfs/dbraw/zinc/23/37/41/1073233741.db2.gz GSDVYYZJKAVILL-UONOGXRCSA-N 0 0 425.559 -0.137 20 30 IBEDRN C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 ZINC000508999286 1073233699 /nfs/dbraw/zinc/23/36/99/1073233699.db2.gz GSDVYYZJKAVILL-ZIAGYGMSSA-N 0 0 425.559 -0.137 20 30 IBEDRN COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C(=O)NCC(=O)NCC#N ZINC000508999301 1073233730 /nfs/dbraw/zinc/23/37/30/1073233730.db2.gz OIQHTDSMBJBDJT-UHFFFAOYSA-N 0 0 437.478 -0.436 20 30 IBEDRN N#CCNC(=O)CNC(=O)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000509005723 1073234166 /nfs/dbraw/zinc/23/41/66/1073234166.db2.gz VPOUAZOBWJQIHI-UHFFFAOYSA-N 0 0 427.870 -0.181 20 30 IBEDRN C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(=O)CCOC)CC1 ZINC000509011747 1073234263 /nfs/dbraw/zinc/23/42/63/1073234263.db2.gz NRHKSOZKBBNPNR-HNNXBMFYSA-N 0 0 442.542 -0.518 20 30 IBEDRN C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(=O)CCOC)CC1 ZINC000509011751 1073234302 /nfs/dbraw/zinc/23/43/02/1073234302.db2.gz NRHKSOZKBBNPNR-OAHLLOKOSA-N 0 0 442.542 -0.518 20 30 IBEDRN COc1cc(OC)c(Cn2nccc2NC(=O)C(=O)NCC(=O)NCC#N)c(OC)c1 ZINC000509015859 1073234082 /nfs/dbraw/zinc/23/40/82/1073234082.db2.gz MFLVFMRXYWGCIT-UHFFFAOYSA-N 0 0 430.421 -0.348 20 30 IBEDRN CCOc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)C(=O)NCC(=O)NCC#N ZINC000509016628 1073234652 /nfs/dbraw/zinc/23/46/52/1073234652.db2.gz NZLPWVYGCMEYMO-UHFFFAOYSA-N 0 0 439.494 -0.190 20 30 IBEDRN CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)C(=O)NCC(=O)NCC#N)c1 ZINC000509017522 1073234280 /nfs/dbraw/zinc/23/42/80/1073234280.db2.gz RXNXNUPCWBJYHZ-UHFFFAOYSA-N 0 0 425.467 -0.580 20 30 IBEDRN Cc1nnc(CN(C)CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n1C ZINC000509111296 1073239457 /nfs/dbraw/zinc/23/94/57/1073239457.db2.gz PHEGMHBYKHXJDA-UHFFFAOYSA-N 0 0 431.522 -0.040 20 30 IBEDRN Cc1nnc(CN(C)CC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1C ZINC000509119889 1073239945 /nfs/dbraw/zinc/23/99/45/1073239945.db2.gz DSUDEBTVZYCVMI-UHFFFAOYSA-N 0 0 431.522 -0.040 20 30 IBEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@H]3CS(=O)(=O)CCO3)CC2)cc1 ZINC000509135650 1073243907 /nfs/dbraw/zinc/24/39/07/1073243907.db2.gz HTGKGPYQDFICRD-HNNXBMFYSA-N 0 0 442.519 -0.612 20 30 IBEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@@H]3CS(=O)(=O)CCO3)CC2)cc1 ZINC000509135651 1073243900 /nfs/dbraw/zinc/24/39/00/1073243900.db2.gz HTGKGPYQDFICRD-OAHLLOKOSA-N 0 0 442.519 -0.612 20 30 IBEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NC[C@H]2CS(=O)(=O)CCO2)CC1 ZINC000509154886 1073246242 /nfs/dbraw/zinc/24/62/42/1073246242.db2.gz OOSYLOBUFPBGEK-HNNXBMFYSA-N 0 0 442.519 -0.612 20 30 IBEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NC[C@@H]2CS(=O)(=O)CCO2)CC1 ZINC000509154891 1073246254 /nfs/dbraw/zinc/24/62/54/1073246254.db2.gz OOSYLOBUFPBGEK-OAHLLOKOSA-N 0 0 442.519 -0.612 20 30 IBEDRN CCO[C@@H](CNS(=O)(=O)N(C)[C@H](C)CC#N)CNS(=O)(=O)N(C)[C@@H](C)CC#N ZINC000509221725 1073262597 /nfs/dbraw/zinc/26/25/97/1073262597.db2.gz CXLPHNJSVGIDPA-FICVDOATSA-N 0 0 438.576 -0.472 20 30 IBEDRN CCOC(CNS(=O)(=O)N(C)[C@@H](C)CC#N)CNS(=O)(=O)N(C)[C@@H](C)CC#N ZINC000509221726 1073262558 /nfs/dbraw/zinc/26/25/58/1073262558.db2.gz CXLPHNJSVGIDPA-KBPBESRZSA-N 0 0 438.576 -0.472 20 30 IBEDRN CCOC(CNS(=O)(=O)N(C)[C@H](C)CC#N)CNS(=O)(=O)N(C)[C@H](C)CC#N ZINC000509221727 1073262550 /nfs/dbraw/zinc/26/25/50/1073262550.db2.gz CXLPHNJSVGIDPA-ZIAGYGMSSA-N 0 0 438.576 -0.472 20 30 IBEDRN C[C@H](CC#N)N(C)S(=O)(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 ZINC000509227197 1073265403 /nfs/dbraw/zinc/26/54/03/1073265403.db2.gz YKSMAKRIURIUHO-GFCCVEGCSA-N 0 0 430.508 -0.101 20 30 IBEDRN C[C@@H](CC#N)N(C)S(=O)(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 ZINC000509227198 1073265421 /nfs/dbraw/zinc/26/54/21/1073265421.db2.gz YKSMAKRIURIUHO-LBPRGKRZSA-N 0 0 430.508 -0.101 20 30 IBEDRN COc1cc(C#N)ccc1OCC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000509243154 1073278521 /nfs/dbraw/zinc/27/85/21/1073278521.db2.gz JLSGFOZLOUUSRU-UHFFFAOYSA-N 0 0 437.522 -0.418 20 30 IBEDRN COCCN1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1=O ZINC000509455099 1073598185 /nfs/dbraw/zinc/59/81/85/1073598185.db2.gz YISHOXMICIJWJE-UHFFFAOYSA-N 0 0 449.533 -0.818 20 30 IBEDRN CN(CC(=O)N1CCC(n2cnc(C(N)=O)c2N)CC1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000509492523 1074437111 /nfs/dbraw/zinc/43/71/11/1074437111.db2.gz LZDYZJIUEQSGPC-UHFFFAOYSA-N 0 0 445.505 -0.080 20 30 IBEDRN CN(CC(=O)NCc1ccc(C(=O)NCC(N)=O)cc1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000509567285 1072034398 /nfs/dbraw/zinc/03/43/98/1072034398.db2.gz DBDIGYRVCZAIDB-UHFFFAOYSA-N 0 0 443.485 -0.290 20 30 IBEDRN CCS(=O)(=O)N1CCN(C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)[C@H](C)C1 ZINC000509807489 1071572253 /nfs/dbraw/zinc/57/22/53/1071572253.db2.gz IYQRNVLTMLABHW-CYBMUJFWSA-N 0 0 431.478 -0.040 20 30 IBEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CNC(=O)c3ncccc3O)CC2)cc1 ZINC000509920054 1071617769 /nfs/dbraw/zinc/61/77/69/1071617769.db2.gz PLPXAQUTLRWFPU-UHFFFAOYSA-N 0 0 429.458 -0.078 20 30 IBEDRN CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)C1 ZINC000509944403 1071655480 /nfs/dbraw/zinc/65/54/80/1071655480.db2.gz QGCGEJSEEGAFJX-CYBMUJFWSA-N 0 0 425.515 -0.165 20 30 IBEDRN C=CCNC(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1 ZINC000509955213 1071698802 /nfs/dbraw/zinc/69/88/02/1071698802.db2.gz FMNVRBYPZQDAET-MRXNPFEDSA-N 0 0 437.522 -0.072 20 30 IBEDRN C[C@@H](CC#N)N(C)S(=O)(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000509963073 1071719100 /nfs/dbraw/zinc/71/91/00/1071719100.db2.gz GWOYYOLEJGXXDP-HNNXBMFYSA-N 0 0 430.556 -0.398 20 30 IBEDRN C[C@H](CC#N)N(C)S(=O)(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000509963080 1071719040 /nfs/dbraw/zinc/71/90/40/1071719040.db2.gz GWOYYOLEJGXXDP-OAHLLOKOSA-N 0 0 430.556 -0.398 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)C1=O ZINC000510221353 1070856837 /nfs/dbraw/zinc/85/68/37/1070856837.db2.gz GQIHLMZNZPQWHR-INIZCTEOSA-N 0 0 442.428 -0.526 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)C1=O ZINC000510221354 1070856939 /nfs/dbraw/zinc/85/69/39/1070856939.db2.gz GQIHLMZNZPQWHR-MRXNPFEDSA-N 0 0 442.428 -0.526 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)C1=O ZINC000510224396 1070857067 /nfs/dbraw/zinc/85/70/67/1070857067.db2.gz SPVGDIOYNAIPOA-UHFFFAOYSA-N 0 0 434.474 -0.195 20 30 IBEDRN COCCN(CC(=O)OC)CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000510248155 1070862402 /nfs/dbraw/zinc/86/24/02/1070862402.db2.gz BKIHDOLTMOHLJI-UHFFFAOYSA-N 0 0 438.506 -0.487 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1=O ZINC000510253542 1070863090 /nfs/dbraw/zinc/86/30/90/1070863090.db2.gz KAQHJBPDENYOIE-UHFFFAOYSA-N 0 0 436.446 -0.377 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)C1=O ZINC000510258065 1070863996 /nfs/dbraw/zinc/86/39/96/1070863996.db2.gz UMTDWBYBWJKCGT-UHFFFAOYSA-N 0 0 436.446 -0.377 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)CC1 ZINC000510357698 1070951087 /nfs/dbraw/zinc/95/10/87/1070951087.db2.gz YVMLRMYAGGLDFE-HNNXBMFYSA-N 0 0 449.533 -0.867 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)CC1 ZINC000510357699 1070951041 /nfs/dbraw/zinc/95/10/41/1070951041.db2.gz YVMLRMYAGGLDFE-OAHLLOKOSA-N 0 0 449.533 -0.867 20 30 IBEDRN N#CCCN(CCN1CCOCC1)C(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 ZINC000510393091 1070971945 /nfs/dbraw/zinc/97/19/45/1070971945.db2.gz CXGJIINJMYLKHI-INIZCTEOSA-N 0 0 449.533 -0.239 20 30 IBEDRN N#CCCN(CCN1CCOCC1)C(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 ZINC000510393092 1070972120 /nfs/dbraw/zinc/97/21/20/1070972120.db2.gz CXGJIINJMYLKHI-MRXNPFEDSA-N 0 0 449.533 -0.239 20 30 IBEDRN C=CCN(C(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000510426829 1070977906 /nfs/dbraw/zinc/97/79/06/1070977906.db2.gz QMTGOODZMLOYPZ-DZGCQCFKSA-N 0 0 441.531 -0.111 20 30 IBEDRN C=CCN(C(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1)[C@H]1CCS(=O)(=O)C1 ZINC000510426830 1070977610 /nfs/dbraw/zinc/97/76/10/1070977610.db2.gz QMTGOODZMLOYPZ-HIFRSBDPSA-N 0 0 441.531 -0.111 20 30 IBEDRN C=CCN(C(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000510426831 1070977683 /nfs/dbraw/zinc/97/76/83/1070977683.db2.gz QMTGOODZMLOYPZ-UKRRQHHQSA-N 0 0 441.531 -0.111 20 30 IBEDRN C=CCN(C(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1)[C@H]1CCS(=O)(=O)C1 ZINC000510426832 1070977889 /nfs/dbraw/zinc/97/78/89/1070977889.db2.gz QMTGOODZMLOYPZ-ZFWWWQNUSA-N 0 0 441.531 -0.111 20 30 IBEDRN N#Cc1ncn(CCNC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CC(=O)N4)CC2)n1 ZINC000510605584 1071014161 /nfs/dbraw/zinc/01/41/61/1071014161.db2.gz DWXZBTWXUGCLOU-UHFFFAOYSA-N 0 0 444.477 -0.640 20 30 IBEDRN N#Cc1ncn(CCNC(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)n1 ZINC000510611497 1073148034 /nfs/dbraw/zinc/14/80/34/1073148034.db2.gz BSJVVEUUSCOOHD-UHFFFAOYSA-N 0 0 434.438 -0.226 20 30 IBEDRN N#Cc1ncn(CCNC(=O)NC2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)n1 ZINC000510618025 1071014250 /nfs/dbraw/zinc/01/42/50/1071014250.db2.gz SPEUAACJMSYAIY-UHFFFAOYSA-N 0 0 433.450 -0.707 20 30 IBEDRN Cc1cc(N2CCC[C@H](N3CCN(C(=O)NCCn4cnc(C#N)n4)CC3)C2=O)n(C)n1 ZINC000510624329 1071014979 /nfs/dbraw/zinc/01/49/79/1071014979.db2.gz YXSCEKLVDRBDSO-INIZCTEOSA-N 0 0 440.512 -0.286 20 30 IBEDRN Cc1cc(N2CCC[C@@H](N3CCN(C(=O)NCCn4cnc(C#N)n4)CC3)C2=O)n(C)n1 ZINC000510624330 1071014543 /nfs/dbraw/zinc/01/45/43/1071014543.db2.gz YXSCEKLVDRBDSO-MRXNPFEDSA-N 0 0 440.512 -0.286 20 30 IBEDRN CN(CC(=O)N1CCOCC1)CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000510685664 1071017545 /nfs/dbraw/zinc/01/75/45/1071017545.db2.gz WISCYTUFCVPGCT-UHFFFAOYSA-N 0 0 449.533 -0.818 20 30 IBEDRN Cn1c(=O)c(=Cc2ccc3c(c2)CCO3)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000511064852 1071066766 /nfs/dbraw/zinc/06/67/66/1071066766.db2.gz RGCGOEOQAXHREU-UHFFFAOYSA-N 0 0 440.525 -0.667 20 30 IBEDRN CN(C)S(=O)(=O)[C@@H]1CCCN(CC#CCN2CCC[C@H](S(=O)(=O)N(C)C)C2)C1 ZINC000511139212 1071094166 /nfs/dbraw/zinc/09/41/66/1071094166.db2.gz PUXIYYJMBACBAF-HDICACEKSA-N 0 0 434.628 -0.299 20 30 IBEDRN CN(C)S(=O)(=O)[C@@H]1CCCN(CC#CCN2CCC[C@@H](S(=O)(=O)N(C)C)C2)C1 ZINC000511139221 1071094438 /nfs/dbraw/zinc/09/44/38/1071094438.db2.gz PUXIYYJMBACBAF-QZTJIDSGSA-N 0 0 434.628 -0.299 20 30 IBEDRN CN(C)S(=O)(=O)[C@H]1CCCN(CC#CCN2CCC[C@H](S(=O)(=O)N(C)C)C2)C1 ZINC000511139223 1071094072 /nfs/dbraw/zinc/09/40/72/1071094072.db2.gz PUXIYYJMBACBAF-ROUUACIJSA-N 0 0 434.628 -0.299 20 30 IBEDRN N#C[C@@H]1CN(S(=O)(=O)NCCNS(=O)(=O)c2ccc(F)cc2Cl)CCO1 ZINC000511166506 1071098714 /nfs/dbraw/zinc/09/87/14/1071098714.db2.gz GIUXBJCMTRWUNC-LLVKDONJSA-N 0 0 426.879 -0.184 20 30 IBEDRN N#C[C@H]1CN(S(=O)(=O)NCCNS(=O)(=O)c2ccc(F)cc2Cl)CCO1 ZINC000511166510 1071098544 /nfs/dbraw/zinc/09/85/44/1071098544.db2.gz GIUXBJCMTRWUNC-NSHDSACASA-N 0 0 426.879 -0.184 20 30 IBEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(CCOC)C(=O)C2)cc1 ZINC000511262144 1071228340 /nfs/dbraw/zinc/22/83/40/1071228340.db2.gz RMARODJIQNONJT-UHFFFAOYSA-N 0 0 438.506 -0.251 20 30 IBEDRN N#Cc1ncn(CCNS(=O)(=O)c2ccc(S(=O)(=O)NCC(F)(F)F)cc2)n1 ZINC000511381290 1071291548 /nfs/dbraw/zinc/29/15/48/1071291548.db2.gz IZXKIJBJNUCOQO-UHFFFAOYSA-N 0 0 438.413 -0.031 20 30 IBEDRN N#Cc1ncn(CCNS(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)n1 ZINC000511395087 1071293076 /nfs/dbraw/zinc/29/30/76/1071293076.db2.gz GOOLAPVWMOYTAJ-UHFFFAOYSA-N 0 0 426.480 -0.851 20 30 IBEDRN Cc1ccc(S(=O)(=O)NCCn2cnc(C#N)n2)cc1S(=O)(=O)N1CCOCC1 ZINC000511430866 1071300247 /nfs/dbraw/zinc/30/02/47/1071300247.db2.gz PUPCKLSPBDGACH-UHFFFAOYSA-N 0 0 440.507 -0.542 20 30 IBEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)N2CCN(Cc3ccccc3)CC2)c1=O ZINC000511459406 1071303145 /nfs/dbraw/zinc/30/31/45/1071303145.db2.gz FVOACIULURFQKG-UHFFFAOYSA-N 0 0 425.489 -0.112 20 30 IBEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)N(CCCC)[C@H]2CCS(=O)(=O)C2)c1=O ZINC000511459408 1071303443 /nfs/dbraw/zinc/30/34/43/1071303443.db2.gz FVUIARTZABAEBT-HNNXBMFYSA-N 0 0 440.522 -0.641 20 30 IBEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)N(CCCC)[C@@H]2CCS(=O)(=O)C2)c1=O ZINC000511459412 1071304032 /nfs/dbraw/zinc/30/40/32/1071304032.db2.gz FVUIARTZABAEBT-OAHLLOKOSA-N 0 0 440.522 -0.641 20 30 IBEDRN C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3cccc(C#N)c3)CC2)C[C@H](C)O1 ZINC000511538117 1071347227 /nfs/dbraw/zinc/34/72/27/1071347227.db2.gz YONLGERNCUFKRZ-GASCZTMLSA-N 0 0 435.506 -0.005 20 30 IBEDRN C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3cccc(C#N)c3)CC2)C[C@H](C)O1 ZINC000511538118 1071347039 /nfs/dbraw/zinc/34/70/39/1071347039.db2.gz YONLGERNCUFKRZ-GJZGRUSLSA-N 0 0 435.506 -0.005 20 30 IBEDRN C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3cccc(C#N)c3)CC2)C[C@@H](C)O1 ZINC000511538119 1071347020 /nfs/dbraw/zinc/34/70/20/1071347020.db2.gz YONLGERNCUFKRZ-HUUCEWRRSA-N 0 0 435.506 -0.005 20 30 IBEDRN CS(=O)(=O)N1CCC[C@@H]1CNC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 ZINC000511672496 1073350885 /nfs/dbraw/zinc/35/08/85/1073350885.db2.gz KZSBRMRSTAABKL-OAHLLOKOSA-N 0 0 431.478 -0.323 20 30 IBEDRN CC(C)Cn1c(=O)c(=Cc2cscn2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000511676741 1071398360 /nfs/dbraw/zinc/39/83/60/1071398360.db2.gz ZNLUGYMYVXOATK-UHFFFAOYSA-N 0 0 447.586 -0.026 20 30 IBEDRN N#CC(C(=O)NC1CC1)=c1sc(=Cc2cscn2)c(=O)n1CCN1CCOCC1 ZINC000511706924 1071400419 /nfs/dbraw/zinc/40/04/19/1071400419.db2.gz KRRLUFOEWTXPNA-UHFFFAOYSA-N 0 0 431.543 -0.520 20 30 IBEDRN C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)c1 ZINC000511834919 1071411300 /nfs/dbraw/zinc/41/13/00/1071411300.db2.gz NRVNABJXASRPLR-UHFFFAOYSA-N 0 0 448.501 -0.416 20 30 IBEDRN C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)cc1 ZINC000511835444 1071411145 /nfs/dbraw/zinc/41/11/45/1071411145.db2.gz QYKZPMDSGSKSQC-UHFFFAOYSA-N 0 0 448.501 -0.416 20 30 IBEDRN COC(=O)c1csc(S(=O)(=O)N2CCN(C(=O)NCC(=O)NCC#N)CC2)c1 ZINC000511894677 1071426212 /nfs/dbraw/zinc/42/62/12/1071426212.db2.gz CYLACHMYIFHBLF-UHFFFAOYSA-N 0 0 429.480 -0.810 20 30 IBEDRN COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)NCC(=O)NCC#N)CC2)c1 ZINC000511906952 1071431736 /nfs/dbraw/zinc/43/17/36/1071431736.db2.gz ACUIJNQLDZEJOJ-UHFFFAOYSA-N 0 0 425.467 -0.641 20 30 IBEDRN CC(=O)N1CCN(CCOc2ccc(CCNC(=O)NCC(=O)NCC#N)cc2)CC1 ZINC000511908137 1071432541 /nfs/dbraw/zinc/43/25/41/1071432541.db2.gz VGYQHJPDNYMYMG-UHFFFAOYSA-N 0 0 430.509 -0.289 20 30 IBEDRN N#CCNC(=O)CNC(=O)NC[C@@H](O)COc1ccc(I)cc1 ZINC000511912061 1071432533 /nfs/dbraw/zinc/43/25/33/1071432533.db2.gz XRWBIUHUIOCKDA-LLVKDONJSA-N 0 0 432.218 -0.030 20 30 IBEDRN N#CCNC(=O)CNC(=O)NC[C@H](O)COc1ccc(I)cc1 ZINC000511912062 1071432569 /nfs/dbraw/zinc/43/25/69/1071432569.db2.gz XRWBIUHUIOCKDA-NSHDSACASA-N 0 0 432.218 -0.030 20 30 IBEDRN COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCN(C(=O)NCC(=O)NCC#N)CC1 ZINC000511919011 1071433751 /nfs/dbraw/zinc/43/37/51/1071433751.db2.gz JNUJXZMSAPZLRN-UHFFFAOYSA-N 0 0 441.466 -0.661 20 30 IBEDRN N#CCNC(=O)CNC(=O)N1CCCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000511921213 1071433665 /nfs/dbraw/zinc/43/36/65/1071433665.db2.gz UILJLWNITBMODS-UHFFFAOYSA-N 0 0 437.478 -0.496 20 30 IBEDRN Cc1ccc(Br)c(S(=O)(=O)NCCNC(=O)NCC(=O)NCC#N)c1 ZINC000511923749 1071433722 /nfs/dbraw/zinc/43/37/22/1071433722.db2.gz QZUPDUMCHGCNCG-UHFFFAOYSA-N 0 0 432.300 -0.025 20 30 IBEDRN CN1CCN(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3sccc3C#N)CC2)CC1 ZINC000511932656 1071434717 /nfs/dbraw/zinc/43/47/17/1071434717.db2.gz AMQXGOZMWCWWLO-UHFFFAOYSA-N 0 0 426.524 -0.805 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)NCCNS(=O)(=O)c2ccc(F)cc2Cl)C1=O ZINC000511945371 1071436279 /nfs/dbraw/zinc/43/62/79/1071436279.db2.gz CMUSKCKBBZIUEH-UHFFFAOYSA-N 0 0 446.844 -0.150 20 30 IBEDRN N#Cc1ccsc1NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 ZINC000511951424 1071437043 /nfs/dbraw/zinc/43/70/43/1071437043.db2.gz FJBBHMWDSBHMQH-UHFFFAOYSA-N 0 0 437.459 -0.217 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)C1=O ZINC000512458582 1071510235 /nfs/dbraw/zinc/51/02/35/1071510235.db2.gz WUVAEGPQDPFNJF-UHFFFAOYSA-N 0 0 438.437 -0.365 20 30 IBEDRN CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCN(S(=O)(=O)Cc3ccon3)CC2)CC1 ZINC000512463350 1071510831 /nfs/dbraw/zinc/51/08/31/1071510831.db2.gz PWZYXOFBDZGDKG-GOSISDBHSA-N 0 0 438.554 -0.186 20 30 IBEDRN CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCN(S(=O)(=O)Cc3ccon3)CC2)CC1 ZINC000512463351 1071510760 /nfs/dbraw/zinc/51/07/60/1071510760.db2.gz PWZYXOFBDZGDKG-SFHVURJKSA-N 0 0 438.554 -0.186 20 30 IBEDRN C=CCn1c2nnc(SCC(=O)NCCN3CCNC(=O)C3)n2c2ccccc2c1=O ZINC000512472512 1071513741 /nfs/dbraw/zinc/51/37/41/1071513741.db2.gz WHMCNUCFIQRFKG-UHFFFAOYSA-N 0 0 441.517 -0.130 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)N(CC(F)F)C2CCN(S(C)(=O)=O)CC2)C1=O ZINC000512518487 1071526142 /nfs/dbraw/zinc/52/61/42/1071526142.db2.gz ABDJSVXOXARZLB-UHFFFAOYSA-N 0 0 436.437 -0.519 20 30 IBEDRN N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)cc1 ZINC000512550330 1071548138 /nfs/dbraw/zinc/54/81/38/1071548138.db2.gz FWFADOODCKRMHS-UHFFFAOYSA-N 0 0 449.533 -0.505 20 30 IBEDRN CN(CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000512550735 1071548177 /nfs/dbraw/zinc/54/81/77/1071548177.db2.gz LQJSGSUVUPAYBF-UHFFFAOYSA-N 0 0 449.533 -0.818 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)CC1 ZINC000512597226 1071551805 /nfs/dbraw/zinc/55/18/05/1071551805.db2.gz KLPJBHYQDHDKEQ-UHFFFAOYSA-N 0 0 435.550 -0.071 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)Cc2cc(F)c(OC)c(S(N)(=O)=O)c2)CC1 ZINC000512718703 1071560794 /nfs/dbraw/zinc/56/07/94/1071560794.db2.gz RPXVRHWFPPSWJI-UHFFFAOYSA-N 0 0 428.486 -0.529 20 30 IBEDRN CCn1nccc1C=c1sc(=C(C#N)C(=O)NCCOC)n(Cc2ccon2)c1=O ZINC000512719371 1071561438 /nfs/dbraw/zinc/56/14/38/1071561438.db2.gz AROFFUKXLNGVAD-UHFFFAOYSA-N 0 0 428.474 -0.572 20 30 IBEDRN CCn1nccc1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(C[C@@H]2CCCO2)c1=O ZINC000512719604 1071560699 /nfs/dbraw/zinc/56/06/99/1071560699.db2.gz DIHIHZSLBKTNNP-INIZCTEOSA-N 0 0 443.529 -0.333 20 30 IBEDRN CCn1nccc1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(C[C@H]2CCCO2)c1=O ZINC000512719605 1071560717 /nfs/dbraw/zinc/56/07/17/1071560717.db2.gz DIHIHZSLBKTNNP-MRXNPFEDSA-N 0 0 443.529 -0.333 20 30 IBEDRN CCn1nccc1C=c1sc(=C(C#N)C(=O)NCCCOC)n(Cc2ccon2)c1=O ZINC000512720011 1071561375 /nfs/dbraw/zinc/56/13/75/1071561375.db2.gz HTALTXIGDVDAQT-UHFFFAOYSA-N 0 0 442.501 -0.182 20 30 IBEDRN CCn1nccc1C=c1sc(=C(C#N)C(=O)NCCOC)n(C[C@@H]2CCCO2)c1=O ZINC000512720726 1071561278 /nfs/dbraw/zinc/56/12/78/1071561278.db2.gz OPQQLASSUMVFLJ-HNNXBMFYSA-N 0 0 431.518 -0.429 20 30 IBEDRN CCn1nccc1C=c1sc(=C(C#N)C(=O)NCCOC)n(C[C@H]2CCCO2)c1=O ZINC000512720729 1071561212 /nfs/dbraw/zinc/56/12/12/1071561212.db2.gz OPQQLASSUMVFLJ-OAHLLOKOSA-N 0 0 431.518 -0.429 20 30 IBEDRN CCn1nccc1C=c1sc(=C(C#N)C(=O)NCCCOC)n(C[C@@H]2CCCO2)c1=O ZINC000512720960 1071561355 /nfs/dbraw/zinc/56/13/55/1071561355.db2.gz QJUJPWNFBPNXGS-INIZCTEOSA-N 0 0 445.545 -0.039 20 30 IBEDRN CCn1nccc1C=c1sc(=C(C#N)C(=O)NCCCOC)n(C[C@H]2CCCO2)c1=O ZINC000512720963 1071561309 /nfs/dbraw/zinc/56/13/09/1071561309.db2.gz QJUJPWNFBPNXGS-MRXNPFEDSA-N 0 0 445.545 -0.039 20 30 IBEDRN CCn1nccc1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(CCSC)c1=O ZINC000512721396 1071561200 /nfs/dbraw/zinc/56/12/00/1071561200.db2.gz UYKXKLDINMPNKF-UHFFFAOYSA-N 0 0 433.559 -0.149 20 30 IBEDRN CCn1nccc1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(Cc2ccon2)c1=O ZINC000512721581 1071561285 /nfs/dbraw/zinc/56/12/85/1071561285.db2.gz WSYKKFIPBMLYHU-UHFFFAOYSA-N 0 0 440.485 -0.476 20 30 IBEDRN CCn1nccc1C=c1sc(=C(C#N)C(=O)N[C@H](C)COC)n(Cc2ccon2)c1=O ZINC000512721767 1071561298 /nfs/dbraw/zinc/56/12/98/1071561298.db2.gz YVIJXKWCRCMZDR-CYBMUJFWSA-N 0 0 442.501 -0.183 20 30 IBEDRN CCn1nccc1C=c1sc(=C(C#N)C(=O)N[C@@H](C)COC)n(Cc2ccon2)c1=O ZINC000512721768 1071561363 /nfs/dbraw/zinc/56/13/63/1071561363.db2.gz YVIJXKWCRCMZDR-ZDUSSCGKSA-N 0 0 442.501 -0.183 20 30 IBEDRN CCn1nccc1C=c1sc(=C(C#N)C(=O)NCCCOC)n(C[C@@H]2CCOC2)c1=O ZINC000512724743 1071562047 /nfs/dbraw/zinc/56/20/47/1071562047.db2.gz GLHVAMZUHQLENG-HNNXBMFYSA-N 0 0 445.545 -0.182 20 30 IBEDRN CCn1nccc1C=c1sc(=C(C#N)C(=O)NCCCOC)n(C[C@H]2CCOC2)c1=O ZINC000512724745 1071562014 /nfs/dbraw/zinc/56/20/14/1071562014.db2.gz GLHVAMZUHQLENG-OAHLLOKOSA-N 0 0 445.545 -0.182 20 30 IBEDRN CCn1nccc1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(C[C@@H]2CCOC2)c1=O ZINC000512725347 1071561886 /nfs/dbraw/zinc/56/18/86/1071561886.db2.gz MKPHKIGKLBBGPZ-HNNXBMFYSA-N 0 0 443.529 -0.475 20 30 IBEDRN CCn1nccc1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(C[C@H]2CCOC2)c1=O ZINC000512725348 1071561912 /nfs/dbraw/zinc/56/19/12/1071561912.db2.gz MKPHKIGKLBBGPZ-OAHLLOKOSA-N 0 0 443.529 -0.475 20 30 IBEDRN CCn1nccc1C=c1sc(=C(C#N)C(=O)NCCOC)n(C[C@@H]2CCOC2)c1=O ZINC000512725808 1071562547 /nfs/dbraw/zinc/56/25/47/1071562547.db2.gz PYCVKVAOUJFZFR-AWEZNQCLSA-N 0 0 431.518 -0.572 20 30 IBEDRN CCn1nccc1C=c1sc(=C(C#N)C(=O)NCCOC)n(C[C@H]2CCOC2)c1=O ZINC000512725810 1071562438 /nfs/dbraw/zinc/56/24/38/1071562438.db2.gz PYCVKVAOUJFZFR-CQSZACIVSA-N 0 0 431.518 -0.572 20 30 IBEDRN CCn1nccc1C=c1sc(=C(C#N)C(=O)N[C@H](C)COC)n(C[C@H]2CCCO2)c1=O ZINC000512726626 1071561971 /nfs/dbraw/zinc/56/19/71/1071561971.db2.gz ZIXVPFBASLVSAE-GDBMZVCRSA-N 0 0 445.545 -0.041 20 30 IBEDRN CCn1nccc1C=c1sc(=C(C#N)C(=O)N[C@@H](C)COC)n(C[C@H]2CCCO2)c1=O ZINC000512726627 1071561854 /nfs/dbraw/zinc/56/18/54/1071561854.db2.gz ZIXVPFBASLVSAE-GOEBONIOSA-N 0 0 445.545 -0.041 20 30 IBEDRN CCn1nccc1C=c1sc(=C(C#N)C(=O)N[C@@H](C)COC)n(C[C@@H]2CCCO2)c1=O ZINC000512726628 1071561901 /nfs/dbraw/zinc/56/19/01/1071561901.db2.gz ZIXVPFBASLVSAE-HOCLYGCPSA-N 0 0 445.545 -0.041 20 30 IBEDRN CCn1nccc1C=c1sc(=C(C#N)C(=O)N[C@H](C)COC)n(C[C@@H]2CCCO2)c1=O ZINC000512726629 1071562473 /nfs/dbraw/zinc/56/24/73/1071562473.db2.gz ZIXVPFBASLVSAE-ZBFHGGJFSA-N 0 0 445.545 -0.041 20 30 IBEDRN CCn1nccc1C=c1sc(=C(C#N)C(=O)NC(C)C)n(CCN2CCOCC2)c1=O ZINC000512738458 1071563025 /nfs/dbraw/zinc/56/30/25/1071563025.db2.gz MNYCUABBDQENQQ-UHFFFAOYSA-N 0 0 444.561 -0.514 20 30 IBEDRN CCn1nccc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(CCN2CCOCC2)c1=O ZINC000512738492 1071563058 /nfs/dbraw/zinc/56/30/58/1071563058.db2.gz NHNOWXNQRJELPF-UHFFFAOYSA-N 0 0 442.545 -0.760 20 30 IBEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2CC)c(=O)n1CCN1CCOCC1 ZINC000512739693 1071563167 /nfs/dbraw/zinc/56/31/67/1071563167.db2.gz VLXTYHBNEHJOLX-UHFFFAOYSA-N 0 0 444.561 -0.512 20 30 IBEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccnn2CC)c(=O)n1CCN1CCOCC1 ZINC000512740255 1071563031 /nfs/dbraw/zinc/56/30/31/1071563031.db2.gz ZMCREKBRJOCVSV-UHFFFAOYSA-N 0 0 442.545 -0.736 20 30 IBEDRN CCn1cc(-n2c(=O)c(=Cc3ccnn3CC)sc2=C(C#N)C(=O)NCCOC)cn1 ZINC000512741819 1071563008 /nfs/dbraw/zinc/56/30/08/1071563008.db2.gz ABDMGQZAVOKXBG-UHFFFAOYSA-N 0 0 441.517 -0.403 20 30 IBEDRN CCn1nccc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(-c2ccc(C(N)=O)cc2)c1=O ZINC000512746313 1071563533 /nfs/dbraw/zinc/56/35/33/1071563533.db2.gz FYJQKECXTPYBCL-UHFFFAOYSA-N 0 0 448.508 -0.004 20 30 IBEDRN CCn1nccc1C=c1sc(=C(C#N)C(=O)NCCN2CCOCC2)n(CC)c1=O ZINC000512748510 1071562956 /nfs/dbraw/zinc/56/29/56/1071562956.db2.gz ZJGUNFQFTGEMKS-UHFFFAOYSA-N 0 0 430.534 -0.902 20 30 IBEDRN C=CCn1c(=O)c(=Cc2ccnn2CC)sc1=C(C#N)C(=O)N1CCN(CC)CC1 ZINC000512757078 1071564200 /nfs/dbraw/zinc/56/42/00/1071564200.db2.gz DIUBKOCJZWTBGR-UHFFFAOYSA-N 0 0 426.546 -0.021 20 30 IBEDRN C=CCn1c(=O)c(=Cc2ccnn2CC)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000512757421 1071564219 /nfs/dbraw/zinc/56/42/19/1071564219.db2.gz KCUFFCGIMGXBKI-UHFFFAOYSA-N 0 0 442.545 -0.736 20 30 IBEDRN C=CCn1c(=O)c(=Cc2ccnn2CC)sc1=C(C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000512757898 1071563713 /nfs/dbraw/zinc/56/37/13/1071563713.db2.gz SZEKDPVEDHCPAM-UHFFFAOYSA-N 0 0 447.542 -0.928 20 30 IBEDRN CCn1nccc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(CCCC(=O)OC)c1=O ZINC000512762952 1071565480 /nfs/dbraw/zinc/56/54/80/1071565480.db2.gz XTOYLAKHTNLNFO-UHFFFAOYSA-N 0 0 429.502 -0.139 20 30 IBEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccnn2CC)c(=O)n1CCCC(=O)OC ZINC000512765737 1071566141 /nfs/dbraw/zinc/56/61/41/1071566141.db2.gz ANNZIDGIAUUOKO-UHFFFAOYSA-N 0 0 429.502 -0.115 20 30 IBEDRN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000512767323 1071565462 /nfs/dbraw/zinc/56/54/62/1071565462.db2.gz QBIZUVCKDBRGDB-UHFFFAOYSA-N 0 0 437.522 -0.070 20 30 IBEDRN CCn1nccc1C=c1sc(=C(C#N)C(=O)C(C)C)n(CCNS(C)(=O)=O)c1=O ZINC000512770904 1071566723 /nfs/dbraw/zinc/56/67/23/1071566723.db2.gz HREHZWLJWBRSAR-UHFFFAOYSA-N 0 0 437.547 -0.596 20 30 IBEDRN CCOCCCn1c(=O)c(=Cc2ccnn2CC)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000512771972 1071566664 /nfs/dbraw/zinc/56/66/64/1071566664.db2.gz SESDMKBVKMSOLC-UHFFFAOYSA-N 0 0 445.545 -0.085 20 30 IBEDRN CCCn1c(=O)c(=Cc2ccnn2CC)sc1=C(C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000512776751 1071566714 /nfs/dbraw/zinc/56/67/14/1071566714.db2.gz SRCDDVWGOOMTCZ-UHFFFAOYSA-N 0 0 449.558 -0.704 20 30 IBEDRN CCCn1c(=O)c(=Cc2ccnn2CC)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000512781204 1071567160 /nfs/dbraw/zinc/56/71/60/1071567160.db2.gz NOPPYEVYPIKYLY-UHFFFAOYSA-N 0 0 444.561 -0.512 20 30 IBEDRN CCn1nccc1C=c1sc(=C(C#N)C(=O)NCCN2CCOCC2)n(C2CC2)c1=O ZINC000512790477 1071567883 /nfs/dbraw/zinc/56/78/83/1071567883.db2.gz NGQRVVSXZHQHSM-UHFFFAOYSA-N 0 0 442.545 -0.587 20 30 IBEDRN CCn1nccc1C=c1sc(=C(C#N)C(=O)N2CCS(=O)(=O)CC2)n(C2CC2)c1=O ZINC000512791080 1071568319 /nfs/dbraw/zinc/56/83/19/1071568319.db2.gz YFCZCMLAPZFYDE-UHFFFAOYSA-N 0 0 447.542 -0.779 20 30 IBEDRN CC(C)(C#N)CNC(=O)N1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000512792143 1071568408 /nfs/dbraw/zinc/56/84/08/1071568408.db2.gz IDEATRBWZLBXSJ-UHFFFAOYSA-N 0 0 429.524 -0.100 20 30 IBEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCS(=O)(=O)CC2)CC1 ZINC000512794895 1071567827 /nfs/dbraw/zinc/56/78/27/1071567827.db2.gz KIVNQOTYRDDGMN-UHFFFAOYSA-N 0 0 426.520 -0.878 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccccc2N2CCN(C(C)=O)CC2)C1=O ZINC000512813845 1071570412 /nfs/dbraw/zinc/57/04/12/1071570412.db2.gz AVLUVDCSZGVAPR-UHFFFAOYSA-N 0 0 427.461 -0.052 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)NCCc2cccc(C(=O)N(C)C)c2)CC1 ZINC000512974777 1071582182 /nfs/dbraw/zinc/58/21/82/1071582182.db2.gz HGXDIIYBMZHWSV-UHFFFAOYSA-N 0 0 429.521 -0.507 20 30 IBEDRN COCCNC(=O)CN1CCN(C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)CC1 ZINC000513103555 1071595931 /nfs/dbraw/zinc/59/59/31/1071595931.db2.gz WMBDLJYJPMUSJR-UHFFFAOYSA-N 0 0 437.522 -0.683 20 30 IBEDRN CN(C)S(=O)(=O)NCCNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000513139605 1071599098 /nfs/dbraw/zinc/59/90/98/1071599098.db2.gz UMFWCXDGLAUWDC-UHFFFAOYSA-N 0 0 443.551 -0.529 20 30 IBEDRN CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 ZINC000513141961 1071599063 /nfs/dbraw/zinc/59/90/63/1071599063.db2.gz WYADDXHCQVRBBR-HNNXBMFYSA-N 0 0 441.423 -0.325 20 30 IBEDRN CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 ZINC000513141962 1073151604 /nfs/dbraw/zinc/15/16/04/1073151604.db2.gz WYADDXHCQVRBBR-OAHLLOKOSA-N 0 0 441.423 -0.325 20 30 IBEDRN Cn1c(NC2CCC(Nc3c(C#N)c(=O)n(C)c(=O)n3C)CC2)c(C#N)c(=O)n(C)c1=O ZINC000513157117 1071602863 /nfs/dbraw/zinc/60/28/63/1071602863.db2.gz YNAQFAZWSKMYKN-UHFFFAOYSA-N 0 0 440.464 -0.940 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(OC)c(OC)cc2C(=O)OC)CC1 ZINC000513253563 1071619433 /nfs/dbraw/zinc/61/94/33/1071619433.db2.gz BBZOUIAUAMMAGR-UHFFFAOYSA-N 0 0 448.476 -0.125 20 30 IBEDRN CCC(CC)(NC(=O)C1CN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1)C(N)=O ZINC000513263156 1071619533 /nfs/dbraw/zinc/61/95/33/1071619533.db2.gz WWTWGRLZQAEHSU-UHFFFAOYSA-N 0 0 445.524 -0.405 20 30 IBEDRN N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N2CCN(CCS(N)(=O)=O)CC2)n1 ZINC000513298839 1074355988 /nfs/dbraw/zinc/35/59/88/1074355988.db2.gz BKKJMBNEDPJNRW-UHFFFAOYSA-N 0 0 449.468 -0.746 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)C1=O ZINC000513483583 1071630308 /nfs/dbraw/zinc/63/03/08/1071630308.db2.gz KNFJNUIGEAFVTJ-AWEZNQCLSA-N 0 0 426.495 -0.184 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)C1=O ZINC000513483584 1071630391 /nfs/dbraw/zinc/63/03/91/1071630391.db2.gz KNFJNUIGEAFVTJ-CQSZACIVSA-N 0 0 426.495 -0.184 20 30 IBEDRN C=CCSCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000513610723 1071639180 /nfs/dbraw/zinc/63/91/80/1071639180.db2.gz YUGMACKLLBULJA-UHFFFAOYSA-N 0 0 426.520 -0.219 20 30 IBEDRN COCCN(C(=O)CN1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O)[C@H]1CCS(=O)(=O)C1 ZINC000513654907 1071641400 /nfs/dbraw/zinc/64/14/00/1071641400.db2.gz ODJZAFNXCIAHBG-CKJXQJPGSA-N 0 0 446.529 -0.006 20 30 IBEDRN COCCN(C(=O)CN1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O)[C@@H]1CCS(=O)(=O)C1 ZINC000513654908 1071641353 /nfs/dbraw/zinc/64/13/53/1071641353.db2.gz ODJZAFNXCIAHBG-GCKMJXCFSA-N 0 0 446.529 -0.006 20 30 IBEDRN COCCN(C(=O)CN1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O)[C@@H]1CCS(=O)(=O)C1 ZINC000513654909 1071641499 /nfs/dbraw/zinc/64/14/99/1071641499.db2.gz ODJZAFNXCIAHBG-MRUHUIDDSA-N 0 0 446.529 -0.006 20 30 IBEDRN COCCN(C(=O)CN1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O)[C@H]1CCS(=O)(=O)C1 ZINC000513654910 1071641348 /nfs/dbraw/zinc/64/13/48/1071641348.db2.gz ODJZAFNXCIAHBG-QYWGDWMGSA-N 0 0 446.529 -0.006 20 30 IBEDRN COCCn1c(N)c(C(=O)CN2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)c(=O)[nH]c1=O ZINC000513676147 1071642505 /nfs/dbraw/zinc/64/25/05/1071642505.db2.gz AAWZGCQINORVGY-GTJPDFRWSA-N 0 0 438.444 -0.294 20 30 IBEDRN COCCn1c(N)c(C(=O)CN2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)c(=O)[nH]c1=O ZINC000513676148 1071642544 /nfs/dbraw/zinc/64/25/44/1071642544.db2.gz AAWZGCQINORVGY-LAJNKCICSA-N 0 0 438.444 -0.294 20 30 IBEDRN COCCn1c(N)c(C(=O)CN2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)c(=O)[nH]c1=O ZINC000513676149 1071642584 /nfs/dbraw/zinc/64/25/84/1071642584.db2.gz AAWZGCQINORVGY-QKVFXAPYSA-N 0 0 438.444 -0.294 20 30 IBEDRN COCCn1c(N)c(C(=O)CN2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)c(=O)[nH]c1=O ZINC000513676150 1071642629 /nfs/dbraw/zinc/64/26/29/1071642629.db2.gz AAWZGCQINORVGY-XUSGNXJCSA-N 0 0 438.444 -0.294 20 30 IBEDRN N#Cc1cccc(S(=O)(=O)CCN2CCN(S(=O)(=O)N3CCOCC3)CC2)c1 ZINC000513785501 1071719911 /nfs/dbraw/zinc/71/99/11/1071719911.db2.gz NRTHOFNGACIOEP-UHFFFAOYSA-N 0 0 428.536 -0.473 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)c2cnc3c(c2CC)c(=O)n(C)c(=O)n3C)CC1 ZINC000513811280 1071740040 /nfs/dbraw/zinc/74/00/40/1071740040.db2.gz PFWAHLSEJVLFRI-UHFFFAOYSA-N 0 0 428.493 -0.745 20 30 IBEDRN N#Cc1ccccc1N1CCN(CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CC1 ZINC000513818046 1071773570 /nfs/dbraw/zinc/77/35/70/1071773570.db2.gz UWXCZQFPEKNVME-UHFFFAOYSA-N 0 0 440.548 -0.317 20 30 IBEDRN CCc1c(C(=O)N(CCC#N)CCN2CCOCC2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000513827816 1071774174 /nfs/dbraw/zinc/77/41/74/1071774174.db2.gz XDOFWLXXEZMSKU-UHFFFAOYSA-N 0 0 428.493 -0.117 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@@H](N(Cc3noc(CC)n3)C(C)=O)C2)C1=O ZINC000513881194 1073370549 /nfs/dbraw/zinc/37/05/49/1073370549.db2.gz LCMGCYQHVBCQKO-CYBMUJFWSA-N 0 0 432.437 -0.442 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@H](N(Cc3noc(CC)n3)C(C)=O)C2)C1=O ZINC000513881195 1073370539 /nfs/dbraw/zinc/37/05/39/1073370539.db2.gz LCMGCYQHVBCQKO-ZDUSSCGKSA-N 0 0 432.437 -0.442 20 30 IBEDRN Cn1c(N[C@H]2CC[C@H](Nc3c(C#N)c(=O)n(C)c(=O)n3C)CC2)c(C#N)c(=O)n(C)c1=O ZINC000514000520 1071780834 /nfs/dbraw/zinc/78/08/34/1071780834.db2.gz YNAQFAZWSKMYKN-HAQNSBGRSA-N 0 0 440.464 -0.940 20 30 IBEDRN C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3ccc(C#N)cn3)CC2)C[C@H](C)O1 ZINC000514304033 1071796148 /nfs/dbraw/zinc/79/61/48/1071796148.db2.gz LWTDWKSUCHPYIH-KBPBESRZSA-N 0 0 436.494 -0.610 20 30 IBEDRN C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3ccc(C#N)cn3)CC2)C[C@H](C)O1 ZINC000514304037 1071796202 /nfs/dbraw/zinc/79/62/02/1071796202.db2.gz LWTDWKSUCHPYIH-OKILXGFUSA-N 0 0 436.494 -0.610 20 30 IBEDRN C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3ccc(C#N)cn3)CC2)C[C@@H](C)O1 ZINC000514304038 1071795735 /nfs/dbraw/zinc/79/57/35/1071795735.db2.gz LWTDWKSUCHPYIH-ZIAGYGMSSA-N 0 0 436.494 -0.610 20 30 IBEDRN CC(=O)N1CCC(NC(=O)CN2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 ZINC000514306939 1071796174 /nfs/dbraw/zinc/79/61/74/1071796174.db2.gz KNZKRBXQZMAKBX-UHFFFAOYSA-N 0 0 433.534 -0.008 20 30 IBEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1CCN1CCOCC1 ZINC000514329066 1071805084 /nfs/dbraw/zinc/80/50/84/1071805084.db2.gz WJPMQZSHIYJDAF-UHFFFAOYSA-N 0 0 427.530 -0.334 20 30 IBEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C)c2=O)cc1F ZINC000514332510 1071804578 /nfs/dbraw/zinc/80/45/78/1071804578.db2.gz QZCAUPDVIBFYOX-UHFFFAOYSA-N 0 0 446.504 -0.454 20 30 IBEDRN Cn1c(=O)c(=Cc2ccc(-n3cncn3)c(F)c2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000514349507 1071806154 /nfs/dbraw/zinc/80/61/54/1071806154.db2.gz HDZKLANIVCJHBN-UHFFFAOYSA-N 0 0 440.460 -0.472 20 30 IBEDRN CCn1c(=O)c(=Cc2ccc(-n3cncn3)c(F)c2)sc1=C(C#N)C(=O)NCCOC ZINC000514349846 1071806241 /nfs/dbraw/zinc/80/62/41/1071806241.db2.gz JGTXGVPMLBCKTL-UHFFFAOYSA-N 0 0 442.476 -0.085 20 30 IBEDRN Cc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCN3CCOCC3)c2=O)o1 ZINC000514475099 1071823312 /nfs/dbraw/zinc/82/33/12/1071823312.db2.gz LQGWSYPZNRSQCA-UHFFFAOYSA-N 0 0 428.514 -0.075 20 30 IBEDRN CNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC)c(=O)n1CCN1CCOCC1 ZINC000514478687 1071824427 /nfs/dbraw/zinc/82/44/27/1071824427.db2.gz HEQNDPXXDCXHNY-UHFFFAOYSA-N 0 0 428.514 -0.500 20 30 IBEDRN N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2ccccn2)c(=O)n1C1CC1 ZINC000514521612 1071828381 /nfs/dbraw/zinc/82/83/81/1071828381.db2.gz NFDUGTSARFTFSC-UHFFFAOYSA-N 0 0 425.514 -0.409 20 30 IBEDRN CNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(F)c2)c(=O)n1CCN1CCOCC1 ZINC000514522314 1071829061 /nfs/dbraw/zinc/82/90/61/1071829061.db2.gz MYEPOOHJOAGYLG-UHFFFAOYSA-N 0 0 446.504 -0.361 20 30 IBEDRN C=CCN1C(=O)c2ccc(C(=O)N3CCN(S(=O)(=O)N4CCOCC4)CC3)cc2C1=O ZINC000514528673 1071829583 /nfs/dbraw/zinc/82/95/83/1071829583.db2.gz LULFCYLUPXVYGL-UHFFFAOYSA-N 0 0 448.501 -0.197 20 30 IBEDRN N#Cc1ccc(S(=O)(=O)NCC(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)cc1 ZINC000514638768 1071839176 /nfs/dbraw/zinc/83/91/76/1071839176.db2.gz GIDJWUZNPVUIBS-UHFFFAOYSA-N 0 0 432.462 -0.469 20 30 IBEDRN N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccncc2)c(=O)n1CCN1CCOCC1 ZINC000514648571 1071840504 /nfs/dbraw/zinc/84/05/04/1071840504.db2.gz YAGWKYQOEYIWGU-UHFFFAOYSA-N 0 0 425.514 -0.581 20 30 IBEDRN N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccco2)c(=O)n1CCN1CCOCC1 ZINC000514648636 1071840565 /nfs/dbraw/zinc/84/05/65/1071840565.db2.gz KVDYCNKREXPOHZ-UHFFFAOYSA-N 0 0 428.514 -0.040 20 30 IBEDRN C=CCNC(=O)CN1CCN(S(=O)(=O)c2cc(C(=O)OC)ccc2C(=O)OC)CC1 ZINC000514721194 1071844935 /nfs/dbraw/zinc/84/49/35/1071844935.db2.gz RQMKFSSQTIXTKB-UHFFFAOYSA-N 0 0 439.490 -0.132 20 30 IBEDRN Cc1nc(C#N)c(N2CCN(C(=O)CN3CCCN(S(=O)(=O)N(C)C)CC3)CC2)o1 ZINC000514733050 1071848249 /nfs/dbraw/zinc/84/82/49/1071848249.db2.gz RKADCAGULYPOOK-UHFFFAOYSA-N 0 0 439.542 -0.683 20 30 IBEDRN CN(CC(N)=O)C(=O)c1cccc(NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)c1 ZINC000514734740 1071848906 /nfs/dbraw/zinc/84/89/06/1071848906.db2.gz SBVDPVQXQFRBMG-UHFFFAOYSA-N 0 0 449.471 -0.202 20 30 IBEDRN N#Cc1cccnc1N1CCN(CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CC1 ZINC000514748869 1071850279 /nfs/dbraw/zinc/85/02/79/1071850279.db2.gz XNEDEJZGHFXFBV-UHFFFAOYSA-N 0 0 441.536 -0.922 20 30 IBEDRN COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)C(=O)Nc2cc(C)nn2CCC#N)C1 ZINC000514769324 1071853145 /nfs/dbraw/zinc/85/31/45/1071853145.db2.gz WBLPVELANLXWQC-HNNXBMFYSA-N 0 0 440.526 -0.057 20 30 IBEDRN COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2cc(C)nn2CCC#N)C1 ZINC000514769325 1071853160 /nfs/dbraw/zinc/85/31/60/1071853160.db2.gz WBLPVELANLXWQC-OAHLLOKOSA-N 0 0 440.526 -0.057 20 30 IBEDRN COc1cc(CNC(=O)C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)ccc1C#N ZINC000514821923 1071856930 /nfs/dbraw/zinc/85/69/30/1071856930.db2.gz LESBJVKIZDCJQF-UHFFFAOYSA-N 0 0 426.433 -0.123 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1CCN1CCOCC1 ZINC000514835126 1071861367 /nfs/dbraw/zinc/86/13/67/1071861367.db2.gz AUJTZUPGXQOUCK-UHFFFAOYSA-N 0 0 442.541 -0.492 20 30 IBEDRN CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1CCN1CCOCC1 ZINC000514916475 1071865976 /nfs/dbraw/zinc/86/59/76/1071865976.db2.gz UTOJJHOPSRXHIS-UHFFFAOYSA-N 0 0 441.557 -0.088 20 30 IBEDRN COC(=O)c1ccc(N2CCN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)CC2)nn1 ZINC000515022571 1071870870 /nfs/dbraw/zinc/87/08/70/1071870870.db2.gz MJLUROHBHSLRGF-UHFFFAOYSA-N 0 0 444.473 -0.238 20 30 IBEDRN COCC(=O)N1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 ZINC000515137529 1071878187 /nfs/dbraw/zinc/87/81/87/1071878187.db2.gz IXAJDKXPPRHOMS-UHFFFAOYSA-N 0 0 449.533 -0.818 20 30 IBEDRN C=CCNC(=O)CN1CCN(S(=O)(=O)c2cccc(S(=O)(=O)NC3CC3)c2)CC1 ZINC000515179342 1071880043 /nfs/dbraw/zinc/88/00/43/1071880043.db2.gz OBVILDKVYWMGOM-UHFFFAOYSA-N 0 0 442.563 -0.264 20 30 IBEDRN C=CCNC(=O)CN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(=C)C)CC1 ZINC000515313760 1071886667 /nfs/dbraw/zinc/88/66/67/1071886667.db2.gz APSIZQMANAYUQF-HNNXBMFYSA-N 0 0 425.559 -0.111 20 30 IBEDRN C=CCNC(=O)CN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(=C)C)CC1 ZINC000515313761 1071886681 /nfs/dbraw/zinc/88/66/81/1071886681.db2.gz APSIZQMANAYUQF-OAHLLOKOSA-N 0 0 425.559 -0.111 20 30 IBEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CNS(=O)(=O)c3cccnc3)CC2)cc1 ZINC000515333869 1071887407 /nfs/dbraw/zinc/88/74/07/1071887407.db2.gz FLVJNLRJVHOKBV-UHFFFAOYSA-N 0 0 449.514 -0.235 20 30 IBEDRN CN(C)C(=O)CN1CCC(NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)CC1 ZINC000515393779 1071889284 /nfs/dbraw/zinc/88/92/84/1071889284.db2.gz HWEXMGPLKJQQHT-UHFFFAOYSA-N 0 0 427.509 -0.729 20 30 IBEDRN N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N3CCC[C@@H](CNC(N)=O)C3)C2=O)cc1 ZINC000515473875 1071892374 /nfs/dbraw/zinc/89/23/74/1071892374.db2.gz CAUBQAVNYNGYBJ-DLBZAZTESA-N 0 0 426.477 -0.318 20 30 IBEDRN N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N3CCC[C@H](CNC(N)=O)C3)C2=O)cc1 ZINC000515473876 1071892215 /nfs/dbraw/zinc/89/22/15/1071892215.db2.gz CAUBQAVNYNGYBJ-IAGOWNOFSA-N 0 0 426.477 -0.318 20 30 IBEDRN N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CCC[C@@H](CNC(N)=O)C3)C2=O)cc1 ZINC000515473877 1071892257 /nfs/dbraw/zinc/89/22/57/1071892257.db2.gz CAUBQAVNYNGYBJ-IRXDYDNUSA-N 0 0 426.477 -0.318 20 30 IBEDRN N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CCC[C@H](CNC(N)=O)C3)C2=O)cc1 ZINC000515473878 1071892281 /nfs/dbraw/zinc/89/22/81/1071892281.db2.gz CAUBQAVNYNGYBJ-SJORKVTESA-N 0 0 426.477 -0.318 20 30 IBEDRN Cn1c(=O)c(C#N)c(N2CCN(c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])CC2)n(C)c1=O ZINC000515550495 1071896647 /nfs/dbraw/zinc/89/66/47/1071896647.db2.gz UNHXFOSTINMPTQ-UHFFFAOYSA-N 0 0 448.461 -0.406 20 30 IBEDRN C=CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 ZINC000515557652 1071898067 /nfs/dbraw/zinc/89/80/67/1071898067.db2.gz YKBXCSDPTNACIF-AWEZNQCLSA-N 0 0 427.479 -0.292 20 30 IBEDRN C=CC[C@H](CO)NC(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 ZINC000515557653 1071897788 /nfs/dbraw/zinc/89/77/88/1071897788.db2.gz YKBXCSDPTNACIF-CQSZACIVSA-N 0 0 427.479 -0.292 20 30 IBEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)NCc2cccc(C(=O)NC3CC3)c2)c1=O ZINC000515560439 1071897804 /nfs/dbraw/zinc/89/78/04/1071897804.db2.gz NBPFLOBYLXVHJT-UHFFFAOYSA-N 0 0 439.472 -0.248 20 30 IBEDRN Cn1nccc1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(-c2ccccc2C#N)c1=O ZINC000515663747 1071900943 /nfs/dbraw/zinc/90/09/43/1071900943.db2.gz LNHUOIGGFKMRBI-UHFFFAOYSA-N 0 0 446.492 -0.134 20 30 IBEDRN CNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1CCN1CCOCC1 ZINC000515683958 1071901581 /nfs/dbraw/zinc/90/15/81/1071901581.db2.gz QCRYPTQIZOSCRM-UHFFFAOYSA-N 0 0 440.525 -0.574 20 30 IBEDRN CN(CC(=O)NCCN1CCN(c2ncccn2)CC1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000515823700 1071908837 /nfs/dbraw/zinc/90/88/37/1071908837.db2.gz NPRZYGXFBSTGMU-UHFFFAOYSA-N 0 0 443.533 -0.093 20 30 IBEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1C ZINC000515923102 1071912946 /nfs/dbraw/zinc/91/29/46/1071912946.db2.gz QVCFRQLZXJMNMS-UHFFFAOYSA-N 0 0 449.554 -0.104 20 30 IBEDRN CCn1c(=O)c(=Cc2ccc(S(C)(=O)=O)cc2)sc1=C(C#N)C(=O)NCCCOC ZINC000515923132 1071913172 /nfs/dbraw/zinc/91/31/72/1071913172.db2.gz SVELSDYFMBUBPW-UHFFFAOYSA-N 0 0 449.554 -0.011 20 30 IBEDRN CCn1c(=O)c(=Cc2ccc(S(C)(=O)=O)cc2)sc1=C(C#N)C(=O)NCCOC ZINC000515923211 1071912924 /nfs/dbraw/zinc/91/29/24/1071912924.db2.gz ZXTZKNHXHRAGBK-UHFFFAOYSA-N 0 0 435.527 -0.401 20 30 IBEDRN C=CCn1c(=O)c(=Cc2ccc(S(C)(=O)=O)cc2)sc1=C(C#N)C(=O)NCCOC ZINC000515923910 1071913184 /nfs/dbraw/zinc/91/31/84/1071913184.db2.gz OKZIDMDRZKJOBU-UHFFFAOYSA-N 0 0 447.538 -0.235 20 30 IBEDRN CCn1c(=O)c(=Cc2ccc(S(C)(=O)=O)cc2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000515924474 1071913698 /nfs/dbraw/zinc/91/36/98/1071913698.db2.gz KCBLDDFBSGFCBE-UHFFFAOYSA-N 0 0 447.538 -0.305 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1C1CC1 ZINC000515924732 1071913640 /nfs/dbraw/zinc/91/36/40/1071913640.db2.gz OSQWLEOABRVENO-UHFFFAOYSA-N 0 0 447.538 -0.086 20 30 IBEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(S(C)(=O)=O)CC2)cc1 ZINC000515943878 1071914201 /nfs/dbraw/zinc/91/42/01/1071914201.db2.gz NUGQURPJDPPYBQ-UHFFFAOYSA-N 0 0 444.535 -0.465 20 30 IBEDRN C=CCN1C(=O)c2ccc(C(=O)N3CCN(C(=O)CN4C(=O)CCC4=O)CC3)cc2C1=O ZINC000515994139 1071918503 /nfs/dbraw/zinc/91/85/03/1071918503.db2.gz DVFQUVQCNZYIMI-UHFFFAOYSA-N 0 0 438.440 -0.098 20 30 IBEDRN COCCn1cc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cn1 ZINC000516014085 1071919856 /nfs/dbraw/zinc/91/98/56/1071919856.db2.gz KRPORJFDSGQZHD-UHFFFAOYSA-N 0 0 446.489 -0.127 20 30 IBEDRN N#Cc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)cc1 ZINC000516042633 1071920165 /nfs/dbraw/zinc/92/01/65/1071920165.db2.gz AIBYITDYLICDMZ-UHFFFAOYSA-N 0 0 431.430 -0.278 20 30 IBEDRN N#Cc1ccc(N2CCN(C(=O)C(=O)Nc3ccc(N4CCNC(=O)C4)nc3)CC2)nc1 ZINC000516094901 1071924496 /nfs/dbraw/zinc/92/44/96/1071924496.db2.gz AOIIPIQXMJXAAL-UHFFFAOYSA-N 0 0 434.460 -0.428 20 30 IBEDRN C=CCN(C(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000516146887 1071926325 /nfs/dbraw/zinc/92/63/25/1071926325.db2.gz QQBJMQQOBKTMTO-HNNXBMFYSA-N 0 0 441.531 -0.378 20 30 IBEDRN C=CCN(C(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000516146888 1071926172 /nfs/dbraw/zinc/92/61/72/1071926172.db2.gz QQBJMQQOBKTMTO-OAHLLOKOSA-N 0 0 441.531 -0.378 20 30 IBEDRN N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCC[C@H](CNS(N)(=O)=O)C2)CC1 ZINC000516202465 1071928123 /nfs/dbraw/zinc/92/81/23/1071928123.db2.gz ZXJLYLAMJVKCSG-CVEARBPZSA-N 0 0 440.595 -0.038 20 30 IBEDRN N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCC[C@@H](CNS(N)(=O)=O)C2)CC1 ZINC000516202466 1071928168 /nfs/dbraw/zinc/92/81/68/1071928168.db2.gz ZXJLYLAMJVKCSG-HOTGVXAUSA-N 0 0 440.595 -0.038 20 30 IBEDRN N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCC[C@H](CNS(N)(=O)=O)C2)CC1 ZINC000516202467 1071928067 /nfs/dbraw/zinc/92/80/67/1071928067.db2.gz ZXJLYLAMJVKCSG-HZPDHXFCSA-N 0 0 440.595 -0.038 20 30 IBEDRN N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCC[C@@H](CNS(N)(=O)=O)C2)CC1 ZINC000516202468 1071928031 /nfs/dbraw/zinc/92/80/31/1071928031.db2.gz ZXJLYLAMJVKCSG-JKSUJKDBSA-N 0 0 440.595 -0.038 20 30 IBEDRN Cn1cc(N2CCN(C(=O)C(=O)N[C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)CC2=O)cn1 ZINC000516208253 1071929399 /nfs/dbraw/zinc/92/93/99/1071929399.db2.gz JSPOTQPPWQVUDF-GOSISDBHSA-N 0 0 449.471 -0.221 20 30 IBEDRN Cn1cc(N2CCN(C(=O)C(=O)N[C@H]3CCCN(c4ccc(C#N)cc4)C3=O)CC2=O)cn1 ZINC000516208254 1071929386 /nfs/dbraw/zinc/92/93/86/1071929386.db2.gz JSPOTQPPWQVUDF-SFHVURJKSA-N 0 0 449.471 -0.221 20 30 IBEDRN C=CCOc1cccc(NC(=O)C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)c1 ZINC000516307944 1071932431 /nfs/dbraw/zinc/93/24/31/1071932431.db2.gz UYAQZVRIRXRUQM-UHFFFAOYSA-N 0 0 430.461 -0.281 20 30 IBEDRN CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000516311937 1071932626 /nfs/dbraw/zinc/93/26/26/1071932626.db2.gz XWORCTPKPSARKR-UHFFFAOYSA-N 0 0 429.477 -0.102 20 30 IBEDRN COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)Cn3cncc(C#N)c3=O)CC2)c1 ZINC000516352490 1071934294 /nfs/dbraw/zinc/93/42/94/1071934294.db2.gz XQYPENCGBROGIU-UHFFFAOYSA-N 0 0 447.473 -0.335 20 30 IBEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCN3CCCS3(=O)=O)CC2)cc1 ZINC000516436499 1071941002 /nfs/dbraw/zinc/94/10/02/1071941002.db2.gz DNYOTBCKRYXKFV-UHFFFAOYSA-N 0 0 426.520 -0.183 20 30 IBEDRN N#Cc1cc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)ccc1Cl ZINC000516445552 1071939981 /nfs/dbraw/zinc/93/99/81/1071939981.db2.gz HYHREOSFMIZZSH-UHFFFAOYSA-N 0 0 441.897 -0.129 20 30 IBEDRN C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3ccc(C#N)cc3)CC2)C[C@H](C)O1 ZINC000516446259 1071939851 /nfs/dbraw/zinc/93/98/51/1071939851.db2.gz LZXTURCSJQSWHP-GASCZTMLSA-N 0 0 435.506 -0.005 20 30 IBEDRN C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3ccc(C#N)cc3)CC2)C[C@H](C)O1 ZINC000516446261 1071939839 /nfs/dbraw/zinc/93/98/39/1071939839.db2.gz LZXTURCSJQSWHP-GJZGRUSLSA-N 0 0 435.506 -0.005 20 30 IBEDRN C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3ccc(C#N)cc3)CC2)C[C@@H](C)O1 ZINC000516446262 1071939945 /nfs/dbraw/zinc/93/99/45/1071939945.db2.gz LZXTURCSJQSWHP-HUUCEWRRSA-N 0 0 435.506 -0.005 20 30 IBEDRN Cn1c2ncc(NC(=O)C(=O)N3CCN(c4ccc(C#N)cn4)CC3)cc2c(=O)n(C)c1=O ZINC000516482490 1071942113 /nfs/dbraw/zinc/94/21/13/1071942113.db2.gz AWTQIDVYOXMHDB-UHFFFAOYSA-N 0 0 448.443 -0.814 20 30 IBEDRN CCOC(=O)C=c1sc(=Cc2nc(C#N)cs2)c(=O)n1CC(=O)N1CCOCC1 ZINC000516520481 1071943097 /nfs/dbraw/zinc/94/30/97/1071943097.db2.gz PVBKRNLGMJZUBP-UHFFFAOYSA-N 0 0 434.499 -0.731 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccsc2Cl)c(=O)n1CC(N)=O ZINC000516524243 1071943193 /nfs/dbraw/zinc/94/31/93/1071943193.db2.gz IRVUDHVHAJWQGK-UHFFFAOYSA-N 0 0 426.907 -0.624 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CCCN(C3CCCCC3)C2=O)CC1 ZINC000516597946 1072466214 /nfs/dbraw/zinc/46/62/14/1072466214.db2.gz NVDHMAVEEFPPCR-GOSISDBHSA-N 0 0 433.553 -0.127 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H]2CCCN(C3CCCCC3)C2=O)CC1 ZINC000516597947 1072466242 /nfs/dbraw/zinc/46/62/42/1072466242.db2.gz NVDHMAVEEFPPCR-SFHVURJKSA-N 0 0 433.553 -0.127 20 30 IBEDRN CN(C)S(=O)(=O)n1ccnc1CN1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000516692619 1071951390 /nfs/dbraw/zinc/95/13/90/1071951390.db2.gz ZKGJXAFXVCMPOO-UHFFFAOYSA-N 0 0 438.535 -0.084 20 30 IBEDRN C=CCN(C(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000516699236 1072604694 /nfs/dbraw/zinc/60/46/94/1072604694.db2.gz XVXOPHXGTXLVEA-HNNXBMFYSA-N 0 0 441.531 -0.378 20 30 IBEDRN C=CCN(C(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000516699237 1071953033 /nfs/dbraw/zinc/95/30/33/1071953033.db2.gz XVXOPHXGTXLVEA-OAHLLOKOSA-N 0 0 441.531 -0.378 20 30 IBEDRN CN(C)C(=O)Cn1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)nn1 ZINC000516767870 1071955458 /nfs/dbraw/zinc/95/54/58/1071955458.db2.gz LAVWZJGVKSWUSC-UHFFFAOYSA-N 0 0 431.478 -0.615 20 30 IBEDRN COc1ccc(CNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)cc1S(N)(=O)=O ZINC000516822655 1071962779 /nfs/dbraw/zinc/96/27/79/1071962779.db2.gz AELICIGZMXBORE-UHFFFAOYSA-N 0 0 438.487 -0.191 20 30 IBEDRN CN(CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000516840179 1071963475 /nfs/dbraw/zinc/96/34/75/1071963475.db2.gz YZDCMUNGWQPSPN-INIZCTEOSA-N 0 0 440.547 -0.490 20 30 IBEDRN CN(CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000516840180 1071963465 /nfs/dbraw/zinc/96/34/65/1071963465.db2.gz YZDCMUNGWQPSPN-MRXNPFEDSA-N 0 0 440.547 -0.490 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)cs2)c(=O)n1CC(N)=O ZINC000516906638 1071965088 /nfs/dbraw/zinc/96/50/88/1071965088.db2.gz DRMHMLRAWGXNKN-UHFFFAOYSA-N 0 0 426.907 -0.624 20 30 IBEDRN Cc1cc(N2CCN(C(=O)CNS(=O)(=O)c3cccc(C#N)c3)CC2)n2ncnc2n1 ZINC000516939033 1071966961 /nfs/dbraw/zinc/96/69/61/1071966961.db2.gz JTSAIMIUSMXDJU-UHFFFAOYSA-N 0 0 440.489 -0.069 20 30 IBEDRN COC(=O)c1cn([C@@H]2CCN(C(=O)C(=O)Nc3ccccc3-n3cnc(C#N)n3)C2)nn1 ZINC000517001229 1071969879 /nfs/dbraw/zinc/96/98/79/1071969879.db2.gz WSRKOOAVDWQFMJ-GFCCVEGCSA-N 0 0 435.404 -0.071 20 30 IBEDRN COC(=O)c1cn([C@H]2CCN(C(=O)C(=O)Nc3ccccc3-n3cnc(C#N)n3)C2)nn1 ZINC000517001230 1071969954 /nfs/dbraw/zinc/96/99/54/1071969954.db2.gz WSRKOOAVDWQFMJ-LBPRGKRZSA-N 0 0 435.404 -0.071 20 30 IBEDRN N#Cc1ncn(CCNC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)n1 ZINC000517048253 1071971800 /nfs/dbraw/zinc/97/18/00/1071971800.db2.gz LJRLKXPJDJZMMB-UHFFFAOYSA-N 0 0 447.477 -0.363 20 30 IBEDRN COCCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC000517051914 1071970586 /nfs/dbraw/zinc/97/05/86/1071970586.db2.gz MMWNUJZFXQDSRR-DLBZAZTESA-N 0 0 434.497 -0.815 20 30 IBEDRN COCCO[C@@H]1COCC[C@H]1NC(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC000517051915 1071970571 /nfs/dbraw/zinc/97/05/71/1071970571.db2.gz MMWNUJZFXQDSRR-IAGOWNOFSA-N 0 0 434.497 -0.815 20 30 IBEDRN COCCO[C@H]1COCC[C@@H]1NC(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC000517051916 1071970506 /nfs/dbraw/zinc/97/05/06/1071970506.db2.gz MMWNUJZFXQDSRR-IRXDYDNUSA-N 0 0 434.497 -0.815 20 30 IBEDRN COCCO[C@H]1COCC[C@H]1NC(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC000517051917 1071970590 /nfs/dbraw/zinc/97/05/90/1071970590.db2.gz MMWNUJZFXQDSRR-SJORKVTESA-N 0 0 434.497 -0.815 20 30 IBEDRN C=CCCOCCNC(=O)C(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000517053260 1071971059 /nfs/dbraw/zinc/97/10/59/1071971059.db2.gz ITWYVYXGINLTDI-HOTGVXAUSA-N 0 0 432.543 -0.807 20 30 IBEDRN C=CCCOCCNC(=O)C(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000517053261 1071971184 /nfs/dbraw/zinc/97/11/84/1071971184.db2.gz ITWYVYXGINLTDI-HZPDHXFCSA-N 0 0 432.543 -0.807 20 30 IBEDRN C=CCCOCCNC(=O)C(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000517053262 1071971103 /nfs/dbraw/zinc/97/11/03/1071971103.db2.gz ITWYVYXGINLTDI-IYBDPMFKSA-N 0 0 432.543 -0.807 20 30 IBEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(C(=O)COC)CC2)cc1 ZINC000517141567 1071975789 /nfs/dbraw/zinc/97/57/89/1071975789.db2.gz AMBTUYYPPHDLCM-UHFFFAOYSA-N 0 0 438.506 -0.251 20 30 IBEDRN N#Cc1ccnc(N2CCN(C(=O)C(=O)Nc3ccc(N4CCNC(=O)C4)nc3)CC2)c1 ZINC000517152351 1071977007 /nfs/dbraw/zinc/97/70/07/1071977007.db2.gz YVKZIOVOTVAQQV-UHFFFAOYSA-N 0 0 434.460 -0.428 20 30 IBEDRN N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)NCC3(N4CCOCC4)CC3)C2=O)cc1 ZINC000517198124 1071980000 /nfs/dbraw/zinc/98/00/00/1071980000.db2.gz PBQYLTGQYYLJCA-GOSISDBHSA-N 0 0 425.489 -0.244 20 30 IBEDRN N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)NCC3(N4CCOCC4)CC3)C2=O)cc1 ZINC000517198125 1071979899 /nfs/dbraw/zinc/97/98/99/1071979899.db2.gz PBQYLTGQYYLJCA-SFHVURJKSA-N 0 0 425.489 -0.244 20 30 IBEDRN N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)CCO1 ZINC000517329319 1071989725 /nfs/dbraw/zinc/98/97/25/1071989725.db2.gz YPRHUEKEPIXJCK-CYBMUJFWSA-N 0 0 426.426 -0.464 20 30 IBEDRN N#C[C@H]1CN(C(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)CCO1 ZINC000517329329 1071989673 /nfs/dbraw/zinc/98/96/73/1071989673.db2.gz YPRHUEKEPIXJCK-ZDUSSCGKSA-N 0 0 426.426 -0.464 20 30 IBEDRN N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCN(CC(=O)Nc3nncs3)CC2)cc1 ZINC000517349631 1071990388 /nfs/dbraw/zinc/99/03/88/1071990388.db2.gz MLCXTTSLVRQEOF-UHFFFAOYSA-N 0 0 449.518 -0.529 20 30 IBEDRN CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)N[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000517425519 1071993814 /nfs/dbraw/zinc/99/38/14/1071993814.db2.gz NOCGPTTWTOERGH-GFCCVEGCSA-N 0 0 429.403 -0.076 20 30 IBEDRN CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)N[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000517425520 1071993518 /nfs/dbraw/zinc/99/35/18/1071993518.db2.gz NOCGPTTWTOERGH-LBPRGKRZSA-N 0 0 429.403 -0.076 20 30 IBEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2C)c(=O)n1CC(N)=O ZINC000517488641 1071995389 /nfs/dbraw/zinc/99/53/89/1071995389.db2.gz JLWNOVAEXWHGKX-UHFFFAOYSA-N 0 0 428.514 -0.332 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)cc2F)c(=O)n1CC(N)=O ZINC000517493231 1071996066 /nfs/dbraw/zinc/99/60/66/1071996066.db2.gz FYAZCWSUHPEWGN-UHFFFAOYSA-N 0 0 438.868 -0.547 20 30 IBEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCS(=O)(=O)CC3)CC2)cc1 ZINC000517539144 1071997083 /nfs/dbraw/zinc/99/70/83/1071997083.db2.gz MTJKNFYREAYDDI-UHFFFAOYSA-N 0 0 426.520 -0.878 20 30 IBEDRN C=CC[C@@H](CO)NC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1OC ZINC000517627233 1072000808 /nfs/dbraw/zinc/00/08/08/1072000808.db2.gz SRLQBQIZCVRBDM-AWEZNQCLSA-N 0 0 440.522 -0.377 20 30 IBEDRN C=CC[C@H](CO)NC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1OC ZINC000517627237 1072000858 /nfs/dbraw/zinc/00/08/58/1072000858.db2.gz SRLQBQIZCVRBDM-CQSZACIVSA-N 0 0 440.522 -0.377 20 30 IBEDRN COC(=O)CN(CCN1CCOCC1)C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 ZINC000517645037 1072612581 /nfs/dbraw/zinc/61/25/81/1072612581.db2.gz XZLFJONPLJVKHW-UHFFFAOYSA-N 0 0 438.506 -0.174 20 30 IBEDRN N#CCCCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000517713092 1072008302 /nfs/dbraw/zinc/00/83/02/1072008302.db2.gz KIUGXMOGALYYTE-UHFFFAOYSA-N 0 0 436.537 -0.726 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)c2cc(C3CC3)nc3c2c(=O)[nH]c(=O)n3C)CC1 ZINC000517760058 1072009839 /nfs/dbraw/zinc/00/98/39/1072009839.db2.gz QCBJLJFDRRFOCY-UHFFFAOYSA-N 0 0 426.477 -0.029 20 30 IBEDRN C=CCOc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)c1 ZINC000517833586 1072012777 /nfs/dbraw/zinc/01/27/77/1072012777.db2.gz RDNBSSWIQRYMAU-UHFFFAOYSA-N 0 0 438.506 -0.089 20 30 IBEDRN CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000517841865 1072013208 /nfs/dbraw/zinc/01/32/08/1072013208.db2.gz VFEWUZKAWKQLCA-UHFFFAOYSA-N 0 0 443.460 -0.575 20 30 IBEDRN Cc1cc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C)c2=O)ccc1F ZINC000517923294 1072016922 /nfs/dbraw/zinc/01/69/22/1072016922.db2.gz DMKHHLGJSUNPOA-UHFFFAOYSA-N 0 0 430.505 -0.154 20 30 IBEDRN CCn1nccc1N1CCC[C@H](NC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)C1=O ZINC000518011319 1073359536 /nfs/dbraw/zinc/35/95/36/1073359536.db2.gz RUIIANCPFGHHAU-HNNXBMFYSA-N 0 0 441.496 -0.217 20 30 IBEDRN CCn1nccc1N1CCC[C@@H](NC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)C1=O ZINC000518011321 1072021460 /nfs/dbraw/zinc/02/14/60/1072021460.db2.gz RUIIANCPFGHHAU-OAHLLOKOSA-N 0 0 441.496 -0.217 20 30 IBEDRN N#C[C@H]1CN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCO[C@@H](C#N)C3)cc2)CCO1 ZINC000518013545 1072021615 /nfs/dbraw/zinc/02/16/15/1072021615.db2.gz FFVUNIQKVROMFU-KBPBESRZSA-N 0 0 426.476 -0.487 20 30 IBEDRN N#C[C@H]1CN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCO[C@H](C#N)C3)cc2)CCO1 ZINC000518013546 1072021551 /nfs/dbraw/zinc/02/15/51/1072021551.db2.gz FFVUNIQKVROMFU-OKILXGFUSA-N 0 0 426.476 -0.487 20 30 IBEDRN N#C[C@@H]1CN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCO[C@H](C#N)C3)cc2)CCO1 ZINC000518013547 1072021498 /nfs/dbraw/zinc/02/14/98/1072021498.db2.gz FFVUNIQKVROMFU-ZIAGYGMSSA-N 0 0 426.476 -0.487 20 30 IBEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c([N+](=O)[O-])c2)c(=O)n1CC(N)=O ZINC000518034265 1072022973 /nfs/dbraw/zinc/02/29/73/1072022973.db2.gz HJRJYRMWMCRSFG-UHFFFAOYSA-N 0 0 445.457 -0.659 20 30 IBEDRN N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccc(F)c(C#N)c2Cl)c(=O)n1CC(N)=O ZINC000518056401 1072023633 /nfs/dbraw/zinc/02/36/33/1072023633.db2.gz AVUDCACIPDNDQV-UHFFFAOYSA-N 0 0 445.863 -0.159 20 30 IBEDRN Cn1c2ncc(NC(=O)C(=O)N3CCN(c4cc(C#N)ccn4)CC3)cc2c(=O)n(C)c1=O ZINC000518076056 1072026181 /nfs/dbraw/zinc/02/61/81/1072026181.db2.gz YCIRHJZGHKTAPD-UHFFFAOYSA-N 0 0 448.443 -0.814 20 30 IBEDRN N#Cc1ccnc(N2CCN(C(=O)C(=O)Nc3cccc(C(=O)NCC(N)=O)c3)CC2)c1 ZINC000518077098 1072026297 /nfs/dbraw/zinc/02/62/97/1072026297.db2.gz SLGVQHKQRUVKBK-UHFFFAOYSA-N 0 0 435.444 -0.544 20 30 IBEDRN N#Cc1ccc(S(=O)(=O)N2CCN([C@H]3CC(=O)N(c4cnccn4)C3=O)CC2)cc1 ZINC000518090469 1072027325 /nfs/dbraw/zinc/02/73/25/1072027325.db2.gz RMLIOKAXLGGVPV-INIZCTEOSA-N 0 0 426.458 -0.013 20 30 IBEDRN N#Cc1ccc(S(=O)(=O)N2CCN([C@@H]3CC(=O)N(c4cnccn4)C3=O)CC2)cc1 ZINC000518090470 1072027178 /nfs/dbraw/zinc/02/71/78/1072027178.db2.gz RMLIOKAXLGGVPV-MRXNPFEDSA-N 0 0 426.458 -0.013 20 30 IBEDRN N#Cc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)c1 ZINC000518124412 1072029480 /nfs/dbraw/zinc/02/94/80/1072029480.db2.gz HCEVSSYUHQFNMA-UHFFFAOYSA-N 0 0 431.430 -0.278 20 30 IBEDRN N#Cc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)cc1Cl ZINC000518138353 1072030206 /nfs/dbraw/zinc/03/02/06/1072030206.db2.gz MHLVJXJNMPUFIT-UHFFFAOYSA-N 0 0 441.897 -0.129 20 30 IBEDRN Cc1ccc(C(=O)NCCS(=O)(=O)N2CCSCC2)cc1S(=O)(=O)NCC#N ZINC000518181851 1072036566 /nfs/dbraw/zinc/03/65/66/1072036566.db2.gz PQQLCXUUCIQABL-UHFFFAOYSA-N 0 0 446.576 -0.095 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(CCNC(=O)c3ccccc3F)CC2)C1=O ZINC000518209123 1072038414 /nfs/dbraw/zinc/03/84/14/1072038414.db2.gz MISHYMJJADICPT-UHFFFAOYSA-N 0 0 445.451 -0.324 20 30 IBEDRN N#Cc1ccc(N2CCN(C(=O)C(=O)Nc3cccc(C(=O)NCC(N)=O)c3)CC2)nc1 ZINC000518209816 1072038970 /nfs/dbraw/zinc/03/89/70/1072038970.db2.gz BVOVXFBQFKEECP-UHFFFAOYSA-N 0 0 435.444 -0.544 20 30 IBEDRN C=CCN([C@H](C)c1cccc(-n2cnnn2)c1)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000518239003 1072041649 /nfs/dbraw/zinc/04/16/49/1072041649.db2.gz YYEFSDWOYFKAFN-CYBMUJFWSA-N 0 0 431.478 -0.002 20 30 IBEDRN C=CCN([C@@H](C)c1cccc(-n2cnnn2)c1)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000518239005 1072041504 /nfs/dbraw/zinc/04/15/04/1072041504.db2.gz YYEFSDWOYFKAFN-ZDUSSCGKSA-N 0 0 431.478 -0.002 20 30 IBEDRN CN1CCN(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3ccc(C#N)c(F)c3)CC2)CC1 ZINC000518448290 1072059127 /nfs/dbraw/zinc/05/91/27/1072059127.db2.gz XWQCEYYQPQRDSE-UHFFFAOYSA-N 0 0 438.485 -0.728 20 30 IBEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2cccc(F)c2F)c(=O)n1CC(N)=O ZINC000518594145 1072071180 /nfs/dbraw/zinc/07/11/80/1072071180.db2.gz PNHZPXOFZSLSBB-UHFFFAOYSA-N 0 0 434.424 -0.965 20 30 IBEDRN Cn1c(=O)c(=Cc2cccc(F)c2F)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000518594214 1072071323 /nfs/dbraw/zinc/07/13/23/1072071323.db2.gz SXHZIZBRVYBNHI-UHFFFAOYSA-N 0 0 434.468 -0.324 20 30 IBEDRN N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2ccc(S(=O)(=O)CCO)cc2)cc1 ZINC000518629457 1072072815 /nfs/dbraw/zinc/07/28/15/1072072815.db2.gz GLTYZZCZDMVXAN-UHFFFAOYSA-N 0 0 437.499 -0.081 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)CNC(=O)[C@@H]2c3ccccc3C(=O)N2C2CC2)CC1 ZINC000518637955 1072073907 /nfs/dbraw/zinc/07/39/07/1072073907.db2.gz HBINYJHNVPBFFF-NRFANRHFSA-N 0 0 439.516 -0.092 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)CNC(=O)[C@H]2c3ccccc3C(=O)N2C2CC2)CC1 ZINC000518637956 1072073809 /nfs/dbraw/zinc/07/38/09/1072073809.db2.gz HBINYJHNVPBFFF-OAQYLSRUSA-N 0 0 439.516 -0.092 20 30 IBEDRN Cc1ccc(C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)cc1S(=O)(=O)NCC#N ZINC000518687929 1072081207 /nfs/dbraw/zinc/08/12/07/1072081207.db2.gz LPHVNAKCUDTCDQ-UHFFFAOYSA-N 0 0 442.457 -0.005 20 30 IBEDRN Cc1cccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CC(N)=O)c2=O)c1C ZINC000518704377 1072081700 /nfs/dbraw/zinc/08/17/00/1072081700.db2.gz IPRPEDQHVKWHEH-UHFFFAOYSA-N 0 0 426.498 -0.626 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(CC(=O)N[C@H]3CCC[C@@H](C)C3)CC2)C1=O ZINC000518710756 1072082120 /nfs/dbraw/zinc/08/21/20/1072082120.db2.gz AOACHBMSIBSXPY-CVEARBPZSA-N 0 0 433.509 -0.198 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(CC(=O)N[C@H]3CCC[C@H](C)C3)CC2)C1=O ZINC000518710757 1072082009 /nfs/dbraw/zinc/08/20/09/1072082009.db2.gz AOACHBMSIBSXPY-HOTGVXAUSA-N 0 0 433.509 -0.198 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(CC(=O)N[C@@H]3CCC[C@@H](C)C3)CC2)C1=O ZINC000518710758 1072082504 /nfs/dbraw/zinc/08/25/04/1072082504.db2.gz AOACHBMSIBSXPY-HZPDHXFCSA-N 0 0 433.509 -0.198 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(CC(=O)N[C@@H]3CCC[C@H](C)C3)CC2)C1=O ZINC000518710759 1072082419 /nfs/dbraw/zinc/08/24/19/1072082419.db2.gz AOACHBMSIBSXPY-JKSUJKDBSA-N 0 0 433.509 -0.198 20 30 IBEDRN N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)cc1 ZINC000518747080 1072084437 /nfs/dbraw/zinc/08/44/37/1072084437.db2.gz UFXBTMHNEYFBNG-UHFFFAOYSA-N 0 0 434.518 -0.524 20 30 IBEDRN Cc1ccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C)c2=O)cc1F ZINC000518791236 1072087260 /nfs/dbraw/zinc/08/72/60/1072087260.db2.gz CWNKVOMILYDUAU-UHFFFAOYSA-N 0 0 430.505 -0.154 20 30 IBEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)c(F)c2)c(=O)n1CC(N)=O ZINC000518791331 1072087318 /nfs/dbraw/zinc/08/73/18/1072087318.db2.gz LOLLJTFFTRQHMD-UHFFFAOYSA-N 0 0 446.504 -0.112 20 30 IBEDRN CC(=O)NCCNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000518891302 1072091864 /nfs/dbraw/zinc/09/18/64/1072091864.db2.gz WTNOSPPWIYHUAT-UHFFFAOYSA-N 0 0 435.506 -0.576 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)NCCC(=O)N2CCN(c3ccccc3)CC2)C1=O ZINC000519096675 1072109951 /nfs/dbraw/zinc/10/99/51/1072109951.db2.gz TYAVDKXXZBLZMX-UHFFFAOYSA-N 0 0 427.461 -0.182 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1=O ZINC000519097503 1072109935 /nfs/dbraw/zinc/10/99/35/1072109935.db2.gz POVOVLCRBSAFEE-UHFFFAOYSA-N 0 0 445.457 -0.632 20 30 IBEDRN N#CCNC(=O)CNC(=O)CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21 ZINC000519446177 1072138160 /nfs/dbraw/zinc/13/81/60/1072138160.db2.gz YOFHCQWUBHKRIR-UHFFFAOYSA-N 0 0 435.462 -0.475 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(CC(=O)N3CCN(CC)CC3)CC2)C1=O ZINC000519469005 1072140017 /nfs/dbraw/zinc/14/00/17/1072140017.db2.gz KLTLYBYUZIHTFU-UHFFFAOYSA-N 0 0 433.509 -0.244 20 30 IBEDRN N#Cc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)cc1F ZINC000519791096 1072231293 /nfs/dbraw/zinc/23/12/93/1072231293.db2.gz HKXNDWNEMZMUQU-UHFFFAOYSA-N 0 0 425.442 -0.643 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)C1=O ZINC000519846317 1072234544 /nfs/dbraw/zinc/23/45/44/1072234544.db2.gz WOGKYFHYRYRCHT-GFCCVEGCSA-N 0 0 440.503 -0.006 20 30 IBEDRN Cn1cc(S(=O)(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c(=O)n(C)c1=O ZINC000520051382 1072245144 /nfs/dbraw/zinc/24/51/44/1072245144.db2.gz RHCFZKLDXKLJKK-UHFFFAOYSA-N 0 0 431.474 -0.005 20 30 IBEDRN CC(C)NS(=O)(=O)CCNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000520210187 1072258814 /nfs/dbraw/zinc/25/88/14/1072258814.db2.gz ADYTZIMISFBLOW-UHFFFAOYSA-N 0 0 443.551 -0.098 20 30 IBEDRN Cc1ccc(C(=O)N[C@H](C)C(=O)N2CCS(=O)(=O)CC2)cc1S(=O)(=O)NCC#N ZINC000520234514 1072259810 /nfs/dbraw/zinc/25/98/10/1072259810.db2.gz LYAZWXXOSRHPMS-CYBMUJFWSA-N 0 0 442.519 -0.828 20 30 IBEDRN Cc1ccc(C(=O)N[C@@H](C)C(=O)N2CCS(=O)(=O)CC2)cc1S(=O)(=O)NCC#N ZINC000520234515 1072259771 /nfs/dbraw/zinc/25/97/71/1072259771.db2.gz LYAZWXXOSRHPMS-ZDUSSCGKSA-N 0 0 442.519 -0.828 20 30 IBEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OCCOC)cc2)c(=O)n1CC(N)=O ZINC000520335013 1072267072 /nfs/dbraw/zinc/26/70/72/1072267072.db2.gz GADCRJFLBPHWFR-UHFFFAOYSA-N 0 0 442.497 -0.774 20 30 IBEDRN N#CCCCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC000520362750 1072269404 /nfs/dbraw/zinc/26/94/04/1072269404.db2.gz UFJNRBPSGJYLBG-UHFFFAOYSA-N 0 0 428.492 -0.043 20 30 IBEDRN N#CCC(=O)N1CCN(C(=O)CCSCCC(=O)N2CCN(C(=O)CC#N)CC2)CC1 ZINC000520457192 1072288338 /nfs/dbraw/zinc/28/83/38/1072288338.db2.gz BTGRIQMGMOYIJJ-UHFFFAOYSA-N 0 0 448.549 -0.331 20 30 IBEDRN N#Cc1ccc(-n2ccc(NC(=O)C(=O)N=c3ccn(CCC(N)=O)[nH]3)n2)c(Cl)c1 ZINC000520464733 1072290066 /nfs/dbraw/zinc/29/00/66/1072290066.db2.gz NFLVULRKSJCWAV-UHFFFAOYSA-N 0 0 426.824 -0.110 20 30 IBEDRN COCc1noc(CN2CCN(C(=O)CNS(=O)(=O)c3cccc(C#N)c3)CC2)n1 ZINC000520466737 1072290438 /nfs/dbraw/zinc/29/04/38/1072290438.db2.gz YLTVZMLQSPXIIC-UHFFFAOYSA-N 0 0 434.478 -0.290 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)NCC(=O)N2CCN(Cc3ccccc3)CC2)C1=O ZINC000520508677 1072296774 /nfs/dbraw/zinc/29/67/74/1072296774.db2.gz OJLVOFIDBJOLOD-UHFFFAOYSA-N 0 0 427.461 -0.576 20 30 IBEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CC(C)(C)O3)c(=O)n1CC(N)=O ZINC000520625538 1072308020 /nfs/dbraw/zinc/30/80/20/1072308020.db2.gz ODDPAXFRNIJFFM-UHFFFAOYSA-N 0 0 438.509 -0.086 20 30 IBEDRN CN(C[C@@H]1CCCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)C1)S(C)(=O)=O ZINC000520672272 1072314591 /nfs/dbraw/zinc/31/45/91/1072314591.db2.gz NTAVMHGLSRHJNZ-HNNXBMFYSA-N 0 0 428.536 -0.033 20 30 IBEDRN CN(C[C@H]1CCCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)C1)S(C)(=O)=O ZINC000520672273 1072314579 /nfs/dbraw/zinc/31/45/79/1072314579.db2.gz NTAVMHGLSRHJNZ-OAHLLOKOSA-N 0 0 428.536 -0.033 20 30 IBEDRN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)N1CCO[C@H](C#N)C1 ZINC000520701369 1072317294 /nfs/dbraw/zinc/31/72/94/1072317294.db2.gz RQGJVYGWQXSOEH-CYBMUJFWSA-N 0 0 438.462 -0.594 20 30 IBEDRN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)N1CCO[C@@H](C#N)C1 ZINC000520701370 1072317494 /nfs/dbraw/zinc/31/74/94/1072317494.db2.gz RQGJVYGWQXSOEH-ZDUSSCGKSA-N 0 0 438.462 -0.594 20 30 IBEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2F)c(=O)n1CC(N)=O ZINC000520756726 1072321894 /nfs/dbraw/zinc/32/18/94/1072321894.db2.gz UMVNSQFNVCDFHT-UHFFFAOYSA-N 0 0 436.440 -0.671 20 30 IBEDRN CNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2F)c(=O)n1CCN1CCOCC1 ZINC000520757247 1072321981 /nfs/dbraw/zinc/32/19/81/1072321981.db2.gz FGAVRRVWHKDYKO-UHFFFAOYSA-N 0 0 434.468 -0.231 20 30 IBEDRN CC(=O)N1CCN(C(=O)CCNC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)CC1 ZINC000520866444 1072370009 /nfs/dbraw/zinc/37/00/09/1072370009.db2.gz JMTRHWOPNZKWRP-UHFFFAOYSA-N 0 0 435.506 -0.393 20 30 IBEDRN CCc1ccc(C=c2sc(=C(C#N)C(=O)NCCCOC)n(CC(N)=O)c2=O)s1 ZINC000520881871 1072370208 /nfs/dbraw/zinc/37/02/08/1072370208.db2.gz IRAMYDCLJXQYDF-UHFFFAOYSA-N 0 0 434.543 -0.325 20 30 IBEDRN N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(S(N)(=O)=O)CC3)CC2)cc1 ZINC000521114157 1072409619 /nfs/dbraw/zinc/40/96/19/1072409619.db2.gz WQNDEQZRGLAJFO-UHFFFAOYSA-N 0 0 441.535 -0.693 20 30 IBEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C)c2=O)cc1[N+](=O)[O-] ZINC000521251178 1072430203 /nfs/dbraw/zinc/43/02/03/1072430203.db2.gz VJBOLCZTQPXMSA-UHFFFAOYSA-N 0 0 430.442 -0.275 20 30 IBEDRN N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N3CCN(c4ncccn4)CC3)C2=O)cc1 ZINC000521305437 1072434652 /nfs/dbraw/zinc/43/46/52/1072434652.db2.gz QPJVAQKWEQJPSX-GOSISDBHSA-N 0 0 433.472 -0.086 20 30 IBEDRN N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CCN(c4ncccn4)CC3)C2=O)cc1 ZINC000521305440 1072434501 /nfs/dbraw/zinc/43/45/01/1072434501.db2.gz QPJVAQKWEQJPSX-SFHVURJKSA-N 0 0 433.472 -0.086 20 30 IBEDRN CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000521322539 1072436615 /nfs/dbraw/zinc/43/66/15/1072436615.db2.gz WREUVIPLQAVHTK-CQSZACIVSA-N 0 0 429.524 -0.776 20 30 IBEDRN CN(C[C@H](O)CN1CCOCC1)C(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000521416100 1072446308 /nfs/dbraw/zinc/44/63/08/1072446308.db2.gz DRUUXUMUYCIISF-MSOLQXFVSA-N 0 0 447.511 -0.066 20 30 IBEDRN CN(C[C@@H](O)CN1CCOCC1)C(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000521416101 1072446360 /nfs/dbraw/zinc/44/63/60/1072446360.db2.gz DRUUXUMUYCIISF-QZTJIDSGSA-N 0 0 447.511 -0.066 20 30 IBEDRN CN(C[C@H](O)CN1CCOCC1)C(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000521416102 1072446340 /nfs/dbraw/zinc/44/63/40/1072446340.db2.gz DRUUXUMUYCIISF-ROUUACIJSA-N 0 0 447.511 -0.066 20 30 IBEDRN CN(C[C@@H](O)CN1CCOCC1)C(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000521416103 1072446349 /nfs/dbraw/zinc/44/63/49/1072446349.db2.gz DRUUXUMUYCIISF-ZWKOTPCHSA-N 0 0 447.511 -0.066 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)Nc2ncn(CC(=O)NCc3ccccc3)n2)C1=O ZINC000521464194 1072448968 /nfs/dbraw/zinc/44/89/68/1072448968.db2.gz ZUERXEQILWPMOO-UHFFFAOYSA-N 0 0 425.405 -0.490 20 30 IBEDRN CN1CCCN(S(=O)(=O)c2cccc(NC(=O)C(=O)N3CCO[C@@H](C#N)C3)c2)CC1 ZINC000521590977 1072454253 /nfs/dbraw/zinc/45/42/53/1072454253.db2.gz ZQFBDRATLZWCMK-INIZCTEOSA-N 0 0 435.506 -0.298 20 30 IBEDRN CN1CCCN(S(=O)(=O)c2cccc(NC(=O)C(=O)N3CCO[C@H](C#N)C3)c2)CC1 ZINC000521590981 1072454501 /nfs/dbraw/zinc/45/45/01/1072454501.db2.gz ZQFBDRATLZWCMK-MRXNPFEDSA-N 0 0 435.506 -0.298 20 30 IBEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c([N+](=O)[O-])c2)c(=O)n1CC(N)=O ZINC000521668566 1072458636 /nfs/dbraw/zinc/45/86/36/1072458636.db2.gz WMLFKSFMYBWWFP-UHFFFAOYSA-N 0 0 443.441 -0.883 20 30 IBEDRN N#CCN1CCN(C(=O)CN(CC(=O)N2CCN(CC#N)CC2)Cc2ccccc2)CC1 ZINC000521686965 1072460580 /nfs/dbraw/zinc/46/05/80/1072460580.db2.gz MXRSXDUNMQSGTF-UHFFFAOYSA-N 0 0 437.548 -0.176 20 30 IBEDRN N#Cc1ccc(S(=O)(=O)NCC(=O)NCCCN2CCN(c3ncccn3)CC2)cc1 ZINC000521695089 1072459875 /nfs/dbraw/zinc/45/98/75/1072459875.db2.gz KEHOUMLEIVKSJL-UHFFFAOYSA-N 0 0 443.533 -0.045 20 30 IBEDRN CN(C)S(=O)(=O)C[C@@H](NC(=O)CNS(=O)(=O)c1cccc(C#N)c1)C(F)(F)F ZINC000521703506 1072461154 /nfs/dbraw/zinc/46/11/54/1072461154.db2.gz VIVSAQPXEPXXAR-GFCCVEGCSA-N 0 0 442.441 -0.225 20 30 IBEDRN CN(C)S(=O)(=O)C[C@H](NC(=O)CNS(=O)(=O)c1cccc(C#N)c1)C(F)(F)F ZINC000521703510 1072461285 /nfs/dbraw/zinc/46/12/85/1072461285.db2.gz VIVSAQPXEPXXAR-LBPRGKRZSA-N 0 0 442.441 -0.225 20 30 IBEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCCCN2C(=O)CNC2=O)CC1 ZINC000521723446 1072462469 /nfs/dbraw/zinc/46/24/69/1072462469.db2.gz QEYGXFIRABHXEE-UHFFFAOYSA-N 0 0 434.478 -0.484 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000521749076 1072462948 /nfs/dbraw/zinc/46/29/48/1072462948.db2.gz ISVBYGRQNNWQPN-UHFFFAOYSA-N 0 0 439.494 -0.290 20 30 IBEDRN Cc1ccc(C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)cc1S(=O)(=O)NCC#N ZINC000521750797 1072463776 /nfs/dbraw/zinc/46/37/76/1072463776.db2.gz KIJIYIMBMOUSMR-UHFFFAOYSA-N 0 0 449.533 -0.587 20 30 IBEDRN CN(CCC#N)S(=O)(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC000521796215 1072466756 /nfs/dbraw/zinc/46/67/56/1072466756.db2.gz DFRYHARKIMADGH-UHFFFAOYSA-N 0 0 443.507 -0.586 20 30 IBEDRN Cc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CC(N)=O)c2=O)cc1F ZINC000521838753 1072470885 /nfs/dbraw/zinc/47/08/85/1072470885.db2.gz AKLXNGNJKLRSJZ-UHFFFAOYSA-N 0 0 430.461 -0.796 20 30 IBEDRN COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1NC(=O)C(=O)NCC1(C#N)CC1 ZINC000522057311 1072492640 /nfs/dbraw/zinc/49/26/40/1072492640.db2.gz PNDJTQYECKGYQX-UHFFFAOYSA-N 0 0 435.506 -0.010 20 30 IBEDRN Cc1ccc(C=c2sc(=C(C#N)C(=O)N3CCSCC3)n(CC(N)=O)c2=O)cc1F ZINC000522116454 1072497054 /nfs/dbraw/zinc/49/70/54/1072497054.db2.gz JDBHKRKZTVBNKL-UHFFFAOYSA-N 0 0 446.529 -0.079 20 30 IBEDRN Cc1cccc(C=c2sc(=C(C#N)C(=O)N3CCSCC3)n(CC(N)=O)c2=O)c1 ZINC000522116457 1072497344 /nfs/dbraw/zinc/49/73/44/1072497344.db2.gz LPLLEVGMYUWUAF-UHFFFAOYSA-N 0 0 428.539 -0.218 20 30 IBEDRN N#CC(C(=O)N1CCSCC1)=c1sc(=Cc2ccc(F)cc2)c(=O)n1CC(N)=O ZINC000522116467 1072497069 /nfs/dbraw/zinc/49/70/69/1072497069.db2.gz PGJRAJHPMPBZEZ-UHFFFAOYSA-N 0 0 432.502 -0.387 20 30 IBEDRN Cc1ccsc1C=c1sc(=C(C#N)C(=O)N2CCSCC2)n(CC(N)=O)c1=O ZINC000522116486 1072497139 /nfs/dbraw/zinc/49/71/39/1072497139.db2.gz XIZOJJXCRGEFAT-UHFFFAOYSA-N 0 0 434.568 -0.157 20 30 IBEDRN COc1cccc(C=c2sc(=C(C#N)C(=O)N3CCSCC3)n(CC(N)=O)c2=O)c1 ZINC000522116495 1072497100 /nfs/dbraw/zinc/49/71/00/1072497100.db2.gz ZGZTVHIQQICYDZ-UHFFFAOYSA-N 0 0 444.538 -0.518 20 30 IBEDRN COCCn1cnc2c1c(=O)n(CC(=O)N(CC#N)CC#N)c(=O)n2Cc1ccccc1 ZINC000522206521 1072511521 /nfs/dbraw/zinc/51/15/21/1072511521.db2.gz FVSAQRYDPJTPMV-UHFFFAOYSA-N 0 0 435.444 -0.070 20 30 IBEDRN N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccc(Br)cn2)c(=O)n1CC(N)=O ZINC000522241516 1072514312 /nfs/dbraw/zinc/51/43/12/1072514312.db2.gz MJUZIWOVOIABRK-UHFFFAOYSA-N 0 0 448.302 -0.666 20 30 IBEDRN CCOCCn1c(=O)c(=Cc2ccc(S(C)(=O)=O)cc2)sc1=C(C#N)C(=O)NC ZINC000522277163 1072518018 /nfs/dbraw/zinc/51/80/18/1072518018.db2.gz XWCMRXFWQVLULM-UHFFFAOYSA-N 0 0 435.527 -0.401 20 30 IBEDRN CNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2C)c(=O)n1CCN1CCOCC1 ZINC000522277857 1072518097 /nfs/dbraw/zinc/51/80/97/1072518097.db2.gz BJBDWBXXMNIDNM-UHFFFAOYSA-N 0 0 430.505 -0.061 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)NCc2ccc([C@]3(C)NC(=O)NC3=O)cc2)CC1 ZINC000522309464 1072519470 /nfs/dbraw/zinc/51/94/70/1072519470.db2.gz OSXUETLPNXCQQF-NRFANRHFSA-N 0 0 428.493 -0.129 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)NCc2ccc([C@@]3(C)NC(=O)NC3=O)cc2)CC1 ZINC000522309465 1072519530 /nfs/dbraw/zinc/51/95/30/1072519530.db2.gz OSXUETLPNXCQQF-OAQYLSRUSA-N 0 0 428.493 -0.129 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)NCC(=O)N2CCN(c3ccccc3)CC2)CC1 ZINC000522309509 1072519608 /nfs/dbraw/zinc/51/96/08/1072519608.db2.gz RIBRMDPDGDKRGK-UHFFFAOYSA-N 0 0 428.537 -0.035 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccncc2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000522536698 1072556913 /nfs/dbraw/zinc/55/69/13/1072556913.db2.gz FOUVVSBWBFSACH-UHFFFAOYSA-N 0 0 449.492 -0.341 20 30 IBEDRN CNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1cc(OC)ccc1OC ZINC000522537140 1072556763 /nfs/dbraw/zinc/55/67/63/1072556763.db2.gz WYUQDDDMISWSHR-UHFFFAOYSA-N 0 0 425.470 -0.101 20 30 IBEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000522537519 1072556673 /nfs/dbraw/zinc/55/66/73/1072556673.db2.gz LBJFNGKJOREGLU-UHFFFAOYSA-N 0 0 436.497 -0.239 20 30 IBEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000522537566 1072556778 /nfs/dbraw/zinc/55/67/78/1072556778.db2.gz LODGUXYVBYUPBV-UHFFFAOYSA-N 0 0 436.497 -0.241 20 30 IBEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCCNC(=O)c2cnccn2)CC1 ZINC000522612697 1072559019 /nfs/dbraw/zinc/55/90/19/1072559019.db2.gz JESWGIUDAASRHQ-UHFFFAOYSA-N 0 0 443.489 -0.206 20 30 IBEDRN CC(=O)NCCNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000522794720 1072574751 /nfs/dbraw/zinc/57/47/51/1072574751.db2.gz QMQZCZRVAJGQEQ-UHFFFAOYSA-N 0 0 435.506 -0.576 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)c2ccc3c(c2)CCN3C(=O)CNC(C)=O)CC1 ZINC000522795662 1072574818 /nfs/dbraw/zinc/57/48/18/1072574818.db2.gz XXYDMZZLWSYZPH-UHFFFAOYSA-N 0 0 427.505 -0.228 20 30 IBEDRN N#CCCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CC(=O)N(CCN3CCOCC3)C2)cc1 ZINC000522858441 1072579731 /nfs/dbraw/zinc/57/97/31/1072579731.db2.gz NZAIBDZHRSMQQL-KRWDZBQOSA-N 0 0 449.533 -0.459 20 30 IBEDRN N#CCCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CC(=O)N(CCN3CCOCC3)C2)cc1 ZINC000522858442 1072579772 /nfs/dbraw/zinc/57/97/72/1072579772.db2.gz NZAIBDZHRSMQQL-QGZVFWFLSA-N 0 0 449.533 -0.459 20 30 IBEDRN C[C@H](Oc1ccccc1C#N)C(=O)N1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000522859590 1072580237 /nfs/dbraw/zinc/58/02/37/1072580237.db2.gz KHCSBYZPGHCLTM-DOTOQJQBSA-N 0 0 434.518 -0.227 20 30 IBEDRN C[C@@H](Oc1ccccc1C#N)C(=O)N1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000522859591 1072580284 /nfs/dbraw/zinc/58/02/84/1072580284.db2.gz KHCSBYZPGHCLTM-NVXWUHKLSA-N 0 0 434.518 -0.227 20 30 IBEDRN C[C@H](Oc1ccccc1C#N)C(=O)N1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC000522859592 1072580319 /nfs/dbraw/zinc/58/03/19/1072580319.db2.gz KHCSBYZPGHCLTM-RDJZCZTQSA-N 0 0 434.518 -0.227 20 30 IBEDRN C[C@@H](Oc1ccccc1C#N)C(=O)N1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC000522859593 1072580417 /nfs/dbraw/zinc/58/04/17/1072580417.db2.gz KHCSBYZPGHCLTM-WBVHZDCISA-N 0 0 434.518 -0.227 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)C1=O ZINC000523003597 1072592125 /nfs/dbraw/zinc/59/21/25/1072592125.db2.gz JGWULKKYIUNTCT-UHFFFAOYSA-N 0 0 444.473 -0.623 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(C(=O)N3CCN(C)CC3)ccc2OC)C1=O ZINC000523025873 1072608868 /nfs/dbraw/zinc/60/88/68/1072608868.db2.gz SGWZBLKCYBFARN-UHFFFAOYSA-N 0 0 443.460 -0.002 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)NCCNS(=O)(=O)c2cccc(Cl)c2)C1=O ZINC000523028706 1072610590 /nfs/dbraw/zinc/61/05/90/1072610590.db2.gz LSCHKWGUFOIHDQ-UHFFFAOYSA-N 0 0 428.854 -0.289 20 30 IBEDRN CCn1cc(-n2c(=O)c(=Cc3ccncc3)sc2=C(C#N)C(=O)N2CCOCC2)cn1 ZINC000523181272 1072640124 /nfs/dbraw/zinc/64/01/24/1072640124.db2.gz FBRMBTLXQPGQFC-UHFFFAOYSA-N 0 0 436.497 -0.128 20 30 IBEDRN CCn1cc(-n2c(=O)c(=Cc3cscn3)sc2=C(C#N)C(=O)NCCOC)cn1 ZINC000523181655 1072639995 /nfs/dbraw/zinc/63/99/95/1072639995.db2.gz XOQFGJAYGFDWAN-UHFFFAOYSA-N 0 0 430.515 -0.162 20 30 IBEDRN CCn1cc(-n2c(=O)c(=Cc3ccnn3C)sc2=C(C#N)C(=O)N2CCOCC2)cn1 ZINC000523182302 1072640497 /nfs/dbraw/zinc/64/04/97/1072640497.db2.gz FIXUFZCBJXTXBW-UHFFFAOYSA-N 0 0 439.501 -0.789 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccco2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000523256519 1072647355 /nfs/dbraw/zinc/64/73/55/1072647355.db2.gz KYOOKSFOIQGXEN-UHFFFAOYSA-N 0 0 438.465 -0.143 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000523256607 1072647205 /nfs/dbraw/zinc/64/72/05/1072647205.db2.gz ODMFPKCQLBGQHO-UHFFFAOYSA-N 0 0 449.492 -0.341 20 30 IBEDRN Cn1nccc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(-c2ccc(C(N)=O)cc2)c1=O ZINC000523258060 1072648017 /nfs/dbraw/zinc/64/80/17/1072648017.db2.gz VFORYTYZSWBFHP-UHFFFAOYSA-N 0 0 434.481 -0.487 20 30 IBEDRN Cn1nccc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(CCN2CCOCC2)c1=O ZINC000523305660 1072651450 /nfs/dbraw/zinc/65/14/50/1072651450.db2.gz SRQABWGILOGGHX-UHFFFAOYSA-N 0 0 427.530 -0.152 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(C(=O)c3cc(OC)cc(OC)c3)CC2)C1=O ZINC000523312877 1072652262 /nfs/dbraw/zinc/65/22/62/1072652262.db2.gz XTFSUJFAERAJNP-UHFFFAOYSA-N 0 0 444.444 -0.035 20 30 IBEDRN N#CCCCS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)cc1 ZINC000523317179 1072652217 /nfs/dbraw/zinc/65/22/17/1072652217.db2.gz OPXMHIGRLHSZDM-UHFFFAOYSA-N 0 0 431.478 -0.265 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000523360167 1072656258 /nfs/dbraw/zinc/65/62/58/1072656258.db2.gz QYSPMOANSXILAW-UHFFFAOYSA-N 0 0 439.494 -0.290 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccc(OCC(=O)N(C)C)c(OC)c2)C1=O ZINC000523378669 1072657384 /nfs/dbraw/zinc/65/73/84/1072657384.db2.gz FUBGNCJXOIWBJB-UHFFFAOYSA-N 0 0 432.433 -0.245 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(C(=O)COc3ccc(F)cc3)CC2)C1=O ZINC000523379326 1072657344 /nfs/dbraw/zinc/65/73/44/1072657344.db2.gz MZHBZFMTRJVPHZ-UHFFFAOYSA-N 0 0 432.408 -0.148 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(C(=O)c3cccc(OC)c3OC)CC2)C1=O ZINC000523379808 1072657280 /nfs/dbraw/zinc/65/72/80/1072657280.db2.gz FWIOMMKVNOTWQW-UHFFFAOYSA-N 0 0 444.444 -0.035 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(C(=O)Cc3cccc(OC)c3)CC2)C1=O ZINC000523382219 1072658179 /nfs/dbraw/zinc/65/81/79/1072658179.db2.gz RMARXABCAZLIEZ-UHFFFAOYSA-N 0 0 428.445 -0.115 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(C(=O)c3ccc(OC)cc3OC)CC2)C1=O ZINC000523383254 1072658124 /nfs/dbraw/zinc/65/81/24/1072658124.db2.gz UVHSNKUFKXZUCA-UHFFFAOYSA-N 0 0 444.444 -0.035 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)C1=O ZINC000523386586 1072658297 /nfs/dbraw/zinc/65/82/97/1072658297.db2.gz RUVXKZRPCNERSF-UHFFFAOYSA-N 0 0 444.444 -0.035 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@@H](C(=O)N3CCOCC3)Oc3ccccc32)C1=O ZINC000523389671 1072658186 /nfs/dbraw/zinc/65/81/86/1072658186.db2.gz XDPSYBAJVLLENM-INIZCTEOSA-N 0 0 442.428 -0.384 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@H](C(=O)N3CCOCC3)Oc3ccccc32)C1=O ZINC000523389672 1072658334 /nfs/dbraw/zinc/65/83/34/1072658334.db2.gz XDPSYBAJVLLENM-MRXNPFEDSA-N 0 0 442.428 -0.384 20 30 IBEDRN CCOCCn1c(=O)c(=Cc2ccnn2C)sc1=C(C#N)C(=O)N1CCN(CC)CC1 ZINC000523463121 1072661069 /nfs/dbraw/zinc/66/10/69/1072661069.db2.gz OLXKJJRJZXXJJV-UHFFFAOYSA-N 0 0 444.561 -0.653 20 30 IBEDRN CCOCCn1c(=O)c(=Cc2ccco2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000523463930 1072660963 /nfs/dbraw/zinc/66/09/63/1072660963.db2.gz AEXJPOHJLMDNHN-UHFFFAOYSA-N 0 0 446.529 -0.509 20 30 IBEDRN CCOCCn1c(=O)c(=Cc2cccc3c2OCO3)sc1=C(C#N)C(=O)NCCOC ZINC000523465346 1072660940 /nfs/dbraw/zinc/66/09/40/1072660940.db2.gz AGYZRVGKJUDQIZ-UHFFFAOYSA-N 0 0 445.497 -0.059 20 30 IBEDRN CCOCCn1c(=O)c(=Cc2ccc(-n3cncn3)c(F)c2)sc1=C(C#N)C(=O)NC ZINC000523476414 1072662022 /nfs/dbraw/zinc/66/20/22/1072662022.db2.gz ODXXWKJAYOEILP-UHFFFAOYSA-N 0 0 442.476 -0.085 20 30 IBEDRN Cc1ccc(C(=O)N2CCC[C@H](CNS(N)(=O)=O)C2)cc1S(=O)(=O)NCC#N ZINC000523529318 1072662692 /nfs/dbraw/zinc/66/26/92/1072662692.db2.gz NFKWQZXKECTQCC-CYBMUJFWSA-N 0 0 429.524 -0.558 20 30 IBEDRN Cc1ccc(C(=O)N2CCC[C@@H](CNS(N)(=O)=O)C2)cc1S(=O)(=O)NCC#N ZINC000523529319 1072662747 /nfs/dbraw/zinc/66/27/47/1072662747.db2.gz NFKWQZXKECTQCC-ZDUSSCGKSA-N 0 0 429.524 -0.558 20 30 IBEDRN CCn1cc(-n2c(=O)c(=Cc3ccnn3C)sc2=C(C#N)C(=O)NCCOC)cn1 ZINC000523576933 1072664586 /nfs/dbraw/zinc/66/45/86/1072664586.db2.gz KMHWUELFXZEGIJ-UHFFFAOYSA-N 0 0 427.490 -0.885 20 30 IBEDRN CCn1cc(-n2c(=O)c(=Cc3cscn3)sc2=C(C#N)C(=O)N2CCOCC2)cn1 ZINC000523577684 1073185851 /nfs/dbraw/zinc/18/58/51/1073185851.db2.gz BGWVIGNSNLJDSO-UHFFFAOYSA-N 0 0 442.526 -0.066 20 30 IBEDRN CCn1cc(-n2c(=O)c(=Cc3ccnn3C)sc2=C(C#N)C(=O)NCCCOC)cn1 ZINC000523581558 1072664652 /nfs/dbraw/zinc/66/46/52/1072664652.db2.gz ZNWARBVYLIQARS-UHFFFAOYSA-N 0 0 441.517 -0.495 20 30 IBEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCCN(C(N)=O)CC2)CC1 ZINC000523612112 1072665173 /nfs/dbraw/zinc/66/51/73/1072665173.db2.gz YJXDOTCBEWSGKZ-UHFFFAOYSA-N 0 0 434.522 -0.522 20 30 IBEDRN CN(CCN1CCCC1=O)CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000523653928 1072668866 /nfs/dbraw/zinc/66/88/66/1072668866.db2.gz KVVXTFUNIKJISO-UHFFFAOYSA-N 0 0 433.534 -0.055 20 30 IBEDRN Cc1ccc(C#N)cc1S(=O)(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000523706505 1072672135 /nfs/dbraw/zinc/67/21/35/1072672135.db2.gz QNLBMBGOJBLPQS-UHFFFAOYSA-N 0 0 427.552 -0.335 20 30 IBEDRN CCn1cc(-n2c(=O)c(=Cc3ccnn3C)sc2=C(C#N)C(=O)N[C@H](C)COC)cn1 ZINC000523860076 1072685780 /nfs/dbraw/zinc/68/57/80/1072685780.db2.gz VTSNQAUEJBVMCF-CYBMUJFWSA-N 0 0 441.517 -0.497 20 30 IBEDRN CCn1cc(-n2c(=O)c(=Cc3ccnn3C)sc2=C(C#N)C(=O)N[C@@H](C)COC)cn1 ZINC000523860079 1072685735 /nfs/dbraw/zinc/68/57/35/1072685735.db2.gz VTSNQAUEJBVMCF-ZDUSSCGKSA-N 0 0 441.517 -0.497 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CCc1ccccn1 ZINC000523862357 1072686287 /nfs/dbraw/zinc/68/62/87/1072686287.db2.gz VUYUWTXXRPLONN-UHFFFAOYSA-N 0 0 438.513 -0.453 20 30 IBEDRN CCn1cc(-n2c(=O)c(=Cc3ccccn3)sc2=C(C#N)C(=O)N2CCOCC2)cn1 ZINC000523864216 1072686417 /nfs/dbraw/zinc/68/64/17/1072686417.db2.gz MHRFNLMASOYKAK-UHFFFAOYSA-N 0 0 436.497 -0.128 20 30 IBEDRN Cn1c(Oc2ccc(C(=O)N3CCN(S(C)(=O)=O)CC3)cc2)c(C#N)c(=O)n(C)c1=O ZINC000523872347 1072686861 /nfs/dbraw/zinc/68/68/61/1072686861.db2.gz BVVCFNFKAUFABI-UHFFFAOYSA-N 0 0 447.473 -0.535 20 30 IBEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)ccc2F)c(=O)n1CC(N)=O ZINC000523970550 1072690246 /nfs/dbraw/zinc/69/02/46/1072690246.db2.gz OLCWQZOSMSANJI-UHFFFAOYSA-N 0 0 446.504 -0.112 20 30 IBEDRN Cc1ccc(F)c(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C)c2=O)c1 ZINC000523971402 1072690271 /nfs/dbraw/zinc/69/02/71/1072690271.db2.gz CFIDJBHGCBPCME-UHFFFAOYSA-N 0 0 430.505 -0.154 20 30 IBEDRN CNC(=O)C(C#N)=c1sc(=Cc2cc(C)ccc2F)c(=O)n1CCN1CCOCC1 ZINC000523971735 1072690216 /nfs/dbraw/zinc/69/02/16/1072690216.db2.gz VXDDEMXBCXWOLS-UHFFFAOYSA-N 0 0 430.505 -0.061 20 30 IBEDRN Cc1ccc(F)c(C=c2sc(=C(C#N)C(=O)N3CCSCC3)n(CC(N)=O)c2=O)c1 ZINC000523972698 1072690345 /nfs/dbraw/zinc/69/03/45/1072690345.db2.gz OSRIIIHOTBDRDE-UHFFFAOYSA-N 0 0 446.529 -0.079 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cc(F)c(F)c(F)c2)c(=O)n1CC(N)=O ZINC000524124464 1072695939 /nfs/dbraw/zinc/69/59/39/1072695939.db2.gz SFXCEWVCHPBIEU-UHFFFAOYSA-N 0 0 440.403 -0.922 20 30 IBEDRN CN1CCN(S(=O)(=O)c2ccccc2CNc2c(C#N)c(=O)n(C)c(=O)n2C)CC1 ZINC000524197125 1072698816 /nfs/dbraw/zinc/69/88/16/1072698816.db2.gz BVSFGSXYYAMLHM-UHFFFAOYSA-N 0 0 432.506 -0.496 20 30 IBEDRN Cc1ccc(F)c(C=c2sc(=C(C#N)C(=O)N3CCS(=O)(=O)CC3)n(C)c2=O)c1 ZINC000524198570 1072698794 /nfs/dbraw/zinc/69/87/94/1072698794.db2.gz WFBJJAOIORTRQB-UHFFFAOYSA-N 0 0 435.502 -0.346 20 30 IBEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)ccc2F)c(=O)n1CC(N)=O ZINC000524198954 1072698903 /nfs/dbraw/zinc/69/89/03/1072698903.db2.gz DYZGXDPZGWDIAZ-UHFFFAOYSA-N 0 0 432.477 -0.502 20 30 IBEDRN C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)CNC(=O)c3ccc(C#N)cc3)CC2)C[C@H](C)O1 ZINC000524276034 1072700923 /nfs/dbraw/zinc/70/09/23/1072700923.db2.gz NEPGBFAGMBJVTK-HOTGVXAUSA-N 0 0 449.533 -0.214 20 30 IBEDRN C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)CNC(=O)c3ccc(C#N)cc3)CC2)C[C@@H](C)O1 ZINC000524276035 1072701016 /nfs/dbraw/zinc/70/10/16/1072701016.db2.gz NEPGBFAGMBJVTK-HZPDHXFCSA-N 0 0 449.533 -0.214 20 30 IBEDRN C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)CNC(=O)c3ccc(C#N)cc3)CC2)C[C@H](C)O1 ZINC000524276036 1072701022 /nfs/dbraw/zinc/70/10/22/1072701022.db2.gz NEPGBFAGMBJVTK-IYBDPMFKSA-N 0 0 449.533 -0.214 20 30 IBEDRN CCOc1cccc(C=c2sc(=C(C#N)C(=O)NCCCOC)n(CC(N)=O)c2=O)c1 ZINC000524280993 1072701551 /nfs/dbraw/zinc/70/15/51/1072701551.db2.gz ADLKAGISNUGYTM-UHFFFAOYSA-N 0 0 444.513 -0.550 20 30 IBEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2C)c(=O)n1CCNS(C)(=O)=O ZINC000524281007 1072701545 /nfs/dbraw/zinc/70/15/45/1072701545.db2.gz ANQBXFKXHOWCJM-UHFFFAOYSA-N 0 0 448.570 -0.203 20 30 IBEDRN CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1CC(N)=O ZINC000524281014 1072701369 /nfs/dbraw/zinc/70/13/69/1072701369.db2.gz BCUUIMITVWINQZ-UHFFFAOYSA-N 0 0 429.458 -0.421 20 30 IBEDRN N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccccc2OC(F)F)c(=O)n1CC(N)=O ZINC000524281098 1072701559 /nfs/dbraw/zinc/70/15/59/1072701559.db2.gz GGWXCNFLSWVAKB-UHFFFAOYSA-N 0 0 434.424 -0.222 20 30 IBEDRN CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1CC(N)=O ZINC000524281125 1072701482 /nfs/dbraw/zinc/70/14/82/1072701482.db2.gz HWIAEHDMTDPFFP-UHFFFAOYSA-N 0 0 429.458 -0.421 20 30 IBEDRN COC(=O)c1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CC(N)=O)c2=O)cc1 ZINC000524281129 1072701410 /nfs/dbraw/zinc/70/14/10/1072701410.db2.gz IBFWMGNOQWVLCR-UHFFFAOYSA-N 0 0 428.470 -0.791 20 30 IBEDRN N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccc(Br)cc2)c(=O)n1CC(N)=O ZINC000524281166 1072701522 /nfs/dbraw/zinc/70/15/22/1072701522.db2.gz JQAIVYBLFBAGHM-UHFFFAOYSA-N 0 0 447.314 -0.061 20 30 IBEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC(F)F)c2)c(=O)n1CC(N)=O ZINC000524281223 1072701487 /nfs/dbraw/zinc/70/14/87/1072701487.db2.gz MOHBKDGXTHOMDO-UHFFFAOYSA-N 0 0 434.424 -0.198 20 30 IBEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2F)c(=O)n1CC(N)=O ZINC000524281342 1072702035 /nfs/dbraw/zinc/70/20/35/1072702035.db2.gz RIDDGJLZQLWJDK-UHFFFAOYSA-N 0 0 432.477 -0.420 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)c(F)c2)c(=O)n1CC(N)=O ZINC000524281344 1072701875 /nfs/dbraw/zinc/70/18/75/1072701875.db2.gz RIUIGMRSAKCVPT-UHFFFAOYSA-N 0 0 438.868 -0.547 20 30 IBEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccc(F)c(F)c2)c(=O)n1CC(N)=O ZINC000524281345 1072702486 /nfs/dbraw/zinc/70/24/86/1072702486.db2.gz RIZLRRYBJZGLPO-UHFFFAOYSA-N 0 0 434.424 -0.965 20 30 IBEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(F)c2)c(=O)n1CC(N)=O ZINC000524281358 1072702272 /nfs/dbraw/zinc/70/22/72/1072702272.db2.gz RZFLJLRJENNPNF-UHFFFAOYSA-N 0 0 432.477 -0.038 20 30 IBEDRN COc1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CC(N)=O)c2=O)ccc1SC ZINC000524281379 1072702533 /nfs/dbraw/zinc/70/25/33/1072702533.db2.gz SWXFCXSKBHQQPB-UHFFFAOYSA-N 0 0 444.538 -0.093 20 30 IBEDRN COCCOc1cccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CC(N)=O)c2=O)c1 ZINC000524281394 1072702369 /nfs/dbraw/zinc/70/23/69/1072702369.db2.gz UTFAGTKCSLYSIC-UHFFFAOYSA-N 0 0 442.497 -0.798 20 30 IBEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2)c(=O)n1CC(N)=O ZINC000524281415 1072702327 /nfs/dbraw/zinc/70/23/27/1072702327.db2.gz VXNCOWHDFADPPB-UHFFFAOYSA-N 0 0 432.477 -0.420 20 30 IBEDRN COc1c(C)cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CC(N)=O)c2=O)cc1C ZINC000524281438 1072702300 /nfs/dbraw/zinc/70/23/00/1072702300.db2.gz XEHYFAAARPMORE-UHFFFAOYSA-N 0 0 426.498 -0.198 20 30 IBEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2C)c(=O)n1CC(N)=O ZINC000524281449 1072702518 /nfs/dbraw/zinc/70/25/18/1072702518.db2.gz XUKPZKUOTNYCPR-UHFFFAOYSA-N 0 0 428.514 -0.332 20 30 IBEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2C)c(=O)n1CC(N)=O ZINC000524281455 1072702405 /nfs/dbraw/zinc/70/24/05/1072702405.db2.gz YGLIBYLUXXBFCN-UHFFFAOYSA-N 0 0 446.504 -0.112 20 30 IBEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)s2)c(=O)n1CC(N)=O ZINC000524281812 1072701969 /nfs/dbraw/zinc/70/19/69/1072701969.db2.gz AMABKRUWIMSPTE-UHFFFAOYSA-N 0 0 440.934 -0.234 20 30 IBEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2C)c(=O)n1CC(N)=O ZINC000524281826 1072701961 /nfs/dbraw/zinc/70/19/61/1072701961.db2.gz BQOIVXIBAKLDOU-UHFFFAOYSA-N 0 0 432.477 -0.502 20 30 IBEDRN N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1CC(N)=O ZINC000524281833 1072702058 /nfs/dbraw/zinc/70/20/58/1072702058.db2.gz CAVWNXIFLUBMDY-UHFFFAOYSA-N 0 0 427.442 -0.571 20 30 IBEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2F)c(=O)n1CC(N)=O ZINC000524281886 1072701865 /nfs/dbraw/zinc/70/18/65/1072701865.db2.gz FGUINEJGWMIWBY-UHFFFAOYSA-N 0 0 436.440 -0.671 20 30 IBEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2Cl)c(=O)n1CC(N)=O ZINC000524281902 1072701979 /nfs/dbraw/zinc/70/19/79/1072701979.db2.gz GCAIXRRWCPWQAZ-UHFFFAOYSA-N 0 0 432.889 -0.138 20 30 IBEDRN CCCOc1cccc(C=c2sc(=C(C#N)C(=O)NCCOC)n(CC(N)=O)c2=O)c1 ZINC000524281910 1072701944 /nfs/dbraw/zinc/70/19/44/1072701944.db2.gz GRTJLFPGSLLEMV-UHFFFAOYSA-N 0 0 444.513 -0.550 20 30 IBEDRN CS(=O)(=O)NCCn1c(=O)c(=Cc2ccccc2)sc1=C(C#N)C(=O)NC1CC1 ZINC000524281960 1072702050 /nfs/dbraw/zinc/70/20/50/1072702050.db2.gz IJCFFXQZCXLGHL-UHFFFAOYSA-N 0 0 432.527 -0.759 20 30 IBEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccc(Cl)s2)c(=O)n1CC(N)=O ZINC000524281968 1072701997 /nfs/dbraw/zinc/70/19/97/1072701997.db2.gz IWGQXBWXDSSLKY-UHFFFAOYSA-N 0 0 438.918 -0.528 20 30 IBEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2)c(=O)n1CC(N)=O ZINC000524282037 1072701899 /nfs/dbraw/zinc/70/18/99/1072701899.db2.gz NFYZDNGUXWAISR-UHFFFAOYSA-N 0 0 444.513 -0.550 20 30 IBEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(Cl)c2)c(=O)n1CC(N)=O ZINC000524282041 1072701932 /nfs/dbraw/zinc/70/19/32/1072701932.db2.gz NJWMEASPRGHDRN-UHFFFAOYSA-N 0 0 434.905 -0.296 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)c(C)cc2C)c(=O)n1CC(N)=O ZINC000524282049 1072701988 /nfs/dbraw/zinc/70/19/88/1072701988.db2.gz NWXMJJGVXXQCGC-UHFFFAOYSA-N 0 0 428.514 -0.414 20 30 IBEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1CC(N)=O ZINC000524282051 1072701910 /nfs/dbraw/zinc/70/19/10/1072701910.db2.gz NZMNMVDMHXOVKI-UHFFFAOYSA-N 0 0 429.458 -0.277 20 30 IBEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2)c(=O)n1CCNS(C)(=O)=O ZINC000524282085 1072701428 /nfs/dbraw/zinc/70/14/28/1072701428.db2.gz PCTDJLQXCNNSPM-UHFFFAOYSA-N 0 0 448.570 -0.203 20 30 IBEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)c(C)cc2C)c(=O)n1CC(N)=O ZINC000524282095 1072701514 /nfs/dbraw/zinc/70/15/14/1072701514.db2.gz PHULHRCSQRCUHZ-UHFFFAOYSA-N 0 0 442.541 -0.024 20 30 IBEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cccc(C)c3)c(=O)n2CC(N)=O)CC1 ZINC000524282113 1072701441 /nfs/dbraw/zinc/70/14/41/1072701441.db2.gz QKZCPYVDQMPRFE-UHFFFAOYSA-N 0 0 439.541 -0.629 20 30 IBEDRN CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1CCNS(C)(=O)=O ZINC000524282145 1072701464 /nfs/dbraw/zinc/70/14/64/1072701464.db2.gz SGSTVURFQNPWTA-UHFFFAOYSA-N 0 0 448.570 -0.266 20 30 IBEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cc3c(c(Cl)c2)OCO3)c(=O)n1CC(N)=O ZINC000524282150 1072701499 /nfs/dbraw/zinc/70/14/99/1072701499.db2.gz SNVSZKZDZNVTJT-UHFFFAOYSA-N 0 0 448.888 -0.194 20 30 IBEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC(F)F)cc2)c(=O)n1CC(N)=O ZINC000524282164 1072701567 /nfs/dbraw/zinc/70/15/67/1072701567.db2.gz TVNPVHQWYJWCLF-UHFFFAOYSA-N 0 0 434.424 -0.198 20 30 IBEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(C)cc3)c(=O)n2CC(N)=O)CC1 ZINC000524282194 1072701530 /nfs/dbraw/zinc/70/15/30/1072701530.db2.gz VMRYISKAEILUDD-UHFFFAOYSA-N 0 0 439.541 -0.629 20 30 IBEDRN CC(C)C(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1CC(N)=O ZINC000524282637 1072700399 /nfs/dbraw/zinc/70/03/99/1072700399.db2.gz AXUKQVPVOAEQDI-UHFFFAOYSA-N 0 0 433.511 -0.473 20 30 IBEDRN N#CC(C(=O)NC1CC1)=c1sc(=Cc2cc3c(c(Cl)c2)OCO3)c(=O)n1CC(N)=O ZINC000524282665 1072702420 /nfs/dbraw/zinc/70/24/20/1072702420.db2.gz DKMDITIMZYPAPW-UHFFFAOYSA-N 0 0 446.872 -0.441 20 30 IBEDRN CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1CC(N)=O ZINC000524282668 1072702338 /nfs/dbraw/zinc/70/23/38/1072702338.db2.gz DOIKNAILICKSSI-GFCCVEGCSA-N 0 0 447.538 -0.083 20 30 IBEDRN CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1CC(N)=O ZINC000524282669 1072702283 /nfs/dbraw/zinc/70/22/83/1072702283.db2.gz DOIKNAILICKSSI-LBPRGKRZSA-N 0 0 447.538 -0.083 20 30 IBEDRN CCc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CC(N)=O)c2=O)cc1 ZINC000524282675 1072702448 /nfs/dbraw/zinc/70/24/48/1072702448.db2.gz DWWRMMHDUVHJLF-UHFFFAOYSA-N 0 0 426.498 -0.681 20 30 IBEDRN CS(=O)(=O)NCCn1c(=O)c(=Cc2ccccn2)sc1=C(C#N)C(=O)C1CCC1 ZINC000524282741 1072702312 /nfs/dbraw/zinc/70/23/12/1072702312.db2.gz IQQFSQSHFDTLSO-UHFFFAOYSA-N 0 0 432.527 -0.274 20 30 IBEDRN CCc1ccc(C=c2sc(=C(C#N)C(=O)NCCCOC)n(CC(N)=O)c2=O)cc1 ZINC000524282787 1072702352 /nfs/dbraw/zinc/70/23/52/1072702352.db2.gz KVGMCNJSIRGJPR-UHFFFAOYSA-N 0 0 428.514 -0.387 20 30 IBEDRN N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1CC(N)=O ZINC000524282861 1072702505 /nfs/dbraw/zinc/70/25/05/1072702505.db2.gz OYZNKNQRYDBWLD-UHFFFAOYSA-N 0 0 441.469 -0.135 20 30 IBEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2Br)c(=O)n1CC(N)=O ZINC000524282870 1072702524 /nfs/dbraw/zinc/70/25/24/1072702524.db2.gz PNQHPMRTYZRDHQ-UHFFFAOYSA-N 0 0 447.314 -0.037 20 30 IBEDRN N#CC(C(=O)c1ccc2c(c1)OCO2)=c1sc(=Cc2ccccn2)c(=O)n1CC(N)=O ZINC000524282989 1072702468 /nfs/dbraw/zinc/70/24/68/1072702468.db2.gz XKQVLHHZAJPHCQ-UHFFFAOYSA-N 0 0 434.433 -0.095 20 30 IBEDRN N#Cc1cnn(-c2ccc(C(=O)N3CCN(C(=O)C(=O)N4CCOCC4)CC3)cc2)c1N ZINC000524296677 1072702384 /nfs/dbraw/zinc/70/23/84/1072702384.db2.gz DAOVHYHEILVGCM-UHFFFAOYSA-N 0 0 437.460 -0.531 20 30 IBEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(Br)cn2)c(=O)n1CC(N)=O ZINC000524344191 1072705058 /nfs/dbraw/zinc/70/50/58/1072705058.db2.gz SHXKDSUBULOKAU-UHFFFAOYSA-N 0 0 448.302 -0.642 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)NCc2cccnc2N2CCC(C(N)=O)CC2)CC1 ZINC000524463680 1072709241 /nfs/dbraw/zinc/70/92/41/1072709241.db2.gz PMJDQXRTOSRANX-UHFFFAOYSA-N 0 0 443.552 -0.087 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(NS(=O)(=O)c3cccs3)CC2)C1=O ZINC000524476912 1072709649 /nfs/dbraw/zinc/70/96/49/1072709649.db2.gz KCNRBLAEHHIISS-UHFFFAOYSA-N 0 0 440.503 -0.006 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)CC1 ZINC000524494402 1072710790 /nfs/dbraw/zinc/71/07/90/1072710790.db2.gz CFYKHDKAYVBLAI-UHFFFAOYSA-N 0 0 442.520 -0.612 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)CC1 ZINC000524517593 1072712376 /nfs/dbraw/zinc/71/23/76/1072712376.db2.gz NOLFCDRLMLLJCG-UHFFFAOYSA-N 0 0 444.540 -0.855 20 30 IBEDRN Cc1cc(C#N)ccc1S(=O)(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000524618201 1072717713 /nfs/dbraw/zinc/71/77/13/1072717713.db2.gz OZTBZHIIKNNVJW-UHFFFAOYSA-N 0 0 427.552 -0.335 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccc(S(=O)(=O)NCCOC)cc2)C1=O ZINC000524652207 1072719585 /nfs/dbraw/zinc/71/95/85/1072719585.db2.gz QPLXPKPOWLUDMK-UHFFFAOYSA-N 0 0 438.462 -0.796 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)NCCC(=O)N2CCN(c3ccc(F)cc3)CC2)C1=O ZINC000524707300 1072721568 /nfs/dbraw/zinc/72/15/68/1072721568.db2.gz IJLFRGOHGOYTDG-UHFFFAOYSA-N 0 0 445.451 -0.043 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccc(C(=O)N3CCN(C)CC3)cc2)C1=O ZINC000524707610 1072721084 /nfs/dbraw/zinc/72/10/84/1072721084.db2.gz ZRCYDZXCDNSNJC-UHFFFAOYSA-N 0 0 427.461 -0.333 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(CC(=O)N3CCc4ccccc43)CC2)C1=O ZINC000524708120 1072721443 /nfs/dbraw/zinc/72/14/43/1072721443.db2.gz XCFCHFVGNAJWAD-UHFFFAOYSA-N 0 0 439.472 -0.303 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2CCCN(S(=O)(=O)c3ccccc3)CC2)C1=O ZINC000524709225 1072721430 /nfs/dbraw/zinc/72/14/30/1072721430.db2.gz VTMYMKZCYMTDAQ-UHFFFAOYSA-N 0 0 434.474 -0.114 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(CC(=O)NCC(=O)OC)cc2)CC1 ZINC000524856866 1072725729 /nfs/dbraw/zinc/72/57/29/1072725729.db2.gz UBGFTXPHXYDAAS-UHFFFAOYSA-N 0 0 431.493 -0.030 20 30 IBEDRN CS(=O)(=O)CCCS(=O)(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000524891559 1072727054 /nfs/dbraw/zinc/72/70/54/1072727054.db2.gz USFBTFZFECCTJL-UHFFFAOYSA-N 0 0 435.549 -0.371 20 30 IBEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(COC)cc2)c(=O)n1CC(N)=O ZINC000525173255 1072740550 /nfs/dbraw/zinc/74/05/50/1072740550.db2.gz BMQSVSXGUCPXQJ-UHFFFAOYSA-N 0 0 444.513 -0.803 20 30 IBEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(C#N)c2)c(=O)n1CC(N)=O ZINC000525173302 1072740600 /nfs/dbraw/zinc/74/06/00/1072740600.db2.gz SFDIQEFLEBAFLX-UHFFFAOYSA-N 0 0 425.470 -0.695 20 30 IBEDRN COCc1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CC(N)=O)c2=O)cc1 ZINC000525173402 1072740650 /nfs/dbraw/zinc/74/06/50/1072740650.db2.gz WIWQJHDGNBBIDE-UHFFFAOYSA-N 0 0 426.498 -0.333 20 30 IBEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CC(N)=O)c2=O)cc1C#N ZINC000525173588 1072740533 /nfs/dbraw/zinc/74/05/33/1072740533.db2.gz FFVRKHXHYZMPTC-UHFFFAOYSA-N 0 0 439.497 -0.449 20 30 IBEDRN CCOCCn1c(=O)c(=Cc2ccc(C#N)o2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000525263454 1072744318 /nfs/dbraw/zinc/74/43/18/1072744318.db2.gz QTYPPFHMZOHROX-UHFFFAOYSA-N 0 0 428.470 -0.227 20 30 IBEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(COC)c2)c(=O)n1CC(N)=O ZINC000525265705 1072744167 /nfs/dbraw/zinc/74/41/67/1072744167.db2.gz RGFSOJXVJKQMCD-UHFFFAOYSA-N 0 0 428.514 -0.039 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)Nc2cnn(CC(=O)N3C[C@@H](C)O[C@@H](C)C3)c2)C1=O ZINC000525598584 1072760861 /nfs/dbraw/zinc/76/08/61/1072760861.db2.gz UHNVNWPASFNEGW-BETUJISGSA-N 0 0 432.437 -0.566 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)Nc2cnn(CC(=O)N3C[C@@H](C)O[C@H](C)C3)c2)C1=O ZINC000525598585 1072760738 /nfs/dbraw/zinc/76/07/38/1072760738.db2.gz UHNVNWPASFNEGW-CHWSQXEVSA-N 0 0 432.437 -0.566 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)Nc2cnn(CC(=O)N3C[C@H](C)O[C@@H](C)C3)c2)C1=O ZINC000525598586 1072760783 /nfs/dbraw/zinc/76/07/83/1072760783.db2.gz UHNVNWPASFNEGW-STQMWFEESA-N 0 0 432.437 -0.566 20 30 IBEDRN COCc1ccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CC(N)=O)c2=O)cc1 ZINC000525686785 1072770277 /nfs/dbraw/zinc/77/02/77/1072770277.db2.gz DJRLMWHDTJZDPZ-UHFFFAOYSA-N 0 0 428.514 -0.183 20 30 IBEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OCC(F)F)cc2)c(=O)n1CC(N)=O ZINC000525686891 1072770210 /nfs/dbraw/zinc/77/02/10/1072770210.db2.gz JTTXBZFNZIADDH-UHFFFAOYSA-N 0 0 448.451 -0.156 20 30 IBEDRN N#CC(C(=O)c1ccc2c(c1)OCO2)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1CC(N)=O ZINC000525778118 1072773318 /nfs/dbraw/zinc/77/33/18/1072773318.db2.gz PODQNFCBLAGRHF-UHFFFAOYSA-N 0 0 448.416 -0.026 20 30 IBEDRN N#CC1(NC(=O)CN2CCN(S(=O)(=O)c3ccc(S(N)(=O)=O)cc3)CC2)CCC1 ZINC000525893702 1072780371 /nfs/dbraw/zinc/78/03/71/1072780371.db2.gz BZQGHQORKOOQTA-UHFFFAOYSA-N 0 0 441.535 -0.797 20 30 IBEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccc(C(F)F)cc2)c(=O)n1CC(N)=O ZINC000526038011 1072784028 /nfs/dbraw/zinc/78/40/28/1072784028.db2.gz UGHVLAJCDLDBDZ-UHFFFAOYSA-N 0 0 448.451 -0.305 20 30 IBEDRN CCOc1cccc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCCOC3)n(CC(N)=O)c2=O)n1 ZINC000526038076 1072783947 /nfs/dbraw/zinc/78/39/47/1072783947.db2.gz SHCLOIZXXWGIJJ-CYBMUJFWSA-N 0 0 442.497 -0.312 20 30 IBEDRN CCOc1cccc(C=c2sc(=C(C#N)C(=O)[C@H]3CCCOC3)n(CC(N)=O)c2=O)n1 ZINC000526038077 1072784147 /nfs/dbraw/zinc/78/41/47/1072784147.db2.gz SHCLOIZXXWGIJJ-ZDUSSCGKSA-N 0 0 442.497 -0.312 20 30 IBEDRN COc1cc(C)nc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCCOC3)n(CC(N)=O)c2=O)c1 ZINC000526038114 1072784034 /nfs/dbraw/zinc/78/40/34/1072784034.db2.gz DNTPJEQJPMCRME-CYBMUJFWSA-N 0 0 442.497 -0.394 20 30 IBEDRN COc1cc(C)nc(C=c2sc(=C(C#N)C(=O)[C@H]3CCCOC3)n(CC(N)=O)c2=O)c1 ZINC000526038115 1072784010 /nfs/dbraw/zinc/78/40/10/1072784010.db2.gz DNTPJEQJPMCRME-ZDUSSCGKSA-N 0 0 442.497 -0.394 20 30 IBEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)[C@H]3CCCOC3)n(CC(N)=O)c2=O)cc1 ZINC000526038202 1072784061 /nfs/dbraw/zinc/78/40/61/1072784061.db2.gz GORQXVLLCCUOKQ-AWEZNQCLSA-N 0 0 427.482 -0.098 20 30 IBEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCCOC3)n(CC(N)=O)c2=O)cc1 ZINC000526038203 1072784094 /nfs/dbraw/zinc/78/40/94/1072784094.db2.gz GORQXVLLCCUOKQ-CQSZACIVSA-N 0 0 427.482 -0.098 20 30 IBEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccnn2-c2ccccc2C)c(=O)n1CC(N)=O ZINC000526038352 1072784127 /nfs/dbraw/zinc/78/41/27/1072784127.db2.gz MXHSYCCKDVBYKV-UHFFFAOYSA-N 0 0 448.508 -0.306 20 30 IBEDRN CNC(=O)[C@@H]1CN(C(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)c2ccccc2O1 ZINC000526097873 1073359569 /nfs/dbraw/zinc/35/95/69/1073359569.db2.gz WGMAORUXHMGOQO-INIZCTEOSA-N 0 0 425.449 -0.205 20 30 IBEDRN CNC(=O)[C@H]1CN(C(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)c2ccccc2O1 ZINC000526097874 1073359521 /nfs/dbraw/zinc/35/95/21/1073359521.db2.gz WGMAORUXHMGOQO-MRXNPFEDSA-N 0 0 425.449 -0.205 20 30 IBEDRN CN(C)C(=O)[C@@H]1CN(CC(=O)NC2(C#N)CCC2)CCN1CC(=O)NC1(C#N)CCC1 ZINC000526135115 1072787443 /nfs/dbraw/zinc/78/74/43/1072787443.db2.gz FPBNHTVFMDZFEC-INIZCTEOSA-N 0 0 429.525 -0.814 20 30 IBEDRN CN(C)C(=O)[C@H]1CN(CC(=O)NC2(C#N)CCC2)CCN1CC(=O)NC1(C#N)CCC1 ZINC000526135116 1072787504 /nfs/dbraw/zinc/78/75/04/1072787504.db2.gz FPBNHTVFMDZFEC-MRXNPFEDSA-N 0 0 429.525 -0.814 20 30 IBEDRN CNC(=O)C(C#N)=c1sc(=Cc2ccnn2C(C)C)c(=O)n1CCN1CCOCC1 ZINC000527027914 1072797674 /nfs/dbraw/zinc/79/76/74/1072797674.db2.gz ZOQGBBAIQQUWHK-UHFFFAOYSA-N 0 0 430.534 -0.732 20 30 IBEDRN CC(C)n1nccc1C=c1sc(=C(C#N)C(=O)N2CCSCC2)n(CC(N)=O)c1=O ZINC000527030288 1072795613 /nfs/dbraw/zinc/79/56/13/1072795613.db2.gz RCJDULCJRIBZRQ-UHFFFAOYSA-N 0 0 446.558 -0.749 20 30 IBEDRN CC(C)n1nccc1C=c1sc(=C(C#N)C(=O)NC2CCCC2)n(CC(N)=O)c1=O ZINC000527030294 1072795398 /nfs/dbraw/zinc/79/53/98/1072795398.db2.gz RYMFMCOJRWYCMV-UHFFFAOYSA-N 0 0 428.518 -0.266 20 30 IBEDRN N#CC(C(=O)[C@H]1CCCOC1)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1CC(N)=O ZINC000527030462 1072795692 /nfs/dbraw/zinc/79/56/92/1072795692.db2.gz PXMCLJDYWXTHEL-HNNXBMFYSA-N 0 0 439.493 -0.171 20 30 IBEDRN N#CC(C(=O)[C@@H]1CCCOC1)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1CC(N)=O ZINC000527030466 1072795434 /nfs/dbraw/zinc/79/54/34/1072795434.db2.gz PXMCLJDYWXTHEL-OAHLLOKOSA-N 0 0 439.493 -0.171 20 30 IBEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCCOC3)n(CC(N)=O)c2=O)s1 ZINC000527030492 1072795411 /nfs/dbraw/zinc/79/54/11/1072795411.db2.gz IYWMTINARSGQDG-LLVKDONJSA-N 0 0 433.511 -0.036 20 30 IBEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)[C@H]3CCCOC3)n(CC(N)=O)c2=O)s1 ZINC000527030494 1072795555 /nfs/dbraw/zinc/79/55/55/1072795555.db2.gz IYWMTINARSGQDG-NSHDSACASA-N 0 0 433.511 -0.036 20 30 IBEDRN CCOCCn1c(=O)c(=Cc2ccnn2C(C)C)sc1=C(C#N)C(=O)NCCOC ZINC000527030547 1072795630 /nfs/dbraw/zinc/79/56/30/1072795630.db2.gz LZJRGGGOJYBVBJ-UHFFFAOYSA-N 0 0 433.534 -0.011 20 30 IBEDRN COc1ccccc1C=c1sc(=C(C#N)C(=O)[C@H]2CCCOC2)n(CC(N)=O)c1=O ZINC000527030622 1072794758 /nfs/dbraw/zinc/79/47/58/1072794758.db2.gz ZSVREDCDQHHOEW-AWEZNQCLSA-N 0 0 427.482 -0.098 20 30 IBEDRN COc1ccccc1C=c1sc(=C(C#N)C(=O)[C@@H]2CCCOC2)n(CC(N)=O)c1=O ZINC000527030624 1072795001 /nfs/dbraw/zinc/79/50/01/1072795001.db2.gz ZSVREDCDQHHOEW-CQSZACIVSA-N 0 0 427.482 -0.098 20 30 IBEDRN COc1cccc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCCOC3)n(CC(N)=O)c2=O)n1 ZINC000527030667 1072794910 /nfs/dbraw/zinc/79/49/10/1072794910.db2.gz HOKJUTHAWRQLSY-GFCCVEGCSA-N 0 0 428.470 -0.703 20 30 IBEDRN COc1cccc(C=c2sc(=C(C#N)C(=O)[C@H]3CCCOC3)n(CC(N)=O)c2=O)n1 ZINC000527030668 1072794919 /nfs/dbraw/zinc/79/49/19/1072794919.db2.gz HOKJUTHAWRQLSY-LBPRGKRZSA-N 0 0 428.470 -0.703 20 30 IBEDRN N#CCCN(CCN1CCOCC1)C(=O)C(=O)Nc1ccc(CN2C(=O)CNC2=O)cc1 ZINC000527085649 1072799407 /nfs/dbraw/zinc/79/94/07/1072799407.db2.gz ZSPPKDGLLSAYML-UHFFFAOYSA-N 0 0 442.476 -0.249 20 30 IBEDRN N#CC1(NC(=O)CN2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)CCC1 ZINC000527128669 1072800571 /nfs/dbraw/zinc/80/05/71/1072800571.db2.gz QNYINWHEUVMOSR-UHFFFAOYSA-N 0 0 433.490 -0.114 20 30 IBEDRN CC(C)n1nccc1C=c1sc(=C(C#N)C(=O)[C@@H]2CCCOC2)n(CC(N)=O)c1=O ZINC000527279714 1072802878 /nfs/dbraw/zinc/80/28/78/1072802878.db2.gz LZHQKMFTCHRRDF-CYBMUJFWSA-N 0 0 429.502 -0.329 20 30 IBEDRN CC(C)n1nccc1C=c1sc(=C(C#N)C(=O)[C@H]2CCCOC2)n(CC(N)=O)c1=O ZINC000527279715 1072802937 /nfs/dbraw/zinc/80/29/37/1072802937.db2.gz LZHQKMFTCHRRDF-ZDUSSCGKSA-N 0 0 429.502 -0.329 20 30 IBEDRN COc1cccc(C=c2sc(=C(C#N)C(=O)[C@H]3CCCOC3)n(CC(N)=O)c2=O)c1 ZINC000527279866 1072802858 /nfs/dbraw/zinc/80/28/58/1072802858.db2.gz LKFJMDRDBQDXGA-AWEZNQCLSA-N 0 0 427.482 -0.098 20 30 IBEDRN COc1cccc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCCOC3)n(CC(N)=O)c2=O)c1 ZINC000527279867 1072802736 /nfs/dbraw/zinc/80/27/36/1072802736.db2.gz LKFJMDRDBQDXGA-CQSZACIVSA-N 0 0 427.482 -0.098 20 30 IBEDRN COc1ccsc1C=c1sc(=C(C#N)C(=O)[C@@H]2CCCOC2)n(CC(N)=O)c1=O ZINC000527279893 1072802828 /nfs/dbraw/zinc/80/28/28/1072802828.db2.gz RREGUYFXXGHMLE-LLVKDONJSA-N 0 0 433.511 -0.036 20 30 IBEDRN COc1ccsc1C=c1sc(=C(C#N)C(=O)[C@H]2CCCOC2)n(CC(N)=O)c1=O ZINC000527279894 1072802914 /nfs/dbraw/zinc/80/29/14/1072802914.db2.gz RREGUYFXXGHMLE-NSHDSACASA-N 0 0 433.511 -0.036 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(F)F)cc2)c(=O)n1CC(N)=O ZINC000527280041 1072803026 /nfs/dbraw/zinc/80/30/26/1072803026.db2.gz LLNAHQOABQTMHP-UHFFFAOYSA-N 0 0 436.440 -0.402 20 30 IBEDRN C[C@H]1CS(=O)(=O)CCN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000527505264 1072809359 /nfs/dbraw/zinc/80/93/59/1072809359.db2.gz XFAJFPXVZCJHNB-HNNXBMFYSA-N 0 0 440.547 -0.490 20 30 IBEDRN C[C@@H]1CS(=O)(=O)CCN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000527505265 1072809392 /nfs/dbraw/zinc/80/93/92/1072809392.db2.gz XFAJFPXVZCJHNB-OAHLLOKOSA-N 0 0 440.547 -0.490 20 30 IBEDRN N#CC(C(=O)[C@@H]1CCCOC1)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1CC(N)=O ZINC000530317729 1072824630 /nfs/dbraw/zinc/82/46/30/1072824630.db2.gz JFQUOIIQOYPIBS-CYBMUJFWSA-N 0 0 442.453 -0.198 20 30 IBEDRN N#CC(C(=O)[C@H]1CCCOC1)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1CC(N)=O ZINC000530317730 1072824610 /nfs/dbraw/zinc/82/46/10/1072824610.db2.gz JFQUOIIQOYPIBS-ZDUSSCGKSA-N 0 0 442.453 -0.198 20 30 IBEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C(C)C)c(=O)n1CC(N)=O ZINC000530317930 1072824621 /nfs/dbraw/zinc/82/46/21/1072824621.db2.gz QGOGJYQLYBKART-UHFFFAOYSA-N 0 0 446.533 -0.782 20 30 IBEDRN N#CC(C(=O)[C@@H]1CCCOC1)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1CC(N)=O ZINC000530318027 1072824185 /nfs/dbraw/zinc/82/41/85/1072824185.db2.gz NDQKVHDMKSZXMF-GFCCVEGCSA-N 0 0 428.495 -0.173 20 30 IBEDRN N#CC(C(=O)[C@H]1CCCOC1)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1CC(N)=O ZINC000530318028 1072824150 /nfs/dbraw/zinc/82/41/50/1072824150.db2.gz NDQKVHDMKSZXMF-LBPRGKRZSA-N 0 0 428.495 -0.173 20 30 IBEDRN N#CC(C(=O)[C@H]1CCCOC1)=c1sc(=Cc2ccc([N+](=O)[O-])s2)c(=O)n1CC(N)=O ZINC000530318039 1072824741 /nfs/dbraw/zinc/82/47/41/1072824741.db2.gz QVVDWVOPZVALBG-JTQLQIEISA-N 0 0 448.482 -0.136 20 30 IBEDRN N#CC(C(=O)[C@@H]1CCCOC1)=c1sc(=Cc2ccc([N+](=O)[O-])s2)c(=O)n1CC(N)=O ZINC000530318040 1072824770 /nfs/dbraw/zinc/82/47/70/1072824770.db2.gz QVVDWVOPZVALBG-SNVBAGLBSA-N 0 0 448.482 -0.136 20 30 IBEDRN C=CCn1c2nnc(SCC(=O)N3CC[C@@](O)(C(N)=O)C3)n2c2ccccc2c1=O ZINC000530544013 1072826719 /nfs/dbraw/zinc/82/67/19/1072826719.db2.gz NIYZVUKVUYSZHN-IBGZPJMESA-N 0 0 428.474 -0.229 20 30 IBEDRN C=CCn1c2nnc(SCC(=O)N3CC[C@](O)(C(N)=O)C3)n2c2ccccc2c1=O ZINC000530544014 1072826870 /nfs/dbraw/zinc/82/68/70/1072826870.db2.gz NIYZVUKVUYSZHN-LJQANCHMSA-N 0 0 428.474 -0.229 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(CN3C(=O)CNC3=O)cc2)CC1 ZINC000530682587 1072829112 /nfs/dbraw/zinc/82/91/12/1072829112.db2.gz DONWZADGMDRMMI-UHFFFAOYSA-N 0 0 442.476 -0.877 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cccc(N3C(=O)CN(C)C3=O)c2)CC1 ZINC000530682649 1072829060 /nfs/dbraw/zinc/82/90/60/1072829060.db2.gz PHBHSWVFDCGTGJ-UHFFFAOYSA-N 0 0 442.476 -0.530 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)CC1 ZINC000530682861 1072829234 /nfs/dbraw/zinc/82/92/34/1072829234.db2.gz ZYZUNEKPRMJWDX-UHFFFAOYSA-N 0 0 449.533 -0.488 20 30 IBEDRN Cc1ccc(C#N)cc1NC(=O)C(=O)NC1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000530842735 1072833108 /nfs/dbraw/zinc/83/31/08/1072833108.db2.gz RSPPIFOIGPBZRP-UHFFFAOYSA-N 0 0 435.506 -0.037 20 30 IBEDRN N#CCCN(CCN1CCOCC1)C(=O)c1ccc2c(c1)S(=O)(=O)N=C1NC=NN12 ZINC000530878196 1072832816 /nfs/dbraw/zinc/83/28/16/1072832816.db2.gz RZRMFXCAOGVFEO-UHFFFAOYSA-N 0 0 431.478 -0.214 20 30 IBEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)s2)c(=O)n1CC(N)=O ZINC000530892942 1072833535 /nfs/dbraw/zinc/83/35/35/1072833535.db2.gz HLTSBQMRZCSXKA-UHFFFAOYSA-N 0 0 445.526 -0.626 20 30 IBEDRN N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1CC(N)=O ZINC000530893665 1072833362 /nfs/dbraw/zinc/83/33/62/1072833362.db2.gz SBMSEFBTWNVGDT-UHFFFAOYSA-N 0 0 427.511 -0.110 20 30 IBEDRN CC(C)(C)NS(=O)(=O)CCNC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 ZINC000530921539 1072834059 /nfs/dbraw/zinc/83/40/59/1072834059.db2.gz BUVYJSXZSSUAFY-UHFFFAOYSA-N 0 0 433.494 -0.029 20 30 IBEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cc(OC)c(OC)cc2C)c(=O)n1CC(N)=O ZINC000530960483 1072834664 /nfs/dbraw/zinc/83/46/64/1072834664.db2.gz DGBMHOFIFHXNMH-UHFFFAOYSA-N 0 0 444.513 -0.250 20 30 IBEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Cn2cnc3c2ncnc3N)CC1 ZINC000531098646 1072837626 /nfs/dbraw/zinc/83/76/26/1072837626.db2.gz CILNFZWVLMMAEM-UHFFFAOYSA-N 0 0 426.462 -0.187 20 30 IBEDRN CNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)s2)c(=O)n1CCN1CCOCC1 ZINC000531131252 1072837443 /nfs/dbraw/zinc/83/74/43/1072837443.db2.gz HDXWDFBVVKAXNW-UHFFFAOYSA-N 0 0 429.527 -0.576 20 30 IBEDRN N#CC(C(=O)N1CCSCC1)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1CC(N)=O ZINC000531131814 1072837458 /nfs/dbraw/zinc/83/74/58/1072837458.db2.gz NAMIPGMBIJHQHG-UHFFFAOYSA-N 0 0 445.551 -0.593 20 30 IBEDRN CNC(=O)C(C#N)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1CCN1CCOCC1 ZINC000531131942 1072837530 /nfs/dbraw/zinc/83/75/30/1072837530.db2.gz JXLWEAGMHPKUIR-UHFFFAOYSA-N 0 0 429.527 -0.576 20 30 IBEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1CC(N)=O ZINC000531370685 1072841867 /nfs/dbraw/zinc/84/18/67/1072841867.db2.gz ZARTZFZUVSKCSQ-UHFFFAOYSA-N 0 0 445.526 -0.626 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)N2C[C@@H](C(=O)OC)Oc3ccccc32)CC1 ZINC000531398216 1072842153 /nfs/dbraw/zinc/84/21/53/1072842153.db2.gz SQEHPMXNPIGDEB-KRWDZBQOSA-N 0 0 430.461 -0.600 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)N2C[C@H](C(=O)OC)Oc3ccccc32)CC1 ZINC000531398217 1072842300 /nfs/dbraw/zinc/84/23/00/1072842300.db2.gz SQEHPMXNPIGDEB-QGZVFWFLSA-N 0 0 430.461 -0.600 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc3nc4n(c(=O)c3c2)CCC4)CC1 ZINC000531398389 1072842251 /nfs/dbraw/zinc/84/22/51/1072842251.db2.gz KUJCYJAKIJBGTR-UHFFFAOYSA-N 0 0 438.488 -0.272 20 30 IBEDRN CN(CC(=O)NCCNS(=O)(=O)Cc1ccon1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000531413351 1072842326 /nfs/dbraw/zinc/84/23/26/1072842326.db2.gz UMQHRAYFBOVBOB-UHFFFAOYSA-N 0 0 441.491 -0.597 20 30 IBEDRN COc1cc(C)c(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CC(N)=O)c2=O)cc1OC ZINC000531436929 1072842698 /nfs/dbraw/zinc/84/26/98/1072842698.db2.gz LQTDRMCDLFXUEF-UHFFFAOYSA-N 0 0 444.513 -0.252 20 30 IBEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(OC)c(OC)cc2C)c(=O)n1CC(N)=O ZINC000531438043 1072842825 /nfs/dbraw/zinc/84/28/25/1072842825.db2.gz VXVQQQGKZQLMBQ-UHFFFAOYSA-N 0 0 442.497 -0.474 20 30 IBEDRN Cc1ccc(C=c2sc(=C(C#N)C(=O)N3CCSCC3)n(CC(N)=O)c2=O)nc1 ZINC000531630113 1072845847 /nfs/dbraw/zinc/84/58/47/1072845847.db2.gz UXJSFWKCQLBCPM-UHFFFAOYSA-N 0 0 429.527 -0.823 20 30 IBEDRN CC(=O)N[C@@H]1CCCN(C(=O)CN2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 ZINC000531648559 1072846364 /nfs/dbraw/zinc/84/63/64/1072846364.db2.gz RLUIBHFDGVFTRN-GOSISDBHSA-N 0 0 433.534 -0.008 20 30 IBEDRN CC(=O)N[C@H]1CCCN(C(=O)CN2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 ZINC000531648566 1072846531 /nfs/dbraw/zinc/84/65/31/1072846531.db2.gz RLUIBHFDGVFTRN-SFHVURJKSA-N 0 0 433.534 -0.008 20 30 IBEDRN CNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)s2)c(=O)n1CCN1CCOCC1 ZINC000531654808 1072846315 /nfs/dbraw/zinc/84/63/15/1072846315.db2.gz HWDDBZMOBDEVSE-UHFFFAOYSA-N 0 0 434.543 -0.439 20 30 IBEDRN CCOc1cccc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(CC(N)=O)c2=O)n1 ZINC000531655141 1072846506 /nfs/dbraw/zinc/84/65/06/1072846506.db2.gz BHPUDPDKTYQFLR-UHFFFAOYSA-N 0 0 441.513 -0.249 20 30 IBEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2sccc2OC)c(=O)n1CC(N)=O ZINC000531683749 1072846843 /nfs/dbraw/zinc/84/68/43/1072846843.db2.gz CESXARIFTDXSQT-UHFFFAOYSA-N 0 0 436.515 -0.879 20 30 IBEDRN N#CC(C(=O)N1CCCC1)=c1sc(=Cc2cc(F)c(F)cc2F)c(=O)n1CC(N)=O ZINC000531755256 1072847602 /nfs/dbraw/zinc/84/76/02/1072847602.db2.gz VSXYKHSIMGGOKE-UHFFFAOYSA-N 0 0 436.415 -0.062 20 30 IBEDRN CCOCCS(=O)(=O)NCC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000531808983 1072848751 /nfs/dbraw/zinc/84/87/51/1072848751.db2.gz JHRMZMCBSRZKCA-UHFFFAOYSA-N 0 0 444.535 -0.653 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cc3ccccc3s2)c(=O)n1CC(N)=O ZINC000531815334 1072848834 /nfs/dbraw/zinc/84/88/34/1072848834.db2.gz ZTGXHKSRPBMSTH-UHFFFAOYSA-N 0 0 442.522 -0.125 20 30 IBEDRN N#CC(C(=O)NC1CC1)=c1sc(=Cc2cccc(-n3cccn3)c2)c(=O)n1CC(N)=O ZINC000531852248 1072850071 /nfs/dbraw/zinc/85/00/71/1072850071.db2.gz RYGYPPLLZLGEIR-UHFFFAOYSA-N 0 0 434.481 -0.638 20 30 IBEDRN CCOc1cccc(C=c2sc(=C(C#N)C(=O)NC)n(CCN3CCOCC3)c2=O)n1 ZINC000531909162 1072851171 /nfs/dbraw/zinc/85/11/71/1072851171.db2.gz AYSOBPOLUUUFEW-UHFFFAOYSA-N 0 0 443.529 -0.715 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(CC(C)C)cc2)c(=O)n1CC(N)=O ZINC000532032503 1072853025 /nfs/dbraw/zinc/85/30/25/1072853025.db2.gz XDRUFIJKTITYGU-UHFFFAOYSA-N 0 0 442.541 -0.141 20 30 IBEDRN N#CC(C(=O)N1CCCC1)=c1sc(=Cc2cccc(-n3cccn3)c2)c(=O)n1CC(N)=O ZINC000532108295 1072854028 /nfs/dbraw/zinc/85/40/28/1072854028.db2.gz ITOHJUFMDMEGSM-UHFFFAOYSA-N 0 0 448.508 -0.294 20 30 IBEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2cccc(-n3cccn3)c2)c(=O)n1CC(N)=O ZINC000532108624 1072853928 /nfs/dbraw/zinc/85/39/28/1072853928.db2.gz FQKTYRMNYRVRIF-UHFFFAOYSA-N 0 0 436.497 -0.392 20 30 IBEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(-n3cccn3)c2)c(=O)n1CC(N)=O ZINC000532109397 1072854841 /nfs/dbraw/zinc/85/48/41/1072854841.db2.gz OTHPNSIUSRIQLY-UHFFFAOYSA-N 0 0 434.481 -0.614 20 30 IBEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cn2)c(=O)n1CC(N)=O ZINC000532140108 1072855681 /nfs/dbraw/zinc/85/56/81/1072855681.db2.gz HZJDIAQJUQHZTN-UHFFFAOYSA-N 0 0 429.502 -0.856 20 30 IBEDRN CCOc1cccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CC(N)=O)c2=O)n1 ZINC000532165052 1072856504 /nfs/dbraw/zinc/85/65/04/1072856504.db2.gz NAPKGDIKUGRSBV-UHFFFAOYSA-N 0 0 429.502 -0.536 20 30 IBEDRN CCOc1cccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CC(N)=O)c2=O)n1 ZINC000532165093 1072856375 /nfs/dbraw/zinc/85/63/75/1072856375.db2.gz YGTKADIYBDXHES-UHFFFAOYSA-N 0 0 427.486 -0.686 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2Cl)c(=O)n1CC(N)=O ZINC000532265956 1072857123 /nfs/dbraw/zinc/85/71/23/1072857123.db2.gz HRQHALALRSFZMG-UHFFFAOYSA-N 0 0 438.868 -0.547 20 30 IBEDRN CCOCCS(=O)(=O)NCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000532326897 1072858921 /nfs/dbraw/zinc/85/89/21/1072858921.db2.gz VBFYCDIJOGPIJZ-UHFFFAOYSA-N 0 0 444.535 -0.653 20 30 IBEDRN CN(C)CCN(C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000532335333 1072859012 /nfs/dbraw/zinc/85/90/12/1072859012.db2.gz BDYNVASOKLWRBN-INIZCTEOSA-N 0 0 442.563 -0.244 20 30 IBEDRN CN(C)CCN(C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000532335334 1072858855 /nfs/dbraw/zinc/85/88/55/1072858855.db2.gz BDYNVASOKLWRBN-MRXNPFEDSA-N 0 0 442.563 -0.244 20 30 IBEDRN C=CCn1c2nnc(SCC(=O)N3CCN(CC(N)=O)CC3)n2c2ccccc2c1=O ZINC000532349926 1072859580 /nfs/dbraw/zinc/85/95/80/1072859580.db2.gz PCYORDRIVNQHNW-UHFFFAOYSA-N 0 0 441.517 -0.048 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(Cl)c2F)c(=O)n1CC(N)=O ZINC000532353101 1072859375 /nfs/dbraw/zinc/85/93/75/1072859375.db2.gz MJAYQUAEDJWQDH-UHFFFAOYSA-N 0 0 438.868 -0.547 20 30 IBEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(-n3cccn3)c2)c(=O)n1CC(N)=O ZINC000532363418 1072859393 /nfs/dbraw/zinc/85/93/93/1072859393.db2.gz NHTMTYWRTNVGEP-UHFFFAOYSA-N 0 0 436.497 -0.390 20 30 IBEDRN C=CCN(C(=O)[C@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000532410376 1072873851 /nfs/dbraw/zinc/87/38/51/1072873851.db2.gz FMVPBVTXDWPQIO-GXTWGEPZSA-N 0 0 429.520 -0.346 20 30 IBEDRN C=CCN(C(=O)[C@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000532410377 1072873862 /nfs/dbraw/zinc/87/38/62/1072873862.db2.gz FMVPBVTXDWPQIO-JSGCOSHPSA-N 0 0 429.520 -0.346 20 30 IBEDRN C=CCN(C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000532410378 1072874000 /nfs/dbraw/zinc/87/40/00/1072874000.db2.gz FMVPBVTXDWPQIO-OCCSQVGLSA-N 0 0 429.520 -0.346 20 30 IBEDRN C=CCN(C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000532410379 1072873684 /nfs/dbraw/zinc/87/36/84/1072873684.db2.gz FMVPBVTXDWPQIO-TZMCWYRMSA-N 0 0 429.520 -0.346 20 30 IBEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OCC)n2)c(=O)n1CC(N)=O ZINC000532419234 1072875705 /nfs/dbraw/zinc/87/57/05/1072875705.db2.gz MVBZBOGFIYGUFP-UHFFFAOYSA-N 0 0 429.502 -0.392 20 30 IBEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)s2)c(=O)n1CC(N)=O ZINC000532419293 1072875445 /nfs/dbraw/zinc/87/54/45/1072875445.db2.gz NLZWQTIGZLYTCC-UHFFFAOYSA-N 0 0 436.515 -0.879 20 30 IBEDRN CNC(=O)C(C#N)=c1sc(=Cc2sccc2OC)c(=O)n1CCN1CCOCC1 ZINC000532447857 1072877277 /nfs/dbraw/zinc/87/72/77/1072877277.db2.gz FHIMXNALRNMBPK-UHFFFAOYSA-N 0 0 434.543 -0.439 20 30 IBEDRN CN(CC(=O)NCCNS(=O)(=O)c1cccnc1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000532588608 1072882744 /nfs/dbraw/zinc/88/27/44/1072882744.db2.gz NXNRKMJENINQBV-UHFFFAOYSA-N 0 0 437.503 -0.332 20 30 IBEDRN COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)Nc2cc(C)nn2CCC#N)CC1 ZINC000532604248 1072884368 /nfs/dbraw/zinc/88/43/68/1072884368.db2.gz FVMYBKNDPFLKCR-INIZCTEOSA-N 0 0 433.513 -0.271 20 30 IBEDRN COCCCNC(=O)[C@@H](C)N1CCN(C(=O)C(=O)Nc2cc(C)nn2CCC#N)CC1 ZINC000532604249 1072884205 /nfs/dbraw/zinc/88/42/05/1072884205.db2.gz FVMYBKNDPFLKCR-MRXNPFEDSA-N 0 0 433.513 -0.271 20 30 IBEDRN Cc1cc(NC(=O)C(=O)N2CCN(S(=O)(=O)CCOC(C)C)CC2)n(CCC#N)n1 ZINC000532604416 1072884189 /nfs/dbraw/zinc/88/41/89/1072884189.db2.gz KAUJEQUVNLESTO-UHFFFAOYSA-N 0 0 440.526 -0.057 20 30 IBEDRN Cc1cc(NC(=O)C(=O)N2CCN([C@@H](C)C(=O)N3CCOCC3)CC2)n(CCC#N)n1 ZINC000532605619 1072883639 /nfs/dbraw/zinc/88/36/39/1072883639.db2.gz VLUPVVQZTJFDNF-INIZCTEOSA-N 0 0 431.497 -0.565 20 30 IBEDRN Cc1cc(NC(=O)C(=O)N2CCN([C@H](C)C(=O)N3CCOCC3)CC2)n(CCC#N)n1 ZINC000532605620 1072883737 /nfs/dbraw/zinc/88/37/37/1072883737.db2.gz VLUPVVQZTJFDNF-MRXNPFEDSA-N 0 0 431.497 -0.565 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cc(F)c(F)cc2F)c(=O)n1CC(N)=O ZINC000532620537 1072885380 /nfs/dbraw/zinc/88/53/80/1072885380.db2.gz LWXKIEYHVJAQGE-UHFFFAOYSA-N 0 0 440.403 -0.922 20 30 IBEDRN CCn1c(N)c(C(=O)CN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c(=O)[nH]c1=O ZINC000532642300 1072885874 /nfs/dbraw/zinc/88/58/74/1072885874.db2.gz WFIISDLHGPZNSB-UHFFFAOYSA-N 0 0 446.489 -0.388 20 30 IBEDRN N#Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N3CCN(C(=O)C4CC4)CC3)CC2)cc1 ZINC000532642642 1072885703 /nfs/dbraw/zinc/88/57/03/1072885703.db2.gz XAXOGRCNHJAKOP-UHFFFAOYSA-N 0 0 445.545 -0.055 20 30 IBEDRN CN(CC(=O)Nc1c(C#N)cnn1-c1ccccc1)CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000532657318 1072888467 /nfs/dbraw/zinc/88/84/67/1072888467.db2.gz SDVMMFSTGKDUCT-HNNXBMFYSA-N 0 0 430.490 -0.082 20 30 IBEDRN CN(CC(=O)Nc1c(C#N)cnn1-c1ccccc1)CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000532657319 1072888456 /nfs/dbraw/zinc/88/84/56/1072888456.db2.gz SDVMMFSTGKDUCT-OAHLLOKOSA-N 0 0 430.490 -0.082 20 30 IBEDRN N#Cc1ccc(CNC(=O)CN2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)cc1 ZINC000532665792 1072890007 /nfs/dbraw/zinc/89/00/07/1072890007.db2.gz QAXFGIVTTOHDTD-UHFFFAOYSA-N 0 0 431.474 -0.127 20 30 IBEDRN COc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3cnc(C#N)n3)CC2)cc1[N+](=O)[O-] ZINC000532667072 1072890417 /nfs/dbraw/zinc/89/04/17/1072890417.db2.gz WAMBQQUGTLVQDS-UHFFFAOYSA-N 0 0 435.422 -0.400 20 30 IBEDRN Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN(c4ncccc4C(N)=O)CC3)CC2)o1 ZINC000532669049 1072890927 /nfs/dbraw/zinc/89/09/27/1072890927.db2.gz LDZANWYFMBAWGT-UHFFFAOYSA-N 0 0 438.492 -0.181 20 30 IBEDRN C=CCNC(=O)NC(=O)CN1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC000532701966 1072893604 /nfs/dbraw/zinc/89/36/04/1072893604.db2.gz HLHGWJATUMHSEB-UHFFFAOYSA-N 0 0 437.478 -0.664 20 30 IBEDRN C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000532706680 1072896666 /nfs/dbraw/zinc/89/66/66/1072896666.db2.gz HLWQDBVLHKDCHS-CRAIPNDOSA-N 0 0 433.534 -0.194 20 30 IBEDRN C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000532706681 1072896632 /nfs/dbraw/zinc/89/66/32/1072896632.db2.gz HLWQDBVLHKDCHS-MAUKXSAKSA-N 0 0 433.534 -0.194 20 30 IBEDRN C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC000532706682 1072896905 /nfs/dbraw/zinc/89/69/05/1072896905.db2.gz HLWQDBVLHKDCHS-QAPCUYQASA-N 0 0 433.534 -0.194 20 30 IBEDRN C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC000532706683 1072896836 /nfs/dbraw/zinc/89/68/36/1072896836.db2.gz HLWQDBVLHKDCHS-YJBOKZPZSA-N 0 0 433.534 -0.194 20 30 IBEDRN N#Cc1cnn(-c2ccccc2)c1NC(=O)CN[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000532711028 1072897874 /nfs/dbraw/zinc/89/78/74/1072897874.db2.gz DHURREAIPSKCBE-MSOLQXFVSA-N 0 0 444.517 -0.230 20 30 IBEDRN N#Cc1cnn(-c2ccccc2)c1NC(=O)CN[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000532711029 1072897767 /nfs/dbraw/zinc/89/77/67/1072897767.db2.gz DHURREAIPSKCBE-QZTJIDSGSA-N 0 0 444.517 -0.230 20 30 IBEDRN N#Cc1cnn(-c2ccccc2)c1NC(=O)CN[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000532711030 1072897585 /nfs/dbraw/zinc/89/75/85/1072897585.db2.gz DHURREAIPSKCBE-ROUUACIJSA-N 0 0 444.517 -0.230 20 30 IBEDRN N#Cc1cnn(-c2ccccc2)c1NC(=O)CN[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000532711031 1072897749 /nfs/dbraw/zinc/89/77/49/1072897749.db2.gz DHURREAIPSKCBE-ZWKOTPCHSA-N 0 0 444.517 -0.230 20 30 IBEDRN C=CCN(CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000532718439 1072598475 /nfs/dbraw/zinc/59/84/75/1072598475.db2.gz GFGSGRAHZQGCOQ-HNNXBMFYSA-N 0 0 433.538 -0.313 20 30 IBEDRN C=CCN(CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000532718440 1072899559 /nfs/dbraw/zinc/89/95/59/1072899559.db2.gz GFGSGRAHZQGCOQ-OAHLLOKOSA-N 0 0 433.538 -0.313 20 30 IBEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@H](S(=O)(=O)NC)C2)cc1 ZINC000532751076 1072902647 /nfs/dbraw/zinc/90/26/47/1072902647.db2.gz HWMUOOQVDXFJJU-HNNXBMFYSA-N 0 0 444.535 -0.418 20 30 IBEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@@H](S(=O)(=O)NC)C2)cc1 ZINC000532751077 1072902635 /nfs/dbraw/zinc/90/26/35/1072902635.db2.gz HWMUOOQVDXFJJU-OAHLLOKOSA-N 0 0 444.535 -0.418 20 30 IBEDRN CCN(CC)C(=O)CN1CCN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)CC1 ZINC000532766565 1072904923 /nfs/dbraw/zinc/90/49/23/1072904923.db2.gz OTNMLWHTJRCBHU-UHFFFAOYSA-N 0 0 431.541 -0.011 20 30 IBEDRN CCOCCn1c(=O)c(=Cc2ccnn2CC)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000532799889 1072905377 /nfs/dbraw/zinc/90/53/77/1072905377.db2.gz DHSYDHKQZJGLJP-UHFFFAOYSA-N 0 0 431.518 -0.475 20 30 IBEDRN CNC(=O)[C@@H]1CCCCN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000532886865 1072907681 /nfs/dbraw/zinc/90/76/81/1072907681.db2.gz LWMMPYPUVVAWFL-KRWDZBQOSA-N 0 0 433.534 -0.008 20 30 IBEDRN CNC(=O)[C@H]1CCCCN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000532886866 1072907493 /nfs/dbraw/zinc/90/74/93/1072907493.db2.gz LWMMPYPUVVAWFL-QGZVFWFLSA-N 0 0 433.534 -0.008 20 30 IBEDRN CN(CC(=O)NCC#N)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000532917158 1072910536 /nfs/dbraw/zinc/91/05/36/1072910536.db2.gz MJPUGGOUVFOMKO-UHFFFAOYSA-N 0 0 443.913 -0.129 20 30 IBEDRN CN1CCN(S(=O)(=O)N2CCN([C@H]3CCN(c4ccc(C#N)cc4)C3=O)CC2)CC1 ZINC000532918367 1072911201 /nfs/dbraw/zinc/91/12/01/1072911201.db2.gz ZOJPARRJFGEMKV-IBGZPJMESA-N 0 0 432.550 -0.227 20 30 IBEDRN CN1CCN(S(=O)(=O)N2CCN([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)CC2)CC1 ZINC000532918370 1072911171 /nfs/dbraw/zinc/91/11/71/1072911171.db2.gz ZOJPARRJFGEMKV-LJQANCHMSA-N 0 0 432.550 -0.227 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)NCCNS(=O)(=O)c2cc(C)sc2C)C1=O ZINC000532957393 1072912644 /nfs/dbraw/zinc/91/26/44/1072912644.db2.gz PCTRAJUJEAAMCF-UHFFFAOYSA-N 0 0 428.492 -0.264 20 30 IBEDRN N#CCCNS(=O)(=O)c1ccc(C(=O)NCCNS(=O)(=O)c2cccnc2)cc1 ZINC000532992011 1072914989 /nfs/dbraw/zinc/91/49/89/1072914989.db2.gz UTJQGBXYLOYTEW-UHFFFAOYSA-N 0 0 437.503 -0.018 20 30 IBEDRN COCCCS(=O)(=O)N1CCN(C(=O)C(=O)Nc2cc(C)nn2CCC#N)CC1 ZINC000532995339 1072913872 /nfs/dbraw/zinc/91/38/72/1072913872.db2.gz AWIREEXVEPPFBD-UHFFFAOYSA-N 0 0 426.499 -0.446 20 30 IBEDRN C[C@@H](C(=O)N(C)CCC#N)N1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000533031877 1072915268 /nfs/dbraw/zinc/91/52/68/1072915268.db2.gz IFWBDBNPFADGPK-AWEZNQCLSA-N 0 0 443.551 -0.599 20 30 IBEDRN C[C@H](C(=O)N(C)CCC#N)N1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000533031878 1072915425 /nfs/dbraw/zinc/91/54/25/1072915425.db2.gz IFWBDBNPFADGPK-CQSZACIVSA-N 0 0 443.551 -0.599 20 30 IBEDRN COc1cc(C#N)ccc1OCCN1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC000533058245 1072919007 /nfs/dbraw/zinc/91/90/07/1072919007.db2.gz ICKDCVHPNQFRFS-KRWDZBQOSA-N 0 0 436.534 -0.133 20 30 IBEDRN COc1cc(C#N)ccc1OCCN1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000533058246 1072918989 /nfs/dbraw/zinc/91/89/89/1072918989.db2.gz ICKDCVHPNQFRFS-QGZVFWFLSA-N 0 0 436.534 -0.133 20 30 IBEDRN N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CCN(CC(N)=O)CC2)CC1 ZINC000533078731 1072921621 /nfs/dbraw/zinc/92/16/21/1072921621.db2.gz JYGDCWDWLLQMHM-UHFFFAOYSA-N 0 0 427.465 -0.442 20 30 IBEDRN CCOC(=O)Cn1cccc(NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)c1=O ZINC000533136685 1072924624 /nfs/dbraw/zinc/92/46/24/1072924624.db2.gz XVJROJRZNSSALH-UHFFFAOYSA-N 0 0 438.444 -0.035 20 30 IBEDRN CCn1c(N)c(C(=O)CN2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c(=O)[nH]c1=O ZINC000533238997 1072929275 /nfs/dbraw/zinc/92/92/75/1072929275.db2.gz OBKGHFBWIWWIPR-UHFFFAOYSA-N 0 0 446.489 -0.388 20 30 IBEDRN Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN(C(=O)C(=O)N4CCCC4)CC3)CC2)o1 ZINC000533243250 1072928359 /nfs/dbraw/zinc/92/83/59/1072928359.db2.gz QTJYUIYZEMJBCA-UHFFFAOYSA-N 0 0 443.508 -0.730 20 30 IBEDRN Cc1cc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3cccnc3)CC2)n(CCC#N)n1 ZINC000533320657 1072933313 /nfs/dbraw/zinc/93/33/13/1072933313.db2.gz LGSZLROZZGNXAA-UHFFFAOYSA-N 0 0 431.478 -0.028 20 30 IBEDRN CC(=O)N[C@@H]1CCCN(C(=O)CN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 ZINC000533343237 1072934212 /nfs/dbraw/zinc/93/42/12/1072934212.db2.gz ITCMHLBGHBWAJY-GOSISDBHSA-N 0 0 433.534 -0.008 20 30 IBEDRN CC(=O)N[C@H]1CCCN(C(=O)CN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 ZINC000533343238 1072934386 /nfs/dbraw/zinc/93/43/86/1072934386.db2.gz ITCMHLBGHBWAJY-SFHVURJKSA-N 0 0 433.534 -0.008 20 30 IBEDRN CC(=O)N1CCC(NC(=O)CN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 ZINC000533343547 1072934357 /nfs/dbraw/zinc/93/43/57/1072934357.db2.gz BJLWGPKZSYJSIL-UHFFFAOYSA-N 0 0 433.534 -0.008 20 30 IBEDRN CCN(CCC#N)C(=O)CN1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000533354245 1072935400 /nfs/dbraw/zinc/93/54/00/1072935400.db2.gz ZTZGULCRGUBSHI-UHFFFAOYSA-N 0 0 443.551 -0.598 20 30 IBEDRN Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN(c4ccc(C(N)=O)cn4)CC3)CC2)o1 ZINC000533358371 1072934748 /nfs/dbraw/zinc/93/47/48/1072934748.db2.gz DYIWOJSPBIHGGL-UHFFFAOYSA-N 0 0 438.492 -0.181 20 30 IBEDRN CN(C(=O)CN1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1)C1(C#N)CCCCC1 ZINC000533379409 1072937266 /nfs/dbraw/zinc/93/72/66/1072937266.db2.gz IURRGRHLTJPTAD-KRWDZBQOSA-N 0 0 439.582 -0.408 20 30 IBEDRN CN(C(=O)CN1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1)C1(C#N)CCCCC1 ZINC000533379410 1072937300 /nfs/dbraw/zinc/93/73/00/1072937300.db2.gz IURRGRHLTJPTAD-QGZVFWFLSA-N 0 0 439.582 -0.408 20 30 IBEDRN COC(=O)CN(CCN1CCOCC1)CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000533432738 1072942394 /nfs/dbraw/zinc/94/23/94/1072942394.db2.gz GKWQRMKMJHAZOQ-UHFFFAOYSA-N 0 0 434.497 -0.690 20 30 IBEDRN N#Cc1cccc(CNC(=O)CN2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)c1 ZINC000533494247 1072944458 /nfs/dbraw/zinc/94/44/58/1072944458.db2.gz RVOPMMSBSHDCSA-UHFFFAOYSA-N 0 0 431.474 -0.127 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)ccc2F)c(=O)n1CC(N)=O ZINC000533579432 1072951264 /nfs/dbraw/zinc/95/12/64/1072951264.db2.gz FLBZZVPMXMGCNT-UHFFFAOYSA-N 0 0 438.868 -0.547 20 30 IBEDRN CCn1nccc1C=c1sc(=C(C#N)C(=O)N(C)c2ccccc2)n(CC(N)=O)c1=O ZINC000533579473 1072951231 /nfs/dbraw/zinc/95/12/31/1072951231.db2.gz QFEUCYVJEKHSOZ-UHFFFAOYSA-N 0 0 436.497 -0.222 20 30 IBEDRN CCOCCn1c(=O)c(=Cc2ccnn2CC)sc1=C(C#N)C(=O)N[C@@H](C)COC ZINC000533579521 1072951082 /nfs/dbraw/zinc/95/10/82/1072951082.db2.gz KOPZQAAKRMMVSH-AWEZNQCLSA-N 0 0 433.534 -0.183 20 30 IBEDRN CCOCCn1c(=O)c(=Cc2ccnn2CC)sc1=C(C#N)C(=O)N[C@H](C)COC ZINC000533579523 1072951098 /nfs/dbraw/zinc/95/10/98/1072951098.db2.gz KOPZQAAKRMMVSH-CQSZACIVSA-N 0 0 433.534 -0.183 20 30 IBEDRN CCOC(=O)Cn1cccc(NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)c1=O ZINC000533593340 1072951647 /nfs/dbraw/zinc/95/16/47/1072951647.db2.gz ONFPHXMLFYIGJY-UHFFFAOYSA-N 0 0 438.444 -0.035 20 30 IBEDRN CCOC(=O)C=c1sc(=Cc2ccccc2C#N)c(=O)n1CC(=O)N1CCOCC1 ZINC000533701730 1072954379 /nfs/dbraw/zinc/95/43/79/1072954379.db2.gz GSGRASSSCRCHSK-UHFFFAOYSA-N 0 0 427.482 -0.187 20 30 IBEDRN Cn1c(=O)c(=Cc2cc(F)cc(F)c2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000533713808 1072954952 /nfs/dbraw/zinc/95/49/52/1072954952.db2.gz UHDMUMPPHWZAQF-UHFFFAOYSA-N 0 0 434.468 -0.324 20 30 IBEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2C(=O)N[C@]3(CCOC3)C2=O)CC1 ZINC000533716460 1072954879 /nfs/dbraw/zinc/95/48/79/1072954879.db2.gz JCYXISWBMMFPDQ-IBGZPJMESA-N 0 0 447.473 -0.898 20 30 IBEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2C(=O)N[C@@]3(CCOC3)C2=O)CC1 ZINC000533716465 1072954811 /nfs/dbraw/zinc/95/48/11/1072954811.db2.gz JCYXISWBMMFPDQ-LJQANCHMSA-N 0 0 447.473 -0.898 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1C[C@@H]1CCCCO1 ZINC000533884786 1072966261 /nfs/dbraw/zinc/96/62/61/1072966261.db2.gz MQYXSYNETZRRHQ-HNNXBMFYSA-N 0 0 431.518 -0.522 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1C[C@H]1CCCCO1 ZINC000533884787 1071060542 /nfs/dbraw/zinc/06/05/42/1071060542.db2.gz MQYXSYNETZRRHQ-OAHLLOKOSA-N 0 0 431.518 -0.522 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)NC2CN(S(=O)(=O)c3ccc(OC)cc3)C2)C1=O ZINC000534092373 1072410375 /nfs/dbraw/zinc/41/03/75/1072410375.db2.gz HZZBCYRCYDEOSK-UHFFFAOYSA-N 0 0 436.446 -0.839 20 30 IBEDRN CN(CCCc1[nH]nc(N)c1C#N)C(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC000534288836 1072415501 /nfs/dbraw/zinc/41/55/01/1072415501.db2.gz MYPONARDSGIJPN-UHFFFAOYSA-N 0 0 445.505 -0.311 20 30 IBEDRN CNC(=O)C(C#N)=c1sc(=Cc2cc(F)cc(F)c2)c(=O)n1CCN1CCOCC1 ZINC000534400222 1072417351 /nfs/dbraw/zinc/41/73/51/1072417351.db2.gz OLNQPQSFEJBGCD-UHFFFAOYSA-N 0 0 434.468 -0.231 20 30 IBEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2cc(F)cc(F)c2)c(=O)n1CC(N)=O ZINC000534401645 1072417376 /nfs/dbraw/zinc/41/73/76/1072417376.db2.gz SFRBZGZSGRIBIH-UHFFFAOYSA-N 0 0 434.424 -0.965 20 30 IBEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cc(F)cc(F)c2)c(=O)n1CC(N)=O ZINC000534401895 1072417391 /nfs/dbraw/zinc/41/73/91/1072417391.db2.gz UMZBHEWBBWRFFR-UHFFFAOYSA-N 0 0 436.440 -0.671 20 30 IBEDRN COC(=O)c1cccc(CN2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)c1C#N ZINC000534472597 1072418530 /nfs/dbraw/zinc/41/85/30/1072418530.db2.gz FXIBYIHTXBYQDX-INIZCTEOSA-N 0 0 434.518 -0.234 20 30 IBEDRN COC(=O)c1cccc(CN2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)c1C#N ZINC000534472604 1072419141 /nfs/dbraw/zinc/41/91/41/1072419141.db2.gz FXIBYIHTXBYQDX-MRXNPFEDSA-N 0 0 434.518 -0.234 20 30 IBEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccnc4c(C(N)=O)cnn43)CC2)cc1 ZINC000534587133 1072421993 /nfs/dbraw/zinc/42/19/93/1072421993.db2.gz ZRICYHFRNMKGFA-UHFFFAOYSA-N 0 0 439.457 -0.153 20 30 IBEDRN CN(CCCc1[nH]nc(N)c1C#N)CC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000534833486 1072428136 /nfs/dbraw/zinc/42/81/36/1072428136.db2.gz FFCIGCCXGJUTAZ-CABCVRRESA-N 0 0 438.554 -0.077 20 30 IBEDRN CN(CCCc1[nH]nc(N)c1C#N)CC(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000534833488 1072428056 /nfs/dbraw/zinc/42/80/56/1072428056.db2.gz FFCIGCCXGJUTAZ-GJZGRUSLSA-N 0 0 438.554 -0.077 20 30 IBEDRN CN(CCCc1[nH]nc(N)c1C#N)CC(=O)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000534833489 1072428114 /nfs/dbraw/zinc/42/81/14/1072428114.db2.gz FFCIGCCXGJUTAZ-HUUCEWRRSA-N 0 0 438.554 -0.077 20 30 IBEDRN CN(CCCc1[nH]nc(N)c1C#N)CC(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000534833490 1072427993 /nfs/dbraw/zinc/42/79/93/1072427993.db2.gz FFCIGCCXGJUTAZ-LSDHHAIUSA-N 0 0 438.554 -0.077 20 30 IBEDRN Cn1c(=O)c(=Cc2cc(F)cc(F)c2)sc1=C(C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000535137159 1072433880 /nfs/dbraw/zinc/43/38/80/1072433880.db2.gz IKTIMACMVCNHHG-UHFFFAOYSA-N 0 0 439.465 -0.515 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(Cl)c2)c(=O)n1CC(N)=O ZINC000535139409 1072433846 /nfs/dbraw/zinc/43/38/46/1072433846.db2.gz YMQDBFOMLNHTCR-UHFFFAOYSA-N 0 0 438.868 -0.547 20 30 IBEDRN CCn1nccc1C=c1sc(=C(C#N)C(=O)NCCOC)n(C[C@@H]2CCCCO2)c1=O ZINC000535330002 1072438310 /nfs/dbraw/zinc/43/83/10/1072438310.db2.gz XAQDLNSWJKSGSH-INIZCTEOSA-N 0 0 445.545 -0.039 20 30 IBEDRN CCn1nccc1C=c1sc(=C(C#N)C(=O)NCCOC)n(C[C@H]2CCCCO2)c1=O ZINC000535330017 1072438320 /nfs/dbraw/zinc/43/83/20/1072438320.db2.gz XAQDLNSWJKSGSH-MRXNPFEDSA-N 0 0 445.545 -0.039 20 30 IBEDRN COCC1(O)CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 ZINC000535379877 1072439429 /nfs/dbraw/zinc/43/94/29/1072439429.db2.gz ITJYTDOWRYEMMM-UHFFFAOYSA-N 0 0 436.534 -0.136 20 30 IBEDRN CN1CCN(S(=O)(=O)N2CCN(S(=O)(=O)Cc3cc(C#N)ccc3F)CC2)CC1 ZINC000535459346 1072441128 /nfs/dbraw/zinc/44/11/28/1072441128.db2.gz NJDZIKWOIDDKLT-UHFFFAOYSA-N 0 0 445.542 -0.363 20 30 IBEDRN COCCN(CC(=O)N1CCN(c2oc(C)nc2C#N)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000535542853 1072443249 /nfs/dbraw/zinc/44/32/49/1072443249.db2.gz KDYZCVDNDBNFAC-HNNXBMFYSA-N 0 0 425.511 -0.361 20 30 IBEDRN COCCN(CC(=O)N1CCN(c2oc(C)nc2C#N)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000535542858 1072443239 /nfs/dbraw/zinc/44/32/39/1072443239.db2.gz KDYZCVDNDBNFAC-OAHLLOKOSA-N 0 0 425.511 -0.361 20 30 IBEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(S(N)(=O)=O)nc3)CC2)cc1 ZINC000535738506 1071039853 /nfs/dbraw/zinc/03/98/53/1071039853.db2.gz IEGRPQYUZHFJTA-UHFFFAOYSA-N 0 0 435.487 -0.253 20 30 IBEDRN CNS(=O)(=O)NC1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 ZINC000535836451 1071044202 /nfs/dbraw/zinc/04/42/02/1071044202.db2.gz XSNBMMWGDBTIGN-UHFFFAOYSA-N 0 0 429.524 -0.463 20 30 IBEDRN C=CCCOCCNC(=O)N1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000536068596 1071172907 /nfs/dbraw/zinc/17/29/07/1071172907.db2.gz IZDAEQYRARZYIG-UHFFFAOYSA-N 0 0 446.551 -0.057 20 30 IBEDRN Cn1nccc1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(C[C@@H]2CCCCO2)c1=O ZINC000536085720 1071178693 /nfs/dbraw/zinc/17/86/93/1071178693.db2.gz SHWMWVXSUXTOAO-INIZCTEOSA-N 0 0 443.529 -0.426 20 30 IBEDRN Cn1nccc1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(C[C@H]2CCCCO2)c1=O ZINC000536085721 1071179026 /nfs/dbraw/zinc/17/90/26/1071179026.db2.gz SHWMWVXSUXTOAO-MRXNPFEDSA-N 0 0 443.529 -0.426 20 30 IBEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1C[C@@H]1CCCCO1 ZINC000536086449 1071179602 /nfs/dbraw/zinc/17/96/02/1071179602.db2.gz HKGCWUHTOIPKLT-INIZCTEOSA-N 0 0 445.545 -0.132 20 30 IBEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1C[C@H]1CCCCO1 ZINC000536086450 1071179744 /nfs/dbraw/zinc/17/97/44/1071179744.db2.gz HKGCWUHTOIPKLT-MRXNPFEDSA-N 0 0 445.545 -0.132 20 30 IBEDRN COc1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CC(N)=O)c2=O)ccc1[N+](=O)[O-] ZINC000536117439 1071199861 /nfs/dbraw/zinc/19/98/61/1071199861.db2.gz TYHWBPSJIXEEEX-UHFFFAOYSA-N 0 0 445.457 -0.660 20 30 IBEDRN CCOC(=O)C=c1sc(=Cc2ccc(F)c(C#N)c2)c(=O)n1CC(=O)N1CCOCC1 ZINC000536141100 1071203974 /nfs/dbraw/zinc/20/39/74/1071203974.db2.gz PCZPWBRSSAKUJO-UHFFFAOYSA-N 0 0 445.472 -0.048 20 30 IBEDRN CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C1 ZINC000536598120 1073338009 /nfs/dbraw/zinc/33/80/09/1073338009.db2.gz OATUITSEQYFWLB-HNNXBMFYSA-N 0 0 431.478 -0.323 20 30 IBEDRN CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C1 ZINC000536598121 1073337826 /nfs/dbraw/zinc/33/78/26/1073337826.db2.gz OATUITSEQYFWLB-OAHLLOKOSA-N 0 0 431.478 -0.323 20 30 IBEDRN N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CC[C@@H](S(N)(=O)=O)C2)CC1 ZINC000536749932 1072967901 /nfs/dbraw/zinc/96/79/01/1072967901.db2.gz HFMBDGPXDDMUHX-CYBMUJFWSA-N 0 0 434.478 -0.182 20 30 IBEDRN N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CC[C@H](S(N)(=O)=O)C2)CC1 ZINC000536749933 1072967714 /nfs/dbraw/zinc/96/77/14/1072967714.db2.gz HFMBDGPXDDMUHX-ZDUSSCGKSA-N 0 0 434.478 -0.182 20 30 IBEDRN CCOC(=O)c1cnn(CCC#N)c1NC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000536790506 1072968349 /nfs/dbraw/zinc/96/83/49/1072968349.db2.gz LRYIFTXWXDZQBE-UHFFFAOYSA-N 0 0 442.436 -0.251 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(C[C@H]3CC(=O)NC3=O)cc2)CC1 ZINC000536966179 1072969783 /nfs/dbraw/zinc/96/97/83/1072969783.db2.gz BPCQKKIWGDJVIE-INIZCTEOSA-N 0 0 441.488 -0.723 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(C[C@@H]3CC(=O)NC3=O)cc2)CC1 ZINC000536966180 1072969798 /nfs/dbraw/zinc/96/97/98/1072969798.db2.gz BPCQKKIWGDJVIE-MRXNPFEDSA-N 0 0 441.488 -0.723 20 30 IBEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC(OCC(=O)N(C)C)C2)cc1 ZINC000536997220 1072972741 /nfs/dbraw/zinc/97/27/41/1072972741.db2.gz HCLLYQDGVOROAB-UHFFFAOYSA-N 0 0 438.506 -0.253 20 30 IBEDRN C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CC1 ZINC000536998959 1073352321 /nfs/dbraw/zinc/35/23/21/1073352321.db2.gz RKCDADUMORNCRX-HNNXBMFYSA-N 0 0 445.524 -0.160 20 30 IBEDRN C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CC1 ZINC000536998960 1072972654 /nfs/dbraw/zinc/97/26/54/1072972654.db2.gz RKCDADUMORNCRX-OAHLLOKOSA-N 0 0 445.524 -0.160 20 30 IBEDRN C=CC[C@H](CO)CNC(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 ZINC000537066729 1072974779 /nfs/dbraw/zinc/97/47/79/1072974779.db2.gz NKRCMOFOQABOSB-AWEZNQCLSA-N 0 0 441.506 -0.045 20 30 IBEDRN C=CC[C@@H](CO)CNC(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 ZINC000537066730 1072975333 /nfs/dbraw/zinc/97/53/33/1072975333.db2.gz NKRCMOFOQABOSB-CQSZACIVSA-N 0 0 441.506 -0.045 20 30 IBEDRN N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCN(C(=O)C(=O)NC3CC3)CC2)CC1 ZINC000537161633 1072977562 /nfs/dbraw/zinc/97/75/62/1072977562.db2.gz RCCPKLVXXVSEJQ-KRWDZBQOSA-N 0 0 444.561 -0.120 20 30 IBEDRN N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCN(C(=O)C(=O)NC3CC3)CC2)CC1 ZINC000537161634 1072978089 /nfs/dbraw/zinc/97/80/89/1072978089.db2.gz RCCPKLVXXVSEJQ-QGZVFWFLSA-N 0 0 444.561 -0.120 20 30 IBEDRN COC(=O)C[C@@H]1C(=O)NCCN1CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000537258828 1072979328 /nfs/dbraw/zinc/97/93/28/1072979328.db2.gz HLGDXEKXCVLNGI-MSOLQXFVSA-N 0 0 431.468 -0.102 20 30 IBEDRN COC(=O)C[C@@H]1C(=O)NCCN1CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000537258852 1072979639 /nfs/dbraw/zinc/97/96/39/1072979639.db2.gz HLGDXEKXCVLNGI-QZTJIDSGSA-N 0 0 431.468 -0.102 20 30 IBEDRN COC(=O)C[C@H]1C(=O)NCCN1CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000537258853 1072979425 /nfs/dbraw/zinc/97/94/25/1072979425.db2.gz HLGDXEKXCVLNGI-ROUUACIJSA-N 0 0 431.468 -0.102 20 30 IBEDRN COC(=O)C[C@H]1C(=O)NCCN1CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000537258854 1072979511 /nfs/dbraw/zinc/97/95/11/1072979511.db2.gz HLGDXEKXCVLNGI-ZWKOTPCHSA-N 0 0 431.468 -0.102 20 30 IBEDRN COc1cc(C)nc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CC(N)=O)c2=O)c1 ZINC000537393280 1072985680 /nfs/dbraw/zinc/98/56/80/1072985680.db2.gz BEMUVFOMKHJESM-UHFFFAOYSA-N 0 0 429.502 -0.618 20 30 IBEDRN CNC(=O)C(C#N)=c1sc(=Cc2cc(OC)cc(C)n2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000537395210 1072985855 /nfs/dbraw/zinc/98/58/55/1072985855.db2.gz VTMBBJWRDIISKC-UHFFFAOYSA-N 0 0 449.492 -0.041 20 30 IBEDRN CCOCCn1c(=O)c(=Cc2cc(OC)cc(C)n2)sc1=C(C#N)C(=O)NCCOC ZINC000537395989 1072985789 /nfs/dbraw/zinc/98/57/89/1072985789.db2.gz QBSKULQKRGXKAH-UHFFFAOYSA-N 0 0 446.529 -0.076 20 30 IBEDRN C=CCNC(=O)CNC(=O)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000537443917 1072987478 /nfs/dbraw/zinc/98/74/78/1072987478.db2.gz AFSIXTIKKBISQH-UHFFFAOYSA-N 0 0 444.897 -0.282 20 30 IBEDRN C=CCNC(=O)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000537445771 1072987406 /nfs/dbraw/zinc/98/74/06/1072987406.db2.gz SOHSEBMEXDSQAS-KBPBESRZSA-N 0 0 438.506 -0.159 20 30 IBEDRN C=CCNC(=O)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000537445773 1072987425 /nfs/dbraw/zinc/98/74/25/1072987425.db2.gz SOHSEBMEXDSQAS-OKILXGFUSA-N 0 0 438.506 -0.159 20 30 IBEDRN C=CCNC(=O)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000537445776 1072987470 /nfs/dbraw/zinc/98/74/70/1072987470.db2.gz SOHSEBMEXDSQAS-ZIAGYGMSSA-N 0 0 438.506 -0.159 20 30 IBEDRN C=CCNC(=O)CNC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCOCC3)cc21 ZINC000537521095 1073003292 /nfs/dbraw/zinc/00/32/92/1073003292.db2.gz GGDPZLCQUGOADS-UHFFFAOYSA-N 0 0 434.474 -0.007 20 30 IBEDRN Cc1ccc(F)cc1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(CC(N)=O)c1=O ZINC000537567124 1070943547 /nfs/dbraw/zinc/94/35/47/1070943547.db2.gz GSRSXJRQJUCSEE-UHFFFAOYSA-N 0 0 430.461 -0.796 20 30 IBEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(S(N)(=O)=O)cn3)CC2)cc1 ZINC000537727515 1073118633 /nfs/dbraw/zinc/11/86/33/1073118633.db2.gz XMEBVWLDXXMZPD-UHFFFAOYSA-N 0 0 435.487 -0.253 20 30 IBEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])c(OC)c2)c(=O)n1CC(N)=O ZINC000537740137 1073119654 /nfs/dbraw/zinc/11/96/54/1073119654.db2.gz PQBMITYLXXCKKS-UHFFFAOYSA-N 0 0 443.441 -0.883 20 30 IBEDRN C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 ZINC000537830118 1073123714 /nfs/dbraw/zinc/12/37/14/1073123714.db2.gz KFJOCBXQXVVIJE-AWEZNQCLSA-N 0 0 447.459 -0.092 20 30 IBEDRN C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 ZINC000537830119 1073123800 /nfs/dbraw/zinc/12/38/00/1073123800.db2.gz KFJOCBXQXVVIJE-CQSZACIVSA-N 0 0 447.459 -0.092 20 30 IBEDRN CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)n1 ZINC000538069329 1073134075 /nfs/dbraw/zinc/13/40/75/1073134075.db2.gz ZEVBNEVDOVLTII-UHFFFAOYSA-N 0 0 435.466 -0.064 20 30 IBEDRN COCc1cc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)ncn1 ZINC000538077203 1071014464 /nfs/dbraw/zinc/01/44/64/1071014464.db2.gz RMIJVYQVESJHED-UHFFFAOYSA-N 0 0 444.473 -0.034 20 30 IBEDRN COCc1cc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)ncn1 ZINC000538077249 1073133086 /nfs/dbraw/zinc/13/30/86/1073133086.db2.gz SCHLXOCWMBWLJL-UHFFFAOYSA-N 0 0 444.473 -0.034 20 30 IBEDRN CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)n1 ZINC000538077830 1074363805 /nfs/dbraw/zinc/36/38/05/1074363805.db2.gz HGZQXVJTFDEJJM-UHFFFAOYSA-N 0 0 443.464 -0.732 20 30 IBEDRN COCCCS(=O)(=O)N1CCN(C(=O)C(=O)Nc2nn(C(C)C)cc2C#N)CC1 ZINC000538102484 1073332382 /nfs/dbraw/zinc/33/23/82/1073332382.db2.gz JIRASHOTYLQOKG-UHFFFAOYSA-N 0 0 426.499 -0.215 20 30 IBEDRN CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCN([C@@H](C)C(=O)N3CCOCC3)CC2)n1 ZINC000538103280 1073137667 /nfs/dbraw/zinc/13/76/67/1073137667.db2.gz UXVJOPQSEIASAG-HNNXBMFYSA-N 0 0 431.497 -0.334 20 30 IBEDRN CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCN([C@H](C)C(=O)N3CCOCC3)CC2)n1 ZINC000538103281 1073137634 /nfs/dbraw/zinc/13/76/34/1073137634.db2.gz UXVJOPQSEIASAG-OAHLLOKOSA-N 0 0 431.497 -0.334 20 30 IBEDRN COCCCNC(=O)[C@H](C)N1CCN(CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)CC1 ZINC000538138086 1073139372 /nfs/dbraw/zinc/13/93/72/1073139372.db2.gz CCYYYVCVFZZKDW-PMACEKPBSA-N 0 0 436.601 -0.162 20 30 IBEDRN COCCCNC(=O)[C@@H](C)N1CCN(CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)CC1 ZINC000538138093 1073139430 /nfs/dbraw/zinc/13/94/30/1073139430.db2.gz CCYYYVCVFZZKDW-UXHICEINSA-N 0 0 436.601 -0.162 20 30 IBEDRN COCCCNC(=O)[C@H](C)N1CCN(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)CC1 ZINC000538138094 1073139423 /nfs/dbraw/zinc/13/94/23/1073139423.db2.gz CCYYYVCVFZZKDW-VQTJNVASSA-N 0 0 436.601 -0.162 20 30 IBEDRN COCCCNC(=O)[C@@H](C)N1CCN(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)CC1 ZINC000538138095 1073139388 /nfs/dbraw/zinc/13/93/88/1073139388.db2.gz CCYYYVCVFZZKDW-WOJBJXKFSA-N 0 0 436.601 -0.162 20 30 IBEDRN C=CC[C@H](CO)CNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC ZINC000538166712 1073140647 /nfs/dbraw/zinc/14/06/47/1073140647.db2.gz CSBMOFAPSZWYIW-AWEZNQCLSA-N 0 0 441.506 -0.045 20 30 IBEDRN C=CC[C@@H](CO)CNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC ZINC000538166713 1073140754 /nfs/dbraw/zinc/14/07/54/1073140754.db2.gz CSBMOFAPSZWYIW-CQSZACIVSA-N 0 0 441.506 -0.045 20 30 IBEDRN COCCNC(=O)CN1CCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CC1 ZINC000538273039 1073145550 /nfs/dbraw/zinc/14/55/50/1073145550.db2.gz FGWRVXWTIGBZNQ-GOSISDBHSA-N 0 0 448.593 -0.163 20 30 IBEDRN COCCNC(=O)CN1CCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CC1 ZINC000538273040 1073145399 /nfs/dbraw/zinc/14/53/99/1073145399.db2.gz FGWRVXWTIGBZNQ-SFHVURJKSA-N 0 0 448.593 -0.163 20 30 IBEDRN N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCN(CCS(N)(=O)=O)CC2)CC1 ZINC000538349241 1073147566 /nfs/dbraw/zinc/14/75/66/1073147566.db2.gz OSUKRWAVSNFOBA-INIZCTEOSA-N 0 0 440.595 -0.637 20 30 IBEDRN N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCN(CCS(N)(=O)=O)CC2)CC1 ZINC000538349242 1073147672 /nfs/dbraw/zinc/14/76/72/1073147672.db2.gz OSUKRWAVSNFOBA-MRXNPFEDSA-N 0 0 440.595 -0.637 20 30 IBEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2ccc(S(N)(=O)=O)cn2)CC1 ZINC000538399429 1073149112 /nfs/dbraw/zinc/14/91/12/1073149112.db2.gz BDEJAVRGVLSSJW-UHFFFAOYSA-N 0 0 435.487 -0.253 20 30 IBEDRN C[C@H]1CN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)CCN1S(C)(=O)=O ZINC000538486367 1073313498 /nfs/dbraw/zinc/31/34/98/1073313498.db2.gz HQQFVVIPDUATOI-ZDUSSCGKSA-N 0 0 431.478 -0.371 20 30 IBEDRN COc1cc(C)nc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CC(N)=O)c2=O)c1 ZINC000538495442 1073153337 /nfs/dbraw/zinc/15/33/37/1073153337.db2.gz FHMQJXKGOVWZOT-UHFFFAOYSA-N 0 0 427.486 -0.767 20 30 IBEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cc(OC)cc(C)n3)c(=O)n2C)CC1 ZINC000538496753 1071052997 /nfs/dbraw/zinc/05/29/97/1071052997.db2.gz CMOQWZPDLAHVPV-UHFFFAOYSA-N 0 0 427.530 -0.174 20 30 IBEDRN C=CCNC(=O)CNC(=O)C(=O)Nc1ccc2c(ccn2CC(=O)N2CCOCC2)c1 ZINC000538547689 1073156953 /nfs/dbraw/zinc/15/69/53/1073156953.db2.gz AUROMKRQQYYBGD-UHFFFAOYSA-N 0 0 427.461 -0.143 20 30 IBEDRN C=CCNC(=O)CNC(=O)C(=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1 ZINC000538548305 1073156943 /nfs/dbraw/zinc/15/69/43/1073156943.db2.gz IZMVWGZTXXGPPR-UHFFFAOYSA-N 0 0 431.493 -0.283 20 30 IBEDRN C=CCNC(=O)CNC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 ZINC000538548709 1073157033 /nfs/dbraw/zinc/15/70/33/1073157033.db2.gz NXNGQIJASDBIDE-UHFFFAOYSA-N 0 0 428.442 -0.797 20 30 IBEDRN C=CCNC(=O)CNC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC000538558143 1073157021 /nfs/dbraw/zinc/15/70/21/1073157021.db2.gz YBQRRGCQKPHVCE-UHFFFAOYSA-N 0 0 437.478 -0.664 20 30 IBEDRN C=CCNC(=O)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCCN(C)CC2)c1 ZINC000538588983 1073157619 /nfs/dbraw/zinc/15/76/19/1073157619.db2.gz ZMYRWQMLSSQGKP-UHFFFAOYSA-N 0 0 437.522 -0.630 20 30 IBEDRN C=CCNC(=O)CNC(=O)C(=O)Nc1ccc(F)c(NC(=O)CCN2CCOCC2)c1 ZINC000538591076 1073157558 /nfs/dbraw/zinc/15/75/58/1073157558.db2.gz XRYMQYZIXSHOHA-UHFFFAOYSA-N 0 0 435.456 -0.157 20 30 IBEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cc(F)ccc2C)c(=O)n1CC(N)=O ZINC000538670234 1073158957 /nfs/dbraw/zinc/15/89/57/1073158957.db2.gz CTRXONASHDXILT-UHFFFAOYSA-N 0 0 432.477 -0.502 20 30 IBEDRN COc1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CC(N)=O)c2=O)ccc1[N+](=O)[O-] ZINC000538842514 1073165724 /nfs/dbraw/zinc/16/57/24/1073165724.db2.gz YQNWHOFBTUZCMY-UHFFFAOYSA-N 0 0 443.441 -0.906 20 30 IBEDRN CCOC(=O)C=c1sc(=Cc2ccc(F)c(C#N)c2)c(=O)n1CC(=O)NCCOC ZINC000538858421 1073166307 /nfs/dbraw/zinc/16/63/07/1073166307.db2.gz SAVAESXHJSRTND-UHFFFAOYSA-N 0 0 433.461 -0.144 20 30 IBEDRN CN(CCC#N)C(=O)CCN1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000538954209 1073170845 /nfs/dbraw/zinc/17/08/45/1073170845.db2.gz PUVCAUGYCAIYBF-UHFFFAOYSA-N 0 0 443.551 -0.598 20 30 IBEDRN CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)n1 ZINC000539133848 1073175289 /nfs/dbraw/zinc/17/52/89/1073175289.db2.gz YGTHBBXIJYWUIW-UHFFFAOYSA-N 0 0 429.481 -0.259 20 30 IBEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCSC[C@H]2C(N)=O)CC1 ZINC000539139181 1071061353 /nfs/dbraw/zinc/06/13/53/1071061353.db2.gz FAUQILDBWDAXMC-HNNXBMFYSA-N 0 0 437.547 -0.706 20 30 IBEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCSC[C@@H]2C(N)=O)CC1 ZINC000539139183 1073176132 /nfs/dbraw/zinc/17/61/32/1073176132.db2.gz FAUQILDBWDAXMC-OAHLLOKOSA-N 0 0 437.547 -0.706 20 30 IBEDRN CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)n1 ZINC000539168678 1073178166 /nfs/dbraw/zinc/17/81/66/1073178166.db2.gz VGUNSVOKAWNVJJ-UHFFFAOYSA-N 0 0 428.540 -0.057 20 30 IBEDRN COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)Nc2nn(C(C)C)cc2C#N)CC1 ZINC000539202827 1073331806 /nfs/dbraw/zinc/33/18/06/1073331806.db2.gz IUTIOFWNUWGEHK-HNNXBMFYSA-N 0 0 433.513 -0.040 20 30 IBEDRN COCCCNC(=O)[C@@H](C)N1CCN(C(=O)C(=O)Nc2nn(C(C)C)cc2C#N)CC1 ZINC000539202829 1073331916 /nfs/dbraw/zinc/33/19/16/1073331916.db2.gz IUTIOFWNUWGEHK-OAHLLOKOSA-N 0 0 433.513 -0.040 20 30 IBEDRN Cc1nc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3nn(C(C)C)cc3C#N)CC2)cn1C ZINC000539204370 1073350275 /nfs/dbraw/zinc/35/02/75/1073350275.db2.gz MPPFLUBFBHKFGK-UHFFFAOYSA-N 0 0 448.509 -0.151 20 30 IBEDRN COCCCS(=O)(=O)N1CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CC1 ZINC000539206438 1073332326 /nfs/dbraw/zinc/33/23/26/1073332326.db2.gz LQGFYZKYPSRRMI-UHFFFAOYSA-N 0 0 440.526 -0.041 20 30 IBEDRN COCCCS(=O)(=O)N1CCN(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)CC1 ZINC000539249028 1073185138 /nfs/dbraw/zinc/18/51/38/1073185138.db2.gz MTGMUAINBGFZOW-GOSISDBHSA-N 0 0 429.587 -0.337 20 30 IBEDRN COCCCS(=O)(=O)N1CCN(CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)CC1 ZINC000539249035 1073185179 /nfs/dbraw/zinc/18/51/79/1073185179.db2.gz MTGMUAINBGFZOW-SFHVURJKSA-N 0 0 429.587 -0.337 20 30 IBEDRN CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCN([C@@H](C)C(=O)N3CCOCC3)CC2)CC1 ZINC000539249812 1073185282 /nfs/dbraw/zinc/18/52/82/1073185282.db2.gz SYTSURWBYRCSGX-PMACEKPBSA-N 0 0 434.585 -0.456 20 30 IBEDRN CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCN([C@H](C)C(=O)N3CCOCC3)CC2)CC1 ZINC000539249813 1073185335 /nfs/dbraw/zinc/18/53/35/1073185335.db2.gz SYTSURWBYRCSGX-UXHICEINSA-N 0 0 434.585 -0.456 20 30 IBEDRN CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCN([C@@H](C)C(=O)N3CCOCC3)CC2)CC1 ZINC000539249814 1073185322 /nfs/dbraw/zinc/18/53/22/1073185322.db2.gz SYTSURWBYRCSGX-VQTJNVASSA-N 0 0 434.585 -0.456 20 30 IBEDRN CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCN([C@H](C)C(=O)N3CCOCC3)CC2)CC1 ZINC000539249815 1073185222 /nfs/dbraw/zinc/18/52/22/1073185222.db2.gz SYTSURWBYRCSGX-WOJBJXKFSA-N 0 0 434.585 -0.456 20 30 IBEDRN Cn1nccc1C=c1sc(=C(C#N)C(=O)c2cccc([N+](=O)[O-])c2)n(CC(N)=O)c1=O ZINC000539367838 1073190752 /nfs/dbraw/zinc/19/07/52/1073190752.db2.gz XUYSMASYOVYBCT-UHFFFAOYSA-N 0 0 438.425 -0.577 20 30 IBEDRN N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCN3C(=O)C(=O)NC[C@@H]3C2)CC1 ZINC000539452535 1072447879 /nfs/dbraw/zinc/44/78/79/1072447879.db2.gz BVAPHCUVGNBKQS-MSOLQXFVSA-N 0 0 428.468 -0.823 20 30 IBEDRN N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCN3C(=O)C(=O)NC[C@@H]3C2)CC1 ZINC000539452536 1072447970 /nfs/dbraw/zinc/44/79/70/1072447970.db2.gz BVAPHCUVGNBKQS-QZTJIDSGSA-N 0 0 428.468 -0.823 20 30 IBEDRN N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCN3C(=O)C(=O)NC[C@H]3C2)CC1 ZINC000539452537 1072448725 /nfs/dbraw/zinc/44/87/25/1072448725.db2.gz BVAPHCUVGNBKQS-ROUUACIJSA-N 0 0 428.468 -0.823 20 30 IBEDRN N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCN3C(=O)C(=O)NC[C@H]3C2)CC1 ZINC000539452538 1072448679 /nfs/dbraw/zinc/44/86/79/1072448679.db2.gz BVAPHCUVGNBKQS-ZWKOTPCHSA-N 0 0 428.468 -0.823 20 30 IBEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2ccc(S(N)(=O)=O)nc2)CC1 ZINC000539500369 1072452244 /nfs/dbraw/zinc/45/22/44/1072452244.db2.gz FFILHDHVNIGLNB-UHFFFAOYSA-N 0 0 435.487 -0.253 20 30 IBEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2cc(OC)cc(C)n2)c(=O)n1CC(N)=O ZINC000539595921 1072459654 /nfs/dbraw/zinc/45/96/54/1072459654.db2.gz NDTHZHHWGAFJCA-UHFFFAOYSA-N 0 0 429.502 -0.474 20 30 IBEDRN C=CCNC(=O)CNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC ZINC000539649272 1072464443 /nfs/dbraw/zinc/46/44/43/1072464443.db2.gz JVBYTSROPLMQKJ-UHFFFAOYSA-N 0 0 440.478 -0.927 20 30 IBEDRN C=CCNC(=O)CNC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C ZINC000539694680 1072465614 /nfs/dbraw/zinc/46/56/14/1072465614.db2.gz GOCMFURUMWUYTQ-UHFFFAOYSA-N 0 0 449.533 -0.055 20 30 IBEDRN C=CCNC(=O)CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)cc(OC)c1OC ZINC000539723324 1072466715 /nfs/dbraw/zinc/46/67/15/1072466715.db2.gz GPJMIZFJJFNNIR-UHFFFAOYSA-N 0 0 427.479 -0.243 20 30 IBEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cc(F)ccc2C)c(=O)n1CC(N)=O ZINC000539770402 1072467932 /nfs/dbraw/zinc/46/79/32/1072467932.db2.gz XKEFJSJKQJXHQX-UHFFFAOYSA-N 0 0 446.504 -0.112 20 30 IBEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC(O)(C(=O)OC)CC2)cc1 ZINC000539866239 1072472098 /nfs/dbraw/zinc/47/20/98/1072472098.db2.gz AEOFUZHWWNUUMF-UHFFFAOYSA-N 0 0 439.490 -0.042 20 30 IBEDRN COc1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C)c2=O)ccc1[N+](=O)[O-] ZINC000539941594 1072475486 /nfs/dbraw/zinc/47/54/86/1072475486.db2.gz KIYYQUMKOMASBJ-UHFFFAOYSA-N 0 0 430.442 -0.275 20 30 IBEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])c(OC)c2)c(=O)n1CC(N)=O ZINC000539942797 1072475645 /nfs/dbraw/zinc/47/56/45/1072475645.db2.gz WSNGJIRGDMNOTM-UHFFFAOYSA-N 0 0 445.457 -0.659 20 30 IBEDRN CCOC(=O)c1cnn(CCC#N)c1NC(=O)Cn1ccc2c1n(C)c(=O)n(C)c2=O ZINC000540103470 1072480932 /nfs/dbraw/zinc/48/09/32/1072480932.db2.gz NMXFQPJACWPDGQ-UHFFFAOYSA-N 0 0 427.421 -0.036 20 30 IBEDRN CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)n1 ZINC000540237184 1074365293 /nfs/dbraw/zinc/36/52/93/1074365293.db2.gz WPVYIXNFMSVORC-UHFFFAOYSA-N 0 0 431.497 -0.549 20 30 IBEDRN CC(C)n1cc(C#N)c(NC(=O)C(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)n1 ZINC000540258834 1073323508 /nfs/dbraw/zinc/32/35/08/1073323508.db2.gz MRROOVWVQOTBRS-AWEZNQCLSA-N 0 0 426.499 -0.121 20 30 IBEDRN CC(C)n1cc(C#N)c(NC(=O)C(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)n1 ZINC000540258838 1073323625 /nfs/dbraw/zinc/32/36/25/1073323625.db2.gz MRROOVWVQOTBRS-CQSZACIVSA-N 0 0 426.499 -0.121 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(Br)c(=O)n(C)c2)CC1 ZINC000540266572 1072485595 /nfs/dbraw/zinc/48/55/95/1072485595.db2.gz GPQWCNLMVSWTSO-UHFFFAOYSA-N 0 0 440.298 -0.467 20 30 IBEDRN CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)n1 ZINC000540278406 1074365209 /nfs/dbraw/zinc/36/52/09/1074365209.db2.gz QVIVZJYMMXBFIQ-UHFFFAOYSA-N 0 0 429.437 -0.906 20 30 IBEDRN CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 ZINC000540296616 1072487284 /nfs/dbraw/zinc/48/72/84/1072487284.db2.gz VZCHGAWCZBJCHB-DLBZAZTESA-N 0 0 427.571 -0.696 20 30 IBEDRN CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 ZINC000540296617 1072487364 /nfs/dbraw/zinc/48/73/64/1072487364.db2.gz VZCHGAWCZBJCHB-IAGOWNOFSA-N 0 0 427.571 -0.696 20 30 IBEDRN CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 ZINC000540296618 1072487391 /nfs/dbraw/zinc/48/73/91/1072487391.db2.gz VZCHGAWCZBJCHB-IRXDYDNUSA-N 0 0 427.571 -0.696 20 30 IBEDRN CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 ZINC000540296619 1072487256 /nfs/dbraw/zinc/48/72/56/1072487256.db2.gz VZCHGAWCZBJCHB-SJORKVTESA-N 0 0 427.571 -0.696 20 30 IBEDRN COc1ncnc(N(C)C)c1NC(=O)C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C ZINC000540381127 1072497359 /nfs/dbraw/zinc/49/73/59/1072497359.db2.gz SUDLNOHJWRIFKQ-GFCCVEGCSA-N 0 0 425.453 -0.111 20 30 IBEDRN COc1ncnc(N(C)C)c1NC(=O)C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000540381130 1072497261 /nfs/dbraw/zinc/49/72/61/1072497261.db2.gz SUDLNOHJWRIFKQ-LBPRGKRZSA-N 0 0 425.453 -0.111 20 30 IBEDRN N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)Cn2cc(S(N)(=O)=O)cn2)CC1 ZINC000540598611 1072508238 /nfs/dbraw/zinc/50/82/38/1072508238.db2.gz DCXSXCYWXNRJMB-UHFFFAOYSA-N 0 0 431.434 -0.001 20 30 IBEDRN COc1cc(C)nc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(CC(N)=O)c2=O)c1 ZINC000540695081 1072513362 /nfs/dbraw/zinc/51/33/62/1072513362.db2.gz TXUBDMKGHPAVJZ-UHFFFAOYSA-N 0 0 441.513 -0.331 20 30 IBEDRN CNC(=O)C(C#N)=c1sc(=Cc2cc(OC)cc(C)n2)c(=O)n1CCN1CCOCC1 ZINC000540696727 1072513384 /nfs/dbraw/zinc/51/33/84/1072513384.db2.gz UKPAPDGPQKFTSX-UHFFFAOYSA-N 0 0 443.529 -0.797 20 30 IBEDRN COc1cc(C)nc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C)c2=O)c1 ZINC000540696958 1072513528 /nfs/dbraw/zinc/51/35/28/1072513528.db2.gz YKAMJQZVUACQFD-UHFFFAOYSA-N 0 0 443.529 -0.890 20 30 IBEDRN C=CCNC(=O)CNc1ccc(S(=O)(=O)NCCN2CCOCC2)cc1[N+](=O)[O-] ZINC000540710942 1072514048 /nfs/dbraw/zinc/51/40/48/1072514048.db2.gz TUXWUBULFSVLKE-UHFFFAOYSA-N 0 0 427.483 -0.081 20 30 IBEDRN C=CCNC(=O)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCN(CC)CC2)c1 ZINC000540788628 1072515629 /nfs/dbraw/zinc/51/56/29/1072515629.db2.gz FALMGPHXADNURH-UHFFFAOYSA-N 0 0 437.522 -0.630 20 30 IBEDRN C=CCNC(=O)CNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000540799230 1072516400 /nfs/dbraw/zinc/51/64/00/1072516400.db2.gz BYVOBWSZMXTHPX-UHFFFAOYSA-N 0 0 440.497 -0.143 20 30 IBEDRN CN(C)C(=O)NCCN(C)CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000540827453 1072517198 /nfs/dbraw/zinc/51/71/98/1072517198.db2.gz JGRYVDVQBXHJGL-UHFFFAOYSA-N 0 0 436.538 -0.406 20 30 IBEDRN Cc1ccc(F)cc1C=c1sc(=C(C#N)C(=O)N2CCSCC2)n(CC(N)=O)c1=O ZINC000540869037 1072518742 /nfs/dbraw/zinc/51/87/42/1072518742.db2.gz LYHQKXKAAXPZEZ-UHFFFAOYSA-N 0 0 446.529 -0.079 20 30 IBEDRN C[C@H](CNC(=O)C(=O)N1CCN(c2c(C#N)cnc3ccccc32)CC1)S(N)(=O)=O ZINC000541030825 1072529183 /nfs/dbraw/zinc/52/91/83/1072529183.db2.gz YALCFPBTEVNCSB-CYBMUJFWSA-N 0 0 430.490 -0.452 20 30 IBEDRN C[C@@H](CNC(=O)C(=O)N1CCN(c2c(C#N)cnc3ccccc32)CC1)S(N)(=O)=O ZINC000541030826 1072528579 /nfs/dbraw/zinc/52/85/79/1072528579.db2.gz YALCFPBTEVNCSB-ZDUSSCGKSA-N 0 0 430.490 -0.452 20 30 IBEDRN CNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])s2)c(=O)n1CCN1CCOCC1 ZINC000541073649 1072530000 /nfs/dbraw/zinc/53/00/00/1072530000.db2.gz HHNNYUYTHABCAW-UHFFFAOYSA-N 0 0 449.514 -0.539 20 30 IBEDRN CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])s2)c(=O)n1CC(N)=O ZINC000541083365 1072530777 /nfs/dbraw/zinc/53/07/77/1072530777.db2.gz JYNZBBJCCUUZJG-UHFFFAOYSA-N 0 0 435.487 -0.360 20 30 IBEDRN CN(C)C(=O)Cn1cnc(NC(=O)C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)n1 ZINC000541138561 1072531798 /nfs/dbraw/zinc/53/17/98/1072531798.db2.gz MHQJJUNFKNNYAY-UHFFFAOYSA-N 0 0 428.428 -0.336 20 30 IBEDRN N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccc([N+](=O)[O-])cc2Cl)c(=O)n1CC(N)=O ZINC000541289617 1072536955 /nfs/dbraw/zinc/53/69/55/1072536955.db2.gz AEVYMOIJAMWWBX-UHFFFAOYSA-N 0 0 447.860 -0.262 20 30 IBEDRN C=CCNC(=O)CN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)OC)CC1 ZINC000541325733 1072537578 /nfs/dbraw/zinc/53/75/78/1072537578.db2.gz RGWHASPUFOHMQN-UHFFFAOYSA-N 0 0 426.451 -0.010 20 30 IBEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Cn2nc3cnccn3c2=O)CC1 ZINC000541409051 1072539860 /nfs/dbraw/zinc/53/98/60/1072539860.db2.gz HPBDZJCUXPMRAI-UHFFFAOYSA-N 0 0 427.446 -0.704 20 30 IBEDRN C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)cc1 ZINC000541673000 1072547493 /nfs/dbraw/zinc/54/74/93/1072547493.db2.gz QJBOVSTVHGGSAB-UHFFFAOYSA-N 0 0 443.504 -0.456 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cccc3c2CCN3S(C)(=O)=O)CC1 ZINC000541698419 1072549038 /nfs/dbraw/zinc/54/90/38/1072549038.db2.gz XEZOXPVHTKLMTH-UHFFFAOYSA-N 0 0 449.533 -0.606 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)Nc2ccnc(C(=O)N3CCN(C)CC3)c2)CC1 ZINC000541757184 1072551673 /nfs/dbraw/zinc/55/16/73/1072551673.db2.gz NGQZJZWDFZXQLW-UHFFFAOYSA-N 0 0 429.525 -0.079 20 30 IBEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2C)c(=O)n1CC(N)=O ZINC000541799466 1072552191 /nfs/dbraw/zinc/55/21/91/1072552191.db2.gz IXSHFBHTGPAAQM-UHFFFAOYSA-N 0 0 427.442 -0.583 20 30 IBEDRN Cc1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CC(N)=O)c2=O)ccc1Cl ZINC000541864094 1072554354 /nfs/dbraw/zinc/55/43/54/1072554354.db2.gz BXOJWUGFWYUTRA-UHFFFAOYSA-N 0 0 446.916 -0.281 20 30 IBEDRN Cc1cc(NC(=O)C(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)n(CCC#N)n1 ZINC000541877483 1072555527 /nfs/dbraw/zinc/55/55/27/1072555527.db2.gz SQIMZNLHOTZKSN-HNNXBMFYSA-N 0 0 438.510 -0.303 20 30 IBEDRN Cc1cc(NC(=O)C(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)n(CCC#N)n1 ZINC000541877484 1072555485 /nfs/dbraw/zinc/55/54/85/1072555485.db2.gz SQIMZNLHOTZKSN-OAHLLOKOSA-N 0 0 438.510 -0.303 20 30 IBEDRN Cn1c(=O)c(=Cc2ccc([N+](=O)[O-])s2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000542005344 1072562192 /nfs/dbraw/zinc/56/21/92/1072562192.db2.gz JXOIIKRLJOKYOK-UHFFFAOYSA-N 0 0 449.514 -0.632 20 30 IBEDRN N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2ccc([N+](=O)[O-])s2)c(=O)n1CC(N)=O ZINC000542013778 1072562069 /nfs/dbraw/zinc/56/20/69/1072562069.db2.gz PJUGWRHJOGXERN-UHFFFAOYSA-N 0 0 447.498 -0.073 20 30 IBEDRN CN(C)C(=O)Cn1cnc(NC(=O)C(=O)N2CCN(c3cccc(F)c3C#N)CC2)n1 ZINC000542084199 1072563948 /nfs/dbraw/zinc/56/39/48/1072563948.db2.gz VIBBHJWKEMFUNN-UHFFFAOYSA-N 0 0 428.428 -0.336 20 30 IBEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(-n3ccnc3)cs2)c(=O)n1CC(N)=O ZINC000542217571 1072570799 /nfs/dbraw/zinc/57/07/99/1072570799.db2.gz KJEAVPFXBNZVIE-UHFFFAOYSA-N 0 0 440.510 -0.552 20 30 IBEDRN COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(C(=O)C(=O)NC(C)C)CC1 ZINC000542302193 1072574713 /nfs/dbraw/zinc/57/47/13/1072574713.db2.gz FKGSWXDNYQCHCV-UHFFFAOYSA-N 0 0 445.476 -0.283 20 30 IBEDRN CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)n1 ZINC000542599673 1074368985 /nfs/dbraw/zinc/36/89/85/1074368985.db2.gz IXDHKJFMJGTZAG-UHFFFAOYSA-N 0 0 431.497 -0.549 20 30 IBEDRN CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000542602273 1072749020 /nfs/dbraw/zinc/74/90/20/1072749020.db2.gz XYWSBEXRJXANBM-UHFFFAOYSA-N 0 0 429.477 -0.102 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cccc3c2CCN3C(=O)COC)CC1 ZINC000542627947 1073037317 /nfs/dbraw/zinc/03/73/17/1073037317.db2.gz TXIIOUBJWQRKSY-UHFFFAOYSA-N 0 0 443.504 -0.393 20 30 IBEDRN Cc1cc([N+](=O)[O-])ccc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(CC(N)=O)c1=O ZINC000542726844 1073139053 /nfs/dbraw/zinc/13/90/53/1073139053.db2.gz HJWZCKRZIZTMDO-UHFFFAOYSA-N 0 0 427.442 -0.607 20 30 IBEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2C)c(=O)n1CC(N)=O ZINC000542727804 1073138499 /nfs/dbraw/zinc/13/84/99/1073138499.db2.gz LPJFXPVHFGOCAJ-UHFFFAOYSA-N 0 0 429.458 -0.359 20 30 IBEDRN CN(CCCc1[nH]nc(N)c1C#N)C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 ZINC000542830334 1073146919 /nfs/dbraw/zinc/14/69/19/1073146919.db2.gz KBFCPJBTZXBCPK-UHFFFAOYSA-N 0 0 440.512 -0.034 20 30 IBEDRN Cn1cc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)ccc1=O ZINC000542888386 1073153849 /nfs/dbraw/zinc/15/38/49/1073153849.db2.gz TUEZWERUVBHZMV-UHFFFAOYSA-N 0 0 429.458 -0.271 20 30 IBEDRN N#CCC1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CC1 ZINC000542898788 1073155583 /nfs/dbraw/zinc/15/55/83/1073155583.db2.gz XBDLVELXYIDORR-UHFFFAOYSA-N 0 0 433.490 -0.102 20 30 IBEDRN CNC(=O)[C@@H]1CN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CCO1 ZINC000542918391 1073158723 /nfs/dbraw/zinc/15/87/23/1073158723.db2.gz CNKUBHOJRAZINS-INIZCTEOSA-N 0 0 428.449 -0.098 20 30 IBEDRN CNC(=O)[C@H]1CN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CCO1 ZINC000542918392 1073158739 /nfs/dbraw/zinc/15/87/39/1073158739.db2.gz CNKUBHOJRAZINS-MRXNPFEDSA-N 0 0 428.449 -0.098 20 30 IBEDRN COC(=O)COc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C)c2=O)cc1 ZINC000542933590 1073160914 /nfs/dbraw/zinc/16/09/14/1073160914.db2.gz POUHNVVZAZYNAV-UHFFFAOYSA-N 0 0 443.481 -0.640 20 30 IBEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OCC(=O)OC)cc2)c(=O)n1C ZINC000542934764 1073160453 /nfs/dbraw/zinc/16/04/53/1073160453.db2.gz UADIFGUFMHPOKZ-UHFFFAOYSA-N 0 0 445.497 -0.346 20 30 IBEDRN N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccc([N+](=O)[O-])s2)c(=O)n1CC(N)=O ZINC000542940932 1073162336 /nfs/dbraw/zinc/16/23/36/1073162336.db2.gz RPALLNADFBAIHL-UHFFFAOYSA-N 0 0 433.471 -0.510 20 30 IBEDRN CNC(=O)Cn1cnc(NC(=O)C(=O)N2CCN(c3c(C#N)cnc4ccccc43)CC2)n1 ZINC000542996873 1073185385 /nfs/dbraw/zinc/18/53/85/1073185385.db2.gz IMYOYEQVFNJLDU-UHFFFAOYSA-N 0 0 447.459 -0.269 20 30 IBEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)cc3c2OCC3)c(=O)n1CC(N)=O ZINC000543020755 1073190409 /nfs/dbraw/zinc/19/04/09/1073190409.db2.gz CPTFYSMXDBGHSX-UHFFFAOYSA-N 0 0 444.900 -0.211 20 30 IBEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2Cl)c(=O)n1CC(N)=O ZINC000543146888 1073203242 /nfs/dbraw/zinc/20/32/42/1073203242.db2.gz GIGULGDAFJHLKO-UHFFFAOYSA-N 0 0 449.876 -0.014 20 30 IBEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2Cl)c(=O)n1CC(N)=O ZINC000543147462 1073203304 /nfs/dbraw/zinc/20/33/04/1073203304.db2.gz PHBWOUPYXPKCCV-UHFFFAOYSA-N 0 0 447.860 -0.238 20 30 IBEDRN N#CC(C(=O)NC1CC1)=c1sc(=Cc2cc(-n3ccnc3)cs2)c(=O)n1CC(N)=O ZINC000543148351 1073203200 /nfs/dbraw/zinc/20/32/00/1073203200.db2.gz DHSZCAOPSWJFAV-UHFFFAOYSA-N 0 0 440.510 -0.576 20 30 IBEDRN COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(c2nccn(C)c2=O)CC1 ZINC000543218239 1073209272 /nfs/dbraw/zinc/20/92/72/1073209272.db2.gz APHPEOPYKBQRPR-UHFFFAOYSA-N 0 0 440.460 -0.036 20 30 IBEDRN COCCOc1ccc(C#N)cc1NC(=O)C(=O)NCCC(=O)N1CCN(C(C)=O)CC1 ZINC000543256758 1073210461 /nfs/dbraw/zinc/21/04/61/1073210461.db2.gz CDUJJQFBFQBHBO-UHFFFAOYSA-N 0 0 445.476 -0.281 20 30 IBEDRN CCOC(=O)c1cn(C)nc1NC(=O)C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C ZINC000543267483 1073211322 /nfs/dbraw/zinc/21/13/22/1073211322.db2.gz ZGCPBAZTTIFBPS-GFCCVEGCSA-N 0 0 426.437 -0.066 20 30 IBEDRN CCOC(=O)c1cn(C)nc1NC(=O)C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000543267484 1073211288 /nfs/dbraw/zinc/21/12/88/1073211288.db2.gz ZGCPBAZTTIFBPS-LBPRGKRZSA-N 0 0 426.437 -0.066 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccccc2CN2CCNC2=O)CC1 ZINC000543553823 1073257216 /nfs/dbraw/zinc/25/72/16/1073257216.db2.gz IVILUOYLOCFBRM-UHFFFAOYSA-N 0 0 428.493 -0.403 20 30 IBEDRN Cc1cc([N+](=O)[O-])ccc1C=c1sc(=C(C#N)C(=O)NC(C)C)n(CC(N)=O)c1=O ZINC000543655854 1073343398 /nfs/dbraw/zinc/34/33/98/1073343398.db2.gz DBHQMGCUOOCYAY-UHFFFAOYSA-N 0 0 429.458 -0.361 20 30 IBEDRN Cc1cc([N+](=O)[O-])ccc1C=c1sc(=C(C#N)C(=O)NCC(C)C)n(CC(N)=O)c1=O ZINC000543657791 1073345656 /nfs/dbraw/zinc/34/56/56/1073345656.db2.gz QHPSDQLSLXXBPK-UHFFFAOYSA-N 0 0 443.485 -0.113 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)[C@@H](C)O)CC1 ZINC000543716168 1074454932 /nfs/dbraw/zinc/45/49/32/1074454932.db2.gz FYYXMCKKQAJBHH-APWZRJJASA-N 0 0 438.550 -0.531 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)[C@H](C)O)CC1 ZINC000543716169 1074454821 /nfs/dbraw/zinc/45/48/21/1074454821.db2.gz FYYXMCKKQAJBHH-LPHOPBHVSA-N 0 0 438.550 -0.531 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)[C@H](NS(=O)(=O)c2ccc(C)cc2)[C@H](C)O)CC1 ZINC000543716170 1074454807 /nfs/dbraw/zinc/45/48/07/1074454807.db2.gz FYYXMCKKQAJBHH-QFBILLFUSA-N 0 0 438.550 -0.531 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)[C@H](NS(=O)(=O)c2ccc(C)cc2)[C@@H](C)O)CC1 ZINC000543716172 1074454903 /nfs/dbraw/zinc/45/49/03/1074454903.db2.gz FYYXMCKKQAJBHH-VQIMIIECSA-N 0 0 438.550 -0.531 20 30 IBEDRN CN(CCCc1[nH]nc(N)c1C#N)C(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 ZINC000543757642 1073357420 /nfs/dbraw/zinc/35/74/20/1073357420.db2.gz ZUBKUSKWJTVGCZ-CYBMUJFWSA-N 0 0 427.531 -0.074 20 30 IBEDRN CN(CCCc1[nH]nc(N)c1C#N)C(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000543757643 1073357487 /nfs/dbraw/zinc/35/74/87/1073357487.db2.gz ZUBKUSKWJTVGCZ-ZDUSSCGKSA-N 0 0 427.531 -0.074 20 30 IBEDRN CNC(=O)[C@H]1CN(c2cc(C#N)c([N+](=O)[O-])c(N3CCO[C@H](C(=O)NC)C3)c2)CCO1 ZINC000543801692 1074488231 /nfs/dbraw/zinc/48/82/31/1074488231.db2.gz TVYOSRXCSHCULD-CVEARBPZSA-N 0 0 432.437 -0.631 20 30 IBEDRN CNC(=O)[C@@H]1CN(c2cc(C#N)c([N+](=O)[O-])c(N3CCO[C@H](C(=O)NC)C3)c2)CCO1 ZINC000543801693 1074488112 /nfs/dbraw/zinc/48/81/12/1074488112.db2.gz TVYOSRXCSHCULD-HOTGVXAUSA-N 0 0 432.437 -0.631 20 30 IBEDRN CNC(=O)[C@H]1CN(c2cc(C#N)c([N+](=O)[O-])c(N3CCO[C@@H](C(=O)NC)C3)c2)CCO1 ZINC000543801694 1074488160 /nfs/dbraw/zinc/48/81/60/1074488160.db2.gz TVYOSRXCSHCULD-HZPDHXFCSA-N 0 0 432.437 -0.631 20 30 IBEDRN CNC(=O)[C@H]1CN(c2cc(N3CCO[C@H](C(=O)NC)C3)cc(C#N)c2[N+](=O)[O-])CCO1 ZINC000543801695 1074488223 /nfs/dbraw/zinc/48/82/23/1074488223.db2.gz TVYOSRXCSHCULD-JKSUJKDBSA-N 0 0 432.437 -0.631 20 30 IBEDRN Cn1cc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)ccc1=O ZINC000543819125 1074508227 /nfs/dbraw/zinc/50/82/27/1074508227.db2.gz RGRJNCZGIMDUDE-UHFFFAOYSA-N 0 0 429.458 -0.271 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OCC(=O)OC)cc2)c(=O)n1C ZINC000543861412 1072226414 /nfs/dbraw/zinc/22/64/14/1072226414.db2.gz PAOIJKRRSDXEBM-UHFFFAOYSA-N 0 0 431.470 -0.736 20 30 IBEDRN COC(=O)COc1ccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CC(N)=O)c2=O)cc1 ZINC000543867093 1072264926 /nfs/dbraw/zinc/26/49/26/1072264926.db2.gz UPFQKWSIALLZCF-UHFFFAOYSA-N 0 0 443.481 -0.325 20 30 IBEDRN CCn1c(=O)c(=Cc2ccc(OCC(=O)OC)cc2)sc1=C(C#N)C(=O)NCCOC ZINC000543867115 1074510430 /nfs/dbraw/zinc/51/04/30/1074510430.db2.gz VOUUYLLJWGTTIB-UHFFFAOYSA-N 0 0 445.497 -0.253 20 30 IBEDRN CCOCCn1c(=O)c(=Cc2ccc(OCC(=O)OC)cc2)sc1=C(C#N)C(=O)NC ZINC000543868166 1074510938 /nfs/dbraw/zinc/51/09/38/1074510938.db2.gz IKDOLCAQEVUQES-UHFFFAOYSA-N 0 0 445.497 -0.253 20 30 IBEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])s2)c(=O)n1CC(N)=O ZINC000543869652 1074511034 /nfs/dbraw/zinc/51/10/34/1074511034.db2.gz FEBYOBXOWIGSCJ-UHFFFAOYSA-N 0 0 435.487 -0.216 20 30 IBEDRN N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3CCN(CCS(N)(=O)=O)CC3)n2)c(F)c1 ZINC000543932451 1074372414 /nfs/dbraw/zinc/37/24/14/1074372414.db2.gz FIUMPWSNUDBWKG-UHFFFAOYSA-N 0 0 449.468 -0.746 20 30 IBEDRN CN(C)C(=O)Cn1cnc(NC(=O)C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)n1 ZINC000543941481 1073305245 /nfs/dbraw/zinc/30/52/45/1073305245.db2.gz QDZYABAIBXOVGN-UHFFFAOYSA-N 0 0 438.492 -0.089 20 30 IBEDRN COc1ncncc1NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000543944527 1072304475 /nfs/dbraw/zinc/30/44/75/1072304475.db2.gz MUYQNCYKDQXEQQ-UHFFFAOYSA-N 0 0 430.446 -0.172 20 30 IBEDRN N#CC(C(=O)NC1CC1)=c1sc(=Cc2cc(Cl)cc3c2OCC3)c(=O)n1CC(N)=O ZINC000543952791 1074514824 /nfs/dbraw/zinc/51/48/24/1074514824.db2.gz VHESWRRJTDPDDS-UHFFFAOYSA-N 0 0 444.900 -0.235 20 30 IBEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2cc(-n3ccnc3)cs2)c(=O)n1CC(N)=O ZINC000544077830 1074525448 /nfs/dbraw/zinc/52/54/48/1074525448.db2.gz QETOBONHUAYPDW-UHFFFAOYSA-N 0 0 442.526 -0.330 20 30 IBEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cc(-n3ccnc3)cs2)c(=O)n1CC(N)=O ZINC000544079846 1074525409 /nfs/dbraw/zinc/52/54/09/1074525409.db2.gz VVBDDQQIQIDXGA-UHFFFAOYSA-N 0 0 442.526 -0.328 20 30 IBEDRN COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000544158567 1074527988 /nfs/dbraw/zinc/52/79/88/1074527988.db2.gz BSHYYIRSNWTKBN-UHFFFAOYSA-N 0 0 443.460 -0.529 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2OCCOC)CC1 ZINC000544160283 1074528004 /nfs/dbraw/zinc/52/80/04/1074528004.db2.gz WHMUKFLZKSKRQG-UHFFFAOYSA-N 0 0 429.477 -0.032 20 30 IBEDRN CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)C(=O)Nc1cc(C#N)ccc1OCCOC ZINC000544161058 1074527949 /nfs/dbraw/zinc/52/79/49/1074527949.db2.gz UHEOCBLUAISQNE-HNNXBMFYSA-N 0 0 431.449 -0.625 20 30 IBEDRN CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)C(=O)Nc1cc(C#N)ccc1OCCOC ZINC000544161062 1074527995 /nfs/dbraw/zinc/52/79/95/1074527995.db2.gz UHEOCBLUAISQNE-OAHLLOKOSA-N 0 0 431.449 -0.625 20 30 IBEDRN C=CCn1c(Cc2noc(/C=C/c3cn(C)c(=O)n(C)c3=O)n2)nnc1N1CCOCC1 ZINC000544263114 1074533849 /nfs/dbraw/zinc/53/38/49/1074533849.db2.gz JITPDRPYXOTFDS-AATRIKPKSA-N 0 0 440.464 -0.158 20 30 IBEDRN C=CCn1c(Cc2noc(/C=C\c3cn(C)c(=O)n(C)c3=O)n2)nnc1N1CCOCC1 ZINC000544263121 1074533859 /nfs/dbraw/zinc/53/38/59/1074533859.db2.gz JITPDRPYXOTFDS-WAYWQWQTSA-N 0 0 440.464 -0.158 20 30 IBEDRN CN(C(=O)Cn1cnc(C#N)n1)[C@H](CNC(=O)Cn1cnc(C#N)n1)Cc1ccccc1 ZINC000544270702 1074533757 /nfs/dbraw/zinc/53/37/57/1074533757.db2.gz IUYOAORWAFDJIW-INIZCTEOSA-N 0 0 432.448 -0.501 20 30 IBEDRN CN(C(=O)Cn1cnc(C#N)n1)[C@@H](CNC(=O)Cn1cnc(C#N)n1)Cc1ccccc1 ZINC000544270703 1074533873 /nfs/dbraw/zinc/53/38/73/1074533873.db2.gz IUYOAORWAFDJIW-MRXNPFEDSA-N 0 0 432.448 -0.501 20 30 IBEDRN C=CCn1c(Cc2noc(CN3CCN(CC)C(=O)C3=O)n2)nnc1N1CCOCC1 ZINC000544280491 1074534175 /nfs/dbraw/zinc/53/41/75/1074534175.db2.gz QGVJTXDYTWHPNS-UHFFFAOYSA-N 0 0 430.469 -0.535 20 30 IBEDRN C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN(S(=O)(=O)c3nc[nH]n3)CC2)c1 ZINC000544355335 1074535536 /nfs/dbraw/zinc/53/55/36/1074535536.db2.gz NPVMDDXBWWSTGM-UHFFFAOYSA-N 0 0 440.507 -0.584 20 30 IBEDRN C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(S(=O)(=O)c3nc[nH]n3)CC2)cc1 ZINC000544364723 1074535529 /nfs/dbraw/zinc/53/55/29/1074535529.db2.gz GWKZFEIJGBBRBD-UHFFFAOYSA-N 0 0 440.507 -0.584 20 30 IBEDRN COC[C@](C)(NCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C(=O)OC ZINC000544397347 1074536434 /nfs/dbraw/zinc/53/64/34/1074536434.db2.gz FMTOJUHBELJXMQ-IBGZPJMESA-N 0 0 438.506 -0.441 20 30 IBEDRN COC[C@@](C)(NCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C(=O)OC ZINC000544397348 1074536229 /nfs/dbraw/zinc/53/62/29/1074536229.db2.gz FMTOJUHBELJXMQ-LJQANCHMSA-N 0 0 438.506 -0.441 20 30 IBEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCN3CCOC[C@H]3C2)CC1 ZINC000544524194 1074543569 /nfs/dbraw/zinc/54/35/69/1074543569.db2.gz PBVFXTUXDIFTFU-GOSISDBHSA-N 0 0 433.534 -0.592 20 30 IBEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCN3CCOC[C@@H]3C2)CC1 ZINC000544524195 1074543660 /nfs/dbraw/zinc/54/36/60/1074543660.db2.gz PBVFXTUXDIFTFU-SFHVURJKSA-N 0 0 433.534 -0.592 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)NC3CC3)cc2)CC1 ZINC000544528629 1074544122 /nfs/dbraw/zinc/54/41/22/1074544122.db2.gz JZRBHTJNZYFRPY-UHFFFAOYSA-N 0 0 449.533 -0.488 20 30 IBEDRN Cc1cc([N+](=O)[O-])ccc1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(CC(N)=O)c1=O ZINC000544638336 1074547944 /nfs/dbraw/zinc/54/79/44/1074547944.db2.gz RMCIXCWHLHHGPW-UHFFFAOYSA-N 0 0 441.469 -0.263 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000544698468 1074549469 /nfs/dbraw/zinc/54/94/69/1074549469.db2.gz SGRAYUSNOSNHOP-UHFFFAOYSA-N 0 0 439.494 -0.002 20 30 IBEDRN CNC(=O)C(C#N)=c1sc(=Cc2cc3c(cc2OC)OCO3)c(=O)n1Cc1ccon1 ZINC000544724851 1074550854 /nfs/dbraw/zinc/55/08/54/1074550854.db2.gz LIWDMKMUVFZCSM-UHFFFAOYSA-N 0 0 440.437 -0.068 20 30 IBEDRN COc1cc2c(cc1C=c1sc(=C(C#N)C(=O)NC(C)C)n(CC(N)=O)c1=O)OCO2 ZINC000544731661 1074550830 /nfs/dbraw/zinc/55/08/30/1074550830.db2.gz QXDDRDNXRDIOTD-UHFFFAOYSA-N 0 0 444.469 -0.840 20 30 IBEDRN N#Cc1cccc(N2CCN(C(=O)Cn3c4ccc(S(N)(=O)=O)cc4oc3=O)CC2)n1 ZINC000544866074 1074556293 /nfs/dbraw/zinc/55/62/93/1074556293.db2.gz SAEIXWGCKIIVMX-UHFFFAOYSA-N 0 0 442.457 -0.143 20 30 IBEDRN COC(=O)c1cn([C@H]2CCN(C(=O)C(=O)Nc3ncn(Cc4ccc(C#N)cc4)n3)C2)nn1 ZINC000544870557 1074556483 /nfs/dbraw/zinc/55/64/83/1074556483.db2.gz GHBGTWANCPQNFL-HNNXBMFYSA-N 0 0 449.431 -0.012 20 30 IBEDRN COC(=O)c1cn([C@@H]2CCN(C(=O)C(=O)Nc3ncn(Cc4ccc(C#N)cc4)n3)C2)nn1 ZINC000544870563 1074556644 /nfs/dbraw/zinc/55/66/44/1074556644.db2.gz GHBGTWANCPQNFL-OAHLLOKOSA-N 0 0 449.431 -0.012 20 30 IBEDRN N#Cc1cccc(N2CCN(CC(=O)N3CCN([C@@H]4CCS(=O)(=O)C4)CC3)CC2)n1 ZINC000544879893 1074557544 /nfs/dbraw/zinc/55/75/44/1074557544.db2.gz GNHZWNVMKIEDBB-GOSISDBHSA-N 0 0 432.550 -0.593 20 30 IBEDRN N#Cc1cccc(N2CCN(CC(=O)N3CCN([C@H]4CCS(=O)(=O)C4)CC3)CC2)n1 ZINC000544879897 1074557432 /nfs/dbraw/zinc/55/74/32/1074557432.db2.gz GNHZWNVMKIEDBB-SFHVURJKSA-N 0 0 432.550 -0.593 20 30 IBEDRN N#Cc1cccc(N2CCN(CC(=O)N3CCN(CC(=O)N4CCOCC4)CC3)CC2)n1 ZINC000544882117 1074557589 /nfs/dbraw/zinc/55/75/89/1074557589.db2.gz QYISBOVVHODOKF-UHFFFAOYSA-N 0 0 441.536 -0.922 20 30 IBEDRN C=CCN1C(=O)C(=O)N(Cc2nc(-c3ccc(C(=O)N4CCN(C)CC4)nc3)no2)C1=O ZINC000545048248 1074563644 /nfs/dbraw/zinc/56/36/44/1074563644.db2.gz DKTWTTMVJDUEEC-UHFFFAOYSA-N 0 0 439.432 -0.004 20 30 IBEDRN Cc1cc(Cl)ccc1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(CC(N)=O)c1=O ZINC000545208283 1074570271 /nfs/dbraw/zinc/57/02/71/1074570271.db2.gz UCENWEBIMSLTJB-UHFFFAOYSA-N 0 0 446.916 -0.281 20 30 IBEDRN COc1cc(C#N)ccc1NC(=O)C(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC000545295450 1074576904 /nfs/dbraw/zinc/57/69/04/1074576904.db2.gz MTAOTFZJTLWAQJ-UHFFFAOYSA-N 0 0 427.417 -0.675 20 30 IBEDRN CCn1nc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CC(N)=O)c2=O)c2ccccc21 ZINC000545313593 1074577391 /nfs/dbraw/zinc/57/73/91/1074577391.db2.gz DITFOJHNUPNTCJ-UHFFFAOYSA-N 0 0 438.513 -0.208 20 30 IBEDRN CCn1nc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CC(N)=O)c2=O)c2ccccc21 ZINC000545313638 1074577426 /nfs/dbraw/zinc/57/74/26/1074577426.db2.gz SCAICAIJFDDMDL-UHFFFAOYSA-N 0 0 436.497 -0.454 20 30 IBEDRN CCn1c(=O)c(=Cc2cc3c(cc2OC)OCO3)sc1=C(C#N)C(=O)NCCOC ZINC000545368954 1074579128 /nfs/dbraw/zinc/57/91/28/1074579128.db2.gz OWPDRODIARHDEK-UHFFFAOYSA-N 0 0 431.470 -0.067 20 30 IBEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cc3c(cc2OC)OCO3)c(=O)n1CC(N)=O ZINC000545370209 1074579081 /nfs/dbraw/zinc/57/90/81/1074579081.db2.gz LXZHRWYSWSHZFR-UHFFFAOYSA-N 0 0 444.469 -0.838 20 30 IBEDRN CCOCCn1c(=O)c(=Cc2cc3c(cc2OC)OCO3)sc1=C(C#N)C(=O)NC ZINC000545370340 1074579114 /nfs/dbraw/zinc/57/91/14/1074579114.db2.gz PFFXQXIQYHDUBW-UHFFFAOYSA-N 0 0 431.470 -0.067 20 30 IBEDRN CCOC(=O)CNC(=O)[C@H]1COCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000545466190 1074585002 /nfs/dbraw/zinc/58/50/02/1074585002.db2.gz BLOUDPGJRSHBMK-CYBMUJFWSA-N 0 0 426.407 -0.465 20 30 IBEDRN CCOC(=O)CNC(=O)[C@@H]1COCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000545466191 1074585015 /nfs/dbraw/zinc/58/50/15/1074585015.db2.gz BLOUDPGJRSHBMK-ZDUSSCGKSA-N 0 0 426.407 -0.465 20 30 IBEDRN C=CCNC(=O)c1cccc(S(=O)(=O)N2CCOC[C@H]2C(=O)NCC(=O)OCC)c1 ZINC000545466562 1074584981 /nfs/dbraw/zinc/58/49/81/1074584981.db2.gz VTCRODKVOONSKY-INIZCTEOSA-N 0 0 439.490 -0.329 20 30 IBEDRN C=CCNC(=O)c1cccc(S(=O)(=O)N2CCOC[C@@H]2C(=O)NCC(=O)OCC)c1 ZINC000545466563 1074584885 /nfs/dbraw/zinc/58/48/85/1074584885.db2.gz VTCRODKVOONSKY-MRXNPFEDSA-N 0 0 439.490 -0.329 20 30 IBEDRN Cn1c2ncc(S(=O)(=O)N3CCN(c4cccc(C#N)n4)CC3)cc2c(=O)[nH]c1=O ZINC000545469104 1074584967 /nfs/dbraw/zinc/58/49/67/1074584967.db2.gz JCPVRWQOUWDJMQ-UHFFFAOYSA-N 0 0 427.446 -0.188 20 30 IBEDRN CCOC(=O)Cn1cccc(NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)c1=O ZINC000545488878 1074585769 /nfs/dbraw/zinc/58/57/69/1074585769.db2.gz BXWCWNUQXUMXMG-UHFFFAOYSA-N 0 0 438.444 -0.035 20 30 IBEDRN N#Cc1cccc(N2CCN(C(=O)C(=O)Nc3ccc(N4CCNC(=O)C4)nc3)CC2)n1 ZINC000545490227 1074586111 /nfs/dbraw/zinc/58/61/11/1074586111.db2.gz FOJBYUCRVKKRQO-UHFFFAOYSA-N 0 0 434.460 -0.428 20 30 IBEDRN Cn1c2ncc(NC(=O)C(=O)N3CCN(c4cccc(C#N)n4)CC3)cc2c(=O)n(C)c1=O ZINC000545496640 1074586842 /nfs/dbraw/zinc/58/68/42/1074586842.db2.gz AKAJSUBOTCOROI-UHFFFAOYSA-N 0 0 448.443 -0.814 20 30 IBEDRN COCCNC(=O)Cn1cc(NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)cn1 ZINC000545496740 1074586835 /nfs/dbraw/zinc/58/68/35/1074586835.db2.gz KUJUMZXOECAXHC-UHFFFAOYSA-N 0 0 440.464 -0.800 20 30 IBEDRN N#Cc1cccc(N2CCN(C(=O)C(=O)Nc3cccc(C(=O)NCC(N)=O)c3)CC2)n1 ZINC000545497834 1074586865 /nfs/dbraw/zinc/58/68/65/1074586865.db2.gz UCGMNDOEGAMAQT-UHFFFAOYSA-N 0 0 435.444 -0.544 20 30 IBEDRN COC(=O)c1cn([C@H]2CCN(CC(=O)N3CCN(c4oc(C)nc4C#N)CC3)C2)nn1 ZINC000545518667 1074588168 /nfs/dbraw/zinc/58/81/68/1074588168.db2.gz QZWBYGWRPNJXDB-AWEZNQCLSA-N 0 0 428.453 -0.172 20 30 IBEDRN COC(=O)c1cn([C@@H]2CCN(CC(=O)N3CCN(c4oc(C)nc4C#N)CC3)C2)nn1 ZINC000545518668 1074587904 /nfs/dbraw/zinc/58/79/04/1074587904.db2.gz QZWBYGWRPNJXDB-CQSZACIVSA-N 0 0 428.453 -0.172 20 30 IBEDRN CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)C1 ZINC000545892379 1073318084 /nfs/dbraw/zinc/31/80/84/1073318084.db2.gz HMQMGMLEXHNXNE-AWEZNQCLSA-N 0 0 431.478 -0.074 20 30 IBEDRN CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)C1 ZINC000545892380 1074601756 /nfs/dbraw/zinc/60/17/56/1074601756.db2.gz HMQMGMLEXHNXNE-CQSZACIVSA-N 0 0 431.478 -0.074 20 30 IBEDRN COc1cc(C#N)ccc1NC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000546005236 1074607438 /nfs/dbraw/zinc/60/74/38/1074607438.db2.gz HHCNPYKLQSFPTJ-UHFFFAOYSA-N 0 0 429.433 -0.965 20 30 IBEDRN CCSc1cccc(C=c2sc(=C(C#N)C(=O)NCCOC)n(CC(N)=O)c2=O)c1 ZINC000546020447 1074608288 /nfs/dbraw/zinc/60/82/88/1074608288.db2.gz YUTXTXHQOPWPQD-UHFFFAOYSA-N 0 0 446.554 -0.227 20 30 IBEDRN COc1cc2c(cc1C=c1sc(=C(C#N)C(=O)C(C)C)n(CC(N)=O)c1=O)OCO2 ZINC000546073045 1074611365 /nfs/dbraw/zinc/61/13/65/1074611365.db2.gz DUUIIGNXBRTDMO-UHFFFAOYSA-N 0 0 429.454 -0.139 20 30 IBEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cc3c(cc2OC)OCO3)c(=O)n1C ZINC000546074667 1074611267 /nfs/dbraw/zinc/61/12/67/1074611267.db2.gz ADVUHQDOMUQWAP-UHFFFAOYSA-N 0 0 431.470 -0.160 20 30 IBEDRN N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCN(c4ncc(F)cn4)CC3)n2)cc1 ZINC000546144847 1073313429 /nfs/dbraw/zinc/31/34/29/1073313429.db2.gz KXUACEVGGIJSEJ-UHFFFAOYSA-N 0 0 435.423 0.414 20 30 IBEDRN COC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 ZINC000546158237 1074614523 /nfs/dbraw/zinc/61/45/23/1074614523.db2.gz WMLSIQKMZLVLBF-INIZCTEOSA-N 0 0 438.506 -0.001 20 30 IBEDRN CN(C)c1ncncc1NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000546194664 1072658842 /nfs/dbraw/zinc/65/88/42/1072658842.db2.gz SGXSIRXYRUUCKI-UHFFFAOYSA-N 0 0 443.489 -0.114 20 30 IBEDRN CN(C)c1ncncc1NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000546195836 1074618470 /nfs/dbraw/zinc/61/84/70/1074618470.db2.gz SWTKMDOZUZLIRM-UHFFFAOYSA-N 0 0 443.489 -0.114 20 30 IBEDRN N#Cc1cccc(N2CCN(C(=O)C(=O)Nc3ccn(CCN4CCOCC4)n3)CC2)n1 ZINC000546200218 1074619045 /nfs/dbraw/zinc/61/90/45/1074619045.db2.gz XXSLSEXRIFERRC-UHFFFAOYSA-N 0 0 438.492 -0.231 20 30 IBEDRN N#Cc1cccc(N2CCN(C(=O)C(=O)Nc3cnn(CCN4CCOCC4)c3)CC2)n1 ZINC000546203308 1074619064 /nfs/dbraw/zinc/61/90/64/1074619064.db2.gz SRFKTGQVWCOEIT-UHFFFAOYSA-N 0 0 438.492 -0.231 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)cc2C)c(=O)n1CC(N)=O ZINC000546622618 1074637520 /nfs/dbraw/zinc/63/75/20/1074637520.db2.gz VIQFTRFWPOMFPX-UHFFFAOYSA-N 0 0 434.905 -0.377 20 30 IBEDRN COc1cc(C#N)ccc1NC(=O)C(=O)N1CCN([C@@H](C)C(=O)N2CCOCC2)CC1 ZINC000546709295 1074641547 /nfs/dbraw/zinc/64/15/47/1074641547.db2.gz QLVFBTWWJBJEMS-HNNXBMFYSA-N 0 0 429.477 -0.103 20 30 IBEDRN COc1cc(C#N)ccc1NC(=O)C(=O)N1CCN([C@H](C)C(=O)N2CCOCC2)CC1 ZINC000546709297 1074641666 /nfs/dbraw/zinc/64/16/66/1074641666.db2.gz QLVFBTWWJBJEMS-OAHLLOKOSA-N 0 0 429.477 -0.103 20 30 IBEDRN COc1cc(C#N)ccc1NC(=O)C(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000546711819 1074641644 /nfs/dbraw/zinc/64/16/44/1074641644.db2.gz REWQBFBBJQODHU-UHFFFAOYSA-N 0 0 437.478 -0.773 20 30 IBEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2nn(CC)c3ccccc23)c(=O)n1CC(N)=O ZINC000546726823 1074642133 /nfs/dbraw/zinc/64/21/33/1074642133.db2.gz CEGISIGVCRPTGG-UHFFFAOYSA-N 0 0 436.497 -0.430 20 30 IBEDRN COc1cc2c(cc1C=c1sc(=C(C#N)C(=O)N3CCOCC3)n(C)c1=O)OCO2 ZINC000546780738 1074643751 /nfs/dbraw/zinc/64/37/51/1074643751.db2.gz HDRWLMGQBCNLFZ-UHFFFAOYSA-N 0 0 429.454 -0.454 20 30 IBEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2nn(CC)c3ccccc23)c(=O)n1CC(N)=O ZINC000547434133 1074664995 /nfs/dbraw/zinc/66/49/95/1074664995.db2.gz FFACDFXSJJEPFA-UHFFFAOYSA-N 0 0 438.513 -0.206 20 30 IBEDRN CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)N(C)CCCc2[nH]nc(N)c2C#N)c1 ZINC000547778332 1070847922 /nfs/dbraw/zinc/84/79/22/1070847922.db2.gz FWPHQNYDJRUWFO-UHFFFAOYSA-N 0 0 447.521 -0.065 20 30 IBEDRN COc1cc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)nn1C ZINC000547799319 1070854544 /nfs/dbraw/zinc/85/45/44/1070854544.db2.gz VCGDIACPNYCHIC-UHFFFAOYSA-N 0 0 432.462 -0.228 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cc(F)cc(Cl)c2)c(=O)n1CC(N)=O ZINC000547948052 1070886339 /nfs/dbraw/zinc/88/63/39/1070886339.db2.gz OENNJLRITNIYRY-UHFFFAOYSA-N 0 0 438.868 -0.547 20 30 IBEDRN COCc1ccc(C=c2sc(=C(C#N)C(=O)[C@H]3CCOC3)n(CC(N)=O)c2=O)cc1 ZINC000547962127 1070889265 /nfs/dbraw/zinc/88/92/65/1070889265.db2.gz OCNOQPMCZVLAJZ-HNNXBMFYSA-N 0 0 427.482 -0.350 20 30 IBEDRN COCc1ccc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCOC3)n(CC(N)=O)c2=O)cc1 ZINC000547962128 1070889142 /nfs/dbraw/zinc/88/91/42/1070889142.db2.gz OCNOQPMCZVLAJZ-OAHLLOKOSA-N 0 0 427.482 -0.350 20 30 IBEDRN COCc1cccc(C=c2sc(=C(C#N)C(=O)[C@H]3CCOC3)n(CC(N)=O)c2=O)c1 ZINC000547962231 1070888813 /nfs/dbraw/zinc/88/88/13/1070888813.db2.gz GXZQBZHOLNGTHH-HNNXBMFYSA-N 0 0 427.482 -0.350 20 30 IBEDRN COCc1cccc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCOC3)n(CC(N)=O)c2=O)c1 ZINC000547962232 1070888516 /nfs/dbraw/zinc/88/85/16/1070888516.db2.gz GXZQBZHOLNGTHH-OAHLLOKOSA-N 0 0 427.482 -0.350 20 30 IBEDRN COC(=O)c1ccc(C=c2sc(=C(C#N)C(=O)[C@H]3CCOC3)n(CC(N)=O)c2=O)cc1 ZINC000547962746 1070888791 /nfs/dbraw/zinc/88/87/91/1070888791.db2.gz JNQSDBDVRPHFCH-AWEZNQCLSA-N 0 0 441.465 -0.710 20 30 IBEDRN COC(=O)c1ccc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCOC3)n(CC(N)=O)c2=O)cc1 ZINC000547962748 1070888393 /nfs/dbraw/zinc/88/83/93/1070888393.db2.gz JNQSDBDVRPHFCH-CQSZACIVSA-N 0 0 441.465 -0.710 20 30 IBEDRN N#CC(C(=O)[C@H]1CCOC1)=c1sc(=Cc2cccc(-n3cccn3)c2)c(=O)n1CC(N)=O ZINC000547962945 1070889285 /nfs/dbraw/zinc/88/92/85/1070889285.db2.gz WWKMXTDATFJOHS-HNNXBMFYSA-N 0 0 449.492 -0.311 20 30 IBEDRN N#CC(C(=O)[C@@H]1CCOC1)=c1sc(=Cc2cccc(-n3cccn3)c2)c(=O)n1CC(N)=O ZINC000547962946 1070889172 /nfs/dbraw/zinc/88/91/72/1070889172.db2.gz WWKMXTDATFJOHS-OAHLLOKOSA-N 0 0 449.492 -0.311 20 30 IBEDRN C=CCN(C(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000548101485 1070934855 /nfs/dbraw/zinc/93/48/55/1070934855.db2.gz SAJJDHYVIRACPP-HNNXBMFYSA-N 0 0 443.547 -0.132 20 30 IBEDRN C=CCN(C(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000548101486 1070934839 /nfs/dbraw/zinc/93/48/39/1070934839.db2.gz SAJJDHYVIRACPP-OAHLLOKOSA-N 0 0 443.547 -0.132 20 30 IBEDRN COc1cc(C)nc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCOC3)n(CC(N)=O)c2=O)c1 ZINC000548289542 1071002833 /nfs/dbraw/zinc/00/28/33/1071002833.db2.gz XLPNZXKJYSBELR-GFCCVEGCSA-N 0 0 428.470 -0.784 20 30 IBEDRN COc1cc(C)nc(C=c2sc(=C(C#N)C(=O)[C@H]3CCOC3)n(CC(N)=O)c2=O)c1 ZINC000548289543 1071003623 /nfs/dbraw/zinc/00/36/23/1071003623.db2.gz XLPNZXKJYSBELR-LBPRGKRZSA-N 0 0 428.470 -0.784 20 30 IBEDRN Cc1cc([N+](=O)[O-])ccc1C=c1sc(=C(C#N)C(=O)[C@@H]2CCOC2)n(CC(N)=O)c1=O ZINC000548290050 1071003788 /nfs/dbraw/zinc/00/37/88/1071003788.db2.gz KEBDFNJDHMPZNZ-CYBMUJFWSA-N 0 0 442.453 -0.280 20 30 IBEDRN Cc1cc([N+](=O)[O-])ccc1C=c1sc(=C(C#N)C(=O)[C@H]2CCOC2)n(CC(N)=O)c1=O ZINC000548290054 1071003423 /nfs/dbraw/zinc/00/34/23/1071003423.db2.gz KEBDFNJDHMPZNZ-ZDUSSCGKSA-N 0 0 442.453 -0.280 20 30 IBEDRN CCOc1cccc(C=c2sc(=C(C#N)C(=O)[C@H]3CCOC3)n(CC(N)=O)c2=O)c1 ZINC000548290258 1071003707 /nfs/dbraw/zinc/00/37/07/1071003707.db2.gz BFDQCAYZQDIRCI-AWEZNQCLSA-N 0 0 427.482 -0.098 20 30 IBEDRN CCOc1cccc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCOC3)n(CC(N)=O)c2=O)c1 ZINC000548290265 1071003498 /nfs/dbraw/zinc/00/34/98/1071003498.db2.gz BFDQCAYZQDIRCI-CQSZACIVSA-N 0 0 427.482 -0.098 20 30 IBEDRN COc1cc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)nn1C ZINC000548455897 1071030905 /nfs/dbraw/zinc/03/09/05/1071030905.db2.gz PGDJABGTZONKCK-UHFFFAOYSA-N 0 0 432.462 -0.228 20 30 IBEDRN CCCc1cccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CC(N)=O)c2=O)c1 ZINC000548478529 1071033248 /nfs/dbraw/zinc/03/32/48/1071033248.db2.gz OUBCEVVQBDBJFQ-UHFFFAOYSA-N 0 0 440.525 -0.291 20 30 IBEDRN N#CC(C(=O)[C@H]1CCOC1)=c1sc(=Cc2cc(F)c(F)c(F)c2)c(=O)n1CC(N)=O ZINC000548617084 1071060518 /nfs/dbraw/zinc/06/05/18/1071060518.db2.gz DHGNIRLPUISXIN-JTQLQIEISA-N 0 0 437.399 -0.079 20 30 IBEDRN N#CC(C(=O)[C@@H]1CCOC1)=c1sc(=Cc2cc(F)c(F)c(F)c2)c(=O)n1CC(N)=O ZINC000548617085 1071060674 /nfs/dbraw/zinc/06/06/74/1071060674.db2.gz DHGNIRLPUISXIN-SNVBAGLBSA-N 0 0 437.399 -0.079 20 30 IBEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCOC3)n(CC(N)=O)c2=O)cc1F ZINC000548617125 1071060481 /nfs/dbraw/zinc/06/04/81/1071060481.db2.gz NGRDSJSRVYLZBP-GFCCVEGCSA-N 0 0 431.445 -0.349 20 30 IBEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)[C@H]3CCOC3)n(CC(N)=O)c2=O)cc1F ZINC000548617126 1071060461 /nfs/dbraw/zinc/06/04/61/1071060461.db2.gz NGRDSJSRVYLZBP-LBPRGKRZSA-N 0 0 431.445 -0.349 20 30 IBEDRN N#CC(C(=O)[C@@H]1CCOC1)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1CC(N)=O ZINC000548617730 1071061293 /nfs/dbraw/zinc/06/12/93/1071061293.db2.gz CCLWMYQPPOXKRJ-GFCCVEGCSA-N 0 0 428.426 -0.588 20 30 IBEDRN N#CC(C(=O)[C@H]1CCOC1)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1CC(N)=O ZINC000548617731 1071061336 /nfs/dbraw/zinc/06/13/36/1071061336.db2.gz CCLWMYQPPOXKRJ-LBPRGKRZSA-N 0 0 428.426 -0.588 20 30 IBEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCOC3)n(CC(N)=O)c2=O)cc1C#N ZINC000548618550 1071061257 /nfs/dbraw/zinc/06/12/57/1071061257.db2.gz XHIAHMHQCOSOIY-CYBMUJFWSA-N 0 0 438.465 -0.616 20 30 IBEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)[C@H]3CCOC3)n(CC(N)=O)c2=O)cc1C#N ZINC000548618551 1071061395 /nfs/dbraw/zinc/06/13/95/1071061395.db2.gz XHIAHMHQCOSOIY-ZDUSSCGKSA-N 0 0 438.465 -0.616 20 30 IBEDRN Cn1nccc1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(-c2ccc(C(N)=O)cc2)c1=O ZINC000549147633 1071328990 /nfs/dbraw/zinc/32/89/90/1071328990.db2.gz IPSHGSCEVWDBAG-UHFFFAOYSA-N 0 0 448.508 -0.143 20 30 IBEDRN C=CCNC(=O)CN1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2OC)CC1 ZINC000549223596 1071332024 /nfs/dbraw/zinc/33/20/24/1071332024.db2.gz KFGJEYSNPNLODM-UHFFFAOYSA-N 0 0 431.536 -0.293 20 30 IBEDRN C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000549248476 1071334348 /nfs/dbraw/zinc/33/43/48/1071334348.db2.gz RWTCGDJCUUYKMS-UHFFFAOYSA-N 0 0 445.524 -0.402 20 30 IBEDRN C=C(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000549274437 1071335424 /nfs/dbraw/zinc/33/54/24/1071335424.db2.gz NOBFGIKRXCCEAA-UHFFFAOYSA-N 0 0 441.558 -0.309 20 30 IBEDRN C=C(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000549325931 1071337720 /nfs/dbraw/zinc/33/77/20/1071337720.db2.gz ABJKNEXVUCVKLP-INIZCTEOSA-N 0 0 434.464 -0.356 20 30 IBEDRN C=C(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000549325932 1071337963 /nfs/dbraw/zinc/33/79/63/1071337963.db2.gz ABJKNEXVUCVKLP-MRXNPFEDSA-N 0 0 434.464 -0.356 20 30 IBEDRN COCCCn1nccc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(CC(N)=O)c1=O ZINC000549548541 1071424759 /nfs/dbraw/zinc/42/47/59/1071424759.db2.gz CBHCOVYPHWYAJK-UHFFFAOYSA-N 0 0 429.502 -0.500 20 30 IBEDRN CCn1cc(-n2c(=O)c(=Cc3ccnn3CCCOC)sc2=C(C#N)C(=O)NC)cn1 ZINC000549549578 1071424807 /nfs/dbraw/zinc/42/48/07/1071424807.db2.gz AAMQIEDVFWDWDW-UHFFFAOYSA-N 0 0 441.517 -0.403 20 30 IBEDRN C=CCNC(=O)CN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCOC2)CC1 ZINC000549631804 1071470522 /nfs/dbraw/zinc/47/05/22/1071470522.db2.gz ZFSAOFGVCWSHCJ-KRWDZBQOSA-N 0 0 431.541 -0.025 20 30 IBEDRN C=CCNC(=O)CN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCOC2)CC1 ZINC000549631805 1071470498 /nfs/dbraw/zinc/47/04/98/1071470498.db2.gz ZFSAOFGVCWSHCJ-QGZVFWFLSA-N 0 0 431.541 -0.025 20 30 IBEDRN C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000549665234 1071487767 /nfs/dbraw/zinc/48/77/67/1071487767.db2.gz GSQWWJBMVGXTEY-CYBMUJFWSA-N 0 0 439.542 -0.608 20 30 IBEDRN C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000549665235 1071487792 /nfs/dbraw/zinc/48/77/92/1071487792.db2.gz GSQWWJBMVGXTEY-ZDUSSCGKSA-N 0 0 439.542 -0.608 20 30 IBEDRN C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 ZINC000549665440 1071487076 /nfs/dbraw/zinc/48/70/76/1071487076.db2.gz LBWQQWROFKYZMR-AWEZNQCLSA-N 0 0 441.558 -0.362 20 30 IBEDRN C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 ZINC000549665442 1071486891 /nfs/dbraw/zinc/48/68/91/1071486891.db2.gz LBWQQWROFKYZMR-CQSZACIVSA-N 0 0 441.558 -0.362 20 30 IBEDRN C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](NC(=O)NC)C1 ZINC000549692312 1071528691 /nfs/dbraw/zinc/52/86/91/1071528691.db2.gz HNMJAWCGFZQYKR-KBPBESRZSA-N 0 0 427.531 -0.305 20 30 IBEDRN C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](NC(=O)NC)C1 ZINC000549692324 1071528676 /nfs/dbraw/zinc/52/86/76/1071528676.db2.gz HNMJAWCGFZQYKR-KGLIPLIRSA-N 0 0 427.531 -0.305 20 30 IBEDRN C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](NC(=O)NC)C1 ZINC000549692325 1071528708 /nfs/dbraw/zinc/52/87/08/1071528708.db2.gz HNMJAWCGFZQYKR-UONOGXRCSA-N 0 0 427.531 -0.305 20 30 IBEDRN C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](NC(=O)NC)C1 ZINC000549692326 1071528875 /nfs/dbraw/zinc/52/88/75/1071528875.db2.gz HNMJAWCGFZQYKR-ZIAGYGMSSA-N 0 0 427.531 -0.305 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)NCCCNc2ncnc3ccc([N+](=O)[O-])cc32)C1=O ZINC000549720088 1073303401 /nfs/dbraw/zinc/30/34/01/1073303401.db2.gz HFGJQNQYIBYTFL-UHFFFAOYSA-N 0 0 441.404 0.433 20 30 IBEDRN C=C(C)Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000549734705 1071533650 /nfs/dbraw/zinc/53/36/50/1071533650.db2.gz OMIGHRNAMQOLCY-AWEZNQCLSA-N 0 0 448.487 -0.085 20 30 IBEDRN C=C(C)Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000549734706 1071533763 /nfs/dbraw/zinc/53/37/63/1071533763.db2.gz OMIGHRNAMQOLCY-CQSZACIVSA-N 0 0 448.487 -0.085 20 30 IBEDRN CCCn1c(=O)c(=Cc2ccnn2CCCOC)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000549936724 1072589262 /nfs/dbraw/zinc/58/92/62/1072589262.db2.gz OEHVOBBIMACFLN-UHFFFAOYSA-N 0 0 445.545 -0.085 20 30 IBEDRN COCCCn1nccc1C=c1sc(=C(C#N)C(=O)N2CCSCC2)n(C)c1=O ZINC000549943898 1072589841 /nfs/dbraw/zinc/58/98/41/1072589841.db2.gz QFWUWDAJFBAYAP-UHFFFAOYSA-N 0 0 433.559 -0.242 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@@H](c2cccs2)N2CCOCC2)CC1 ZINC000549972564 1071791163 /nfs/dbraw/zinc/79/11/63/1071791163.db2.gz PGIAZPZAQVCPEU-KRWDZBQOSA-N 0 0 449.577 -0.316 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@H](c2cccs2)N2CCOCC2)CC1 ZINC000549972585 1071792001 /nfs/dbraw/zinc/79/20/01/1071792001.db2.gz PGIAZPZAQVCPEU-QGZVFWFLSA-N 0 0 449.577 -0.316 20 30 IBEDRN CN1CCN(S(=O)(=O)N2CCN(C(=O)C(=O)N3CCc4ccc(C#N)cc43)CC2)CC1 ZINC000550197021 1072161904 /nfs/dbraw/zinc/16/19/04/1072161904.db2.gz CSBVRKSWQNIUST-UHFFFAOYSA-N 0 0 446.533 -0.916 20 30 IBEDRN COCCn1cnc2c1c(=O)n(CC(=O)NCC#CCO)c(=O)n2Cc1ccccc1 ZINC000550221008 1072164532 /nfs/dbraw/zinc/16/45/32/1072164532.db2.gz YHTHJYAWDJAASB-UHFFFAOYSA-N 0 0 425.445 -0.834 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@H](c2ccc(C)o2)N2CCOCC2)CC1 ZINC000550237838 1072165159 /nfs/dbraw/zinc/16/51/59/1072165159.db2.gz ZZHJOMIYCVGTAS-GOSISDBHSA-N 0 0 447.536 -0.476 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@@H](c2ccc(C)o2)N2CCOCC2)CC1 ZINC000550237839 1072165172 /nfs/dbraw/zinc/16/51/72/1072165172.db2.gz ZZHJOMIYCVGTAS-SFHVURJKSA-N 0 0 447.536 -0.476 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(CC(=O)Nc3ccccc3F)CC2)C1=O ZINC000550287910 1072210331 /nfs/dbraw/zinc/21/03/31/1072210331.db2.gz PTICOEDAXKNGTQ-UHFFFAOYSA-N 0 0 431.424 -0.115 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)NCCNc2nccc(C(F)(F)F)n2)CC1 ZINC000550430298 1072313945 /nfs/dbraw/zinc/31/39/45/1072313945.db2.gz DZTKIFMWFTYWSG-UHFFFAOYSA-N 0 0 443.430 -0.530 20 30 IBEDRN CN(C)S(=O)(=O)N(CC#N)CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000550451235 1072361890 /nfs/dbraw/zinc/36/18/90/1072361890.db2.gz QHQKMKPVDNMMBU-UHFFFAOYSA-N 0 0 445.523 -0.722 20 30 IBEDRN CCOc1cccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CC(N)=O)c2=O)c1 ZINC000550463211 1072459986 /nfs/dbraw/zinc/45/99/86/1072459986.db2.gz MIXHYZFHOBZCLF-UHFFFAOYSA-N 0 0 442.497 -0.844 20 30 IBEDRN CCCS(=O)(=O)N1CCC(NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)CC1 ZINC000550467412 1072490468 /nfs/dbraw/zinc/49/04/68/1072490468.db2.gz RQQVGTPJZRJADI-UHFFFAOYSA-N 0 0 448.549 -0.078 20 30 IBEDRN N#Cc1ccc2c(c1)N(C(=O)C(=O)NC1CCN(S(=O)(=O)N3CCOCC3)CC1)CC2 ZINC000550523418 1072519071 /nfs/dbraw/zinc/51/90/71/1072519071.db2.gz PPHPVCGWUIIJEQ-UHFFFAOYSA-N 0 0 447.517 -0.395 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H](CN2CCOCC2)c2ccccc2)CC1 ZINC000550541897 1072522156 /nfs/dbraw/zinc/52/21/56/1072522156.db2.gz SIXBYWPZVACMCP-FQEVSTJZSA-N 0 0 443.548 -0.378 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H](CN2CCOCC2)c2ccccc2)CC1 ZINC000550541898 1072522314 /nfs/dbraw/zinc/52/23/14/1072522314.db2.gz SIXBYWPZVACMCP-HXUWFJFHSA-N 0 0 443.548 -0.378 20 30 IBEDRN C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)C(=O)NCc3cccc(C#N)c3)CC2)C[C@H](C)O1 ZINC000550585743 1073003356 /nfs/dbraw/zinc/00/33/56/1073003356.db2.gz YGPYGJTWUASYAS-HOTGVXAUSA-N 0 0 449.533 -0.327 20 30 IBEDRN C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)C(=O)NCc3cccc(C#N)c3)CC2)C[C@@H](C)O1 ZINC000550585744 1073003747 /nfs/dbraw/zinc/00/37/47/1073003747.db2.gz YGPYGJTWUASYAS-HZPDHXFCSA-N 0 0 449.533 -0.327 20 30 IBEDRN C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)C(=O)NCc3cccc(C#N)c3)CC2)C[C@H](C)O1 ZINC000550585745 1073003329 /nfs/dbraw/zinc/00/33/29/1073003329.db2.gz YGPYGJTWUASYAS-IYBDPMFKSA-N 0 0 449.533 -0.327 20 30 IBEDRN N#Cc1cccc(CNC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)c1 ZINC000550586130 1073003266 /nfs/dbraw/zinc/00/32/66/1073003266.db2.gz DTTJPWWPOTUJPW-UHFFFAOYSA-N 0 0 445.457 -0.601 20 30 IBEDRN CC(C)[C@@H](C#N)N1CCN(C(=O)CN2C[C@@H](O)[C@@H](N(C)CC(=O)OC(C)(C)C)C2)CC1 ZINC000550658074 1073010133 /nfs/dbraw/zinc/01/01/33/1073010133.db2.gz YXRSKJLUXQZAFN-CEXWTWQISA-N 0 0 437.585 -0.003 20 30 IBEDRN CC(C)[C@H](C#N)N1CCN(C(=O)CN2C[C@@H](O)[C@@H](N(C)CC(=O)OC(C)(C)C)C2)CC1 ZINC000550658075 1073010353 /nfs/dbraw/zinc/01/03/53/1073010353.db2.gz YXRSKJLUXQZAFN-GBESFXJTSA-N 0 0 437.585 -0.003 20 30 IBEDRN CC(C)[C@@H](C#N)N1CCN(C(=O)CN2C[C@@H](O)[C@H](N(C)CC(=O)OC(C)(C)C)C2)CC1 ZINC000550658076 1073010406 /nfs/dbraw/zinc/01/04/06/1073010406.db2.gz YXRSKJLUXQZAFN-GUDVDZBRSA-N 0 0 437.585 -0.003 20 30 IBEDRN CC(C)[C@H](C#N)N1CCN(C(=O)CN2C[C@@H](O)[C@H](N(C)CC(=O)OC(C)(C)C)C2)CC1 ZINC000550658077 1073010272 /nfs/dbraw/zinc/01/02/72/1073010272.db2.gz YXRSKJLUXQZAFN-IPMKNSEASA-N 0 0 437.585 -0.003 20 30 IBEDRN CN1CCN(C(=O)CCNC(=O)C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)CC1 ZINC000550670293 1073014606 /nfs/dbraw/zinc/01/46/06/1073014606.db2.gz UNUZKZJUZYFRKM-UHFFFAOYSA-N 0 0 440.548 -0.127 20 30 IBEDRN CN1CCN(C(=O)CCNC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 ZINC000550674668 1073013588 /nfs/dbraw/zinc/01/35/88/1073013588.db2.gz NONLBJTWBXDYSU-GOSISDBHSA-N 0 0 440.504 -0.944 20 30 IBEDRN CN1CCN(C(=O)CCNC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 ZINC000550674671 1073013493 /nfs/dbraw/zinc/01/34/93/1073013493.db2.gz NONLBJTWBXDYSU-SFHVURJKSA-N 0 0 440.504 -0.944 20 30 IBEDRN CNS(=O)(=O)c1cccc(CNC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)c1 ZINC000550695554 1073016774 /nfs/dbraw/zinc/01/67/74/1073016774.db2.gz SVIWSAPKAZBWEG-UHFFFAOYSA-N 0 0 442.501 -0.174 20 30 IBEDRN CNS(=O)(=O)c1cccc(CNC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)c1 ZINC000550696576 1073016837 /nfs/dbraw/zinc/01/68/37/1073016837.db2.gz IGXJNAXAZAHKIY-UHFFFAOYSA-N 0 0 442.501 -0.174 20 30 IBEDRN C=CCN1CC[C@H](N(C)C(=O)C(=O)NCCNS(=O)(=O)c2cccc(Cl)c2)C1=O ZINC000550741042 1073021027 /nfs/dbraw/zinc/02/10/27/1073021027.db2.gz RUCRLGNSUUOJBI-HNNXBMFYSA-N 0 0 442.925 -0.020 20 30 IBEDRN C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCCNS(=O)(=O)c2cccc(Cl)c2)C1=O ZINC000550741043 1073021039 /nfs/dbraw/zinc/02/10/39/1073021039.db2.gz RUCRLGNSUUOJBI-OAHLLOKOSA-N 0 0 442.925 -0.020 20 30 IBEDRN COCCOc1ncccc1CNC(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC000550753203 1073021771 /nfs/dbraw/zinc/02/17/71/1073021771.db2.gz GOSRZSLPLKYVQT-UHFFFAOYSA-N 0 0 441.492 -0.015 20 30 IBEDRN COCCOc1ccc(CNC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cn1 ZINC000550754586 1073021857 /nfs/dbraw/zinc/02/18/57/1073021857.db2.gz VVYIRMGXYHTBSF-UHFFFAOYSA-N 0 0 441.492 -0.015 20 30 IBEDRN C=CCN1CC[C@H](N(C)C(=O)C(=O)NCCCN2CCN(c3ncccn3)CC2)C1=O ZINC000550769269 1073023377 /nfs/dbraw/zinc/02/33/77/1073023377.db2.gz OFHKZMLJWBMYAL-KRWDZBQOSA-N 0 0 429.525 -0.650 20 30 IBEDRN C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCCCN2CCN(c3ncccn3)CC2)C1=O ZINC000550769270 1073023450 /nfs/dbraw/zinc/02/34/50/1073023450.db2.gz OFHKZMLJWBMYAL-QGZVFWFLSA-N 0 0 429.525 -0.650 20 30 IBEDRN N#CCCn1ccc(NC(=O)C(=O)N2C[C@@H](C(=O)N3CCOCC3)Oc3ccccc32)n1 ZINC000550799599 1073311323 /nfs/dbraw/zinc/31/13/23/1073311323.db2.gz QPWPKULQIVEJLN-KRWDZBQOSA-N 0 0 438.444 0.388 20 30 IBEDRN N#CCCn1ccc(NC(=O)C(=O)N2C[C@H](C(=O)N3CCOCC3)Oc3ccccc32)n1 ZINC000550799600 1073029609 /nfs/dbraw/zinc/02/96/09/1073029609.db2.gz QPWPKULQIVEJLN-QGZVFWFLSA-N 0 0 438.444 0.388 20 30 IBEDRN CNC(=O)CN1CCC(NC(=O)C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)CC1 ZINC000550808127 1073031548 /nfs/dbraw/zinc/03/15/48/1073031548.db2.gz QURATOMZEFOYEN-IBGZPJMESA-N 0 0 426.521 -0.450 20 30 IBEDRN CNC(=O)CN1CCC(NC(=O)C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)CC1 ZINC000550808128 1073031526 /nfs/dbraw/zinc/03/15/26/1073031526.db2.gz QURATOMZEFOYEN-LJQANCHMSA-N 0 0 426.521 -0.450 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)NCCN2CCN(c3ccccc3)CC2)CC1 ZINC000550827581 1073034491 /nfs/dbraw/zinc/03/44/91/1073034491.db2.gz XSRNXTZLWDMBIF-UHFFFAOYSA-N 0 0 442.564 -0.629 20 30 IBEDRN CCCS(=O)(=O)N1CCC(NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)CC1 ZINC000550860466 1073036925 /nfs/dbraw/zinc/03/69/25/1073036925.db2.gz UDEHKCGJVPXYDD-UHFFFAOYSA-N 0 0 448.549 -0.078 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2cccc(NC(=O)COC)c2)CC1 ZINC000550883898 1073038135 /nfs/dbraw/zinc/03/81/35/1073038135.db2.gz HWTMCTMWABWKKA-UHFFFAOYSA-N 0 0 431.493 -0.666 20 30 IBEDRN CN(C)C(=O)COc1cccc(CNC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)c1 ZINC000550885450 1073359594 /nfs/dbraw/zinc/35/95/94/1073359594.db2.gz VHEDCVXURPJOAM-UHFFFAOYSA-N 0 0 441.492 0.038 20 30 IBEDRN C=CCN1CC[C@H](N(C)C(=O)C(=O)NCc2ccc(C(=O)N3CCN(C)CC3)cc2)C1=O ZINC000550896323 1073040930 /nfs/dbraw/zinc/04/09/30/1073040930.db2.gz BPNVUNPYIFDODY-IBGZPJMESA-N 0 0 441.532 -0.064 20 30 IBEDRN C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCc2ccc(C(=O)N3CCN(C)CC3)cc2)C1=O ZINC000550896324 1073040758 /nfs/dbraw/zinc/04/07/58/1073040758.db2.gz BPNVUNPYIFDODY-LJQANCHMSA-N 0 0 441.532 -0.064 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2cccc(CN3CCOCC3)c2)CC1 ZINC000550927546 1073044474 /nfs/dbraw/zinc/04/44/74/1073044474.db2.gz RVMJFNCVYZTJFM-UHFFFAOYSA-N 0 0 443.548 -0.419 20 30 IBEDRN CCS(=O)(=O)N(C)CCCNC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000550944851 1073045706 /nfs/dbraw/zinc/04/57/06/1073045706.db2.gz CYKCZBHWMZOUEK-KRWDZBQOSA-N 0 0 449.533 -0.437 20 30 IBEDRN CCS(=O)(=O)N(C)CCCNC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000550944852 1073045800 /nfs/dbraw/zinc/04/58/00/1073045800.db2.gz CYKCZBHWMZOUEK-QGZVFWFLSA-N 0 0 449.533 -0.437 20 30 IBEDRN CCS(=O)(=O)N(C)CCCNC(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000550946653 1073046215 /nfs/dbraw/zinc/04/62/15/1073046215.db2.gz NXJWDDQTOXGBQB-KRWDZBQOSA-N 0 0 449.533 -0.042 20 30 IBEDRN CCS(=O)(=O)N(C)CCCNC(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000550946654 1073046149 /nfs/dbraw/zinc/04/61/49/1073046149.db2.gz NXJWDDQTOXGBQB-QGZVFWFLSA-N 0 0 449.533 -0.042 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2ccc(-n3nc(C)cc3C)nc2)CC1 ZINC000550999218 1073051211 /nfs/dbraw/zinc/05/12/11/1073051211.db2.gz NAFQNMKQSZXBIM-UHFFFAOYSA-N 0 0 439.520 -0.053 20 30 IBEDRN CN(C(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000551041931 1073353253 /nfs/dbraw/zinc/35/32/53/1073353253.db2.gz DLVTXUKKGWHNSG-CYBMUJFWSA-N 0 0 434.453 0.314 20 30 IBEDRN CN(C(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000551041938 1073353106 /nfs/dbraw/zinc/35/31/06/1073353106.db2.gz DLVTXUKKGWHNSG-ZDUSSCGKSA-N 0 0 434.453 0.314 20 30 IBEDRN CN1CCN(C(=O)CCNC(=O)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)CC1 ZINC000551054654 1073057311 /nfs/dbraw/zinc/05/73/11/1073057311.db2.gz FPKUNTWLPFPCPU-UHFFFAOYSA-N 0 0 426.521 -0.517 20 30 IBEDRN N#Cc1ccc(O[C@H]2CCN(C(=O)C(=O)Nc3ccc(N4CCNC(=O)C4)nc3)C2)nc1 ZINC000551065168 1073059078 /nfs/dbraw/zinc/05/90/78/1073059078.db2.gz RJQOJJGDPCBENG-INIZCTEOSA-N 0 0 435.444 -0.097 20 30 IBEDRN N#Cc1ccc(O[C@@H]2CCN(C(=O)C(=O)Nc3ccc(N4CCNC(=O)C4)nc3)C2)nc1 ZINC000551065169 1073059010 /nfs/dbraw/zinc/05/90/10/1073059010.db2.gz RJQOJJGDPCBENG-MRXNPFEDSA-N 0 0 435.444 -0.097 20 30 IBEDRN CCCNC(=O)CN1CCC(NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)CC1 ZINC000551187629 1073069241 /nfs/dbraw/zinc/06/92/41/1073069241.db2.gz OUQZVFKTUHPQSW-UHFFFAOYSA-N 0 0 441.536 -0.291 20 30 IBEDRN CNC(=O)CN1CCC(NC(=O)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)CC1 ZINC000551189210 1073069923 /nfs/dbraw/zinc/06/99/23/1073069923.db2.gz SDWUBRYFWRVCKY-UHFFFAOYSA-N 0 0 426.521 -0.471 20 30 IBEDRN Cn1c2ncc(NC(=O)C(=O)N3CCN(c4cnccc4C#N)CC3)cc2c(=O)n(C)c1=O ZINC000551192874 1073069737 /nfs/dbraw/zinc/06/97/37/1073069737.db2.gz ZJOGTQGSCYWTQS-UHFFFAOYSA-N 0 0 448.443 -0.814 20 30 IBEDRN N#Cc1cccc(N2CCN(C(=O)C(=O)NCCN3CCN(c4ncccn4)CC3)CC2)n1 ZINC000551205315 1073073018 /nfs/dbraw/zinc/07/30/18/1073073018.db2.gz JJOUPRAFHGXPEZ-UHFFFAOYSA-N 0 0 449.519 -0.670 20 30 IBEDRN COc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)nn1 ZINC000551407933 1073084444 /nfs/dbraw/zinc/08/44/44/1073084444.db2.gz VKGAHFZQDJPXRH-UHFFFAOYSA-N 0 0 430.446 -0.172 20 30 IBEDRN Cn1c2ncc(NC(=O)C(=O)N3CC[C@H](Oc4ccc(C#N)cn4)C3)cc2c(=O)n(C)c1=O ZINC000551430111 1073085761 /nfs/dbraw/zinc/08/57/61/1073085761.db2.gz RPYFEMJAUXLGBF-AWEZNQCLSA-N 0 0 449.427 -0.483 20 30 IBEDRN Cn1c2ncc(NC(=O)C(=O)N3CC[C@@H](Oc4ccc(C#N)cn4)C3)cc2c(=O)n(C)c1=O ZINC000551430112 1071070846 /nfs/dbraw/zinc/07/08/46/1071070846.db2.gz RPYFEMJAUXLGBF-CQSZACIVSA-N 0 0 449.427 -0.483 20 30 IBEDRN CN(CC(N)=O)C(=O)c1cccc(NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 ZINC000551476405 1073089485 /nfs/dbraw/zinc/08/94/85/1073089485.db2.gz VBZGAFUVWNKSBF-UHFFFAOYSA-N 0 0 449.471 -0.202 20 30 IBEDRN CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)N2CCN(c3cnccc3C#N)CC2)c1 ZINC000551543570 1073092923 /nfs/dbraw/zinc/09/29/23/1073092923.db2.gz SPWZJVQHWMEOQN-UHFFFAOYSA-N 0 0 449.471 -0.284 20 30 IBEDRN CN(CC(N)=O)C(=O)c1cccc(NC(=O)C(=O)N2CCN(c3cnccc3C#N)CC2)c1 ZINC000551544304 1073093189 /nfs/dbraw/zinc/09/31/89/1073093189.db2.gz SFFVZRKQOYZABG-UHFFFAOYSA-N 0 0 449.471 -0.202 20 30 IBEDRN N#Cc1ccc(N2CCN(C(=O)C(=O)NCCCn3nc4n(c3=O)CCCC4)CC2)nc1 ZINC000551603410 1073096577 /nfs/dbraw/zinc/09/65/77/1073096577.db2.gz SNYDRERKGUJECD-UHFFFAOYSA-N 0 0 438.492 -0.497 20 30 IBEDRN CCN(CCCNC(=O)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)S(C)(=O)=O ZINC000551634675 1071073028 /nfs/dbraw/zinc/07/30/28/1071073028.db2.gz JDTDJLZLNADPRP-UHFFFAOYSA-N 0 0 435.550 -0.010 20 30 IBEDRN CCN(CCCNC(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1)S(C)(=O)=O ZINC000551635443 1073097297 /nfs/dbraw/zinc/09/72/97/1073097297.db2.gz LOZZHORDIRKSHU-UHFFFAOYSA-N 0 0 439.542 -0.963 20 30 IBEDRN COC(=O)c1cn(CCNC(=O)C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)nn1 ZINC000551729458 1073328460 /nfs/dbraw/zinc/32/84/60/1073328460.db2.gz PKDLGFIJMQFEFM-UHFFFAOYSA-N 0 0 442.823 0.530 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2ccc(CS(C)(=O)=O)cc2)CC1 ZINC000551784316 1073106259 /nfs/dbraw/zinc/10/62/59/1073106259.db2.gz WNFHOBOXMTVVAW-UHFFFAOYSA-N 0 0 436.534 -0.706 20 30 IBEDRN CCOCCn1c(=O)c(=Cc2c(C)cnn2C)sc1=C(C#N)C(=O)N[C@@H](C)COC ZINC000551920704 1073115172 /nfs/dbraw/zinc/11/51/72/1073115172.db2.gz UCARNHMNOFOEOJ-AWEZNQCLSA-N 0 0 433.534 -0.358 20 30 IBEDRN CCOCCn1c(=O)c(=Cc2c(C)cnn2C)sc1=C(C#N)C(=O)N[C@H](C)COC ZINC000551920705 1073115202 /nfs/dbraw/zinc/11/52/02/1073115202.db2.gz UCARNHMNOFOEOJ-CQSZACIVSA-N 0 0 433.534 -0.358 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc3occc3c2)c(=O)n1CC(N)=O ZINC000551924522 1073115862 /nfs/dbraw/zinc/11/58/62/1073115862.db2.gz YATMMFFHWREYHG-UHFFFAOYSA-N 0 0 426.454 -0.593 20 30 IBEDRN COc1ccccc1C(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1CC(N)=O ZINC000552010548 1073119062 /nfs/dbraw/zinc/11/90/62/1073119062.db2.gz DCOPDEYIGZAVJT-UHFFFAOYSA-N 0 0 437.481 -0.168 20 30 IBEDRN CN1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)CNc2ccc(C#N)cn2)CC3)CC1 ZINC000552287427 1073199524 /nfs/dbraw/zinc/19/95/24/1073199524.db2.gz HYCLMQCFRHRNPB-INIZCTEOSA-N 0 0 436.520 0.328 20 30 IBEDRN CN1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)CNc2ccc(C#N)cn2)CC3)CC1 ZINC000552287429 1073199510 /nfs/dbraw/zinc/19/95/10/1073199510.db2.gz HYCLMQCFRHRNPB-MRXNPFEDSA-N 0 0 436.520 0.328 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)NCCCS(=O)(=O)c2ccccc2)CC1 ZINC000552288930 1073199463 /nfs/dbraw/zinc/19/94/63/1073199463.db2.gz LHHXVBRLFKQFOB-UHFFFAOYSA-N 0 0 436.534 -0.587 20 30 IBEDRN CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000552317657 1073356907 /nfs/dbraw/zinc/35/69/07/1073356907.db2.gz WKBFHCJTLOPQHI-UHFFFAOYSA-N 0 0 439.524 -0.282 20 30 IBEDRN CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NCCn3cnc(C#N)n3)c2)CC1 ZINC000552327027 1073091587 /nfs/dbraw/zinc/09/15/87/1073091587.db2.gz HYVUXBKAQQDLQK-UHFFFAOYSA-N 0 0 431.478 -0.567 20 30 IBEDRN N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCN(CC(=O)N3CCCCC3)CC2)c1 ZINC000552353783 1073200916 /nfs/dbraw/zinc/20/09/16/1073200916.db2.gz ZEXMFADBJOADKT-UHFFFAOYSA-N 0 0 433.534 -0.007 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@@H](C)N2CCc3ccccc3C2)CC1 ZINC000552501878 1073208580 /nfs/dbraw/zinc/20/85/80/1073208580.db2.gz HAASYXZMXZONFZ-GOSISDBHSA-N 0 0 427.549 -0.004 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@H](C)N2CCc3ccccc3C2)CC1 ZINC000552501879 1073208548 /nfs/dbraw/zinc/20/85/48/1073208548.db2.gz HAASYXZMXZONFZ-SFHVURJKSA-N 0 0 427.549 -0.004 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)CNC(=O)c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000552503949 1073209457 /nfs/dbraw/zinc/20/94/57/1073209457.db2.gz XZLQKFZCZDBQKO-UHFFFAOYSA-N 0 0 434.493 -0.111 20 30 IBEDRN CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NCCNC(=O)Cc1cccc(F)c1 ZINC000552581126 1073214007 /nfs/dbraw/zinc/21/40/07/1073214007.db2.gz JTHATPYDTHIEQE-UHFFFAOYSA-N 0 0 429.456 -0.131 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H](c2nnc3ccccn32)C(C)C)CC1 ZINC000552642776 1073218968 /nfs/dbraw/zinc/21/89/68/1073218968.db2.gz KJRLSRKHOQMGRJ-GOSISDBHSA-N 0 0 427.509 -0.011 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H](c2nnc3ccccn32)C(C)C)CC1 ZINC000552642782 1073218852 /nfs/dbraw/zinc/21/88/52/1073218852.db2.gz KJRLSRKHOQMGRJ-SFHVURJKSA-N 0 0 427.509 -0.011 20 30 IBEDRN CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NCCn3cnc(C#N)n3)cc2)CC1 ZINC000552673090 1073221770 /nfs/dbraw/zinc/22/17/70/1073221770.db2.gz QXKMGEDPBRGIDA-UHFFFAOYSA-N 0 0 431.478 -0.567 20 30 IBEDRN N#Cc1ccc(N2CCN(C(=O)C(=O)NCCNC(=O)c3cnccn3)CC2)c(F)c1 ZINC000552927155 1073237457 /nfs/dbraw/zinc/23/74/57/1073237457.db2.gz KTCAUTAJAYRCAU-UHFFFAOYSA-N 0 0 425.424 -0.318 20 30 IBEDRN CNC(=O)[C@H]1CN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)C[C@@H]1c1cnn(C)c1 ZINC000552987023 1073243563 /nfs/dbraw/zinc/24/35/63/1073243563.db2.gz UUNVQSIIBPPAMR-MSOLQXFVSA-N 0 0 444.517 -0.100 20 30 IBEDRN CN(CCc1ccccn1)C(=O)CNC(=O)C(=O)N1CCN(c2ncccc2C#N)CC1 ZINC000553046642 1073246885 /nfs/dbraw/zinc/24/68/85/1073246885.db2.gz ZDQSHSJLUCJBBG-UHFFFAOYSA-N 0 0 435.488 -0.186 20 30 IBEDRN C=CC[NH+]1CCC(NC(=O)C(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)CC1 ZINC000553047026 1073246759 /nfs/dbraw/zinc/24/67/59/1073246759.db2.gz HSAHXTSMPUMRCW-UHFFFAOYSA-N 0 0 429.525 -0.602 20 30 IBEDRN C=CCNC(=O)CN1CCN(c2cncc(N3CCN(CC(=O)NCC=C)CC3)n2)CC1 ZINC000553242035 1073259525 /nfs/dbraw/zinc/25/95/25/1073259525.db2.gz FYNHXYAUWVFMFQ-UHFFFAOYSA-N 0 0 442.568 -0.675 20 30 IBEDRN CN(C)S(=O)(=O)N(C)CC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000553268312 1073123182 /nfs/dbraw/zinc/12/31/82/1073123182.db2.gz GSZINYMZFOWRCU-UHFFFAOYSA-N 0 0 429.524 -0.871 20 30 IBEDRN N#CCNC(=O)CNC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCOCC3)cc21 ZINC000553310406 1073264611 /nfs/dbraw/zinc/26/46/11/1073264611.db2.gz QVTZSSZSRXEGCI-UHFFFAOYSA-N 0 0 433.446 -0.669 20 30 IBEDRN COCCN(Cc1ccc(C#N)cc1)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O ZINC000553339659 1073265623 /nfs/dbraw/zinc/26/56/23/1073265623.db2.gz NFRQMJUOBWKLKG-QTQZEZTPSA-N 0 0 440.460 -0.038 20 30 IBEDRN N#Cc1ncn(CCNC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)n1 ZINC000553341222 1073265571 /nfs/dbraw/zinc/26/55/71/1073265571.db2.gz OZIQVQKGRREDMR-UHFFFAOYSA-N 0 0 425.496 -0.268 20 30 IBEDRN Cn1c(=O)[nH]c(=O)c2c(C(=O)NCC(=O)NCC#N)cc(-c3ccc4c(c3)OCO4)nc21 ZINC000553427083 1073271475 /nfs/dbraw/zinc/27/14/75/1073271475.db2.gz RYCBHFYOHQMYEC-UHFFFAOYSA-N 0 0 436.384 -0.201 20 30 IBEDRN CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NCCn2cnc(C#N)n2)c1 ZINC000553497998 1073127072 /nfs/dbraw/zinc/12/70/72/1073127072.db2.gz MTVKEGLSZNWBCR-UHFFFAOYSA-N 0 0 433.494 -0.333 20 30 IBEDRN CCn1c2ccc(NC(=O)CCC(=O)NCCn3cnc(C#N)n3)nc2n(CC)c1=O ZINC000553504074 1073352118 /nfs/dbraw/zinc/35/21/18/1073352118.db2.gz PZJHXCFOKUHOIY-UHFFFAOYSA-N 0 0 425.453 0.236 20 30 IBEDRN Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CCC(=O)NCC(=O)NCC#N)CC2)c1 ZINC000553762652 1073283094 /nfs/dbraw/zinc/28/30/94/1073283094.db2.gz OABDVDDNXWYINS-UHFFFAOYSA-N 0 0 449.533 -0.327 20 30 IBEDRN CN(C)C(=O)CN1CCC(NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)CC1 ZINC000553763134 1073285660 /nfs/dbraw/zinc/28/56/60/1073285660.db2.gz GZUDJVSAQXFEIB-UHFFFAOYSA-N 0 0 427.509 -0.729 20 30 IBEDRN CN(C)C(=O)CN1CCC(NC(=O)C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)CC1 ZINC000553779618 1073285191 /nfs/dbraw/zinc/28/51/91/1073285191.db2.gz FTHYYFQOGZVYAQ-FQEVSTJZSA-N 0 0 440.548 -0.108 20 30 IBEDRN CN(C)C(=O)CN1CCC(NC(=O)C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)CC1 ZINC000553779621 1073285124 /nfs/dbraw/zinc/28/51/24/1073285124.db2.gz FTHYYFQOGZVYAQ-HXUWFJFHSA-N 0 0 440.548 -0.108 20 30 IBEDRN CN(C)C(=O)CN1CCC(NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)CC1 ZINC000553790453 1073135487 /nfs/dbraw/zinc/13/54/87/1073135487.db2.gz GAURYAMELDJXLA-UHFFFAOYSA-N 0 0 427.509 -0.729 20 30 IBEDRN N#Cc1c(Br)cccc1S(=O)(=O)N1CCN(CCS(N)(=O)=O)CC1 ZINC000553837140 1073136547 /nfs/dbraw/zinc/13/65/47/1073136547.db2.gz GGBKCOLLPNEJFX-UHFFFAOYSA-N 0 0 437.341 -0.084 20 30 IBEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)N[C@H]2COC[C@H]2n2ccnn2)CC1 ZINC000553864077 1073289928 /nfs/dbraw/zinc/28/99/28/1073289928.db2.gz MKJGMXNRYVRIGQ-JKSUJKDBSA-N 0 0 431.478 -0.194 20 30 IBEDRN COc1ccc(S(=O)(=O)N2CCC(NC(=O)NCC(=O)NCC#N)CC2)cc1OC ZINC000553927091 1073291943 /nfs/dbraw/zinc/29/19/43/1073291943.db2.gz XXVZUYAEYAVDMH-UHFFFAOYSA-N 0 0 439.494 -0.204 20 30 IBEDRN COCCCN(C(=O)CNS(=O)(=O)c1cccc(C#N)c1)[C@H]1CCS(=O)(=O)C1 ZINC000553927616 1073139664 /nfs/dbraw/zinc/13/96/64/1073139664.db2.gz PIWRPGIAQAYTOZ-HNNXBMFYSA-N 0 0 429.520 -0.111 20 30 IBEDRN COCCCN(C(=O)CNS(=O)(=O)c1cccc(C#N)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000553927617 1073139852 /nfs/dbraw/zinc/13/98/52/1073139852.db2.gz PIWRPGIAQAYTOZ-OAHLLOKOSA-N 0 0 429.520 -0.111 20 30 IBEDRN CN(C)CCN(C(=O)CNS(=O)(=O)c1ccc(C#N)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000553928766 1073139747 /nfs/dbraw/zinc/13/97/47/1073139747.db2.gz AIQHNUCPHVNGME-HNNXBMFYSA-N 0 0 428.536 -0.586 20 30 IBEDRN CN(C)CCN(C(=O)CNS(=O)(=O)c1ccc(C#N)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000553928768 1073292038 /nfs/dbraw/zinc/29/20/38/1073292038.db2.gz AIQHNUCPHVNGME-OAHLLOKOSA-N 0 0 428.536 -0.586 20 30 IBEDRN N#Cc1ncn(CCNC(=O)N2CCN(S(=O)(=O)c3c[nH]c4ncccc34)CC2)n1 ZINC000553967226 1073293179 /nfs/dbraw/zinc/29/31/79/1073293179.db2.gz OAKLHTMNEMUIIC-UHFFFAOYSA-N 0 0 429.466 -0.258 20 30 IBEDRN CN(C)C(=O)CN1CCC(NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)CC1 ZINC000554107373 1073303910 /nfs/dbraw/zinc/30/39/10/1073303910.db2.gz VMLDAWHHDGHKFM-UHFFFAOYSA-N 0 0 427.509 -0.729 20 30 IBEDRN CS(=O)(=O)N1CCN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)CC1 ZINC000554160001 1073307670 /nfs/dbraw/zinc/30/76/70/1073307670.db2.gz SSTNSAOFEXYUKS-HNNXBMFYSA-N 0 0 437.497 -0.114 20 30 IBEDRN CS(=O)(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)CC1 ZINC000554160003 1073142113 /nfs/dbraw/zinc/14/21/13/1073142113.db2.gz SSTNSAOFEXYUKS-OAHLLOKOSA-N 0 0 437.497 -0.114 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H]2CCN(c3ccccc3F)C2=O)CC1 ZINC000554169457 1073309321 /nfs/dbraw/zinc/30/93/21/1073309321.db2.gz SGYYUDBFCLWGBZ-INIZCTEOSA-N 0 0 431.468 -0.506 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CCN(c3ccccc3F)C2=O)CC1 ZINC000554169458 1073309419 /nfs/dbraw/zinc/30/94/19/1073309419.db2.gz SGYYUDBFCLWGBZ-MRXNPFEDSA-N 0 0 431.468 -0.506 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2ccnc(OC3CCOCC3)c2)CC1 ZINC000554175861 1073309407 /nfs/dbraw/zinc/30/94/07/1073309407.db2.gz AVFRAOWGIBSWIF-UHFFFAOYSA-N 0 0 445.520 -0.298 20 30 IBEDRN CS(=O)(=O)c1ccc(N2CCN(C(=O)NCCn3cnc(C#N)n3)CC2)c([N+](=O)[O-])c1 ZINC000554295911 1073316452 /nfs/dbraw/zinc/31/64/52/1073316452.db2.gz BNYQEDUQJJQUHM-UHFFFAOYSA-N 0 0 448.465 -0.007 20 30 IBEDRN N#Cc1ncn(CCNC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000554295999 1073316448 /nfs/dbraw/zinc/31/64/48/1073316448.db2.gz DBQFLLDCZZQUQX-UHFFFAOYSA-N 0 0 434.438 -0.226 20 30 IBEDRN N#Cc1ncn(CCNC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)n1 ZINC000554297325 1073316310 /nfs/dbraw/zinc/31/63/10/1073316310.db2.gz VLDKZMUZTHLDJV-HNNXBMFYSA-N 0 0 426.485 -0.255 20 30 IBEDRN N#Cc1ncn(CCNC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)n1 ZINC000554297330 1073316433 /nfs/dbraw/zinc/31/64/33/1073316433.db2.gz VLDKZMUZTHLDJV-OAHLLOKOSA-N 0 0 426.485 -0.255 20 30 IBEDRN N#Cc1ncn(CCNC(=O)N2CCN(S(=O)(=O)c3cccc4nsnc43)CC2)n1 ZINC000554297608 1073142594 /nfs/dbraw/zinc/14/25/94/1073142594.db2.gz PDCUYVFNGYIDEW-UHFFFAOYSA-N 0 0 447.506 -0.129 20 30 IBEDRN C=CCOc1ccccc1CNC(=O)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000554311886 1073317161 /nfs/dbraw/zinc/31/71/61/1073317161.db2.gz VEQUXRLGPWACKG-UHFFFAOYSA-N 0 0 430.505 -0.129 20 30 IBEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CC(N)=O)c2=O)c(C)c1OC ZINC000554404767 1073321595 /nfs/dbraw/zinc/32/15/95/1073321595.db2.gz HCIIBQPYZLXLIK-UHFFFAOYSA-N 0 0 442.497 -0.498 20 30 IBEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CC(N)=O)c2=O)c(C)c1OC ZINC000554522825 1073326362 /nfs/dbraw/zinc/32/63/62/1073326362.db2.gz SMEMCXRHRHUPIZ-UHFFFAOYSA-N 0 0 444.513 -0.252 20 30 IBEDRN Cn1c(=O)c(=Cc2ccc(F)cc2F)sc1=C(C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000554523104 1073326349 /nfs/dbraw/zinc/32/63/49/1073326349.db2.gz JWYFZJAKWQCXIW-UHFFFAOYSA-N 0 0 439.465 -0.515 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2ccc(S(C)(=O)=O)s2)CC1 ZINC000554636010 1073328469 /nfs/dbraw/zinc/32/84/69/1073328469.db2.gz IYUUHQKMKBSUHX-UHFFFAOYSA-N 0 0 428.536 -0.786 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CCN(C(=O)C3CCCCC3)C2)CC1 ZINC000554638247 1073329012 /nfs/dbraw/zinc/32/90/12/1073329012.db2.gz YMOMULNDZXFPCG-GOSISDBHSA-N 0 0 433.553 -0.270 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H]2CCN(C(=O)C3CCCCC3)C2)CC1 ZINC000554638248 1073328958 /nfs/dbraw/zinc/32/89/58/1073328958.db2.gz YMOMULNDZXFPCG-SFHVURJKSA-N 0 0 433.553 -0.270 20 30 IBEDRN Cn1ccnc1CN1CCN(C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 ZINC000554694900 1073334643 /nfs/dbraw/zinc/33/46/43/1073334643.db2.gz RHQWHHJXRMSBLV-IBGZPJMESA-N 0 0 449.515 -0.147 20 30 IBEDRN Cn1ccnc1CN1CCN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 ZINC000554694902 1073334717 /nfs/dbraw/zinc/33/47/17/1073334717.db2.gz RHQWHHJXRMSBLV-LJQANCHMSA-N 0 0 449.515 -0.147 20 30 IBEDRN CS(=O)(=O)N1CCC[C@@H]1CNC(=O)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000554839235 1073147991 /nfs/dbraw/zinc/14/79/91/1073147991.db2.gz KZONQXRXLHRCBO-GOSISDBHSA-N 0 0 433.534 -0.257 20 30 IBEDRN C=CC[C@@H](CO)NC(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 ZINC000554882936 1073346454 /nfs/dbraw/zinc/34/64/54/1073346454.db2.gz FJKXPNXSEXMKRX-AWEZNQCLSA-N 0 0 440.522 -0.235 20 30 IBEDRN C=CC[C@H](CO)NC(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 ZINC000554882937 1073346557 /nfs/dbraw/zinc/34/65/57/1073346557.db2.gz FJKXPNXSEXMKRX-CQSZACIVSA-N 0 0 440.522 -0.235 20 30 IBEDRN N#Cc1ccc(S(=O)(=O)NCC(=O)NCCN2CCN(c3ncccn3)CC2)cc1 ZINC000554982886 1073349674 /nfs/dbraw/zinc/34/96/74/1073349674.db2.gz SJHYAAUSUUEWGF-UHFFFAOYSA-N 0 0 429.506 -0.435 20 30 IBEDRN N#Cc1cccc(S(=O)(=O)NCC(=O)NCCS(=O)(=O)N2CCSCC2)c1 ZINC000555024166 1073350770 /nfs/dbraw/zinc/35/07/70/1073350770.db2.gz UAMNPBGERMRHFR-UHFFFAOYSA-N 0 0 432.549 -0.669 20 30 IBEDRN COCCCS(=O)(=O)N1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000555063226 1073352991 /nfs/dbraw/zinc/35/29/91/1073352991.db2.gz PHPAKYSHCBXXPA-UHFFFAOYSA-N 0 0 444.535 -0.653 20 30 IBEDRN C=C(C)Cn1c(C(=O)NC(C)C)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 ZINC000555242672 1073358727 /nfs/dbraw/zinc/35/87/27/1073358727.db2.gz VDQOEESNEJQGQG-UHFFFAOYSA-N 0 0 431.501 -0.541 20 30 IBEDRN C=C(C)Cn1c(-c2cnn(C)c2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 ZINC000555261453 1073359178 /nfs/dbraw/zinc/35/91/78/1073359178.db2.gz WLHJYPIGZXFCDT-UHFFFAOYSA-N 0 0 426.485 -0.279 20 30 IBEDRN C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 ZINC000555269815 1073359680 /nfs/dbraw/zinc/35/96/80/1073359680.db2.gz RDLMZAVTDPPKOX-UHFFFAOYSA-N 0 0 437.468 -0.163 20 30 IBEDRN C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(=O)NC2CC2)CC1 ZINC000555272575 1073360162 /nfs/dbraw/zinc/36/01/62/1073360162.db2.gz PQSYPCWUBPAWCZ-AWEZNQCLSA-N 0 0 425.559 -0.135 20 30 IBEDRN C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(=O)NC2CC2)CC1 ZINC000555272578 1073359978 /nfs/dbraw/zinc/35/99/78/1073359978.db2.gz PQSYPCWUBPAWCZ-CQSZACIVSA-N 0 0 425.559 -0.135 20 30 IBEDRN C=C(C)Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000555274345 1073360131 /nfs/dbraw/zinc/36/01/31/1073360131.db2.gz OEVUTRMGLPWLLJ-UHFFFAOYSA-N 0 0 428.497 -0.238 20 30 IBEDRN CCOCCn1c(=O)c(=Cc2cccc(OC)n2)sc1=C(C#N)C(=O)NCCOC ZINC000555377936 1073362850 /nfs/dbraw/zinc/36/28/50/1073362850.db2.gz MQBMJWVMRMESPZ-UHFFFAOYSA-N 0 0 432.502 -0.384 20 30 IBEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OCC3CC3)cc2)c(=O)n1CC(N)=O ZINC000555377977 1073363086 /nfs/dbraw/zinc/36/30/86/1073363086.db2.gz YJIMQDOXCOFDLL-UHFFFAOYSA-N 0 0 438.509 -0.011 20 30 IBEDRN CNC(=O)C(C#N)=c1sc(=Cc2ccnn2CCCOC)c(=O)n1C[C@@H]1CCCO1 ZINC000555425848 1073234780 /nfs/dbraw/zinc/23/47/80/1073234780.db2.gz NORZDOXAGVUFAH-HNNXBMFYSA-N 0 0 431.518 -0.429 20 30 IBEDRN CNC(=O)C(C#N)=c1sc(=Cc2ccnn2CCCOC)c(=O)n1C[C@H]1CCCO1 ZINC000555425853 1073364831 /nfs/dbraw/zinc/36/48/31/1073364831.db2.gz NORZDOXAGVUFAH-OAHLLOKOSA-N 0 0 431.518 -0.429 20 30 IBEDRN COCCCn1nccc1C=c1sc(=C(C#N)C(=O)CC(C)C)n(CC(N)=O)c1=O ZINC000555426450 1073364760 /nfs/dbraw/zinc/36/47/60/1073364760.db2.gz MXHYDUCBIARLNR-UHFFFAOYSA-N 0 0 431.518 -0.254 20 30 IBEDRN CCn1c(=O)c(=Cc2ccnn2CCCOC)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000555426697 1073364817 /nfs/dbraw/zinc/36/48/17/1073364817.db2.gz UNPXIBHHFKEJOO-UHFFFAOYSA-N 0 0 431.518 -0.475 20 30 IBEDRN COCCCn1nccc1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(C2CC2)c1=O ZINC000555427004 1073364712 /nfs/dbraw/zinc/36/47/12/1073364712.db2.gz NENWDHFPWHGFLA-UHFFFAOYSA-N 0 0 443.529 -0.160 20 30 IBEDRN COCCCn1nccc1C=c1sc(=C(C#N)C(=O)NCCOC)n(C2CC2)c1=O ZINC000555427035 1073364750 /nfs/dbraw/zinc/36/47/50/1073364750.db2.gz PJADCSZRRUAEKS-UHFFFAOYSA-N 0 0 431.518 -0.257 20 30 IBEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2C(=O)[C@@H]3CSCN3C2=O)CC1 ZINC000555462246 1073366157 /nfs/dbraw/zinc/36/61/57/1073366157.db2.gz GNIVSGFHHZEHEU-AWEZNQCLSA-N 0 0 449.514 -0.272 20 30 IBEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2C(=O)[C@H]3CSCN3C2=O)CC1 ZINC000555462247 1073366144 /nfs/dbraw/zinc/36/61/44/1073366144.db2.gz GNIVSGFHHZEHEU-CQSZACIVSA-N 0 0 449.514 -0.272 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)NCCNS(=O)(=O)c2ccc(F)c(Cl)c2)C1=O ZINC000555542185 1073368256 /nfs/dbraw/zinc/36/82/56/1073368256.db2.gz HLOQBRQLAOLGHE-UHFFFAOYSA-N 0 0 446.844 -0.150 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@H](c2ccccc2OC)N(C)C)CC1 ZINC000555676633 1073374613 /nfs/dbraw/zinc/37/46/13/1073374613.db2.gz BIJVLHQRIVAQKT-GOSISDBHSA-N 0 0 431.537 -0.140 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@@H](c2ccccc2OC)N(C)C)CC1 ZINC000555676634 1073374709 /nfs/dbraw/zinc/37/47/09/1073374709.db2.gz BIJVLHQRIVAQKT-SFHVURJKSA-N 0 0 431.537 -0.140 20 30 IBEDRN Cc1nn(C)c(N2CCN(C(=O)C(=O)NCc3nnc4n3CCCCC4)CC2)c1C#N ZINC000555716815 1073377998 /nfs/dbraw/zinc/37/79/98/1073377998.db2.gz ZTESCCDIJJCBPG-UHFFFAOYSA-N 0 0 425.497 -0.117 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2ccccc2CN2CCOCC2)CC1 ZINC000555723048 1073376819 /nfs/dbraw/zinc/37/68/19/1073376819.db2.gz YLEYHXXTDYPZSD-UHFFFAOYSA-N 0 0 443.548 -0.419 20 30 IBEDRN C=CCN(CCOC)C(=O)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000555724393 1073377379 /nfs/dbraw/zinc/37/73/79/1073377379.db2.gz ROQURHYPMQOVST-UHFFFAOYSA-N 0 0 425.507 -0.015 20 30 IBEDRN C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)N2CCc3ccc(C#N)cc32)CC1 ZINC000555772330 1073381294 /nfs/dbraw/zinc/38/12/94/1073381294.db2.gz XLCGWQKNQRPDKM-INIZCTEOSA-N 0 0 425.489 -0.161 20 30 IBEDRN C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)N2CCc3ccc(C#N)cc32)CC1 ZINC000555772331 1073381350 /nfs/dbraw/zinc/38/13/50/1073381350.db2.gz XLCGWQKNQRPDKM-MRXNPFEDSA-N 0 0 425.489 -0.161 20 30 IBEDRN N#Cc1ccc(NC(=O)C(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)nc1 ZINC000555837108 1073384152 /nfs/dbraw/zinc/38/41/52/1073384152.db2.gz VFNKNVQMMSAJTA-UHFFFAOYSA-N 0 0 443.489 -0.445 20 30 IBEDRN CN(C)S(=O)(=O)c1ccccc1CNC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N ZINC000555886114 1073355302 /nfs/dbraw/zinc/35/53/02/1073355302.db2.gz ZUIJAUIODJKNGF-UHFFFAOYSA-N 0 0 447.521 -0.179 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)NCCNC(=O)c2ccc(C)c(F)c2)CC1 ZINC000555917586 1073393498 /nfs/dbraw/zinc/39/34/98/1073393498.db2.gz MONUGRGBDRIQSP-UHFFFAOYSA-N 0 0 433.484 -0.573 20 30 IBEDRN Cc1nn(C)c(N2CCN(C(=O)C(=O)NCc3ccc(S(C)(=O)=O)cc3)CC2)c1C#N ZINC000555934738 1073394881 /nfs/dbraw/zinc/39/48/81/1073394881.db2.gz JKDFUMKMYQGEJM-UHFFFAOYSA-N 0 0 444.517 -0.031 20 30 IBEDRN CCCS(=O)(=O)N1CCC(NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)CC1 ZINC000555966187 1073397881 /nfs/dbraw/zinc/39/78/81/1073397881.db2.gz CHCQSBCASUVFBN-UHFFFAOYSA-N 0 0 448.549 -0.078 20 30 IBEDRN C=CCN1CC[C@H](N(C)C(=O)C(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)C1=O ZINC000555970963 1073397891 /nfs/dbraw/zinc/39/78/91/1073397891.db2.gz CUXHLSYRBNIODV-KRWDZBQOSA-N 0 0 441.488 -0.880 20 30 IBEDRN C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)C1=O ZINC000555970964 1073398028 /nfs/dbraw/zinc/39/80/28/1073398028.db2.gz CUXHLSYRBNIODV-QGZVFWFLSA-N 0 0 441.488 -0.880 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2cccc(OCC(=O)N(C)C)c2)CC1 ZINC000555998625 1073403531 /nfs/dbraw/zinc/40/35/31/1073403531.db2.gz YISHKETYBAFQPQ-UHFFFAOYSA-N 0 0 445.520 -0.784 20 30 IBEDRN C[C@H](NC(=O)C(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1)c1ccc(C#N)cc1 ZINC000556038398 1073406783 /nfs/dbraw/zinc/40/67/83/1073406783.db2.gz NPKFLQOBBUBIMY-INIZCTEOSA-N 0 0 448.549 -0.628 20 30 IBEDRN C[C@@H](NC(=O)C(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1)c1ccc(C#N)cc1 ZINC000556038401 1073406744 /nfs/dbraw/zinc/40/67/44/1073406744.db2.gz NPKFLQOBBUBIMY-MRXNPFEDSA-N 0 0 448.549 -0.628 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2ccc(CN3CCCC3=O)cc2)CC1 ZINC000556059223 1072812184 /nfs/dbraw/zinc/81/21/84/1072812184.db2.gz KULFGINZNURYCW-UHFFFAOYSA-N 0 0 441.532 -0.128 20 30 IBEDRN N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccnn2-c2ccccc2)c(=O)n1CC(N)=O ZINC000556083267 1072817339 /nfs/dbraw/zinc/81/73/39/1072817339.db2.gz RSPHIKLCSQETGM-UHFFFAOYSA-N 0 0 448.508 -0.294 20 30 IBEDRN N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)NCCNC(=O)c3cccnc3)C2=O)cc1 ZINC000556088854 1072816191 /nfs/dbraw/zinc/81/61/91/1072816191.db2.gz SCCUTYXRPLSJGJ-GOSISDBHSA-N 0 0 434.456 -0.283 20 30 IBEDRN N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)NCCNC(=O)c3cccnc3)C2=O)cc1 ZINC000556088860 1072816113 /nfs/dbraw/zinc/81/61/13/1072816113.db2.gz SCCUTYXRPLSJGJ-SFHVURJKSA-N 0 0 434.456 -0.283 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2cccc(C(=O)NCCC)c2)CC1 ZINC000556109399 1072820601 /nfs/dbraw/zinc/82/06/01/1072820601.db2.gz HOPLLWJSAYIIPC-UHFFFAOYSA-N 0 0 429.521 -0.111 20 30 IBEDRN CNS(=O)(=O)c1cccc(CNC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)c1 ZINC000556114326 1072822141 /nfs/dbraw/zinc/82/21/41/1072822141.db2.gz VILPTVGXZFVMNY-UHFFFAOYSA-N 0 0 442.501 -0.174 20 30 IBEDRN N#Cc1ccc(NC(=O)C(=O)NC2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)nc1 ZINC000556160106 1072826259 /nfs/dbraw/zinc/82/62/59/1072826259.db2.gz WVPXKOWINSLEBS-UHFFFAOYSA-N 0 0 443.441 -0.148 20 30 IBEDRN N#CC1CCN(C(=O)C(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)CC1 ZINC000556173262 1072827874 /nfs/dbraw/zinc/82/78/74/1072827874.db2.gz RGRGFFANMMHMKM-UHFFFAOYSA-N 0 0 434.522 -0.588 20 30 IBEDRN CCCNC(=O)CN1CCC(NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)CC1 ZINC000556186830 1072829326 /nfs/dbraw/zinc/82/93/26/1072829326.db2.gz MOUUDYCKJYMHOG-UHFFFAOYSA-N 0 0 441.536 -0.291 20 30 IBEDRN CNC(=O)CN1CCC(NC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000556186867 1072828665 /nfs/dbraw/zinc/82/86/65/1072828665.db2.gz NTLOPPABPNUVGE-GOSISDBHSA-N 0 0 440.504 -0.504 20 30 IBEDRN CNC(=O)CN1CCC(NC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000556186868 1073243675 /nfs/dbraw/zinc/24/36/75/1073243675.db2.gz NTLOPPABPNUVGE-SFHVURJKSA-N 0 0 440.504 -0.504 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)NC2CCN(C(=O)C(CC)CC)CC2)CC1 ZINC000556192786 1072831205 /nfs/dbraw/zinc/83/12/05/1072831205.db2.gz LHXWTUCEFUEUBB-UHFFFAOYSA-N 0 0 435.569 -0.024 20 30 IBEDRN N#Cc1ccccc1N1CCN(C(=O)C(=O)NCCN2CCN(c3ncccn3)CC2)CC1 ZINC000556193740 1072831901 /nfs/dbraw/zinc/83/19/01/1072831901.db2.gz LFMFCCXGPPTPKX-UHFFFAOYSA-N 0 0 448.531 -0.065 20 30 IBEDRN N#Cc1ccc(N2CCN(C(=O)C(=O)NCCN3CCN(c4ncccn4)CC3)CC2)nc1 ZINC000556196999 1072831803 /nfs/dbraw/zinc/83/18/03/1072831803.db2.gz IAQNZLOAIPGUMX-UHFFFAOYSA-N 0 0 449.519 -0.670 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2ccccc2N2CCOCC2)CC1 ZINC000556203874 1072833650 /nfs/dbraw/zinc/83/36/50/1072833650.db2.gz CXLSKYNMSOMMKK-UHFFFAOYSA-N 0 0 429.521 -0.414 20 30 IBEDRN COCCNC(=O)Cn1cc(NC(=O)C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)cn1 ZINC000556326878 1072843523 /nfs/dbraw/zinc/84/35/23/1072843523.db2.gz MNPHBDGBKHPVRS-INIZCTEOSA-N 0 0 441.448 -0.469 20 30 IBEDRN COCCNC(=O)Cn1cc(NC(=O)C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)cn1 ZINC000556326879 1072843418 /nfs/dbraw/zinc/84/34/18/1072843418.db2.gz MNPHBDGBKHPVRS-MRXNPFEDSA-N 0 0 441.448 -0.469 20 30 IBEDRN COCCNC(=O)Cn1cc(NC(=O)C(=O)N2CCN(c3cnccc3C#N)CC2)cn1 ZINC000556389586 1072854508 /nfs/dbraw/zinc/85/45/08/1072854508.db2.gz OJLDDNUAVMJCKX-UHFFFAOYSA-N 0 0 440.464 -0.800 20 30 IBEDRN N#Cc1ccncc1N1CCN(C(=O)C(=O)Nc2cccc(C(=O)NCC(N)=O)c2)CC1 ZINC000556389649 1072854759 /nfs/dbraw/zinc/85/47/59/1072854759.db2.gz BQJMMXLOANEMDM-UHFFFAOYSA-N 0 0 435.444 -0.544 20 30 IBEDRN N#Cc1ccncc1N1CCN(C(=O)C(=O)Nc2ccn(CCN3CCOCC3)n2)CC1 ZINC000556389766 1072854622 /nfs/dbraw/zinc/85/46/22/1072854622.db2.gz FOCHMTFJFXMTHF-UHFFFAOYSA-N 0 0 438.492 -0.231 20 30 IBEDRN C=CCN1C(=O)N=NC1S(=O)(=O)CC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000556411300 1072857237 /nfs/dbraw/zinc/85/72/37/1072857237.db2.gz ALFQUMIKWZVEBV-CYBMUJFWSA-N 0 0 432.524 -0.098 20 30 IBEDRN C=CCN1C(=O)N=NC1S(=O)(=O)CC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000556411306 1072857086 /nfs/dbraw/zinc/85/70/86/1072857086.db2.gz ALFQUMIKWZVEBV-ZDUSSCGKSA-N 0 0 432.524 -0.098 20 30 IBEDRN COC(=O)c1cn(CCNC(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)nn1 ZINC000556524311 1073328653 /nfs/dbraw/zinc/32/86/53/1073328653.db2.gz RVYZKRIRCWGLSA-UHFFFAOYSA-N 0 0 426.368 0.016 20 30 IBEDRN CN(C)S(=O)(=O)c1cccc2c1CCN(C(=O)C(=O)Nc1ccn(CCC#N)n1)C2 ZINC000556539207 1073309207 /nfs/dbraw/zinc/30/92/07/1073309207.db2.gz DPJJPSQFQFNODC-UHFFFAOYSA-N 0 0 430.490 0.570 20 30 IBEDRN COCC(=O)N1CCC(NC(=O)C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)CC1 ZINC000556593514 1072886709 /nfs/dbraw/zinc/88/67/09/1072886709.db2.gz ZONMOCJDAHCCJI-IBGZPJMESA-N 0 0 427.505 -0.023 20 30 IBEDRN COCC(=O)N1CCC(NC(=O)C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)CC1 ZINC000556593515 1072886675 /nfs/dbraw/zinc/88/66/75/1072886675.db2.gz ZONMOCJDAHCCJI-LJQANCHMSA-N 0 0 427.505 -0.023 20 30 IBEDRN CC(C)n1cc(C#N)c(NC(=O)C(=O)N(C)CCOc2ccc(S(N)(=O)=O)cc2)n1 ZINC000556601680 1073323069 /nfs/dbraw/zinc/32/30/69/1073323069.db2.gz FRZORUQJPBBVKR-UHFFFAOYSA-N 0 0 434.478 0.459 20 30 IBEDRN CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NC[C@@]1(N2CCOCC2)CCSC1 ZINC000556668047 1073356780 /nfs/dbraw/zinc/35/67/80/1073356780.db2.gz DBRQHAQFZZIVHR-IBGZPJMESA-N 0 0 435.554 -0.421 20 30 IBEDRN CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NC[C@]1(N2CCOCC2)CCSC1 ZINC000556668048 1073356932 /nfs/dbraw/zinc/35/69/32/1073356932.db2.gz DBRQHAQFZZIVHR-LJQANCHMSA-N 0 0 435.554 -0.421 20 30 IBEDRN Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)c2cccc(F)c2)n(CC(N)=O)c1=O ZINC000556784917 1072904922 /nfs/dbraw/zinc/90/49/22/1072904922.db2.gz IORJIPLDIMRSEO-UHFFFAOYSA-N 0 0 425.445 -0.038 20 30 IBEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccc3occc3c2)c(=O)n1CC(N)=O ZINC000556785023 1072904779 /nfs/dbraw/zinc/90/47/79/1072904779.db2.gz OKFYFAWPOCFHBT-UHFFFAOYSA-N 0 0 438.465 -0.497 20 30 IBEDRN Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)c2ccccc2F)n(CC(N)=O)c1=O ZINC000556785157 1073251153 /nfs/dbraw/zinc/25/11/53/1073251153.db2.gz SMFWYNXMYYMAIE-UHFFFAOYSA-N 0 0 425.445 -0.038 20 30 IBEDRN C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCC(=O)N2CCN(c3ccccc3)CC2)C1=O ZINC000557239465 1074688468 /nfs/dbraw/zinc/68/84/68/1074688468.db2.gz PCALHHRNPDFYKK-GOSISDBHSA-N 0 0 427.505 -0.303 20 30 IBEDRN C=CCN1CC[C@H](N(C)C(=O)C(=O)NCC(=O)N2CCN(c3ccccc3)CC2)C1=O ZINC000557239470 1074688390 /nfs/dbraw/zinc/68/83/90/1074688390.db2.gz PCALHHRNPDFYKK-SFHVURJKSA-N 0 0 427.505 -0.303 20 30 IBEDRN C[C@H](CNC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)CN1CCOCC1 ZINC000557247121 1074689016 /nfs/dbraw/zinc/68/90/16/1074689016.db2.gz RHSCICZJRQLFMP-APWZRJJASA-N 0 0 427.505 -0.140 20 30 IBEDRN C[C@@H](CNC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)CN1CCOCC1 ZINC000557247122 1074688988 /nfs/dbraw/zinc/68/89/88/1074688988.db2.gz RHSCICZJRQLFMP-LPHOPBHVSA-N 0 0 427.505 -0.140 20 30 IBEDRN C[C@@H](CNC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)CN1CCOCC1 ZINC000557247123 1074689001 /nfs/dbraw/zinc/68/90/01/1074689001.db2.gz RHSCICZJRQLFMP-QFBILLFUSA-N 0 0 427.505 -0.140 20 30 IBEDRN C[C@H](CNC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)CN1CCOCC1 ZINC000557247124 1074688996 /nfs/dbraw/zinc/68/89/96/1074688996.db2.gz RHSCICZJRQLFMP-VQIMIIECSA-N 0 0 427.505 -0.140 20 30 IBEDRN COCCN1C(=O)N[C@@H]2CN(C(=O)CN(C)S(=O)(=O)c3ccc(C#N)cc3)CC[C@@H]21 ZINC000557265962 1074690871 /nfs/dbraw/zinc/69/08/71/1074690871.db2.gz NUSRAWJQFGXWRS-SJORKVTESA-N 0 0 435.506 -0.180 20 30 IBEDRN COc1ccc(NC(=O)C(=O)N2CCO[C@@H](C#N)C2)cc1S(=O)(=O)N1CCOCC1 ZINC000557288063 1074693194 /nfs/dbraw/zinc/69/31/94/1074693194.db2.gz HFRQCVDPYCATLO-AWEZNQCLSA-N 0 0 438.462 -0.594 20 30 IBEDRN COc1ccc(NC(=O)C(=O)N2CCO[C@H](C#N)C2)cc1S(=O)(=O)N1CCOCC1 ZINC000557288064 1074693158 /nfs/dbraw/zinc/69/31/58/1074693158.db2.gz HFRQCVDPYCATLO-CQSZACIVSA-N 0 0 438.462 -0.594 20 30 IBEDRN CN(CC(=O)N1C[C@H](C(N)=O)[C@@H](c2cnn(C)c2)C1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000557312153 1074693932 /nfs/dbraw/zinc/69/39/32/1074693932.db2.gz DABULSJFFJUIPV-SJORKVTESA-N 0 0 430.490 -0.360 20 30 IBEDRN COC(=O)c1cn(CCNC(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)nn1 ZINC000557359274 1073328557 /nfs/dbraw/zinc/32/85/57/1073328557.db2.gz IIVQKCIZURUPOU-UHFFFAOYSA-N 0 0 426.368 0.016 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H]2CCN(S(=O)(=O)c3cccs3)C2)C1=O ZINC000557362944 1074697428 /nfs/dbraw/zinc/69/74/28/1074697428.db2.gz INZQBSALFXMHBO-GFCCVEGCSA-N 0 0 440.503 -0.148 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H]2CCN(S(=O)(=O)c3cccs3)C2)C1=O ZINC000557362949 1074697457 /nfs/dbraw/zinc/69/74/57/1074697457.db2.gz INZQBSALFXMHBO-LBPRGKRZSA-N 0 0 440.503 -0.148 20 30 IBEDRN C=CCNC(=O)CN1CCN(c2ccc(S(=O)(=O)N(C)C)cc2S(N)(=O)=O)CC1 ZINC000557472792 1074701708 /nfs/dbraw/zinc/70/17/08/1074701708.db2.gz FMFDRNPSTUYRHS-UHFFFAOYSA-N 0 0 445.567 -0.992 20 30 IBEDRN N#Cc1ccc(S(=O)(=O)NCC(=O)NCCNS(=O)(=O)c2cccs2)cc1 ZINC000557536671 1074703609 /nfs/dbraw/zinc/70/36/09/1074703609.db2.gz BZFRUYFTBCFZJD-UHFFFAOYSA-N 0 0 428.517 -0.007 20 30 IBEDRN N#CCNC(=O)CN1CCN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1 ZINC000557663802 1074706816 /nfs/dbraw/zinc/70/68/16/1074706816.db2.gz NSCZRNFXSROVFW-UHFFFAOYSA-N 0 0 427.870 -0.383 20 30 IBEDRN N#CCNC(=O)CNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000557719254 1074709126 /nfs/dbraw/zinc/70/91/26/1074709126.db2.gz SLKHKCNMABMCBX-UHFFFAOYSA-N 0 0 439.469 -0.805 20 30 IBEDRN N#CCNC(=O)CNC(=O)CC12CC3CC(C1)CC(CC(=O)NCC(=O)NCC#N)(C3)C2 ZINC000557783759 1074711616 /nfs/dbraw/zinc/71/16/16/1074711616.db2.gz BRJWKQRDGPTYTJ-UHFFFAOYSA-N 0 0 442.520 -0.135 20 30 IBEDRN CC[C@@H](NC(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)C(=O)N1CCOCC1 ZINC000557950100 1074715244 /nfs/dbraw/zinc/71/52/44/1074715244.db2.gz DWIHMFAWYWZUNK-MSOLQXFVSA-N 0 0 441.488 -0.077 20 30 IBEDRN CC[C@@H](NC(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)C(=O)N1CCOCC1 ZINC000557950103 1070800585 /nfs/dbraw/zinc/80/05/85/1070800585.db2.gz DWIHMFAWYWZUNK-QZTJIDSGSA-N 0 0 441.488 -0.077 20 30 IBEDRN CC[C@H](NC(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)C(=O)N1CCOCC1 ZINC000557950105 1074715012 /nfs/dbraw/zinc/71/50/12/1074715012.db2.gz DWIHMFAWYWZUNK-ROUUACIJSA-N 0 0 441.488 -0.077 20 30 IBEDRN CC[C@H](NC(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)C(=O)N1CCOCC1 ZINC000557950108 1074715580 /nfs/dbraw/zinc/71/55/80/1074715580.db2.gz DWIHMFAWYWZUNK-ZWKOTPCHSA-N 0 0 441.488 -0.077 20 30 IBEDRN Cc1cc(N2CC[C@H](NC(=O)C(=O)N3CCN(c4ccc(C#N)cn4)CC3)C2=O)n(C)n1 ZINC000557953012 1074715502 /nfs/dbraw/zinc/71/55/02/1074715502.db2.gz WCNUHEKVOGUYEU-INIZCTEOSA-N 0 0 436.476 -0.435 20 30 IBEDRN Cc1cc(N2CC[C@@H](NC(=O)C(=O)N3CCN(c4ccc(C#N)cn4)CC3)C2=O)n(C)n1 ZINC000557953016 1074715432 /nfs/dbraw/zinc/71/54/32/1074715432.db2.gz WCNUHEKVOGUYEU-MRXNPFEDSA-N 0 0 436.476 -0.435 20 30 IBEDRN CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000557974016 1074716000 /nfs/dbraw/zinc/71/60/00/1074716000.db2.gz BUKBTSMFSZCRRD-OAHLLOKOSA-N 0 0 443.551 -0.434 20 30 IBEDRN CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1 ZINC000557980729 1074716116 /nfs/dbraw/zinc/71/61/16/1074716116.db2.gz QQBULXFPLWHQME-MRXNPFEDSA-N 0 0 428.536 -0.140 20 30 IBEDRN CN(C)C(=O)Cn1cnc(NC(=O)C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)n1 ZINC000557998262 1074716337 /nfs/dbraw/zinc/71/63/37/1074716337.db2.gz PGDGZQUHLKEEGF-UHFFFAOYSA-N 0 0 425.449 0.246 20 30 IBEDRN C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 ZINC000558042652 1074718231 /nfs/dbraw/zinc/71/82/31/1074718231.db2.gz HFAAEMIGJDQJIY-DZGCQCFKSA-N 0 0 443.551 -0.388 20 30 IBEDRN C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 ZINC000558042654 1074718314 /nfs/dbraw/zinc/71/83/14/1074718314.db2.gz HFAAEMIGJDQJIY-UKRRQHHQSA-N 0 0 443.551 -0.388 20 30 IBEDRN Cc1ccc(C(=O)N[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1S(=O)(=O)NCC#N ZINC000558045099 1074718494 /nfs/dbraw/zinc/71/84/94/1074718494.db2.gz OROHYGYOVGAPEE-OAHLLOKOSA-N 0 0 443.551 -0.203 20 30 IBEDRN N#Cc1ccc(S(=O)(=O)NCCN2CCN(S(=O)(=O)c3ccc(C#N)o3)CC2)o1 ZINC000558091925 1074720528 /nfs/dbraw/zinc/72/05/28/1074720528.db2.gz LVFVWAOAAHWMHM-UHFFFAOYSA-N 0 0 439.475 -0.099 20 30 IBEDRN Cc1nc(S(=O)(=O)N2CCN(CCS(=O)(=O)c3ccc(C#N)cn3)CC2)cn1C ZINC000558161221 1074722566 /nfs/dbraw/zinc/72/25/66/1074722566.db2.gz ZXJVLIZIWDRGHF-UHFFFAOYSA-N 0 0 438.535 -0.225 20 30 IBEDRN C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 ZINC000558214060 1074723684 /nfs/dbraw/zinc/72/36/84/1074723684.db2.gz GJXNEIPVHDWAGC-HUUCEWRRSA-N 0 0 436.542 -0.161 20 30 IBEDRN C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 ZINC000558214061 1074723881 /nfs/dbraw/zinc/72/38/81/1074723881.db2.gz GJXNEIPVHDWAGC-LSDHHAIUSA-N 0 0 436.542 -0.161 20 30 IBEDRN Cc1nn(C)c(N2CCN(C(=O)N[C@@H]3CCCN(S(=O)(=O)N(C)C)C3)CC2)c1C#N ZINC000558215792 1074724342 /nfs/dbraw/zinc/72/43/42/1074724342.db2.gz VSNCYOUMARGTFC-OAHLLOKOSA-N 0 0 438.558 -0.297 20 30 IBEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(OC)c2C)c(=O)n1CC(N)=O ZINC000558461038 1072162998 /nfs/dbraw/zinc/16/29/98/1072162998.db2.gz BANOSZIBSZOAHD-UHFFFAOYSA-N 0 0 442.497 -0.474 20 30 IBEDRN N#Cc1cncn(CC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)c1=O ZINC000558461970 1072163046 /nfs/dbraw/zinc/16/30/46/1072163046.db2.gz GYJKMSXEZHWLKS-UHFFFAOYSA-N 0 0 432.418 -0.444 20 30 IBEDRN C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000558525850 1072163716 /nfs/dbraw/zinc/16/37/16/1072163716.db2.gz BYLXCYNFTFMZFW-INIZCTEOSA-N 0 0 449.533 -0.772 20 30 IBEDRN C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000558525854 1072163547 /nfs/dbraw/zinc/16/35/47/1072163547.db2.gz BYLXCYNFTFMZFW-MRXNPFEDSA-N 0 0 449.533 -0.772 20 30 IBEDRN C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCCN(S(=O)(=O)N(C)C)CC2)cc1 ZINC000558537262 1072164256 /nfs/dbraw/zinc/16/42/56/1072164256.db2.gz IJRWOWZALBKVCK-UHFFFAOYSA-N 0 0 437.522 -0.118 20 30 IBEDRN CN(C)S(=O)(=O)N1CCCN(C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 ZINC000558539094 1072164363 /nfs/dbraw/zinc/16/43/63/1072164363.db2.gz VAZSSHMCVRCUHZ-UHFFFAOYSA-N 0 0 446.493 -0.582 20 30 IBEDRN CCOC(=O)C=c1sc(=Cc2cccc(F)c2C#N)c(=O)n1CC(=O)NCCOC ZINC000558589396 1072165480 /nfs/dbraw/zinc/16/54/80/1072165480.db2.gz PSGIMRWLBLLCEA-UHFFFAOYSA-N 0 0 433.461 -0.144 20 30 IBEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cc(F)ccc2OC)c(=O)n1CC(N)=O ZINC000558636750 1072166355 /nfs/dbraw/zinc/16/63/55/1072166355.db2.gz NJZHYHVPNUXQPS-UHFFFAOYSA-N 0 0 448.476 -0.801 20 30 IBEDRN CCOCCn1c(=O)c(=Cc2cccc(OC)n2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000558738953 1072167629 /nfs/dbraw/zinc/16/76/29/1072167629.db2.gz ZYPNLDFYZUIESA-UHFFFAOYSA-N 0 0 444.513 -0.288 20 30 IBEDRN COc1cccc(C=c2sc(=C(C#N)C(=O)Nc3ccccc3)n(CC(N)=O)c2=O)n1 ZINC000558741152 1072167665 /nfs/dbraw/zinc/16/76/65/1072167665.db2.gz LTFMFOWMZVSZQK-UHFFFAOYSA-N 0 0 435.465 -0.060 20 30 IBEDRN C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(=O)NCCOC)CC1 ZINC000558988797 1072172205 /nfs/dbraw/zinc/17/22/05/1072172205.db2.gz XRAYYDDZZNNLPH-HNNXBMFYSA-N 0 0 443.574 -0.651 20 30 IBEDRN C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(=O)NCCOC)CC1 ZINC000558988798 1072172347 /nfs/dbraw/zinc/17/23/47/1072172347.db2.gz XRAYYDDZZNNLPH-OAHLLOKOSA-N 0 0 443.574 -0.651 20 30 IBEDRN C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000559005623 1072172364 /nfs/dbraw/zinc/17/23/64/1072172364.db2.gz QORRTFYIXKOTCZ-INIZCTEOSA-N 0 0 442.542 -0.359 20 30 IBEDRN C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000559005624 1072172353 /nfs/dbraw/zinc/17/23/53/1072172353.db2.gz QORRTFYIXKOTCZ-MRXNPFEDSA-N 0 0 442.542 -0.359 20 30 IBEDRN C=C(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000559006480 1072172386 /nfs/dbraw/zinc/17/23/86/1072172386.db2.gz UFASCKZMZNZUET-UHFFFAOYSA-N 0 0 433.513 -0.500 20 30 IBEDRN C=CCNC(=O)CN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)C)CC1 ZINC000559079224 1072174228 /nfs/dbraw/zinc/17/42/28/1072174228.db2.gz OJZSUQGWWSCQRF-HNNXBMFYSA-N 0 0 427.575 -0.032 20 30 IBEDRN C=CCNC(=O)CN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(C)C)CC1 ZINC000559079230 1072174296 /nfs/dbraw/zinc/17/42/96/1072174296.db2.gz OJZSUQGWWSCQRF-OAHLLOKOSA-N 0 0 427.575 -0.032 20 30 IBEDRN CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccnn2CCCOC)c(=O)n1CC(N)=O ZINC000559152633 1072175076 /nfs/dbraw/zinc/17/50/76/1072175076.db2.gz ATFPYRAPTLNASJ-CYBMUJFWSA-N 0 0 431.518 -0.254 20 30 IBEDRN CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccnn2CCCOC)c(=O)n1CC(N)=O ZINC000559152641 1072175662 /nfs/dbraw/zinc/17/56/62/1072175662.db2.gz ATFPYRAPTLNASJ-ZDUSSCGKSA-N 0 0 431.518 -0.254 20 30 IBEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccnn3CCCOC)c(=O)n2C)CC1 ZINC000559155091 1072175706 /nfs/dbraw/zinc/17/57/06/1072175706.db2.gz ASACJNGJSDMNJS-UHFFFAOYSA-N 0 0 444.561 -0.653 20 30 IBEDRN N#Cc1ccncc1N1CCN(CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)CC1 ZINC000559259256 1072177652 /nfs/dbraw/zinc/17/76/52/1072177652.db2.gz VEJGTZLRKJGNMQ-GOSISDBHSA-N 0 0 432.550 -0.593 20 30 IBEDRN N#Cc1ccncc1N1CCN(CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)CC1 ZINC000559259257 1072177621 /nfs/dbraw/zinc/17/76/21/1072177621.db2.gz VEJGTZLRKJGNMQ-SFHVURJKSA-N 0 0 432.550 -0.593 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)CC1 ZINC000559393658 1072184522 /nfs/dbraw/zinc/18/45/22/1072184522.db2.gz UZSVZIGPEWDOHS-FQEVSTJZSA-N 0 0 443.548 -0.550 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)CC1 ZINC000559393659 1072184419 /nfs/dbraw/zinc/18/44/19/1072184419.db2.gz UZSVZIGPEWDOHS-HXUWFJFHSA-N 0 0 443.548 -0.550 20 30 IBEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2C)c(=O)n1CC(N)=O ZINC000559445307 1072187052 /nfs/dbraw/zinc/18/70/52/1072187052.db2.gz DIFBEYIHYDIGNG-UHFFFAOYSA-N 0 0 428.514 -0.251 20 30 IBEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccccc2Cl)c(=O)n1CC(N)=O ZINC000559446389 1072187509 /nfs/dbraw/zinc/18/75/09/1072187509.db2.gz ADASZIWRNRGPSN-UHFFFAOYSA-N 0 0 432.889 -0.590 20 30 IBEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cccs3)c(=O)n2CC(N)=O)CC1 ZINC000559446766 1072188064 /nfs/dbraw/zinc/18/80/64/1072188064.db2.gz GBDRTGUGPJWXNH-UHFFFAOYSA-N 0 0 431.543 -0.876 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2ccc(CN3CCOCC3)cc2)CC1 ZINC000559461362 1072188678 /nfs/dbraw/zinc/18/86/78/1072188678.db2.gz WFGBVUIPVIXFSH-UHFFFAOYSA-N 0 0 443.548 -0.419 20 30 IBEDRN Cc1nn(C)c(N2CCN(C(=O)C(=O)NC[C@H](C(C)C)N3CCOCC3)CC2)c1C#N ZINC000559550941 1072195524 /nfs/dbraw/zinc/19/55/24/1072195524.db2.gz AVKZVPXQHRMEMB-GOSISDBHSA-N 0 0 431.541 -0.278 20 30 IBEDRN Cc1nn(C)c(N2CCN(C(=O)C(=O)NC[C@@H](C(C)C)N3CCOCC3)CC2)c1C#N ZINC000559550942 1072195331 /nfs/dbraw/zinc/19/53/31/1072195331.db2.gz AVKZVPXQHRMEMB-SFHVURJKSA-N 0 0 431.541 -0.278 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)NC2CCN(C(=O)c3ccco3)CC2)CC1 ZINC000559569432 1072196679 /nfs/dbraw/zinc/19/66/79/1072196679.db2.gz VSZQAQCQAWPTEH-UHFFFAOYSA-N 0 0 431.493 -0.553 20 30 IBEDRN N#Cc1ccnc(N2CCN(C(=O)C(=O)NCCNS(=O)(=O)c3ccccc3)CC2)c1 ZINC000559590943 1072198450 /nfs/dbraw/zinc/19/84/50/1072198450.db2.gz OUHNQVZETRFDNE-UHFFFAOYSA-N 0 0 442.501 -0.303 20 30 IBEDRN N#Cc1ccc(N2CCN(C(=O)C(=O)NCCNS(=O)(=O)c3ccccc3)CC2)nc1 ZINC000559593552 1072198844 /nfs/dbraw/zinc/19/88/44/1072198844.db2.gz NZPICSHWEQDARM-UHFFFAOYSA-N 0 0 442.501 -0.303 20 30 IBEDRN N#Cc1cccc(N2CCN(C(=O)C(=O)NCCNS(=O)(=O)c3ccccc3)CC2)n1 ZINC000559593684 1072199849 /nfs/dbraw/zinc/19/98/49/1072199849.db2.gz RDDBMWKKLACDGF-UHFFFAOYSA-N 0 0 442.501 -0.303 20 30 IBEDRN CNC(=O)[C@H]1CN(c2cc(N3CCO[C@H](C(=O)NC)C3)c(C#N)cc2[N+](=O)[O-])CCO1 ZINC000559614430 1072202632 /nfs/dbraw/zinc/20/26/32/1072202632.db2.gz ORCBKJXBVHUBMO-DLBZAZTESA-N 0 0 432.437 -0.631 20 30 IBEDRN CNC(=O)[C@H]1CN(c2cc(N3CCO[C@@H](C(=O)NC)C3)c([N+](=O)[O-])cc2C#N)CCO1 ZINC000559614434 1072202443 /nfs/dbraw/zinc/20/24/43/1072202443.db2.gz ORCBKJXBVHUBMO-IAGOWNOFSA-N 0 0 432.437 -0.631 20 30 IBEDRN CNC(=O)[C@@H]1CN(c2cc(N3CCO[C@H](C(=O)NC)C3)c([N+](=O)[O-])cc2C#N)CCO1 ZINC000559614436 1072202744 /nfs/dbraw/zinc/20/27/44/1072202744.db2.gz ORCBKJXBVHUBMO-IRXDYDNUSA-N 0 0 432.437 -0.631 20 30 IBEDRN CNC(=O)[C@H]1CN(c2cc(N3CCO[C@H](C(=O)NC)C3)c([N+](=O)[O-])cc2C#N)CCO1 ZINC000559614438 1072202420 /nfs/dbraw/zinc/20/24/20/1072202420.db2.gz ORCBKJXBVHUBMO-SJORKVTESA-N 0 0 432.437 -0.631 20 30 IBEDRN CN(C)S(=O)(=O)N(CC#N)CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000559645905 1072203589 /nfs/dbraw/zinc/20/35/89/1072203589.db2.gz ZUBAMTDDDZTQPX-UHFFFAOYSA-N 0 0 432.524 -0.282 20 30 IBEDRN CCCS(=O)(=O)N1CCC(NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)CC1 ZINC000559659314 1072204228 /nfs/dbraw/zinc/20/42/28/1072204228.db2.gz XFZZFUXVEPAGPM-UHFFFAOYSA-N 0 0 448.549 -0.078 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2nc(C(C)(C)C(=O)OC)cs2)CC1 ZINC000559659657 1072204640 /nfs/dbraw/zinc/20/46/40/1072204640.db2.gz YDXHSCUIAQKXJC-UHFFFAOYSA-N 0 0 437.522 -0.021 20 30 IBEDRN N#Cc1cc(NC(=O)C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)ccc1Br ZINC000559660919 1072204874 /nfs/dbraw/zinc/20/48/74/1072204874.db2.gz IFPZXVYANMNCII-UHFFFAOYSA-N 0 0 447.253 -0.383 20 30 IBEDRN N#Cc1cc(NC(=O)C(=O)N2CCN(CCS(N)(=O)=O)CC2)ccc1Br ZINC000559679423 1072207787 /nfs/dbraw/zinc/20/77/87/1072207787.db2.gz UPZWDKSMKJMIIZ-UHFFFAOYSA-N 0 0 444.311 -0.308 20 30 IBEDRN CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000559684739 1073356787 /nfs/dbraw/zinc/35/67/87/1073356787.db2.gz DQAFAEYEAHSUEY-UHFFFAOYSA-N 0 0 439.524 -0.282 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2ccc(OC)c(OC)c2OC)CC1 ZINC000559719131 1072209871 /nfs/dbraw/zinc/20/98/71/1072209871.db2.gz KYNLXTIFPWNAKA-UHFFFAOYSA-N 0 0 434.493 -0.225 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2ccccc2CN2CCCC2=O)CC1 ZINC000559741423 1072210606 /nfs/dbraw/zinc/21/06/06/1072210606.db2.gz RGWDPJAWXKHIIO-UHFFFAOYSA-N 0 0 441.532 -0.128 20 30 IBEDRN CN1CCN(C(=O)CCNC(=O)C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)CC1 ZINC000559771924 1072214341 /nfs/dbraw/zinc/21/43/41/1072214341.db2.gz AOGAICCEVJHVMA-IBGZPJMESA-N 0 0 426.521 -0.497 20 30 IBEDRN CN1CCN(C(=O)CCNC(=O)C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)CC1 ZINC000559771925 1072214308 /nfs/dbraw/zinc/21/43/08/1072214308.db2.gz AOGAICCEVJHVMA-LJQANCHMSA-N 0 0 426.521 -0.497 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H](CN2CCCC2=O)c2ccccc2)CC1 ZINC000559773072 1072214495 /nfs/dbraw/zinc/21/44/95/1072214495.db2.gz SSHSWIBWAZRTRL-IBGZPJMESA-N 0 0 441.532 -0.087 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H](CN2CCCC2=O)c2ccccc2)CC1 ZINC000559773073 1072214487 /nfs/dbraw/zinc/21/44/87/1072214487.db2.gz SSHSWIBWAZRTRL-LJQANCHMSA-N 0 0 441.532 -0.087 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@@H](c2ccccc2)N2CCOCC2)CC1 ZINC000559826875 1072217865 /nfs/dbraw/zinc/21/78/65/1072217865.db2.gz BRFMHBTWRNOSJP-FQEVSTJZSA-N 0 0 443.548 -0.378 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@H](c2ccccc2)N2CCOCC2)CC1 ZINC000559826881 1072217682 /nfs/dbraw/zinc/21/76/82/1072217682.db2.gz BRFMHBTWRNOSJP-HXUWFJFHSA-N 0 0 443.548 -0.378 20 30 IBEDRN C=CCN(CCOC)C(=O)C(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000559844891 1072219489 /nfs/dbraw/zinc/21/94/89/1072219489.db2.gz LNKNAGHKQCYRIT-UHFFFAOYSA-N 0 0 439.538 -0.689 20 30 IBEDRN CCCNC(=O)CN1CCC(NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)CC1 ZINC000559851063 1072220828 /nfs/dbraw/zinc/22/08/28/1072220828.db2.gz GKGLSALIADKPDR-UHFFFAOYSA-N 0 0 441.536 -0.291 20 30 IBEDRN N#Cc1ccnc(N2CCN(C(=O)C(=O)NCCN3CCN(c4ncccn4)CC3)CC2)c1 ZINC000559853722 1072221484 /nfs/dbraw/zinc/22/14/84/1072221484.db2.gz BXQDVCDBDVDTJZ-UHFFFAOYSA-N 0 0 449.519 -0.670 20 30 IBEDRN N#Cc1cccnc1N1CCN(C(=O)C(=O)NCCN2CCN(c3ncccn3)CC2)CC1 ZINC000559855246 1072221347 /nfs/dbraw/zinc/22/13/47/1072221347.db2.gz MYHCJCXZLXFWHO-UHFFFAOYSA-N 0 0 449.519 -0.670 20 30 IBEDRN CN(C)c1cc(C#N)cc(C(=O)N2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)c1 ZINC000559889749 1072224195 /nfs/dbraw/zinc/22/41/95/1072224195.db2.gz FCSAYOWJIBLLBP-KRWDZBQOSA-N 0 0 433.534 -0.315 20 30 IBEDRN CN(C)c1cc(C#N)cc(C(=O)N2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)c1 ZINC000559889753 1072224181 /nfs/dbraw/zinc/22/41/81/1072224181.db2.gz FCSAYOWJIBLLBP-QGZVFWFLSA-N 0 0 433.534 -0.315 20 30 IBEDRN COc1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CC(N)=O)c2=O)ccc1C ZINC000559931713 1072226373 /nfs/dbraw/zinc/22/63/73/1072226373.db2.gz ASDFRXMCPOORCQ-UHFFFAOYSA-N 0 0 442.497 -0.926 20 30 IBEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OCC)c(F)c2)c(=O)n1CC(N)=O ZINC000559968189 1072227105 /nfs/dbraw/zinc/22/71/05/1072227105.db2.gz DKRMQZYMLPOIQV-UHFFFAOYSA-N 0 0 432.477 -0.038 20 30 IBEDRN N#Cc1ccc(O[C@H]2CCN(C(=O)C(=O)Nc3cccc(C(=O)NCC(N)=O)c3)C2)nc1 ZINC000559985809 1072227908 /nfs/dbraw/zinc/22/79/08/1072227908.db2.gz APVMSTPGNRXXAY-INIZCTEOSA-N 0 0 436.428 -0.213 20 30 IBEDRN N#Cc1ccc(O[C@@H]2CCN(C(=O)C(=O)Nc3cccc(C(=O)NCC(N)=O)c3)C2)nc1 ZINC000559985810 1072227957 /nfs/dbraw/zinc/22/79/57/1072227957.db2.gz APVMSTPGNRXXAY-MRXNPFEDSA-N 0 0 436.428 -0.213 20 30 IBEDRN N#Cc1ccc(O[C@H]2CCN(C(=O)C(=O)Nc3ccn(CCN4CCOCC4)n3)C2)nc1 ZINC000559987718 1073316282 /nfs/dbraw/zinc/31/62/82/1073316282.db2.gz ZKFBEELAQICNFQ-KRWDZBQOSA-N 0 0 439.476 0.100 20 30 IBEDRN N#Cc1ccc(O[C@@H]2CCN(C(=O)C(=O)Nc3ccn(CCN4CCOCC4)n3)C2)nc1 ZINC000559987719 1073315824 /nfs/dbraw/zinc/31/58/24/1073315824.db2.gz ZKFBEELAQICNFQ-QGZVFWFLSA-N 0 0 439.476 0.100 20 30 IBEDRN Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@H]3CCCN(c4ncccn4)C3)CC2)c1C#N ZINC000560022019 1072229859 /nfs/dbraw/zinc/22/98/59/1072229859.db2.gz OXZMTSAOSQBYCY-INIZCTEOSA-N 0 0 437.508 -0.176 20 30 IBEDRN Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H]3CCCN(c4ncccn4)C3)CC2)c1C#N ZINC000560022020 1072229630 /nfs/dbraw/zinc/22/96/30/1072229630.db2.gz OXZMTSAOSQBYCY-MRXNPFEDSA-N 0 0 437.508 -0.176 20 30 IBEDRN N#Cc1ccncc1N1CCN(C(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)CC1 ZINC000560051337 1072231505 /nfs/dbraw/zinc/23/15/05/1072231505.db2.gz KGSCAVAVPGFBBY-UHFFFAOYSA-N 0 0 434.460 -0.428 20 30 IBEDRN CCOC(=O)Cn1cccc(NC(=O)C(=O)N2CCN(c3cnccc3C#N)CC2)c1=O ZINC000560053440 1072231881 /nfs/dbraw/zinc/23/18/81/1072231881.db2.gz POHXVPGWNKAQBH-UHFFFAOYSA-N 0 0 438.444 -0.035 20 30 IBEDRN COC(=O)c1cn(CCNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)nn1 ZINC000560105125 1072232570 /nfs/dbraw/zinc/23/25/70/1072232570.db2.gz IXJIMPQMPPFHTJ-UHFFFAOYSA-N 0 0 447.477 -0.348 20 30 IBEDRN CN(C1CCN(CC#CCN2CCC(N(C)S(C)(=O)=O)CC2)CC1)S(C)(=O)=O ZINC000560160306 1072233125 /nfs/dbraw/zinc/23/31/25/1072233125.db2.gz UMYZDNMTIZDXMK-UHFFFAOYSA-N 0 0 434.628 -0.299 20 30 IBEDRN CN(CC(N)=O)C(=O)c1cccc(NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)c1 ZINC000560173663 1070890432 /nfs/dbraw/zinc/89/04/32/1070890432.db2.gz QUHXTMFKGAIVKX-UHFFFAOYSA-N 0 0 449.471 -0.202 20 30 IBEDRN CN(CC(N)=O)C(=O)c1cccc(NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)c1 ZINC000560180069 1072233065 /nfs/dbraw/zinc/23/30/65/1072233065.db2.gz YPBWZTOFIQYWPQ-UHFFFAOYSA-N 0 0 449.471 -0.202 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(Cl)cc(C(N)=O)c2OC)CC1 ZINC000560225127 1072235334 /nfs/dbraw/zinc/23/53/34/1072235334.db2.gz WSKMSBJFZMNSFH-UHFFFAOYSA-N 0 0 437.884 -0.168 20 30 IBEDRN COCC(=O)N1CCC(NC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000560256578 1072235783 /nfs/dbraw/zinc/23/57/83/1072235783.db2.gz NYASHZYXQBPKEA-GOSISDBHSA-N 0 0 441.488 -0.077 20 30 IBEDRN COCC(=O)N1CCC(NC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000560256581 1072235798 /nfs/dbraw/zinc/23/57/98/1072235798.db2.gz NYASHZYXQBPKEA-SFHVURJKSA-N 0 0 441.488 -0.077 20 30 IBEDRN N#Cc1ccnc(N2CCN(C(=O)C(=O)NCCCn3nc4n(c3=O)CCCC4)CC2)c1 ZINC000560288572 1072237413 /nfs/dbraw/zinc/23/74/13/1072237413.db2.gz QBJCCLXIPREOMQ-UHFFFAOYSA-N 0 0 438.492 -0.497 20 30 IBEDRN N#Cc1cccnc1N1CCN(C(=O)C(=O)NCCCn2nc3n(c2=O)CCCC3)CC1 ZINC000560289089 1072237563 /nfs/dbraw/zinc/23/75/63/1072237563.db2.gz TYBFXXUZCKVVAS-UHFFFAOYSA-N 0 0 438.492 -0.497 20 30 IBEDRN Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)c2ccc(F)cc2)n(CC(N)=O)c1=O ZINC000560429179 1072240024 /nfs/dbraw/zinc/24/00/24/1072240024.db2.gz VIAQFWLSQFSBND-UHFFFAOYSA-N 0 0 425.445 -0.038 20 30 IBEDRN Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)N(C)c2ccccc2)n(CC(N)=O)c1=O ZINC000560429301 1072240231 /nfs/dbraw/zinc/24/02/31/1072240231.db2.gz MBTOKSDEFRZCAD-UHFFFAOYSA-N 0 0 436.497 -0.397 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H]2CCn3ncc(C(=O)NC(C)C)c3C2)C1=O ZINC000560728415 1072246177 /nfs/dbraw/zinc/24/61/77/1072246177.db2.gz NZUFUQJNUMINIE-CYBMUJFWSA-N 0 0 430.465 -0.323 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H]2CCn3ncc(C(=O)NC(C)C)c3C2)C1=O ZINC000560728421 1072246164 /nfs/dbraw/zinc/24/61/64/1072246164.db2.gz NZUFUQJNUMINIE-ZDUSSCGKSA-N 0 0 430.465 -0.323 20 30 IBEDRN CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)NCCn2cnc(C#N)n2)cc1 ZINC000560757333 1072246518 /nfs/dbraw/zinc/24/65/18/1072246518.db2.gz XIWYRUVIOMHQNW-UHFFFAOYSA-N 0 0 433.494 -0.274 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2cccc(CS(C)(=O)=O)c2)CC1 ZINC000560836382 1072248904 /nfs/dbraw/zinc/24/89/04/1072248904.db2.gz YMVRADVEKZBCIB-UHFFFAOYSA-N 0 0 436.534 -0.706 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2=O)CC1 ZINC000560876101 1072250017 /nfs/dbraw/zinc/25/00/17/1072250017.db2.gz OMBUNDMFIQSXSJ-GOSISDBHSA-N 0 0 427.505 -0.650 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H]2CCN(Cc3ccccc3)C2=O)CC1 ZINC000560876110 1072249980 /nfs/dbraw/zinc/24/99/80/1072249980.db2.gz OMBUNDMFIQSXSJ-SFHVURJKSA-N 0 0 427.505 -0.650 20 30 IBEDRN N#Cc1ccc(CN2CCCN(C(=O)C(=O)NCCNC(=O)c3cnccn3)CC2)cc1 ZINC000560915059 1070912601 /nfs/dbraw/zinc/91/26/01/1070912601.db2.gz FWTROVUKLJCXSC-UHFFFAOYSA-N 0 0 435.488 -0.071 20 30 IBEDRN CN(CC(=O)N1C[C@H](F)C[C@H]1C(=O)N1CCOCC1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000560924849 1072256231 /nfs/dbraw/zinc/25/62/31/1072256231.db2.gz DDYQEVKZLQAJFB-WBVHZDCISA-N 0 0 438.481 -0.023 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2ccc(OC)c(NC(C)=O)c2)CC1 ZINC000560970034 1072258284 /nfs/dbraw/zinc/25/82/84/1072258284.db2.gz UDHWZAPVLLKKNY-UHFFFAOYSA-N 0 0 431.493 -0.284 20 30 IBEDRN CN(CCc1ccccn1)C(=O)CNC(=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1 ZINC000560980780 1070913480 /nfs/dbraw/zinc/91/34/80/1070913480.db2.gz GWIXKLCCIDTFFA-UHFFFAOYSA-N 0 0 435.488 -0.186 20 30 IBEDRN CN(CCc1ccccn1)C(=O)CNC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 ZINC000560981829 1072258927 /nfs/dbraw/zinc/25/89/27/1072258927.db2.gz WZVVUDKCMQZXLQ-UHFFFAOYSA-N 0 0 435.488 -0.186 20 30 IBEDRN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 ZINC000560985279 1072260389 /nfs/dbraw/zinc/26/03/89/1072260389.db2.gz DHYOQOWSISHCJN-AEFFLSMTSA-N 0 0 430.509 -0.271 20 30 IBEDRN C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 ZINC000560985280 1072260236 /nfs/dbraw/zinc/26/02/36/1072260236.db2.gz DHYOQOWSISHCJN-FUHWJXTLSA-N 0 0 430.509 -0.271 20 30 IBEDRN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 ZINC000560985281 1072260230 /nfs/dbraw/zinc/26/02/30/1072260230.db2.gz DHYOQOWSISHCJN-SJLPKXTDSA-N 0 0 430.509 -0.271 20 30 IBEDRN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 ZINC000560985282 1072260218 /nfs/dbraw/zinc/26/02/18/1072260218.db2.gz DHYOQOWSISHCJN-WMZOPIPTSA-N 0 0 430.509 -0.271 20 30 IBEDRN CN(CCc1ccccn1)C(=O)CNC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 ZINC000560986153 1072261037 /nfs/dbraw/zinc/26/10/37/1072261037.db2.gz OQCQNVMPZHYLRU-UHFFFAOYSA-N 0 0 435.488 -0.186 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(C)c(NS(C)(=O)=O)c2)CC1 ZINC000561011033 1072261548 /nfs/dbraw/zinc/26/15/48/1072261548.db2.gz PZKCQBCXVATCLB-UHFFFAOYSA-N 0 0 437.522 -0.249 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)NC2CCN(C(=O)c3ccoc3)CC2)CC1 ZINC000561076549 1072264445 /nfs/dbraw/zinc/26/44/45/1072264445.db2.gz NTVHNJQIGOVQHK-UHFFFAOYSA-N 0 0 431.493 -0.553 20 30 IBEDRN Cn1c(=O)c(C#N)c(N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)n(C)c1=O ZINC000561185060 1072269414 /nfs/dbraw/zinc/26/94/14/1072269414.db2.gz XPNNXCZELYGYHY-UHFFFAOYSA-N 0 0 434.434 -0.625 20 30 IBEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCCN2C(=O)CNC2=O)cc1 ZINC000561242379 1072270633 /nfs/dbraw/zinc/27/06/33/1072270633.db2.gz SFBHBKCOJFHVQR-UHFFFAOYSA-N 0 0 437.478 -0.510 20 30 IBEDRN CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NCCn2cnc(C#N)n2)o1 ZINC000561275228 1072271310 /nfs/dbraw/zinc/27/13/10/1072271310.db2.gz SCPKJPAAHYTOIH-GFCCVEGCSA-N 0 0 436.450 -0.111 20 30 IBEDRN CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NCCn2cnc(C#N)n2)o1 ZINC000561275229 1072271322 /nfs/dbraw/zinc/27/13/22/1072271322.db2.gz SCPKJPAAHYTOIH-LBPRGKRZSA-N 0 0 436.450 -0.111 20 30 IBEDRN Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)NCC(=O)NCC#N)CC2)cc1 ZINC000561397936 1072277382 /nfs/dbraw/zinc/27/73/82/1072277382.db2.gz YPHKIAJIDNMIRF-UHFFFAOYSA-N 0 0 435.506 -0.636 20 30 IBEDRN CCC(CC)(NC(=O)C1CN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)C1)C(N)=O ZINC000561418408 1072278504 /nfs/dbraw/zinc/27/85/04/1072278504.db2.gz YJXRDNGYVBRGQM-CYBMUJFWSA-N 0 0 449.533 -0.156 20 30 IBEDRN CCC(CC)(NC(=O)C1CN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)C1)C(N)=O ZINC000561418413 1072278383 /nfs/dbraw/zinc/27/83/83/1072278383.db2.gz YJXRDNGYVBRGQM-ZDUSSCGKSA-N 0 0 449.533 -0.156 20 30 IBEDRN N#Cc1ccncc1N1CCN(C(=O)Cn2c3ccc(S(N)(=O)=O)cc3oc2=O)CC1 ZINC000561431837 1072278515 /nfs/dbraw/zinc/27/85/15/1072278515.db2.gz HLGYUAYTHBZUCJ-UHFFFAOYSA-N 0 0 442.457 -0.143 20 30 IBEDRN C=CCn1c2nnc(SCC(=O)NCC(=O)NCC(=O)OC)n2c2ccccc2c1=O ZINC000561522310 1072282478 /nfs/dbraw/zinc/28/24/78/1072282478.db2.gz DGNDODDPSCLEIS-UHFFFAOYSA-N 0 0 444.473 -0.272 20 30 IBEDRN CN1CCN(S(=O)(=O)c2ccccc2CNC(=O)NCCn2cnc(C#N)n2)CC1 ZINC000561568115 1072284631 /nfs/dbraw/zinc/28/46/31/1072284631.db2.gz PVBCYPNGRPKJNI-UHFFFAOYSA-N 0 0 432.510 -0.415 20 30 IBEDRN COCCCN(C(=O)CNS(=O)(=O)c1ccc(C#N)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000561571094 1072284678 /nfs/dbraw/zinc/28/46/78/1072284678.db2.gz OZJQHJCZQFRRHJ-HNNXBMFYSA-N 0 0 429.520 -0.111 20 30 IBEDRN COCCCN(C(=O)CNS(=O)(=O)c1ccc(C#N)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000561571095 1070998138 /nfs/dbraw/zinc/99/81/38/1070998138.db2.gz OZJQHJCZQFRRHJ-OAHLLOKOSA-N 0 0 429.520 -0.111 20 30 IBEDRN Cc1nn(C)c(N2CCN(C(=O)C(=O)NC3CCN(c4cccnn4)CC3)CC2)c1C#N ZINC000561635675 1072287672 /nfs/dbraw/zinc/28/76/72/1072287672.db2.gz GGUSZLYCDQCNCN-UHFFFAOYSA-N 0 0 437.508 -0.176 20 30 IBEDRN N#Cc1ccc(-n2ccc(NC(=O)C(=O)NCCN3CCCS3(=O)=O)n2)c(Cl)c1 ZINC000561669402 1072288101 /nfs/dbraw/zinc/28/81/01/1072288101.db2.gz WWAXRDIECYWMSB-UHFFFAOYSA-N 0 0 436.881 0.488 20 30 IBEDRN CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1 ZINC000561705358 1072289532 /nfs/dbraw/zinc/28/95/32/1072289532.db2.gz XGPNERPHUJOPRC-OAHLLOKOSA-N 0 0 443.551 -0.121 20 30 IBEDRN CN(C)C(=O)CN1CCC(NC(=O)C(=O)N2CCN(c3ccccc3C#N)CC2)CC1 ZINC000561761836 1071032579 /nfs/dbraw/zinc/03/25/79/1071032579.db2.gz XVYAAMHXYQGICH-UHFFFAOYSA-N 0 0 426.521 -0.124 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCN(Cc3ccc(OC)cc3OC)C2=O)C1=O ZINC000561765634 1072293177 /nfs/dbraw/zinc/29/31/77/1072293177.db2.gz SKSDOOQDPUFDKG-HNNXBMFYSA-N 0 0 444.444 -0.102 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCN(Cc3ccc(OC)cc3OC)C2=O)C1=O ZINC000561765642 1072293317 /nfs/dbraw/zinc/29/33/17/1072293317.db2.gz SKSDOOQDPUFDKG-OAHLLOKOSA-N 0 0 444.444 -0.102 20 30 IBEDRN CCS(=O)(=O)N1CCN(CC#CCN2CCN(S(=O)(=O)CC)C[C@H]2C)[C@H](C)C1 ZINC000561902861 1072298402 /nfs/dbraw/zinc/29/84/02/1072298402.db2.gz ZDUKQULZOZRMTH-QZTJIDSGSA-N 0 0 434.628 -0.299 20 30 IBEDRN COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)NCCn3cnc(C#N)n3)CC2)c1 ZINC000561937750 1072300098 /nfs/dbraw/zinc/30/00/98/1072300098.db2.gz ZABDYNVEHPSQLR-UHFFFAOYSA-N 0 0 449.493 -0.117 20 30 IBEDRN C=CCOc1ccccc1CNC(=O)C(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000561953758 1072300441 /nfs/dbraw/zinc/30/04/41/1072300441.db2.gz JUMYHHNFYDOERB-UHFFFAOYSA-N 0 0 430.505 -0.129 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2cccnc2OCC(F)F)CC1 ZINC000561956497 1072300673 /nfs/dbraw/zinc/30/06/73/1072300673.db2.gz JKENLSBNDJCUKL-UHFFFAOYSA-N 0 0 425.436 -0.212 20 30 IBEDRN Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN(S(=O)(=O)c4cc[nH]n4)CC3)CC2)o1 ZINC000562037933 1071085165 /nfs/dbraw/zinc/08/51/65/1071085165.db2.gz DJWXFTZIIBOCIY-UHFFFAOYSA-N 0 0 448.509 -0.767 20 30 IBEDRN CCOc1ccc(NC(=O)NCC(=O)NCC#N)cc1S(=O)(=O)N1CCOCC1 ZINC000562046270 1072305294 /nfs/dbraw/zinc/30/52/94/1072305294.db2.gz CSWJSFJGVJPQIV-UHFFFAOYSA-N 0 0 425.467 -0.133 20 30 IBEDRN N#Cc1cccc(S(=O)(=O)NCC(=O)NCCN2CCN(c3ncccn3)CC2)c1 ZINC000562081690 1072305749 /nfs/dbraw/zinc/30/57/49/1072305749.db2.gz QHWRBCGQQAOBHC-UHFFFAOYSA-N 0 0 429.506 -0.435 20 30 IBEDRN N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N2CCN(c3ccc(C(N)=O)cn3)CC2)n1 ZINC000562124092 1072307499 /nfs/dbraw/zinc/30/74/99/1072307499.db2.gz BPZWCCHCNKHBAQ-UHFFFAOYSA-N 0 0 445.443 -0.080 20 30 IBEDRN COc1ccc(F)cc1C=c1sc(=C(C#N)C(=O)[C@@H]2CCOC2)n(CC(N)=O)c1=O ZINC000562268391 1072313041 /nfs/dbraw/zinc/31/30/41/1072313041.db2.gz LJFFOQMPNGHFFF-LLVKDONJSA-N 0 0 431.445 -0.349 20 30 IBEDRN COc1ccc(F)cc1C=c1sc(=C(C#N)C(=O)[C@H]2CCOC2)n(CC(N)=O)c1=O ZINC000562268392 1072313190 /nfs/dbraw/zinc/31/31/90/1072313190.db2.gz LJFFOQMPNGHFFF-NSHDSACASA-N 0 0 431.445 -0.349 20 30 IBEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(OC)c2C)c(=O)n1CC(N)=O ZINC000562293557 1072313071 /nfs/dbraw/zinc/31/30/71/1072313071.db2.gz OHMXDHKJKOKNKU-UHFFFAOYSA-N 0 0 444.513 -0.250 20 30 IBEDRN N#CC(C(=O)[C@@H]1CCOC1)=c1sc(=Cc2cc(F)c(F)cc2F)c(=O)n1CC(N)=O ZINC000562351922 1072313674 /nfs/dbraw/zinc/31/36/74/1072313674.db2.gz YDKYBAJTMNSAOM-SECBINFHSA-N 0 0 437.399 -0.079 20 30 IBEDRN N#CC(C(=O)[C@H]1CCOC1)=c1sc(=Cc2cc(F)c(F)cc2F)c(=O)n1CC(N)=O ZINC000562351925 1072313629 /nfs/dbraw/zinc/31/36/29/1072313629.db2.gz YDKYBAJTMNSAOM-VIFPVBQESA-N 0 0 437.399 -0.079 20 30 IBEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2nc3ccc(F)cc3s2)c(=O)n1CC(N)=O ZINC000562412765 1072314244 /nfs/dbraw/zinc/31/42/44/1072314244.db2.gz BHEVNTZGFWPAFD-UHFFFAOYSA-N 0 0 443.485 -0.051 20 30 IBEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccnn2-c2ccccc2)c(=O)n1CC(N)=O ZINC000562606317 1072315888 /nfs/dbraw/zinc/31/58/88/1072315888.db2.gz YTDJWZLHQAOONL-UHFFFAOYSA-N 0 0 434.481 -0.614 20 30 IBEDRN CN(C)S(=O)(=O)CCNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000562813869 1072320985 /nfs/dbraw/zinc/32/09/85/1072320985.db2.gz DVSGIPDDSSUUJS-UHFFFAOYSA-N 0 0 429.524 -0.534 20 30 IBEDRN N#CCNC(=O)CNC(=O)CS(=O)(=O)CC(=O)Nc1cccc(Br)c1 ZINC000562869327 1072323365 /nfs/dbraw/zinc/32/33/65/1072323365.db2.gz IWYVSGFTHGLWCE-UHFFFAOYSA-N 0 0 431.268 -0.442 20 30 IBEDRN C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 ZINC000563274922 1072326768 /nfs/dbraw/zinc/32/67/68/1072326768.db2.gz ZHUWRYNCCVYXLV-DZGCQCFKSA-N 0 0 443.551 -0.388 20 30 IBEDRN C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 ZINC000563274923 1072326862 /nfs/dbraw/zinc/32/68/62/1072326862.db2.gz ZHUWRYNCCVYXLV-UKRRQHHQSA-N 0 0 443.551 -0.388 20 30 IBEDRN CCS(=O)(=O)N(C)CCCNC(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC000563289411 1072326876 /nfs/dbraw/zinc/32/68/76/1072326876.db2.gz SUGQROVXAXKFNA-UHFFFAOYSA-N 0 0 439.542 -0.963 20 30 IBEDRN CCOCCn1c(=O)c(=Cc2c(C)cnn2C)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000563462873 1072328344 /nfs/dbraw/zinc/32/83/44/1072328344.db2.gz VGYFBTHRBTYYEE-UHFFFAOYSA-N 0 0 431.518 -0.650 20 30 IBEDRN N#CC(C(=O)NC1CC1)=c1sc(=Cc2nc3ccc(F)cc3s2)c(=O)n1CC(N)=O ZINC000563589144 1072331187 /nfs/dbraw/zinc/33/11/87/1072331187.db2.gz WZEBWLRGJXNGFC-UHFFFAOYSA-N 0 0 443.485 -0.074 20 30 IBEDRN CCOC(=O)C=c1sc(=Cc2cccc(F)c2C#N)c(=O)n1CC(=O)N1CCOCC1 ZINC000563754558 1072334482 /nfs/dbraw/zinc/33/44/82/1072334482.db2.gz FWRCEERXCXXDIJ-UHFFFAOYSA-N 0 0 445.472 -0.048 20 30 IBEDRN CN(Cc1cc(=O)[nH]c(N)n1)[C@H]1CCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000563756174 1073358077 /nfs/dbraw/zinc/35/80/77/1073358077.db2.gz QUOAXLXIVZNWIA-HNNXBMFYSA-N 0 0 445.505 -0.353 20 30 IBEDRN CN(Cc1cc(=O)[nH]c(N)n1)[C@@H]1CCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000563756185 1072334250 /nfs/dbraw/zinc/33/42/50/1072334250.db2.gz QUOAXLXIVZNWIA-OAHLLOKOSA-N 0 0 445.505 -0.353 20 30 IBEDRN CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O ZINC000563760095 1073356812 /nfs/dbraw/zinc/35/68/12/1073356812.db2.gz FFHYYJNSYHAULZ-AWEZNQCLSA-N 0 0 427.469 -0.700 20 30 IBEDRN CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O ZINC000563760096 1073356891 /nfs/dbraw/zinc/35/68/91/1073356891.db2.gz FFHYYJNSYHAULZ-CQSZACIVSA-N 0 0 427.469 -0.700 20 30 IBEDRN N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCN(c3ncccc3C(N)=O)CC2)cc1 ZINC000563785049 1072335070 /nfs/dbraw/zinc/33/50/70/1072335070.db2.gz YLUBCWYUNWDSRV-UHFFFAOYSA-N 0 0 428.474 -0.321 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H]2C[C@@H](C)N(c3ccccc3)C2=O)CC1 ZINC000563970051 1072337191 /nfs/dbraw/zinc/33/71/91/1072337191.db2.gz BTRYDAGUMUBMGK-AEFFLSMTSA-N 0 0 427.505 -0.257 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2C[C@H](C)N(c3ccccc3)C2=O)CC1 ZINC000563970052 1072337156 /nfs/dbraw/zinc/33/71/56/1072337156.db2.gz BTRYDAGUMUBMGK-FUHWJXTLSA-N 0 0 427.505 -0.257 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2C[C@@H](C)N(c3ccccc3)C2=O)CC1 ZINC000563970053 1072337101 /nfs/dbraw/zinc/33/71/01/1072337101.db2.gz BTRYDAGUMUBMGK-SJLPKXTDSA-N 0 0 427.505 -0.257 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H]2C[C@H](C)N(c3ccccc3)C2=O)CC1 ZINC000563970054 1072337200 /nfs/dbraw/zinc/33/72/00/1072337200.db2.gz BTRYDAGUMUBMGK-WMZOPIPTSA-N 0 0 427.505 -0.257 20 30 IBEDRN C=CCN1CC[C@H](N(C)C(=O)C(=O)NC2CN(c3ccc(C(=O)OCC)cn3)C2)C1=O ZINC000564000365 1072338298 /nfs/dbraw/zinc/33/82/98/1072338298.db2.gz KFWVLDMCCXJBJR-INIZCTEOSA-N 0 0 429.477 -0.192 20 30 IBEDRN C=CCN1CC[C@@H](N(C)C(=O)C(=O)NC2CN(c3ccc(C(=O)OCC)cn3)C2)C1=O ZINC000564000373 1072338209 /nfs/dbraw/zinc/33/82/09/1072338209.db2.gz KFWVLDMCCXJBJR-MRXNPFEDSA-N 0 0 429.477 -0.192 20 30 IBEDRN N#CC(C(=O)[C@@H]1CCOC1)=c1sc(=Cc2ccc([N+](=O)[O-])s2)c(=O)n1CC(N)=O ZINC000564025627 1072339707 /nfs/dbraw/zinc/33/97/07/1072339707.db2.gz OXDOMZRVJZFDPP-SECBINFHSA-N 0 0 434.455 -0.527 20 30 IBEDRN N#CC(C(=O)[C@H]1CCOC1)=c1sc(=Cc2ccc([N+](=O)[O-])s2)c(=O)n1CC(N)=O ZINC000564025628 1072339740 /nfs/dbraw/zinc/33/97/40/1072339740.db2.gz OXDOMZRVJZFDPP-VIFPVBQESA-N 0 0 434.455 -0.527 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H]2CCCN(c3cccnc3)C2=O)CC1 ZINC000564068303 1072341164 /nfs/dbraw/zinc/34/11/64/1072341164.db2.gz XMYXWMNOZWDNPL-KRWDZBQOSA-N 0 0 428.493 -0.860 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3cccnc3)C2=O)CC1 ZINC000564068312 1072341171 /nfs/dbraw/zinc/34/11/71/1072341171.db2.gz XMYXWMNOZWDNPL-QGZVFWFLSA-N 0 0 428.493 -0.860 20 30 IBEDRN N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N3CCN(c4cccnn4)CC3)C2=O)cc1 ZINC000564070392 1072341153 /nfs/dbraw/zinc/34/11/53/1072341153.db2.gz BKVKDVNWCSPKIB-GOSISDBHSA-N 0 0 433.472 -0.086 20 30 IBEDRN N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CCN(c4cccnn4)CC3)C2=O)cc1 ZINC000564070395 1072341235 /nfs/dbraw/zinc/34/12/35/1072341235.db2.gz BKVKDVNWCSPKIB-SFHVURJKSA-N 0 0 433.472 -0.086 20 30 IBEDRN CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 ZINC000564071009 1072341139 /nfs/dbraw/zinc/34/11/39/1072341139.db2.gz KEOGWQWKULCNTJ-DLBZAZTESA-N 0 0 447.517 -0.684 20 30 IBEDRN CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 ZINC000564071010 1072341190 /nfs/dbraw/zinc/34/11/90/1072341190.db2.gz KEOGWQWKULCNTJ-IAGOWNOFSA-N 0 0 447.517 -0.684 20 30 IBEDRN CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 ZINC000564071011 1072341246 /nfs/dbraw/zinc/34/12/46/1072341246.db2.gz KEOGWQWKULCNTJ-IRXDYDNUSA-N 0 0 447.517 -0.684 20 30 IBEDRN CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 ZINC000564071012 1072341145 /nfs/dbraw/zinc/34/11/45/1072341145.db2.gz KEOGWQWKULCNTJ-SJORKVTESA-N 0 0 447.517 -0.684 20 30 IBEDRN CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 ZINC000564121502 1072342642 /nfs/dbraw/zinc/34/26/42/1072342642.db2.gz CHRCPRQAYZWUML-GOSISDBHSA-N 0 0 440.504 -0.944 20 30 IBEDRN CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 ZINC000564121503 1072342684 /nfs/dbraw/zinc/34/26/84/1072342684.db2.gz CHRCPRQAYZWUML-SFHVURJKSA-N 0 0 440.504 -0.944 20 30 IBEDRN C=CCNC(=O)NC(=O)CN1CCN(CC(=O)NC(=O)NCC=C)[C@H](c2cnn(C)c2)C1 ZINC000564157421 1072343945 /nfs/dbraw/zinc/34/39/45/1072343945.db2.gz RWQXNDCVSBJNCQ-INIZCTEOSA-N 0 0 446.512 -0.898 20 30 IBEDRN C=CCNC(=O)NC(=O)CN1CCN(CC(=O)NC(=O)NCC=C)[C@@H](c2cnn(C)c2)C1 ZINC000564157430 1072344123 /nfs/dbraw/zinc/34/41/23/1072344123.db2.gz RWQXNDCVSBJNCQ-MRXNPFEDSA-N 0 0 446.512 -0.898 20 30 IBEDRN COCCC(=O)N1CCC(NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)CC1 ZINC000564184029 1072345195 /nfs/dbraw/zinc/34/51/95/1072345195.db2.gz HJEJZOLJOCZXCD-UHFFFAOYSA-N 0 0 428.493 -0.254 20 30 IBEDRN N#Cc1ncn(CCNC(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)n1 ZINC000564357493 1072349768 /nfs/dbraw/zinc/34/97/68/1072349768.db2.gz SLSGRMNPZVBQHA-UHFFFAOYSA-N 0 0 433.494 -0.189 20 30 IBEDRN COCCOCc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C)c2=O)cc1 ZINC000564368915 1072350401 /nfs/dbraw/zinc/35/04/01/1072350401.db2.gz JJERGOKJPDNUFE-UHFFFAOYSA-N 0 0 443.525 -0.028 20 30 IBEDRN CN1CCN(C(=O)C2CCN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 ZINC000564410288 1072350924 /nfs/dbraw/zinc/35/09/24/1072350924.db2.gz LCFJNUKAERRBBS-UHFFFAOYSA-N 0 0 433.534 -0.151 20 30 IBEDRN C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)CC1 ZINC000564468036 1072351563 /nfs/dbraw/zinc/35/15/63/1072351563.db2.gz HMQYTWAWWIMPKI-AWEZNQCLSA-N 0 0 436.476 -0.111 20 30 IBEDRN C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)CC1 ZINC000564468040 1072351573 /nfs/dbraw/zinc/35/15/73/1072351573.db2.gz HMQYTWAWWIMPKI-CQSZACIVSA-N 0 0 436.476 -0.111 20 30 IBEDRN N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCN(CC(=O)Nc3nncs3)CC2)c1 ZINC000564469462 1072351595 /nfs/dbraw/zinc/35/15/95/1072351595.db2.gz UBGJOGLQKCXQFO-UHFFFAOYSA-N 0 0 449.518 -0.529 20 30 IBEDRN N#Cc1cc(Br)cn(CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)c1=O ZINC000564496466 1072352587 /nfs/dbraw/zinc/35/25/87/1072352587.db2.gz MYRJHSGBBXDZJM-AWEZNQCLSA-N 0 0 443.323 -0.186 20 30 IBEDRN N#Cc1cc(Br)cn(CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c1=O ZINC000564496471 1072352391 /nfs/dbraw/zinc/35/23/91/1072352391.db2.gz MYRJHSGBBXDZJM-CQSZACIVSA-N 0 0 443.323 -0.186 20 30 IBEDRN CNC(=O)Cn1nc(NC(=O)C(=O)N2CCN(c3snc(C)c3C#N)CC2)cc1C ZINC000564500137 1072352379 /nfs/dbraw/zinc/35/23/79/1072352379.db2.gz SKIYAZIMBMXJKL-UHFFFAOYSA-N 0 0 430.494 -0.139 20 30 IBEDRN CO[C@@H]1COC[C@H]1n1cc(CNC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)nn1 ZINC000564516449 1072352847 /nfs/dbraw/zinc/35/28/47/1072352847.db2.gz FHFCICDTLSGLLO-IAGOWNOFSA-N 0 0 434.478 -0.327 20 30 IBEDRN N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCCN(S(=O)(=O)C3CC3)CC2)c1 ZINC000564532114 1072352795 /nfs/dbraw/zinc/35/27/95/1072352795.db2.gz BDBDMBJYMTYART-UHFFFAOYSA-N 0 0 426.520 -0.137 20 30 IBEDRN N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCCN(S(=O)(=O)C3CC3)CC2)cc1 ZINC000564533642 1072353032 /nfs/dbraw/zinc/35/30/32/1072353032.db2.gz UUQVOLFMMLEIGY-UHFFFAOYSA-N 0 0 426.520 -0.137 20 30 IBEDRN CN(C)S(=O)(=O)N1CCCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000564630064 1072354485 /nfs/dbraw/zinc/35/44/85/1072354485.db2.gz MIAHIXIIRLHLCE-UHFFFAOYSA-N 0 0 429.524 -0.823 20 30 IBEDRN CNC(=O)CN1CCC(NC(=O)C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)CC1 ZINC000564743499 1072355409 /nfs/dbraw/zinc/35/54/09/1072355409.db2.gz SCKSVZHBBQPRKU-UHFFFAOYSA-N 0 0 440.548 -0.081 20 30 IBEDRN N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccc(OCC3CC3)cc2)c(=O)n1CC(N)=O ZINC000564783084 1072356263 /nfs/dbraw/zinc/35/62/63/1072356263.db2.gz CHUYSXVUOYTGIR-UHFFFAOYSA-N 0 0 438.509 -0.034 20 30 IBEDRN CN(C)C(=O)Cn1cnc(NC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)n1 ZINC000565087243 1072356748 /nfs/dbraw/zinc/35/67/48/1072356748.db2.gz BHVYUBKNHORZRL-AWEZNQCLSA-N 0 0 442.455 0.101 20 30 IBEDRN CN(C)C(=O)Cn1cnc(NC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)n1 ZINC000565087248 1072356657 /nfs/dbraw/zinc/35/66/57/1072356657.db2.gz BHVYUBKNHORZRL-CQSZACIVSA-N 0 0 442.455 0.101 20 30 IBEDRN CC(C)NS(=O)(=O)[C@@H]1CCN(CC#CCN2CC[C@H](S(=O)(=O)NC(C)C)C2)C1 ZINC000565119938 1072357897 /nfs/dbraw/zinc/35/78/97/1072357897.db2.gz FUSYOQBHOVSVRT-HDICACEKSA-N 0 0 434.628 -0.206 20 30 IBEDRN CC(C)NS(=O)(=O)[C@@H]1CCN(CC#CCN2CC[C@@H](S(=O)(=O)NC(C)C)C2)C1 ZINC000565119939 1072357743 /nfs/dbraw/zinc/35/77/43/1072357743.db2.gz FUSYOQBHOVSVRT-QZTJIDSGSA-N 0 0 434.628 -0.206 20 30 IBEDRN CC(C)NS(=O)(=O)[C@H]1CCN(CC#CCN2CC[C@H](S(=O)(=O)NC(C)C)C2)C1 ZINC000565119940 1072357840 /nfs/dbraw/zinc/35/78/40/1072357840.db2.gz FUSYOQBHOVSVRT-ROUUACIJSA-N 0 0 434.628 -0.206 20 30 IBEDRN N#Cc1ccc(S(=O)(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)o1 ZINC000565126499 1071329565 /nfs/dbraw/zinc/32/95/65/1071329565.db2.gz RGKQFIFVGWPHNL-UHFFFAOYSA-N 0 0 425.492 -0.023 20 30 IBEDRN Cc1nsc(N2CCN(C(=O)C(=O)Nc3cnn(CC(=O)N(C)C)c3)CC2)c1C#N ZINC000565126729 1072357832 /nfs/dbraw/zinc/35/78/32/1072357832.db2.gz ZOLXRZPBBRIQAK-UHFFFAOYSA-N 0 0 430.494 -0.105 20 30 IBEDRN C=CCN1CC[C@H](N(C)C(=O)C(=O)NCCCN2C(=O)NC3(CCCCC3)C2=O)C1=O ZINC000565128114 1072357983 /nfs/dbraw/zinc/35/79/83/1072357983.db2.gz UFBRSIQYJRUGQP-HNNXBMFYSA-N 0 0 433.509 -0.007 20 30 IBEDRN C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCCCN2C(=O)NC3(CCCCC3)C2=O)C1=O ZINC000565128117 1072358543 /nfs/dbraw/zinc/35/85/43/1072358543.db2.gz UFBRSIQYJRUGQP-OAHLLOKOSA-N 0 0 433.509 -0.007 20 30 IBEDRN C=CCOc1ccccc1CNC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000565133980 1072358613 /nfs/dbraw/zinc/35/86/13/1072358613.db2.gz VXGIIRDDICVGJU-UHFFFAOYSA-N 0 0 444.488 -0.603 20 30 IBEDRN N#Cc1cccc(S(=O)(=O)NCC(=O)NC[C@@H](O)CS(=O)(=O)c2cccs2)c1 ZINC000565274032 1072359471 /nfs/dbraw/zinc/35/94/71/1072359471.db2.gz AGIFCNINRQYXLO-CYBMUJFWSA-N 0 0 443.528 -0.151 20 30 IBEDRN N#Cc1cccc(S(=O)(=O)NCC(=O)NC[C@H](O)CS(=O)(=O)c2cccs2)c1 ZINC000565274035 1072359510 /nfs/dbraw/zinc/35/95/10/1072359510.db2.gz AGIFCNINRQYXLO-ZDUSSCGKSA-N 0 0 443.528 -0.151 20 30 IBEDRN C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000565336378 1072361269 /nfs/dbraw/zinc/36/12/69/1072361269.db2.gz UORUGSNLMKSQEO-INIZCTEOSA-N 0 0 449.533 -0.772 20 30 IBEDRN C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000565336380 1072361081 /nfs/dbraw/zinc/36/10/81/1072361081.db2.gz UORUGSNLMKSQEO-MRXNPFEDSA-N 0 0 449.533 -0.772 20 30 IBEDRN CS(=O)(=O)N1CCC[C@@H]1CNC(=O)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1 ZINC000565391234 1072361664 /nfs/dbraw/zinc/36/16/64/1072361664.db2.gz VGCSSORSQUCQLQ-OAHLLOKOSA-N 0 0 437.497 -0.114 20 30 IBEDRN CCOc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CC(N)=O)c2=O)cc1F ZINC000565461280 1072362575 /nfs/dbraw/zinc/36/25/75/1072362575.db2.gz RFLDZGPXEDNKEY-UHFFFAOYSA-N 0 0 430.461 -0.285 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)CNS(=O)(=O)c2ccc(OC)c(OC)c2)CC1 ZINC000565498115 1072362466 /nfs/dbraw/zinc/36/24/66/1072362466.db2.gz WLDQUCYKSMITJO-UHFFFAOYSA-N 0 0 440.522 -0.572 20 30 IBEDRN N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CCN(C[C@@H]4CCOC4)CC3)C2=O)cc1 ZINC000565503280 1072363146 /nfs/dbraw/zinc/36/31/46/1072363146.db2.gz RRQFEYXSVVPZFM-PMACEKPBSA-N 0 0 439.516 -0.044 20 30 IBEDRN N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CCN(C[C@H]4CCOC4)CC3)C2=O)cc1 ZINC000565503281 1072363057 /nfs/dbraw/zinc/36/30/57/1072363057.db2.gz RRQFEYXSVVPZFM-UXHICEINSA-N 0 0 439.516 -0.044 20 30 IBEDRN N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N3CCN(C[C@@H]4CCOC4)CC3)C2=O)cc1 ZINC000565503286 1072362984 /nfs/dbraw/zinc/36/29/84/1072362984.db2.gz RRQFEYXSVVPZFM-VQTJNVASSA-N 0 0 439.516 -0.044 20 30 IBEDRN N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N3CCN(C[C@H]4CCOC4)CC3)C2=O)cc1 ZINC000565503287 1072362871 /nfs/dbraw/zinc/36/28/71/1072362871.db2.gz RRQFEYXSVVPZFM-WOJBJXKFSA-N 0 0 439.516 -0.044 20 30 IBEDRN CCOC(=O)CNC(=O)C1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000565590633 1072364686 /nfs/dbraw/zinc/36/46/86/1072364686.db2.gz HLYLAQOJBOMNCC-UHFFFAOYSA-N 0 0 436.490 -0.246 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CCCN(CC(F)(F)F)C2=O)CC1 ZINC000565619078 1072365663 /nfs/dbraw/zinc/36/56/63/1072365663.db2.gz GEBFWGJCWZLNRY-CYBMUJFWSA-N 0 0 433.431 -0.898 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H]2CCCN(CC(F)(F)F)C2=O)CC1 ZINC000565619107 1072365694 /nfs/dbraw/zinc/36/56/94/1072365694.db2.gz GEBFWGJCWZLNRY-ZDUSSCGKSA-N 0 0 433.431 -0.898 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H]2CCN(c3ccccc3OC)C2)CC1 ZINC000565620670 1072365643 /nfs/dbraw/zinc/36/56/43/1072365643.db2.gz PXGLRXBNNUXCSS-KRWDZBQOSA-N 0 0 429.521 -0.164 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CCN(c3ccccc3OC)C2)CC1 ZINC000565620672 1072365595 /nfs/dbraw/zinc/36/55/95/1072365595.db2.gz PXGLRXBNNUXCSS-QGZVFWFLSA-N 0 0 429.521 -0.164 20 30 IBEDRN N#CCC(=O)N1CCN(C(=O)[C@@H]2CCCC[C@H]2C(=O)N2CCN(C(=O)CC#N)CC2)CC1 ZINC000565626498 1072365628 /nfs/dbraw/zinc/36/56/28/1072365628.db2.gz OXKCXGIHJQMICC-QZTJIDSGSA-N 0 0 442.520 -0.038 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2cccc(N3CCCC3=O)c2)CC1 ZINC000565670016 1072366347 /nfs/dbraw/zinc/36/63/47/1072366347.db2.gz HPMOGJUEBCISNI-UHFFFAOYSA-N 0 0 427.505 -0.124 20 30 IBEDRN CN(C(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000565670150 1072366284 /nfs/dbraw/zinc/36/62/84/1072366284.db2.gz JAEWTLRPKAFHEP-GFCCVEGCSA-N 0 0 434.453 0.314 20 30 IBEDRN CN(C(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000565670154 1072366276 /nfs/dbraw/zinc/36/62/76/1072366276.db2.gz JAEWTLRPKAFHEP-LBPRGKRZSA-N 0 0 434.453 0.314 20 30 IBEDRN N#Cc1ccc2c(c1)N(C(=O)C(=O)N1CCN(S(=O)(=O)N3CCOCC3)CC1)CC2 ZINC000565846918 1072368896 /nfs/dbraw/zinc/36/88/96/1072368896.db2.gz ANJKKQWBIHSRAN-UHFFFAOYSA-N 0 0 433.490 -0.831 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H]2CCN(c3ncccc3Cl)C2)CC1 ZINC000566348852 1072373086 /nfs/dbraw/zinc/37/30/86/1072373086.db2.gz IXDXVRJHGCNBRX-HNNXBMFYSA-N 0 0 434.928 -0.124 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CCN(c3ncccc3Cl)C2)CC1 ZINC000566348853 1072373147 /nfs/dbraw/zinc/37/31/47/1072373147.db2.gz IXDXVRJHGCNBRX-OAHLLOKOSA-N 0 0 434.928 -0.124 20 30 IBEDRN COc1cc(CNC(=O)C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)ccc1C#N ZINC000566568337 1072375794 /nfs/dbraw/zinc/37/57/94/1072375794.db2.gz LHNJKNLTMJAWMA-UHFFFAOYSA-N 0 0 426.433 -0.123 20 30 IBEDRN Cn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)cn1 ZINC000566589294 1072376453 /nfs/dbraw/zinc/37/64/53/1072376453.db2.gz SHEZBLQNCLCSBF-APWZRJJASA-N 0 0 436.476 -0.529 20 30 IBEDRN CNC(=O)C(C#N)=c1sc(=Cc2ccc(C)c(OC)c2)c(=O)n1CCN1CCOCC1 ZINC000566600426 1072376894 /nfs/dbraw/zinc/37/68/94/1072376894.db2.gz VXZCBOXTQKSWPN-UHFFFAOYSA-N 0 0 442.541 -0.192 20 30 IBEDRN COc1ccc(CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1S(N)(=O)=O ZINC000566710777 1072378620 /nfs/dbraw/zinc/37/86/20/1072378620.db2.gz KVFJYRXUPXGHBC-UHFFFAOYSA-N 0 0 438.487 -0.191 20 30 IBEDRN N#Cc1ccccc1N1CCN(c2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)CC1 ZINC000566742960 1072378533 /nfs/dbraw/zinc/37/85/33/1072378533.db2.gz DRAXALDWLZYDPI-QTQZEZTPSA-N 0 0 437.460 -0.364 20 30 IBEDRN C=CCn1c(=O)c(=Cc2ccnn2CCCOC)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000566809348 1072379474 /nfs/dbraw/zinc/37/94/74/1072379474.db2.gz DRYHVOYNRUFPMN-UHFFFAOYSA-N 0 0 443.529 -0.309 20 30 IBEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccsc2Cl)c(=O)n1CC(N)=O ZINC000566831443 1072380846 /nfs/dbraw/zinc/38/08/46/1072380846.db2.gz ZEQKDSJDBJIZLM-UHFFFAOYSA-N 0 0 440.934 -0.234 20 30 IBEDRN CCOc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CC(N)=O)c2=O)cc1F ZINC000566836025 1072380783 /nfs/dbraw/zinc/38/07/83/1072380783.db2.gz DEUUFAGBZGYCJW-UHFFFAOYSA-N 0 0 432.477 -0.039 20 30 IBEDRN CC(C)(C(N)=O)N1CCN(C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 ZINC000566877501 1072381709 /nfs/dbraw/zinc/38/17/09/1072381709.db2.gz OINGFODJTVKEMR-KRWDZBQOSA-N 0 0 440.504 -0.817 20 30 IBEDRN CC(C)(C(N)=O)N1CCN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 ZINC000566877502 1072381866 /nfs/dbraw/zinc/38/18/66/1072381866.db2.gz OINGFODJTVKEMR-QGZVFWFLSA-N 0 0 440.504 -0.817 20 30 IBEDRN Cn1cc(I)c(=O)n(CCS(=O)(=O)c2ccc(C#N)cn2)c1=O ZINC000566935811 1072383147 /nfs/dbraw/zinc/38/31/47/1072383147.db2.gz ITTDFCCTSIPJBU-UHFFFAOYSA-N 0 0 446.226 -0.108 20 30 IBEDRN CCS(=O)(=O)N1CCN(C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 ZINC000566995710 1072383527 /nfs/dbraw/zinc/38/35/27/1072383527.db2.gz TYZJOPHRUNQPNG-KRWDZBQOSA-N 0 0 447.517 -0.731 20 30 IBEDRN CCS(=O)(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 ZINC000566995711 1072383590 /nfs/dbraw/zinc/38/35/90/1072383590.db2.gz TYZJOPHRUNQPNG-QGZVFWFLSA-N 0 0 447.517 -0.731 20 30 IBEDRN N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H](N3CCCS3(=O)=O)C2)cc1 ZINC000567004957 1072384032 /nfs/dbraw/zinc/38/40/32/1072384032.db2.gz IILRXXOCRCPZCA-HNNXBMFYSA-N 0 0 426.520 -0.137 20 30 IBEDRN N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@@H](N3CCCS3(=O)=O)C2)cc1 ZINC000567004958 1072384079 /nfs/dbraw/zinc/38/40/79/1072384079.db2.gz IILRXXOCRCPZCA-OAHLLOKOSA-N 0 0 426.520 -0.137 20 30 IBEDRN CNC(=O)C(C#N)=c1sc(=Cc2cc(F)ccc2OC)c(=O)n1CCN1CCOCC1 ZINC000567006528 1072384084 /nfs/dbraw/zinc/38/40/84/1072384084.db2.gz UCNAVXSRPWKFPN-UHFFFAOYSA-N 0 0 446.504 -0.361 20 30 IBEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)cs2)c(=O)n1CC(N)=O ZINC000567013558 1072384141 /nfs/dbraw/zinc/38/41/41/1072384141.db2.gz RCKNBRZYMNZNSD-UHFFFAOYSA-N 0 0 440.934 -0.234 20 30 IBEDRN COCCCS(=O)(=O)N1CCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000567036180 1072384554 /nfs/dbraw/zinc/38/45/54/1072384554.db2.gz AGPMIQSNMVNVNR-UHFFFAOYSA-N 0 0 444.535 -0.653 20 30 IBEDRN CC(=O)NC[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCO1 ZINC000567077876 1072384963 /nfs/dbraw/zinc/38/49/63/1072384963.db2.gz MGVQSNVZBFQJED-MSOLQXFVSA-N 0 0 427.461 -0.861 20 30 IBEDRN CC(=O)NC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCO1 ZINC000567077877 1072385044 /nfs/dbraw/zinc/38/50/44/1072385044.db2.gz MGVQSNVZBFQJED-QZTJIDSGSA-N 0 0 427.461 -0.861 20 30 IBEDRN CC(=O)NC[C@H]1CN(C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCO1 ZINC000567077878 1072385091 /nfs/dbraw/zinc/38/50/91/1072385091.db2.gz MGVQSNVZBFQJED-ROUUACIJSA-N 0 0 427.461 -0.861 20 30 IBEDRN CC(=O)NC[C@H]1CN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCO1 ZINC000567077879 1072385111 /nfs/dbraw/zinc/38/51/11/1072385111.db2.gz MGVQSNVZBFQJED-ZWKOTPCHSA-N 0 0 427.461 -0.861 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)NC2CCN(c3cc(C)nc(C)n3)CC2)CC1 ZINC000567195900 1072387694 /nfs/dbraw/zinc/38/76/94/1072387694.db2.gz WRBGWNYVZCKCRC-UHFFFAOYSA-N 0 0 443.552 -0.375 20 30 IBEDRN CC(C)n1cc(C#N)c(NC(=O)C(=O)NC[C@@H]2CCCCN2S(=O)(=O)N(C)C)n1 ZINC000567197981 1072388239 /nfs/dbraw/zinc/38/82/39/1072388239.db2.gz RKXOCEHUOXNMGT-AWEZNQCLSA-N 0 0 425.515 0.051 20 30 IBEDRN CC(C)n1cc(C#N)c(NC(=O)C(=O)NC[C@H]2CCCCN2S(=O)(=O)N(C)C)n1 ZINC000567197982 1073323693 /nfs/dbraw/zinc/32/36/93/1073323693.db2.gz RKXOCEHUOXNMGT-CQSZACIVSA-N 0 0 425.515 0.051 20 30 IBEDRN CN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)C1 ZINC000567203778 1072388300 /nfs/dbraw/zinc/38/83/00/1072388300.db2.gz FZFFJJKTOTXRHS-CYBMUJFWSA-N 0 0 431.478 -0.040 20 30 IBEDRN CN(C)S(=O)(=O)[C@H]1CCCN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)C1 ZINC000567203779 1072388425 /nfs/dbraw/zinc/38/84/25/1072388425.db2.gz FZFFJJKTOTXRHS-ZDUSSCGKSA-N 0 0 431.478 -0.040 20 30 IBEDRN C=CCSCCNC(=O)C(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000567252320 1072388978 /nfs/dbraw/zinc/38/89/78/1072388978.db2.gz NRJLSAHMOOIPPM-GASCZTMLSA-N 0 0 434.584 -0.480 20 30 IBEDRN C=CCSCCNC(=O)C(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000567252321 1072388788 /nfs/dbraw/zinc/38/87/88/1072388788.db2.gz NRJLSAHMOOIPPM-GJZGRUSLSA-N 0 0 434.584 -0.480 20 30 IBEDRN C=CCSCCNC(=O)C(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000567252322 1072389016 /nfs/dbraw/zinc/38/90/16/1072389016.db2.gz NRJLSAHMOOIPPM-HUUCEWRRSA-N 0 0 434.584 -0.480 20 30 IBEDRN COC(=O)c1ccc(N2CCN(C(=O)CNS(=O)(=O)c3cccc(C#N)c3)CC2)nn1 ZINC000567287186 1072389316 /nfs/dbraw/zinc/38/93/16/1072389316.db2.gz ODQAPOIGTXZETE-UHFFFAOYSA-N 0 0 444.473 -0.238 20 30 IBEDRN CCOCCn1c(=O)c(=Cc2c(C)cnn2C)sc1=C(C#N)C(=O)NCCCOC ZINC000567338851 1072390256 /nfs/dbraw/zinc/39/02/56/1072390256.db2.gz NPDLYWLHNNZYDT-UHFFFAOYSA-N 0 0 433.534 -0.356 20 30 IBEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(C#N)c2Cl)c(=O)n1CC(N)=O ZINC000567446004 1072392545 /nfs/dbraw/zinc/39/25/45/1072392545.db2.gz MWEZTDJOOQMHDD-UHFFFAOYSA-N 0 0 445.863 -0.135 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2ccc(N3CCO[C@@H](C)C3)nc2)CC1 ZINC000567527897 1072394257 /nfs/dbraw/zinc/39/42/57/1072394257.db2.gz ATBYTRVBSJIESL-KRWDZBQOSA-N 0 0 444.536 -0.631 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2ccc(N3CCO[C@H](C)C3)nc2)CC1 ZINC000567527898 1072394192 /nfs/dbraw/zinc/39/41/92/1072394192.db2.gz ATBYTRVBSJIESL-QGZVFWFLSA-N 0 0 444.536 -0.631 20 30 IBEDRN Cn1ccc(N2CCC[C@H](NC(=O)C(=O)N3CCN(c4cc(C#N)ccn4)CC3)C2=O)n1 ZINC000567537583 1072394303 /nfs/dbraw/zinc/39/43/03/1072394303.db2.gz PGXVAKJGRLHELF-INIZCTEOSA-N 0 0 436.476 -0.353 20 30 IBEDRN Cn1ccc(N2CCC[C@@H](NC(=O)C(=O)N3CCN(c4cc(C#N)ccn4)CC3)C2=O)n1 ZINC000567537584 1072394203 /nfs/dbraw/zinc/39/42/03/1072394203.db2.gz PGXVAKJGRLHELF-MRXNPFEDSA-N 0 0 436.476 -0.353 20 30 IBEDRN CCOCCN1CCN(C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 ZINC000567540261 1072394239 /nfs/dbraw/zinc/39/42/39/1072394239.db2.gz IUNHPPQAJDXKHY-IBGZPJMESA-N 0 0 427.505 -0.044 20 30 IBEDRN CCOCCN1CCN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 ZINC000567540262 1072394093 /nfs/dbraw/zinc/39/40/93/1072394093.db2.gz IUNHPPQAJDXKHY-LJQANCHMSA-N 0 0 427.505 -0.044 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2CCc3c(cccc3S(=O)(=O)N(C)C)C2)C1=O ZINC000567574302 1072394802 /nfs/dbraw/zinc/39/48/02/1072394802.db2.gz PYSWNYIMFSFPMZ-UHFFFAOYSA-N 0 0 434.474 -0.202 20 30 IBEDRN N#Cc1ccc(S(=O)(=O)NCC(=O)N2CC(S(=O)(=O)NC3CCCC3)C2)cc1 ZINC000567656062 1072395739 /nfs/dbraw/zinc/39/57/39/1072395739.db2.gz MUGHCYBREQNBRZ-UHFFFAOYSA-N 0 0 426.520 -0.091 20 30 IBEDRN CN(CCOCc1ccc(C#N)cc1)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O ZINC000567720799 1072396358 /nfs/dbraw/zinc/39/63/58/1072396358.db2.gz ZITJNXJMSHOCML-QTQZEZTPSA-N 0 0 440.460 -0.038 20 30 IBEDRN Cc1nn(C)c(N2CCN(C(=O)C(=O)NCCc3nnc4n3CCCCC4)CC2)c1C#N ZINC000567762699 1072396182 /nfs/dbraw/zinc/39/61/82/1072396182.db2.gz XGPREUMNCXGAJM-UHFFFAOYSA-N 0 0 439.524 -0.074 20 30 IBEDRN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 ZINC000567800803 1072397328 /nfs/dbraw/zinc/39/73/28/1072397328.db2.gz HXMVPLRPPSYOEX-NEPJUHHUSA-N 0 0 427.421 -0.350 20 30 IBEDRN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 ZINC000567800804 1072397576 /nfs/dbraw/zinc/39/75/76/1072397576.db2.gz HXMVPLRPPSYOEX-NWDGAFQWSA-N 0 0 427.421 -0.350 20 30 IBEDRN CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 ZINC000567800805 1072397583 /nfs/dbraw/zinc/39/75/83/1072397583.db2.gz HXMVPLRPPSYOEX-RYUDHWBXSA-N 0 0 427.421 -0.350 20 30 IBEDRN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 ZINC000567800806 1072397446 /nfs/dbraw/zinc/39/74/46/1072397446.db2.gz HXMVPLRPPSYOEX-VXGBXAGGSA-N 0 0 427.421 -0.350 20 30 IBEDRN N#Cc1ncn(CCNC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)n1 ZINC000568100297 1072400166 /nfs/dbraw/zinc/40/01/66/1072400166.db2.gz DGOQERIEEYZJSJ-UHFFFAOYSA-N 0 0 445.505 -0.421 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)NCCNC(=O)Cc2cccc(F)c2)CC1 ZINC000568102784 1072400155 /nfs/dbraw/zinc/40/01/55/1072400155.db2.gz PLVNFCBYVLOEQR-UHFFFAOYSA-N 0 0 433.484 -0.953 20 30 IBEDRN C=CCSCCNC(=O)C(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000568131535 1072400756 /nfs/dbraw/zinc/40/07/56/1072400756.db2.gz GIYUBOSEBXKLBV-UHFFFAOYSA-N 0 0 441.579 -0.315 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(F)cc3)C2=O)CC1 ZINC000568133399 1072400751 /nfs/dbraw/zinc/40/07/51/1072400751.db2.gz WTROVKRQLVENFP-GOSISDBHSA-N 0 0 445.495 -0.511 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H]2CCN(Cc3ccc(F)cc3)C2=O)CC1 ZINC000568133400 1072400885 /nfs/dbraw/zinc/40/08/85/1072400885.db2.gz WTROVKRQLVENFP-SFHVURJKSA-N 0 0 445.495 -0.511 20 30 IBEDRN N#Cc1ccc(S(=O)(=O)NCC(=O)NCCN2CCN(C(=O)C3CCC3)CC2)cc1 ZINC000568145918 1072401387 /nfs/dbraw/zinc/40/13/87/1072401387.db2.gz SUJIDOXRBVHKCQ-UHFFFAOYSA-N 0 0 433.534 -0.103 20 30 IBEDRN COc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)nn1 ZINC000568304134 1073346360 /nfs/dbraw/zinc/34/63/60/1073346360.db2.gz ZWSCDPOVMWHGBX-UHFFFAOYSA-N 0 0 430.446 -0.172 20 30 IBEDRN CN(C)S(=O)(=O)N1CCCC[C@@H]1CNC(=O)N(C)CCCc1[nH]nc(N)c1C#N ZINC000568459535 1073355344 /nfs/dbraw/zinc/35/53/44/1073355344.db2.gz MEAXOCJACNLQJS-CYBMUJFWSA-N 0 0 426.547 0.098 20 30 IBEDRN CN(C)S(=O)(=O)N1CCCC[C@H]1CNC(=O)N(C)CCCc1[nH]nc(N)c1C#N ZINC000568459537 1073355201 /nfs/dbraw/zinc/35/52/01/1073355201.db2.gz MEAXOCJACNLQJS-ZDUSSCGKSA-N 0 0 426.547 0.098 20 30 IBEDRN Cn1ccc(N2CCC[C@H](NC(=O)C(=O)N3CCN(c4ncccc4C#N)CC3)C2=O)n1 ZINC000568549793 1072408953 /nfs/dbraw/zinc/40/89/53/1072408953.db2.gz ONNBMAGQLVHCFN-INIZCTEOSA-N 0 0 436.476 -0.353 20 30 IBEDRN Cn1ccc(N2CCC[C@@H](NC(=O)C(=O)N3CCN(c4ncccc4C#N)CC3)C2=O)n1 ZINC000568549794 1072409110 /nfs/dbraw/zinc/40/91/10/1072409110.db2.gz ONNBMAGQLVHCFN-MRXNPFEDSA-N 0 0 436.476 -0.353 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)NCC2(N3CCOCC3)CCCCC2)CC1 ZINC000568655890 1072410878 /nfs/dbraw/zinc/41/08/78/1072410878.db2.gz UVMOCMKGWPCAHZ-UHFFFAOYSA-N 0 0 435.569 -0.416 20 30 IBEDRN Cn1cc(CN2CCN(C(=O)C(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)CC2)cn1 ZINC000568672697 1072411370 /nfs/dbraw/zinc/41/13/70/1072411370.db2.gz HUIMFZWWLUPUGG-FQEVSTJZSA-N 0 0 449.515 -0.147 20 30 IBEDRN Cn1cc(CN2CCN(C(=O)C(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)CC2)cn1 ZINC000568672700 1072411461 /nfs/dbraw/zinc/41/14/61/1072411461.db2.gz HUIMFZWWLUPUGG-HXUWFJFHSA-N 0 0 449.515 -0.147 20 30 IBEDRN N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCCN(CC(=O)N3CCCC3)CC2)cc1 ZINC000568698161 1072412110 /nfs/dbraw/zinc/41/21/10/1072412110.db2.gz HSFXKJNZUOCPDJ-UHFFFAOYSA-N 0 0 433.534 -0.007 20 30 IBEDRN C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000568734731 1072412746 /nfs/dbraw/zinc/41/27/46/1072412746.db2.gz VIHBYNMXDXUOGR-CYBMUJFWSA-N 0 0 429.506 -0.007 20 30 IBEDRN C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000568734732 1072412560 /nfs/dbraw/zinc/41/25/60/1072412560.db2.gz VIHBYNMXDXUOGR-ZDUSSCGKSA-N 0 0 429.506 -0.007 20 30 IBEDRN COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(CC(=O)NC2CC2)CC1 ZINC000568796147 1072413540 /nfs/dbraw/zinc/41/35/40/1072413540.db2.gz OJKBTGSZQAUQBC-UHFFFAOYSA-N 0 0 429.477 -0.055 20 30 IBEDRN Cn1cc(N2CCN(C(=O)C(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)CC2)cn1 ZINC000568807177 1072413882 /nfs/dbraw/zinc/41/38/82/1072413882.db2.gz NDMLGQROLRWCTH-IBGZPJMESA-N 0 0 435.488 -0.142 20 30 IBEDRN Cn1cc(N2CCN(C(=O)C(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)CC2)cn1 ZINC000568807182 1072413968 /nfs/dbraw/zinc/41/39/68/1072413968.db2.gz NDMLGQROLRWCTH-LJQANCHMSA-N 0 0 435.488 -0.142 20 30 IBEDRN N#Cc1ncn(CCNC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000568915615 1072415856 /nfs/dbraw/zinc/41/58/56/1072415856.db2.gz KKBMNDUSRIHNGG-UHFFFAOYSA-N 0 0 434.438 -0.226 20 30 IBEDRN CNC(=O)CN1CCC(NC(=O)C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)CC1 ZINC000568968885 1072417093 /nfs/dbraw/zinc/41/70/93/1072417093.db2.gz UUOMGANMRNYSHJ-UHFFFAOYSA-N 0 0 430.484 -0.327 20 30 IBEDRN N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)n1 ZINC000568983178 1072417677 /nfs/dbraw/zinc/41/76/77/1072417677.db2.gz XFQBAGKHZSFXMF-UHFFFAOYSA-N 0 0 436.432 -0.973 20 30 IBEDRN C[C@H]1CN(S(=O)(=O)N2CCN(S(=O)(=O)c3cncc(C#N)c3)CC2)C[C@H](C)O1 ZINC000569276826 1072423973 /nfs/dbraw/zinc/42/39/73/1072423973.db2.gz HNFYZGBBFJIIBB-KBPBESRZSA-N 0 0 429.524 -0.386 20 30 IBEDRN C[C@@H]1CN(S(=O)(=O)N2CCN(S(=O)(=O)c3cncc(C#N)c3)CC2)C[C@H](C)O1 ZINC000569276828 1071453758 /nfs/dbraw/zinc/45/37/58/1071453758.db2.gz HNFYZGBBFJIIBB-OKILXGFUSA-N 0 0 429.524 -0.386 20 30 IBEDRN C[C@@H]1CN(S(=O)(=O)N2CCN(S(=O)(=O)c3cncc(C#N)c3)CC2)C[C@@H](C)O1 ZINC000569276830 1071453828 /nfs/dbraw/zinc/45/38/28/1071453828.db2.gz HNFYZGBBFJIIBB-ZIAGYGMSSA-N 0 0 429.524 -0.386 20 30 IBEDRN CCOC(=O)c1cn(C)nc1NC(=O)C(=O)N1CCN(c2snc(C)c2C#N)CC1 ZINC000569280478 1072424690 /nfs/dbraw/zinc/42/46/90/1072424690.db2.gz OJQODIXERMRELQ-UHFFFAOYSA-N 0 0 431.478 0.521 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2ccncc2OCC(F)F)CC1 ZINC000569392583 1072425972 /nfs/dbraw/zinc/42/59/72/1072425972.db2.gz QMVDDMAPJCWPRM-UHFFFAOYSA-N 0 0 425.436 -0.212 20 30 IBEDRN N#CC(C(=O)[C@@H]1CCCOC1)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1CC(N)=O ZINC000569408746 1072426471 /nfs/dbraw/zinc/42/64/71/1072426471.db2.gz GEBJTBBOPSYLEQ-CYBMUJFWSA-N 0 0 442.453 -0.198 20 30 IBEDRN N#CC(C(=O)[C@H]1CCCOC1)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1CC(N)=O ZINC000569408747 1072426550 /nfs/dbraw/zinc/42/65/50/1072426550.db2.gz GEBJTBBOPSYLEQ-ZDUSSCGKSA-N 0 0 442.453 -0.198 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2nc(-c3cccc(F)c3)no2)CC1 ZINC000569499270 1072427960 /nfs/dbraw/zinc/42/79/60/1072427960.db2.gz FMDQEFPGGGMQHW-UHFFFAOYSA-N 0 0 430.440 -0.062 20 30 IBEDRN CS(=O)(=O)NC[C@H]1CCC[C@H]1NC(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 ZINC000569535494 1072429510 /nfs/dbraw/zinc/42/95/10/1072429510.db2.gz YEVBDWZHTRKVCT-CHWSQXEVSA-N 0 0 431.478 -0.088 20 30 IBEDRN CS(=O)(=O)NC[C@H]1CCC[C@@H]1NC(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 ZINC000569535496 1072429387 /nfs/dbraw/zinc/42/93/87/1072429387.db2.gz YEVBDWZHTRKVCT-OLZOCXBDSA-N 0 0 431.478 -0.088 20 30 IBEDRN CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 ZINC000569535497 1072429410 /nfs/dbraw/zinc/42/94/10/1072429410.db2.gz YEVBDWZHTRKVCT-QWHCGFSZSA-N 0 0 431.478 -0.088 20 30 IBEDRN CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 ZINC000569535499 1072429591 /nfs/dbraw/zinc/42/95/91/1072429591.db2.gz YEVBDWZHTRKVCT-STQMWFEESA-N 0 0 431.478 -0.088 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)Nc2c(N(C)C)cccc2S(=O)(=O)N(C)C)C1=O ZINC000569541070 1072429605 /nfs/dbraw/zinc/42/96/05/1072429605.db2.gz YVXJKSZFPBOGKM-UHFFFAOYSA-N 0 0 437.478 -0.082 20 30 IBEDRN CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000569613504 1072430698 /nfs/dbraw/zinc/43/06/98/1072430698.db2.gz AVHVUMGGMCYJPO-DLBZAZTESA-N 0 0 447.517 -0.290 20 30 IBEDRN CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000569613507 1072430751 /nfs/dbraw/zinc/43/07/51/1072430751.db2.gz AVHVUMGGMCYJPO-IAGOWNOFSA-N 0 0 447.517 -0.290 20 30 IBEDRN CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000569613511 1072430595 /nfs/dbraw/zinc/43/05/95/1072430595.db2.gz AVHVUMGGMCYJPO-IRXDYDNUSA-N 0 0 447.517 -0.290 20 30 IBEDRN CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000569613514 1072430624 /nfs/dbraw/zinc/43/06/24/1072430624.db2.gz AVHVUMGGMCYJPO-SJORKVTESA-N 0 0 447.517 -0.290 20 30 IBEDRN Cc1nsc(N2CCN(C(=O)C(=O)Nc3ccn(CC(=O)N(C)C)n3)CC2)c1C#N ZINC000569654020 1073352862 /nfs/dbraw/zinc/35/28/62/1073352862.db2.gz YBMPBGDHFHXLOX-UHFFFAOYSA-N 0 0 430.494 -0.105 20 30 IBEDRN Cc1nsc(N2CCN(C(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)CC2)c1C#N ZINC000569654363 1072431222 /nfs/dbraw/zinc/43/12/22/1072431222.db2.gz DVSLSLZKQHEDHM-UHFFFAOYSA-N 0 0 428.478 -0.581 20 30 IBEDRN CNC(=O)CNC(=O)c1cccc(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000569655692 1072431204 /nfs/dbraw/zinc/43/12/04/1072431204.db2.gz YNTYPYLFHYRCFQ-UHFFFAOYSA-N 0 0 429.458 -0.049 20 30 IBEDRN CNC(=O)CNC(=O)c1cccc(NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)c1 ZINC000569774592 1073569726 /nfs/dbraw/zinc/56/97/26/1073569726.db2.gz PZGWMJJUSQHDNC-UHFFFAOYSA-N 0 0 429.458 -0.049 20 30 IBEDRN N#CC(C(=O)[C@@H]1CCCOC1)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1CC(N)=O ZINC000569779170 1072433479 /nfs/dbraw/zinc/43/34/79/1072433479.db2.gz NXLUHGAXBMCOLM-CYBMUJFWSA-N 0 0 442.453 -0.198 20 30 IBEDRN N#CC(C(=O)[C@H]1CCCOC1)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1CC(N)=O ZINC000569779173 1072433655 /nfs/dbraw/zinc/43/36/55/1072433655.db2.gz NXLUHGAXBMCOLM-ZDUSSCGKSA-N 0 0 442.453 -0.198 20 30 IBEDRN CN(C)S(=O)(=O)C[C@@H](NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C(F)(F)F ZINC000569798736 1072433539 /nfs/dbraw/zinc/43/35/39/1072433539.db2.gz RKCPUUJWTMSVKC-GFCCVEGCSA-N 0 0 442.441 -0.225 20 30 IBEDRN CN(C)S(=O)(=O)C[C@H](NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C(F)(F)F ZINC000569798737 1072433932 /nfs/dbraw/zinc/43/39/32/1072433932.db2.gz RKCPUUJWTMSVKC-LBPRGKRZSA-N 0 0 442.441 -0.225 20 30 IBEDRN CCS(=O)(=O)N1CCN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000569846971 1071459024 /nfs/dbraw/zinc/45/90/24/1071459024.db2.gz ZWLKXMMNZUSEKH-KRWDZBQOSA-N 0 0 447.517 -0.336 20 30 IBEDRN CCS(=O)(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000569846973 1071459150 /nfs/dbraw/zinc/45/91/50/1071459150.db2.gz ZWLKXMMNZUSEKH-QGZVFWFLSA-N 0 0 447.517 -0.336 20 30 IBEDRN COCC(=O)N1CCC(NC(=O)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)CC1 ZINC000569913305 1072435945 /nfs/dbraw/zinc/43/59/45/1072435945.db2.gz CZPNGTOZSRLMDM-UHFFFAOYSA-N 0 0 427.505 -0.044 20 30 IBEDRN CN(C)S(=O)(=O)N(CC#N)CC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000569950809 1072436395 /nfs/dbraw/zinc/43/63/95/1072436395.db2.gz YDOCMHDMDWJBIP-UHFFFAOYSA-N 0 0 445.523 -0.722 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2ccc(C)cc2N2CCOCC2)CC1 ZINC000570001032 1072437145 /nfs/dbraw/zinc/43/71/45/1072437145.db2.gz LONZRBSFZAOUSR-UHFFFAOYSA-N 0 0 443.548 -0.106 20 30 IBEDRN N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CC(=O)N(CC(F)(F)F)C3)C2=O)cc1 ZINC000570121927 1072439321 /nfs/dbraw/zinc/43/93/21/1072439321.db2.gz QCNZVTDSPFWXNA-AWEZNQCLSA-N 0 0 437.378 -0.034 20 30 IBEDRN N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N3CC(=O)N(CC(F)(F)F)C3)C2=O)cc1 ZINC000570121928 1072439481 /nfs/dbraw/zinc/43/94/81/1072439481.db2.gz QCNZVTDSPFWXNA-CQSZACIVSA-N 0 0 437.378 -0.034 20 30 IBEDRN CC(C)C(=O)C(C#N)=c1sc(=Cc2c(Br)cnn2C)c(=O)n1CC(N)=O ZINC000570125859 1072439391 /nfs/dbraw/zinc/43/93/91/1072439391.db2.gz FWLWSTMFYDUFGB-UHFFFAOYSA-N 0 0 438.307 -0.381 20 30 IBEDRN N#Cc1cccc(S(=O)(=O)NCC(=O)NC2CCN(S(=O)(=O)C3CC3)CC2)c1 ZINC000570133808 1072439477 /nfs/dbraw/zinc/43/94/77/1072439477.db2.gz PJGKZDLPKMOLGQ-UHFFFAOYSA-N 0 0 426.520 -0.091 20 30 IBEDRN C=CCOc1ccccc1CNC(=O)C(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 ZINC000570187271 1072440663 /nfs/dbraw/zinc/44/06/63/1072440663.db2.gz GDRNTLZFWRHHTO-UHFFFAOYSA-N 0 0 442.476 -0.644 20 30 IBEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccsc2Cl)c(=O)n1CC(N)=O ZINC000570221333 1072441311 /nfs/dbraw/zinc/44/13/11/1072441311.db2.gz IPLDLOUYXLDFCP-UHFFFAOYSA-N 0 0 438.918 -0.528 20 30 IBEDRN N#Cc1ccc(S(=O)(=O)NCC(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)cc1 ZINC000570251119 1072441852 /nfs/dbraw/zinc/44/18/52/1072441852.db2.gz MRWNPGFIDUJFKP-HNNXBMFYSA-N 0 0 444.535 -0.559 20 30 IBEDRN N#Cc1ccc(S(=O)(=O)NCC(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)cc1 ZINC000570251120 1072441909 /nfs/dbraw/zinc/44/19/09/1072441909.db2.gz MRWNPGFIDUJFKP-OAHLLOKOSA-N 0 0 444.535 -0.559 20 30 IBEDRN CN(C)C(=O)Cn1cnc(NC(=O)C(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)n1 ZINC000570272317 1072442493 /nfs/dbraw/zinc/44/24/93/1072442493.db2.gz FEBXJNUQBIHUBP-UHFFFAOYSA-N 0 0 444.883 0.179 20 30 IBEDRN CN(C)S(=O)(=O)N1CCCC[C@H]1CNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 ZINC000570325983 1072442540 /nfs/dbraw/zinc/44/25/40/1072442540.db2.gz DCAGTUFEEVAXTH-HNNXBMFYSA-N 0 0 443.551 -0.386 20 30 IBEDRN CN(C)S(=O)(=O)N1CCCC[C@@H]1CNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 ZINC000570325984 1072443055 /nfs/dbraw/zinc/44/30/55/1072443055.db2.gz DCAGTUFEEVAXTH-OAHLLOKOSA-N 0 0 443.551 -0.386 20 30 IBEDRN Cc1ccc(C(=O)Nc2ccn(CCN3CCOCC3)n2)cc1S(=O)(=O)NCC#N ZINC000570420372 1072444218 /nfs/dbraw/zinc/44/42/18/1072444218.db2.gz ZJOVUBJLCFMEEI-UHFFFAOYSA-N 0 0 432.506 0.578 20 30 IBEDRN Cc1cc(NC(=O)C(=O)N2CC(NS(=O)(=O)c3ccc(C)cc3)C2)nn1CCC#N ZINC000570440910 1073322678 /nfs/dbraw/zinc/32/26/78/1073322678.db2.gz QFBONXRNJSEHNL-UHFFFAOYSA-N 0 0 430.490 0.541 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H]2CCCc3cn(CCOC)nc32)CC1 ZINC000570551744 1072446395 /nfs/dbraw/zinc/44/63/95/1072446395.db2.gz OTLSAQDEUXAQLQ-KRWDZBQOSA-N 0 0 432.525 -0.531 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CCCc3cn(CCOC)nc32)CC1 ZINC000570551745 1072446440 /nfs/dbraw/zinc/44/64/40/1072446440.db2.gz OTLSAQDEUXAQLQ-QGZVFWFLSA-N 0 0 432.525 -0.531 20 30 IBEDRN N#CCCN(CCN1CCOCC1)CC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000570589614 1072446899 /nfs/dbraw/zinc/44/68/99/1072446899.db2.gz PBBVCZOELVTYCQ-MOPGFXCFSA-N 0 0 442.582 -0.271 20 30 IBEDRN N#CCCN(CCN1CCOCC1)CC(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000570589615 1072446985 /nfs/dbraw/zinc/44/69/85/1072446985.db2.gz PBBVCZOELVTYCQ-OALUTQOASA-N 0 0 442.582 -0.271 20 30 IBEDRN N#CCCN(CCN1CCOCC1)CC(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000570589616 1072446924 /nfs/dbraw/zinc/44/69/24/1072446924.db2.gz PBBVCZOELVTYCQ-RBUKOAKNSA-N 0 0 442.582 -0.271 20 30 IBEDRN N#CCCN(CCN1CCOCC1)CC(=O)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000570589617 1072446949 /nfs/dbraw/zinc/44/69/49/1072446949.db2.gz PBBVCZOELVTYCQ-RTBURBONSA-N 0 0 442.582 -0.271 20 30 IBEDRN N#Cc1cccc(S(=O)(=O)NCC(=O)N2CC(S(=O)(=O)NC3CCCC3)C2)c1 ZINC000570611098 1072447728 /nfs/dbraw/zinc/44/77/28/1072447728.db2.gz SOXJDKWHURLLEG-UHFFFAOYSA-N 0 0 426.520 -0.091 20 30 IBEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc3occc3c2)c(=O)n1CC(N)=O ZINC000570669537 1072449023 /nfs/dbraw/zinc/44/90/23/1072449023.db2.gz OKSZUJDQNHXJFN-UHFFFAOYSA-N 0 0 440.481 -0.203 20 30 IBEDRN N#Cc1cccc(S(=O)(=O)NCC(=O)N[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)c1 ZINC000570789766 1072451761 /nfs/dbraw/zinc/45/17/61/1072451761.db2.gz QOWMSBPBLDSCLS-CQSZACIVSA-N 0 0 426.520 -0.091 20 30 IBEDRN N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N2CCN(CC(=O)N3CCCC3)CC2)n1 ZINC000570825131 1072452242 /nfs/dbraw/zinc/45/22/42/1072452242.db2.gz HIHNDFIIWRYOKL-UHFFFAOYSA-N 0 0 436.476 -0.156 20 30 IBEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2-c2ccccc2)c(=O)n1CC(N)=O ZINC000570896519 1072453822 /nfs/dbraw/zinc/45/38/22/1072453822.db2.gz SYSHTUFILOVFHZ-UHFFFAOYSA-N 0 0 436.497 -0.390 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)NC2CCN(c3cc(CC)ncn3)CC2)CC1 ZINC000570963196 1073678283 /nfs/dbraw/zinc/67/82/83/1073678283.db2.gz GLBKTHKTIKVUJG-UHFFFAOYSA-N 0 0 443.552 -0.430 20 30 IBEDRN N#Cc1cc([N+](=O)[O-])c(N2CCN3C(=O)NC[C@H]3C2)cc1N1CCN2C(=O)NC[C@H]2C1 ZINC000570973537 1072454272 /nfs/dbraw/zinc/45/42/72/1072454272.db2.gz PIIADPAZCWIXFC-KBPBESRZSA-N 0 0 426.437 -0.106 20 30 IBEDRN N#Cc1cc([N+](=O)[O-])c(N2CCN3C(=O)NC[C@H]3C2)cc1N1CCN2C(=O)NC[C@@H]2C1 ZINC000570973541 1072454317 /nfs/dbraw/zinc/45/43/17/1072454317.db2.gz PIIADPAZCWIXFC-KGLIPLIRSA-N 0 0 426.437 -0.106 20 30 IBEDRN N#Cc1cc([N+](=O)[O-])c(N2CCN3C(=O)NC[C@@H]3C2)cc1N1CCN2C(=O)NC[C@H]2C1 ZINC000570973543 1072454526 /nfs/dbraw/zinc/45/45/26/1072454526.db2.gz PIIADPAZCWIXFC-UONOGXRCSA-N 0 0 426.437 -0.106 20 30 IBEDRN N#Cc1cc([N+](=O)[O-])c(N2CCN3C(=O)NC[C@@H]3C2)cc1N1CCN2C(=O)NC[C@@H]2C1 ZINC000570973545 1072454482 /nfs/dbraw/zinc/45/44/82/1072454482.db2.gz PIIADPAZCWIXFC-ZIAGYGMSSA-N 0 0 426.437 -0.106 20 30 IBEDRN Cc1nn(C)c(N2CCN(C(=O)C(=O)NCCS(=O)(=O)c3ccccc3)CC2)c1C#N ZINC000570990818 1072454965 /nfs/dbraw/zinc/45/49/65/1072454965.db2.gz QZZUDBNLLOVEHM-UHFFFAOYSA-N 0 0 444.517 -0.161 20 30 IBEDRN COCC(=O)N1CCN(C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 ZINC000570999596 1072455023 /nfs/dbraw/zinc/45/50/23/1072455023.db2.gz ODFZJONZWAQDII-KRWDZBQOSA-N 0 0 427.461 -0.907 20 30 IBEDRN COCC(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 ZINC000570999600 1072455069 /nfs/dbraw/zinc/45/50/69/1072455069.db2.gz ODFZJONZWAQDII-QGZVFWFLSA-N 0 0 427.461 -0.907 20 30 IBEDRN C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCCNS(=O)(=O)c2ccc(C)s2)C1=O ZINC000571003228 1072455334 /nfs/dbraw/zinc/45/53/34/1072455334.db2.gz XZKLFBOJHSTRQT-CYBMUJFWSA-N 0 0 428.536 -0.304 20 30 IBEDRN C=CCN1CC[C@H](N(C)C(=O)C(=O)NCCNS(=O)(=O)c2ccc(C)s2)C1=O ZINC000571003229 1072455382 /nfs/dbraw/zinc/45/53/82/1072455382.db2.gz XZKLFBOJHSTRQT-ZDUSSCGKSA-N 0 0 428.536 -0.304 20 30 IBEDRN N#Cc1ccncc1N1CCN(C(=O)C(=O)Nc2cnn(CCN3CCOCC3)c2)CC1 ZINC000571184840 1072456760 /nfs/dbraw/zinc/45/67/60/1072456760.db2.gz LNMZUYOPMMLZFR-UHFFFAOYSA-N 0 0 438.492 -0.231 20 30 IBEDRN CNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)n2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000571348433 1072460056 /nfs/dbraw/zinc/46/00/56/1072460056.db2.gz WEVMFWYQUUSHEP-UHFFFAOYSA-N 0 0 435.465 -0.349 20 30 IBEDRN N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)cc1 ZINC000571366756 1073681530 /nfs/dbraw/zinc/68/15/30/1073681530.db2.gz MTBSTRJVOVORQC-UHFFFAOYSA-N 0 0 433.490 -0.870 20 30 IBEDRN CCOC(=O)CNC(=O)C1CCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000571368052 1072460700 /nfs/dbraw/zinc/46/07/00/1072460700.db2.gz COLDOMZMJFXUNR-UHFFFAOYSA-N 0 0 436.490 -0.246 20 30 IBEDRN CCN(Cc1nnc(C)o1)[C@H]1CN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)C[C@H]1O ZINC000571370217 1073681357 /nfs/dbraw/zinc/68/13/57/1073681357.db2.gz YVETZLCXWIZYQL-DLBZAZTESA-N 0 0 448.505 -0.378 20 30 IBEDRN CCN(Cc1nnc(C)o1)[C@@H]1CN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)C[C@H]1O ZINC000571370218 1073681331 /nfs/dbraw/zinc/68/13/31/1073681331.db2.gz YVETZLCXWIZYQL-IAGOWNOFSA-N 0 0 448.505 -0.378 20 30 IBEDRN CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N)CC2 ZINC000571387991 1073681519 /nfs/dbraw/zinc/68/15/19/1073681519.db2.gz CNZSZJQXIZBMKF-UHFFFAOYSA-N 0 0 445.505 -0.248 20 30 IBEDRN N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCN(C(=O)c3ccc(=O)[nH]c3)CC2)c1 ZINC000571574652 1072162921 /nfs/dbraw/zinc/16/29/21/1072162921.db2.gz XSDIHFIGVMDAOJ-UHFFFAOYSA-N 0 0 429.458 -0.078 20 30 IBEDRN N#Cc1cccc(S(=O)(=O)NCC(=O)NCCN2CCN(C(=O)C3CCC3)CC2)c1 ZINC000571725867 1072463711 /nfs/dbraw/zinc/46/37/11/1072463711.db2.gz KZSQLXJMQXBRSI-UHFFFAOYSA-N 0 0 433.534 -0.103 20 30 IBEDRN N#Cc1ccc(S(=O)(=O)NCC(=O)NC2CCN(S(=O)(=O)C3CC3)CC2)cc1 ZINC000571727037 1072463547 /nfs/dbraw/zinc/46/35/47/1072463547.db2.gz QTKIRQQFLDLLRW-UHFFFAOYSA-N 0 0 426.520 -0.091 20 30 IBEDRN N#Cc1ccncc1N1CCN(CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CC1 ZINC000571832883 1072464746 /nfs/dbraw/zinc/46/47/46/1072464746.db2.gz QHQHTLITUMHXRY-UHFFFAOYSA-N 0 0 441.536 -0.922 20 30 IBEDRN N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N2CCN(c3ncccc3C(N)=O)CC2)n1 ZINC000572084649 1072468105 /nfs/dbraw/zinc/46/81/05/1072468105.db2.gz WKFIYNIMSABGFC-UHFFFAOYSA-N 0 0 445.443 -0.080 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2cc(OC)c(OC)c(OC)c2)CC1 ZINC000572131356 1072181361 /nfs/dbraw/zinc/18/13/61/1072181361.db2.gz VXFHYUYWYKNMBB-UHFFFAOYSA-N 0 0 434.493 -0.225 20 30 IBEDRN N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCN(S(=O)(=O)c3cccnc3)CC2)c1 ZINC000572169945 1072468566 /nfs/dbraw/zinc/46/85/66/1072468566.db2.gz BJOYXZDFGLRBGO-UHFFFAOYSA-N 0 0 449.514 -0.235 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)NCCNc2ncnc3ccc([N+](=O)[O-])cc32)C1=O ZINC000572306557 1073303422 /nfs/dbraw/zinc/30/34/22/1073303422.db2.gz IHTSGTIUEQTGQG-UHFFFAOYSA-N 0 0 427.377 0.043 20 30 IBEDRN CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C1 ZINC000572458890 1072186104 /nfs/dbraw/zinc/18/61/04/1072186104.db2.gz OGDJCKUFRWKVQI-HNNXBMFYSA-N 0 0 431.478 -0.323 20 30 IBEDRN CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C1 ZINC000572458891 1072186209 /nfs/dbraw/zinc/18/62/09/1072186209.db2.gz OGDJCKUFRWKVQI-OAHLLOKOSA-N 0 0 431.478 -0.323 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H]2CCN(c3cccc(OC)c3)C2)CC1 ZINC000572550010 1073021142 /nfs/dbraw/zinc/02/11/42/1073021142.db2.gz SIAIWGGCQBSWAD-KRWDZBQOSA-N 0 0 429.521 -0.164 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CCN(c3cccc(OC)c3)C2)CC1 ZINC000572550011 1073021013 /nfs/dbraw/zinc/02/10/13/1073021013.db2.gz SIAIWGGCQBSWAD-QGZVFWFLSA-N 0 0 429.521 -0.164 20 30 IBEDRN CN(C)S(=O)(=O)n1ccnc1CN1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000572568944 1073031640 /nfs/dbraw/zinc/03/16/40/1073031640.db2.gz KORFODTZSUMCGC-UHFFFAOYSA-N 0 0 438.535 -0.084 20 30 IBEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2sccc2Cl)c(=O)n1CC(N)=O ZINC000572569317 1072474963 /nfs/dbraw/zinc/47/49/63/1072474963.db2.gz LMZDFVPUKBUGRN-UHFFFAOYSA-N 0 0 438.918 -0.528 20 30 IBEDRN N#Cc1ncn(-c2ccccc2NC(=O)C(=O)NCCS(=O)(=O)NCC2CCC2)n1 ZINC000572686469 1072475541 /nfs/dbraw/zinc/47/55/41/1072475541.db2.gz LWTQRNOKUNXJMW-UHFFFAOYSA-N 0 0 431.478 -0.087 20 30 IBEDRN CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000572754211 1072476711 /nfs/dbraw/zinc/47/67/11/1072476711.db2.gz QDQZNHYOCQBUEB-GOSISDBHSA-N 0 0 440.504 -0.550 20 30 IBEDRN CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000572754212 1072476688 /nfs/dbraw/zinc/47/66/88/1072476688.db2.gz QDQZNHYOCQBUEB-SFHVURJKSA-N 0 0 440.504 -0.550 20 30 IBEDRN CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)C1 ZINC000572893707 1071133942 /nfs/dbraw/zinc/13/39/42/1071133942.db2.gz SJIWLYMQXDQQLN-CYBMUJFWSA-N 0 0 446.493 -0.536 20 30 IBEDRN N#Cc1cccc(S(=O)(=O)NCC(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)c1 ZINC000572894835 1071137243 /nfs/dbraw/zinc/13/72/43/1071137243.db2.gz XHYUIJWCSDHPDE-UHFFFAOYSA-N 0 0 432.462 -0.469 20 30 IBEDRN COCCC(=O)N1CCC(NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)CC1 ZINC000572918101 1072479456 /nfs/dbraw/zinc/47/94/56/1072479456.db2.gz JMXOEGYAVNWAOP-UHFFFAOYSA-N 0 0 428.493 -0.254 20 30 IBEDRN CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)NCCn2cnc(C#N)n2)c1 ZINC000572994172 1071196111 /nfs/dbraw/zinc/19/61/11/1071196111.db2.gz QZJAENITBNQXIW-UHFFFAOYSA-N 0 0 433.494 -0.274 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)N(C)[C@H](C)C2CCN(S(=O)(=O)CC)CC2)C1=O ZINC000573005938 1072221582 /nfs/dbraw/zinc/22/15/82/1072221582.db2.gz HMZPPQGDMVUELZ-CYBMUJFWSA-N 0 0 428.511 -0.128 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)N(C)[C@@H](C)C2CCN(S(=O)(=O)CC)CC2)C1=O ZINC000573005939 1072221579 /nfs/dbraw/zinc/22/15/79/1072221579.db2.gz HMZPPQGDMVUELZ-ZDUSSCGKSA-N 0 0 428.511 -0.128 20 30 IBEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)c(OC)c2)c(=O)n1CC(N)=O ZINC000573056603 1072221993 /nfs/dbraw/zinc/22/19/93/1072221993.db2.gz RCHGQMAEIRJPTR-UHFFFAOYSA-N 0 0 444.513 -0.632 20 30 IBEDRN CS(=O)(=O)N1CCC[C@@H]1CNC(=O)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 ZINC000573248405 1072230728 /nfs/dbraw/zinc/23/07/28/1072230728.db2.gz RCDRQSZWXPZFHH-MSOLQXFVSA-N 0 0 433.534 -0.237 20 30 IBEDRN CS(=O)(=O)N1CCC[C@@H]1CNC(=O)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 ZINC000573248406 1072230718 /nfs/dbraw/zinc/23/07/18/1072230718.db2.gz RCDRQSZWXPZFHH-QZTJIDSGSA-N 0 0 433.534 -0.237 20 30 IBEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCS(=O)(=O)N(C)C)cc1 ZINC000573257956 1072483243 /nfs/dbraw/zinc/48/32/43/1072483243.db2.gz QPSZSRQNKLDTPQ-UHFFFAOYSA-N 0 0 432.524 -0.561 20 30 IBEDRN C[C@H](CC#N)N(C)S(=O)(=O)NCCN1CCN(S(=O)(=O)N(C)[C@@H](C)CC#N)CC1 ZINC000573282263 1072230325 /nfs/dbraw/zinc/23/03/25/1072230325.db2.gz WSDZJKSKZKOYJW-CVEARBPZSA-N 0 0 449.603 -0.849 20 30 IBEDRN C[C@@H](CC#N)N(C)S(=O)(=O)NCCN1CCN(S(=O)(=O)N(C)[C@@H](C)CC#N)CC1 ZINC000573282264 1072230259 /nfs/dbraw/zinc/23/02/59/1072230259.db2.gz WSDZJKSKZKOYJW-HOTGVXAUSA-N 0 0 449.603 -0.849 20 30 IBEDRN C[C@H](CC#N)N(C)S(=O)(=O)NCCN1CCN(S(=O)(=O)N(C)[C@H](C)CC#N)CC1 ZINC000573282265 1072230114 /nfs/dbraw/zinc/23/01/14/1072230114.db2.gz WSDZJKSKZKOYJW-HZPDHXFCSA-N 0 0 449.603 -0.849 20 30 IBEDRN C[C@H](CC#N)N(C)S(=O)(=O)N1CCN(CCNS(=O)(=O)N(C)[C@@H](C)CC#N)CC1 ZINC000573282266 1072230344 /nfs/dbraw/zinc/23/03/44/1072230344.db2.gz WSDZJKSKZKOYJW-JKSUJKDBSA-N 0 0 449.603 -0.849 20 30 IBEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2-c2ccccc2)c(=O)n1CC(N)=O ZINC000573410725 1071548722 /nfs/dbraw/zinc/54/87/22/1071548722.db2.gz VSWLYXGVGMOZCZ-UHFFFAOYSA-N 0 0 436.497 -0.392 20 30 IBEDRN N#CC(C(=O)[C@H]1CCOC1)=c1sc(=Cc2ccnn2-c2ccccc2)c(=O)n1CC(N)=O ZINC000573433283 1072485581 /nfs/dbraw/zinc/48/55/81/1072485581.db2.gz DRILDHQOIZRLRH-AWEZNQCLSA-N 0 0 449.492 -0.311 20 30 IBEDRN N#CC(C(=O)[C@@H]1CCOC1)=c1sc(=Cc2ccnn2-c2ccccc2)c(=O)n1CC(N)=O ZINC000573433284 1072485764 /nfs/dbraw/zinc/48/57/64/1072485764.db2.gz DRILDHQOIZRLRH-CQSZACIVSA-N 0 0 449.492 -0.311 20 30 IBEDRN C[C@H](CN1CCOCC1)N(C)C(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000573479730 1071549290 /nfs/dbraw/zinc/54/92/90/1071549290.db2.gz ZOWIUZPTPNZNSN-APWZRJJASA-N 0 0 427.505 -0.046 20 30 IBEDRN C[C@@H](CN1CCOCC1)N(C)C(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000573479732 1071549321 /nfs/dbraw/zinc/54/93/21/1071549321.db2.gz ZOWIUZPTPNZNSN-LPHOPBHVSA-N 0 0 427.505 -0.046 20 30 IBEDRN C[C@@H](CN1CCOCC1)N(C)C(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000573479734 1071549365 /nfs/dbraw/zinc/54/93/65/1071549365.db2.gz ZOWIUZPTPNZNSN-QFBILLFUSA-N 0 0 427.505 -0.046 20 30 IBEDRN C[C@H](CN1CCOCC1)N(C)C(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000573479736 1072237446 /nfs/dbraw/zinc/23/74/46/1072237446.db2.gz ZOWIUZPTPNZNSN-VQIMIIECSA-N 0 0 427.505 -0.046 20 30 IBEDRN CNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1-c1ccc2c(c1)OCCO2 ZINC000573630966 1071551282 /nfs/dbraw/zinc/55/12/82/1071551282.db2.gz WHUKEBBWGCHXQM-UHFFFAOYSA-N 0 0 437.481 -0.039 20 30 IBEDRN N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCN(c3ncccc3C(N)=O)CC2)c1 ZINC000573648294 1071551150 /nfs/dbraw/zinc/55/11/50/1071551150.db2.gz QCGSPOVRKZZYQB-UHFFFAOYSA-N 0 0 428.474 -0.321 20 30 IBEDRN Cn1cc(N2CCN(C(=O)C(=O)Nc3ccn(-c4ccc(C#N)cc4F)n3)CC2=O)cn1 ZINC000573756397 1072489278 /nfs/dbraw/zinc/48/92/78/1072489278.db2.gz ZUMFCSSSDHFHGT-UHFFFAOYSA-N 0 0 436.407 0.430 20 30 IBEDRN Cc1cc(NC(=O)CN2CCN(C(=O)CNS(=O)(=O)c3cccc(C#N)c3)CC2)no1 ZINC000573825063 1073330626 /nfs/dbraw/zinc/33/06/26/1073330626.db2.gz GAKWWOVKIMYFOG-UHFFFAOYSA-N 0 0 446.489 -0.084 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3cc(CC)ncn3)C2)CC1 ZINC000573829231 1072490018 /nfs/dbraw/zinc/49/00/18/1072490018.db2.gz QQXRZLFMXPVOHQ-GOSISDBHSA-N 0 0 443.552 -0.430 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H]2CCCN(c3cc(CC)ncn3)C2)CC1 ZINC000573829232 1072490216 /nfs/dbraw/zinc/49/02/16/1072490216.db2.gz QQXRZLFMXPVOHQ-SFHVURJKSA-N 0 0 443.552 -0.430 20 30 IBEDRN N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCC(N3CCS(=O)(=O)CC3)CC2)c1 ZINC000573854381 1072490621 /nfs/dbraw/zinc/49/06/21/1072490621.db2.gz RGDNMNXOMWVTGY-UHFFFAOYSA-N 0 0 440.547 -0.442 20 30 IBEDRN N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)c1 ZINC000573965382 1071593277 /nfs/dbraw/zinc/59/32/77/1071593277.db2.gz SLEBRPLNURRNKA-UHFFFAOYSA-N 0 0 433.490 -0.870 20 30 IBEDRN C=CCSCCNC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 ZINC000573972146 1072247372 /nfs/dbraw/zinc/24/73/72/1072247372.db2.gz HCVKULITTMJFLB-UHFFFAOYSA-N 0 0 430.508 -0.753 20 30 IBEDRN N#Cc1ncn(-c2ccccc2NC(=O)C(=O)NCCCn2nc3n(c2=O)CCCC3)n1 ZINC000574206898 1072495212 /nfs/dbraw/zinc/49/52/12/1072495212.db2.gz KHVRLJWEBHLRJW-UHFFFAOYSA-N 0 0 435.448 -0.022 20 30 IBEDRN N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCCN(CC(=O)N3CCCC3)CC2)c1 ZINC000574322138 1072256454 /nfs/dbraw/zinc/25/64/54/1072256454.db2.gz KHQYAXJSJVYVNN-UHFFFAOYSA-N 0 0 433.534 -0.007 20 30 IBEDRN CC[C@H](NC(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1)C(=O)N1CCOCC1 ZINC000574359321 1072497210 /nfs/dbraw/zinc/49/72/10/1072497210.db2.gz XUVXDZZWYWDJSC-INIZCTEOSA-N 0 0 431.497 -0.998 20 30 IBEDRN CC[C@@H](NC(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1)C(=O)N1CCOCC1 ZINC000574359325 1072497307 /nfs/dbraw/zinc/49/73/07/1072497307.db2.gz XUVXDZZWYWDJSC-MRXNPFEDSA-N 0 0 431.497 -0.998 20 30 IBEDRN COCc1nc2n(n1)C[C@@H](NC(=O)C(=O)N1CCN(c3c(C#N)c(C)nn3C)CC1)CC2 ZINC000574507843 1072261420 /nfs/dbraw/zinc/26/14/20/1072261420.db2.gz AKRXREUUORGOGD-AWEZNQCLSA-N 0 0 441.496 -0.882 20 30 IBEDRN COCc1nc2n(n1)C[C@H](NC(=O)C(=O)N1CCN(c3c(C#N)c(C)nn3C)CC1)CC2 ZINC000574507844 1072261443 /nfs/dbraw/zinc/26/14/43/1072261443.db2.gz AKRXREUUORGOGD-CQSZACIVSA-N 0 0 441.496 -0.882 20 30 IBEDRN N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccnn2-c2ccccc2)c(=O)n1CC(N)=O ZINC000574634134 1072263135 /nfs/dbraw/zinc/26/31/35/1072263135.db2.gz IPJFZUUGZAPRJX-UHFFFAOYSA-N 0 0 434.481 -0.638 20 30 IBEDRN CN1CCN(S(=O)(=O)N2CCN(S(=O)(=O)Cc3ccc(F)cc3C#N)CC2)CC1 ZINC000574685244 1072300821 /nfs/dbraw/zinc/30/08/21/1072300821.db2.gz UWGFHIVQOPDYTC-UHFFFAOYSA-N 0 0 445.542 -0.363 20 30 IBEDRN Cn1ccnc(N2CCN(C(=O)C(=O)Nc3ccccc3-n3cnc(C#N)n3)CC2)c1=O ZINC000574801076 1072312468 /nfs/dbraw/zinc/31/24/68/1072312468.db2.gz PCHQSFKGRUHJTQ-UHFFFAOYSA-N 0 0 433.432 -0.480 20 30 IBEDRN COC(=O)c1cn(CCNC(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)nn1 ZINC000574829400 1072503126 /nfs/dbraw/zinc/50/31/26/1072503126.db2.gz UYOKQYWVDGIWDP-UHFFFAOYSA-N 0 0 442.823 0.530 20 30 IBEDRN CS(=O)(=O)N1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000574839934 1072503556 /nfs/dbraw/zinc/50/35/56/1072503556.db2.gz JQRIZMKAKANQSA-IAGOWNOFSA-N 0 0 447.517 -0.684 20 30 IBEDRN CS(=O)(=O)N1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000574839935 1072315223 /nfs/dbraw/zinc/31/52/23/1072315223.db2.gz JQRIZMKAKANQSA-SJORKVTESA-N 0 0 447.517 -0.684 20 30 IBEDRN N#Cc1cncc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)c1 ZINC000575030534 1072268581 /nfs/dbraw/zinc/26/85/81/1072268581.db2.gz IFOIAAJMNYJPOJ-UHFFFAOYSA-N 0 0 425.448 -0.660 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H]2CC(=O)N(c3cccc(OC)c3)C2)CC1 ZINC000575080571 1072505660 /nfs/dbraw/zinc/50/56/60/1072505660.db2.gz TYUSGVUWTNKUCX-INIZCTEOSA-N 0 0 443.504 -0.637 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CC(=O)N(c3cccc(OC)c3)C2)CC1 ZINC000575080572 1072505635 /nfs/dbraw/zinc/50/56/35/1072505635.db2.gz TYUSGVUWTNKUCX-MRXNPFEDSA-N 0 0 443.504 -0.637 20 30 IBEDRN COC(=O)CN(CCN1CCOCC1)C(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 ZINC000575082137 1072269695 /nfs/dbraw/zinc/26/96/95/1072269695.db2.gz UONOHGRMNGLNLO-UHFFFAOYSA-N 0 0 438.506 -0.256 20 30 IBEDRN N#Cc1cccc(S(=O)(=O)NCC(=O)NCCNS(=O)(=O)c2cccs2)c1 ZINC000575223675 1072506901 /nfs/dbraw/zinc/50/69/01/1072506901.db2.gz CYYVKRFHZDDOMA-UHFFFAOYSA-N 0 0 428.517 -0.007 20 30 IBEDRN CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 ZINC000575372627 1072508107 /nfs/dbraw/zinc/50/81/07/1072508107.db2.gz OHAXNEIYJXKNPB-CHWSQXEVSA-N 0 0 431.478 -0.088 20 30 IBEDRN CS(=O)(=O)N[C@H]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 ZINC000575372628 1072508055 /nfs/dbraw/zinc/50/80/55/1072508055.db2.gz OHAXNEIYJXKNPB-OLZOCXBDSA-N 0 0 431.478 -0.088 20 30 IBEDRN CS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 ZINC000575372629 1072508024 /nfs/dbraw/zinc/50/80/24/1072508024.db2.gz OHAXNEIYJXKNPB-QWHCGFSZSA-N 0 0 431.478 -0.088 20 30 IBEDRN CS(=O)(=O)N[C@H]1CCC[C@H]1CNC(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 ZINC000575372630 1072508116 /nfs/dbraw/zinc/50/81/16/1072508116.db2.gz OHAXNEIYJXKNPB-STQMWFEESA-N 0 0 431.478 -0.088 20 30 IBEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2sccc2Cl)c(=O)n1CC(N)=O ZINC000575826400 1072510721 /nfs/dbraw/zinc/51/07/21/1072510721.db2.gz XJYCMDZEBZUYJM-UHFFFAOYSA-N 0 0 440.934 -0.234 20 30 IBEDRN CCN(Cc1nnc(C)o1)[C@H]1CN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C[C@H]1O ZINC000575844019 1072511275 /nfs/dbraw/zinc/51/12/75/1072511275.db2.gz IQALXGKJOJAHQS-DLBZAZTESA-N 0 0 448.505 -0.378 20 30 IBEDRN CCN(Cc1nnc(C)o1)[C@@H]1CN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C[C@H]1O ZINC000575844020 1072511208 /nfs/dbraw/zinc/51/12/08/1072511208.db2.gz IQALXGKJOJAHQS-IAGOWNOFSA-N 0 0 448.505 -0.378 20 30 IBEDRN CCc1nn(C)c(OC)c1CNC(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC000575907553 1072512637 /nfs/dbraw/zinc/51/26/37/1072512637.db2.gz LGZUFWQZFGWYTP-UHFFFAOYSA-N 0 0 428.497 -0.130 20 30 IBEDRN CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000575948993 1072893295 /nfs/dbraw/zinc/89/32/95/1072893295.db2.gz MPEMUMJASJLCJH-DLBZAZTESA-N 0 0 447.517 -0.290 20 30 IBEDRN CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000575948994 1072893263 /nfs/dbraw/zinc/89/32/63/1072893263.db2.gz MPEMUMJASJLCJH-IAGOWNOFSA-N 0 0 447.517 -0.290 20 30 IBEDRN CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000575948995 1072893311 /nfs/dbraw/zinc/89/33/11/1072893311.db2.gz MPEMUMJASJLCJH-IRXDYDNUSA-N 0 0 447.517 -0.290 20 30 IBEDRN CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000575948997 1072893281 /nfs/dbraw/zinc/89/32/81/1072893281.db2.gz MPEMUMJASJLCJH-SJORKVTESA-N 0 0 447.517 -0.290 20 30 IBEDRN N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)cc1 ZINC000575961791 1072514110 /nfs/dbraw/zinc/51/41/10/1072514110.db2.gz LSUUSUXOPTVRQL-CQSZACIVSA-N 0 0 426.520 -0.091 20 30 IBEDRN Cn1nccc1C=c1sc(=C(C#N)C(=O)c2cc(F)cc(F)c2)n(CC(N)=O)c1=O ZINC000575981696 1072899185 /nfs/dbraw/zinc/89/91/85/1072899185.db2.gz FIALLTPMNPGPGT-UHFFFAOYSA-N 0 0 429.408 -0.207 20 30 IBEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2cc(Cl)cs2)c(=O)n1CC(N)=O ZINC000576100601 1072516148 /nfs/dbraw/zinc/51/61/48/1072516148.db2.gz UASIAHVVHSKYFA-UHFFFAOYSA-N 0 0 438.918 -0.528 20 30 IBEDRN N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N3CCN(c4cnccn4)CC3)C2=O)cc1 ZINC000576141209 1072516745 /nfs/dbraw/zinc/51/67/45/1072516745.db2.gz ZIONAXSHCYFHNM-GOSISDBHSA-N 0 0 433.472 -0.086 20 30 IBEDRN N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CCN(c4cnccn4)CC3)C2=O)cc1 ZINC000576141210 1072516517 /nfs/dbraw/zinc/51/65/17/1072516517.db2.gz ZIONAXSHCYFHNM-SFHVURJKSA-N 0 0 433.472 -0.086 20 30 IBEDRN CS(=O)(=O)NCC1CCN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)CC1 ZINC000576154199 1072517003 /nfs/dbraw/zinc/51/70/03/1072517003.db2.gz FHPCLDWLZALFMY-UHFFFAOYSA-N 0 0 431.478 -0.135 20 30 IBEDRN CC(C)(O)CN1CCN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 ZINC000576379116 1072521001 /nfs/dbraw/zinc/52/10/01/1072521001.db2.gz VOTVTYPYURJBKF-GOSISDBHSA-N 0 0 427.505 -0.310 20 30 IBEDRN CC(C)(O)CN1CCN(C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 ZINC000576379120 1072520788 /nfs/dbraw/zinc/52/07/88/1072520788.db2.gz VOTVTYPYURJBKF-SFHVURJKSA-N 0 0 427.505 -0.310 20 30 IBEDRN CS(=O)(=O)N1CCN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000576499196 1072522625 /nfs/dbraw/zinc/52/26/25/1072522625.db2.gz XPPSYWHBJVHGCV-INIZCTEOSA-N 0 0 433.490 -0.726 20 30 IBEDRN CS(=O)(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000576499197 1072522604 /nfs/dbraw/zinc/52/26/04/1072522604.db2.gz XPPSYWHBJVHGCV-MRXNPFEDSA-N 0 0 433.490 -0.726 20 30 IBEDRN Cc1cc(N2CC[C@H](NC(=O)C(=O)N3CCN(c4cccc(C#N)n4)CC3)C2=O)n(C)n1 ZINC000576614072 1072524487 /nfs/dbraw/zinc/52/44/87/1072524487.db2.gz GFIYXXAEIJKVFC-INIZCTEOSA-N 0 0 436.476 -0.435 20 30 IBEDRN Cc1cc(N2CC[C@@H](NC(=O)C(=O)N3CCN(c4cccc(C#N)n4)CC3)C2=O)n(C)n1 ZINC000576614075 1072524451 /nfs/dbraw/zinc/52/44/51/1072524451.db2.gz GFIYXXAEIJKVFC-MRXNPFEDSA-N 0 0 436.476 -0.435 20 30 IBEDRN CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)Cn3cncc(C#N)c3=O)CC2)cc1 ZINC000576624549 1072525068 /nfs/dbraw/zinc/52/50/68/1072525068.db2.gz ABAPVPXOUCBSIV-UHFFFAOYSA-N 0 0 429.458 -0.149 20 30 IBEDRN Cn1ccc(N2CCC[C@H](NC(=O)C(=O)N3CCN(c4ccc(C#N)cn4)CC3)C2=O)n1 ZINC000576737465 1072526566 /nfs/dbraw/zinc/52/65/66/1072526566.db2.gz JGYKHDNJJMPARI-INIZCTEOSA-N 0 0 436.476 -0.353 20 30 IBEDRN Cn1ccc(N2CCC[C@@H](NC(=O)C(=O)N3CCN(c4ccc(C#N)cn4)CC3)C2=O)n1 ZINC000576737466 1072526580 /nfs/dbraw/zinc/52/65/80/1072526580.db2.gz JGYKHDNJJMPARI-MRXNPFEDSA-N 0 0 436.476 -0.353 20 30 IBEDRN N#Cc1ccc(S(=O)(=O)NCC(=O)NC[C@@H](O)CS(=O)(=O)c2cccs2)cc1 ZINC000576749781 1072527248 /nfs/dbraw/zinc/52/72/48/1072527248.db2.gz OLYPGRWXWDLKAX-CYBMUJFWSA-N 0 0 443.528 -0.151 20 30 IBEDRN N#Cc1ccc(S(=O)(=O)NCC(=O)NC[C@H](O)CS(=O)(=O)c2cccs2)cc1 ZINC000576749794 1072527258 /nfs/dbraw/zinc/52/72/58/1072527258.db2.gz OLYPGRWXWDLKAX-ZDUSSCGKSA-N 0 0 443.528 -0.151 20 30 IBEDRN CN(C[C@@H]1CCCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1)S(C)(=O)=O ZINC000576870735 1072529641 /nfs/dbraw/zinc/52/96/41/1072529641.db2.gz HQLODPGESQSZHR-HNNXBMFYSA-N 0 0 428.536 -0.033 20 30 IBEDRN CN(C[C@H]1CCCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1)S(C)(=O)=O ZINC000576870736 1072529721 /nfs/dbraw/zinc/52/97/21/1072529721.db2.gz HQLODPGESQSZHR-OAHLLOKOSA-N 0 0 428.536 -0.033 20 30 IBEDRN COCCN1CCCN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1=O ZINC000576902195 1072530237 /nfs/dbraw/zinc/53/02/37/1072530237.db2.gz CCQFTMYHXBLYIV-GOSISDBHSA-N 0 0 441.488 -0.517 20 30 IBEDRN COCCN1CCCN(C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1=O ZINC000576902196 1072530249 /nfs/dbraw/zinc/53/02/49/1072530249.db2.gz CCQFTMYHXBLYIV-SFHVURJKSA-N 0 0 441.488 -0.517 20 30 IBEDRN N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCN(c3ccc(C(N)=O)cn3)CC2)cc1 ZINC000576910241 1072530786 /nfs/dbraw/zinc/53/07/86/1072530786.db2.gz FDJSSNJNKMTCFH-UHFFFAOYSA-N 0 0 428.474 -0.321 20 30 IBEDRN Cc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CC(N)=O)c2=O)cc1Cl ZINC000576928482 1072530584 /nfs/dbraw/zinc/53/05/84/1072530584.db2.gz ZPRQPQIXUGJCKE-UHFFFAOYSA-N 0 0 446.916 -0.281 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)c2cc(S(N)(=O)=O)cc([N+](=O)[O-])c2C)CC1 ZINC000577023538 1072532251 /nfs/dbraw/zinc/53/22/51/1072532251.db2.gz WGYDUHVQJLGYSK-UHFFFAOYSA-N 0 0 425.467 -0.389 20 30 IBEDRN CN1CCN(C(=O)CCNC(=O)C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)CC1 ZINC000577066181 1072532852 /nfs/dbraw/zinc/53/28/52/1072532852.db2.gz BOTHTBYVLZMUTM-UHFFFAOYSA-N 0 0 430.484 -0.374 20 30 IBEDRN N#Cc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)cc1F ZINC000577109152 1072534201 /nfs/dbraw/zinc/53/42/01/1072534201.db2.gz GATRQKDEJSAWCB-UHFFFAOYSA-N 0 0 449.420 -0.139 20 30 IBEDRN CS(=O)(=O)NC[C@H]1CCCCN1CC#CCN1CCCC[C@H]1CNS(C)(=O)=O ZINC000577235981 1072536432 /nfs/dbraw/zinc/53/64/32/1072536432.db2.gz YVZRRZRVTNJXHJ-HDICACEKSA-N 0 0 434.628 -0.203 20 30 IBEDRN CS(=O)(=O)NC[C@H]1CCCCN1CC#CCN1CCCC[C@@H]1CNS(C)(=O)=O ZINC000577235982 1072536441 /nfs/dbraw/zinc/53/64/41/1072536441.db2.gz YVZRRZRVTNJXHJ-QZTJIDSGSA-N 0 0 434.628 -0.203 20 30 IBEDRN CS(=O)(=O)NC[C@@H]1CCCCN1CC#CCN1CCCC[C@H]1CNS(C)(=O)=O ZINC000577235983 1072536330 /nfs/dbraw/zinc/53/63/30/1072536330.db2.gz YVZRRZRVTNJXHJ-ROUUACIJSA-N 0 0 434.628 -0.203 20 30 IBEDRN COC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 ZINC000577251420 1072536884 /nfs/dbraw/zinc/53/68/84/1072536884.db2.gz KKKVJCDWSRWQBG-AWEZNQCLSA-N 0 0 441.448 -0.102 20 30 IBEDRN Cn1c(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc2c1n(C)c(=O)n(C)c2=O ZINC000577256218 1072536752 /nfs/dbraw/zinc/53/67/52/1072536752.db2.gz HWQOQXGZDMPKCU-INIZCTEOSA-N 0 0 434.456 -0.022 20 30 IBEDRN Cn1c(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc2c1n(C)c(=O)n(C)c2=O ZINC000577256219 1072536838 /nfs/dbraw/zinc/53/68/38/1072536838.db2.gz HWQOQXGZDMPKCU-MRXNPFEDSA-N 0 0 434.456 -0.022 20 30 IBEDRN N#Cc1cccc(S(=O)(=O)NCC(=O)NCc2ccc(S(=O)(=O)CCO)cc2)c1 ZINC000577312761 1072538609 /nfs/dbraw/zinc/53/86/09/1072538609.db2.gz IOKKBWZOTAGYNC-UHFFFAOYSA-N 0 0 437.499 -0.081 20 30 IBEDRN C=C(C)Cn1c(-c2cnn(C)c2)nnc1N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000577363983 1072539592 /nfs/dbraw/zinc/53/95/92/1072539592.db2.gz OVPUVBIZZJMHJX-UHFFFAOYSA-N 0 0 436.542 -0.046 20 30 IBEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2cc(F)ccc2OC)c(=O)n1CC(N)=O ZINC000577450993 1072541863 /nfs/dbraw/zinc/54/18/63/1072541863.db2.gz IAQCURGPKIBTFZ-UHFFFAOYSA-N 0 0 432.477 -0.038 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C)cc3)C2=O)CC1 ZINC000577537063 1072542520 /nfs/dbraw/zinc/54/25/20/1072542520.db2.gz AEOYFWPZNXZJRJ-IBGZPJMESA-N 0 0 441.532 -0.341 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C)cc3)C2=O)CC1 ZINC000577537064 1072543027 /nfs/dbraw/zinc/54/30/27/1072543027.db2.gz AEOYFWPZNXZJRJ-LJQANCHMSA-N 0 0 441.532 -0.341 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H]2CCCN(c3cc(C)nn3C)C2)CC1 ZINC000577543854 1072543474 /nfs/dbraw/zinc/54/34/74/1072543474.db2.gz PELDUDSMAWZHRC-KRWDZBQOSA-N 0 0 431.541 -0.740 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3cc(C)nn3C)C2)CC1 ZINC000577543855 1072543556 /nfs/dbraw/zinc/54/35/56/1072543556.db2.gz PELDUDSMAWZHRC-QGZVFWFLSA-N 0 0 431.541 -0.740 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CCCN(Cc3ccccn3)C2=O)CC1 ZINC000577555588 1072543543 /nfs/dbraw/zinc/54/35/43/1072543543.db2.gz LUTYGJXROREUJZ-GOSISDBHSA-N 0 0 442.520 -0.865 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H]2CCCN(Cc3ccccn3)C2=O)CC1 ZINC000577555589 1072543386 /nfs/dbraw/zinc/54/33/86/1072543386.db2.gz LUTYGJXROREUJZ-SFHVURJKSA-N 0 0 442.520 -0.865 20 30 IBEDRN Cc1nsc(N2CCN(C(=O)CCn3cnc4c3c(=O)n(C)c(=O)n4C)CC2)c1C#N ZINC000577668563 1072546856 /nfs/dbraw/zinc/54/68/56/1072546856.db2.gz KWAMFNPHSUTBCR-UHFFFAOYSA-N 0 0 442.505 -0.191 20 30 IBEDRN C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000577804854 1072551139 /nfs/dbraw/zinc/55/11/39/1072551139.db2.gz ZDHSKKUXAPRDQE-INIZCTEOSA-N 0 0 433.534 -0.008 20 30 IBEDRN C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000577804855 1072551099 /nfs/dbraw/zinc/55/10/99/1072551099.db2.gz ZDHSKKUXAPRDQE-MRXNPFEDSA-N 0 0 433.534 -0.008 20 30 IBEDRN COc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3cncc(C#N)c3=O)CC2)cc1OC ZINC000577988518 1072554509 /nfs/dbraw/zinc/55/45/09/1072554509.db2.gz UTWNLLIEZXDXGP-UHFFFAOYSA-N 0 0 447.473 -0.335 20 30 IBEDRN CCCNC(=O)CN1CCC(NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)CC1 ZINC000578087550 1072556241 /nfs/dbraw/zinc/55/62/41/1072556241.db2.gz VDTKCQQCGTUAPX-UHFFFAOYSA-N 0 0 441.536 -0.291 20 30 IBEDRN CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 ZINC000578094845 1070818033 /nfs/dbraw/zinc/81/80/33/1070818033.db2.gz OJLJRCPSWBJYMG-DLBZAZTESA-N 0 0 447.517 -0.684 20 30 IBEDRN CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 ZINC000578094846 1072556906 /nfs/dbraw/zinc/55/69/06/1072556906.db2.gz OJLJRCPSWBJYMG-IAGOWNOFSA-N 0 0 447.517 -0.684 20 30 IBEDRN CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 ZINC000578094847 1072556790 /nfs/dbraw/zinc/55/67/90/1072556790.db2.gz OJLJRCPSWBJYMG-IRXDYDNUSA-N 0 0 447.517 -0.684 20 30 IBEDRN CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 ZINC000578094848 1072556921 /nfs/dbraw/zinc/55/69/21/1072556921.db2.gz OJLJRCPSWBJYMG-SJORKVTESA-N 0 0 447.517 -0.684 20 30 IBEDRN C=CCN1C(=O)N=NC1S(=O)(=O)CC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000578212192 1072559024 /nfs/dbraw/zinc/55/90/24/1072559024.db2.gz ZOIFEBLFGPEVFF-UHFFFAOYSA-N 0 0 429.480 -0.168 20 30 IBEDRN C=CCNc1nnc(S(=O)(=O)CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)s1 ZINC000578290662 1072561471 /nfs/dbraw/zinc/56/14/71/1072561471.db2.gz XTRPVMWOWCGFGO-UHFFFAOYSA-N 0 0 443.532 0.146 20 30 IBEDRN CC[C@H](NC(=O)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)C(=O)N1CCOCC1 ZINC000578356462 1072562480 /nfs/dbraw/zinc/56/24/80/1072562480.db2.gz OECDZFRPPDMIGP-MOPGFXCFSA-N 0 0 427.505 -0.023 20 30 IBEDRN CC[C@H](NC(=O)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)C(=O)N1CCOCC1 ZINC000578356463 1072562323 /nfs/dbraw/zinc/56/23/23/1072562323.db2.gz OECDZFRPPDMIGP-OALUTQOASA-N 0 0 427.505 -0.023 20 30 IBEDRN CC[C@@H](NC(=O)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)C(=O)N1CCOCC1 ZINC000578356464 1072562575 /nfs/dbraw/zinc/56/25/75/1072562575.db2.gz OECDZFRPPDMIGP-RBUKOAKNSA-N 0 0 427.505 -0.023 20 30 IBEDRN CC[C@@H](NC(=O)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)C(=O)N1CCOCC1 ZINC000578356465 1072562524 /nfs/dbraw/zinc/56/25/24/1072562524.db2.gz OECDZFRPPDMIGP-RTBURBONSA-N 0 0 427.505 -0.023 20 30 IBEDRN Cn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)cn1 ZINC000578402386 1072563804 /nfs/dbraw/zinc/56/38/04/1072563804.db2.gz WBHLIFLUXUIAHU-APWZRJJASA-N 0 0 436.476 -0.529 20 30 IBEDRN N#Cc1cccnc1N1CCN(C(=O)C(=O)NCCNS(=O)(=O)c2ccccc2)CC1 ZINC000578529668 1072566002 /nfs/dbraw/zinc/56/60/02/1072566002.db2.gz JDVCKMLWEVZZEO-UHFFFAOYSA-N 0 0 442.501 -0.303 20 30 IBEDRN CN1CCN(C(=O)C2CCN(C(=O)CNS(=O)(=O)c3cccc(C#N)c3)CC2)CC1 ZINC000578683277 1070884972 /nfs/dbraw/zinc/88/49/72/1070884972.db2.gz HQZHQHFCHXNGNV-UHFFFAOYSA-N 0 0 433.534 -0.151 20 30 IBEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2C)cc1 ZINC000578696067 1072569271 /nfs/dbraw/zinc/56/92/71/1072569271.db2.gz VSPSZRPVYJWIMM-SWLSCSKDSA-N 0 0 429.520 -0.019 20 30 IBEDRN CCN(CC)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)NCC(=O)NCC#N)CC2=O)cc1 ZINC000578897420 1072572239 /nfs/dbraw/zinc/57/22/39/1072572239.db2.gz FVSJSCVOWHBZOC-AWEZNQCLSA-N 0 0 435.506 -0.174 20 30 IBEDRN CCN(CC)S(=O)(=O)c1ccc(N2C[C@H](C(=O)NCC(=O)NCC#N)CC2=O)cc1 ZINC000578897421 1072572327 /nfs/dbraw/zinc/57/23/27/1072572327.db2.gz FVSJSCVOWHBZOC-CQSZACIVSA-N 0 0 435.506 -0.174 20 30 IBEDRN Cc1cc(N2CC[C@H](NC(=O)C(=O)N3CCN(c4ncccc4C#N)CC3)C2=O)n(C)n1 ZINC000579032087 1072574888 /nfs/dbraw/zinc/57/48/88/1072574888.db2.gz WIZFNLXLRMJIPU-INIZCTEOSA-N 0 0 436.476 -0.435 20 30 IBEDRN Cc1cc(N2CC[C@@H](NC(=O)C(=O)N3CCN(c4ncccc4C#N)CC3)C2=O)n(C)n1 ZINC000579032092 1072574897 /nfs/dbraw/zinc/57/48/97/1072574897.db2.gz WIZFNLXLRMJIPU-MRXNPFEDSA-N 0 0 436.476 -0.435 20 30 IBEDRN COc1cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CC(N)=O)c2=O)ccc1C ZINC000579072340 1072576516 /nfs/dbraw/zinc/57/65/16/1072576516.db2.gz INVYAORQNKDLFQ-UHFFFAOYSA-N 0 0 426.498 -0.162 20 30 IBEDRN Cn1ccc(N2CCC[C@H](NC(=O)C(=O)N3CCN(c4cccc(C#N)n4)CC3)C2=O)n1 ZINC000579159781 1072577569 /nfs/dbraw/zinc/57/75/69/1072577569.db2.gz BFAHPNDHEYKINM-INIZCTEOSA-N 0 0 436.476 -0.353 20 30 IBEDRN Cn1ccc(N2CCC[C@@H](NC(=O)C(=O)N3CCN(c4cccc(C#N)n4)CC3)C2=O)n1 ZINC000579159782 1072577730 /nfs/dbraw/zinc/57/77/30/1072577730.db2.gz BFAHPNDHEYKINM-MRXNPFEDSA-N 0 0 436.476 -0.353 20 30 IBEDRN CC(=O)NC[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCO1 ZINC000579337837 1072580037 /nfs/dbraw/zinc/58/00/37/1072580037.db2.gz CPDSRKJEZCGDDD-MSOLQXFVSA-N 0 0 427.461 -0.467 20 30 IBEDRN CC(=O)NC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCO1 ZINC000579337838 1072579979 /nfs/dbraw/zinc/57/99/79/1072579979.db2.gz CPDSRKJEZCGDDD-QZTJIDSGSA-N 0 0 427.461 -0.467 20 30 IBEDRN CC(=O)NC[C@H]1CN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCO1 ZINC000579337839 1072580070 /nfs/dbraw/zinc/58/00/70/1072580070.db2.gz CPDSRKJEZCGDDD-ROUUACIJSA-N 0 0 427.461 -0.467 20 30 IBEDRN CC(=O)NC[C@H]1CN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCO1 ZINC000579337840 1072580031 /nfs/dbraw/zinc/58/00/31/1072580031.db2.gz CPDSRKJEZCGDDD-ZWKOTPCHSA-N 0 0 427.461 -0.467 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H]2CCN(c3c(F)cccc3F)C2=O)CC1 ZINC000579399631 1072581221 /nfs/dbraw/zinc/58/12/21/1072581221.db2.gz MYKUOLSXZHQYRY-INIZCTEOSA-N 0 0 449.458 -0.367 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CCN(c3c(F)cccc3F)C2=O)CC1 ZINC000579399632 1072581704 /nfs/dbraw/zinc/58/17/04/1072581704.db2.gz MYKUOLSXZHQYRY-MRXNPFEDSA-N 0 0 449.458 -0.367 20 30 IBEDRN CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000579517847 1070920444 /nfs/dbraw/zinc/92/04/44/1070920444.db2.gz XDHBEKVROMRWAB-DLBZAZTESA-N 0 0 447.517 -0.684 20 30 IBEDRN CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000579517848 1070920219 /nfs/dbraw/zinc/92/02/19/1070920219.db2.gz XDHBEKVROMRWAB-IAGOWNOFSA-N 0 0 447.517 -0.684 20 30 IBEDRN CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000579517849 1072583683 /nfs/dbraw/zinc/58/36/83/1072583683.db2.gz XDHBEKVROMRWAB-IRXDYDNUSA-N 0 0 447.517 -0.684 20 30 IBEDRN CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000579517850 1072583828 /nfs/dbraw/zinc/58/38/28/1072583828.db2.gz XDHBEKVROMRWAB-SJORKVTESA-N 0 0 447.517 -0.684 20 30 IBEDRN CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 ZINC000579635439 1073316673 /nfs/dbraw/zinc/31/66/73/1073316673.db2.gz UXBQSPDZAGIPEB-HNNXBMFYSA-N 0 0 441.423 -0.325 20 30 IBEDRN CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 ZINC000579635440 1072585712 /nfs/dbraw/zinc/58/57/12/1072585712.db2.gz UXBQSPDZAGIPEB-OAHLLOKOSA-N 0 0 441.423 -0.325 20 30 IBEDRN Cn1ccnc1CN1CCC[C@H](NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)C1=O ZINC000580019902 1070902885 /nfs/dbraw/zinc/90/28/85/1070902885.db2.gz XLINBRSBAKVIBI-INIZCTEOSA-N 0 0 430.490 -0.123 20 30 IBEDRN Cn1ccnc1CN1CCC[C@@H](NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)C1=O ZINC000580019903 1071298354 /nfs/dbraw/zinc/29/83/54/1071298354.db2.gz XLINBRSBAKVIBI-MRXNPFEDSA-N 0 0 430.490 -0.123 20 30 IBEDRN COc1cc(CNC(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)ccc1C#N ZINC000580021827 1071298422 /nfs/dbraw/zinc/29/84/22/1071298422.db2.gz UYCGQZAWAWTYNM-UHFFFAOYSA-N 0 0 436.538 -0.114 20 30 IBEDRN Cc1ccccc1-n1nccc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(CC(N)=O)c1=O ZINC000580023776 1070902863 /nfs/dbraw/zinc/90/28/63/1070902863.db2.gz IOFCPQDIWWYQCI-UHFFFAOYSA-N 0 0 448.508 -0.329 20 30 IBEDRN COc1cc(C)c(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CC(N)=O)c2=O)cc1OC ZINC000580150037 1070915789 /nfs/dbraw/zinc/91/57/89/1070915789.db2.gz VBKPFQJBANSXBB-UHFFFAOYSA-N 0 0 442.497 -0.498 20 30 IBEDRN N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)NCCNC(=O)c3cnccn3)C2=O)cc1 ZINC000580176502 1070916235 /nfs/dbraw/zinc/91/62/35/1070916235.db2.gz RIFDUYCDBZBNHC-INIZCTEOSA-N 0 0 435.444 -0.888 20 30 IBEDRN N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)NCCNC(=O)c3cnccn3)C2=O)cc1 ZINC000580176503 1070916441 /nfs/dbraw/zinc/91/64/41/1070916441.db2.gz RIFDUYCDBZBNHC-MRXNPFEDSA-N 0 0 435.444 -0.888 20 30 IBEDRN COCC(=O)N1CCN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000580250181 1070918782 /nfs/dbraw/zinc/91/87/82/1070918782.db2.gz VKTVXGWLIAEQCC-KRWDZBQOSA-N 0 0 427.461 -0.513 20 30 IBEDRN COCC(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000580250182 1070918564 /nfs/dbraw/zinc/91/85/64/1070918564.db2.gz VKTVXGWLIAEQCC-QGZVFWFLSA-N 0 0 427.461 -0.513 20 30 IBEDRN C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000580349086 1070923402 /nfs/dbraw/zinc/92/34/02/1070923402.db2.gz QGKYYTIUAPQLEQ-INIZCTEOSA-N 0 0 434.497 -0.551 20 30 IBEDRN C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000580349087 1070923311 /nfs/dbraw/zinc/92/33/11/1070923311.db2.gz QGKYYTIUAPQLEQ-MRXNPFEDSA-N 0 0 434.497 -0.551 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCCC3)c(=O)n1CC(N)=O ZINC000580388565 1070929010 /nfs/dbraw/zinc/92/90/10/1070929010.db2.gz UYMOIYAIZSVZFI-UHFFFAOYSA-N 0 0 440.525 -0.460 20 30 IBEDRN N#Cc1ncn(-c2ccccc2NC(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)n1 ZINC000580489573 1070934629 /nfs/dbraw/zinc/93/46/29/1070934629.db2.gz QANJPSVWGDOGGW-UHFFFAOYSA-N 0 0 449.518 -0.428 20 30 IBEDRN CCC(CC)(NC(=O)C1CN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)C1)C(N)=O ZINC000580575649 1071302162 /nfs/dbraw/zinc/30/21/62/1071302162.db2.gz DNJUVXYUZIQIIQ-UHFFFAOYSA-N 0 0 449.533 -0.203 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H]2CCCN(c3ccccc3F)C2=O)CC1 ZINC000580619530 1070939435 /nfs/dbraw/zinc/93/94/35/1070939435.db2.gz KWRUNSGMKIFMQT-KRWDZBQOSA-N 0 0 445.495 -0.116 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccccc3F)C2=O)CC1 ZINC000580619531 1070939455 /nfs/dbraw/zinc/93/94/55/1070939455.db2.gz KWRUNSGMKIFMQT-QGZVFWFLSA-N 0 0 445.495 -0.116 20 30 IBEDRN Cc1nc(S(=O)(=O)N2CCN(C(=O)C(=O)NCc3cccc(C#N)c3)CC2)cn1C ZINC000580719413 1071302031 /nfs/dbraw/zinc/30/20/31/1071302031.db2.gz YMOZMRHJJSFECE-UHFFFAOYSA-N 0 0 430.490 -0.251 20 30 IBEDRN CN(C)C(=O)CN1CCC(NC(=O)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)CC1 ZINC000580732483 1070944365 /nfs/dbraw/zinc/94/43/65/1070944365.db2.gz SXAUDRBTYAWPLG-UHFFFAOYSA-N 0 0 440.548 -0.129 20 30 IBEDRN Cc1cc(N2CCC[C@H](NC(=O)C(=O)N(C)CCCc3[nH]nc(N)c3C#N)C2)n(C)n1 ZINC000580742774 1073362119 /nfs/dbraw/zinc/36/21/19/1073362119.db2.gz KWZIZHZGEYJVKR-AWEZNQCLSA-N 0 0 427.513 0.082 20 30 IBEDRN Cc1cc(N2CCC[C@@H](NC(=O)C(=O)N(C)CCCc3[nH]nc(N)c3C#N)C2)n(C)n1 ZINC000580742778 1073362096 /nfs/dbraw/zinc/36/20/96/1073362096.db2.gz KWZIZHZGEYJVKR-CQSZACIVSA-N 0 0 427.513 0.082 20 30 IBEDRN Cc1nsc(N2CCN(C(=O)Cn3c(=O)c4c(ncn4C)n(C)c3=O)CC2)c1C#N ZINC000580746561 1071302527 /nfs/dbraw/zinc/30/25/27/1071302527.db2.gz ZADZTBJDAANDOZ-UHFFFAOYSA-N 0 0 428.478 -0.581 20 30 IBEDRN COCCN1CCCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1=O ZINC000580766368 1071302468 /nfs/dbraw/zinc/30/24/68/1071302468.db2.gz BNCVSZYDLVCOOL-GOSISDBHSA-N 0 0 441.488 -0.123 20 30 IBEDRN COCCN1CCCN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1=O ZINC000580766369 1071302549 /nfs/dbraw/zinc/30/25/49/1071302549.db2.gz BNCVSZYDLVCOOL-SFHVURJKSA-N 0 0 441.488 -0.123 20 30 IBEDRN Cn1cc(N2CCN(C(=O)C(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)CC2=O)cn1 ZINC000580855494 1070950243 /nfs/dbraw/zinc/95/02/43/1070950243.db2.gz QBQSRJDNUXVSJA-GOSISDBHSA-N 0 0 449.471 -0.616 20 30 IBEDRN Cn1cc(N2CCN(C(=O)C(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)CC2=O)cn1 ZINC000580855495 1071303212 /nfs/dbraw/zinc/30/32/12/1071303212.db2.gz QBQSRJDNUXVSJA-SFHVURJKSA-N 0 0 449.471 -0.616 20 30 IBEDRN Cc1cc(N2CCN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)CC2)n2ncnc2n1 ZINC000581040906 1070959060 /nfs/dbraw/zinc/95/90/60/1070959060.db2.gz WAICHHNMTFVTFA-UHFFFAOYSA-N 0 0 440.489 -0.069 20 30 IBEDRN CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)N(CCC#N)CCN2CCOCC2)cc1 ZINC000581043734 1070959658 /nfs/dbraw/zinc/95/96/58/1070959658.db2.gz WKIOWIUNOUGUTL-UHFFFAOYSA-N 0 0 437.522 -0.002 20 30 IBEDRN COc1ccc(F)cc1C=c1sc(=C(C#N)C(=O)NCC(C)C)n(CC(N)=O)c1=O ZINC000581044855 1071304701 /nfs/dbraw/zinc/30/47/01/1071304701.db2.gz YGQNLRPNLBVCQR-UHFFFAOYSA-N 0 0 432.477 -0.182 20 30 IBEDRN CN(C)S(=O)(=O)N1CCCC[C@H]1CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N ZINC000581155552 1073308710 /nfs/dbraw/zinc/30/87/10/1073308710.db2.gz LGIKKGXBQWRPPG-AWEZNQCLSA-N 0 0 439.542 0.225 20 30 IBEDRN CN(C)S(=O)(=O)N1CCCC[C@@H]1CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N ZINC000581155556 1070964296 /nfs/dbraw/zinc/96/42/96/1070964296.db2.gz LGIKKGXBQWRPPG-CQSZACIVSA-N 0 0 439.542 0.225 20 30 IBEDRN COCCC(=O)N1CCC(NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)CC1 ZINC000581156621 1071304690 /nfs/dbraw/zinc/30/46/90/1071304690.db2.gz YUNOALBUBHZTHO-UHFFFAOYSA-N 0 0 428.493 -0.254 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(COCCOC)cc2)c(=O)n1C ZINC000581391321 1070974074 /nfs/dbraw/zinc/97/40/74/1070974074.db2.gz ARIZEWPAZKMIBH-UHFFFAOYSA-N 0 0 431.514 -0.125 20 30 IBEDRN CC(C)NC(=O)C(=O)N1CCN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)CC1 ZINC000581399688 1070975117 /nfs/dbraw/zinc/97/51/17/1070975117.db2.gz AHZNMPBHPUYPKX-UHFFFAOYSA-N 0 0 438.448 -0.727 20 30 IBEDRN C=CC[C@H](CO)NC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC ZINC000581575117 1070983965 /nfs/dbraw/zinc/98/39/65/1070983965.db2.gz CMDQFKNUUFEGHO-CYBMUJFWSA-N 0 0 427.479 -0.292 20 30 IBEDRN C=CC[C@@H](CO)NC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC ZINC000581575118 1070984508 /nfs/dbraw/zinc/98/45/08/1070984508.db2.gz CMDQFKNUUFEGHO-ZDUSSCGKSA-N 0 0 427.479 -0.292 20 30 IBEDRN Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H]3CCN(CC(F)(F)F)C3=O)CC2)c1C#N ZINC000581685012 1071306209 /nfs/dbraw/zinc/30/62/09/1071306209.db2.gz NLGRRYDUUOARMH-CYBMUJFWSA-N 0 0 441.414 -0.472 20 30 IBEDRN Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@H]3CCN(CC(F)(F)F)C3=O)CC2)c1C#N ZINC000581685013 1070991412 /nfs/dbraw/zinc/99/14/12/1070991412.db2.gz NLGRRYDUUOARMH-ZDUSSCGKSA-N 0 0 441.414 -0.472 20 30 IBEDRN C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000581697480 1070992116 /nfs/dbraw/zinc/99/21/16/1070992116.db2.gz MJPPZZOKHNDLOV-INIZCTEOSA-N 0 0 433.534 -0.008 20 30 IBEDRN C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000581697481 1070992082 /nfs/dbraw/zinc/99/20/82/1070992082.db2.gz MJPPZZOKHNDLOV-MRXNPFEDSA-N 0 0 433.534 -0.008 20 30 IBEDRN CCC(CC)(NC(=O)C1CN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1)C(N)=O ZINC000581758098 1071305472 /nfs/dbraw/zinc/30/54/72/1071305472.db2.gz PJGLCLPXXVVSNM-UHFFFAOYSA-N 0 0 435.506 -0.545 20 30 IBEDRN N#C[C@H]1COCCN1S(=O)(=O)c1ccc(S(=O)(=O)N2CCOC[C@@H]2C#N)cc1 ZINC000581782468 1070997299 /nfs/dbraw/zinc/99/72/99/1070997299.db2.gz ZLJXSSPWJQBVSI-KBPBESRZSA-N 0 0 426.476 -0.487 20 30 IBEDRN N#C[C@@H]1COCCN1S(=O)(=O)c1ccc(S(=O)(=O)N2CCOC[C@@H]2C#N)cc1 ZINC000581782469 1070997263 /nfs/dbraw/zinc/99/72/63/1070997263.db2.gz ZLJXSSPWJQBVSI-OKILXGFUSA-N 0 0 426.476 -0.487 20 30 IBEDRN N#C[C@@H]1COCCN1S(=O)(=O)c1ccc(S(=O)(=O)N2CCOC[C@H]2C#N)cc1 ZINC000581782470 1070997116 /nfs/dbraw/zinc/99/71/16/1070997116.db2.gz ZLJXSSPWJQBVSI-ZIAGYGMSSA-N 0 0 426.476 -0.487 20 30 IBEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OCC)c(F)c2)c(=O)n1CC(N)=O ZINC000581863928 1071001561 /nfs/dbraw/zinc/00/15/61/1071001561.db2.gz LZFUSBDFNUJZFJ-UHFFFAOYSA-N 0 0 430.461 -0.262 20 30 IBEDRN N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCC[C@H](N3CCCS3(=O)=O)C2)c1 ZINC000581916263 1071306685 /nfs/dbraw/zinc/30/66/85/1071306685.db2.gz PHCSQAYHELGNRY-HNNXBMFYSA-N 0 0 426.520 -0.137 20 30 IBEDRN N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCC[C@@H](N3CCCS3(=O)=O)C2)c1 ZINC000581916264 1071306570 /nfs/dbraw/zinc/30/65/70/1071306570.db2.gz PHCSQAYHELGNRY-OAHLLOKOSA-N 0 0 426.520 -0.137 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@H](C[C@H]3COCC(=O)N3)c3ccccc32)C1=O ZINC000582082213 1071068557 /nfs/dbraw/zinc/06/85/57/1071068557.db2.gz BIUGDVISUNHNER-KBPBESRZSA-N 0 0 426.429 -0.001 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@@H](C[C@H]3COCC(=O)N3)c3ccccc32)C1=O ZINC000582082214 1071068343 /nfs/dbraw/zinc/06/83/43/1071068343.db2.gz BIUGDVISUNHNER-KGLIPLIRSA-N 0 0 426.429 -0.001 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@H](C[C@@H]3COCC(=O)N3)c3ccccc32)C1=O ZINC000582082215 1071068397 /nfs/dbraw/zinc/06/83/97/1071068397.db2.gz BIUGDVISUNHNER-UONOGXRCSA-N 0 0 426.429 -0.001 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@@H](C[C@@H]3COCC(=O)N3)c3ccccc32)C1=O ZINC000582082216 1071068540 /nfs/dbraw/zinc/06/85/40/1071068540.db2.gz BIUGDVISUNHNER-ZIAGYGMSSA-N 0 0 426.429 -0.001 20 30 IBEDRN N#Cc1ccc(S(=O)(=O)CCN2CCN(S(=O)(=O)Cc3ccon3)CC2)nc1 ZINC000582086079 1071307139 /nfs/dbraw/zinc/30/71/39/1071307139.db2.gz IBIIZAWRTVZMDF-UHFFFAOYSA-N 0 0 425.492 -0.137 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)C1=O ZINC000582202746 1071077831 /nfs/dbraw/zinc/07/78/31/1071077831.db2.gz ZVNKGAOTYGVIBJ-UHFFFAOYSA-N 0 0 429.389 -0.144 20 30 IBEDRN COCCN1CN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1=O ZINC000582308542 1071081544 /nfs/dbraw/zinc/08/15/44/1071081544.db2.gz HIADKCSQUQUHBH-UHFFFAOYSA-N 0 0 435.506 -0.861 20 30 IBEDRN CN(CCCc1[nH]nc(N)c1C#N)C(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000582318058 1071082064 /nfs/dbraw/zinc/08/20/64/1071082064.db2.gz XCVKIYZVRGZBHK-UHFFFAOYSA-N 0 0 445.505 -0.311 20 30 IBEDRN N#Cc1cccc(S(=O)(=O)NCC(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)c1 ZINC000582456585 1071093237 /nfs/dbraw/zinc/09/32/37/1071093237.db2.gz ZREKZRDWBWTUBR-HNNXBMFYSA-N 0 0 444.535 -0.559 20 30 IBEDRN N#Cc1cccc(S(=O)(=O)NCC(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)c1 ZINC000582456586 1071307779 /nfs/dbraw/zinc/30/77/79/1071307779.db2.gz ZREKZRDWBWTUBR-OAHLLOKOSA-N 0 0 444.535 -0.559 20 30 IBEDRN CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)NCCn1cnc(C#N)n1 ZINC000582489132 1071094396 /nfs/dbraw/zinc/09/43/96/1071094396.db2.gz FLIKHNUKKDEXFT-UHFFFAOYSA-N 0 0 447.521 -0.085 20 30 IBEDRN N#Cc1ccc(S(=O)(=O)NCC(=O)NCCS(=O)(=O)N2CCSCC2)cc1 ZINC000582516286 1071096199 /nfs/dbraw/zinc/09/61/99/1071096199.db2.gz CXMNVRWQWAZAGC-UHFFFAOYSA-N 0 0 432.549 -0.669 20 30 IBEDRN Cn1ccnc1CN1CCC[C@H](NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1=O ZINC000582517913 1071309573 /nfs/dbraw/zinc/30/95/73/1071309573.db2.gz DXYBAFAGBUOORO-INIZCTEOSA-N 0 0 430.490 -0.123 20 30 IBEDRN Cn1ccnc1CN1CCC[C@@H](NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1=O ZINC000582517914 1071096320 /nfs/dbraw/zinc/09/63/20/1071096320.db2.gz DXYBAFAGBUOORO-MRXNPFEDSA-N 0 0 430.490 -0.123 20 30 IBEDRN CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000582520586 1071096183 /nfs/dbraw/zinc/09/61/83/1071096183.db2.gz MFPDBEKMVSRMFF-UHFFFAOYSA-N 0 0 438.492 -0.175 20 30 IBEDRN CCN(CCCNC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)S(C)(=O)=O ZINC000582561144 1071097525 /nfs/dbraw/zinc/09/75/25/1071097525.db2.gz CVOHWLMQQYHXLF-KRWDZBQOSA-N 0 0 449.533 -0.437 20 30 IBEDRN CCN(CCCNC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)S(C)(=O)=O ZINC000582561146 1071310304 /nfs/dbraw/zinc/31/03/04/1071310304.db2.gz CVOHWLMQQYHXLF-QGZVFWFLSA-N 0 0 449.533 -0.437 20 30 IBEDRN Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@H]3CCCN(c4ccnn4C)C3)CC2)c1C#N ZINC000582566898 1071311013 /nfs/dbraw/zinc/31/10/13/1071311013.db2.gz ICMRNCKHBCJGNL-INIZCTEOSA-N 0 0 439.524 -0.233 20 30 IBEDRN Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H]3CCCN(c4ccnn4C)C3)CC2)c1C#N ZINC000582566900 1071098060 /nfs/dbraw/zinc/09/80/60/1071098060.db2.gz ICMRNCKHBCJGNL-MRXNPFEDSA-N 0 0 439.524 -0.233 20 30 IBEDRN CNC(=O)C(C#N)=c1sc(=Cc2ccc(C)c(F)c2)c(=O)n1CCN1CCOCC1 ZINC000582683434 1071312162 /nfs/dbraw/zinc/31/21/62/1071312162.db2.gz WKIDUCZUMKTDBL-UHFFFAOYSA-N 0 0 430.505 -0.061 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)c(C)c2)c(=O)n1CC(N)=O ZINC000582744242 1071121177 /nfs/dbraw/zinc/12/11/77/1071121177.db2.gz OMPXIYIWYWWYMG-UHFFFAOYSA-N 0 0 434.905 -0.377 20 30 IBEDRN CS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 ZINC000582778405 1071123038 /nfs/dbraw/zinc/12/30/38/1071123038.db2.gz VOKHVYHTPJUEBJ-DLBZAZTESA-N 0 0 432.502 -0.189 20 30 IBEDRN CS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 ZINC000582778406 1071122872 /nfs/dbraw/zinc/12/28/72/1071122872.db2.gz VOKHVYHTPJUEBJ-IAGOWNOFSA-N 0 0 432.502 -0.189 20 30 IBEDRN CS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 ZINC000582778407 1071122766 /nfs/dbraw/zinc/12/27/66/1071122766.db2.gz VOKHVYHTPJUEBJ-IRXDYDNUSA-N 0 0 432.502 -0.189 20 30 IBEDRN CS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 ZINC000582778408 1071122953 /nfs/dbraw/zinc/12/29/53/1071122953.db2.gz VOKHVYHTPJUEBJ-SJORKVTESA-N 0 0 432.502 -0.189 20 30 IBEDRN CCS(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)[C@H](C)C1 ZINC000582875872 1071313327 /nfs/dbraw/zinc/31/33/27/1071313327.db2.gz SAPCJCYNAFLWMV-CYBMUJFWSA-N 0 0 431.478 -0.040 20 30 IBEDRN N#Cc1cc(Oc2ccc(NC(=O)C(=O)N3CCN4C(=O)C(=O)NC[C@H]4C3)cc2)ccn1 ZINC000582876029 1071130486 /nfs/dbraw/zinc/13/04/86/1071130486.db2.gz AGXLKGQJVWMAKG-HNNXBMFYSA-N 0 0 434.412 -0.147 20 30 IBEDRN N#Cc1cc(Oc2ccc(NC(=O)C(=O)N3CCN4C(=O)C(=O)NC[C@@H]4C3)cc2)ccn1 ZINC000582876030 1071130727 /nfs/dbraw/zinc/13/07/27/1071130727.db2.gz AGXLKGQJVWMAKG-OAHLLOKOSA-N 0 0 434.412 -0.147 20 30 IBEDRN COc1cc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CC(N)=O)c2=O)ccc1C ZINC000582943966 1071136285 /nfs/dbraw/zinc/13/62/85/1071136285.db2.gz JXRFVGUVTYSPSQ-UHFFFAOYSA-N 0 0 428.514 -0.013 20 30 IBEDRN CCS(=O)(=O)N(C)CCCNC(=O)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000582979559 1071140731 /nfs/dbraw/zinc/14/07/31/1071140731.db2.gz UAYGQVBMSSBXPD-UHFFFAOYSA-N 0 0 435.550 -0.010 20 30 IBEDRN CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)N[C@H]1CCCN(Cc2ccccn2)C1=O ZINC000582986074 1073357063 /nfs/dbraw/zinc/35/70/63/1073357063.db2.gz FHTDRQPHISSATN-KRWDZBQOSA-N 0 0 438.492 -0.043 20 30 IBEDRN CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)N[C@@H]1CCCN(Cc2ccccn2)C1=O ZINC000582986075 1073357073 /nfs/dbraw/zinc/35/70/73/1073357073.db2.gz FHTDRQPHISSATN-QGZVFWFLSA-N 0 0 438.492 -0.043 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)c(Cl)c2)c(=O)n1CC(N)=O ZINC000583002555 1071142212 /nfs/dbraw/zinc/14/22/12/1071142212.db2.gz PXZLKDMDUJVBQG-UHFFFAOYSA-N 0 0 434.905 -0.377 20 30 IBEDRN CNC(=O)C(C#N)=c1sc(=Cc2c(Br)cnn2C)c(=O)n1Cc1ccon1 ZINC000583004175 1071143150 /nfs/dbraw/zinc/14/31/50/1071143150.db2.gz WQPRDKRNVIVDSK-UHFFFAOYSA-N 0 0 449.290 -0.309 20 30 IBEDRN CCN(CCCNC(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)S(C)(=O)=O ZINC000583029667 1071144928 /nfs/dbraw/zinc/14/49/28/1071144928.db2.gz ZZVAIDSACSHUTQ-KRWDZBQOSA-N 0 0 449.533 -0.042 20 30 IBEDRN CCN(CCCNC(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)S(C)(=O)=O ZINC000583029668 1071144941 /nfs/dbraw/zinc/14/49/41/1071144941.db2.gz ZZVAIDSACSHUTQ-QGZVFWFLSA-N 0 0 449.533 -0.042 20 30 IBEDRN C=CCN1CC[C@H](N(C)C(=O)C(=O)NC[C@H]2CCCN(c3nccn4cnnc34)C2)C1=O ZINC000583046454 1071145894 /nfs/dbraw/zinc/14/58/94/1071145894.db2.gz RREPZTSXTVNEOY-CVEARBPZSA-N 0 0 440.508 -0.298 20 30 IBEDRN C=CCN1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2CCCN(c3nccn4cnnc34)C2)C1=O ZINC000583046455 1071145695 /nfs/dbraw/zinc/14/56/95/1071145695.db2.gz RREPZTSXTVNEOY-HOTGVXAUSA-N 0 0 440.508 -0.298 20 30 IBEDRN C=CCN1CC[C@@H](N(C)C(=O)C(=O)NC[C@H]2CCCN(c3nccn4cnnc34)C2)C1=O ZINC000583046456 1071145796 /nfs/dbraw/zinc/14/57/96/1071145796.db2.gz RREPZTSXTVNEOY-HZPDHXFCSA-N 0 0 440.508 -0.298 20 30 IBEDRN C=CCN1CC[C@@H](N(C)C(=O)C(=O)NC[C@@H]2CCCN(c3nccn4cnnc34)C2)C1=O ZINC000583046457 1071145876 /nfs/dbraw/zinc/14/58/76/1071145876.db2.gz RREPZTSXTVNEOY-JKSUJKDBSA-N 0 0 440.508 -0.298 20 30 IBEDRN N#Cc1cncn(CC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1=O ZINC000583053146 1071146345 /nfs/dbraw/zinc/14/63/45/1071146345.db2.gz RTHDZBVEVCNVCK-UHFFFAOYSA-N 0 0 432.418 -0.444 20 30 IBEDRN N#Cc1cccc(N2CCN(C(=O)C(=O)NCCCn3nc4n(c3=O)CCCC4)CC2)n1 ZINC000583135299 1071150224 /nfs/dbraw/zinc/15/02/24/1071150224.db2.gz WCRRACIENKPLAM-UHFFFAOYSA-N 0 0 438.492 -0.497 20 30 IBEDRN N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CC[C@@H](NC(=O)NC4CC4)C3)C2=O)cc1 ZINC000583136106 1071151138 /nfs/dbraw/zinc/15/11/38/1071151138.db2.gz HDNBZGRUFWZTIC-MSOLQXFVSA-N 0 0 438.488 -0.162 20 30 IBEDRN N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N3CC[C@@H](NC(=O)NC4CC4)C3)C2=O)cc1 ZINC000583136107 1071151189 /nfs/dbraw/zinc/15/11/89/1071151189.db2.gz HDNBZGRUFWZTIC-QZTJIDSGSA-N 0 0 438.488 -0.162 20 30 IBEDRN N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CC[C@H](NC(=O)NC4CC4)C3)C2=O)cc1 ZINC000583136108 1071150879 /nfs/dbraw/zinc/15/08/79/1071150879.db2.gz HDNBZGRUFWZTIC-ROUUACIJSA-N 0 0 438.488 -0.162 20 30 IBEDRN N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N3CC[C@H](NC(=O)NC4CC4)C3)C2=O)cc1 ZINC000583136109 1071150969 /nfs/dbraw/zinc/15/09/69/1071150969.db2.gz HDNBZGRUFWZTIC-ZWKOTPCHSA-N 0 0 438.488 -0.162 20 30 IBEDRN COCCCn1nccc1C=c1sc(=C(C#N)C(=O)C(C)(C)C)n(CC(N)=O)c1=O ZINC000583219292 1072871159 /nfs/dbraw/zinc/87/11/59/1072871159.db2.gz WITWRJLQZBFJGI-UHFFFAOYSA-N 0 0 431.518 -0.254 20 30 IBEDRN CN(CC(=O)N1CCC(CNS(C)(=O)=O)CC1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000583329620 1071333352 /nfs/dbraw/zinc/33/33/52/1071333352.db2.gz SQNJYLXMZIBVOS-UHFFFAOYSA-N 0 0 428.536 -0.033 20 30 IBEDRN N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N3CCN(Cc4ncc[nH]4)CC3)C2=O)cc1 ZINC000583343646 1071161357 /nfs/dbraw/zinc/16/13/57/1071161357.db2.gz DUZBMXJSHXLDHC-GOSISDBHSA-N 0 0 435.488 -0.157 20 30 IBEDRN N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CCN(Cc4ncc[nH]4)CC3)C2=O)cc1 ZINC000583343647 1071161389 /nfs/dbraw/zinc/16/13/89/1071161389.db2.gz DUZBMXJSHXLDHC-SFHVURJKSA-N 0 0 435.488 -0.157 20 30 IBEDRN COCCC(=O)N1CCC(NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)CC1 ZINC000583405348 1071163520 /nfs/dbraw/zinc/16/35/20/1071163520.db2.gz GYSFBFVEKGTAQJ-UHFFFAOYSA-N 0 0 428.493 -0.254 20 30 IBEDRN N#Cc1ccccc1N1CCN(C(=O)C(=O)NCCNS(=O)(=O)Cc2ccon2)CC1 ZINC000583504812 1071169285 /nfs/dbraw/zinc/16/92/85/1071169285.db2.gz GLONXWUJLLXWKN-UHFFFAOYSA-N 0 0 446.489 -0.569 20 30 IBEDRN N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCN(c3ccc(C(N)=O)cn3)CC2)c1 ZINC000583534321 1071172576 /nfs/dbraw/zinc/17/25/76/1071172576.db2.gz KCEYPPOFAQOXKH-UHFFFAOYSA-N 0 0 428.474 -0.321 20 30 IBEDRN CN(CC(=O)NC[C@H]1CCn2ncc(C(N)=O)c2C1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000583646284 1071192068 /nfs/dbraw/zinc/19/20/68/1071192068.db2.gz QLPBOTGAGIBNCF-AWEZNQCLSA-N 0 0 430.490 -0.147 20 30 IBEDRN CN(CC(=O)NC[C@@H]1CCn2ncc(C(N)=O)c2C1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000583646285 1071192114 /nfs/dbraw/zinc/19/21/14/1071192114.db2.gz QLPBOTGAGIBNCF-CQSZACIVSA-N 0 0 430.490 -0.147 20 30 IBEDRN CN(C)S(=O)(=O)N1CCCN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)CC1 ZINC000583664944 1071196093 /nfs/dbraw/zinc/19/60/93/1071196093.db2.gz XDYAYSBEHPDEIA-UHFFFAOYSA-N 0 0 446.493 -0.582 20 30 IBEDRN CCOc1ccc(C=c2sc(=C(C#N)C(=O)NCCOC)n(CC(N)=O)c2=O)cc1F ZINC000583673320 1071196075 /nfs/dbraw/zinc/19/60/75/1071196075.db2.gz VOFBQRZIDOBLTP-UHFFFAOYSA-N 0 0 448.476 -0.801 20 30 IBEDRN C[C@H](NC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1)c1ccc(C#N)cc1 ZINC000583767170 1071200774 /nfs/dbraw/zinc/20/07/74/1071200774.db2.gz RNMKXLXCJVWXFF-HNNXBMFYSA-N 0 0 427.461 -0.735 20 30 IBEDRN C[C@@H](NC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1)c1ccc(C#N)cc1 ZINC000583767171 1071200622 /nfs/dbraw/zinc/20/06/22/1071200622.db2.gz RNMKXLXCJVWXFF-OAHLLOKOSA-N 0 0 427.461 -0.735 20 30 IBEDRN C[C@H](C(=O)NC1CC1)N1CCN(CC#CCN2CCN([C@@H](C)C(=O)NC3CC3)CC2)CC1 ZINC000583767964 1071200798 /nfs/dbraw/zinc/20/07/98/1071200798.db2.gz CIXDRTXSJPIVOD-BGYRXZFFSA-N 0 0 444.624 -0.441 20 30 IBEDRN C[C@@H](C(=O)NC1CC1)N1CCN(CC#CCN2CCN([C@@H](C)C(=O)NC3CC3)CC2)CC1 ZINC000583767965 1071200765 /nfs/dbraw/zinc/20/07/65/1071200765.db2.gz CIXDRTXSJPIVOD-PMACEKPBSA-N 0 0 444.624 -0.441 20 30 IBEDRN C[C@H](C(=O)NC1CC1)N1CCN(CC#CCN2CCN([C@H](C)C(=O)NC3CC3)CC2)CC1 ZINC000583767966 1071200749 /nfs/dbraw/zinc/20/07/49/1071200749.db2.gz CIXDRTXSJPIVOD-WOJBJXKFSA-N 0 0 444.624 -0.441 20 30 IBEDRN CC(C)(C(N)=O)N1CCN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000583834034 1071204055 /nfs/dbraw/zinc/20/40/55/1071204055.db2.gz PHMACKPDSPZMRA-KRWDZBQOSA-N 0 0 440.504 -0.422 20 30 IBEDRN CC(C)(C(N)=O)N1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000583834035 1071203793 /nfs/dbraw/zinc/20/37/93/1071203793.db2.gz PHMACKPDSPZMRA-QGZVFWFLSA-N 0 0 440.504 -0.422 20 30 IBEDRN CN(C)S(=O)(=O)N1CCCC[C@H]1CNC(=O)CNS(=O)(=O)c1cccc(C#N)c1 ZINC000583843796 1071204672 /nfs/dbraw/zinc/20/46/72/1071204672.db2.gz FCHARKBXOGLYKP-HNNXBMFYSA-N 0 0 443.551 -0.386 20 30 IBEDRN CN(C)S(=O)(=O)N1CCCC[C@@H]1CNC(=O)CNS(=O)(=O)c1cccc(C#N)c1 ZINC000583843797 1071204909 /nfs/dbraw/zinc/20/49/09/1071204909.db2.gz FCHARKBXOGLYKP-OAHLLOKOSA-N 0 0 443.551 -0.386 20 30 IBEDRN N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)NCCNC(=O)c3cnccn3)C2=O)cc1 ZINC000583951019 1071207721 /nfs/dbraw/zinc/20/77/21/1071207721.db2.gz KAZMRQVHHXVUTE-INIZCTEOSA-N 0 0 435.444 -0.494 20 30 IBEDRN N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)NCCNC(=O)c3cnccn3)C2=O)cc1 ZINC000583951020 1071207796 /nfs/dbraw/zinc/20/77/96/1071207796.db2.gz KAZMRQVHHXVUTE-MRXNPFEDSA-N 0 0 435.444 -0.494 20 30 IBEDRN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 ZINC000584008353 1071211696 /nfs/dbraw/zinc/21/16/96/1071211696.db2.gz NVQYAGKYRMMRGP-HKUYNNGSSA-N 0 0 428.489 -0.028 20 30 IBEDRN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 ZINC000584008354 1071211975 /nfs/dbraw/zinc/21/19/75/1071211975.db2.gz NVQYAGKYRMMRGP-IEBWSBKVSA-N 0 0 428.489 -0.028 20 30 IBEDRN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 ZINC000584008355 1071211948 /nfs/dbraw/zinc/21/19/48/1071211948.db2.gz NVQYAGKYRMMRGP-MJGOQNOKSA-N 0 0 428.489 -0.028 20 30 IBEDRN C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 ZINC000584008356 1071212083 /nfs/dbraw/zinc/21/20/83/1071212083.db2.gz NVQYAGKYRMMRGP-PKOBYXMFSA-N 0 0 428.489 -0.028 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)NCC2CCN(CC(F)(F)F)CC2)CC1 ZINC000584073702 1071214275 /nfs/dbraw/zinc/21/42/75/1071214275.db2.gz KVDBXXXLBLQKRS-UHFFFAOYSA-N 0 0 433.475 -0.177 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2cnc(N3CCOCC3)c(F)c2)CC1 ZINC000584080722 1071215277 /nfs/dbraw/zinc/21/52/77/1071215277.db2.gz PLEJKALOSJZDLM-UHFFFAOYSA-N 0 0 448.499 -0.880 20 30 IBEDRN CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)NCC(=O)NCC#N ZINC000584164587 1071216764 /nfs/dbraw/zinc/21/67/64/1071216764.db2.gz BOONVCBRPYEWKF-UHFFFAOYSA-N 0 0 425.467 -0.133 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cn2)C1=O ZINC000584195750 1071217486 /nfs/dbraw/zinc/21/74/86/1071217486.db2.gz PTDHONAOLXNRMH-UHFFFAOYSA-N 0 0 437.434 -0.982 20 30 IBEDRN N#Cc1cncn(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)c1=O ZINC000584260860 1071218986 /nfs/dbraw/zinc/21/89/86/1071218986.db2.gz ZPCXISGZQHGOSN-UHFFFAOYSA-N 0 0 445.457 -0.581 20 30 IBEDRN CNS(=O)(=O)[C@H]1CCN(c2ccc(C#N)c(N3CC[C@H](S(=O)(=O)NC)C3)n2)C1 ZINC000584270210 1071219010 /nfs/dbraw/zinc/21/90/10/1071219010.db2.gz RJFPJAZMRREULA-KBPBESRZSA-N 0 0 428.540 -0.791 20 30 IBEDRN CNS(=O)(=O)[C@@H]1CCN(c2ccc(C#N)c(N3CC[C@H](S(=O)(=O)NC)C3)n2)C1 ZINC000584270211 1071219096 /nfs/dbraw/zinc/21/90/96/1071219096.db2.gz RJFPJAZMRREULA-KGLIPLIRSA-N 0 0 428.540 -0.791 20 30 IBEDRN CNS(=O)(=O)[C@@H]1CCN(c2nc(N3CC[C@H](S(=O)(=O)NC)C3)ccc2C#N)C1 ZINC000584270212 1071218901 /nfs/dbraw/zinc/21/89/01/1071218901.db2.gz RJFPJAZMRREULA-UONOGXRCSA-N 0 0 428.540 -0.791 20 30 IBEDRN CNS(=O)(=O)[C@@H]1CCN(c2ccc(C#N)c(N3CC[C@@H](S(=O)(=O)NC)C3)n2)C1 ZINC000584270213 1071218940 /nfs/dbraw/zinc/21/89/40/1071218940.db2.gz RJFPJAZMRREULA-ZIAGYGMSSA-N 0 0 428.540 -0.791 20 30 IBEDRN CNS(=O)(=O)NC1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000584282934 1071219818 /nfs/dbraw/zinc/21/98/18/1071219818.db2.gz XUGHVOHMFRRNQG-UHFFFAOYSA-N 0 0 429.524 -0.776 20 30 IBEDRN CS(=O)(=O)NC[C@H]1CCCN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)C1 ZINC000584381398 1071222946 /nfs/dbraw/zinc/22/29/46/1071222946.db2.gz WQFZPCNRDBCJLW-CYBMUJFWSA-N 0 0 431.478 -0.135 20 30 IBEDRN CS(=O)(=O)NC[C@@H]1CCCN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)C1 ZINC000584381399 1071336721 /nfs/dbraw/zinc/33/67/21/1071336721.db2.gz WQFZPCNRDBCJLW-ZDUSSCGKSA-N 0 0 431.478 -0.135 20 30 IBEDRN CNS(=O)(=O)c1cccc(CNC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 ZINC000584424957 1071223766 /nfs/dbraw/zinc/22/37/66/1071223766.db2.gz APZJFOSEFJYXSF-UHFFFAOYSA-N 0 0 442.501 -0.174 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H]2CCN(c3ccccc3OC)C2=O)CC1 ZINC000584492797 1071283832 /nfs/dbraw/zinc/28/38/32/1071283832.db2.gz TYHCSZPOKKDECM-INIZCTEOSA-N 0 0 443.504 -0.637 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CCN(c3ccccc3OC)C2=O)CC1 ZINC000584492798 1071283920 /nfs/dbraw/zinc/28/39/20/1071283920.db2.gz TYHCSZPOKKDECM-MRXNPFEDSA-N 0 0 443.504 -0.637 20 30 IBEDRN CNC(=O)C(C#N)=c1sc(=Cc2cc(F)ccc2C)c(=O)n1CCN1CCOCC1 ZINC000584548201 1071345270 /nfs/dbraw/zinc/34/52/70/1071345270.db2.gz PRTXIHQRXWRFIV-UHFFFAOYSA-N 0 0 430.505 -0.061 20 30 IBEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(C#N)c2)c(=O)n1CC(N)=O ZINC000584813393 1071361913 /nfs/dbraw/zinc/36/19/13/1071361913.db2.gz VOYLVXNJCTULIK-UHFFFAOYSA-N 0 0 439.497 -0.305 20 30 IBEDRN Cc1cc(NC(=O)CN2CCN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)CC2)no1 ZINC000585695628 1073330745 /nfs/dbraw/zinc/33/07/45/1073330745.db2.gz KWCJKWZCIDVOQO-UHFFFAOYSA-N 0 0 446.489 -0.084 20 30 IBEDRN N#CCN1CCC(NC(=O)C(=O)NCCNS(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000585704348 1071256900 /nfs/dbraw/zinc/25/69/00/1071256900.db2.gz HYSFWYIEPQEQRD-UHFFFAOYSA-N 0 0 427.914 -0.161 20 30 IBEDRN C[C@@H](NC(=O)C(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1)c1ccc(C#N)cc1 ZINC000585713399 1071457548 /nfs/dbraw/zinc/45/75/48/1071457548.db2.gz SSHASAMSFPTDCG-CYBMUJFWSA-N 0 0 425.449 -0.776 20 30 IBEDRN C[C@H](NC(=O)C(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1)c1ccc(C#N)cc1 ZINC000585713400 1071457706 /nfs/dbraw/zinc/45/77/06/1071457706.db2.gz SSHASAMSFPTDCG-ZDUSSCGKSA-N 0 0 425.449 -0.776 20 30 IBEDRN CN1CCN(C(=O)CCNC(=O)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)CC1 ZINC000585715625 1072762807 /nfs/dbraw/zinc/76/28/07/1072762807.db2.gz ARITVNTVCLNEQN-UHFFFAOYSA-N 0 0 443.508 -0.647 20 30 IBEDRN CN1CCN(C(=O)CCNC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000585715645 1071457724 /nfs/dbraw/zinc/45/77/24/1071457724.db2.gz DZWJINSLIKNZJR-GOSISDBHSA-N 0 0 440.504 -0.550 20 30 IBEDRN CN1CCN(C(=O)CCNC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000585715647 1071458468 /nfs/dbraw/zinc/45/84/68/1071458468.db2.gz DZWJINSLIKNZJR-SFHVURJKSA-N 0 0 440.504 -0.550 20 30 IBEDRN CN1CCN(C(=O)CCNC(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC1 ZINC000585715767 1071457586 /nfs/dbraw/zinc/45/75/86/1071457586.db2.gz JPSHMYZAQOWSEV-UHFFFAOYSA-N 0 0 427.509 -0.681 20 30 IBEDRN CNC(=O)CN1CCC(NC(=O)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)CC1 ZINC000585722458 1071458442 /nfs/dbraw/zinc/45/84/42/1071458442.db2.gz WYPGYIIBKPIWET-UHFFFAOYSA-N 0 0 443.508 -0.601 20 30 IBEDRN CCS(=O)(=O)N(C)CCCNC(=O)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 ZINC000585727676 1072823751 /nfs/dbraw/zinc/82/37/51/1072823751.db2.gz BRQMASJZWXMGEG-UHFFFAOYSA-N 0 0 436.538 -0.174 20 30 IBEDRN COC(=O)c1cn(CCNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)nn1 ZINC000585746877 1071459234 /nfs/dbraw/zinc/45/92/34/1071459234.db2.gz PYUUYAWVRCFYAD-UHFFFAOYSA-N 0 0 447.477 -0.348 20 30 IBEDRN CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000585774166 1071460405 /nfs/dbraw/zinc/46/04/05/1071460405.db2.gz NUUFBMYGOPDGGP-UHFFFAOYSA-N 0 0 435.550 -0.011 20 30 IBEDRN CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000585774231 1071460484 /nfs/dbraw/zinc/46/04/84/1071460484.db2.gz USBGGTKUPAHNQP-UHFFFAOYSA-N 0 0 435.550 -0.010 20 30 IBEDRN C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000585774244 1071460566 /nfs/dbraw/zinc/46/05/66/1071460566.db2.gz VXCCHYQKGPHJNJ-UHFFFAOYSA-N 0 0 433.534 -0.234 20 30 IBEDRN CS(=O)(=O)N1CCN(CCNC(=O)C(=O)N2CCC(C#N)(c3ccccn3)CC2)CC1 ZINC000585774273 1071460586 /nfs/dbraw/zinc/46/05/86/1071460586.db2.gz ZWMGTBGXSGJRCZ-UHFFFAOYSA-N 0 0 448.549 -0.841 20 30 IBEDRN CCN(CCCNC(=O)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1)S(C)(=O)=O ZINC000585774414 1071460602 /nfs/dbraw/zinc/46/06/02/1071460602.db2.gz GERNQXYMHGHKCH-UHFFFAOYSA-N 0 0 436.538 -0.174 20 30 IBEDRN Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)NC2CCCC2)n(CC(=O)N(C)C)c1=O ZINC000586115510 1072591207 /nfs/dbraw/zinc/59/12/07/1072591207.db2.gz FXUKEVSGWNJKFA-UHFFFAOYSA-N 0 0 442.545 -0.398 20 30 IBEDRN Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(CC(=O)N(C)C)c1=O ZINC000586115512 1072590944 /nfs/dbraw/zinc/59/09/44/1072590944.db2.gz IZRSHQBICQZMRH-UHFFFAOYSA-N 0 0 428.518 -0.835 20 30 IBEDRN Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)NCC(C)C)n(CC(=O)N(C)C)c1=O ZINC000586115516 1072591191 /nfs/dbraw/zinc/59/11/91/1072591191.db2.gz NMSQMUQIPIPMOT-UHFFFAOYSA-N 0 0 430.534 -0.685 20 30 IBEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1CC(=O)N(C)C ZINC000586115521 1072591168 /nfs/dbraw/zinc/59/11/68/1072591168.db2.gz RWBWLMZBQHNDNX-UHFFFAOYSA-N 0 0 430.534 -0.541 20 30 IBEDRN N#CCN1CCC(NC(=O)C(=O)NCCC(=O)N2CCN(c3ccccc3)CC2)CC1 ZINC000586850261 1071264331 /nfs/dbraw/zinc/26/43/31/1071264331.db2.gz XGXNIVWIYTYHLZ-UHFFFAOYSA-N 0 0 426.521 -0.054 20 30 IBEDRN N#CCN1CCC(NC(=O)C(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)CC1 ZINC000586850665 1073677150 /nfs/dbraw/zinc/67/71/50/1073677150.db2.gz MYNLCTPQWUIMIV-UHFFFAOYSA-N 0 0 427.509 -0.659 20 30 IBEDRN N#Cc1ccc(CNC(=O)C(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)c(F)c1 ZINC000586858615 1073677019 /nfs/dbraw/zinc/67/70/19/1073677019.db2.gz GMZZWQPAIDWXMZ-UHFFFAOYSA-N 0 0 439.451 -0.041 20 30 IBEDRN Cc1cc(NC(=O)CN2CCN(C(=O)C(=O)NCc3ccc(C#N)cc3F)CC2)no1 ZINC000586858877 1073329366 /nfs/dbraw/zinc/32/93/66/1073329366.db2.gz JZCHRWVASMTGRX-UHFFFAOYSA-N 0 0 428.424 0.393 20 30 IBEDRN N#Cc1ccc(CNC(=O)C(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)c(F)c1 ZINC000586858945 1073677103 /nfs/dbraw/zinc/67/71/03/1073677103.db2.gz MULOSTAQRBNOAB-UHFFFAOYSA-N 0 0 435.437 -0.024 20 30 IBEDRN COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)NCc2ccc(C#N)cc2F)CC1 ZINC000586859961 1073677099 /nfs/dbraw/zinc/67/70/99/1073677099.db2.gz NUSRZURFINXAMZ-HNNXBMFYSA-N 0 0 433.484 -0.001 20 30 IBEDRN COCCCNC(=O)[C@@H](C)N1CCN(C(=O)C(=O)NCc2ccc(C#N)cc2F)CC1 ZINC000586859962 1073677083 /nfs/dbraw/zinc/67/70/83/1073677083.db2.gz NUSRZURFINXAMZ-OAHLLOKOSA-N 0 0 433.484 -0.001 20 30 IBEDRN N#Cc1ccc(CNC(=O)C(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)c(F)c1 ZINC000586862156 1073677144 /nfs/dbraw/zinc/67/71/44/1073677144.db2.gz LTLRRCCLCVSAGV-INIZCTEOSA-N 0 0 438.481 -0.033 20 30 IBEDRN N#Cc1ccc(CNC(=O)C(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)c(F)c1 ZINC000586862157 1073677493 /nfs/dbraw/zinc/67/74/93/1073677493.db2.gz LTLRRCCLCVSAGV-MRXNPFEDSA-N 0 0 438.481 -0.033 20 30 IBEDRN Cc1nc(S(=O)(=O)N2CCN(C(=O)C(=O)NCc3ccc(C#N)cc3F)CC2)cn1C ZINC000586863315 1073677681 /nfs/dbraw/zinc/67/76/81/1073677681.db2.gz KSFWITHVEZXGON-UHFFFAOYSA-N 0 0 448.480 -0.111 20 30 IBEDRN CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C1 ZINC000587639637 1072161707 /nfs/dbraw/zinc/16/17/07/1072161707.db2.gz BJCXPPFTUTWFMY-INIZCTEOSA-N 0 0 434.522 -0.422 20 30 IBEDRN CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C1 ZINC000587639640 1072161800 /nfs/dbraw/zinc/16/18/00/1072161800.db2.gz BJCXPPFTUTWFMY-MRXNPFEDSA-N 0 0 434.522 -0.422 20 30 IBEDRN CCNC(=O)CN1CCN(C(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC1 ZINC000587639917 1072161781 /nfs/dbraw/zinc/16/17/81/1072161781.db2.gz GQAODVXGIGENOU-UHFFFAOYSA-N 0 0 427.509 -0.681 20 30 IBEDRN CC(C)(C(N)=O)N1CCN(C(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC1 ZINC000587641129 1072161674 /nfs/dbraw/zinc/16/16/74/1072161674.db2.gz PFNRTFHQEVBYER-UHFFFAOYSA-N 0 0 427.509 -0.554 20 30 IBEDRN N#Cc1ccc(N2CCC(NC(=O)C(=O)N3CCN(C(=O)[C@H]4CCCO4)CC3)CC2)nc1 ZINC000587647181 1072161735 /nfs/dbraw/zinc/16/17/35/1072161735.db2.gz GBXXBXHIRDLKES-GOSISDBHSA-N 0 0 440.504 -0.112 20 30 IBEDRN N#Cc1ccc(N2CCC(NC(=O)C(=O)N3CCN(C(=O)[C@@H]4CCCO4)CC3)CC2)nc1 ZINC000587647182 1072161731 /nfs/dbraw/zinc/16/17/31/1072161731.db2.gz GBXXBXHIRDLKES-SFHVURJKSA-N 0 0 440.504 -0.112 20 30 IBEDRN CN(C)C(=O)CCN1CCN(C(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC1 ZINC000587647183 1072161714 /nfs/dbraw/zinc/16/17/14/1072161714.db2.gz GDZPXUSTHLGYKF-UHFFFAOYSA-N 0 0 441.536 -0.339 20 30 IBEDRN N#Cc1ccc(N2CCC(NC(=O)C(=O)N3CCN(CC(=O)NC4CC4)CC3)CC2)nc1 ZINC000587647243 1072161739 /nfs/dbraw/zinc/16/17/39/1072161739.db2.gz HXIGZMSHLMQKIN-UHFFFAOYSA-N 0 0 439.520 -0.539 20 30 IBEDRN CC(C)NC(=O)CN1CCN(C(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC1 ZINC000587648370 1072162354 /nfs/dbraw/zinc/16/23/54/1072162354.db2.gz WOPWYWAVQWLHFJ-UHFFFAOYSA-N 0 0 441.536 -0.293 20 30 IBEDRN N#Cc1ccc(N2CCC(NC(=O)C(=O)N3CCN(c4nc(N)ns4)CC3)CC2)nc1 ZINC000587653040 1073362643 /nfs/dbraw/zinc/36/26/43/1073362643.db2.gz BMQXCJRQHPOGRY-UHFFFAOYSA-N 0 0 441.521 -0.179 20 30 IBEDRN COCCN1CCCN(C(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC1=O ZINC000587653792 1072162128 /nfs/dbraw/zinc/16/21/28/1072162128.db2.gz KMFRPLHPIFEGBL-UHFFFAOYSA-N 0 0 428.493 -0.254 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC1 ZINC000587654382 1071315366 /nfs/dbraw/zinc/31/53/66/1071315366.db2.gz NGUODGXSZPUQIX-UHFFFAOYSA-N 0 0 439.520 -0.515 20 30 IBEDRN CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C1 ZINC000587655019 1072162234 /nfs/dbraw/zinc/16/22/34/1072162234.db2.gz XECZYEUFDMONSH-INIZCTEOSA-N 0 0 434.522 -0.422 20 30 IBEDRN CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C1 ZINC000587655020 1072162345 /nfs/dbraw/zinc/16/23/45/1072162345.db2.gz XECZYEUFDMONSH-MRXNPFEDSA-N 0 0 434.522 -0.422 20 30 IBEDRN CS(=O)(=O)N1CCC[C@@H]1CNC(=O)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 ZINC000587655090 1072162113 /nfs/dbraw/zinc/16/21/13/1072162113.db2.gz ZCVYBFURLNQWIH-MRXNPFEDSA-N 0 0 434.522 -0.422 20 30 IBEDRN CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 ZINC000587659252 1072162117 /nfs/dbraw/zinc/16/21/17/1072162117.db2.gz JQPJKERXHIWJEO-INIZCTEOSA-N 0 0 434.522 -0.422 20 30 IBEDRN CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 ZINC000587659270 1072162335 /nfs/dbraw/zinc/16/23/35/1072162335.db2.gz JQPJKERXHIWJEO-MRXNPFEDSA-N 0 0 434.522 -0.422 20 30 IBEDRN Cn1cc(N2CC[C@H](NC(=O)C(=O)NC3CCN(c4ccc(C#N)cn4)CC3)C2=O)cn1 ZINC000587659809 1072161722 /nfs/dbraw/zinc/16/17/22/1072161722.db2.gz ZZPDRKNAJSCQBS-KRWDZBQOSA-N 0 0 436.476 -0.307 20 30 IBEDRN Cn1cc(N2CC[C@@H](NC(=O)C(=O)NC3CCN(c4ccc(C#N)cn4)CC3)C2=O)cn1 ZINC000587659812 1072161746 /nfs/dbraw/zinc/16/17/46/1072161746.db2.gz ZZPDRKNAJSCQBS-QGZVFWFLSA-N 0 0 436.476 -0.307 20 30 IBEDRN Cn1cc(N2CCN(C(=O)C(=O)NC3CCN(c4ccc(C#N)cn4)CC3)CC2=O)cn1 ZINC000587665876 1072161758 /nfs/dbraw/zinc/16/17/58/1072161758.db2.gz RLQQOECACKHFIL-UHFFFAOYSA-N 0 0 436.476 -0.353 20 30 IBEDRN CC[C@H](NC(=O)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1)C(=O)N1CCOCC1 ZINC000587666351 1072161806 /nfs/dbraw/zinc/16/18/06/1072161806.db2.gz UVJMUOVJZLKUPY-KRWDZBQOSA-N 0 0 428.493 -0.208 20 30 IBEDRN CC[C@@H](NC(=O)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1)C(=O)N1CCOCC1 ZINC000587666358 1072161692 /nfs/dbraw/zinc/16/16/92/1072161692.db2.gz UVJMUOVJZLKUPY-QGZVFWFLSA-N 0 0 428.493 -0.208 20 30 IBEDRN C[C@H](NC(=O)C(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1)c1cccc(C#N)c1 ZINC000587715173 1072162081 /nfs/dbraw/zinc/16/20/81/1072162081.db2.gz FQLWDUYRSKJKKM-INIZCTEOSA-N 0 0 448.549 -0.628 20 30 IBEDRN C[C@@H](NC(=O)C(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1)c1cccc(C#N)c1 ZINC000587715174 1072162153 /nfs/dbraw/zinc/16/21/53/1072162153.db2.gz FQLWDUYRSKJKKM-MRXNPFEDSA-N 0 0 448.549 -0.628 20 30 IBEDRN C[C@H](NC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1)c1cccc(C#N)c1 ZINC000587739696 1072162203 /nfs/dbraw/zinc/16/22/03/1072162203.db2.gz DROPFWBNSKIUMJ-HNNXBMFYSA-N 0 0 427.461 -0.735 20 30 IBEDRN C[C@@H](NC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1)c1cccc(C#N)c1 ZINC000587739713 1072162221 /nfs/dbraw/zinc/16/22/21/1072162221.db2.gz DROPFWBNSKIUMJ-OAHLLOKOSA-N 0 0 427.461 -0.735 20 30 IBEDRN C[C@@H](NC(=O)C(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1)c1cccc(C#N)c1 ZINC000587741592 1072162195 /nfs/dbraw/zinc/16/21/95/1072162195.db2.gz VLVKYLQTBJFRAD-CYBMUJFWSA-N 0 0 425.449 -0.776 20 30 IBEDRN C[C@H](NC(=O)C(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1)c1cccc(C#N)c1 ZINC000587741593 1072162139 /nfs/dbraw/zinc/16/21/39/1072162139.db2.gz VLVKYLQTBJFRAD-ZDUSSCGKSA-N 0 0 425.449 -0.776 20 30 IBEDRN CCC(CC)(NC(=O)C1CN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C1)C(N)=O ZINC000588064507 1072166916 /nfs/dbraw/zinc/16/69/16/1072166916.db2.gz BWENFQIFOWZOIJ-CYBMUJFWSA-N 0 0 449.533 -0.156 20 30 IBEDRN CCC(CC)(NC(=O)C1CN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C1)C(N)=O ZINC000588064508 1072167065 /nfs/dbraw/zinc/16/70/65/1072167065.db2.gz BWENFQIFOWZOIJ-ZDUSSCGKSA-N 0 0 449.533 -0.156 20 30 IBEDRN CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NCC(=O)NCC#N)c1 ZINC000588077015 1072167045 /nfs/dbraw/zinc/16/70/45/1072167045.db2.gz SMQMWHQTZBHPCW-UHFFFAOYSA-N 0 0 437.522 -0.077 20 30 IBEDRN N#CCNC(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000588077016 1072167025 /nfs/dbraw/zinc/16/70/25/1072167025.db2.gz TXIQYTPYMPBSIZ-RNCFNFMXSA-N 0 0 435.289 -0.127 20 30 IBEDRN N#CCNC(=O)CNC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000588077017 1072167046 /nfs/dbraw/zinc/16/70/46/1072167046.db2.gz TXIQYTPYMPBSIZ-ZANVPECISA-N 0 0 435.289 -0.127 20 30 IBEDRN N#CCN1CCC(NC(=O)C(=O)NCCN2CCN(C(=O)C3CCCCC3)CC2)CC1 ZINC000588119819 1072168743 /nfs/dbraw/zinc/16/87/43/1072168743.db2.gz VYEQVOGRZLJXJI-UHFFFAOYSA-N 0 0 432.569 -0.069 20 30 IBEDRN N#CCN1CCC(NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)CC1 ZINC000588122853 1072168720 /nfs/dbraw/zinc/16/87/20/1072168720.db2.gz HJYYYDONIVIDNK-UHFFFAOYSA-N 0 0 442.524 -0.934 20 30 IBEDRN N#CCN1CCC(NC(=O)C(=O)N2CCN(Cc3nc(N)c4ccccc4n3)CC2)CC1 ZINC000588123589 1073362617 /nfs/dbraw/zinc/36/26/17/1073362617.db2.gz CFPNNYITCJYZBT-UHFFFAOYSA-N 0 0 436.520 -0.040 20 30 IBEDRN C[C@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)C(=O)NC3CCN(CC#N)CC3)CC2)C1 ZINC000588123823 1072168735 /nfs/dbraw/zinc/16/87/35/1072168735.db2.gz LNFGJRZTKSZWPC-HKUYNNGSSA-N 0 0 432.569 -0.070 20 30 IBEDRN C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)C(=O)NC3CCN(CC#N)CC3)CC2)C1 ZINC000588123824 1072168797 /nfs/dbraw/zinc/16/87/97/1072168797.db2.gz LNFGJRZTKSZWPC-IEBWSBKVSA-N 0 0 432.569 -0.070 20 30 IBEDRN C[C@@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)C(=O)NC3CCN(CC#N)CC3)CC2)C1 ZINC000588123825 1071318896 /nfs/dbraw/zinc/31/88/96/1071318896.db2.gz LNFGJRZTKSZWPC-MJGOQNOKSA-N 0 0 432.569 -0.070 20 30 IBEDRN C[C@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)C(=O)NC3CCN(CC#N)CC3)CC2)C1 ZINC000588123826 1072168791 /nfs/dbraw/zinc/16/87/91/1072168791.db2.gz LNFGJRZTKSZWPC-PKOBYXMFSA-N 0 0 432.569 -0.070 20 30 IBEDRN CCCN(CCC)S(=O)(=O)N1CCN(C(=O)C(=O)NC2CCN(CC#N)CC2)CC1 ZINC000588123964 1072168782 /nfs/dbraw/zinc/16/87/82/1072168782.db2.gz QDSMOKZUZONGBJ-UHFFFAOYSA-N 0 0 442.586 -0.398 20 30 IBEDRN CC1CCC(NC(=O)CN2CCN(C(=O)C(=O)NC3CCN(CC#N)CC3)CC2)CC1 ZINC000588124735 1071318685 /nfs/dbraw/zinc/31/86/85/1071318685.db2.gz IRNRKIWIXYVXKM-UHFFFAOYSA-N 0 0 432.569 -0.070 20 30 IBEDRN N#CCN1CCC(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CC1 ZINC000588124893 1072168762 /nfs/dbraw/zinc/16/87/62/1072168762.db2.gz NUZVASSJTLLWJS-UHFFFAOYSA-N 0 0 437.497 -0.237 20 30 IBEDRN N#CCN1CCC(NC(=O)C(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)CC1 ZINC000588125483 1072168687 /nfs/dbraw/zinc/16/86/87/1072168687.db2.gz CPJWCYUWTAXZFX-UHFFFAOYSA-N 0 0 433.534 -0.235 20 30 IBEDRN N#CCN1CCC(NC(=O)C(=O)N2CC(S(=O)(=O)N3CCc4ccccc43)C2)CC1 ZINC000588126061 1072168694 /nfs/dbraw/zinc/16/86/94/1072168694.db2.gz ZCWGOGBWECXLGO-UHFFFAOYSA-N 0 0 431.518 -0.306 20 30 IBEDRN N#CCN1CCC(NC(=O)C(=O)N2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)CC1 ZINC000588126616 1072168698 /nfs/dbraw/zinc/16/86/98/1072168698.db2.gz NMGOWJQEIWJLPI-KRWDZBQOSA-N 0 0 425.555 -0.056 20 30 IBEDRN N#CCN1CCC(NC(=O)C(=O)N2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)CC1 ZINC000588126619 1072168754 /nfs/dbraw/zinc/16/87/54/1072168754.db2.gz NMGOWJQEIWJLPI-QGZVFWFLSA-N 0 0 425.555 -0.056 20 30 IBEDRN COc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)NC3CCN(CC#N)CC3)CC2)cc1 ZINC000588127054 1072167612 /nfs/dbraw/zinc/16/76/12/1072167612.db2.gz ZNGJJYGNMTWXRL-UHFFFAOYSA-N 0 0 449.533 -0.368 20 30 IBEDRN C[C@@H]1C[C@H](C)CN(C(=O)CN2CCN(C(=O)C(=O)NC3CCN(CC#N)CC3)CC2)C1 ZINC000588127527 1072169275 /nfs/dbraw/zinc/16/92/75/1072169275.db2.gz KJRIYUQYPDDMEM-HDICACEKSA-N 0 0 432.569 -0.261 20 30 IBEDRN C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)C(=O)NC3CCN(CC#N)CC3)CC2)C1 ZINC000588127528 1072169284 /nfs/dbraw/zinc/16/92/84/1072169284.db2.gz KJRIYUQYPDDMEM-QZTJIDSGSA-N 0 0 432.569 -0.261 20 30 IBEDRN C[C@H]1C[C@H](C)CN(C(=O)CN2CCN(C(=O)C(=O)NC3CCN(CC#N)CC3)CC2)C1 ZINC000588127529 1072169327 /nfs/dbraw/zinc/16/93/27/1072169327.db2.gz KJRIYUQYPDDMEM-ROUUACIJSA-N 0 0 432.569 -0.261 20 30 IBEDRN N#CCN1CCC(NC(=O)C(=O)N2CCN(CCNC(=O)c3ccccc3F)CC2)CC1 ZINC000588128017 1072169345 /nfs/dbraw/zinc/16/93/45/1072169345.db2.gz WXEOEOCJOJTARI-UHFFFAOYSA-N 0 0 444.511 -0.196 20 30 IBEDRN N#CCN1CCC(NC(=O)C(=O)N2CCN(C(=O)COc3ccc(F)cc3)CC2)CC1 ZINC000588128066 1072169377 /nfs/dbraw/zinc/16/93/77/1072169377.db2.gz YIDPQKBTUPLWEP-UHFFFAOYSA-N 0 0 431.468 -0.021 20 30 IBEDRN N#CCN1CCC(NC(=O)C(=O)N2CCN(CC(=O)NCc3ccccc3)CC2)CC1 ZINC000588128718 1072169406 /nfs/dbraw/zinc/16/94/06/1072169406.db2.gz HTOBIJLOCWGPKF-UHFFFAOYSA-N 0 0 426.521 -0.449 20 30 IBEDRN Cc1nc(S(=O)(=O)N2CCN(C(=O)C(=O)NC3CCN(CC#N)CC3)CC2)cs1 ZINC000588128789 1072169395 /nfs/dbraw/zinc/16/93/95/1072169395.db2.gz KGCCADNHUCYRTR-UHFFFAOYSA-N 0 0 440.551 -0.611 20 30 IBEDRN N#CCN1CCC(NC(=O)C(=O)N2CCN(CC(=O)N3CCc4ccccc43)CC2)CC1 ZINC000588128938 1072169330 /nfs/dbraw/zinc/16/93/30/1072169330.db2.gz TXLLOENSVCYJKV-UHFFFAOYSA-N 0 0 438.532 -0.176 20 30 IBEDRN CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NCc1ccc(N(C)S(C)(=O)=O)cc1 ZINC000588185944 1073356968 /nfs/dbraw/zinc/35/69/68/1073356968.db2.gz XPSZRWHZIGXYCY-UHFFFAOYSA-N 0 0 447.521 -0.033 20 30 IBEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCNC(=O)c2cnccn2)cc1 ZINC000588328883 1072178053 /nfs/dbraw/zinc/17/80/53/1072178053.db2.gz LHCRGVAEGKTTSH-UHFFFAOYSA-N 0 0 446.489 -0.232 20 30 IBEDRN Cc1cc(N2CC[C@H](NC(=O)C(=O)N3CCN(c4cc(C#N)ccn4)CC3)C2=O)n(C)n1 ZINC000588773608 1072182511 /nfs/dbraw/zinc/18/25/11/1072182511.db2.gz JKWYGXARPZZNBH-INIZCTEOSA-N 0 0 436.476 -0.435 20 30 IBEDRN Cc1cc(N2CC[C@@H](NC(=O)C(=O)N3CCN(c4cc(C#N)ccn4)CC3)C2=O)n(C)n1 ZINC000588773612 1072182465 /nfs/dbraw/zinc/18/24/65/1072182465.db2.gz JKWYGXARPZZNBH-MRXNPFEDSA-N 0 0 436.476 -0.435 20 30 IBEDRN CC[C@H](NC(=O)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1)C(=O)N1CCOCC1 ZINC000588774168 1072181850 /nfs/dbraw/zinc/18/18/50/1072181850.db2.gz BTWJVNOHWWMJJL-HNNXBMFYSA-N 0 0 444.492 -0.174 20 30 IBEDRN CC[C@@H](NC(=O)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1)C(=O)N1CCOCC1 ZINC000588774172 1072181811 /nfs/dbraw/zinc/18/18/11/1072181811.db2.gz BTWJVNOHWWMJJL-OAHLLOKOSA-N 0 0 444.492 -0.174 20 30 IBEDRN CC[C@H](NC(=O)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)C(=O)N1CCOCC1 ZINC000588774238 1072181910 /nfs/dbraw/zinc/18/19/10/1072181910.db2.gz KQXBLYFJJPAQKQ-IBGZPJMESA-N 0 0 427.505 -0.044 20 30 IBEDRN CC[C@@H](NC(=O)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)C(=O)N1CCOCC1 ZINC000588774239 1072181918 /nfs/dbraw/zinc/18/19/18/1072181918.db2.gz KQXBLYFJJPAQKQ-LJQANCHMSA-N 0 0 427.505 -0.044 20 30 IBEDRN COCCO[C@@H]1COCC[C@H]1NC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000588774243 1072181837 /nfs/dbraw/zinc/18/18/37/1072181837.db2.gz LGAXWQJWSRGRQP-CEXWTWQISA-N 0 0 444.488 -0.288 20 30 IBEDRN COCCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000588774245 1072181923 /nfs/dbraw/zinc/18/19/23/1072181923.db2.gz LGAXWQJWSRGRQP-GBESFXJTSA-N 0 0 444.488 -0.288 20 30 IBEDRN COCCO[C@@H]1COCC[C@H]1NC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000588774247 1072181828 /nfs/dbraw/zinc/18/18/28/1072181828.db2.gz LGAXWQJWSRGRQP-GUDVDZBRSA-N 0 0 444.488 -0.288 20 30 IBEDRN COCCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000588774248 1072181876 /nfs/dbraw/zinc/18/18/76/1072181876.db2.gz LGAXWQJWSRGRQP-IPMKNSEASA-N 0 0 444.488 -0.288 20 30 IBEDRN CC[C@@H](NC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C(=O)N1CCOCC1 ZINC000588774254 1072181843 /nfs/dbraw/zinc/18/18/43/1072181843.db2.gz MUAKUTPQNCCYLF-MSOLQXFVSA-N 0 0 441.488 -0.471 20 30 IBEDRN CC[C@@H](NC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C(=O)N1CCOCC1 ZINC000588774256 1072181898 /nfs/dbraw/zinc/18/18/98/1072181898.db2.gz MUAKUTPQNCCYLF-QZTJIDSGSA-N 0 0 441.488 -0.471 20 30 IBEDRN CC[C@H](NC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C(=O)N1CCOCC1 ZINC000588774257 1072181821 /nfs/dbraw/zinc/18/18/21/1072181821.db2.gz MUAKUTPQNCCYLF-ROUUACIJSA-N 0 0 441.488 -0.471 20 30 IBEDRN CC[C@H](NC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C(=O)N1CCOCC1 ZINC000588774259 1072181881 /nfs/dbraw/zinc/18/18/81/1072181881.db2.gz MUAKUTPQNCCYLF-ZWKOTPCHSA-N 0 0 441.488 -0.471 20 30 IBEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)N2CCC(C(=O)N3CCCC3)CC2)c1=O ZINC000588784150 1072182481 /nfs/dbraw/zinc/18/24/81/1072182481.db2.gz BKVCPXGAUCDKOQ-UHFFFAOYSA-N 0 0 431.493 -0.595 20 30 IBEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)N2CCC(C(=O)N(C)C(C)C)CC2)c1=O ZINC000588784306 1072182460 /nfs/dbraw/zinc/18/24/60/1072182460.db2.gz JTNYDZSZNXREMC-UHFFFAOYSA-N 0 0 433.509 -0.351 20 30 IBEDRN CO[C@@H]1COC[C@H]1n1cc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)nn1 ZINC000588821135 1072185653 /nfs/dbraw/zinc/18/56/53/1072185653.db2.gz YXTONQKYXAZMCB-IAGOWNOFSA-N 0 0 446.489 -0.117 20 30 IBEDRN C[C@H](c1ccccc1)[C@@H](CNC(=O)Cn1cnc(C#N)n1)NC(=O)Cn1cnc(C#N)n1 ZINC000588824961 1072185505 /nfs/dbraw/zinc/18/55/05/1072185505.db2.gz KAWAYIPROYKMED-GDBMZVCRSA-N 0 0 432.448 -0.282 20 30 IBEDRN C[C@@H](c1ccccc1)[C@@H](CNC(=O)Cn1cnc(C#N)n1)NC(=O)Cn1cnc(C#N)n1 ZINC000588824964 1072185640 /nfs/dbraw/zinc/18/56/40/1072185640.db2.gz KAWAYIPROYKMED-GOEBONIOSA-N 0 0 432.448 -0.282 20 30 IBEDRN C[C@@H](c1ccccc1)[C@H](CNC(=O)Cn1cnc(C#N)n1)NC(=O)Cn1cnc(C#N)n1 ZINC000588824965 1072185458 /nfs/dbraw/zinc/18/54/58/1072185458.db2.gz KAWAYIPROYKMED-HOCLYGCPSA-N 0 0 432.448 -0.282 20 30 IBEDRN C[C@H](c1ccccc1)[C@H](CNC(=O)Cn1cnc(C#N)n1)NC(=O)Cn1cnc(C#N)n1 ZINC000588824967 1072185675 /nfs/dbraw/zinc/18/56/75/1072185675.db2.gz KAWAYIPROYKMED-ZBFHGGJFSA-N 0 0 432.448 -0.282 20 30 IBEDRN CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000588865157 1072186948 /nfs/dbraw/zinc/18/69/48/1072186948.db2.gz WJZFMKZAVLLKOE-DLBZAZTESA-N 0 0 447.517 -0.290 20 30 IBEDRN CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000588865158 1072186930 /nfs/dbraw/zinc/18/69/30/1072186930.db2.gz WJZFMKZAVLLKOE-IAGOWNOFSA-N 0 0 447.517 -0.290 20 30 IBEDRN CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000588865159 1072186705 /nfs/dbraw/zinc/18/67/05/1072186705.db2.gz WJZFMKZAVLLKOE-IRXDYDNUSA-N 0 0 447.517 -0.290 20 30 IBEDRN CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000588865160 1072186896 /nfs/dbraw/zinc/18/68/96/1072186896.db2.gz WJZFMKZAVLLKOE-SJORKVTESA-N 0 0 447.517 -0.290 20 30 IBEDRN CS(=O)(=O)N1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000588866361 1072187474 /nfs/dbraw/zinc/18/74/74/1072187474.db2.gz PXALQKKJPWZCBZ-IAGOWNOFSA-N 0 0 447.517 -0.290 20 30 IBEDRN CS(=O)(=O)N1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000588866362 1072187374 /nfs/dbraw/zinc/18/73/74/1072187374.db2.gz PXALQKKJPWZCBZ-SJORKVTESA-N 0 0 447.517 -0.290 20 30 IBEDRN CS(=O)(=O)N1CC(CNC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000588866436 1072187397 /nfs/dbraw/zinc/18/73/97/1072187397.db2.gz XFKUGTZRFPCDIC-INIZCTEOSA-N 0 0 433.490 -0.823 20 30 IBEDRN CS(=O)(=O)N1CC(CNC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000588866437 1072187461 /nfs/dbraw/zinc/18/74/61/1072187461.db2.gz XFKUGTZRFPCDIC-MRXNPFEDSA-N 0 0 433.490 -0.823 20 30 IBEDRN CN(C[C@@H](O)CN1CCOCC1)C(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000588866518 1072187312 /nfs/dbraw/zinc/18/73/12/1072187312.db2.gz YYXUTQLTKLMGRD-MOPGFXCFSA-N 0 0 443.504 -0.679 20 30 IBEDRN CN(C[C@H](O)CN1CCOCC1)C(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000588866524 1072187327 /nfs/dbraw/zinc/18/73/27/1072187327.db2.gz YYXUTQLTKLMGRD-OALUTQOASA-N 0 0 443.504 -0.679 20 30 IBEDRN CN(C[C@H](O)CN1CCOCC1)C(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000588866527 1072187385 /nfs/dbraw/zinc/18/73/85/1072187385.db2.gz YYXUTQLTKLMGRD-RBUKOAKNSA-N 0 0 443.504 -0.679 20 30 IBEDRN CN(C[C@@H](O)CN1CCOCC1)C(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000588866529 1072187483 /nfs/dbraw/zinc/18/74/83/1072187483.db2.gz YYXUTQLTKLMGRD-RTBURBONSA-N 0 0 443.504 -0.679 20 30 IBEDRN CCN(CCC#N)S(=O)(=O)NCCN1CCN(S(=O)(=O)N(CC)CCC#N)CC1 ZINC000588899533 1072188071 /nfs/dbraw/zinc/18/80/71/1072188071.db2.gz NJBWIIJBVUTVQN-UHFFFAOYSA-N 0 0 449.603 -0.846 20 30 IBEDRN N#Cc1ccc(S(=O)(=O)CCN2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)nc1 ZINC000588964229 1072188751 /nfs/dbraw/zinc/18/87/51/1072188751.db2.gz ATUGIKRTIBFNFW-INIZCTEOSA-N 0 0 428.536 -0.147 20 30 IBEDRN N#Cc1ccc(S(=O)(=O)CCN2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)nc1 ZINC000588964230 1072188644 /nfs/dbraw/zinc/18/86/44/1072188644.db2.gz ATUGIKRTIBFNFW-MRXNPFEDSA-N 0 0 428.536 -0.147 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2nc(C)c(C(=O)OCC)s2)CC1 ZINC000588997076 1071284640 /nfs/dbraw/zinc/28/46/40/1071284640.db2.gz OSZSHANUXCYEQM-UHFFFAOYSA-N 0 0 437.522 -0.309 20 30 IBEDRN C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)C(=O)N1c1cnn(C)c1 ZINC000589034874 1072189288 /nfs/dbraw/zinc/18/92/88/1072189288.db2.gz XJYNPUQAQXVSCD-PBHICJAKSA-N 0 0 436.476 -0.354 20 30 IBEDRN C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)C(=O)N1c1cnn(C)c1 ZINC000589034875 1072189256 /nfs/dbraw/zinc/18/92/56/1072189256.db2.gz XJYNPUQAQXVSCD-RHSMWYFYSA-N 0 0 436.476 -0.354 20 30 IBEDRN C[C@H]1C[C@@H](NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)C(=O)N1c1cnn(C)c1 ZINC000589034876 1072189327 /nfs/dbraw/zinc/18/93/27/1072189327.db2.gz XJYNPUQAQXVSCD-WMLDXEAASA-N 0 0 436.476 -0.354 20 30 IBEDRN C[C@H]1C[C@H](NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)C(=O)N1c1cnn(C)c1 ZINC000589034877 1072189191 /nfs/dbraw/zinc/18/91/91/1072189191.db2.gz XJYNPUQAQXVSCD-YOEHRIQHSA-N 0 0 436.476 -0.354 20 30 IBEDRN C[C@@H]1C[C@H](NC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)C(=O)N1c1cnn(C)c1 ZINC000589035467 1073360499 /nfs/dbraw/zinc/36/04/99/1073360499.db2.gz RTOPQLAIVKMEFF-ABAIWWIYSA-N 0 0 427.469 -0.702 20 30 IBEDRN C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)C(=O)N1c1cnn(C)c1 ZINC000589035475 1073360468 /nfs/dbraw/zinc/36/04/68/1073360468.db2.gz RTOPQLAIVKMEFF-IAQYHMDHSA-N 0 0 427.469 -0.702 20 30 IBEDRN C[C@H]1C[C@H](NC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)C(=O)N1c1cnn(C)c1 ZINC000589035477 1073361401 /nfs/dbraw/zinc/36/14/01/1073361401.db2.gz RTOPQLAIVKMEFF-NHYWBVRUSA-N 0 0 427.469 -0.702 20 30 IBEDRN C[C@H]1C[C@@H](NC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)C(=O)N1c1cnn(C)c1 ZINC000589035478 1073361346 /nfs/dbraw/zinc/36/13/46/1073361346.db2.gz RTOPQLAIVKMEFF-XHDPSFHLSA-N 0 0 427.469 -0.702 20 30 IBEDRN C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)C(=O)N1c1cnn(C)c1 ZINC000589035505 1072189244 /nfs/dbraw/zinc/18/92/44/1072189244.db2.gz VQWFDFVOEVYUKN-PBHICJAKSA-N 0 0 436.476 -0.354 20 30 IBEDRN C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)C(=O)N1c1cnn(C)c1 ZINC000589035507 1072189199 /nfs/dbraw/zinc/18/91/99/1072189199.db2.gz VQWFDFVOEVYUKN-RHSMWYFYSA-N 0 0 436.476 -0.354 20 30 IBEDRN C[C@H]1C[C@@H](NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)C(=O)N1c1cnn(C)c1 ZINC000589035508 1072189334 /nfs/dbraw/zinc/18/93/34/1072189334.db2.gz VQWFDFVOEVYUKN-WMLDXEAASA-N 0 0 436.476 -0.354 20 30 IBEDRN C[C@H]1C[C@H](NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)C(=O)N1c1cnn(C)c1 ZINC000589035510 1072189357 /nfs/dbraw/zinc/18/93/57/1072189357.db2.gz VQWFDFVOEVYUKN-YOEHRIQHSA-N 0 0 436.476 -0.354 20 30 IBEDRN C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)C(=O)N1c1cnn(C)c1 ZINC000589037927 1072189881 /nfs/dbraw/zinc/18/98/81/1072189881.db2.gz FWOIORHYJCGZTK-PBHICJAKSA-N 0 0 436.476 -0.354 20 30 IBEDRN C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)C(=O)N1c1cnn(C)c1 ZINC000589037928 1072189795 /nfs/dbraw/zinc/18/97/95/1072189795.db2.gz FWOIORHYJCGZTK-RHSMWYFYSA-N 0 0 436.476 -0.354 20 30 IBEDRN C[C@H]1C[C@@H](NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)C(=O)N1c1cnn(C)c1 ZINC000589037929 1072189853 /nfs/dbraw/zinc/18/98/53/1072189853.db2.gz FWOIORHYJCGZTK-WMLDXEAASA-N 0 0 436.476 -0.354 20 30 IBEDRN C[C@H]1C[C@H](NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)C(=O)N1c1cnn(C)c1 ZINC000589037930 1072189938 /nfs/dbraw/zinc/18/99/38/1072189938.db2.gz FWOIORHYJCGZTK-YOEHRIQHSA-N 0 0 436.476 -0.354 20 30 IBEDRN C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)C(=O)N1c1cnn(C)c1 ZINC000589038836 1072189891 /nfs/dbraw/zinc/18/98/91/1072189891.db2.gz XQGFGGHXPFHWCY-PBHICJAKSA-N 0 0 436.476 -0.354 20 30 IBEDRN C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)C(=O)N1c1cnn(C)c1 ZINC000589038837 1072189914 /nfs/dbraw/zinc/18/99/14/1072189914.db2.gz XQGFGGHXPFHWCY-RHSMWYFYSA-N 0 0 436.476 -0.354 20 30 IBEDRN C[C@H]1C[C@@H](NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)C(=O)N1c1cnn(C)c1 ZINC000589038838 1072189944 /nfs/dbraw/zinc/18/99/44/1072189944.db2.gz XQGFGGHXPFHWCY-WMLDXEAASA-N 0 0 436.476 -0.354 20 30 IBEDRN C[C@H]1C[C@H](NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)C(=O)N1c1cnn(C)c1 ZINC000589038839 1072189906 /nfs/dbraw/zinc/18/99/06/1072189906.db2.gz XQGFGGHXPFHWCY-YOEHRIQHSA-N 0 0 436.476 -0.354 20 30 IBEDRN COC(=O)c1ccsc1N1CC[C@H](NC(=O)C(=O)NC2CCN(CC#N)CC2)C1=O ZINC000589052954 1072190487 /nfs/dbraw/zinc/19/04/87/1072190487.db2.gz LGLVMTGNHMHXEJ-AWEZNQCLSA-N 0 0 433.490 -0.140 20 30 IBEDRN COC(=O)c1ccsc1N1CC[C@@H](NC(=O)C(=O)NC2CCN(CC#N)CC2)C1=O ZINC000589052955 1072190499 /nfs/dbraw/zinc/19/04/99/1072190499.db2.gz LGLVMTGNHMHXEJ-CQSZACIVSA-N 0 0 433.490 -0.140 20 30 IBEDRN COCC(=O)N1CCN(c2cc(C)nc(N3CCN(C(=O)COC)CC3)c2C#N)CC1 ZINC000589108187 1072192305 /nfs/dbraw/zinc/19/23/05/1072192305.db2.gz PTCXKVKKOPLFKB-UHFFFAOYSA-N 0 0 430.509 -0.148 20 30 IBEDRN Cc1cc(N2CCN(S(C)(=O)=O)CC2)c(C#N)c(N2CCN(S(C)(=O)=O)CC2)n1 ZINC000589108582 1072192148 /nfs/dbraw/zinc/19/21/48/1072192148.db2.gz GDEBOJLIZURMLA-UHFFFAOYSA-N 0 0 442.567 -0.575 20 30 IBEDRN Cc1cc(N2CCN(C(=O)[C@@H](C)O)CC2)c(C#N)c(N2CCN(C(=O)[C@H](C)O)CC2)n1 ZINC000589113051 1072192413 /nfs/dbraw/zinc/19/24/13/1072192413.db2.gz QWZKSHZDXNSLBZ-CVEARBPZSA-N 0 0 430.509 -0.680 20 30 IBEDRN Cc1cc(N2CCN(C(=O)[C@H](C)O)CC2)c(C#N)c(N2CCN(C(=O)[C@H](C)O)CC2)n1 ZINC000589113056 1072192195 /nfs/dbraw/zinc/19/21/95/1072192195.db2.gz QWZKSHZDXNSLBZ-HOTGVXAUSA-N 0 0 430.509 -0.680 20 30 IBEDRN Cc1cc(N2CCN(C(=O)[C@@H](C)O)CC2)c(C#N)c(N2CCN(C(=O)[C@@H](C)O)CC2)n1 ZINC000589113057 1072192172 /nfs/dbraw/zinc/19/21/72/1072192172.db2.gz QWZKSHZDXNSLBZ-HZPDHXFCSA-N 0 0 430.509 -0.680 20 30 IBEDRN Cc1cc(N2CCN(C(=O)[C@H](C)O)CC2)c(C#N)c(N2CCN(C(=O)[C@@H](C)O)CC2)n1 ZINC000589113058 1072192930 /nfs/dbraw/zinc/19/29/30/1072192930.db2.gz QWZKSHZDXNSLBZ-JKSUJKDBSA-N 0 0 430.509 -0.680 20 30 IBEDRN CC(=O)NC[C@@H]1CN(c2cc(C)nc(N3CCO[C@@H](CNC(C)=O)C3)c2C#N)CCO1 ZINC000589113752 1072192255 /nfs/dbraw/zinc/19/22/55/1072192255.db2.gz OFPADFZKJJHPBY-MSOLQXFVSA-N 0 0 430.509 -0.056 20 30 IBEDRN CC(=O)NC[C@@H]1CN(c2cc(C)nc(N3CCO[C@H](CNC(C)=O)C3)c2C#N)CCO1 ZINC000589113760 1072192278 /nfs/dbraw/zinc/19/22/78/1072192278.db2.gz OFPADFZKJJHPBY-QZTJIDSGSA-N 0 0 430.509 -0.056 20 30 IBEDRN CC(=O)NC[C@H]1CN(c2cc(C)nc(N3CCO[C@@H](CNC(C)=O)C3)c2C#N)CCO1 ZINC000589113766 1072192452 /nfs/dbraw/zinc/19/24/52/1072192452.db2.gz OFPADFZKJJHPBY-ROUUACIJSA-N 0 0 430.509 -0.056 20 30 IBEDRN CC(=O)NC[C@@H]1CN(c2nc(C)cc(N3CCO[C@@H](CNC(C)=O)C3)c2C#N)CCO1 ZINC000589113773 1072192942 /nfs/dbraw/zinc/19/29/42/1072192942.db2.gz OFPADFZKJJHPBY-ZWKOTPCHSA-N 0 0 430.509 -0.056 20 30 IBEDRN CS(=O)(=O)N1CC(CNC(=O)C(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)C1 ZINC000589135871 1072193056 /nfs/dbraw/zinc/19/30/56/1072193056.db2.gz RVDOQDZGCDIZLA-UHFFFAOYSA-N 0 0 439.925 -0.132 20 30 IBEDRN CS(=O)(=O)N1CC(CNC(=O)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)C1 ZINC000589135914 1072192880 /nfs/dbraw/zinc/19/28/80/1072192880.db2.gz SQSKETAIFCIYFG-UHFFFAOYSA-N 0 0 436.494 -0.920 20 30 IBEDRN CS(=O)(=O)N1CC(CNC(=O)C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000589135936 1072193042 /nfs/dbraw/zinc/19/30/42/1072193042.db2.gz UZSXJWXASIRKLN-UHFFFAOYSA-N 0 0 433.534 -0.400 20 30 IBEDRN CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1CC(N)=O ZINC000589157051 1072194294 /nfs/dbraw/zinc/19/42/94/1072194294.db2.gz GMJOQWWOGWJGNV-UHFFFAOYSA-N 0 0 447.538 -0.083 20 30 IBEDRN Cn1nccc1C=c1sc(=C(C#N)C(=O)c2ccc3c(c2)OCO3)n(CC(N)=O)c1=O ZINC000589157159 1072194210 /nfs/dbraw/zinc/19/42/10/1072194210.db2.gz NOKCQSKYVMYKLW-UHFFFAOYSA-N 0 0 437.437 -0.757 20 30 IBEDRN CS(=O)(=O)c1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CC(N)=O)c2=O)cc1 ZINC000589157266 1072193616 /nfs/dbraw/zinc/19/36/16/1072193616.db2.gz UAHJCWVTJGSHIO-UHFFFAOYSA-N 0 0 445.522 -0.329 20 30 IBEDRN CC(C)CC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1CC(N)=O ZINC000589157280 1072193469 /nfs/dbraw/zinc/19/34/69/1072193469.db2.gz VGNRCNMDFHTRNG-UHFFFAOYSA-N 0 0 447.538 -0.083 20 30 IBEDRN CC(C)C(=O)C(C#N)=c1sc(=Cc2ccc(-n3cncn3)c(F)c2)c(=O)n1CC(N)=O ZINC000589157493 1072193460 /nfs/dbraw/zinc/19/34/60/1072193460.db2.gz XOZIWWGOQNXHMC-UHFFFAOYSA-N 0 0 440.460 -0.157 20 30 IBEDRN Cn1nccc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(CCNS(C)(=O)=O)c1=O ZINC000589159452 1072194258 /nfs/dbraw/zinc/19/42/58/1072194258.db2.gz AYVPWKFGUICTHS-UHFFFAOYSA-N 0 0 435.531 -0.935 20 30 IBEDRN CC(C)CC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CCNS(C)(=O)=O ZINC000589159555 1072194106 /nfs/dbraw/zinc/19/41/06/1072194106.db2.gz FWSCEWJEFUPHJL-UHFFFAOYSA-N 0 0 437.547 -0.689 20 30 IBEDRN CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CCNS(C)(=O)=O ZINC000589159927 1072194200 /nfs/dbraw/zinc/19/42/00/1072194200.db2.gz MOLKRJWPIQOTLZ-GFCCVEGCSA-N 0 0 437.547 -0.689 20 30 IBEDRN CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CCNS(C)(=O)=O ZINC000589159929 1072194266 /nfs/dbraw/zinc/19/42/66/1072194266.db2.gz MOLKRJWPIQOTLZ-LBPRGKRZSA-N 0 0 437.547 -0.689 20 30 IBEDRN CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1CCNS(C)(=O)=O ZINC000589160198 1072194166 /nfs/dbraw/zinc/19/41/66/1072194166.db2.gz AOFJKTVMGAMOCX-CYBMUJFWSA-N 0 0 434.543 -0.028 20 30 IBEDRN CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1CCNS(C)(=O)=O ZINC000589160200 1072194305 /nfs/dbraw/zinc/19/43/05/1072194305.db2.gz AOFJKTVMGAMOCX-ZDUSSCGKSA-N 0 0 434.543 -0.028 20 30 IBEDRN Cn1nccc1C=c1sc(=C(C#N)C(=O)C(C)(C)C)n(CCNS(C)(=O)=O)c1=O ZINC000589160307 1072194233 /nfs/dbraw/zinc/19/42/33/1072194233.db2.gz POUQHFMALMPUIC-UHFFFAOYSA-N 0 0 437.547 -0.689 20 30 IBEDRN CC(C)CC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1CCNS(C)(=O)=O ZINC000589160314 1072194239 /nfs/dbraw/zinc/19/42/39/1072194239.db2.gz GRGWNOPYTVELSA-UHFFFAOYSA-N 0 0 434.543 -0.028 20 30 IBEDRN CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1CCNS(C)(=O)=O ZINC000589160557 1072194254 /nfs/dbraw/zinc/19/42/54/1072194254.db2.gz JDRCRPSECXXUAW-UHFFFAOYSA-N 0 0 434.543 -0.028 20 30 IBEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CNS(=O)(=O)c2cccnc2)CC1 ZINC000589255186 1072196541 /nfs/dbraw/zinc/19/65/41/1072196541.db2.gz ZHVYEBZQKVSUPJ-UHFFFAOYSA-N 0 0 449.514 -0.235 20 30 IBEDRN N#Cc1cncc(S(=O)(=O)N(CCCN2CCOCC2)[C@H]2CCS(=O)(=O)C2)c1 ZINC000589273063 1072197258 /nfs/dbraw/zinc/19/72/58/1072197258.db2.gz KSIPTGFBMVJONU-INIZCTEOSA-N 0 0 428.536 -0.147 20 30 IBEDRN N#Cc1cncc(S(=O)(=O)N(CCCN2CCOCC2)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000589273064 1072197320 /nfs/dbraw/zinc/19/73/20/1072197320.db2.gz KSIPTGFBMVJONU-MRXNPFEDSA-N 0 0 428.536 -0.147 20 30 IBEDRN N#Cc1cccc(S(=O)(=O)NCC(=O)NCCCN2CCN(c3ncccn3)CC2)c1 ZINC000589273950 1072197277 /nfs/dbraw/zinc/19/72/77/1072197277.db2.gz AUWLVCNRMSPJJE-UHFFFAOYSA-N 0 0 443.533 -0.045 20 30 IBEDRN Cc1nsc(N2CCN(CC(=O)NC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)c1C#N ZINC000589286673 1072197090 /nfs/dbraw/zinc/19/70/90/1072197090.db2.gz GSECZJGAMVLFJH-GFCCVEGCSA-N 0 0 426.524 -0.542 20 30 IBEDRN Cc1nsc(N2CCN(CC(=O)NC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)c1C#N ZINC000589286675 1072197182 /nfs/dbraw/zinc/19/71/82/1072197182.db2.gz GSECZJGAMVLFJH-LBPRGKRZSA-N 0 0 426.524 -0.542 20 30 IBEDRN Cc1nsc(N2CCN(S(=O)(=O)N3CCN(S(C)(=O)=O)CC3)CC2)c1C#N ZINC000589298692 1072197151 /nfs/dbraw/zinc/19/71/51/1072197151.db2.gz YYYSBNPTIRBDCA-UHFFFAOYSA-N 0 0 434.569 -0.733 20 30 IBEDRN N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCN(S(=O)(=O)c3cccnc3)CC2)cc1 ZINC000589299189 1072197164 /nfs/dbraw/zinc/19/71/64/1072197164.db2.gz MNGOQEALTYDTFK-UHFFFAOYSA-N 0 0 449.514 -0.235 20 30 IBEDRN N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCN(C(=O)c3ccc(=O)[nH]c3)CC2)cc1 ZINC000589374929 1072197232 /nfs/dbraw/zinc/19/72/32/1072197232.db2.gz AMUBDPZPFLWQNJ-UHFFFAOYSA-N 0 0 429.458 -0.078 20 30 IBEDRN CN(C)S(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)CC1 ZINC000589393095 1072197768 /nfs/dbraw/zinc/19/77/68/1072197768.db2.gz ZPUVJLOYAGLSFF-UHFFFAOYSA-N 0 0 432.466 -0.972 20 30 IBEDRN N#Cc1ncn(-c2ccccc2NC(=O)C(=O)NCCN2CCN(c3ncccn3)CC2)n1 ZINC000589393556 1072197874 /nfs/dbraw/zinc/19/78/74/1072197874.db2.gz KLYDZHJOXBWTIF-UHFFFAOYSA-N 0 0 446.475 -0.194 20 30 IBEDRN N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2cc(S(N)(=O)=O)ccc2F)cc1 ZINC000589420857 1072197899 /nfs/dbraw/zinc/19/78/99/1072197899.db2.gz OGTZUHXZGFBAOH-UHFFFAOYSA-N 0 0 426.451 -0.061 20 30 IBEDRN N#Cc1cccc(S(=O)(=O)NCC(=O)NCc2cc(S(N)(=O)=O)ccc2F)c1 ZINC000589420888 1072197796 /nfs/dbraw/zinc/19/77/96/1072197796.db2.gz QOOBUGNCGWENTO-UHFFFAOYSA-N 0 0 426.451 -0.061 20 30 IBEDRN CN(C)S(=O)(=O)N1CCCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CC1 ZINC000589443155 1073309099 /nfs/dbraw/zinc/30/90/99/1073309099.db2.gz WIIJRPPETNPNPZ-UHFFFAOYSA-N 0 0 425.515 -0.211 20 30 IBEDRN N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC(N3CCS(=O)(=O)CC3)CC2)cc1 ZINC000589483748 1072199123 /nfs/dbraw/zinc/19/91/23/1072199123.db2.gz ALHQIFWXCRSGSD-UHFFFAOYSA-N 0 0 440.547 -0.442 20 30 IBEDRN COCc1noc(CN2CCN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)CC2)n1 ZINC000589490137 1072199787 /nfs/dbraw/zinc/19/97/87/1072199787.db2.gz QQGWNEPEWCNOBY-UHFFFAOYSA-N 0 0 434.478 -0.290 20 30 IBEDRN CCC(CC)(NC(=O)C1CN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)C1)C(N)=O ZINC000589523780 1072201339 /nfs/dbraw/zinc/20/13/39/1072201339.db2.gz JGFZBQPBBPENSG-UHFFFAOYSA-N 0 0 435.506 -0.545 20 30 IBEDRN CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000589528066 1072201440 /nfs/dbraw/zinc/20/14/40/1072201440.db2.gz JURAXKGSSMYKAD-CQSZACIVSA-N 0 0 429.524 -0.776 20 30 IBEDRN Cc1nsc(N2CCN(C(=O)NCCN3CCN(S(C)(=O)=O)CC3)CC2)c1C#N ZINC000589608840 1072203807 /nfs/dbraw/zinc/20/38/07/1072203807.db2.gz LRTSJCUHCQDNAR-UHFFFAOYSA-N 0 0 441.583 -0.268 20 30 IBEDRN COc1ccc(F)cc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(CC(=O)N(C)C)c1=O ZINC000589653490 1072203748 /nfs/dbraw/zinc/20/37/48/1072203748.db2.gz LOCJMAKGECENAM-UHFFFAOYSA-N 0 0 444.488 -0.073 20 30 IBEDRN COc1ccc(F)cc1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(CC(N)=O)c1=O ZINC000589653549 1072204376 /nfs/dbraw/zinc/20/43/76/1072204376.db2.gz QLMHWXQREUVOMT-UHFFFAOYSA-N 0 0 430.461 -0.332 20 30 IBEDRN CNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(C)c2)c(=O)n1CCN1CCOCC1 ZINC000589760552 1072204906 /nfs/dbraw/zinc/20/49/06/1072204906.db2.gz PGVPJSRXRPLDAZ-UHFFFAOYSA-N 0 0 442.541 -0.192 20 30 IBEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C)c2=O)cc1C ZINC000589774933 1072204792 /nfs/dbraw/zinc/20/47/92/1072204792.db2.gz XDVNLFQMSPPFHW-UHFFFAOYSA-N 0 0 442.541 -0.285 20 30 IBEDRN Cn1c(=O)c(C#N)c(N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)n(C)c1=O ZINC000589784994 1072205882 /nfs/dbraw/zinc/20/58/82/1072205882.db2.gz GAHHWAPDEFXDPB-UHFFFAOYSA-N 0 0 434.434 -0.625 20 30 IBEDRN Cn1c(=O)c(C#N)c(N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)n(C)c1=O ZINC000589785202 1072205966 /nfs/dbraw/zinc/20/59/66/1072205966.db2.gz RLJBGYNIIIZTAX-UHFFFAOYSA-N 0 0 434.434 -0.625 20 30 IBEDRN Cn1c(N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)c(C#N)c(=O)n(C)c1=O ZINC000589793834 1072204912 /nfs/dbraw/zinc/20/49/12/1072204912.db2.gz GYUKWMLMZKOEDW-UHFFFAOYSA-N 0 0 425.417 -0.255 20 30 IBEDRN Cn1c(N2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)c(C#N)c(=O)n(C)c1=O ZINC000589800576 1072205240 /nfs/dbraw/zinc/20/52/40/1072205240.db2.gz VCKLWHACJWRKNM-UHFFFAOYSA-N 0 0 425.417 -0.255 20 30 IBEDRN COc1ccc(OC)c(S(=O)(=O)N2CCN(c3c(C#N)c(=O)n(C)c(=O)n3C)CC2)c1 ZINC000589801569 1072205289 /nfs/dbraw/zinc/20/52/89/1072205289.db2.gz JLGVNLUYGIQUSQ-UHFFFAOYSA-N 0 0 449.489 -0.516 20 30 IBEDRN Cn1c(N2CCC(C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)c(C#N)c(=O)n(C)c1=O ZINC000589804283 1072205223 /nfs/dbraw/zinc/20/52/23/1072205223.db2.gz XVTNEJZHIPKYJQ-UHFFFAOYSA-N 0 0 446.489 -0.542 20 30 IBEDRN Cn1c(=O)c(C#N)c(N2CCN(S(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)CC2)n(C)c1=O ZINC000589806769 1072205278 /nfs/dbraw/zinc/20/52/78/1072205278.db2.gz SSMAMRUVBDXKLD-UHFFFAOYSA-N 0 0 445.461 -0.952 20 30 IBEDRN Cn1c2ncc(S(=O)(=O)N3CCN(c4cnccc4C#N)CC3)cc2c(=O)[nH]c1=O ZINC000589930411 1072206631 /nfs/dbraw/zinc/20/66/31/1072206631.db2.gz IWIWOWCEXKYXGC-UHFFFAOYSA-N 0 0 427.446 -0.188 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(c3ccccc3S(=O)(=O)NC)CC2)C1=O ZINC000590118448 1072208794 /nfs/dbraw/zinc/20/87/94/1072208794.db2.gz LKRNZNWFAWWPCI-UHFFFAOYSA-N 0 0 449.489 -0.780 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(OC)nc2N2CCN(C(C)=O)CC2)C1=O ZINC000590229982 1072209709 /nfs/dbraw/zinc/20/97/09/1072209709.db2.gz DUHLXSJTVFLAAV-UHFFFAOYSA-N 0 0 444.448 -0.326 20 30 IBEDRN CS(=O)(=O)c1nccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 ZINC000590419165 1072212052 /nfs/dbraw/zinc/21/20/52/1072212052.db2.gz DTDHYFUDYUGIOH-UHFFFAOYSA-N 0 0 435.487 -0.102 20 30 IBEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCCN(S(N)(=O)=O)C3)CC2)cc1 ZINC000590420343 1072212077 /nfs/dbraw/zinc/21/20/77/1072212077.db2.gz LSGZAKMBXMFMKW-HNNXBMFYSA-N 0 0 441.535 -0.693 20 30 IBEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCN(S(N)(=O)=O)C3)CC2)cc1 ZINC000590420345 1072212136 /nfs/dbraw/zinc/21/21/36/1072212136.db2.gz LSGZAKMBXMFMKW-OAHLLOKOSA-N 0 0 441.535 -0.693 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(Cc3nc(N)c4ccccc4n3)CC2)C1=O ZINC000590498755 1072213661 /nfs/dbraw/zinc/21/36/61/1072213661.db2.gz GYIJUUQKZMOKDF-UHFFFAOYSA-N 0 0 437.460 -0.167 20 30 IBEDRN Cc1cc(NCCN2CCCS2(=O)=O)c(C#N)c(NCCN2CCCS2(=O)=O)n1 ZINC000590574855 1073337441 /nfs/dbraw/zinc/33/74/41/1073337441.db2.gz HQBFXXPQORPVFH-UHFFFAOYSA-N 0 0 442.567 0.157 20 30 IBEDRN CCOC(=O)C=c1sc(=Cc2cccc(C#N)c2)c(=O)n1CC(=O)N1CCOCC1 ZINC000590778370 1072219481 /nfs/dbraw/zinc/21/94/81/1072219481.db2.gz BCZDOGRIWDFXRT-UHFFFAOYSA-N 0 0 427.482 -0.187 20 30 IBEDRN C=CCn1c(=O)c(=Cc2csc(C)n2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000590897280 1072221517 /nfs/dbraw/zinc/22/15/17/1072221517.db2.gz JCOVGYFFQOSRTK-UHFFFAOYSA-N 0 0 445.570 -0.188 20 30 IBEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccncc2)c(=O)n1CCN1CCOCC1 ZINC000590927599 1072221062 /nfs/dbraw/zinc/22/10/62/1072221062.db2.gz BEUCHNUMCZBFOO-UHFFFAOYSA-N 0 0 427.530 -0.334 20 30 IBEDRN CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccncc2)c(=O)n1CCN1CCOCC1 ZINC000590927621 1072221015 /nfs/dbraw/zinc/22/10/15/1072221015.db2.gz HACPPDHIXNDQCO-UHFFFAOYSA-N 0 0 441.557 -0.088 20 30 IBEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2csc(C)n2)c(=O)n1CCN1CCOCC1 ZINC000590932749 1072221523 /nfs/dbraw/zinc/22/15/23/1072221523.db2.gz FEHCRZCVIUZITD-UHFFFAOYSA-N 0 0 445.570 -0.188 20 30 IBEDRN Cc1nc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCN3CCOCC3)c2=O)cs1 ZINC000590932765 1072221412 /nfs/dbraw/zinc/22/14/12/1072221412.db2.gz KCJKMESNZYLQEF-UHFFFAOYSA-N 0 0 445.570 -0.211 20 30 IBEDRN Cn1c2ncc(NC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)cc2c(=O)n(C)c1=O ZINC000590956568 1072221571 /nfs/dbraw/zinc/22/15/71/1072221571.db2.gz SPBPABCEXCTTFF-UHFFFAOYSA-N 0 0 428.430 -0.579 20 30 IBEDRN Cc1nc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C3CC3)c2=O)cs1 ZINC000590998017 1072222020 /nfs/dbraw/zinc/22/20/20/1072222020.db2.gz HOYPUVNPAXASDM-UHFFFAOYSA-N 0 0 445.570 -0.039 20 30 IBEDRN N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2ccncc2)c(=O)n1C1CC1 ZINC000590998702 1072221949 /nfs/dbraw/zinc/22/19/49/1072221949.db2.gz KOZQAAAOCGRYSO-UHFFFAOYSA-N 0 0 425.514 -0.409 20 30 IBEDRN Cn1ncc2c1ncnc2N1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000591594677 1072191016 /nfs/dbraw/zinc/19/10/16/1072191016.db2.gz GLQGLCLXCKVVOQ-UHFFFAOYSA-N 0 0 440.489 -0.138 20 30 IBEDRN Cn1ncc2c1ncnc2N1CCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000591594787 1072234705 /nfs/dbraw/zinc/23/47/05/1072234705.db2.gz OPUQBJAHVZAXPK-UHFFFAOYSA-N 0 0 440.489 -0.138 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccccc2S(=O)(=O)N2CCOCC2)C1=O ZINC000591776564 1072239072 /nfs/dbraw/zinc/23/90/72/1072239072.db2.gz HMZRNYVYTSKNKW-UHFFFAOYSA-N 0 0 436.446 -0.377 20 30 IBEDRN CN(CCCc1[nH]nc(N)c1C#N)C(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C ZINC000592226004 1072244907 /nfs/dbraw/zinc/24/49/07/1072244907.db2.gz DVXTYNMJHNFNMC-UHFFFAOYSA-N 0 0 435.510 -0.072 20 30 IBEDRN COC(=O)CN1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 ZINC000592569624 1072256995 /nfs/dbraw/zinc/25/69/95/1072256995.db2.gz KDMWZHKIIHRHAX-UHFFFAOYSA-N 0 0 449.533 -0.818 20 30 IBEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(-n3cncn3)c(F)c2)c(=O)n1C ZINC000592993952 1072250909 /nfs/dbraw/zinc/25/09/09/1072250909.db2.gz KZUMFPACHKRLBW-UHFFFAOYSA-N 0 0 442.476 -0.178 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(-n3cncn3)c(F)c2)c(=O)n1C ZINC000592994063 1072250998 /nfs/dbraw/zinc/25/09/98/1072250998.db2.gz YGMASVQJOSWIEB-UHFFFAOYSA-N 0 0 428.449 -0.568 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(Cc3nnnn3-c3ccccc3)CC2)C1=O ZINC000593823358 1072257366 /nfs/dbraw/zinc/25/73/66/1072257366.db2.gz WORFMNOIROBIGM-UHFFFAOYSA-N 0 0 438.448 -0.717 20 30 IBEDRN C=CCNC(=O)c1ccc(NC(=O)C(=O)NCCC(=O)N2CCN(C(C)=O)CC2)cc1 ZINC000594346657 1072262394 /nfs/dbraw/zinc/26/23/94/1072262394.db2.gz IWRWNLOOLLMPLV-UHFFFAOYSA-N 0 0 429.477 -0.262 20 30 IBEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCC(C)(C)NS(C)(=O)=O)cc1 ZINC000598358843 1072289207 /nfs/dbraw/zinc/28/92/07/1072289207.db2.gz JKOAJEBBYZRFPO-UHFFFAOYSA-N 0 0 446.551 -0.124 20 30 IBEDRN Cn1cc(C#N)c(=O)n(CC(=O)NCc2ccccc2S(=O)(=O)N2CCCCC2)c1=O ZINC000598951511 1072291985 /nfs/dbraw/zinc/29/19/85/1072291985.db2.gz MZAXXUIXCQHWFF-UHFFFAOYSA-N 0 0 445.501 -0.090 20 30 IBEDRN N#Cc1cccnc1N1CCN(C(=O)C(=O)N2CCN(c3ccc(C(N)=O)cn3)CC2)CC1 ZINC000600877311 1072547412 /nfs/dbraw/zinc/54/74/12/1072547412.db2.gz JGLUHNNNJORZHG-UHFFFAOYSA-N 0 0 448.487 -0.555 20 30 IBEDRN N#Cc1cccc(N2CCN(C(=O)C(=O)N3CCN(c4ccc(C(N)=O)cn4)CC3)CC2)n1 ZINC000600878598 1072547563 /nfs/dbraw/zinc/54/75/63/1072547563.db2.gz PPZGNLZPMNZSHT-UHFFFAOYSA-N 0 0 448.487 -0.555 20 30 IBEDRN C=CCNC(=O)NC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000603441025 1072291724 /nfs/dbraw/zinc/29/17/24/1072291724.db2.gz QJBGJLRUILMMMU-GFCCVEGCSA-N 0 0 436.494 -0.025 20 30 IBEDRN C=CCNC(=O)NC(=O)[C@H](C)N1CCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000603441030 1072291815 /nfs/dbraw/zinc/29/18/15/1072291815.db2.gz QJBGJLRUILMMMU-LBPRGKRZSA-N 0 0 436.494 -0.025 20 30 IBEDRN COCCN(C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000603444560 1072292493 /nfs/dbraw/zinc/29/24/93/1072292493.db2.gz HKEWSSVBSOMJFW-HNNXBMFYSA-N 0 0 429.520 -0.159 20 30 IBEDRN COCCN(C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000603444561 1072292483 /nfs/dbraw/zinc/29/24/83/1072292483.db2.gz HKEWSSVBSOMJFW-OAHLLOKOSA-N 0 0 429.520 -0.159 20 30 IBEDRN C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000603446461 1072292551 /nfs/dbraw/zinc/29/25/51/1072292551.db2.gz RBCHZHKYAPNCOD-HNNXBMFYSA-N 0 0 433.534 -0.010 20 30 IBEDRN C[C@H](C(=O)NC1CC1)N1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000603446462 1072292454 /nfs/dbraw/zinc/29/24/54/1072292454.db2.gz RBCHZHKYAPNCOD-OAHLLOKOSA-N 0 0 433.534 -0.010 20 30 IBEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3nc4ccccn4c3=O)CC2)cc1 ZINC000603459917 1072292500 /nfs/dbraw/zinc/29/25/00/1072292500.db2.gz NZSSWYBLTOUZQE-UHFFFAOYSA-N 0 0 426.458 -0.099 20 30 IBEDRN CN(CC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000603549332 1072295839 /nfs/dbraw/zinc/29/58/39/1072295839.db2.gz UEIPOFVMNGIZPG-INIZCTEOSA-N 0 0 440.547 -0.490 20 30 IBEDRN CN(CC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000603549336 1072295772 /nfs/dbraw/zinc/29/57/72/1072295772.db2.gz UEIPOFVMNGIZPG-MRXNPFEDSA-N 0 0 440.547 -0.490 20 30 IBEDRN COC(=O)c1csc(S(=O)(=O)N2CCN(S(=O)(=O)N(C)CCC#N)CC2)c1 ZINC000603555892 1071445121 /nfs/dbraw/zinc/44/51/21/1071445121.db2.gz DYQFFDHKIMSYCP-UHFFFAOYSA-N 0 0 436.537 -0.069 20 30 IBEDRN CC(C)NC(=O)C(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 ZINC000603586847 1072297516 /nfs/dbraw/zinc/29/75/16/1072297516.db2.gz FXIWIYSLEYOIAR-UHFFFAOYSA-N 0 0 435.506 -0.312 20 30 IBEDRN Cn1c2ncn(CC(=O)N3CCN(c4oc(C5CC5)nc4C#N)CC3)c2c(=O)n(C)c1=O ZINC000603590683 1072297415 /nfs/dbraw/zinc/29/74/15/1072297415.db2.gz NCMRWDYZDBUJBH-UHFFFAOYSA-N 0 0 438.448 -0.480 20 30 IBEDRN Cn1cnc2c1c(=O)n(CC(=O)N1CCN(c3oc(C4CC4)nc3C#N)CC1)c(=O)n2C ZINC000603590878 1072297491 /nfs/dbraw/zinc/29/74/91/1072297491.db2.gz ITQXXGPIWMZOML-UHFFFAOYSA-N 0 0 438.448 -0.480 20 30 IBEDRN Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN(C(=O)C(=O)NC(C)C)CC3)CC2)o1 ZINC000603629253 1072298926 /nfs/dbraw/zinc/29/89/26/1072298926.db2.gz HDOOBROXPLNQCY-UHFFFAOYSA-N 0 0 431.497 -0.828 20 30 IBEDRN CN1CCN(S(=O)(=O)N2CCN(S(=O)(=O)Cc3ccc(C#N)cc3)CC2)CC1 ZINC000603631571 1072298896 /nfs/dbraw/zinc/29/88/96/1072298896.db2.gz COKNFVVUCJUAFX-UHFFFAOYSA-N 0 0 427.552 -0.502 20 30 IBEDRN CN1CCN(S(=O)(=O)N2CCN(S(=O)(=O)Cc3cccc(C#N)c3)CC2)CC1 ZINC000603631633 1072298910 /nfs/dbraw/zinc/29/89/10/1072298910.db2.gz LGELBTSMVBJSNE-UHFFFAOYSA-N 0 0 427.552 -0.502 20 30 IBEDRN CCN1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C(=O)C1=O ZINC000603660205 1072299455 /nfs/dbraw/zinc/29/94/55/1072299455.db2.gz FIAURBQLRXTDHK-UHFFFAOYSA-N 0 0 433.490 -0.918 20 30 IBEDRN C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000603662275 1072299432 /nfs/dbraw/zinc/29/94/32/1072299432.db2.gz OVIBAQUUIRXJKT-KRWDZBQOSA-N 0 0 426.587 -0.173 20 30 IBEDRN C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000603662287 1072299567 /nfs/dbraw/zinc/29/95/67/1072299567.db2.gz OVIBAQUUIRXJKT-QGZVFWFLSA-N 0 0 426.587 -0.173 20 30 IBEDRN N#Cc1ccnc(N2CCN(CC(=O)N3CCN(CC(=O)N4CCOCC4)CC3)CC2)c1 ZINC000603682642 1072299415 /nfs/dbraw/zinc/29/94/15/1072299415.db2.gz VYXGSRHIVLCLKM-UHFFFAOYSA-N 0 0 441.536 -0.922 20 30 IBEDRN CN(CC(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000603708731 1072300687 /nfs/dbraw/zinc/30/06/87/1072300687.db2.gz LONDCSUEPWKQKR-HNNXBMFYSA-N 0 0 428.536 -0.033 20 30 IBEDRN CN(CC(=O)N1CCC[C@H](CNS(C)(=O)=O)C1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000603708734 1072300639 /nfs/dbraw/zinc/30/06/39/1072300639.db2.gz LONDCSUEPWKQKR-OAHLLOKOSA-N 0 0 428.536 -0.033 20 30 IBEDRN CCCCN(C(=O)Cn1c(=O)c(C#N)cn(CC)c1=O)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000603724027 1072300771 /nfs/dbraw/zinc/30/07/71/1072300771.db2.gz DKZZSZDSFJYCPS-UHFFFAOYSA-N 0 0 445.480 -0.011 20 30 IBEDRN CCn1cc(C#N)c(=O)n(CC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2N(C)C)c1=O ZINC000603724302 1072300573 /nfs/dbraw/zinc/30/05/73/1072300573.db2.gz OUDAQZIJZYEJKH-UHFFFAOYSA-N 0 0 448.505 -0.143 20 30 IBEDRN CCn1cc(C#N)c(=O)n(CC(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)c1=O ZINC000603724443 1072300622 /nfs/dbraw/zinc/30/06/22/1072300622.db2.gz YHTDIZOQJKJVPB-UHFFFAOYSA-N 0 0 442.451 -0.176 20 30 IBEDRN N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)cc1 ZINC000603732887 1072301717 /nfs/dbraw/zinc/30/17/17/1072301717.db2.gz CSVBUESCNPVARG-UHFFFAOYSA-N 0 0 448.501 -0.997 20 30 IBEDRN N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCN(C(=O)CN3CCOCC3)CC2)cc1 ZINC000603734619 1072301824 /nfs/dbraw/zinc/30/18/24/1072301824.db2.gz DFCGJKUAVGZCCF-UHFFFAOYSA-N 0 0 434.518 -0.524 20 30 IBEDRN CCN1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C(=O)C1=O ZINC000603781651 1072302173 /nfs/dbraw/zinc/30/21/73/1072302173.db2.gz LFKVEHCHUUIWNO-UHFFFAOYSA-N 0 0 433.490 -0.918 20 30 IBEDRN C=CCn1c(=O)c(=Cc2ccncc2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000603792847 1072302847 /nfs/dbraw/zinc/30/28/47/1072302847.db2.gz LSRMDCFTDWGVGD-UHFFFAOYSA-N 0 0 425.514 -0.558 20 30 IBEDRN C=CCn1c(=O)c(=Cc2ccccn2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000603792898 1072302828 /nfs/dbraw/zinc/30/28/28/1072302828.db2.gz NXZNCDAVGGBVFR-UHFFFAOYSA-N 0 0 425.514 -0.558 20 30 IBEDRN C=CCn1c(=O)c(=Cc2ccc(C)o2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000603792991 1072302765 /nfs/dbraw/zinc/30/27/65/1072302765.db2.gz QKLJQXRJRQNNDU-UHFFFAOYSA-N 0 0 428.514 -0.051 20 30 IBEDRN CC(C)Cn1c(=O)c(=Cc2ccncc2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000603795708 1072302776 /nfs/dbraw/zinc/30/27/76/1072302776.db2.gz FNQVRUDJWOFZAX-UHFFFAOYSA-N 0 0 441.557 -0.088 20 30 IBEDRN CCCn1c(=O)c(=Cc2ccccn2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000603796291 1072302950 /nfs/dbraw/zinc/30/29/50/1072302950.db2.gz DLGIPDWVGXBQQY-UHFFFAOYSA-N 0 0 427.530 -0.334 20 30 IBEDRN CC(C)Cn1c(=O)c(=Cc2ccccn2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000603796647 1072302854 /nfs/dbraw/zinc/30/28/54/1072302854.db2.gz VJRVRLDSHZBRKK-UHFFFAOYSA-N 0 0 441.557 -0.088 20 30 IBEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1CCN1CCOCC1 ZINC000603796840 1072302871 /nfs/dbraw/zinc/30/28/71/1072302871.db2.gz AXWOZRIJSFJPNI-UHFFFAOYSA-N 0 0 427.530 -0.335 20 30 IBEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccco2)c(=O)n1CCN1CCOCC1 ZINC000603796972 1072302784 /nfs/dbraw/zinc/30/27/84/1072302784.db2.gz HSDIBPDJPBMKRQ-UHFFFAOYSA-N 0 0 446.529 -0.509 20 30 IBEDRN N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccccn2)c(=O)n1CCN1CCOCC1 ZINC000603797001 1072302737 /nfs/dbraw/zinc/30/27/37/1072302737.db2.gz HWXXWUFFXYQUCG-UHFFFAOYSA-N 0 0 425.514 -0.581 20 30 IBEDRN CCCn1c(=O)c(=Cc2ccncc2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000603797049 1072302895 /nfs/dbraw/zinc/30/28/95/1072302895.db2.gz XCTBMNGJTAMZNR-UHFFFAOYSA-N 0 0 427.530 -0.334 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cccs2)c(=O)n1CCN1CCOCC1 ZINC000603797121 1072302757 /nfs/dbraw/zinc/30/27/57/1072302757.db2.gz BZFHRVUMSWUISJ-UHFFFAOYSA-N 0 0 448.570 -0.431 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccsc2)c(=O)n1CCN1CCOCC1 ZINC000603797136 1072302909 /nfs/dbraw/zinc/30/29/09/1072302909.db2.gz CJPVEAHXXPAKDB-UHFFFAOYSA-N 0 0 448.570 -0.431 20 30 IBEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1CCN1CCOCC1 ZINC000603797192 1072302794 /nfs/dbraw/zinc/30/27/94/1072302794.db2.gz FDTGCVNALQBWHA-UHFFFAOYSA-N 0 0 425.514 -0.558 20 30 IBEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccccn2)c(=O)n1C[C@@H]1CCCO1 ZINC000603797279 1072302880 /nfs/dbraw/zinc/30/28/80/1072302880.db2.gz BAGZUQCFGJOCPD-INIZCTEOSA-N 0 0 426.498 -0.154 20 30 IBEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccccn2)c(=O)n1C[C@H]1CCCO1 ZINC000603797290 1072302746 /nfs/dbraw/zinc/30/27/46/1072302746.db2.gz BAGZUQCFGJOCPD-MRXNPFEDSA-N 0 0 426.498 -0.154 20 30 IBEDRN N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccncc2)c(=O)n1CCN1CCOCC1 ZINC000603797494 1072302835 /nfs/dbraw/zinc/30/28/35/1072302835.db2.gz NKXWFUITHKFZQS-UHFFFAOYSA-N 0 0 439.541 -0.238 20 30 IBEDRN N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccccn2)c(=O)n1CCN1CCOCC1 ZINC000603797496 1072302933 /nfs/dbraw/zinc/30/29/33/1072302933.db2.gz NUYZRXAYALOOPJ-UHFFFAOYSA-N 0 0 439.541 -0.238 20 30 IBEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccncc2)c(=O)n1CCN1CCOCC1 ZINC000603797539 1072302919 /nfs/dbraw/zinc/30/29/19/1072302919.db2.gz HKPRQBSAANNBMH-UHFFFAOYSA-N 0 0 425.514 -0.558 20 30 IBEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccco2)c(=O)n1CCN1CCOCC1 ZINC000603797868 1072302808 /nfs/dbraw/zinc/30/28/08/1072302808.db2.gz RUCRLNNVLPCNQA-UHFFFAOYSA-N 0 0 444.513 -0.803 20 30 IBEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccncc2)c(=O)n1CCN1CCOCC1 ZINC000603797960 1072303525 /nfs/dbraw/zinc/30/35/25/1072303525.db2.gz OQCCYNQFOZYUPW-UHFFFAOYSA-N 0 0 427.530 -0.335 20 30 IBEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)o2)c(=O)n1CCN1CCOCC1 ZINC000603797961 1072303459 /nfs/dbraw/zinc/30/34/59/1072303459.db2.gz ORCZLCLYWFCVCE-UHFFFAOYSA-N 0 0 428.514 -0.051 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccco2)c(=O)n1CCN1CCOCC1 ZINC000603797998 1072303424 /nfs/dbraw/zinc/30/34/24/1072303424.db2.gz QQJMEFSTQKDBMU-UHFFFAOYSA-N 0 0 432.502 -0.899 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)o2)c(=O)n1CCN1CCOCC1 ZINC000603798292 1072303292 /nfs/dbraw/zinc/30/32/92/1072303292.db2.gz WERVRTFKHJUFLF-UHFFFAOYSA-N 0 0 446.529 -0.591 20 30 IBEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccncc2)c(=O)n1C[C@@H]1CCCO1 ZINC000603801116 1072303409 /nfs/dbraw/zinc/30/34/09/1072303409.db2.gz YIKNWWILYSNDQV-INIZCTEOSA-N 0 0 426.498 -0.154 20 30 IBEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccncc2)c(=O)n1C[C@H]1CCCO1 ZINC000603801118 1072303337 /nfs/dbraw/zinc/30/33/37/1072303337.db2.gz YIKNWWILYSNDQV-MRXNPFEDSA-N 0 0 426.498 -0.154 20 30 IBEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCCC(=O)N2CCOCC2)CC1 ZINC000603805697 1072303210 /nfs/dbraw/zinc/30/32/10/1072303210.db2.gz BYGXGDHYPIYQBD-UHFFFAOYSA-N 0 0 435.506 -0.177 20 30 IBEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCCC(=O)N3CCOCC3)CC2)cc1 ZINC000603806448 1072303220 /nfs/dbraw/zinc/30/32/20/1072303220.db2.gz ZGFYOJQDENYTHI-UHFFFAOYSA-N 0 0 435.506 -0.177 20 30 IBEDRN CN(CCCNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)S(C)(=O)=O ZINC000603822734 1072303856 /nfs/dbraw/zinc/30/38/56/1072303856.db2.gz GSJGUVVCPBXEEW-UHFFFAOYSA-N 0 0 443.551 -0.144 20 30 IBEDRN CNC(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1CCN1CCOCC1 ZINC000603825984 1072303991 /nfs/dbraw/zinc/30/39/91/1072303991.db2.gz LYZUMZSKECKXKC-UHFFFAOYSA-N 0 0 443.485 -0.601 20 30 IBEDRN CNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1CCN1CCOCC1 ZINC000603826027 1072304003 /nfs/dbraw/zinc/30/40/03/1072304003.db2.gz YBJRVAIXQMRIND-UHFFFAOYSA-N 0 0 443.485 -0.601 20 30 IBEDRN CNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2)c(=O)n1CCN1CCOCC1 ZINC000603826202 1072303912 /nfs/dbraw/zinc/30/39/12/1072303912.db2.gz BJEMNIZXDHXOQV-UHFFFAOYSA-N 0 0 428.514 -0.500 20 30 IBEDRN CNC(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1CCN1CCOCC1 ZINC000603826473 1072303965 /nfs/dbraw/zinc/30/39/65/1072303965.db2.gz NZPYQWXATKYWRW-UHFFFAOYSA-N 0 0 443.485 -0.601 20 30 IBEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(CC(=O)N2CCN(C(=O)C3CC3)CC2)CC1 ZINC000603844067 1072304476 /nfs/dbraw/zinc/30/44/76/1072304476.db2.gz OCBZQNVPYNTQDY-UHFFFAOYSA-N 0 0 445.545 -0.055 20 30 IBEDRN CN1CCN(S(=O)(=O)N2CCN(C[C@H](O)COc3ccc(CC#N)cc3)CC2)CC1 ZINC000603847214 1072304545 /nfs/dbraw/zinc/30/45/45/1072304545.db2.gz JQTYRPIAICVJPY-IBGZPJMESA-N 0 0 437.566 -0.398 20 30 IBEDRN CN1CCN(S(=O)(=O)N2CCN(C[C@@H](O)COc3ccc(CC#N)cc3)CC2)CC1 ZINC000603847223 1072304521 /nfs/dbraw/zinc/30/45/21/1072304521.db2.gz JQTYRPIAICVJPY-LJQANCHMSA-N 0 0 437.566 -0.398 20 30 IBEDRN CN(C(=O)CN1CCN(S(=O)(=O)N2CCN(C)CC2)CC1)C1(C#N)CCCCC1 ZINC000603847303 1072304501 /nfs/dbraw/zinc/30/45/01/1072304501.db2.gz QFUJZXRANZDVBF-UHFFFAOYSA-N 0 0 426.587 -0.219 20 30 IBEDRN N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)cc1 ZINC000603908545 1072306490 /nfs/dbraw/zinc/30/64/90/1072306490.db2.gz XFVAXEANZRXKKR-UHFFFAOYSA-N 0 0 433.490 -0.558 20 30 IBEDRN CNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2)c(=O)n1CCN1CCOCC1 ZINC000603924086 1072307053 /nfs/dbraw/zinc/30/70/53/1072307053.db2.gz NMXLRQQIGFIWJZ-UHFFFAOYSA-N 0 0 428.514 -0.500 20 30 IBEDRN CNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(F)c2)c(=O)n1CCN1CCOCC1 ZINC000603924286 1072306988 /nfs/dbraw/zinc/30/69/88/1072306988.db2.gz BIUVFKLLYWJYJZ-UHFFFAOYSA-N 0 0 434.468 -0.231 20 30 IBEDRN Cn1c(=O)c(=Cc2ccc(F)cc2F)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000603924504 1072307033 /nfs/dbraw/zinc/30/70/33/1072307033.db2.gz JTASWNGLBSBYCW-UHFFFAOYSA-N 0 0 434.468 -0.324 20 30 IBEDRN CNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2F)c(=O)n1CCN1CCOCC1 ZINC000603924539 1072307096 /nfs/dbraw/zinc/30/70/96/1072307096.db2.gz SRUHSMYIOGARLP-UHFFFAOYSA-N 0 0 434.468 -0.231 20 30 IBEDRN CCOc1cccc(C=c2sc(=C(C#N)C(=O)NC)n(CCN3CCOCC3)c2=O)c1 ZINC000603989804 1072307566 /nfs/dbraw/zinc/30/75/66/1072307566.db2.gz BQUNFDFBEZBPKB-UHFFFAOYSA-N 0 0 442.541 -0.110 20 30 IBEDRN COCCOc1cccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C)c2=O)c1 ZINC000603993042 1072307585 /nfs/dbraw/zinc/30/75/85/1072307585.db2.gz GLEVSFQGETYWLB-UHFFFAOYSA-N 0 0 429.498 -0.166 20 30 IBEDRN CCOc1cccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C)c2=O)c1 ZINC000603993088 1072307536 /nfs/dbraw/zinc/30/75/36/1072307536.db2.gz HMTZCOQMYBAGNP-UHFFFAOYSA-N 0 0 442.541 -0.203 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccccc1C#N ZINC000604002689 1072307411 /nfs/dbraw/zinc/30/74/11/1072307411.db2.gz IYHNSTXPROARHF-UHFFFAOYSA-N 0 0 434.481 -0.230 20 30 IBEDRN C=CCN(C)S(=O)(=O)c1ccc(NCC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 ZINC000604009836 1071448016 /nfs/dbraw/zinc/44/80/16/1071448016.db2.gz UDZCRKLDABISOV-AWEZNQCLSA-N 0 0 444.535 -0.082 20 30 IBEDRN C=CCN(C)S(=O)(=O)c1ccc(NCC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000604009837 1072307425 /nfs/dbraw/zinc/30/74/25/1072307425.db2.gz UDZCRKLDABISOV-CQSZACIVSA-N 0 0 444.535 -0.082 20 30 IBEDRN N#Cc1cc(S(=O)(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)ccc1Cl ZINC000604024510 1072307948 /nfs/dbraw/zinc/30/79/48/1072307948.db2.gz LRROPDFXKMUFRL-UHFFFAOYSA-N 0 0 426.882 -0.097 20 30 IBEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)cc1Cl ZINC000604024681 1072308128 /nfs/dbraw/zinc/30/81/28/1072308128.db2.gz RATWBIJCRIWUHB-UHFFFAOYSA-N 0 0 426.882 -0.097 20 30 IBEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1C ZINC000604118286 1072310101 /nfs/dbraw/zinc/31/01/01/1072310101.db2.gz ALLMDXVZMWXDQQ-UHFFFAOYSA-N 0 0 435.527 -0.494 20 30 IBEDRN Cn1c(=O)c(=Cc2ccc(S(C)(=O)=O)cc2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000604118879 1072310197 /nfs/dbraw/zinc/31/01/97/1072310197.db2.gz WKFOCLGDWFFUCB-UHFFFAOYSA-N 0 0 433.511 -0.788 20 30 IBEDRN CNC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1C[C@@H]1CCCO1 ZINC000604119195 1072310088 /nfs/dbraw/zinc/31/00/88/1072310088.db2.gz GJWPQEPTMVJBNT-AWEZNQCLSA-N 0 0 447.538 -0.259 20 30 IBEDRN CNC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1C[C@H]1CCCO1 ZINC000604119200 1072310282 /nfs/dbraw/zinc/31/02/82/1072310282.db2.gz GJWPQEPTMVJBNT-CQSZACIVSA-N 0 0 447.538 -0.259 20 30 IBEDRN CCCn1c(=O)c(=Cc2ccc(S(C)(=O)=O)cc2)sc1=C(C#N)C(=O)NCCOC ZINC000604120001 1072310020 /nfs/dbraw/zinc/31/00/20/1072310020.db2.gz WABLOKMZJMRVFC-UHFFFAOYSA-N 0 0 449.554 -0.011 20 30 IBEDRN CCOCCCn1c(=O)c(=Cc2ccc(S(C)(=O)=O)cc2)sc1=C(C#N)C(=O)NC ZINC000604120066 1072310186 /nfs/dbraw/zinc/31/01/86/1072310186.db2.gz XWTKPIAUYDGGJY-UHFFFAOYSA-N 0 0 449.554 -0.011 20 30 IBEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CCN2CCCS2(=O)=O)CC1 ZINC000604130476 1072311264 /nfs/dbraw/zinc/31/12/64/1072311264.db2.gz JZZVMPAQYKUQQJ-UHFFFAOYSA-N 0 0 426.520 -0.183 20 30 IBEDRN N#Cc1cccc(CNC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)c1 ZINC000604136727 1072310528 /nfs/dbraw/zinc/31/05/28/1072310528.db2.gz GYLNQLLHCSDAMI-UHFFFAOYSA-N 0 0 441.469 -0.066 20 30 IBEDRN N#Cc1ccc(CNC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)cc1 ZINC000604139276 1072310679 /nfs/dbraw/zinc/31/06/79/1072310679.db2.gz PXXZCURJMHKYNA-UHFFFAOYSA-N 0 0 441.469 -0.066 20 30 IBEDRN COCCn1cc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cn1 ZINC000604158346 1072311288 /nfs/dbraw/zinc/31/12/88/1072311288.db2.gz MSCCXHIKWVLWNY-UHFFFAOYSA-N 0 0 446.489 -0.127 20 30 IBEDRN N#Cc1ccc(NC(=O)C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)cc1Cl ZINC000604164379 1072312314 /nfs/dbraw/zinc/31/23/14/1072312314.db2.gz PAZMRNKXXGPXCX-UHFFFAOYSA-N 0 0 433.852 -0.320 20 30 IBEDRN N#Cc1cc(NC(=O)C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)ccc1Cl ZINC000604164828 1072312180 /nfs/dbraw/zinc/31/21/80/1072312180.db2.gz XTOXHQUVNVKDBN-UHFFFAOYSA-N 0 0 433.852 -0.320 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)NCCCN2CCN(c3ncccn3)CC2)CC1 ZINC000604166121 1072312373 /nfs/dbraw/zinc/31/23/73/1072312373.db2.gz PKLGQIDCKIPUNH-UHFFFAOYSA-N 0 0 430.557 -0.382 20 30 IBEDRN Cn1c2ncc(NC(=O)C(=O)N3CCN(c4ncccc4C#N)CC3)cc2c(=O)n(C)c1=O ZINC000604168850 1072312282 /nfs/dbraw/zinc/31/22/82/1072312282.db2.gz JTSPNPPRQSYCTH-UHFFFAOYSA-N 0 0 448.443 -0.814 20 30 IBEDRN N#Cc1cccnc1N1CCN(C(=O)C(=O)Nc2cccc(C(=O)NCC(N)=O)c2)CC1 ZINC000604168856 1072312250 /nfs/dbraw/zinc/31/22/50/1072312250.db2.gz KHOOIKSBIAJJCR-UHFFFAOYSA-N 0 0 435.444 -0.544 20 30 IBEDRN N#Cc1cccnc1N1CCN(C(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)CC1 ZINC000604168992 1072312177 /nfs/dbraw/zinc/31/21/77/1072312177.db2.gz OMPYUZLYBNNWDT-UHFFFAOYSA-N 0 0 434.460 -0.428 20 30 IBEDRN N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)cc1 ZINC000604181858 1072311635 /nfs/dbraw/zinc/31/16/35/1072311635.db2.gz YAYWGWXPBKSJTJ-UHFFFAOYSA-N 0 0 446.485 -0.707 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)CC1 ZINC000604186665 1072312800 /nfs/dbraw/zinc/31/28/00/1072312800.db2.gz KVFJVNOBYKIEGN-UHFFFAOYSA-N 0 0 443.552 -0.250 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)CC1 ZINC000604195277 1072313573 /nfs/dbraw/zinc/31/35/73/1072313573.db2.gz KIRLCQUFEFCSQA-INIZCTEOSA-N 0 0 431.559 -0.896 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)CC1 ZINC000604195282 1072313421 /nfs/dbraw/zinc/31/34/21/1072313421.db2.gz KIRLCQUFEFCSQA-MRXNPFEDSA-N 0 0 431.559 -0.896 20 30 IBEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2C)c(=O)n1CC(=O)N(C)C ZINC000604269088 1072314896 /nfs/dbraw/zinc/31/48/96/1072314896.db2.gz MFKULRUYCLWNAD-UHFFFAOYSA-N 0 0 442.541 -0.038 20 30 IBEDRN Cc1ccccc1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(CC(=O)N(C)C)c1=O ZINC000604269110 1072314942 /nfs/dbraw/zinc/31/49/42/1072314942.db2.gz RYJPEOJNPPWEBW-UHFFFAOYSA-N 0 0 440.525 -0.332 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2C)c(=O)n1CC(=O)N(C)C ZINC000604269127 1072314858 /nfs/dbraw/zinc/31/48/58/1072314858.db2.gz UDKNBNQVYDYBSD-UHFFFAOYSA-N 0 0 428.514 -0.428 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC)c(=O)n1CC(=O)N(C)C ZINC000604269756 1072315244 /nfs/dbraw/zinc/31/52/44/1072315244.db2.gz AQKUPXGFPAYAIP-UHFFFAOYSA-N 0 0 444.513 -0.728 20 30 IBEDRN COc1cccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CC(=O)N(C)C)c2=O)c1 ZINC000604269772 1072315188 /nfs/dbraw/zinc/31/51/88/1072315188.db2.gz BAIZCMITVFVKLJ-UHFFFAOYSA-N 0 0 426.498 -0.212 20 30 IBEDRN COc1ccccc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(CC(=O)N(C)C)c1=O ZINC000604269774 1072315270 /nfs/dbraw/zinc/31/52/70/1072315270.db2.gz BDKBUVOBNBETBG-UHFFFAOYSA-N 0 0 426.498 -0.212 20 30 IBEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1CC(=O)N(C)C ZINC000604269801 1072315231 /nfs/dbraw/zinc/31/52/31/1072315231.db2.gz CMXYTNLZYJRNMJ-UHFFFAOYSA-N 0 0 443.485 -0.066 20 30 IBEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1CC(=O)N(C)C ZINC000604269808 1072315300 /nfs/dbraw/zinc/31/53/00/1072315300.db2.gz CZDUSMXNGOSLJY-UHFFFAOYSA-N 0 0 443.485 -0.066 20 30 IBEDRN CCc1ccc(C=c2sc(=C(C#N)C(=O)NCCOC)n(CC(=O)N(C)C)c2=O)cc1 ZINC000604269809 1072315204 /nfs/dbraw/zinc/31/52/04/1072315204.db2.gz CZGJTUXWDKJBAC-UHFFFAOYSA-N 0 0 442.541 -0.174 20 30 IBEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1CC(=O)N(C)C ZINC000604269830 1072315237 /nfs/dbraw/zinc/31/52/37/1072315237.db2.gz FFDCGNXHPUGYBK-UHFFFAOYSA-N 0 0 429.502 -0.951 20 30 IBEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1CC(=O)N(C)C ZINC000604269835 1072315199 /nfs/dbraw/zinc/31/51/99/1072315199.db2.gz FJTPCVLLXDVZBJ-UHFFFAOYSA-N 0 0 443.529 -0.561 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2sccc2C)c(=O)n1CC(=O)N(C)C ZINC000604269850 1072315182 /nfs/dbraw/zinc/31/51/82/1072315182.db2.gz FXVTZFAROPGNBP-UHFFFAOYSA-N 0 0 434.543 -0.366 20 30 IBEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CC(=O)N(C)C)c2=O)cc1 ZINC000604269853 1072315279 /nfs/dbraw/zinc/31/52/79/1072315279.db2.gz GGUYEYDAOBFIMB-UHFFFAOYSA-N 0 0 426.498 -0.212 20 30 IBEDRN Cc1ccsc1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(CC(=O)N(C)C)c1=O ZINC000604269869 1072315197 /nfs/dbraw/zinc/31/51/97/1072315197.db2.gz GVMDMZAJXMJQMI-UHFFFAOYSA-N 0 0 446.554 -0.270 20 30 IBEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccsc2)c(=O)n1CC(=O)N(C)C ZINC000604269919 1072315172 /nfs/dbraw/zinc/31/51/72/1072315172.db2.gz IYSJIBAISOYASP-UHFFFAOYSA-N 0 0 434.543 -0.285 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2C)c(=O)n1CC(=O)N(C)C ZINC000604269935 1072315290 /nfs/dbraw/zinc/31/52/90/1072315290.db2.gz JSVUJVUCUFJJBB-UHFFFAOYSA-N 0 0 442.541 -0.119 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2)c(=O)n1CC(=O)N(C)C ZINC000604269958 1072315191 /nfs/dbraw/zinc/31/51/91/1072315191.db2.gz KRYOLIZQKVWDBC-UHFFFAOYSA-N 0 0 444.513 -0.728 20 30 IBEDRN CN(C)C(=O)Cn1c(=O)c(=Cc2cccc([N+](=O)[O-])c2)sc1=C(C#N)C(=O)NC1CC1 ZINC000604269982 1072315317 /nfs/dbraw/zinc/31/53/17/1072315317.db2.gz LPEUQDMTSPVAHE-UHFFFAOYSA-N 0 0 441.469 -0.312 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2)c(=O)n1CC(=O)N(C)C ZINC000604270013 1072315309 /nfs/dbraw/zinc/31/53/09/1072315309.db2.gz MMIXPOYTPGTGGA-UHFFFAOYSA-N 0 0 432.477 -0.597 20 30 IBEDRN CN(C)C(=O)Cn1c(=O)c(=Cc2ccc([N+](=O)[O-])cc2)sc1=C(C#N)C(=O)NC1CC1 ZINC000604270028 1072315252 /nfs/dbraw/zinc/31/52/52/1072315252.db2.gz MWFFCELBXKHEOZ-UHFFFAOYSA-N 0 0 441.469 -0.312 20 30 IBEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2)c(=O)n1CC(=O)N(C)C ZINC000604270055 1072315856 /nfs/dbraw/zinc/31/58/56/1072315856.db2.gz NYBLQLYNQBVUPN-UHFFFAOYSA-N 0 0 442.541 -0.038 20 30 IBEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1CC(=O)N(C)C ZINC000604270063 1072315834 /nfs/dbraw/zinc/31/58/34/1072315834.db2.gz OJUKXYDSJVMSCD-UHFFFAOYSA-N 0 0 443.485 -0.065 20 30 IBEDRN Cc1cccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CC(=O)N(C)C)c2=O)c1 ZINC000604270070 1072315781 /nfs/dbraw/zinc/31/57/81/1072315781.db2.gz OOFMAUBXUVQWJK-UHFFFAOYSA-N 0 0 440.525 -0.332 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)cc2)c(=O)n1CC(=O)N(C)C ZINC000604270118 1072315634 /nfs/dbraw/zinc/31/56/34/1072315634.db2.gz GNDFHGSGCVADJJ-UHFFFAOYSA-N 0 0 448.932 -0.083 20 30 IBEDRN CN(C)C(=O)Cn1c(=O)c(=Cc2ccc(F)cc2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000604270131 1072315644 /nfs/dbraw/zinc/31/56/44/1072315644.db2.gz HRCHIDKQTAZSNW-UHFFFAOYSA-N 0 0 444.488 -0.501 20 30 IBEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1CC(=O)N(C)C ZINC000604270144 1072315801 /nfs/dbraw/zinc/31/58/01/1072315801.db2.gz IYCDMEKSAMOTMM-UHFFFAOYSA-N 0 0 440.525 -0.038 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2F)c(=O)n1CC(=O)N(C)C ZINC000604270170 1072315725 /nfs/dbraw/zinc/31/57/25/1072315725.db2.gz RAWRXIRVHPQKHQ-UHFFFAOYSA-N 0 0 432.477 -0.597 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)ccc2C)c(=O)n1CC(=O)N(C)C ZINC000604270183 1072315844 /nfs/dbraw/zinc/31/58/44/1072315844.db2.gz RXFWGTSIRSZZKE-UHFFFAOYSA-N 0 0 442.541 -0.119 20 30 IBEDRN Cc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CC(=O)N(C)C)c2=O)s1 ZINC000604270184 1072315756 /nfs/dbraw/zinc/31/57/56/1072315756.db2.gz RYAYVGPQWQJSIB-UHFFFAOYSA-N 0 0 446.554 -0.270 20 30 IBEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cccs2)c(=O)n1CC(=O)N(C)C ZINC000604270191 1072315654 /nfs/dbraw/zinc/31/56/54/1072315654.db2.gz SCOFALHAVQTRLZ-UHFFFAOYSA-N 0 0 434.543 -0.285 20 30 IBEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1CC(=O)N(C)C ZINC000604270193 1072315793 /nfs/dbraw/zinc/31/57/93/1072315793.db2.gz SEXFWLSHRHDBFW-UHFFFAOYSA-N 0 0 428.514 -0.346 20 30 IBEDRN CN(C)C(=O)Cn1c(=O)c(=Cc2cccs2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000604270205 1072315768 /nfs/dbraw/zinc/31/57/68/1072315768.db2.gz SSMUGUZBIONYEC-UHFFFAOYSA-N 0 0 432.527 -0.579 20 30 IBEDRN CN(C)C(=O)Cn1c(=O)c(=Cc2cccc(F)c2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000604270206 1072315745 /nfs/dbraw/zinc/31/57/45/1072315745.db2.gz SUDFRJKJHLYVRM-UHFFFAOYSA-N 0 0 444.488 -0.501 20 30 IBEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1CC(=O)N(C)C ZINC000604270228 1072315222 /nfs/dbraw/zinc/31/52/22/1072315222.db2.gz UTZFNVBSQQDAMX-UHFFFAOYSA-N 0 0 443.485 -0.066 20 30 IBEDRN CN(C)C(=O)Cn1c(=O)c(=Cc2ccccc2F)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000604270237 1072315824 /nfs/dbraw/zinc/31/58/24/1072315824.db2.gz VLQDFVDVZNHUNG-UHFFFAOYSA-N 0 0 444.488 -0.501 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2)c(=O)n1CC(=O)N(C)C ZINC000604270242 1072315260 /nfs/dbraw/zinc/31/52/60/1072315260.db2.gz VQSUNAOVOLDXRN-UHFFFAOYSA-N 0 0 428.514 -0.428 20 30 IBEDRN CN(C)C(=O)Cn1c(=O)c(=Cc2ccccn2)sc1=C(C#N)C(=O)NC1CCCC1 ZINC000604270243 1072315212 /nfs/dbraw/zinc/31/52/12/1072315212.db2.gz VRAOKDGERQVKHA-UHFFFAOYSA-N 0 0 425.514 -0.045 20 30 IBEDRN CN(C)C(=O)Cn1c(=O)c(=Cc2ccc3c(c2)CCO3)sc1=C(C#N)C(=O)NC1CC1 ZINC000604270292 1072315680 /nfs/dbraw/zinc/31/56/80/1072315680.db2.gz MFDGYGCOSSZLCW-UHFFFAOYSA-N 0 0 438.509 -0.285 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2)c(=O)n1CC(=O)N(C)C ZINC000604270336 1072315713 /nfs/dbraw/zinc/31/57/13/1072315713.db2.gz WDRMVCHQIGDRDB-UHFFFAOYSA-N 0 0 428.514 -0.428 20 30 IBEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1CC(=O)N(C)C ZINC000604270348 1072316167 /nfs/dbraw/zinc/31/61/67/1072316167.db2.gz WQLJKXMRKYGCDA-UHFFFAOYSA-N 0 0 443.485 -0.065 20 30 IBEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2)c(=O)n1CC(=O)N(C)C ZINC000604270353 1072316290 /nfs/dbraw/zinc/31/62/90/1072316290.db2.gz WTBWSVLVKTXISQ-UHFFFAOYSA-N 0 0 446.504 -0.207 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)s2)c(=O)n1CC(=O)N(C)C ZINC000604270362 1072316142 /nfs/dbraw/zinc/31/61/42/1072316142.db2.gz WXFSJZVHJCKWID-UHFFFAOYSA-N 0 0 434.543 -0.366 20 30 IBEDRN CN(C)C(=O)Cn1c(=O)c(=Cc2ccccc2[N+](=O)[O-])sc1=C(C#N)C(=O)NC1CC1 ZINC000604270376 1072316202 /nfs/dbraw/zinc/31/62/02/1072316202.db2.gz XDZKAUAOSYCMEG-UHFFFAOYSA-N 0 0 441.469 -0.312 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2Cl)c(=O)n1CC(=O)N(C)C ZINC000604270399 1072316227 /nfs/dbraw/zinc/31/62/27/1072316227.db2.gz XUSFMXPVICBFNY-UHFFFAOYSA-N 0 0 448.932 -0.083 20 30 IBEDRN CN(C)C(=O)Cn1c(=O)c(=Cc2ccnn2C)sc1=C(C#N)C(=O)NC1CCCC1 ZINC000604270407 1072316235 /nfs/dbraw/zinc/31/62/35/1072316235.db2.gz ONCJNJWQKVWTJW-UHFFFAOYSA-N 0 0 428.518 -0.707 20 30 IBEDRN CN(C)C(=O)Cn1c(=O)c(=Cc2ccsc2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000604270414 1072316152 /nfs/dbraw/zinc/31/61/52/1072316152.db2.gz YGZKUZXLWXXDPZ-UHFFFAOYSA-N 0 0 432.527 -0.579 20 30 IBEDRN Cc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CC(=O)N(C)C)c2=O)cc1 ZINC000604270417 1072316247 /nfs/dbraw/zinc/31/62/47/1072316247.db2.gz YKQNNVWNLVOTPO-UHFFFAOYSA-N 0 0 440.525 -0.332 20 30 IBEDRN CN(C)C(=O)Cn1c(=O)c(=Cc2ccccc2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000604270419 1072316159 /nfs/dbraw/zinc/31/61/59/1072316159.db2.gz YMMBEYZXAXCSEE-UHFFFAOYSA-N 0 0 426.498 -0.640 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(Cl)c2)c(=O)n1CC(=O)N(C)C ZINC000604270423 1072316243 /nfs/dbraw/zinc/31/62/43/1072316243.db2.gz YSFMQXCIGZKIJO-UHFFFAOYSA-N 0 0 448.932 -0.083 20 30 IBEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2)c(=O)n1CC(=O)N(C)C ZINC000604270427 1072316255 /nfs/dbraw/zinc/31/62/55/1072316255.db2.gz ZBJAIFPSJSRVTH-UHFFFAOYSA-N 0 0 442.541 -0.038 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2)c(=O)n1CC(=O)N(C)C ZINC000604270449 1072316321 /nfs/dbraw/zinc/31/63/21/1072316321.db2.gz ZUARMCCIICULCI-UHFFFAOYSA-N 0 0 444.513 -0.728 20 30 IBEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2F)c(=O)n1CC(=O)N(C)C ZINC000604270451 1072316264 /nfs/dbraw/zinc/31/62/64/1072316264.db2.gz ZZTLZUNCQDQACX-UHFFFAOYSA-N 0 0 446.504 -0.207 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2)c(=O)n1CC(=O)N(C)C ZINC000604270497 1072316279 /nfs/dbraw/zinc/31/62/79/1072316279.db2.gz SUHQFQPKGSCTFN-UHFFFAOYSA-N 0 0 432.477 -0.597 20 30 IBEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1CC(=O)N(C)C ZINC000604270504 1072315811 /nfs/dbraw/zinc/31/58/11/1072315811.db2.gz UIAGVUGHULHEFH-UHFFFAOYSA-N 0 0 440.525 -0.039 20 30 IBEDRN CN(C)C(=O)Cn1c(=O)c(=Cc2ccnn2C)sc1=C(C#N)C(=O)Nc1ccccc1 ZINC000604270508 1072315694 /nfs/dbraw/zinc/31/56/94/1072315694.db2.gz URQFFKDVDJLWDK-UHFFFAOYSA-N 0 0 436.497 -0.127 20 30 IBEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2)c(=O)n1CC(=O)N(C)C ZINC000604270541 1072315703 /nfs/dbraw/zinc/31/57/03/1072315703.db2.gz XKQBIWLKVWPHER-UHFFFAOYSA-N 0 0 446.504 -0.207 20 30 IBEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CC(=O)N(C)C)c2=O)cc1F ZINC000604270570 1072315666 /nfs/dbraw/zinc/31/56/66/1072315666.db2.gz ZYSDJDFMQKNDTR-UHFFFAOYSA-N 0 0 444.488 -0.073 20 30 IBEDRN CS(=O)(=O)N1CCN(CCNC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 ZINC000604429835 1072319998 /nfs/dbraw/zinc/31/99/98/1072319998.db2.gz ZMPWVRHWOQQJDY-UHFFFAOYSA-N 0 0 443.551 -0.814 20 30 IBEDRN CS(=O)(=O)N1CCN(CCNC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1 ZINC000604430013 1072319880 /nfs/dbraw/zinc/31/98/80/1072319880.db2.gz AFYVDXANDWWMJP-UHFFFAOYSA-N 0 0 428.536 -0.834 20 30 IBEDRN Cn1c(=O)c(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)sc1=C(C#N)C(=O)NC1CC1 ZINC000604434437 1072320272 /nfs/dbraw/zinc/32/02/72/1072320272.db2.gz HDIXNDZUWUYNLL-UHFFFAOYSA-N 0 0 428.426 -0.092 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c(=O)n1C ZINC000604434478 1072320297 /nfs/dbraw/zinc/32/02/97/1072320297.db2.gz UTNDLZMJEWQDPU-UHFFFAOYSA-N 0 0 446.441 -0.608 20 30 IBEDRN N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000604469632 1072320826 /nfs/dbraw/zinc/32/08/26/1072320826.db2.gz ACPMUISATDXJLO-HNNXBMFYSA-N 0 0 426.520 -0.832 20 30 IBEDRN N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000604469633 1072320926 /nfs/dbraw/zinc/32/09/26/1072320926.db2.gz ACPMUISATDXJLO-OAHLLOKOSA-N 0 0 426.520 -0.832 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)cc(C)c2)c(=O)n1CC(=O)N(C)C ZINC000604472883 1072320902 /nfs/dbraw/zinc/32/09/02/1072320902.db2.gz VQJXUQPPYVBGGH-UHFFFAOYSA-N 0 0 442.541 -0.119 20 30 IBEDRN CC(C)NS(=O)(=O)CCNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000604505986 1072321924 /nfs/dbraw/zinc/32/19/24/1072321924.db2.gz UHKWOXAYCBNJFE-UHFFFAOYSA-N 0 0 443.551 -0.098 20 30 IBEDRN CC(=O)NC1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 ZINC000604522725 1072321374 /nfs/dbraw/zinc/32/13/74/1072321374.db2.gz NHUOBMMDJHUDKT-UHFFFAOYSA-N 0 0 433.534 -0.008 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)C1=O ZINC000604527332 1072321784 /nfs/dbraw/zinc/32/17/84/1072321784.db2.gz QMEAHZOAKBCSLQ-UHFFFAOYSA-N 0 0 435.418 -0.083 20 30 IBEDRN CS(=O)(=O)N1CCN(CCNC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)CC1 ZINC000604536988 1072321855 /nfs/dbraw/zinc/32/18/55/1072321855.db2.gz APFGOHVCFRXBEN-UHFFFAOYSA-N 0 0 434.566 -0.037 20 30 IBEDRN Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)N(CCC#N)CCN1CCOCC1 ZINC000604538396 1072321813 /nfs/dbraw/zinc/32/18/13/1072321813.db2.gz CJLFXQQCYKHQMF-UHFFFAOYSA-N 0 0 439.538 -0.266 20 30 IBEDRN N#CCCN(CCN1CCOCC1)C(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 ZINC000604538471 1072321910 /nfs/dbraw/zinc/32/19/10/1072321910.db2.gz OGCBMYBDEQIVNS-UHFFFAOYSA-N 0 0 426.495 -0.011 20 30 IBEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@H](NS(C)(=O)=O)C2)cc1 ZINC000604927860 1072330472 /nfs/dbraw/zinc/33/04/72/1072330472.db2.gz WYUQMZVQFLWXBR-AWEZNQCLSA-N 0 0 444.535 -0.418 20 30 IBEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)cc1 ZINC000604927861 1072330386 /nfs/dbraw/zinc/33/03/86/1072330386.db2.gz WYUQMZVQFLWXBR-CQSZACIVSA-N 0 0 444.535 -0.418 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)NCc2cccc(S(=O)(=O)NCCOC)c2)C1=O ZINC000605136832 1072333671 /nfs/dbraw/zinc/33/36/71/1072333671.db2.gz PUQDZVWPJDBLJS-UHFFFAOYSA-N 0 0 438.462 -0.796 20 30 IBEDRN C=CCNC(=O)c1ccc(NC(=O)C(=O)NCCN2CCN(S(C)(=O)=O)CC2)cc1 ZINC000605242482 1072337829 /nfs/dbraw/zinc/33/78/29/1072337829.db2.gz HUYISBOXMKTJGD-UHFFFAOYSA-N 0 0 437.522 -0.766 20 30 IBEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCO[C@@H](CNC(C)=O)C2)cc1 ZINC000605251785 1072339173 /nfs/dbraw/zinc/33/91/73/1072339173.db2.gz SPJWCLWUKWSHLQ-INIZCTEOSA-N 0 0 438.506 -0.205 20 30 IBEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCO[C@H](CNC(C)=O)C2)cc1 ZINC000605251786 1070802546 /nfs/dbraw/zinc/80/25/46/1070802546.db2.gz SPJWCLWUKWSHLQ-MRXNPFEDSA-N 0 0 438.506 -0.205 20 30 IBEDRN C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CC(=O)N(CCN3CCOCC3)C2)cc1 ZINC000605378900 1072343687 /nfs/dbraw/zinc/34/36/87/1072343687.db2.gz VGUZTCJZVWPNNC-KRWDZBQOSA-N 0 0 436.534 -0.186 20 30 IBEDRN C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CC(=O)N(CCN3CCOCC3)C2)cc1 ZINC000605378901 1072343851 /nfs/dbraw/zinc/34/38/51/1072343851.db2.gz VGUZTCJZVWPNNC-QGZVFWFLSA-N 0 0 436.534 -0.186 20 30 IBEDRN C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CC(=O)N(CCN3CCOCC3)C2)c1 ZINC000605379448 1072344343 /nfs/dbraw/zinc/34/43/43/1072344343.db2.gz ZPOKTHQLMQZZBB-KRWDZBQOSA-N 0 0 436.534 -0.186 20 30 IBEDRN C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CC(=O)N(CCN3CCOCC3)C2)c1 ZINC000605379449 1072344428 /nfs/dbraw/zinc/34/44/28/1072344428.db2.gz ZPOKTHQLMQZZBB-QGZVFWFLSA-N 0 0 436.534 -0.186 20 30 IBEDRN C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c1 ZINC000605438490 1072348836 /nfs/dbraw/zinc/34/88/36/1072348836.db2.gz HPYALPGFJXDIOT-DLBZAZTESA-N 0 0 443.547 -0.622 20 30 IBEDRN C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c1 ZINC000605438508 1072348604 /nfs/dbraw/zinc/34/86/04/1072348604.db2.gz HPYALPGFJXDIOT-IAGOWNOFSA-N 0 0 443.547 -0.622 20 30 IBEDRN C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c1 ZINC000605438511 1072348765 /nfs/dbraw/zinc/34/87/65/1072348765.db2.gz HPYALPGFJXDIOT-IRXDYDNUSA-N 0 0 443.547 -0.622 20 30 IBEDRN C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c1 ZINC000605438514 1072348821 /nfs/dbraw/zinc/34/88/21/1072348821.db2.gz HPYALPGFJXDIOT-SJORKVTESA-N 0 0 443.547 -0.622 20 30 IBEDRN C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)cc1 ZINC000606019214 1072357686 /nfs/dbraw/zinc/35/76/86/1072357686.db2.gz OCUINWUCNILEJA-UHFFFAOYSA-N 0 0 442.476 -0.118 20 30 IBEDRN C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)N(C)C)CC2)cc1 ZINC000606031863 1072359062 /nfs/dbraw/zinc/35/90/62/1072359062.db2.gz NBPQWKPZFCYEMK-UHFFFAOYSA-N 0 0 438.510 -0.117 20 30 IBEDRN C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NCC(=O)N2CCC[C@H]2C(=O)NC)cc1 ZINC000606125493 1072368233 /nfs/dbraw/zinc/36/82/33/1072368233.db2.gz RBLOCDUDRLUHKE-HNNXBMFYSA-N 0 0 430.465 -0.214 20 30 IBEDRN C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NCC(=O)N2CCC[C@@H]2C(=O)NC)cc1 ZINC000606125494 1072368243 /nfs/dbraw/zinc/36/82/43/1072368243.db2.gz RBLOCDUDRLUHKE-OAHLLOKOSA-N 0 0 430.465 -0.214 20 30 IBEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)NCC(=O)N[C@@H](C)c2ccc(F)cc2)c1=O ZINC000607759082 1072390044 /nfs/dbraw/zinc/39/00/44/1072390044.db2.gz UWAXRIOZMSKEAB-AWEZNQCLSA-N 0 0 445.451 -0.324 20 30 IBEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)NCC(=O)N[C@H](C)c2ccc(F)cc2)c1=O ZINC000607759083 1072390056 /nfs/dbraw/zinc/39/00/56/1072390056.db2.gz UWAXRIOZMSKEAB-CQSZACIVSA-N 0 0 445.451 -0.324 20 30 IBEDRN CS(=O)(=O)NCCn1c(=O)c(=Cc2ccc(C#N)o2)sc1=C(C#N)C(=O)C1CCC1 ZINC000608474725 1072397265 /nfs/dbraw/zinc/39/72/65/1072397265.db2.gz OXHLRFOLDBAECZ-UHFFFAOYSA-N 0 0 446.510 -0.204 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2C)c(=O)n1CC(=O)N(C)C ZINC000608778785 1072402659 /nfs/dbraw/zinc/40/26/59/1072402659.db2.gz QVAQYUNZMSXDGZ-UHFFFAOYSA-N 0 0 446.504 -0.289 20 30 IBEDRN Cn1c2ncc(NC(=O)C(=O)N3CCN(c4ccccc4C#N)CC3)cc2c(=O)n(C)c1=O ZINC000608796340 1072403201 /nfs/dbraw/zinc/40/32/01/1072403201.db2.gz UGXKKIKTBGASPK-UHFFFAOYSA-N 0 0 447.455 -0.209 20 30 IBEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000608828940 1072403911 /nfs/dbraw/zinc/40/39/11/1072403911.db2.gz SNPRVQRSNKGGGB-UHFFFAOYSA-N 0 0 434.481 -0.463 20 30 IBEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCCNC(=O)c3cnccn3)CC2)cc1 ZINC000608837902 1070881443 /nfs/dbraw/zinc/88/14/43/1070881443.db2.gz NKLCQOWWMJXGOP-UHFFFAOYSA-N 0 0 443.489 -0.206 20 30 IBEDRN Cc1ccc(C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)cc1S(=O)(=O)NCC#N ZINC000608869476 1072403816 /nfs/dbraw/zinc/40/38/16/1072403816.db2.gz RUSNQJRCEDLMCH-UHFFFAOYSA-N 0 0 449.533 -0.587 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(OC)nc1 ZINC000608884387 1072407641 /nfs/dbraw/zinc/40/76/41/1072407641.db2.gz ZHARMZQANBYCMU-UHFFFAOYSA-N 0 0 440.485 -0.698 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccc(OC)nc1 ZINC000608884494 1072407705 /nfs/dbraw/zinc/40/77/05/1072407705.db2.gz JVEMRCZQOBOEAV-UHFFFAOYSA-N 0 0 437.481 -0.037 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccncc2)c(=O)n1-c1ccc(OC)nc1 ZINC000608884737 1072404393 /nfs/dbraw/zinc/40/43/93/1072404393.db2.gz VGZBGJCDXKRCRJ-UHFFFAOYSA-N 0 0 437.481 -0.037 20 30 IBEDRN N#Cc1ccc(C(=O)NCC(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)cc1 ZINC000608889945 1072407653 /nfs/dbraw/zinc/40/76/53/1072407653.db2.gz OOALZOPEJAVWMS-UHFFFAOYSA-N 0 0 445.457 -0.487 20 30 IBEDRN CN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000608895643 1070887270 /nfs/dbraw/zinc/88/72/70/1070887270.db2.gz PJORSCSDENAVOF-INIZCTEOSA-N 0 0 440.547 -0.490 20 30 IBEDRN CN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000608895644 1072407678 /nfs/dbraw/zinc/40/76/78/1072407678.db2.gz PJORSCSDENAVOF-MRXNPFEDSA-N 0 0 440.547 -0.490 20 30 IBEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(C)c(OC)c(C)c2)c(=O)n1CC(N)=O ZINC000608910703 1072404440 /nfs/dbraw/zinc/40/44/40/1072404440.db2.gz FLNQNYUMKJAIHM-UHFFFAOYSA-N 0 0 426.498 -0.174 20 30 IBEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC(C)C)c2)c(=O)n1CC(N)=O ZINC000608910797 1072404341 /nfs/dbraw/zinc/40/43/41/1072404341.db2.gz NSXVXFNQBZDOJD-UHFFFAOYSA-N 0 0 426.498 -0.012 20 30 IBEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(SC)c(OC)c2)c(=O)n1CC(N)=O ZINC000608910830 1072404352 /nfs/dbraw/zinc/40/43/52/1072404352.db2.gz QHWVOIJMHQDEMN-UHFFFAOYSA-N 0 0 444.538 -0.069 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)c(OC)c(C)c2)c(=O)n1CC(N)=O ZINC000608910892 1072404433 /nfs/dbraw/zinc/40/44/33/1072404433.db2.gz VPDNIMRVWUORDB-UHFFFAOYSA-N 0 0 444.513 -0.714 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC(C)C)c2)c(=O)n1CC(N)=O ZINC000608910914 1072404463 /nfs/dbraw/zinc/40/44/63/1072404463.db2.gz XSBZECPHQZMFNB-UHFFFAOYSA-N 0 0 444.513 -0.552 20 30 IBEDRN CC(C)Oc1cccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CC(N)=O)c2=O)c1 ZINC000608910956 1072404953 /nfs/dbraw/zinc/40/49/53/1072404953.db2.gz YVVZEIVIHVPWHD-UHFFFAOYSA-N 0 0 426.498 -0.036 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(C)C)cc2)c(=O)n1CC(N)=O ZINC000608910989 1072405529 /nfs/dbraw/zinc/40/55/29/1072405529.db2.gz AQMBIGRIMBFMDY-UHFFFAOYSA-N 0 0 428.514 -0.216 20 30 IBEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(C)c2)c(=O)n1CC(N)=O ZINC000608911043 1072405589 /nfs/dbraw/zinc/40/55/89/1072405589.db2.gz FYLKIZYXRKZIQP-UHFFFAOYSA-N 0 0 444.513 -0.632 20 30 IBEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CC(N)=O)c2=O)cc1F ZINC000608911079 1072405572 /nfs/dbraw/zinc/40/55/72/1072405572.db2.gz IHEFJZCDTORNGD-UHFFFAOYSA-N 0 0 432.477 -0.182 20 30 IBEDRN COCCOc1cccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CC(N)=O)c2=O)c1 ZINC000608911082 1072405567 /nfs/dbraw/zinc/40/55/67/1072405567.db2.gz INLZNPHYLXKTMW-UHFFFAOYSA-N 0 0 444.513 -0.552 20 30 IBEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1CC(N)=O ZINC000608911088 1072405592 /nfs/dbraw/zinc/40/55/92/1072405592.db2.gz IVHWHTMSQOHVDY-UHFFFAOYSA-N 0 0 426.498 -0.251 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)s2)c(=O)n1CC(N)=O ZINC000608911099 1072405516 /nfs/dbraw/zinc/40/55/16/1072405516.db2.gz JIAVGSPEEOVLJA-UHFFFAOYSA-N 0 0 426.907 -0.624 20 30 IBEDRN CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1CC(N)=O ZINC000608911106 1072405559 /nfs/dbraw/zinc/40/55/59/1072405559.db2.gz JTVQOBBVWWBYSG-UHFFFAOYSA-N 0 0 426.498 -0.395 20 30 IBEDRN N#CC(C(=O)NC1CC1)=c1sc(=Cc2cccc(OC(F)F)c2)c(=O)n1CC(N)=O ZINC000608911107 1072405577 /nfs/dbraw/zinc/40/55/77/1072405577.db2.gz JYNQGESOMDCSQG-UHFFFAOYSA-N 0 0 434.424 -0.222 20 30 IBEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OCCOC)c2)c(=O)n1CC(N)=O ZINC000608911121 1072404939 /nfs/dbraw/zinc/40/49/39/1072404939.db2.gz LGELEPYKOFXSTP-UHFFFAOYSA-N 0 0 444.513 -0.550 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2c(F)cccc2Cl)c(=O)n1CC(N)=O ZINC000608911122 1072404933 /nfs/dbraw/zinc/40/49/33/1072404933.db2.gz LHAIIAJLPOXILP-UHFFFAOYSA-N 0 0 438.868 -0.547 20 30 IBEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OCCOC)c2)c(=O)n1CC(N)=O ZINC000608911132 1072404967 /nfs/dbraw/zinc/40/49/67/1072404967.db2.gz LTTFGLHWQJVXPX-UHFFFAOYSA-N 0 0 442.497 -0.774 20 30 IBEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(F)c2)c(=O)n1CC(N)=O ZINC000608911151 1072404962 /nfs/dbraw/zinc/40/49/62/1072404962.db2.gz MZZOUJSTFROQBU-UHFFFAOYSA-N 0 0 448.476 -0.801 20 30 IBEDRN N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1CC(N)=O ZINC000608911163 1072404970 /nfs/dbraw/zinc/40/49/70/1072404970.db2.gz OBAOABDEFOQOLV-UHFFFAOYSA-N 0 0 441.469 -0.135 20 30 IBEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CC(N)=O)c2=O)cc1C ZINC000608911177 1072404923 /nfs/dbraw/zinc/40/49/23/1072404923.db2.gz OSNKEUVGOHSOCR-UHFFFAOYSA-N 0 0 428.514 -0.013 20 30 IBEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CC(N)=O)c2=O)cc1F ZINC000608911180 1072404927 /nfs/dbraw/zinc/40/49/27/1072404927.db2.gz OWLVBTWLFOUXCQ-UHFFFAOYSA-N 0 0 430.461 -0.332 20 30 IBEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1CC(N)=O ZINC000608911189 1072404947 /nfs/dbraw/zinc/40/49/47/1072404947.db2.gz PWRLRVKZEXLGMW-UHFFFAOYSA-N 0 0 429.458 -0.277 20 30 IBEDRN Cc1cc(F)ccc1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(CC(N)=O)c1=O ZINC000608911200 1072405540 /nfs/dbraw/zinc/40/55/40/1072405540.db2.gz QZKNQSAWLMLWRF-UHFFFAOYSA-N 0 0 430.461 -0.796 20 30 IBEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cc3c(c(Cl)c2)OCO3)c(=O)n1CC(N)=O ZINC000608911205 1072405564 /nfs/dbraw/zinc/40/55/64/1072405564.db2.gz ROIVGWYLSWZGMM-UHFFFAOYSA-N 0 0 446.872 -0.418 20 30 IBEDRN CC(C)c1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CC(N)=O)c2=O)cc1 ZINC000608911231 1072405548 /nfs/dbraw/zinc/40/55/48/1072405548.db2.gz UGDCMVZYWVNHOO-UHFFFAOYSA-N 0 0 440.525 -0.120 20 30 IBEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)cc(C)c2)c(=O)n1CC(N)=O ZINC000608911235 1072405581 /nfs/dbraw/zinc/40/55/81/1072405581.db2.gz UTVWOXPIOALRKT-UHFFFAOYSA-N 0 0 428.514 -0.332 20 30 IBEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2cccc(Cl)c2)c(=O)n1CC(N)=O ZINC000608911239 1072405586 /nfs/dbraw/zinc/40/55/86/1072405586.db2.gz VDRWXCSWYCIGOT-UHFFFAOYSA-N 0 0 432.889 -0.590 20 30 IBEDRN CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1CC(N)=O ZINC000608911241 1072405526 /nfs/dbraw/zinc/40/55/26/1072405526.db2.gz VFNFZZQHBYRVHH-UHFFFAOYSA-N 0 0 429.458 -0.421 20 30 IBEDRN N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1CC(N)=O ZINC000608911243 1072405544 /nfs/dbraw/zinc/40/55/44/1072405544.db2.gz VKMRZTRCUKJRAA-UHFFFAOYSA-N 0 0 438.509 -0.108 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2csc3ccccc23)c(=O)n1CC(N)=O ZINC000608911267 1072404944 /nfs/dbraw/zinc/40/49/44/1072404944.db2.gz XHKHBSMKZSSAIA-UHFFFAOYSA-N 0 0 442.522 -0.125 20 30 IBEDRN Cc1cc(C)cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CC(N)=O)c2=O)c1 ZINC000608911282 1072404973 /nfs/dbraw/zinc/40/49/73/1072404973.db2.gz YMTXZSYUFZLFTJ-UHFFFAOYSA-N 0 0 426.498 -0.626 20 30 IBEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2cc3c(c(Cl)c2)OCO3)c(=O)n1CC(N)=O ZINC000608911305 1072404929 /nfs/dbraw/zinc/40/49/29/1072404929.db2.gz ZRQIDURQZKPHGA-UHFFFAOYSA-N 0 0 448.888 -0.195 20 30 IBEDRN COc1ccccc1C=c1sc(=C(C#N)C(=O)NC2CCCC2)n(CC(N)=O)c1=O ZINC000608911320 1072404914 /nfs/dbraw/zinc/40/49/14/1072404914.db2.gz ASQZJQMZEUWOSL-UHFFFAOYSA-N 0 0 426.498 -0.034 20 30 IBEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)s2)c(=O)n1CC(N)=O ZINC000608911336 1072404920 /nfs/dbraw/zinc/40/49/20/1072404920.db2.gz AQYXXZLHVLNYMM-UHFFFAOYSA-N 0 0 434.543 -0.189 20 30 IBEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OCCC)c2)c(=O)n1CC(N)=O ZINC000608911340 1072404979 /nfs/dbraw/zinc/40/49/79/1072404979.db2.gz AZZOMXFJNAQIDG-UHFFFAOYSA-N 0 0 426.498 -0.011 20 30 IBEDRN COC(=O)c1ccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CC(N)=O)c2=O)cc1 ZINC000608911342 1072404951 /nfs/dbraw/zinc/40/49/51/1072404951.db2.gz BMHXYVCJHJVRNJ-UHFFFAOYSA-N 0 0 442.497 -0.543 20 30 IBEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC(F)F)c(=O)n1CC(N)=O ZINC000608911356 1072404936 /nfs/dbraw/zinc/40/49/36/1072404936.db2.gz BYQYFKGUDGETDD-UHFFFAOYSA-N 0 0 434.424 -0.198 20 30 IBEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(=O)OC)cc2)c(=O)n1CC(N)=O ZINC000608911396 1072404905 /nfs/dbraw/zinc/40/49/05/1072404905.db2.gz DJPVWUZSCZHFHX-UHFFFAOYSA-N 0 0 442.497 -0.399 20 30 IBEDRN Cc1ccc(C)c(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CC(N)=O)c2=O)c1 ZINC000608911401 1072404911 /nfs/dbraw/zinc/40/49/11/1072404911.db2.gz DLLWPWGEAKXUPW-UHFFFAOYSA-N 0 0 426.498 -0.626 20 30 IBEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1CC(N)=O ZINC000608911402 1072404982 /nfs/dbraw/zinc/40/49/82/1072404982.db2.gz DMELFIXGYXSYIE-UHFFFAOYSA-N 0 0 429.458 -0.277 20 30 IBEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC)c(=O)n1CC(N)=O ZINC000608911403 1072405991 /nfs/dbraw/zinc/40/59/91/1072405991.db2.gz DOBHPZOKQNEKCN-UHFFFAOYSA-N 0 0 444.513 -0.550 20 30 IBEDRN N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1CC(N)=O ZINC000608911408 1072406032 /nfs/dbraw/zinc/40/60/32/1072406032.db2.gz DVWFGWBRCFJITH-UHFFFAOYSA-N 0 0 427.442 -0.571 20 30 IBEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(F)cc3)c(=O)n2CC(N)=O)CC1 ZINC000608911410 1072406048 /nfs/dbraw/zinc/40/60/48/1072406048.db2.gz DXNGSVIEFNYKQR-UHFFFAOYSA-N 0 0 443.504 -0.799 20 30 IBEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CC(N)=O)c2=O)cc1C ZINC000608911426 1072406039 /nfs/dbraw/zinc/40/60/39/1072406039.db2.gz DCKVZJYUUVACCD-UHFFFAOYSA-N 0 0 442.497 -0.926 20 30 IBEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3sccc3C)c(=O)n2CC(N)=O)CC1 ZINC000608911446 1072406053 /nfs/dbraw/zinc/40/60/53/1072406053.db2.gz FZVDFBBZCOKTRF-UHFFFAOYSA-N 0 0 445.570 -0.568 20 30 IBEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CC(N)=O)c2=O)cc1C ZINC000608911449 1072405996 /nfs/dbraw/zinc/40/59/96/1072405996.db2.gz FHQBFTNNONQYCQ-UHFFFAOYSA-N 0 0 426.498 -0.162 20 30 IBEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccccc3C)c(=O)n2CC(N)=O)CC1 ZINC000608911459 1072406484 /nfs/dbraw/zinc/40/64/84/1072406484.db2.gz GMCMXIPABBBKHK-UHFFFAOYSA-N 0 0 439.541 -0.629 20 30 IBEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccsc3)c(=O)n2CC(N)=O)CC1 ZINC000608911463 1072406549 /nfs/dbraw/zinc/40/65/49/1072406549.db2.gz GSBXEILFPGGITC-UHFFFAOYSA-N 0 0 431.543 -0.876 20 30 IBEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(F)c2)c(=O)n1CC(N)=O ZINC000608911470 1072406531 /nfs/dbraw/zinc/40/65/31/1072406531.db2.gz FIZYVVYITPBAQX-UHFFFAOYSA-N 0 0 436.440 -0.671 20 30 IBEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(Br)cc2)c(=O)n1CC(N)=O ZINC000608911471 1072406647 /nfs/dbraw/zinc/40/66/47/1072406647.db2.gz HCYAKTKNKLNCLV-UHFFFAOYSA-N 0 0 447.314 -0.037 20 30 IBEDRN CCCOc1cccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CC(N)=O)c2=O)c1 ZINC000608911498 1072406619 /nfs/dbraw/zinc/40/66/19/1072406619.db2.gz GNJDRHJDSYOULW-UHFFFAOYSA-N 0 0 426.498 -0.034 20 30 IBEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccc(Cl)cc2)c(=O)n1CC(N)=O ZINC000608911512 1072406606 /nfs/dbraw/zinc/40/66/06/1072406606.db2.gz HLYRGJUWHFCEPR-UHFFFAOYSA-N 0 0 432.889 -0.590 20 30 IBEDRN N#CC(C(=O)NC1CC1)=c1sc(=Cc2cccc(Br)c2)c(=O)n1CC(N)=O ZINC000608911517 1072406563 /nfs/dbraw/zinc/40/65/63/1072406563.db2.gz HPXCBXVZFIFWIB-UHFFFAOYSA-N 0 0 447.314 -0.061 20 30 IBEDRN N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccc(OC(F)F)cc2)c(=O)n1CC(N)=O ZINC000608911533 1072406653 /nfs/dbraw/zinc/40/66/53/1072406653.db2.gz IHSCUCYAHSWSJI-UHFFFAOYSA-N 0 0 434.424 -0.222 20 30 IBEDRN COc1cccc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(CC(N)=O)c2=O)c1 ZINC000608911549 1072406029 /nfs/dbraw/zinc/40/60/29/1072406029.db2.gz IWOWBXLIKQYVAL-UHFFFAOYSA-N 0 0 426.498 -0.034 20 30 IBEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(SC)cc2)c(=O)n1CC(N)=O ZINC000608911568 1072406037 /nfs/dbraw/zinc/40/60/37/1072406037.db2.gz JVZPDISGJAFJJX-UHFFFAOYSA-N 0 0 446.554 -0.227 20 30 IBEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cccc(F)c3)c(=O)n2CC(N)=O)CC1 ZINC000608911577 1072406062 /nfs/dbraw/zinc/40/60/62/1072406062.db2.gz KBMAEQVXCKKKRH-UHFFFAOYSA-N 0 0 443.504 -0.799 20 30 IBEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2)c(=O)n1CC(N)=O ZINC000608911582 1072406002 /nfs/dbraw/zinc/40/60/02/1072406002.db2.gz KGCHZSHOMWLVQV-UHFFFAOYSA-N 0 0 430.486 -0.941 20 30 IBEDRN Cc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CC(N)=O)c2=O)c(C)c1 ZINC000608911606 1072406034 /nfs/dbraw/zinc/40/60/34/1072406034.db2.gz LNJMSGZXBRLQGO-UHFFFAOYSA-N 0 0 426.498 -0.626 20 30 IBEDRN CSc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CC(N)=O)c2=O)cc1 ZINC000608911626 1072406045 /nfs/dbraw/zinc/40/60/45/1072406045.db2.gz MCIVYWCVXYOHFK-UHFFFAOYSA-N 0 0 444.538 -0.521 20 30 IBEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)cc2)c(=O)n1CC(N)=O ZINC000608911635 1072406059 /nfs/dbraw/zinc/40/60/59/1072406059.db2.gz NEHQKCGEBSRZFN-UHFFFAOYSA-N 0 0 434.905 -0.296 20 30 IBEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CC(N)=O)c2=O)c(Cl)c1 ZINC000608911685 1072405982 /nfs/dbraw/zinc/40/59/82/1072405982.db2.gz IOCCPJLXOYVYHM-UHFFFAOYSA-N 0 0 432.889 -0.161 20 30 IBEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccc3ncccc3c2)c(=O)n1CC(N)=O ZINC000608911731 1072405536 /nfs/dbraw/zinc/40/55/36/1072405536.db2.gz JUKZYIQEBDZHRR-UHFFFAOYSA-N 0 0 449.492 -0.695 20 30 IBEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccc(F)cc2F)c(=O)n1CC(N)=O ZINC000608911750 1072406023 /nfs/dbraw/zinc/40/60/23/1072406023.db2.gz KCKRBOATUJFYAX-UHFFFAOYSA-N 0 0 434.424 -0.965 20 30 IBEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccccc3)c(=O)n2CC(N)=O)CC1 ZINC000608911757 1072406007 /nfs/dbraw/zinc/40/60/07/1072406007.db2.gz HCUUOPBTUFELBY-UHFFFAOYSA-N 0 0 425.514 -0.938 20 30 IBEDRN COC(=O)c1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CC(N)=O)c2=O)cc1 ZINC000608911803 1072406019 /nfs/dbraw/zinc/40/60/19/1072406019.db2.gz QCNOSAHKJONIOL-UHFFFAOYSA-N 0 0 440.481 -0.693 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(SC)cc2)c(=O)n1CC(N)=O ZINC000608911808 1072406041 /nfs/dbraw/zinc/40/60/41/1072406041.db2.gz QEAMGJYPYZCAPM-UHFFFAOYSA-N 0 0 432.527 -0.617 20 30 IBEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2)c(=O)n1CC(N)=O ZINC000608911832 1072406026 /nfs/dbraw/zinc/40/60/26/1072406026.db2.gz RUNOTVYRDNBAFR-UHFFFAOYSA-N 0 0 432.477 -0.420 20 30 IBEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2Cl)c(=O)n1CC(N)=O ZINC000608911840 1072406016 /nfs/dbraw/zinc/40/60/16/1072406016.db2.gz ICDMHDVNFPTGBO-UHFFFAOYSA-N 0 0 434.905 -0.296 20 30 IBEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2)c(=O)n1CC(N)=O ZINC000608911845 1072405521 /nfs/dbraw/zinc/40/55/21/1072405521.db2.gz SIRFIIXQWMVUFU-UHFFFAOYSA-N 0 0 430.486 -0.941 20 30 IBEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC)c(=O)n1CC(N)=O ZINC000608911846 1072405596 /nfs/dbraw/zinc/40/55/96/1072405596.db2.gz SJOPAZIWENODOV-UHFFFAOYSA-N 0 0 430.486 -0.941 20 30 IBEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2)c(=O)n1CC(N)=O ZINC000608911870 1072405557 /nfs/dbraw/zinc/40/55/57/1072405557.db2.gz UCXDOLARKUCLHB-UHFFFAOYSA-N 0 0 444.513 -0.550 20 30 IBEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(=O)OC)cc2)c(=O)n1CC(N)=O ZINC000608911878 1072405553 /nfs/dbraw/zinc/40/55/53/1072405553.db2.gz UQJZQWCTXRPYRC-UHFFFAOYSA-N 0 0 428.470 -0.789 20 30 IBEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2)c(=O)n1CC(N)=O ZINC000608911956 1072406636 /nfs/dbraw/zinc/40/66/36/1072406636.db2.gz WYQPQSNNPCUXBC-UHFFFAOYSA-N 0 0 428.514 -0.251 20 30 IBEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(CC(N)=O)c2=O)cc1 ZINC000608911962 1072406596 /nfs/dbraw/zinc/40/65/96/1072406596.db2.gz XARDBUDMYFXTGM-UHFFFAOYSA-N 0 0 426.498 -0.034 20 30 IBEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)ccc2C)c(=O)n1CC(N)=O ZINC000608911972 1072406574 /nfs/dbraw/zinc/40/65/74/1072406574.db2.gz XVPAAOQFXNMYTH-UHFFFAOYSA-N 0 0 428.514 -0.332 20 30 IBEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(Br)c2)c(=O)n1CC(N)=O ZINC000608911982 1072406560 /nfs/dbraw/zinc/40/65/60/1072406560.db2.gz YGCUXGMFXNBWJU-UHFFFAOYSA-N 0 0 447.314 -0.037 20 30 IBEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2sccc2C)c(=O)n1CC(N)=O ZINC000608911983 1072406542 /nfs/dbraw/zinc/40/65/42/1072406542.db2.gz YGKSFSSJCAKTNX-UHFFFAOYSA-N 0 0 434.543 -0.189 20 30 IBEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2)c(=O)n1CC(N)=O ZINC000608912009 1072407084 /nfs/dbraw/zinc/40/70/84/1072407084.db2.gz ZGDVZONBBCPRKT-UHFFFAOYSA-N 0 0 428.514 -0.251 20 30 IBEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccccc3F)c(=O)n2CC(N)=O)CC1 ZINC000608912012 1072407035 /nfs/dbraw/zinc/40/70/35/1072407035.db2.gz ZKXMOSOOYHFQFB-UHFFFAOYSA-N 0 0 443.504 -0.799 20 30 IBEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(C)s3)c(=O)n2CC(N)=O)CC1 ZINC000608912143 1072407105 /nfs/dbraw/zinc/40/71/05/1072407105.db2.gz NSOZUVSIZZRIRG-UHFFFAOYSA-N 0 0 445.570 -0.568 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc3ncccc3c2)c(=O)n1CC(N)=O ZINC000608912276 1072407092 /nfs/dbraw/zinc/40/70/92/1072407092.db2.gz QCWHXRCSVUYACY-UHFFFAOYSA-N 0 0 437.481 -0.791 20 30 IBEDRN CCOc1cccc(C=c2sc(=C(C#N)C(=O)NCCOC)n(CC(N)=O)c2=O)c1 ZINC000608912289 1072406962 /nfs/dbraw/zinc/40/69/62/1072406962.db2.gz QMEITRAPOCLZCX-UHFFFAOYSA-N 0 0 430.486 -0.941 20 30 IBEDRN N#CC(C(=O)N1CCCC1)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1CC(N)=O ZINC000608912346 1072407022 /nfs/dbraw/zinc/40/70/22/1072407022.db2.gz UMSQPPMLJOEZDM-UHFFFAOYSA-N 0 0 427.442 -0.571 20 30 IBEDRN CCOc1cccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CC(N)=O)c2=O)c1 ZINC000608912468 1072406949 /nfs/dbraw/zinc/40/69/49/1072406949.db2.gz SQURYDCQUBMZIN-UHFFFAOYSA-N 0 0 426.498 -0.081 20 30 IBEDRN Cc1cc(C)c(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CC(N)=O)c2=O)cc1C ZINC000608912529 1072407130 /nfs/dbraw/zinc/40/71/30/1072407130.db2.gz UTQQMFZVTLAJLW-UHFFFAOYSA-N 0 0 440.525 -0.318 20 30 IBEDRN N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1CC(N)=O ZINC000608912563 1072406973 /nfs/dbraw/zinc/40/69/73/1072406973.db2.gz ZPEFEOLIGUSRMG-UHFFFAOYSA-N 0 0 441.469 -0.135 20 30 IBEDRN N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccccc2Br)c(=O)n1CC(N)=O ZINC000608912690 1072407048 /nfs/dbraw/zinc/40/70/48/1072407048.db2.gz ZOAMCZTVDWFICL-UHFFFAOYSA-N 0 0 447.314 -0.061 20 30 IBEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1CCNS(C)(=O)=O ZINC000608912748 1072406641 /nfs/dbraw/zinc/40/66/41/1072406641.db2.gz AQWHZJORDNVGOW-UHFFFAOYSA-N 0 0 449.558 -0.727 20 30 IBEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1CCNS(C)(=O)=O ZINC000608912751 1072406630 /nfs/dbraw/zinc/40/66/30/1072406630.db2.gz AWDLMOZBWHLWKM-UHFFFAOYSA-N 0 0 432.527 -0.736 20 30 IBEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cccs2)c(=O)n1CCNS(C)(=O)=O ZINC000608912756 1072406612 /nfs/dbraw/zinc/40/66/12/1072406612.db2.gz BGFVRKTUSIXRMU-UHFFFAOYSA-N 0 0 440.572 -0.450 20 30 IBEDRN Cc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCNS(C)(=O)=O)c2=O)cc1 ZINC000608912801 1072406506 /nfs/dbraw/zinc/40/65/06/1072406506.db2.gz DSAWOXQELJXETG-UHFFFAOYSA-N 0 0 446.554 -0.451 20 30 IBEDRN CS(=O)(=O)NCCn1c(=O)c(=Cc2ccsc2)sc1=C(C#N)C(=O)NC1CC1 ZINC000608912828 1072406517 /nfs/dbraw/zinc/40/65/17/1072406517.db2.gz GQWIFXWGWSTYHB-UHFFFAOYSA-N 0 0 438.556 -0.698 20 30 IBEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccsc2)c(=O)n1CCNS(C)(=O)=O ZINC000608912862 1072406584 /nfs/dbraw/zinc/40/65/84/1072406584.db2.gz HQTLMXUDKIWBKC-UHFFFAOYSA-N 0 0 440.572 -0.452 20 30 IBEDRN Cc1cccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCNS(C)(=O)=O)c2=O)c1 ZINC000608912883 1072406662 /nfs/dbraw/zinc/40/66/62/1072406662.db2.gz HSGPBHMIKXGSCP-UHFFFAOYSA-N 0 0 446.554 -0.451 20 30 IBEDRN CS(=O)(=O)NCCn1c(=O)c(=Cc2ccccc2)sc1=C(C#N)C(=O)N1CCCC1 ZINC000608912926 1072407142 /nfs/dbraw/zinc/40/71/42/1072407142.db2.gz JUFDAKFQUNYAHM-UHFFFAOYSA-N 0 0 446.554 -0.416 20 30 IBEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2)c(=O)n1CCNS(C)(=O)=O ZINC000608912932 1072407077 /nfs/dbraw/zinc/40/70/77/1072407077.db2.gz LCMIVTHXGCUIPR-UHFFFAOYSA-N 0 0 446.554 -0.427 20 30 IBEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cccs2)c(=O)n1CCNS(C)(=O)=O ZINC000608912935 1072407136 /nfs/dbraw/zinc/40/71/36/1072407136.db2.gz LDJGGBOZEDEXLU-UHFFFAOYSA-N 0 0 438.556 -0.674 20 30 IBEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1CCNS(C)(=O)=O ZINC000608912948 1072407114 /nfs/dbraw/zinc/40/71/14/1072407114.db2.gz LPYGPPYRSUWFRI-UHFFFAOYSA-N 0 0 434.543 -0.513 20 30 IBEDRN Cc1cccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CCNS(C)(=O)=O)c2=O)c1 ZINC000608912959 1072407066 /nfs/dbraw/zinc/40/70/66/1072407066.db2.gz MOVWVCMUNNWLKR-UHFFFAOYSA-N 0 0 448.570 -0.205 20 30 IBEDRN CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1CCNS(C)(=O)=O ZINC000608913034 1072407121 /nfs/dbraw/zinc/40/71/21/1072407121.db2.gz OXFWPUAHYYGJJT-UHFFFAOYSA-N 0 0 449.558 -0.871 20 30 IBEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1CCNS(C)(=O)=O ZINC000608913048 1072407055 /nfs/dbraw/zinc/40/70/55/1072407055.db2.gz PTILWCPIJDLAGG-UHFFFAOYSA-N 0 0 448.570 -0.122 20 30 IBEDRN Cc1ccccc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(CCNS(C)(=O)=O)c1=O ZINC000608913058 1072407098 /nfs/dbraw/zinc/40/70/98/1072407098.db2.gz QEAJUCWROSMLSF-UHFFFAOYSA-N 0 0 446.554 -0.451 20 30 IBEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1CCNS(C)(=O)=O ZINC000608913076 1072407013 /nfs/dbraw/zinc/40/70/13/1072407013.db2.gz RBWKOTRVTYTATE-UHFFFAOYSA-N 0 0 434.543 -0.512 20 30 IBEDRN CS(=O)(=O)NCCn1c(=O)c(=Cc2cccs2)sc1=C(C#N)C(=O)NC1CC1 ZINC000608913114 1072407694 /nfs/dbraw/zinc/40/76/94/1072407694.db2.gz VAUYFUZMLFBAOR-UHFFFAOYSA-N 0 0 438.556 -0.698 20 30 IBEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccsc2)c(=O)n1CCNS(C)(=O)=O ZINC000608913116 1072407593 /nfs/dbraw/zinc/40/75/93/1072407593.db2.gz VEVCANVLXIPZPC-UHFFFAOYSA-N 0 0 440.572 -0.450 20 30 IBEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccsc2)c(=O)n1CCNS(C)(=O)=O ZINC000608913137 1072407622 /nfs/dbraw/zinc/40/76/22/1072407622.db2.gz XYQFEAHMXIXJOE-UHFFFAOYSA-N 0 0 438.556 -0.674 20 30 IBEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2C)c(=O)n1CCNS(C)(=O)=O ZINC000608913139 1072407546 /nfs/dbraw/zinc/40/75/46/1072407546.db2.gz YAUFMKNWGDRSEV-UHFFFAOYSA-N 0 0 446.554 -0.427 20 30 IBEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2cccs2)c(=O)n1CCNS(C)(=O)=O ZINC000608913140 1072407687 /nfs/dbraw/zinc/40/76/87/1072407687.db2.gz YBSWUWSEVPNSSV-UHFFFAOYSA-N 0 0 440.572 -0.452 20 30 IBEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2)c(=O)n1CCNS(C)(=O)=O ZINC000608913144 1072407665 /nfs/dbraw/zinc/40/76/65/1072407665.db2.gz YJIYDEWTDGPHQM-UHFFFAOYSA-N 0 0 448.570 -0.203 20 30 IBEDRN Cc1ccccc1C=c1sc(=C(C#N)C(=O)NC(C)C)n(CCNS(C)(=O)=O)c1=O ZINC000608913146 1072407673 /nfs/dbraw/zinc/40/76/73/1072407673.db2.gz YLGQQSZYORNULC-UHFFFAOYSA-N 0 0 448.570 -0.205 20 30 IBEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2)c(=O)n1CCNS(C)(=O)=O ZINC000608913153 1072407598 /nfs/dbraw/zinc/40/75/98/1072407598.db2.gz ZKIWCXYRHTYOGP-UHFFFAOYSA-N 0 0 446.554 -0.427 20 30 IBEDRN Cc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CCNS(C)(=O)=O)c2=O)cc1 ZINC000608913159 1072406993 /nfs/dbraw/zinc/40/69/93/1072406993.db2.gz ZZOUXGSGHDNFNE-UHFFFAOYSA-N 0 0 448.570 -0.205 20 30 IBEDRN N#Cc1cnn(-c2ccc(C(=O)N3CCN(S(=O)(=O)N4CCOCC4)CC3)cc2)c1N ZINC000608925665 1072407631 /nfs/dbraw/zinc/40/76/31/1072407631.db2.gz VTLOSWDLSCHGQP-UHFFFAOYSA-N 0 0 445.505 -0.339 20 30 IBEDRN N#Cc1cnn(-c2ccc(C(=O)N3CCN(C(=O)CN4C(=O)CCC4=O)CC3)cc2)c1N ZINC000608925906 1072407626 /nfs/dbraw/zinc/40/76/26/1072407626.db2.gz JBPWEPWGRRTTDD-UHFFFAOYSA-N 0 0 435.444 -0.240 20 30 IBEDRN Cn1c2ncn(CCC(=O)NC3CCN(c4ccc(C#N)cn4)CC3)c2c(=O)n(C)c1=O ZINC000608951225 1072408238 /nfs/dbraw/zinc/40/82/38/1072408238.db2.gz ZXRAYXMWFREZPB-UHFFFAOYSA-N 0 0 436.476 -0.124 20 30 IBEDRN CS(=O)(=O)N1CCN(CCNC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC1 ZINC000608994527 1072408610 /nfs/dbraw/zinc/40/86/10/1072408610.db2.gz QMOVSMQWMJLGBM-UHFFFAOYSA-N 0 0 435.554 -0.202 20 30 IBEDRN COc1cc([C@@H](C#N)NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc(OC)c1OC ZINC000609006494 1072408223 /nfs/dbraw/zinc/40/82/23/1072408223.db2.gz IPPIRIXWSPOSFF-GFCCVEGCSA-N 0 0 442.432 -0.159 20 30 IBEDRN COc1cc([C@H](C#N)NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc(OC)c1OC ZINC000609006501 1072408161 /nfs/dbraw/zinc/40/81/61/1072408161.db2.gz IPPIRIXWSPOSFF-LBPRGKRZSA-N 0 0 442.432 -0.159 20 30 IBEDRN COc1cc([C@@H](C#N)NC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)cc(OC)c1OC ZINC000609006691 1072408220 /nfs/dbraw/zinc/40/82/20/1072408220.db2.gz QVGFOXGAMJEUGP-GFCCVEGCSA-N 0 0 442.432 -0.159 20 30 IBEDRN COc1cc([C@H](C#N)NC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)cc(OC)c1OC ZINC000609006693 1072408185 /nfs/dbraw/zinc/40/81/85/1072408185.db2.gz QVGFOXGAMJEUGP-LBPRGKRZSA-N 0 0 442.432 -0.159 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CCc1cccnc1 ZINC000609038411 1072408819 /nfs/dbraw/zinc/40/88/19/1072408819.db2.gz OQZDZEMCLSAYAQ-UHFFFAOYSA-N 0 0 438.513 -0.453 20 30 IBEDRN N#CC(C(=O)N1CCCC1)=c1sc(=Cc2cc(F)c(F)c(F)c2)c(=O)n1CC(N)=O ZINC000609074318 1072440037 /nfs/dbraw/zinc/44/00/37/1072440037.db2.gz AWRSBGNRLCMVAT-UHFFFAOYSA-N 0 0 436.415 -0.062 20 30 IBEDRN CNC(=O)CN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 ZINC000609096014 1072459950 /nfs/dbraw/zinc/45/99/50/1072459950.db2.gz BEFHRYYIGFXCDJ-UHFFFAOYSA-N 0 0 433.534 -0.151 20 30 IBEDRN N#Cc1ccc(N2C(=O)C[C@H](N3CCN(S(=O)(=O)N4CCOCC4)CC3)C2=O)cc1 ZINC000609121588 1072527108 /nfs/dbraw/zinc/52/71/08/1072527108.db2.gz HQRHPJFXNWYEJH-KRWDZBQOSA-N 0 0 433.490 -0.615 20 30 IBEDRN N#Cc1ccc(N2C(=O)C[C@@H](N3CCN(S(=O)(=O)N4CCOCC4)CC3)C2=O)cc1 ZINC000609121591 1070891202 /nfs/dbraw/zinc/89/12/02/1070891202.db2.gz HQRHPJFXNWYEJH-QGZVFWFLSA-N 0 0 433.490 -0.615 20 30 IBEDRN CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000609125833 1070891634 /nfs/dbraw/zinc/89/16/34/1070891634.db2.gz ZSMRSIFLUREVAA-GOSISDBHSA-N 0 0 447.517 -0.482 20 30 IBEDRN CC(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000609125834 1070891591 /nfs/dbraw/zinc/89/15/91/1070891591.db2.gz ZSMRSIFLUREVAA-SFHVURJKSA-N 0 0 447.517 -0.482 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)Nc2cccc(S(=O)(=O)NCC(=O)OC)c2)C1=O ZINC000609164352 1072621512 /nfs/dbraw/zinc/62/15/12/1072621512.db2.gz LVMKRWIIEXBYAR-UHFFFAOYSA-N 0 0 438.418 -0.947 20 30 IBEDRN CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)CNC(=O)c2ccc(C#N)cc2)c1 ZINC000609203226 1072632892 /nfs/dbraw/zinc/63/28/92/1072632892.db2.gz STNKPFMUZMTBRA-UHFFFAOYSA-N 0 0 429.458 -0.049 20 30 IBEDRN CNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(C)c2)c(=O)n1CCN1CCOCC1 ZINC000609220277 1072705248 /nfs/dbraw/zinc/70/52/48/1072705248.db2.gz BXPVVUYPJKOTMN-UHFFFAOYSA-N 0 0 430.505 -0.061 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(C)c2)c(=O)n1CC(=O)N(C)C ZINC000609220351 1072705269 /nfs/dbraw/zinc/70/52/69/1072705269.db2.gz VQFDNICQAKVQBS-UHFFFAOYSA-N 0 0 446.504 -0.289 20 30 IBEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(C)c2)c(=O)n1CC(N)=O ZINC000609220726 1072705199 /nfs/dbraw/zinc/70/51/99/1072705199.db2.gz CIPPXGGGELRKAM-UHFFFAOYSA-N 0 0 446.504 -0.112 20 30 IBEDRN CC1(C)Cc2cc(C=c3sc(=C(C#N)C(=O)NC4CC4)n(CC(N)=O)c3=O)ccc2O1 ZINC000609220738 1072705216 /nfs/dbraw/zinc/70/52/16/1072705216.db2.gz DIDVDPYNKFCPAN-UHFFFAOYSA-N 0 0 438.509 -0.110 20 30 IBEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(C)c2)c(=O)n1CC(N)=O ZINC000609220871 1072704732 /nfs/dbraw/zinc/70/47/32/1072704732.db2.gz MRPHPWYLLPIKSH-UHFFFAOYSA-N 0 0 432.477 -0.502 20 30 IBEDRN Cc1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CC(N)=O)c2=O)ccc1F ZINC000609220902 1072704719 /nfs/dbraw/zinc/70/47/19/1072704719.db2.gz QFTOQQHYWNRFHW-UHFFFAOYSA-N 0 0 430.461 -0.796 20 30 IBEDRN N#C[C@H]1CN(c2ccc(S(=O)(=O)NCCN3CCOCC3)cc2[N+](=O)[O-])CCO1 ZINC000609269025 1072794075 /nfs/dbraw/zinc/79/40/75/1072794075.db2.gz IBVLLIFDPRBTLR-AWEZNQCLSA-N 0 0 425.467 -0.066 20 30 IBEDRN N#C[C@@H]1CN(c2ccc(S(=O)(=O)NCCN3CCOCC3)cc2[N+](=O)[O-])CCO1 ZINC000609269026 1072794211 /nfs/dbraw/zinc/79/42/11/1072794211.db2.gz IBVLLIFDPRBTLR-CQSZACIVSA-N 0 0 425.467 -0.066 20 30 IBEDRN N#C[C@H]1CN(C(=O)Nc2ccc(S(=O)(=O)N[C@H]3CCS(=O)(=O)C3)cc2)CCO1 ZINC000609281131 1072821767 /nfs/dbraw/zinc/82/17/67/1072821767.db2.gz HTIWSWOISNXBJK-KBPBESRZSA-N 0 0 428.492 -0.092 20 30 IBEDRN N#C[C@H]1CN(C(=O)Nc2ccc(S(=O)(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)CCO1 ZINC000609281132 1072822326 /nfs/dbraw/zinc/82/23/26/1072822326.db2.gz HTIWSWOISNXBJK-KGLIPLIRSA-N 0 0 428.492 -0.092 20 30 IBEDRN N#C[C@@H]1CN(C(=O)Nc2ccc(S(=O)(=O)N[C@H]3CCS(=O)(=O)C3)cc2)CCO1 ZINC000609281133 1072822311 /nfs/dbraw/zinc/82/23/11/1072822311.db2.gz HTIWSWOISNXBJK-UONOGXRCSA-N 0 0 428.492 -0.092 20 30 IBEDRN N#C[C@@H]1CN(C(=O)Nc2ccc(S(=O)(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)CCO1 ZINC000609281134 1072822240 /nfs/dbraw/zinc/82/22/40/1072822240.db2.gz HTIWSWOISNXBJK-ZIAGYGMSSA-N 0 0 428.492 -0.092 20 30 IBEDRN CCN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)N3CCO[C@@H](C#N)C3)c2)CC1 ZINC000609282646 1072828538 /nfs/dbraw/zinc/82/85/38/1072828538.db2.gz DBOLHUGHXBDGBX-INIZCTEOSA-N 0 0 435.506 -0.298 20 30 IBEDRN CCN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)N3CCO[C@H](C#N)C3)c2)CC1 ZINC000609282647 1072828649 /nfs/dbraw/zinc/82/86/49/1072828649.db2.gz DBOLHUGHXBDGBX-MRXNPFEDSA-N 0 0 435.506 -0.298 20 30 IBEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CC(N)=O)c2=O)cc1[N+](=O)[O-] ZINC000609311525 1072939552 /nfs/dbraw/zinc/93/95/52/1072939552.db2.gz BDCIMLNFZWABAT-UHFFFAOYSA-N 0 0 445.457 -0.660 20 30 IBEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CC(N)=O)c2=O)cc1[N+](=O)[O-] ZINC000609311592 1072939615 /nfs/dbraw/zinc/93/96/15/1072939615.db2.gz JXJBXZQPKIGALG-UHFFFAOYSA-N 0 0 443.441 -0.906 20 30 IBEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OCCOC)cc2)c(=O)n1CC(N)=O ZINC000609333608 1070904450 /nfs/dbraw/zinc/90/44/50/1070904450.db2.gz UBEXZMKYXXFEDU-UHFFFAOYSA-N 0 0 444.513 -0.550 20 30 IBEDRN COCCOc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CC(N)=O)c2=O)cc1 ZINC000609333624 1070904412 /nfs/dbraw/zinc/90/44/12/1070904412.db2.gz WIOSVBDTADEYKA-UHFFFAOYSA-N 0 0 444.513 -0.552 20 30 IBEDRN COCCOc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CC(N)=O)c2=O)cc1 ZINC000609333626 1070904425 /nfs/dbraw/zinc/90/44/25/1070904425.db2.gz WMHUHASIMYBDBN-UHFFFAOYSA-N 0 0 442.497 -0.798 20 30 IBEDRN N#CCN1CCC(NS(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 ZINC000609334458 1072963092 /nfs/dbraw/zinc/96/30/92/1072963092.db2.gz YKCNNOJFFFZXPE-UHFFFAOYSA-N 0 0 428.536 -0.026 20 30 IBEDRN N#CCN1CCC(NC(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)CC1 ZINC000609337757 1072962961 /nfs/dbraw/zinc/96/29/61/1072962961.db2.gz GLAJBOKKPXMPFH-UHFFFAOYSA-N 0 0 435.554 -0.179 20 30 IBEDRN C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)NC3CCN(CC#N)CC3)CC2)C[C@H](C)O1 ZINC000609338309 1072962795 /nfs/dbraw/zinc/96/27/95/1072962795.db2.gz YTNGWBNNRQBLCC-HOTGVXAUSA-N 0 0 428.559 -0.344 20 30 IBEDRN C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)NC3CCN(CC#N)CC3)CC2)C[C@@H](C)O1 ZINC000609338310 1072962891 /nfs/dbraw/zinc/96/28/91/1072962891.db2.gz YTNGWBNNRQBLCC-HZPDHXFCSA-N 0 0 428.559 -0.344 20 30 IBEDRN C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)NC3CCN(CC#N)CC3)CC2)C[C@H](C)O1 ZINC000609338311 1072963072 /nfs/dbraw/zinc/96/30/72/1072963072.db2.gz YTNGWBNNRQBLCC-IYBDPMFKSA-N 0 0 428.559 -0.344 20 30 IBEDRN N#CCN1CCC(NC(=O)C(=O)N2C[C@@H](C(=O)N3CCOCC3)Oc3ccccc32)CC1 ZINC000609342404 1072963129 /nfs/dbraw/zinc/96/31/29/1072963129.db2.gz WPUVQNHVZODZBP-IBGZPJMESA-N 0 0 441.488 -0.256 20 30 IBEDRN N#CCN1CCC(NC(=O)C(=O)N2C[C@H](C(=O)N3CCOCC3)Oc3ccccc32)CC1 ZINC000609342405 1072962898 /nfs/dbraw/zinc/96/28/98/1072962898.db2.gz WPUVQNHVZODZBP-LJQANCHMSA-N 0 0 441.488 -0.256 20 30 IBEDRN CC(=O)N1CCN(C(=O)CCNC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 ZINC000609346909 1070905278 /nfs/dbraw/zinc/90/52/78/1070905278.db2.gz UZCNTRIIEDDYGX-UHFFFAOYSA-N 0 0 435.506 -0.311 20 30 IBEDRN CC(=O)N1CCN(C(=O)CCNC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000609346948 1072963063 /nfs/dbraw/zinc/96/30/63/1072963063.db2.gz YFTVVRXSNPYYPK-UHFFFAOYSA-N 0 0 435.506 -0.624 20 30 IBEDRN N#Cc1ccccc1S(=O)(=O)N1CCN([C@H]2CC(=O)N(c3cnccn3)C2=O)CC1 ZINC000609354173 1070905715 /nfs/dbraw/zinc/90/57/15/1070905715.db2.gz QVIRVXYYFIZIOY-HNNXBMFYSA-N 0 0 426.458 -0.013 20 30 IBEDRN N#Cc1ccccc1S(=O)(=O)N1CCN([C@@H]2CC(=O)N(c3cnccn3)C2=O)CC1 ZINC000609354174 1070905808 /nfs/dbraw/zinc/90/58/08/1070905808.db2.gz QVIRVXYYFIZIOY-OAHLLOKOSA-N 0 0 426.458 -0.013 20 30 IBEDRN Cc1ccc(C(=O)N2CCN(S(=O)(=O)N(C)C)CC2)cc1S(=O)(=O)NCC#N ZINC000609412065 1071106457 /nfs/dbraw/zinc/10/64/57/1071106457.db2.gz OHXYGDMLIVTBKG-UHFFFAOYSA-N 0 0 429.524 -0.639 20 30 IBEDRN Cc1ccc(C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)cc1S(=O)(=O)NCC#N ZINC000609412221 1072964004 /nfs/dbraw/zinc/96/40/04/1072964004.db2.gz DOPTYVDJTQYVLA-UHFFFAOYSA-N 0 0 447.517 -0.296 20 30 IBEDRN Cc1ccc(C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)cc1S(=O)(=O)NCC#N ZINC000609412400 1072964001 /nfs/dbraw/zinc/96/40/01/1072964001.db2.gz JPZKMIBEEOGPKA-UHFFFAOYSA-N 0 0 433.490 -0.640 20 30 IBEDRN Cc1ccc(C(=O)N2CCN(C(=O)C(=O)NC(C)C)CC2)cc1S(=O)(=O)NCC#N ZINC000609412517 1071106710 /nfs/dbraw/zinc/10/67/10/1071106710.db2.gz VEOJWKMNPUEPBB-UHFFFAOYSA-N 0 0 435.506 -0.394 20 30 IBEDRN Cc1ccc(C(=O)NCCN2CCN(S(C)(=O)=O)CC2)cc1S(=O)(=O)NCC#N ZINC000609412992 1072963990 /nfs/dbraw/zinc/96/39/90/1072963990.db2.gz QHYVPIWBKYXZPO-UHFFFAOYSA-N 0 0 443.551 -0.896 20 30 IBEDRN CCc1ccc(C=c2sc(=C(C#N)C(=O)NCCOC)n(CC(=O)N(C)C)c2=O)s1 ZINC000609416731 1071114406 /nfs/dbraw/zinc/11/44/06/1071114406.db2.gz GQOQERSIWSFZJF-UHFFFAOYSA-N 0 0 448.570 -0.112 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2C)c(=O)n1CC(=O)N(C)C ZINC000609416801 1072963944 /nfs/dbraw/zinc/96/39/44/1072963944.db2.gz MKGVTNJXWITTPY-UHFFFAOYSA-N 0 0 442.541 -0.119 20 30 IBEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)c(F)c2)c(=O)n1CC(N)=O ZINC000609450618 1072964433 /nfs/dbraw/zinc/96/44/33/1072964433.db2.gz OMURQPWSJLIVGT-UHFFFAOYSA-N 0 0 432.477 -0.502 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)c(F)c2)c(=O)n1CC(=O)N(C)C ZINC000609450854 1072964512 /nfs/dbraw/zinc/96/45/12/1072964512.db2.gz YHAFWLUMKKBMNQ-UHFFFAOYSA-N 0 0 446.504 -0.289 20 30 IBEDRN CC(C)(CNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)NS(C)(=O)=O ZINC000609468296 1072965106 /nfs/dbraw/zinc/96/51/06/1072965106.db2.gz YZQLOQZEJYUAIV-UHFFFAOYSA-N 0 0 443.551 -0.098 20 30 IBEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCCS(=O)(=O)CC2)CC1 ZINC000609493524 1072966244 /nfs/dbraw/zinc/96/62/44/1072966244.db2.gz DHOLRHJBZGZZCJ-UHFFFAOYSA-N 0 0 440.547 -0.488 20 30 IBEDRN COC(=O)CN(CCN1CCOCC1)C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 ZINC000609525167 1072967211 /nfs/dbraw/zinc/96/72/11/1072967211.db2.gz KIIRDUBKMXGNLJ-UHFFFAOYSA-N 0 0 438.506 -0.487 20 30 IBEDRN COCCNC(=O)CN1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 ZINC000609530256 1072967326 /nfs/dbraw/zinc/96/73/26/1072967326.db2.gz GAVADYHSKCZFQR-UHFFFAOYSA-N 0 0 437.522 -0.601 20 30 IBEDRN Cn1c(=O)c(=Cc2ccc(S(C)(=O)=O)cc2)sc1=C(C#N)C(=O)N1CCSCC1 ZINC000609563901 1072968321 /nfs/dbraw/zinc/96/83/21/1072968321.db2.gz QFUQFOSZGINGAG-UHFFFAOYSA-N 0 0 449.579 -0.071 20 30 IBEDRN Cc1cc(C=c2sc(=C(C#N)C(=O)N3CCSCC3)n(CC(N)=O)c2=O)ccc1F ZINC000609563916 1072968368 /nfs/dbraw/zinc/96/83/68/1072968368.db2.gz BIHXZBZDQHFHOE-UHFFFAOYSA-N 0 0 446.529 -0.079 20 30 IBEDRN N#CC(C(=O)N1CCSCC1)=c1sc(=Cc2ccccc2F)c(=O)n1CC(N)=O ZINC000609563918 1072968342 /nfs/dbraw/zinc/96/83/42/1072968342.db2.gz BNLRXSVXHSRDNC-UHFFFAOYSA-N 0 0 432.502 -0.387 20 30 IBEDRN CN(C)C(=O)Cn1c(=O)c(=Cc2ccccn2)sc1=C(C#N)C(=O)N1CCSCC1 ZINC000609563920 1072549468 /nfs/dbraw/zinc/54/94/68/1072549468.db2.gz BQXZJYPQCKSGSV-UHFFFAOYSA-N 0 0 443.554 -0.529 20 30 IBEDRN Cc1ccccc1C=c1sc(=C(C#N)C(=O)N2CCSCC2)n(CC(N)=O)c1=O ZINC000609563928 1072968261 /nfs/dbraw/zinc/96/82/61/1072968261.db2.gz CRAAQNKNPJIAEH-UHFFFAOYSA-N 0 0 428.539 -0.218 20 30 IBEDRN COc1ccccc1C=c1sc(=C(C#N)C(=O)N2CCSCC2)n(CC(N)=O)c1=O ZINC000609563964 1072968354 /nfs/dbraw/zinc/96/83/54/1072968354.db2.gz ICAKDGGDUSQWRF-UHFFFAOYSA-N 0 0 444.538 -0.518 20 30 IBEDRN CCOCCn1c(=O)c(=Cc2ccnn2C)sc1=C(C#N)C(=O)N1CCSCC1 ZINC000609564005 1072968346 /nfs/dbraw/zinc/96/83/46/1072968346.db2.gz LRBDZCGHCVREGA-UHFFFAOYSA-N 0 0 433.559 -0.242 20 30 IBEDRN Cc1ccc(C=c2sc(=C(C#N)C(=O)N3CCSCC3)n(CC(N)=O)c2=O)s1 ZINC000609564018 1072968388 /nfs/dbraw/zinc/96/83/88/1072968388.db2.gz OLUNXVUAMALUKN-UHFFFAOYSA-N 0 0 434.568 -0.157 20 30 IBEDRN Cc1ccc(C=c2sc(=C(C#N)C(=O)N3CCSCC3)n(CC(N)=O)c2=O)cc1 ZINC000609564032 1072967872 /nfs/dbraw/zinc/96/78/72/1072967872.db2.gz QYCBYQIDWHAIMZ-UHFFFAOYSA-N 0 0 428.539 -0.218 20 30 IBEDRN Cc1cc(F)ccc1C=c1sc(=C(C#N)C(=O)N2CCSCC2)n(CC(N)=O)c1=O ZINC000609564041 1072967884 /nfs/dbraw/zinc/96/78/84/1072967884.db2.gz TVLZLFMRPPEQJT-UHFFFAOYSA-N 0 0 446.529 -0.079 20 30 IBEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)N3CCSCC3)n(CC(N)=O)c2=O)cc1 ZINC000609564046 1072967830 /nfs/dbraw/zinc/96/78/30/1072967830.db2.gz UNNYRZHRGXKNPC-UHFFFAOYSA-N 0 0 444.538 -0.518 20 30 IBEDRN N#CC(C(=O)N1CCSCC1)=c1sc(=Cc2cccc(F)c2)c(=O)n1CC(N)=O ZINC000609564055 1072967753 /nfs/dbraw/zinc/96/77/53/1072967753.db2.gz ZDESODMSOMWRQW-UHFFFAOYSA-N 0 0 432.502 -0.387 20 30 IBEDRN CCc1ccc(C=c2sc(=C(C#N)C(=O)N3CCS(=O)(=O)CC3)n(C)c2=O)s1 ZINC000609570783 1072968286 /nfs/dbraw/zinc/96/82/86/1072968286.db2.gz IMDHIEWIUKVFET-UHFFFAOYSA-N 0 0 437.568 -0.169 20 30 IBEDRN Cn1c(=O)c(=Cc2cccc(F)c2F)sc1=C(C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000609570794 1072968370 /nfs/dbraw/zinc/96/83/70/1072968370.db2.gz VPAUNLHBJOYPBR-UHFFFAOYSA-N 0 0 439.465 -0.515 20 30 IBEDRN CS(=O)(=O)N1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000609600222 1072969321 /nfs/dbraw/zinc/96/93/21/1072969321.db2.gz LULIKFWYJCCYKC-INIZCTEOSA-N 0 0 426.520 -0.185 20 30 IBEDRN CS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000609600223 1072969305 /nfs/dbraw/zinc/96/93/05/1072969305.db2.gz LULIKFWYJCCYKC-MRXNPFEDSA-N 0 0 426.520 -0.185 20 30 IBEDRN CS(=O)(=O)N1CCN(CCNC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)CC1 ZINC000609627044 1072970407 /nfs/dbraw/zinc/97/04/07/1072970407.db2.gz ZZBJAHSZKXREBA-IBGZPJMESA-N 0 0 434.566 -0.017 20 30 IBEDRN CS(=O)(=O)N1CCN(CCNC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)CC1 ZINC000609627045 1072970266 /nfs/dbraw/zinc/97/02/66/1072970266.db2.gz ZZBJAHSZKXREBA-LJQANCHMSA-N 0 0 434.566 -0.017 20 30 IBEDRN Cn1c(N2CCN(C(=O)c3cccc(S(C)(=O)=O)c3)CC2)c(C#N)c(=O)n(C)c1=O ZINC000609670952 1072970863 /nfs/dbraw/zinc/97/08/63/1072970863.db2.gz UKUMHLSEQIIPGN-UHFFFAOYSA-N 0 0 431.474 -0.678 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)ccc2F)c(=O)n1CC(=O)N(C)C ZINC000609739179 1072973126 /nfs/dbraw/zinc/97/31/26/1072973126.db2.gz FSOSUOONWPZNEB-UHFFFAOYSA-N 0 0 446.504 -0.289 20 30 IBEDRN Cc1ccc(F)c(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CC(N)=O)c2=O)c1 ZINC000609739275 1072973110 /nfs/dbraw/zinc/97/31/10/1072973110.db2.gz PBPXWHHVMSHBNW-UHFFFAOYSA-N 0 0 430.461 -0.796 20 30 IBEDRN CN(CC(=O)Nc1ccn(CC(=O)N2CCOCC2)n1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000609756719 1073310236 /nfs/dbraw/zinc/31/02/36/1073310236.db2.gz RQLAMDZXDVIGSP-UHFFFAOYSA-N 0 0 446.489 -0.127 20 30 IBEDRN CC(=O)NC[C@@H]1CN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCO1 ZINC000609799735 1072973753 /nfs/dbraw/zinc/97/37/53/1072973753.db2.gz GCMOMBDQRVFNGW-GOSISDBHSA-N 0 0 449.533 -0.772 20 30 IBEDRN CC(=O)NC[C@H]1CN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCO1 ZINC000609799736 1072973710 /nfs/dbraw/zinc/97/37/10/1072973710.db2.gz GCMOMBDQRVFNGW-SFHVURJKSA-N 0 0 449.533 -0.772 20 30 IBEDRN CS(=O)(=O)N1CCN(CCNC(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)CC1 ZINC000609811416 1072975845 /nfs/dbraw/zinc/97/58/45/1072975845.db2.gz FYRISTAHLMEHHQ-UHFFFAOYSA-N 0 0 445.448 -0.208 20 30 IBEDRN CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000609811626 1072975665 /nfs/dbraw/zinc/97/56/65/1072975665.db2.gz MSZHOZVIKKXJFR-UHFFFAOYSA-N 0 0 437.522 -0.023 20 30 IBEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2c(Cl)cccc2OC)c(=O)n1CC(N)=O ZINC000609822480 1072974257 /nfs/dbraw/zinc/97/42/57/1072974257.db2.gz CCOLCLFPNORDAY-UHFFFAOYSA-N 0 0 432.889 -0.138 20 30 IBEDRN COc1cccc(Cl)c1C=c1sc(=C(C#N)C(=O)NC2CC2)n(CC(N)=O)c1=O ZINC000609822642 1072608332 /nfs/dbraw/zinc/60/83/32/1072608332.db2.gz PNLSPEZCJXQSDX-UHFFFAOYSA-N 0 0 432.889 -0.161 20 30 IBEDRN N#Cc1ccc(C(=O)NCC(=O)NC2CCN(S(=O)(=O)N3CCOCC3)CC2)cc1 ZINC000609827428 1072974712 /nfs/dbraw/zinc/97/47/12/1072974712.db2.gz LZIDASQJQMGBQT-UHFFFAOYSA-N 0 0 435.506 -0.554 20 30 IBEDRN Cc1ccc(C(=O)N[C@H]2CC(=O)N(CCN3CCOCC3)C2)cc1S(=O)(=O)NCC#N ZINC000609836016 1072974088 /nfs/dbraw/zinc/97/40/88/1072974088.db2.gz DWUHAAAPHYRJRP-KRWDZBQOSA-N 0 0 449.533 -0.540 20 30 IBEDRN Cc1ccc(C(=O)N[C@@H]2CC(=O)N(CCN3CCOCC3)C2)cc1S(=O)(=O)NCC#N ZINC000609836017 1072609950 /nfs/dbraw/zinc/60/99/50/1072609950.db2.gz DWUHAAAPHYRJRP-QGZVFWFLSA-N 0 0 449.533 -0.540 20 30 IBEDRN CN(CC(=O)N[C@H]1CC(=O)N(CCN2CCOCC2)C1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000609836170 1072610569 /nfs/dbraw/zinc/61/05/69/1072610569.db2.gz QRFRGGCSSIRTGK-KRWDZBQOSA-N 0 0 449.533 -0.772 20 30 IBEDRN CN(CC(=O)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000609836171 1072975082 /nfs/dbraw/zinc/97/50/82/1072975082.db2.gz QRFRGGCSSIRTGK-QGZVFWFLSA-N 0 0 449.533 -0.772 20 30 IBEDRN C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000609836610 1072610620 /nfs/dbraw/zinc/61/06/20/1072610620.db2.gz PCZRBQXFYGPCCI-DOTOQJQBSA-N 0 0 434.518 -0.227 20 30 IBEDRN C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000609836611 1072974609 /nfs/dbraw/zinc/97/46/09/1072974609.db2.gz PCZRBQXFYGPCCI-NVXWUHKLSA-N 0 0 434.518 -0.227 20 30 IBEDRN C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC000609836612 1072974639 /nfs/dbraw/zinc/97/46/39/1072974639.db2.gz PCZRBQXFYGPCCI-RDJZCZTQSA-N 0 0 434.518 -0.227 20 30 IBEDRN C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC000609836613 1072974762 /nfs/dbraw/zinc/97/47/62/1072974762.db2.gz PCZRBQXFYGPCCI-WBVHZDCISA-N 0 0 434.518 -0.227 20 30 IBEDRN N#Cc1ccc(CS(=O)(=O)CC(=O)N[C@@H]2CC(=O)N(CCN3CCOCC3)C2)cc1 ZINC000609855405 1072976873 /nfs/dbraw/zinc/97/68/73/1072976873.db2.gz OCABVMGHOUZSKG-GOSISDBHSA-N 0 0 434.518 -0.478 20 30 IBEDRN N#Cc1ccc(CS(=O)(=O)CC(=O)N[C@H]2CC(=O)N(CCN3CCOCC3)C2)cc1 ZINC000609855406 1072976943 /nfs/dbraw/zinc/97/69/43/1072976943.db2.gz OCABVMGHOUZSKG-SFHVURJKSA-N 0 0 434.518 -0.478 20 30 IBEDRN CN(CC(=O)N1CCN(c2ccc3nncn3n2)CC1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000609884881 1072977959 /nfs/dbraw/zinc/97/79/59/1072977959.db2.gz MJQUPTISWNUPDB-UHFFFAOYSA-N 0 0 440.489 -0.035 20 30 IBEDRN COc1ccc(C(=O)NCCN2CCN(c3c(C#N)c(=O)n(C)c(=O)n3C)CC2)cc1 ZINC000609914297 1072623868 /nfs/dbraw/zinc/62/38/68/1072623868.db2.gz PMRQYPUFNMENQO-UHFFFAOYSA-N 0 0 426.477 -0.484 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000609990040 1072981615 /nfs/dbraw/zinc/98/16/15/1072981615.db2.gz FWRPLVDNJCZIGN-UHFFFAOYSA-N 0 0 439.494 -0.338 20 30 IBEDRN COC(=O)CN(CC#N)C(=O)Cc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 ZINC000609992144 1072981923 /nfs/dbraw/zinc/98/19/23/1072981923.db2.gz QMSBFEVBFNJXAY-UHFFFAOYSA-N 0 0 425.463 -0.216 20 30 IBEDRN COC(=O)CN(CC#N)C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000609992227 1072981942 /nfs/dbraw/zinc/98/19/42/1072981942.db2.gz GPUWRUNXEYQYPO-UHFFFAOYSA-N 0 0 436.490 -0.175 20 30 IBEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OC(C)(C)C3)c(=O)n1CC(N)=O ZINC000610003798 1072981054 /nfs/dbraw/zinc/98/10/54/1072981054.db2.gz QCEYLDOHDIDRKS-UHFFFAOYSA-N 0 0 438.509 -0.086 20 30 IBEDRN CC1(C)Cc2cccc(C=c3sc(=C(C#N)C(=O)NC4CC4)n(CC(N)=O)c3=O)c2O1 ZINC000610004123 1072981061 /nfs/dbraw/zinc/98/10/61/1072981061.db2.gz ZXPZBWYWXFXWHL-UHFFFAOYSA-N 0 0 438.509 -0.110 20 30 IBEDRN CN(CC(=O)N1CCC[C@@H](CNS(N)(=O)=O)C1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000610061173 1072984120 /nfs/dbraw/zinc/98/41/20/1072984120.db2.gz WPPKHKNDYGZGAC-AWEZNQCLSA-N 0 0 429.524 -0.790 20 30 IBEDRN CN(CC(=O)N1CCC[C@H](CNS(N)(=O)=O)C1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000610061174 1072984028 /nfs/dbraw/zinc/98/40/28/1072984028.db2.gz WPPKHKNDYGZGAC-CQSZACIVSA-N 0 0 429.524 -0.790 20 30 IBEDRN CN1CCN(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3F)CC2)CC1 ZINC000610082248 1072985613 /nfs/dbraw/zinc/98/56/13/1072985613.db2.gz BLVUOKYWBZTNRN-UHFFFAOYSA-N 0 0 431.515 -0.504 20 30 IBEDRN C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000610090278 1072824194 /nfs/dbraw/zinc/82/41/94/1072824194.db2.gz XQHPIWDCIJSISW-GDBMZVCRSA-N 0 0 440.547 -0.444 20 30 IBEDRN C[C@@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000610090279 1072985553 /nfs/dbraw/zinc/98/55/53/1072985553.db2.gz XQHPIWDCIJSISW-GOEBONIOSA-N 0 0 440.547 -0.444 20 30 IBEDRN C[C@@H](C(=O)N[C@H]1CCS(=O)(=O)C1)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000610090280 1072985641 /nfs/dbraw/zinc/98/56/41/1072985641.db2.gz XQHPIWDCIJSISW-HOCLYGCPSA-N 0 0 440.547 -0.444 20 30 IBEDRN C[C@H](C(=O)N[C@H]1CCS(=O)(=O)C1)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000610090281 1072985518 /nfs/dbraw/zinc/98/55/18/1072985518.db2.gz XQHPIWDCIJSISW-ZBFHGGJFSA-N 0 0 440.547 -0.444 20 30 IBEDRN Cn1cc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c(=O)n(C)c1=O ZINC000610109218 1072829870 /nfs/dbraw/zinc/82/98/70/1072829870.db2.gz HFAGKQXPXKCPRM-UHFFFAOYSA-N 0 0 431.474 -0.005 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1=O ZINC000610117941 1072838090 /nfs/dbraw/zinc/83/80/90/1072838090.db2.gz HDGKUDDBMQUQOZ-UHFFFAOYSA-N 0 0 429.389 -0.144 20 30 IBEDRN CS(=O)(=O)CCCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000610134559 1072986422 /nfs/dbraw/zinc/98/64/22/1072986422.db2.gz MGTLMFCILUSWMJ-UHFFFAOYSA-N 0 0 435.549 -0.371 20 30 IBEDRN Cn1cc(S(=O)(=O)N2CCC(NC(=O)CNC(=O)c3ccc(C#N)cc3)CC2)cn1 ZINC000610162898 1072987186 /nfs/dbraw/zinc/98/71/86/1072987186.db2.gz RIPPRLBHJHEGTK-UHFFFAOYSA-N 0 0 430.490 -0.009 20 30 IBEDRN COCCNC(=O)Cn1cc(NC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)cn1 ZINC000610187504 1070808861 /nfs/dbraw/zinc/80/88/61/1070808861.db2.gz SVCNUEAKESRCCU-UHFFFAOYSA-N 0 0 434.478 -0.223 20 30 IBEDRN CN(CC(=O)Nc1cnn(CC(=O)N2CCOCC2)c1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000610199782 1070811599 /nfs/dbraw/zinc/81/15/99/1070811599.db2.gz LACCPDHIBCSUNO-UHFFFAOYSA-N 0 0 446.489 -0.127 20 30 IBEDRN CCNC(=O)N1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 ZINC000610217574 1070817510 /nfs/dbraw/zinc/81/75/10/1070817510.db2.gz JNTZMNKNOCFFRB-UHFFFAOYSA-N 0 0 448.549 -0.262 20 30 IBEDRN CCOC(=O)C=c1sc(=Cc2ccc(OC)c(C#N)c2)c(=O)n1CC(=O)NCCOC ZINC000610218487 1070817614 /nfs/dbraw/zinc/81/76/14/1070817614.db2.gz XCVUYZWKVQPKHB-UHFFFAOYSA-N 0 0 445.497 -0.275 20 30 IBEDRN C=CCNC(=O)NC(=O)CN1CCN(S(=O)(=O)c2cc(C(=O)OC)cs2)CC1 ZINC000610230866 1070821516 /nfs/dbraw/zinc/82/15/16/1070821516.db2.gz VCCMARCLKUYUIZ-UHFFFAOYSA-N 0 0 430.508 -0.147 20 30 IBEDRN Cc1nc(NC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)n(-c2ccc(C#N)cc2)n1 ZINC000610231787 1070823126 /nfs/dbraw/zinc/82/31/26/1070823126.db2.gz AFSGVNRRCPUEPG-UHFFFAOYSA-N 0 0 433.432 -0.355 20 30 IBEDRN CNC(=O)C(C#N)=c1sc(=Cc2ccc(COC)cc2)c(=O)n1CCN1CCOCC1 ZINC000610244885 1072863479 /nfs/dbraw/zinc/86/34/79/1072863479.db2.gz ROUVGKMYHFZSPD-UHFFFAOYSA-N 0 0 442.541 -0.363 20 30 IBEDRN COCc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CC(=O)N(C)C)c2=O)cc1 ZINC000610245027 1072863535 /nfs/dbraw/zinc/86/35/35/1072863535.db2.gz AAJIOOLWKJXMGT-UHFFFAOYSA-N 0 0 440.525 -0.074 20 30 IBEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(COC)cc2)c(=O)n1CC(N)=O ZINC000610245042 1070843330 /nfs/dbraw/zinc/84/33/30/1070843330.db2.gz CDMWWPUICIJOLS-UHFFFAOYSA-N 0 0 428.514 -0.039 20 30 IBEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CC(N)=O)c2=O)cc1C#N ZINC000610245056 1070843048 /nfs/dbraw/zinc/84/30/48/1070843048.db2.gz FVQLEWGWYNQFFK-UHFFFAOYSA-N 0 0 425.470 -0.697 20 30 IBEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(Cl)c2)c(=O)n1CC(N)=O ZINC000610245064 1072863604 /nfs/dbraw/zinc/86/36/04/1072863604.db2.gz GWJRGITWOQLRLQ-UHFFFAOYSA-N 0 0 432.889 -0.138 20 30 IBEDRN N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccc(OCC(F)F)cc2)c(=O)n1CC(N)=O ZINC000610245078 1070843303 /nfs/dbraw/zinc/84/33/03/1070843303.db2.gz KOWJQGPXNWUJDY-UHFFFAOYSA-N 0 0 448.451 -0.179 20 30 IBEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CC(N)=O)c2=O)cc1C#N ZINC000610245083 1070843719 /nfs/dbraw/zinc/84/37/19/1070843719.db2.gz NGCGZNDPRPOTAU-UHFFFAOYSA-N 0 0 437.481 -0.599 20 30 IBEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CC(N)=O)c2=O)cc1Cl ZINC000610245147 1070842953 /nfs/dbraw/zinc/84/29/53/1070842953.db2.gz YZBHQDUSRPMLTK-UHFFFAOYSA-N 0 0 432.889 -0.161 20 30 IBEDRN CNC(=O)C(C#N)=c1sc(=Cc2cccc(COC)c2)c(=O)n1CCN1CCOCC1 ZINC000610358116 1070909050 /nfs/dbraw/zinc/90/90/50/1070909050.db2.gz DMVLCUNBVJXLFC-UHFFFAOYSA-N 0 0 442.541 -0.363 20 30 IBEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(COC)c2)c(=O)n1CC(N)=O ZINC000610358199 1070908991 /nfs/dbraw/zinc/90/89/91/1070908991.db2.gz BVLLCJQNOJDUSA-UHFFFAOYSA-N 0 0 444.513 -0.803 20 30 IBEDRN CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1CC(=O)N(C)C ZINC000610358201 1070909212 /nfs/dbraw/zinc/90/92/12/1070909212.db2.gz DMCIDHYXXATFBL-UHFFFAOYSA-N 0 0 427.486 -0.262 20 30 IBEDRN COCc1cccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CC(=O)N(C)C)c2=O)c1 ZINC000610358210 1070909207 /nfs/dbraw/zinc/90/92/07/1070909207.db2.gz FTZXBOBKMVSJLK-UHFFFAOYSA-N 0 0 440.525 -0.074 20 30 IBEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1CC(=O)N(C)C ZINC000610358215 1070909122 /nfs/dbraw/zinc/90/91/22/1070909122.db2.gz HAZUDBVOLBDIFV-UHFFFAOYSA-N 0 0 443.485 -0.882 20 30 IBEDRN CN(C)C(=O)Cn1c(=O)c(=Cc2ccc(C#N)o2)sc1=C(C#N)C(=O)N1CCCC1 ZINC000610358220 1070909187 /nfs/dbraw/zinc/90/91/87/1070909187.db2.gz HOEOBTAJXHSFGI-UHFFFAOYSA-N 0 0 425.470 -0.412 20 30 IBEDRN COCc1cccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CC(N)=O)c2=O)c1 ZINC000610358232 1070909010 /nfs/dbraw/zinc/90/90/10/1070909010.db2.gz IMJYQOWAOSGMKH-UHFFFAOYSA-N 0 0 428.514 -0.183 20 30 IBEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1CC(=O)N(C)C ZINC000610358240 1070909042 /nfs/dbraw/zinc/90/90/42/1070909042.db2.gz LSHRWCJEJILNEG-UHFFFAOYSA-N 0 0 427.486 -0.118 20 30 IBEDRN COCc1cccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CC(N)=O)c2=O)c1 ZINC000610358255 1072871765 /nfs/dbraw/zinc/87/17/65/1072871765.db2.gz UTBUAWDBTZZEQW-UHFFFAOYSA-N 0 0 426.498 -0.333 20 30 IBEDRN N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)CC1 ZINC000610421192 1070921048 /nfs/dbraw/zinc/92/10/48/1070921048.db2.gz CFCGAKIZYNCBAO-KRWDZBQOSA-N 0 0 448.480 -0.060 20 30 IBEDRN N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)CC1 ZINC000610421193 1070921085 /nfs/dbraw/zinc/92/10/85/1070921085.db2.gz CFCGAKIZYNCBAO-QGZVFWFLSA-N 0 0 448.480 -0.060 20 30 IBEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1CC(=O)N(C)C ZINC000610500696 1070975153 /nfs/dbraw/zinc/97/51/53/1070975153.db2.gz KRRXWTNKTJEAHX-UHFFFAOYSA-N 0 0 429.527 -0.040 20 30 IBEDRN CN(C)C(=O)Cn1c(=O)c(=Cc2cc(C#N)cs2)sc1=C(C#N)C(=O)NC1CC1 ZINC000610500714 1070975077 /nfs/dbraw/zinc/97/50/77/1070975077.db2.gz RYCKEGCSBWHLKR-UHFFFAOYSA-N 0 0 427.511 -0.287 20 30 IBEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1CC(=O)N(C)C ZINC000610500720 1070974949 /nfs/dbraw/zinc/97/49/49/1070974949.db2.gz WLIVJTCQTPXGQU-UHFFFAOYSA-N 0 0 429.527 -0.041 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1CC(=O)N(C)C ZINC000610500721 1070975127 /nfs/dbraw/zinc/97/51/27/1070975127.db2.gz XEAJNBOTPHTZEA-UHFFFAOYSA-N 0 0 445.526 -0.803 20 30 IBEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)s2)c(=O)n1CC(=O)N(C)C ZINC000610503665 1070975638 /nfs/dbraw/zinc/97/56/38/1070975638.db2.gz ASKNKGJNXRHBSC-UHFFFAOYSA-N 0 0 429.527 -0.040 20 30 IBEDRN CN(C)C(=O)Cn1c(=O)c(=Cc2ccc(C#N)s2)sc1=C(C#N)C(=O)NC1CC1 ZINC000610503666 1070975784 /nfs/dbraw/zinc/97/57/84/1070975784.db2.gz BIUTUZVZGCHFKY-UHFFFAOYSA-N 0 0 427.511 -0.287 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)s2)c(=O)n1CC(=O)N(C)C ZINC000610503667 1070975767 /nfs/dbraw/zinc/97/57/67/1070975767.db2.gz CMCJSXSICBNRQR-UHFFFAOYSA-N 0 0 445.526 -0.803 20 30 IBEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)s2)c(=O)n1CC(=O)N(C)C ZINC000610503688 1070975622 /nfs/dbraw/zinc/97/56/22/1070975622.db2.gz VNDNSDRGXYJZHZ-UHFFFAOYSA-N 0 0 429.527 -0.041 20 30 IBEDRN CS(=O)(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C1 ZINC000610531272 1073351349 /nfs/dbraw/zinc/35/13/49/1073351349.db2.gz UFBFSNOTMWYBMD-HNNXBMFYSA-N 0 0 431.478 -0.323 20 30 IBEDRN CS(=O)(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C1 ZINC000610531273 1073350861 /nfs/dbraw/zinc/35/08/61/1073350861.db2.gz UFBFSNOTMWYBMD-OAHLLOKOSA-N 0 0 431.478 -0.323 20 30 IBEDRN CN(C)S(=O)(=O)N1CCN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)CC1 ZINC000610531335 1074356022 /nfs/dbraw/zinc/35/60/22/1074356022.db2.gz ZNROOHVPHQCZBL-UHFFFAOYSA-N 0 0 446.493 -0.913 20 30 IBEDRN N#Cc1nc(C2CC2)oc1N1CCN(CC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000610542585 1071000556 /nfs/dbraw/zinc/00/05/56/1071000556.db2.gz ALHWJHHCPGYXDT-CYBMUJFWSA-N 0 0 436.494 -0.441 20 30 IBEDRN N#Cc1nc(C2CC2)oc1N1CCN(CC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC000610542586 1071000540 /nfs/dbraw/zinc/00/05/40/1071000540.db2.gz ALHWJHHCPGYXDT-ZDUSSCGKSA-N 0 0 436.494 -0.441 20 30 IBEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccccc2C2CC2)c(=O)n1CC(N)=O ZINC000610574293 1071010908 /nfs/dbraw/zinc/01/09/08/1071010908.db2.gz CUTOPVYBQUDZPC-UHFFFAOYSA-N 0 0 438.509 -0.366 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2C2CC2)c(=O)n1CC(N)=O ZINC000610574298 1071010941 /nfs/dbraw/zinc/01/09/41/1071010941.db2.gz DNWYTYKUZUNAIJ-UHFFFAOYSA-N 0 0 426.498 -0.462 20 30 IBEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2C2CC2)c(=O)n1CC(N)=O ZINC000610574300 1071010812 /nfs/dbraw/zinc/01/08/12/1071010812.db2.gz DQFJQKBMJZODJM-UHFFFAOYSA-N 0 0 440.525 -0.072 20 30 IBEDRN CS(=O)(=O)N1CCN(S(=O)(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC1 ZINC000610657875 1071024271 /nfs/dbraw/zinc/02/42/71/1071024271.db2.gz ZRIDDKBYMNHMFE-UHFFFAOYSA-N 0 0 428.540 -0.666 20 30 IBEDRN CS(=O)(=O)N1CCN(S(=O)(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)CC1 ZINC000610657884 1071025185 /nfs/dbraw/zinc/02/51/85/1071025185.db2.gz GAJSLQQNLDXEBR-UHFFFAOYSA-N 0 0 444.539 -0.632 20 30 IBEDRN CN(C)C(=O)Cn1ccc(NC(=O)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)n1 ZINC000610664211 1073303498 /nfs/dbraw/zinc/30/34/98/1073303498.db2.gz FJYCVIGRHXFHMJ-UHFFFAOYSA-N 0 0 440.464 -0.004 20 30 IBEDRN C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000610683840 1071027906 /nfs/dbraw/zinc/02/79/06/1071027906.db2.gz SLPXYYUWJDLFCC-HNNXBMFYSA-N 0 0 436.542 -0.854 20 30 IBEDRN C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000610683841 1071027885 /nfs/dbraw/zinc/02/78/85/1071027885.db2.gz SLPXYYUWJDLFCC-OAHLLOKOSA-N 0 0 436.542 -0.854 20 30 IBEDRN CN(C)C(=O)Cn1cc(NC(=O)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)cn1 ZINC000610699131 1071028384 /nfs/dbraw/zinc/02/83/84/1071028384.db2.gz FSWUMICLUSZEQS-UHFFFAOYSA-N 0 0 440.464 -0.004 20 30 IBEDRN Cc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CC(=O)N(C)C)c2=O)nc1 ZINC000610769045 1071034378 /nfs/dbraw/zinc/03/43/78/1071034378.db2.gz AOYROKYNCDCJQM-UHFFFAOYSA-N 0 0 441.513 -0.937 20 30 IBEDRN Cc1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CC(=O)N(C)C)c2=O)nc1 ZINC000610769047 1071034297 /nfs/dbraw/zinc/03/42/97/1071034297.db2.gz CLYZSNBLTSKQRA-UHFFFAOYSA-N 0 0 425.514 -0.173 20 30 IBEDRN Cc1ccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CC(=O)N(C)C)c2=O)nc1 ZINC000610769051 1071034342 /nfs/dbraw/zinc/03/43/42/1071034342.db2.gz KUTWVFHRJXWPQM-UHFFFAOYSA-N 0 0 427.530 -0.023 20 30 IBEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cn2)c(=O)n1CC(=O)N(C)C ZINC000610769058 1071034278 /nfs/dbraw/zinc/03/42/78/1071034278.db2.gz WOEPVXNLIRSMLD-UHFFFAOYSA-N 0 0 443.529 -0.643 20 30 IBEDRN CCN1C(=O)[C@@H]2CN(C(=O)C(=O)Nc3ncn(Cc4ccc(C#N)cc4)n3)CCN2C1=O ZINC000610776529 1071034823 /nfs/dbraw/zinc/03/48/23/1071034823.db2.gz REQBVOWZFDLSNE-HNNXBMFYSA-N 0 0 436.432 -0.369 20 30 IBEDRN CCN1C(=O)[C@H]2CN(C(=O)C(=O)Nc3ncn(Cc4ccc(C#N)cc4)n3)CCN2C1=O ZINC000610776530 1071034914 /nfs/dbraw/zinc/03/49/14/1071034914.db2.gz REQBVOWZFDLSNE-OAHLLOKOSA-N 0 0 436.432 -0.369 20 30 IBEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CC(=O)N(C)C)c2=O)s1 ZINC000610784052 1071035980 /nfs/dbraw/zinc/03/59/80/1071035980.db2.gz FYTXPXDWFZZGOO-UHFFFAOYSA-N 0 0 432.527 -0.150 20 30 IBEDRN CCOc1cccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CC(=O)N(C)C)c2=O)n1 ZINC000610784063 1071035879 /nfs/dbraw/zinc/03/58/79/1071035879.db2.gz MUMFVPKZJOVNMZ-UHFFFAOYSA-N 0 0 443.529 -0.181 20 30 IBEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OCC)n2)c(=O)n1CC(=O)N(C)C ZINC000610784067 1071035972 /nfs/dbraw/zinc/03/59/72/1071035972.db2.gz QGAGCRIEHSEWMU-UHFFFAOYSA-N 0 0 443.529 -0.179 20 30 IBEDRN CCOc1cccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CC(=O)N(C)C)c2=O)n1 ZINC000610784074 1071035898 /nfs/dbraw/zinc/03/58/98/1071035898.db2.gz XVHZPCTVVCLUKI-UHFFFAOYSA-N 0 0 441.513 -0.427 20 30 IBEDRN C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(S(=O)(=O)N(C)C)CC1 ZINC000610798457 1071040444 /nfs/dbraw/zinc/04/04/44/1071040444.db2.gz IFEBOOJVFYVRHP-CYBMUJFWSA-N 0 0 429.524 -0.824 20 30 IBEDRN C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(S(=O)(=O)N(C)C)CC1 ZINC000610798458 1071040737 /nfs/dbraw/zinc/04/07/37/1071040737.db2.gz IFEBOOJVFYVRHP-ZDUSSCGKSA-N 0 0 429.524 -0.824 20 30 IBEDRN C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(S(=O)(=O)N(C)C)CC1 ZINC000610798476 1072876670 /nfs/dbraw/zinc/87/66/70/1072876670.db2.gz NWMGRXWDMLPINV-CYBMUJFWSA-N 0 0 429.524 -0.824 20 30 IBEDRN C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(S(=O)(=O)N(C)C)CC1 ZINC000610798477 1071040394 /nfs/dbraw/zinc/04/03/94/1071040394.db2.gz NWMGRXWDMLPINV-ZDUSSCGKSA-N 0 0 429.524 -0.824 20 30 IBEDRN COc1ccsc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(CC(=O)N(C)C)c1=O ZINC000610799877 1071041102 /nfs/dbraw/zinc/04/11/02/1071041102.db2.gz KCGZABZYDQMUNX-UHFFFAOYSA-N 0 0 432.527 -0.150 20 30 IBEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCN([C@H]3CCOC3)CC2)CC1 ZINC000610910011 1072877371 /nfs/dbraw/zinc/87/73/71/1072877371.db2.gz DIJTVDDZWZYELD-IBGZPJMESA-N 0 0 447.561 -0.202 20 30 IBEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCN([C@@H]3CCOC3)CC2)CC1 ZINC000610910012 1071044990 /nfs/dbraw/zinc/04/49/90/1071044990.db2.gz DIJTVDDZWZYELD-LJQANCHMSA-N 0 0 447.561 -0.202 20 30 IBEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cscc2Cl)c(=O)n1CC(N)=O ZINC000610928746 1071045544 /nfs/dbraw/zinc/04/55/44/1071045544.db2.gz FNPVCNAWGFXDSK-UHFFFAOYSA-N 0 0 440.934 -0.234 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cscc2Cl)c(=O)n1CC(N)=O ZINC000610928774 1071045650 /nfs/dbraw/zinc/04/56/50/1071045650.db2.gz KNAXTZICKVSDFV-UHFFFAOYSA-N 0 0 426.907 -0.624 20 30 IBEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2cscc2Cl)c(=O)n1CC(N)=O ZINC000610928898 1072877768 /nfs/dbraw/zinc/87/77/68/1072877768.db2.gz WKUAYAFABGSXAQ-UHFFFAOYSA-N 0 0 438.918 -0.528 20 30 IBEDRN Cn1c(=O)c(=Cc2cscc2Cl)sc1=C(C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000610929080 1071045061 /nfs/dbraw/zinc/04/50/61/1071045061.db2.gz ZOISZFSTJUTGOX-UHFFFAOYSA-N 0 0 443.959 -0.078 20 30 IBEDRN N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCN(CC(=O)N3CCCCC3)CC2)cc1 ZINC000610932923 1071045718 /nfs/dbraw/zinc/04/57/18/1071045718.db2.gz XSMXDUGNRJTSTP-UHFFFAOYSA-N 0 0 433.534 -0.007 20 30 IBEDRN CC(C)Oc1ccc(NC(=O)C(=O)NCCN2CCN(S(C)(=O)=O)CC2)cc1C#N ZINC000610937860 1071045600 /nfs/dbraw/zinc/04/56/00/1071045600.db2.gz FLVOPKJOXUJCNU-UHFFFAOYSA-N 0 0 437.522 -0.023 20 30 IBEDRN Cn1c(=O)c(=Cc2coc3ccccc23)sc1=C(C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000610955220 1071046253 /nfs/dbraw/zinc/04/62/53/1071046253.db2.gz XTUGIVASFQEOHO-UHFFFAOYSA-N 0 0 443.506 -0.047 20 30 IBEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2coc3ccccc23)c(=O)n1CC(N)=O ZINC000610955644 1071046040 /nfs/dbraw/zinc/04/60/40/1071046040.db2.gz LCSVOSQEMAOZTN-UHFFFAOYSA-N 0 0 438.465 -0.497 20 30 IBEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2coc3ccccc23)c(=O)n1CC(N)=O ZINC000610955668 1071046097 /nfs/dbraw/zinc/04/60/97/1071046097.db2.gz PRPPNHAPBUSGDH-UHFFFAOYSA-N 0 0 440.481 -0.203 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2coc3ccccc23)c(=O)n1CC(N)=O ZINC000610955699 1071046300 /nfs/dbraw/zinc/04/63/00/1071046300.db2.gz VJEZXWDYMGNSPS-UHFFFAOYSA-N 0 0 426.454 -0.593 20 30 IBEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2CC)c(=O)n1CC(=O)N(C)C ZINC000611078590 1073365567 /nfs/dbraw/zinc/36/55/67/1073365567.db2.gz OCQGTANXAUKRKH-UHFFFAOYSA-N 0 0 430.534 -0.366 20 30 IBEDRN CCn1nccc1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(CC(=O)N(C)C)c1=O ZINC000611078625 1073365519 /nfs/dbraw/zinc/36/55/19/1073365519.db2.gz VUKZRRRKRZBZAU-UHFFFAOYSA-N 0 0 428.518 -0.660 20 30 IBEDRN CCn1nccc1C=c1sc(=C(C#N)C(=O)NCC(C)C)n(CC(=O)N(C)C)c1=O ZINC000611078633 1073365621 /nfs/dbraw/zinc/36/56/21/1073365621.db2.gz YBEJSYYEOATKFN-UHFFFAOYSA-N 0 0 430.534 -0.510 20 30 IBEDRN CCn1nccc1C=c1sc(=C(C#N)C(=O)NC2CCCC2)n(CC(=O)N(C)C)c1=O ZINC000611078636 1073365551 /nfs/dbraw/zinc/36/55/51/1073365551.db2.gz ZIUPVQNRXDXINL-UHFFFAOYSA-N 0 0 442.545 -0.224 20 30 IBEDRN CN1CCN(S(=O)(=O)N2CCN(CCS(=O)(=O)c3cccc(C#N)c3)CC2)CC1 ZINC000611088858 1073365064 /nfs/dbraw/zinc/36/50/64/1073365064.db2.gz FDONIQCHEUYDKY-UHFFFAOYSA-N 0 0 441.579 -0.558 20 30 IBEDRN CCOC(=O)Cn1cccc(NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)c1=O ZINC000611098532 1073366024 /nfs/dbraw/zinc/36/60/24/1073366024.db2.gz AYOIKMFFWNYVFL-UHFFFAOYSA-N 0 0 438.444 -0.035 20 30 IBEDRN N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N(CCO)CCN3CCOCC3)C2=O)cc1 ZINC000611136847 1073366405 /nfs/dbraw/zinc/36/64/05/1073366405.db2.gz URVILCHYCNRLJE-GOSISDBHSA-N 0 0 429.477 -0.084 20 30 IBEDRN N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N(CCO)CCN3CCOCC3)C2=O)cc1 ZINC000611136848 1073366165 /nfs/dbraw/zinc/36/61/65/1073366165.db2.gz URVILCHYCNRLJE-SFHVURJKSA-N 0 0 429.477 -0.084 20 30 IBEDRN N#CCCN1CCN(CC(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)CC1 ZINC000611173660 1073366731 /nfs/dbraw/zinc/36/67/31/1073366731.db2.gz FWSIAZJKHPWVBN-UHFFFAOYSA-N 0 0 435.550 -0.145 20 30 IBEDRN N#CCCN1CCN(CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 ZINC000611174962 1073366717 /nfs/dbraw/zinc/36/67/17/1073366717.db2.gz PZNUFQSFEHJVEB-UHFFFAOYSA-N 0 0 435.550 -0.145 20 30 IBEDRN N#CCCN1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 ZINC000611175536 1073366840 /nfs/dbraw/zinc/36/68/40/1073366840.db2.gz FBVGFWWSSOKRBI-UHFFFAOYSA-N 0 0 430.534 -0.078 20 30 IBEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2ncccc2C(F)(F)F)c(=O)n1CC(N)=O ZINC000611222664 1073367121 /nfs/dbraw/zinc/36/71/21/1073367121.db2.gz AZGSLQFDZXOJCZ-UHFFFAOYSA-N 0 0 439.419 -0.163 20 30 IBEDRN N#CC(C(=O)NC1CC1)=c1sc(=Cc2ncccc2C(F)(F)F)c(=O)n1CC(N)=O ZINC000611222680 1073366976 /nfs/dbraw/zinc/36/69/76/1073366976.db2.gz GPJHKOWUTIUUTG-UHFFFAOYSA-N 0 0 437.403 -0.409 20 30 IBEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ncccc2C(F)(F)F)c(=O)n1CC(N)=O ZINC000611222705 1073367134 /nfs/dbraw/zinc/36/71/34/1073367134.db2.gz LJLNHUUASDSAIG-UHFFFAOYSA-N 0 0 439.419 -0.162 20 30 IBEDRN CNC(=O)Cn1nc(NC(=O)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)cc1C ZINC000611247568 1073367504 /nfs/dbraw/zinc/36/75/04/1073367504.db2.gz QOOLSKVDRIQWOL-UHFFFAOYSA-N 0 0 440.464 -0.038 20 30 IBEDRN CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)NCCN2CCN(S(C)(=O)=O)CC2)n1 ZINC000611361456 1074356059 /nfs/dbraw/zinc/35/60/59/1074356059.db2.gz SAVKOKPPOSDTCY-UHFFFAOYSA-N 0 0 425.515 -0.858 20 30 IBEDRN CN(C)S(=O)(=O)N1CCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CC1 ZINC000611429147 1073368567 /nfs/dbraw/zinc/36/85/67/1073368567.db2.gz SDDGNMQGOOBONG-INIZCTEOSA-N 0 0 440.595 -0.119 20 30 IBEDRN CN(C)S(=O)(=O)N1CCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CC1 ZINC000611429148 1073368587 /nfs/dbraw/zinc/36/85/87/1073368587.db2.gz SDDGNMQGOOBONG-MRXNPFEDSA-N 0 0 440.595 -0.119 20 30 IBEDRN COc1cc(C)nc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CC(=O)N(C)C)c2=O)c1 ZINC000611466211 1073369031 /nfs/dbraw/zinc/36/90/31/1073369031.db2.gz HPKYWCGLEYAQRZ-UHFFFAOYSA-N 0 0 441.513 -0.508 20 30 IBEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cc(OC)cc(C)n2)c(=O)n1CC(=O)N(C)C ZINC000611466213 1073368978 /nfs/dbraw/zinc/36/89/78/1073368978.db2.gz IMTXOMJRIUGHSG-UHFFFAOYSA-N 0 0 443.529 -0.261 20 30 IBEDRN COc1cc(C)nc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CC(=O)N(C)C)c2=O)c1 ZINC000611466219 1073369057 /nfs/dbraw/zinc/36/90/57/1073369057.db2.gz PIZADRNZGGWQQG-UHFFFAOYSA-N 0 0 443.529 -0.262 20 30 IBEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2F)c(=O)n1CC(N)=O ZINC000611492456 1073368959 /nfs/dbraw/zinc/36/89/59/1073368959.db2.gz FCJOTCQJQICNAN-UHFFFAOYSA-N 0 0 433.421 -0.528 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cc(F)ccc2C)c(=O)n1CC(=O)N(C)C ZINC000611492457 1073368987 /nfs/dbraw/zinc/36/89/87/1073368987.db2.gz FSPDVXJRUJOCRP-UHFFFAOYSA-N 0 0 446.504 -0.289 20 30 IBEDRN N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccc([N+](=O)[O-])cc2F)c(=O)n1CC(N)=O ZINC000611492459 1073369019 /nfs/dbraw/zinc/36/90/19/1073369019.db2.gz GIVHABQNXKVJGF-UHFFFAOYSA-N 0 0 431.405 -0.776 20 30 IBEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2F)c(=O)n1CC(N)=O ZINC000611492475 1073369038 /nfs/dbraw/zinc/36/90/38/1073369038.db2.gz PCUCBQMTVVXIPP-UHFFFAOYSA-N 0 0 433.421 -0.530 20 30 IBEDRN N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccc([N+](=O)[O-])cc2F)c(=O)n1CC(N)=O ZINC000611492476 1073369047 /nfs/dbraw/zinc/36/90/47/1073369047.db2.gz PGAHAQYEWBASAT-UHFFFAOYSA-N 0 0 445.432 -0.432 20 30 IBEDRN CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2F)c(=O)n1CC(N)=O ZINC000611492480 1073369054 /nfs/dbraw/zinc/36/90/54/1073369054.db2.gz RHYSWNWBLXHUPU-UHFFFAOYSA-N 0 0 447.448 -0.282 20 30 IBEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2F)c(=O)n1CC(N)=O ZINC000611492488 1073369050 /nfs/dbraw/zinc/36/90/50/1073369050.db2.gz XXYSUXNFABOLDI-UHFFFAOYSA-N 0 0 447.448 -0.138 20 30 IBEDRN CS(=O)(=O)N1CCN(CCNC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000611544062 1073369408 /nfs/dbraw/zinc/36/94/08/1073369408.db2.gz FBBJFXDKHKGQKK-GOSISDBHSA-N 0 0 448.549 -0.070 20 30 IBEDRN CS(=O)(=O)N1CCN(CCNC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000611544063 1073369343 /nfs/dbraw/zinc/36/93/43/1073369343.db2.gz FBBJFXDKHKGQKK-SFHVURJKSA-N 0 0 448.549 -0.070 20 30 IBEDRN CN(C)S(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC1 ZINC000611597074 1073309346 /nfs/dbraw/zinc/30/93/46/1073309346.db2.gz JIKGNRVSFXLKCO-UHFFFAOYSA-N 0 0 449.468 -0.228 20 30 IBEDRN CN(C)C(=O)Cn1c(=O)c(=Cc2ccc([N+](=O)[O-])s2)sc1=C(C#N)C(=O)NC1CC1 ZINC000611733217 1071131206 /nfs/dbraw/zinc/13/12/06/1071131206.db2.gz FHFYNFRIAJUMKG-UHFFFAOYSA-N 0 0 447.498 -0.251 20 30 IBEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])s2)c(=O)n1CC(=O)N(C)C ZINC000611733275 1071131381 /nfs/dbraw/zinc/13/13/81/1071131381.db2.gz OYYNGVVBDGTHMY-UHFFFAOYSA-N 0 0 449.514 -0.003 20 30 IBEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])s2)c(=O)n1CC(=O)N(C)C ZINC000611733288 1071131593 /nfs/dbraw/zinc/13/15/93/1071131593.db2.gz UCFMKXHHOVPIHK-UHFFFAOYSA-N 0 0 449.514 -0.005 20 30 IBEDRN COc1ncncc1NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000611868163 1071226816 /nfs/dbraw/zinc/22/68/16/1071226816.db2.gz LYVXPJPLLJMXQD-UHFFFAOYSA-N 0 0 430.446 -0.172 20 30 IBEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2Cl)c(=O)n1CC(N)=O ZINC000612040057 1071257308 /nfs/dbraw/zinc/25/73/08/1071257308.db2.gz FLPSTYUHFKRUED-UHFFFAOYSA-N 0 0 449.876 -0.016 20 30 IBEDRN COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(S(=O)(=O)N(C)C)CC1 ZINC000612201731 1071264976 /nfs/dbraw/zinc/26/49/76/1071264976.db2.gz RIYSPUHYSWIWCV-UHFFFAOYSA-N 0 0 439.494 -0.527 20 30 IBEDRN CNS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)cc1 ZINC000612241822 1071268232 /nfs/dbraw/zinc/26/82/32/1071268232.db2.gz DRYUWPSIQJXUNH-CYBMUJFWSA-N 0 0 443.489 -0.068 20 30 IBEDRN CNS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)cc1 ZINC000612241829 1071267998 /nfs/dbraw/zinc/26/79/98/1071267998.db2.gz DRYUWPSIQJXUNH-ZDUSSCGKSA-N 0 0 443.489 -0.068 20 30 IBEDRN C[C@@]1(C#N)CCCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)C1 ZINC000612272343 1071268659 /nfs/dbraw/zinc/26/86/59/1071268659.db2.gz SZKLONLYFCUIIY-IBGZPJMESA-N 0 0 433.490 -0.102 20 30 IBEDRN C[C@]1(C#N)CCCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)C1 ZINC000612272344 1071268923 /nfs/dbraw/zinc/26/89/23/1071268923.db2.gz SZKLONLYFCUIIY-LJQANCHMSA-N 0 0 433.490 -0.102 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)N(C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)C1=O ZINC000612864300 1073033266 /nfs/dbraw/zinc/03/32/66/1073033266.db2.gz AJPJLJAOBHCYSH-UHFFFAOYSA-N 0 0 440.416 -0.481 20 30 IBEDRN CN(C)S(=O)(=O)N1CCN(C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 ZINC000613094308 1071298576 /nfs/dbraw/zinc/29/85/76/1071298576.db2.gz OZGGFSVXARWXMA-UHFFFAOYSA-N 0 0 432.466 -0.972 20 30 IBEDRN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCN(S(=O)(=O)N(C)C)CC1 ZINC000613094309 1074356548 /nfs/dbraw/zinc/35/65/48/1074356548.db2.gz RJFQTHUZBPIUHG-UHFFFAOYSA-N 0 0 446.493 -0.664 20 30 IBEDRN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCC[C@H](NS(C)(=O)=O)C1 ZINC000613095439 1073344614 /nfs/dbraw/zinc/34/46/14/1073344614.db2.gz NJHDBDAOLJMHTM-AWEZNQCLSA-N 0 0 431.478 -0.074 20 30 IBEDRN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000613095440 1073344663 /nfs/dbraw/zinc/34/46/63/1073344663.db2.gz NJHDBDAOLJMHTM-CQSZACIVSA-N 0 0 431.478 -0.074 20 30 IBEDRN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N(C)CCN1CCCS1(=O)=O ZINC000613103611 1073344170 /nfs/dbraw/zinc/34/41/70/1073344170.db2.gz SCNMUJLEXWGGSQ-UHFFFAOYSA-N 0 0 431.478 -0.120 20 30 IBEDRN CCN1C(=O)[C@@H]2CN(C(=O)C(=O)Nc3nn(-c4ccc(C#N)cn4)cc3C)CCN2C1=O ZINC000613105043 1073336486 /nfs/dbraw/zinc/33/64/86/1073336486.db2.gz LHCXVBMQJQEPCT-AWEZNQCLSA-N 0 0 436.432 -0.119 20 30 IBEDRN CCN1C(=O)[C@H]2CN(C(=O)C(=O)Nc3nn(-c4ccc(C#N)cn4)cc3C)CCN2C1=O ZINC000613105047 1073336596 /nfs/dbraw/zinc/33/65/96/1073336596.db2.gz LHCXVBMQJQEPCT-CQSZACIVSA-N 0 0 436.432 -0.119 20 30 IBEDRN C=CCNS(=O)(=O)c1ccc(C(=O)N(C)CC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 ZINC000613741688 1071382346 /nfs/dbraw/zinc/38/23/46/1071382346.db2.gz QBBVJTOUDVKOKM-AWEZNQCLSA-N 0 0 429.520 -0.474 20 30 IBEDRN C=CCNS(=O)(=O)c1ccc(C(=O)N(C)CC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000613741697 1071382238 /nfs/dbraw/zinc/38/22/38/1071382238.db2.gz QBBVJTOUDVKOKM-CQSZACIVSA-N 0 0 429.520 -0.474 20 30 IBEDRN C=CCNS(=O)(=O)c1cccc(C(=O)N(C)CC(=O)N[C@H]2CCS(=O)(=O)C2)c1 ZINC000613742150 1071388025 /nfs/dbraw/zinc/38/80/25/1071388025.db2.gz SXYOCQBSAOOYFB-AWEZNQCLSA-N 0 0 429.520 -0.474 20 30 IBEDRN C=CCNS(=O)(=O)c1cccc(C(=O)N(C)CC(=O)N[C@@H]2CCS(=O)(=O)C2)c1 ZINC000613742152 1071388137 /nfs/dbraw/zinc/38/81/37/1071388137.db2.gz SXYOCQBSAOOYFB-CQSZACIVSA-N 0 0 429.520 -0.474 20 30 IBEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)NCc2ccc(S(C)(=O)=O)cc2)c1=O ZINC000613979365 1071474872 /nfs/dbraw/zinc/47/48/72/1071474872.db2.gz FXHVYTBCEDVVNO-UHFFFAOYSA-N 0 0 434.474 -0.736 20 30 IBEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)NCCOc2ccc3c(c2)OCO3)c1=O ZINC000613979414 1071474835 /nfs/dbraw/zinc/47/48/35/1071474835.db2.gz MREBSINKJNNLDR-UHFFFAOYSA-N 0 0 430.417 -0.532 20 30 IBEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)N2CCC(C(=O)NCCC(C)C)CC2)c1=O ZINC000613979609 1071474682 /nfs/dbraw/zinc/47/46/82/1071474682.db2.gz XZSQULQDLQWTLS-UHFFFAOYSA-N 0 0 447.536 -0.055 20 30 IBEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CC[C@H](n3cncn3)C2)CC1 ZINC000614420423 1071598497 /nfs/dbraw/zinc/59/84/97/1071598497.db2.gz VKKQYTWDSWEJPX-KRWDZBQOSA-N 0 0 429.506 -0.070 20 30 IBEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CC[C@@H](n3cncn3)C2)CC1 ZINC000614420456 1071598562 /nfs/dbraw/zinc/59/85/62/1071598562.db2.gz VKKQYTWDSWEJPX-QGZVFWFLSA-N 0 0 429.506 -0.070 20 30 IBEDRN C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN(CC(=O)N3CCOCC3)CC2)c1 ZINC000614599099 1072301839 /nfs/dbraw/zinc/30/18/39/1072301839.db2.gz LMGFECRGTADIRA-UHFFFAOYSA-N 0 0 436.534 -0.233 20 30 IBEDRN C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)CN3CCOCC3)CC2)c1 ZINC000614602020 1072303617 /nfs/dbraw/zinc/30/36/17/1072303617.db2.gz ZVHWYDLTUIMVJT-UHFFFAOYSA-N 0 0 436.534 -0.233 20 30 IBEDRN C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)c1 ZINC000614625495 1072306896 /nfs/dbraw/zinc/30/68/96/1072306896.db2.gz YNZINIBXMFNLHX-UHFFFAOYSA-N 0 0 448.501 -0.416 20 30 IBEDRN C=CCNC(=O)c1cccc(S(=O)(=O)N(CC)CC(=O)N[C@H]2CCS(=O)(=O)C2)c1 ZINC000615137904 1072999732 /nfs/dbraw/zinc/99/97/32/1072999732.db2.gz IIGIOEKHKKYNOP-HNNXBMFYSA-N 0 0 443.547 -0.084 20 30 IBEDRN C=CCNC(=O)c1cccc(S(=O)(=O)N(CC)CC(=O)N[C@@H]2CCS(=O)(=O)C2)c1 ZINC000615137908 1072999594 /nfs/dbraw/zinc/99/95/94/1072999594.db2.gz IIGIOEKHKKYNOP-OAHLLOKOSA-N 0 0 443.547 -0.084 20 30 IBEDRN C=CCNC(=O)c1cccc(S(=O)(=O)N(C)CC(=O)N[C@H]2CCS(=O)(=O)C2)c1 ZINC000615216141 1073437380 /nfs/dbraw/zinc/43/73/80/1073437380.db2.gz ACODZOMMVYAADP-AWEZNQCLSA-N 0 0 429.520 -0.474 20 30 IBEDRN C=CCNC(=O)c1cccc(S(=O)(=O)N(C)CC(=O)N[C@@H]2CCS(=O)(=O)C2)c1 ZINC000615216150 1073437229 /nfs/dbraw/zinc/43/72/29/1073437229.db2.gz ACODZOMMVYAADP-CQSZACIVSA-N 0 0 429.520 -0.474 20 30 IBEDRN C=CCNC(=O)c1cccc(S(=O)(=O)NCCC(=O)N[C@H]2CCS(=O)(=O)C2)c1 ZINC000615216308 1073014207 /nfs/dbraw/zinc/01/42/07/1073014207.db2.gz NBDBNXZHPFHDKX-AWEZNQCLSA-N 0 0 429.520 -0.426 20 30 IBEDRN C=CCNC(=O)c1cccc(S(=O)(=O)NCCC(=O)N[C@@H]2CCS(=O)(=O)C2)c1 ZINC000615216309 1073518685 /nfs/dbraw/zinc/51/86/85/1073518685.db2.gz NBDBNXZHPFHDKX-CQSZACIVSA-N 0 0 429.520 -0.426 20 30 IBEDRN COCCN(CCC#N)C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCN(C)CC2)c1 ZINC000615254309 1072987654 /nfs/dbraw/zinc/98/76/54/1072987654.db2.gz SHQFZGABAFJENK-UHFFFAOYSA-N 0 0 437.522 -0.050 20 30 IBEDRN COCCN(CCC#N)C(=O)C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1 ZINC000615254756 1073017873 /nfs/dbraw/zinc/01/78/73/1073017873.db2.gz PLFXREFYAGKDMT-UHFFFAOYSA-N 0 0 438.510 -0.510 20 30 IBEDRN COCCN(CCC#N)C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000615255220 1072987535 /nfs/dbraw/zinc/98/75/35/1072987535.db2.gz DQBIBDLIPNUIBU-UHFFFAOYSA-N 0 0 437.478 -0.866 20 30 IBEDRN COCCN(CCC#N)C(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 ZINC000615256066 1072987132 /nfs/dbraw/zinc/98/71/32/1072987132.db2.gz HFQFWKAQYKCEET-UHFFFAOYSA-N 0 0 437.522 -0.050 20 30 IBEDRN N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N3CCN4C(=O)C(=O)NC[C@H]4C3)cn2)c1 ZINC000615391765 1072989713 /nfs/dbraw/zinc/98/97/13/1072989713.db2.gz ISIPRUNPNZVFDQ-HNNXBMFYSA-N 0 0 434.412 -0.147 20 30 IBEDRN N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N3CCN4C(=O)C(=O)NC[C@@H]4C3)cn2)c1 ZINC000615391766 1072989719 /nfs/dbraw/zinc/98/97/19/1072989719.db2.gz ISIPRUNPNZVFDQ-OAHLLOKOSA-N 0 0 434.412 -0.147 20 30 IBEDRN N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N3CCN4C(=O)C(=O)NC[C@H]4C3)cn2)cc1 ZINC000615391787 1072989741 /nfs/dbraw/zinc/98/97/41/1072989741.db2.gz RMUFKPMJNXLRPP-HNNXBMFYSA-N 0 0 434.412 -0.147 20 30 IBEDRN N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N3CCN4C(=O)C(=O)NC[C@@H]4C3)cn2)cc1 ZINC000615391788 1072989749 /nfs/dbraw/zinc/98/97/49/1072989749.db2.gz RMUFKPMJNXLRPP-OAHLLOKOSA-N 0 0 434.412 -0.147 20 30 IBEDRN CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)Nc1cnn(-c3ncccc3C#N)c1)C2 ZINC000615549370 1072991286 /nfs/dbraw/zinc/99/12/86/1072991286.db2.gz JJOJPJNBXUQDHK-UHFFFAOYSA-N 0 0 436.436 -0.367 20 30 IBEDRN Cc1nn(C)c(N2CCN(C(=O)NCCN3CCN(S(C)(=O)=O)CC3)CC2)c1C#N ZINC000615952457 1072995127 /nfs/dbraw/zinc/99/51/27/1072995127.db2.gz XGSYMTHCIBUQKP-UHFFFAOYSA-N 0 0 438.558 -0.991 20 30 IBEDRN CNS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1 ZINC000616005615 1072995080 /nfs/dbraw/zinc/99/50/80/1072995080.db2.gz MLEHLZHXHMDGKU-UHFFFAOYSA-N 0 0 445.505 -0.204 20 30 IBEDRN N#Cc1cccnc1-n1cc(NC(=O)N2CCN(S(=O)(=O)c3nc[nH]n3)CC2)cn1 ZINC000616102405 1072996436 /nfs/dbraw/zinc/99/64/36/1072996436.db2.gz UQQSMJNBPKTBNY-UHFFFAOYSA-N 0 0 428.438 -0.205 20 30 IBEDRN COc1cccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CC(=O)N(C)C)c2=O)n1 ZINC000616254643 1072997947 /nfs/dbraw/zinc/99/79/47/1072997947.db2.gz DHHUCMAKOGRIDF-UHFFFAOYSA-N 0 0 429.502 -0.571 20 30 IBEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)n2)c(=O)n1CC(=O)N(C)C ZINC000616254674 1072998104 /nfs/dbraw/zinc/99/81/04/1072998104.db2.gz IJHFTTSEUVAZIT-UHFFFAOYSA-N 0 0 443.529 -0.179 20 30 IBEDRN COc1cccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CC(=O)N(C)C)c2=O)n1 ZINC000616254732 1072997478 /nfs/dbraw/zinc/99/74/78/1072997478.db2.gz PRHWUVPQXGVJQL-UHFFFAOYSA-N 0 0 427.486 -0.817 20 30 IBEDRN COc1cccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CC(=O)N(C)C)c2=O)n1 ZINC000616254745 1072998067 /nfs/dbraw/zinc/99/80/67/1072998067.db2.gz QPRMRDFGMZCHKK-UHFFFAOYSA-N 0 0 443.529 -0.323 20 30 IBEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)n2)c(=O)n1CC(=O)N(C)C ZINC000616254747 1072998043 /nfs/dbraw/zinc/99/80/43/1072998043.db2.gz QRCLRSHSTWUBQS-UHFFFAOYSA-N 0 0 429.502 -0.569 20 30 IBEDRN COc1cccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CC(=O)N(C)C)c2=O)n1 ZINC000616254774 1072998031 /nfs/dbraw/zinc/99/80/31/1072998031.db2.gz ZMQYUCFIGMMQIT-UHFFFAOYSA-N 0 0 441.513 -0.473 20 30 IBEDRN COc1cccc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(CC(N)=O)c2=O)n1 ZINC000616255368 1072998115 /nfs/dbraw/zinc/99/81/15/1072998115.db2.gz LHFFXXLZGHIYFO-UHFFFAOYSA-N 0 0 427.486 -0.639 20 30 IBEDRN CS(=O)(=O)N1CCN(CCNC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 ZINC000617015634 1073008155 /nfs/dbraw/zinc/00/81/55/1073008155.db2.gz ZPRPBLSGCFDSKO-GOSISDBHSA-N 0 0 448.549 -0.464 20 30 IBEDRN CS(=O)(=O)N1CCN(CCNC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 ZINC000617015637 1073008201 /nfs/dbraw/zinc/00/82/01/1073008201.db2.gz ZPRPBLSGCFDSKO-SFHVURJKSA-N 0 0 448.549 -0.464 20 30 IBEDRN CN(C)S(=O)(=O)N1CCN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 ZINC000617034483 1073008188 /nfs/dbraw/zinc/00/81/88/1073008188.db2.gz ZEICZOMXICSYEM-KRWDZBQOSA-N 0 0 434.522 -0.207 20 30 IBEDRN CN(C)S(=O)(=O)N1CCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 ZINC000617034484 1073008267 /nfs/dbraw/zinc/00/82/67/1073008267.db2.gz ZEICZOMXICSYEM-QGZVFWFLSA-N 0 0 434.522 -0.207 20 30 IBEDRN N#C[C@@]1(F)CCN(C(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c2ccc3c(c2)OCCO3)C1 ZINC000617622028 1073014330 /nfs/dbraw/zinc/01/43/30/1073014330.db2.gz NUXIDZVXGRTJPK-ACJLOTCBSA-N 0 0 440.453 -0.166 20 30 IBEDRN N#C[C@]1(F)CCN(C(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c2ccc3c(c2)OCCO3)C1 ZINC000617622029 1073014262 /nfs/dbraw/zinc/01/42/62/1073014262.db2.gz NUXIDZVXGRTJPK-FZKQIMNGSA-N 0 0 440.453 -0.166 20 30 IBEDRN N#C[C@]1(F)CCN(C(=O)[C@H](CCC(N)=O)NS(=O)(=O)c2ccc3c(c2)OCCO3)C1 ZINC000617622030 1073014222 /nfs/dbraw/zinc/01/42/22/1073014222.db2.gz NUXIDZVXGRTJPK-SCLBCKFNSA-N 0 0 440.453 -0.166 20 30 IBEDRN N#C[C@@]1(F)CCN(C(=O)[C@H](CCC(N)=O)NS(=O)(=O)c2ccc3c(c2)OCCO3)C1 ZINC000617622031 1073014195 /nfs/dbraw/zinc/01/41/95/1073014195.db2.gz NUXIDZVXGRTJPK-UGSOOPFHSA-N 0 0 440.453 -0.166 20 30 IBEDRN Cc1nc(NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)c(C(=O)NCCO)n1C ZINC000617886475 1070857844 /nfs/dbraw/zinc/85/78/44/1070857844.db2.gz BPKMYHKYIUQEFJ-UHFFFAOYSA-N 0 0 434.478 -0.105 20 30 IBEDRN CN(C)C(=O)CN1CCN(c2ccc(C#N)c(N3CCN(CC(=O)N(C)C)CC3)n2)CC1 ZINC000618150383 1073018145 /nfs/dbraw/zinc/01/81/45/1073018145.db2.gz CJKNYSNEFMLCFJ-UHFFFAOYSA-N 0 0 442.568 -0.626 20 30 IBEDRN Cn1c(=O)c(=Cc2ccc3cnccc3c2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000618638694 1073019341 /nfs/dbraw/zinc/01/93/41/1073019341.db2.gz YOQZBHBOLJRTBH-UHFFFAOYSA-N 0 0 449.536 -0.054 20 30 IBEDRN CCOCCn1c(=O)c(=Cc2c(Br)cnn2C)sc1=C(C#N)C(=O)NC ZINC000618639300 1073019372 /nfs/dbraw/zinc/01/93/72/1073019372.db2.gz HFEFLHSRLLHHLP-UHFFFAOYSA-N 0 0 440.323 -0.309 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2sccc2Cl)c(=O)n1CC(N)=O ZINC000618639996 1073019360 /nfs/dbraw/zinc/01/93/60/1073019360.db2.gz FXQABWLCYSELHM-UHFFFAOYSA-N 0 0 426.907 -0.624 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc3cnccc3c2)c(=O)n1CC(N)=O ZINC000618640038 1073019389 /nfs/dbraw/zinc/01/93/89/1073019389.db2.gz MYOQNIDTASBQHY-UHFFFAOYSA-N 0 0 437.481 -0.791 20 30 IBEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccc3cnccc3c2)c(=O)n1CC(N)=O ZINC000618640095 1073019382 /nfs/dbraw/zinc/01/93/82/1073019382.db2.gz QNLWMRUVBAUSDP-UHFFFAOYSA-N 0 0 449.492 -0.695 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(n3cnc(C(=O)OCC)c3N)CC2)C1=O ZINC000619249578 1073021933 /nfs/dbraw/zinc/02/19/33/1073021933.db2.gz DTSVNDOVVJDQQC-UHFFFAOYSA-N 0 0 432.437 -0.218 20 30 IBEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2C(C)C)c(=O)n1CC(=O)N(C)C ZINC000619464114 1073023050 /nfs/dbraw/zinc/02/30/50/1073023050.db2.gz GBLZWDYFMXKIPK-UHFFFAOYSA-N 0 0 430.534 -0.197 20 30 IBEDRN CC(C)n1nccc1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(CC(=O)N(C)C)c1=O ZINC000619464117 1073022844 /nfs/dbraw/zinc/02/28/44/1073022844.db2.gz LIJYBWFXHGVLOP-UHFFFAOYSA-N 0 0 442.545 -0.099 20 30 IBEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C(C)C)c(=O)n1CC(=O)N(C)C ZINC000619464118 1073023017 /nfs/dbraw/zinc/02/30/17/1073023017.db2.gz LZTTXGUEDHRNTQ-UHFFFAOYSA-N 0 0 430.534 -0.195 20 30 IBEDRN CC(C)n1nccc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(CC(=O)N(C)C)c1=O ZINC000619464120 1073022863 /nfs/dbraw/zinc/02/28/63/1073022863.db2.gz QUQHNPVXHUAVSF-UHFFFAOYSA-N 0 0 428.518 -0.443 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C(C)C)c(=O)n1CC(=O)N(C)C ZINC000619464122 1073023029 /nfs/dbraw/zinc/02/30/29/1073023029.db2.gz RCMWJRWTWVHEOI-UHFFFAOYSA-N 0 0 446.533 -0.959 20 30 IBEDRN CN1CCN(S(=O)(=O)N2CCN(S(=O)(=O)c3cccc(CC#N)c3)CC2)CC1 ZINC000619475699 1073023255 /nfs/dbraw/zinc/02/32/55/1073023255.db2.gz DIAFNDIJAGHKCG-UHFFFAOYSA-N 0 0 427.552 -0.449 20 30 IBEDRN COC(=O)[C@@H]1C[C@H](F)CN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000619515207 1073023742 /nfs/dbraw/zinc/02/37/42/1073023742.db2.gz UHNZWSQCUNHKKB-HOTGVXAUSA-N 0 0 438.481 -0.023 20 30 IBEDRN C=CCOC[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(OC)cc1)C(=O)OC ZINC000619544337 1073024139 /nfs/dbraw/zinc/02/41/39/1073024139.db2.gz FDFARXDHAWQEHJ-COXVUDFISA-N 0 0 442.490 -0.321 20 30 IBEDRN C=CCOC[C@H](NC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(OC)cc1)C(=O)OC ZINC000619544338 1073024059 /nfs/dbraw/zinc/02/40/59/1073024059.db2.gz FDFARXDHAWQEHJ-JQFCIGGWSA-N 0 0 442.490 -0.321 20 30 IBEDRN C=CCOC[C@@H](NC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(OC)cc1)C(=O)OC ZINC000619544339 1073024038 /nfs/dbraw/zinc/02/40/38/1073024038.db2.gz FDFARXDHAWQEHJ-XKQJLSEDSA-N 0 0 442.490 -0.321 20 30 IBEDRN C=CCOC[C@@H](NC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(OC)cc1)C(=O)OC ZINC000619544340 1073024155 /nfs/dbraw/zinc/02/41/55/1073024155.db2.gz FDFARXDHAWQEHJ-XYPHTWIQSA-N 0 0 442.490 -0.321 20 30 IBEDRN CC(C)CC(=O)N[C@@H](CC(N)=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000619567800 1073024083 /nfs/dbraw/zinc/02/40/83/1073024083.db2.gz NMQZLPLCAMOSDK-KRWDZBQOSA-N 0 0 449.533 -0.203 20 30 IBEDRN CC(C)CC(=O)N[C@H](CC(N)=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000619567805 1073024555 /nfs/dbraw/zinc/02/45/55/1073024555.db2.gz NMQZLPLCAMOSDK-QGZVFWFLSA-N 0 0 449.533 -0.203 20 30 IBEDRN Cn1cc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1C(N)=O ZINC000619571013 1073024471 /nfs/dbraw/zinc/02/44/71/1073024471.db2.gz FFRMNIIXNSCNPK-UHFFFAOYSA-N 0 0 437.503 -0.309 20 30 IBEDRN Cn1cc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1C(N)=O ZINC000619571016 1073024717 /nfs/dbraw/zinc/02/47/17/1073024717.db2.gz JOCODPUVWSEBKS-UHFFFAOYSA-N 0 0 437.503 -0.309 20 30 IBEDRN COCCN1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 ZINC000619572194 1073024592 /nfs/dbraw/zinc/02/45/92/1073024592.db2.gz REZXWHARCZGVDB-UHFFFAOYSA-N 0 0 435.550 -0.345 20 30 IBEDRN CN1CCN(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3CC#N)CC2)CC1 ZINC000619572448 1073024662 /nfs/dbraw/zinc/02/46/62/1073024662.db2.gz DHZHPTOZUABNKO-UHFFFAOYSA-N 0 0 427.552 -0.449 20 30 IBEDRN CNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2F)c(=O)n1CCN1CCOCC1 ZINC000619695365 1073024962 /nfs/dbraw/zinc/02/49/62/1073024962.db2.gz XQQBUPXSOWCDEX-UHFFFAOYSA-N 0 0 446.504 -0.361 20 30 IBEDRN COc1cccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C)c2=O)c1F ZINC000619695401 1073025091 /nfs/dbraw/zinc/02/50/91/1073025091.db2.gz ICKRSOMPJRAOFT-UHFFFAOYSA-N 0 0 446.504 -0.454 20 30 IBEDRN COc1cccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CC(=O)N(C)C)c2=O)c1F ZINC000619695664 1073025041 /nfs/dbraw/zinc/02/50/41/1073025041.db2.gz CQDXNOPSKIQKFR-UHFFFAOYSA-N 0 0 444.488 -0.073 20 30 IBEDRN COc1cccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CC(N)=O)c2=O)c1F ZINC000619695986 1073024992 /nfs/dbraw/zinc/02/49/92/1073024992.db2.gz NIJJGHMGQMGISK-UHFFFAOYSA-N 0 0 430.461 -0.332 20 30 IBEDRN COc1cccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CC(N)=O)c2=O)c1F ZINC000619695989 1073025095 /nfs/dbraw/zinc/02/50/95/1073025095.db2.gz NLTMGVQWIFQEOU-UHFFFAOYSA-N 0 0 432.477 -0.182 20 30 IBEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2F)c(=O)n1CC(N)=O ZINC000619696026 1073025127 /nfs/dbraw/zinc/02/51/27/1073025127.db2.gz VGSSOZNTALDSDZ-UHFFFAOYSA-N 0 0 432.477 -0.038 20 30 IBEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2F)c(=O)n1CC(N)=O ZINC000619696027 1073025115 /nfs/dbraw/zinc/02/51/15/1073025115.db2.gz VRPFSYMAQNDLKK-UHFFFAOYSA-N 0 0 448.476 -0.801 20 30 IBEDRN N#CC1(c2ccccn2)CCN(CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CC1 ZINC000619722926 1073024931 /nfs/dbraw/zinc/02/49/31/1073024931.db2.gz WRTZLVNGRQVNQV-UHFFFAOYSA-N 0 0 440.548 -0.058 20 30 IBEDRN CS(=O)(=O)NC1CC(NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 ZINC000619763150 1073025651 /nfs/dbraw/zinc/02/56/51/1073025651.db2.gz QPLIQPHNAUQVNN-UHFFFAOYSA-N 0 0 441.535 -0.346 20 30 IBEDRN CCOC(=O)CNC(=O)[C@@H]1COCCN1C(=O)c1ccc(-n2ncc(C#N)c2N)cc1 ZINC000619873287 1073027803 /nfs/dbraw/zinc/02/78/03/1073027803.db2.gz YMRQXZHERIESMH-INIZCTEOSA-N 0 0 426.433 -0.154 20 30 IBEDRN CCOC(=O)CNC(=O)[C@H]1COCCN1C(=O)c1ccc(-n2ncc(C#N)c2N)cc1 ZINC000619873288 1073027594 /nfs/dbraw/zinc/02/75/94/1073027594.db2.gz YMRQXZHERIESMH-MRXNPFEDSA-N 0 0 426.433 -0.154 20 30 IBEDRN C=CCNS(=O)(=O)c1cccc(C(=O)N2CCOC[C@H]2C(=O)NCC(=O)OCC)c1 ZINC000619873674 1073027251 /nfs/dbraw/zinc/02/72/51/1073027251.db2.gz HJVFAZFAPWPVQH-INIZCTEOSA-N 0 0 439.490 -0.329 20 30 IBEDRN C=CCNS(=O)(=O)c1cccc(C(=O)N2CCOC[C@@H]2C(=O)NCC(=O)OCC)c1 ZINC000619873675 1073027778 /nfs/dbraw/zinc/02/77/78/1073027778.db2.gz HJVFAZFAPWPVQH-MRXNPFEDSA-N 0 0 439.490 -0.329 20 30 IBEDRN CCOC(=O)CNC(=O)[C@@H]1COCCN1C(=O)C1CCN(c2oc(C)nc2C#N)CC1 ZINC000619873903 1073027683 /nfs/dbraw/zinc/02/76/83/1073027683.db2.gz BUDRSNXDMFRTLR-INIZCTEOSA-N 0 0 433.465 -0.022 20 30 IBEDRN CCOC(=O)CNC(=O)[C@H]1COCCN1C(=O)C1CCN(c2oc(C)nc2C#N)CC1 ZINC000619873906 1073027698 /nfs/dbraw/zinc/02/76/98/1073027698.db2.gz BUDRSNXDMFRTLR-MRXNPFEDSA-N 0 0 433.465 -0.022 20 30 IBEDRN C=CCNS(=O)(=O)c1ccc(C(=O)N2CCOC[C@H]2C(=O)NCC(=O)OCC)cc1 ZINC000619874488 1073028076 /nfs/dbraw/zinc/02/80/76/1073028076.db2.gz IESMOFWLJWGEOS-INIZCTEOSA-N 0 0 439.490 -0.329 20 30 IBEDRN C=CCNS(=O)(=O)c1ccc(C(=O)N2CCOC[C@@H]2C(=O)NCC(=O)OCC)cc1 ZINC000619874489 1073028317 /nfs/dbraw/zinc/02/83/17/1073028317.db2.gz IESMOFWLJWGEOS-MRXNPFEDSA-N 0 0 439.490 -0.329 20 30 IBEDRN CCOC(=O)CNC(=O)[C@@H]1COCCN1C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 ZINC000619876875 1073029963 /nfs/dbraw/zinc/02/99/63/1073029963.db2.gz YJCNEAQUEJLMIW-INIZCTEOSA-N 0 0 437.474 -0.620 20 30 IBEDRN CCOC(=O)CNC(=O)[C@H]1COCCN1C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 ZINC000619876876 1073029960 /nfs/dbraw/zinc/02/99/60/1073029960.db2.gz YJCNEAQUEJLMIW-MRXNPFEDSA-N 0 0 437.474 -0.620 20 30 IBEDRN C=CCNS(=O)(=O)c1cccc(C(=O)NCCN2CCN(S(C)(=O)=O)CC2)c1 ZINC000619960857 1073030321 /nfs/dbraw/zinc/03/03/21/1073030321.db2.gz RFAZYENWQVZENK-UHFFFAOYSA-N 0 0 430.552 -0.542 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(CC(=O)N3C[C@@H](C)C[C@H](C)C3)CC2)C1=O ZINC000623207687 1073051345 /nfs/dbraw/zinc/05/13/45/1073051345.db2.gz DCWLYPQHNUZTFU-HOTGVXAUSA-N 0 0 433.509 -0.388 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(CC(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)C1=O ZINC000623207688 1073051047 /nfs/dbraw/zinc/05/10/47/1073051047.db2.gz DCWLYPQHNUZTFU-HZPDHXFCSA-N 0 0 433.509 -0.388 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(CC(=O)N3C[C@H](C)C[C@H](C)C3)CC2)C1=O ZINC000623207689 1073051054 /nfs/dbraw/zinc/05/10/54/1073051054.db2.gz DCWLYPQHNUZTFU-IYBDPMFKSA-N 0 0 433.509 -0.388 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(NS(=O)(=O)c3ccccc3)CC2)C1=O ZINC000623208781 1073051279 /nfs/dbraw/zinc/05/12/79/1073051279.db2.gz CLBYRENHRQKEKN-UHFFFAOYSA-N 0 0 434.474 -0.067 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)C1=O ZINC000623216506 1073051387 /nfs/dbraw/zinc/05/13/87/1073051387.db2.gz UYYBKVYZBUNOPS-UHFFFAOYSA-N 0 0 428.401 -0.324 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(CC(=O)N3CCN(C)CC3)cc2)C1=O ZINC000623225910 1073051317 /nfs/dbraw/zinc/05/13/17/1073051317.db2.gz GRVHRDDSNYHTMM-UHFFFAOYSA-N 0 0 427.461 -0.082 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)NCc2cccc(OCCN3CCOCC3)c2)C1=O ZINC000623229395 1073051006 /nfs/dbraw/zinc/05/10/06/1073051006.db2.gz IGZMMPDUJAJXQG-UHFFFAOYSA-N 0 0 430.461 -0.009 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccccc2OCCN2CCOCC2)C1=O ZINC000623229696 1073051367 /nfs/dbraw/zinc/05/13/67/1073051367.db2.gz OQQZSBUAOZIUDT-UHFFFAOYSA-N 0 0 430.461 -0.009 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)C1=O ZINC000623230684 1073051291 /nfs/dbraw/zinc/05/12/91/1073051291.db2.gz UXSGRUPFTDMCHJ-UHFFFAOYSA-N 0 0 428.449 -0.787 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(C(=O)NCCN3CCOCC3)cc2)C1=O ZINC000624897123 1073225795 /nfs/dbraw/zinc/22/57/95/1073225795.db2.gz OFQUTLSBFJQNDX-UHFFFAOYSA-N 0 0 443.460 -0.336 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)CC1 ZINC000642134320 1072608061 /nfs/dbraw/zinc/60/80/61/1072608061.db2.gz WKZTYYJYMPGKMZ-UHFFFAOYSA-N 0 0 426.495 -0.640 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)c2ccccc2S(=O)(=O)N2CCOCC2)CC1 ZINC000642181301 1072397191 /nfs/dbraw/zinc/39/71/91/1072397191.db2.gz DTKLWFPWPNLIDH-UHFFFAOYSA-N 0 0 436.534 -0.233 20 30 IBEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCC(=O)N2CCOCC2)cc1 ZINC000642955725 1072621526 /nfs/dbraw/zinc/62/15/26/1072621526.db2.gz QJMQYNMYZPAGBW-UHFFFAOYSA-N 0 0 438.506 -0.203 20 30 IBEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCCN(C)S(C)(=O)=O)cc1 ZINC000643057071 1072624355 /nfs/dbraw/zinc/62/43/55/1072624355.db2.gz ZSSKBDOMIXZFNP-UHFFFAOYSA-N 0 0 446.551 -0.171 20 30 IBEDRN C=CCn1c(=O)n(CC=C)c(=O)n(Cc2nnc3n2c2ccc(C)cc2c(=O)n3C)c1=O ZINC000643094924 1072625371 /nfs/dbraw/zinc/62/53/71/1072625371.db2.gz JXPVUPPWFLOHFT-UHFFFAOYSA-N 0 0 435.444 -0.205 20 30 IBEDRN CCn1cc(C#N)c(=O)n(CC(=O)c2c(N)n(Cc3ccccc3)c(=O)n(C)c2=O)c1=O ZINC000643096081 1072625478 /nfs/dbraw/zinc/62/54/78/1072625478.db2.gz VAGWRPWPOLSHQX-UHFFFAOYSA-N 0 0 436.428 -0.725 20 30 IBEDRN CC(=O)c1ccc(S(=O)(=O)N2CCN(c3c(C#N)c(=O)n(C)c(=O)n3C)CC2)cc1 ZINC000643782871 1071121828 /nfs/dbraw/zinc/12/18/28/1071121828.db2.gz MVXOKMRSKJCRBH-UHFFFAOYSA-N 0 0 431.474 -0.331 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)C1=O ZINC000664851334 1072175002 /nfs/dbraw/zinc/17/50/02/1072175002.db2.gz TWYAVRAXCSZNQD-UHFFFAOYSA-N 0 0 429.433 -0.127 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)C1=O ZINC000669818607 1072443792 /nfs/dbraw/zinc/44/37/92/1072443792.db2.gz HEDYVOJLWQPOIV-UHFFFAOYSA-N 0 0 439.450 -0.899 20 30 IBEDRN O=C(NCC#CCNC(=O)c1cncc(-n2ccnn2)c1)c1cncc(-n2ccnn2)c1 ZINC000670089680 1072643803 /nfs/dbraw/zinc/64/38/03/1072643803.db2.gz WFCYTWQYGRRLHO-UHFFFAOYSA-N 0 0 428.416 -0.199 20 30 IBEDRN C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 ZINC000670211159 1072707059 /nfs/dbraw/zinc/70/70/59/1072707059.db2.gz RJAAEQCGFZHJLZ-CHWSQXEVSA-N 0 0 425.515 -0.063 20 30 IBEDRN C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 ZINC000670211160 1072707132 /nfs/dbraw/zinc/70/71/32/1072707132.db2.gz RJAAEQCGFZHJLZ-OLZOCXBDSA-N 0 0 425.515 -0.063 20 30 IBEDRN C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 ZINC000670211161 1072707108 /nfs/dbraw/zinc/70/71/08/1072707108.db2.gz RJAAEQCGFZHJLZ-QWHCGFSZSA-N 0 0 425.515 -0.063 20 30 IBEDRN C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 ZINC000670211162 1072706980 /nfs/dbraw/zinc/70/69/80/1072706980.db2.gz RJAAEQCGFZHJLZ-STQMWFEESA-N 0 0 425.515 -0.063 20 30 IBEDRN C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(S(=O)(=O)N(C)C)CC1 ZINC000670214065 1073017923 /nfs/dbraw/zinc/01/79/23/1073017923.db2.gz IFJYLIOCDHAACL-CYBMUJFWSA-N 0 0 435.576 -0.607 20 30 IBEDRN C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(S(=O)(=O)N(C)C)CC1 ZINC000670214066 1073017712 /nfs/dbraw/zinc/01/77/12/1073017712.db2.gz IFJYLIOCDHAACL-ZDUSSCGKSA-N 0 0 435.576 -0.607 20 30 IBEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NC2CC(NS(C)(=O)=O)C2)cc1 ZINC000670229409 1072719022 /nfs/dbraw/zinc/71/90/22/1072719022.db2.gz NCKQMXROIVSHQX-UHFFFAOYSA-N 0 0 444.535 -0.372 20 30 IBEDRN COCCCn1nccc1C=c1sc(=C(C#N)C(=O)C(C)C)n(CC(=O)N(C)C)c1=O ZINC000670325179 1072754121 /nfs/dbraw/zinc/75/41/21/1072754121.db2.gz OEMBZEGVPRZNLO-UHFFFAOYSA-N 0 0 445.545 -0.041 20 30 IBEDRN COCCCn1nccc1C=c1sc(=C(C#N)C(=O)C2CCCC2)n(CC(N)=O)c1=O ZINC000670325243 1072753922 /nfs/dbraw/zinc/75/39/22/1072753922.db2.gz NOKCHSOXWMEQSH-UHFFFAOYSA-N 0 0 443.529 -0.110 20 30 IBEDRN CC(C)[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)NCC#CCO ZINC000670447619 1073254378 /nfs/dbraw/zinc/25/43/78/1073254378.db2.gz AROMLCPOGYIVRT-GOSISDBHSA-N 0 0 437.518 -0.426 20 30 IBEDRN CC(C)[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)NCC#CCO ZINC000670447620 1072804538 /nfs/dbraw/zinc/80/45/38/1072804538.db2.gz AROMLCPOGYIVRT-SFHVURJKSA-N 0 0 437.518 -0.426 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H](C)c2ccc(-n3cncn3)cc2)CC1 ZINC000670665367 1072948871 /nfs/dbraw/zinc/94/88/71/1072948871.db2.gz RFSFBHBSOVDDLP-INIZCTEOSA-N 0 0 425.493 -0.109 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H](C)c2ccc(-n3cncn3)cc2)CC1 ZINC000670665368 1072948933 /nfs/dbraw/zinc/94/89/33/1072948933.db2.gz RFSFBHBSOVDDLP-MRXNPFEDSA-N 0 0 425.493 -0.109 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)NCCc2cc(F)cc3c2OCOC3)CC1 ZINC000671166315 1073043977 /nfs/dbraw/zinc/04/39/77/1073043977.db2.gz COWIOOLXWRLSJM-UHFFFAOYSA-N 0 0 434.468 -0.203 20 30 IBEDRN CS(=O)(=O)NC[C@H]1CCCN(CC#CCN2CCC[C@H](CNS(C)(=O)=O)C2)C1 ZINC000671241773 1073047247 /nfs/dbraw/zinc/04/72/47/1073047247.db2.gz XXVYQVDXJIZIOU-QZTJIDSGSA-N 0 0 434.628 -0.488 20 30 IBEDRN CS(=O)(=O)NC[C@@H]1CCCN(CC#CCN2CCC[C@@H](CNS(C)(=O)=O)C2)C1 ZINC000671241774 1073047804 /nfs/dbraw/zinc/04/78/04/1073047804.db2.gz XXVYQVDXJIZIOU-ROUUACIJSA-N 0 0 434.628 -0.488 20 30 IBEDRN C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000671356514 1073055889 /nfs/dbraw/zinc/05/58/89/1073055889.db2.gz IVBCOUJFJBBXQX-UHFFFAOYSA-N 0 0 438.550 -0.097 20 30 IBEDRN Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)[C@H]2CCCOC2)n(CC(=O)N(C)C)c1=O ZINC000671654178 1073092034 /nfs/dbraw/zinc/09/20/34/1073092034.db2.gz VFUCREKCIBANGQ-AWEZNQCLSA-N 0 0 443.529 -0.461 20 30 IBEDRN Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)[C@@H]2CCCOC2)n(CC(=O)N(C)C)c1=O ZINC000671654179 1073092116 /nfs/dbraw/zinc/09/21/16/1073092116.db2.gz VFUCREKCIBANGQ-CQSZACIVSA-N 0 0 443.529 -0.461 20 30 IBEDRN Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)C2CCC2)n(CCNS(C)(=O)=O)c1=O ZINC000671654220 1073092052 /nfs/dbraw/zinc/09/20/52/1073092052.db2.gz SFAJFTOPHAELLM-UHFFFAOYSA-N 0 0 449.558 -0.627 20 30 IBEDRN CC(C)(C(=O)NCC#CCNC(=O)C(C)(C)S(=O)(=O)C1CC1)S(=O)(=O)C1CC1 ZINC000671793419 1073120343 /nfs/dbraw/zinc/12/03/43/1073120343.db2.gz SKVBBRJMDMLEPK-UHFFFAOYSA-N 0 0 432.564 -0.066 20 30 IBEDRN C=C(C)COCCNC(=O)C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1 ZINC000675602138 1073284327 /nfs/dbraw/zinc/28/43/27/1073284327.db2.gz LYKHGZGQKGJKHK-UHFFFAOYSA-N 0 0 425.511 -0.189 20 30 IBEDRN CCn1nccc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(CCNS(C)(=O)=O)c1=O ZINC000677123524 1072731188 /nfs/dbraw/zinc/73/11/88/1072731188.db2.gz FKBJUKRCGJJHNO-UHFFFAOYSA-N 0 0 449.558 -0.452 20 30 IBEDRN C=CCCOCCNC(=O)C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1 ZINC000677462019 1072735002 /nfs/dbraw/zinc/73/50/02/1072735002.db2.gz PRDCLNVKEXPJOB-UHFFFAOYSA-N 0 0 425.511 -0.189 20 30 IBEDRN C=CC[C@H](CO)CNC(=O)C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1 ZINC000678754332 1072747042 /nfs/dbraw/zinc/74/70/42/1072747042.db2.gz AKTPNNDUCHCEEN-AWEZNQCLSA-N 0 0 425.511 -0.598 20 30 IBEDRN C=CC[C@@H](CO)CNC(=O)C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1 ZINC000678754333 1072747082 /nfs/dbraw/zinc/74/70/82/1072747082.db2.gz AKTPNNDUCHCEEN-CQSZACIVSA-N 0 0 425.511 -0.598 20 30 IBEDRN C=CCNC(=O)CNC(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000679127110 1072749302 /nfs/dbraw/zinc/74/93/02/1072749302.db2.gz LSKDFDUKUNWHMN-CYBMUJFWSA-N 0 0 430.508 -0.424 20 30 IBEDRN C=CCNC(=O)CNC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1 ZINC000679127117 1072749013 /nfs/dbraw/zinc/74/90/13/1072749013.db2.gz LSKDFDUKUNWHMN-ZDUSSCGKSA-N 0 0 430.508 -0.424 20 30 IBEDRN C=CCOCCNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC ZINC000679532252 1072753014 /nfs/dbraw/zinc/75/30/14/1072753014.db2.gz ODLQKHGPEFYPGR-UHFFFAOYSA-N 0 0 427.479 -0.027 20 30 IBEDRN C=CCOCCNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1OC ZINC000679532499 1072753221 /nfs/dbraw/zinc/75/32/21/1072753221.db2.gz VBCJWGKDKYJLRG-UHFFFAOYSA-N 0 0 440.522 -0.111 20 30 IBEDRN C=CCOCCNC(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 ZINC000679532563 1072753080 /nfs/dbraw/zinc/75/30/80/1072753080.db2.gz YITMMZUAWUUPOO-UHFFFAOYSA-N 0 0 427.479 -0.027 20 30 IBEDRN C=CCOCCNC(=O)N1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000679629617 1072754353 /nfs/dbraw/zinc/75/43/53/1072754353.db2.gz HUVSCGUZPLQJCP-UHFFFAOYSA-N 0 0 432.524 -0.448 20 30 IBEDRN Cn1nccc1C=c1sc(=C(C#N)C(=O)C2CCCC2)n(CCNS(C)(=O)=O)c1=O ZINC000679753277 1072754857 /nfs/dbraw/zinc/75/48/57/1072754857.db2.gz LQLYZWYJBFYQBF-UHFFFAOYSA-N 0 0 449.558 -0.545 20 30 IBEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)N(CCC(N)=O)c2ccc(F)cc2)c1=O ZINC000680319383 1072774405 /nfs/dbraw/zinc/77/44/05/1072774405.db2.gz YGJGRBLGRNHHOR-UHFFFAOYSA-N 0 0 431.424 -0.409 20 30 IBEDRN O=C(NCC#CCNC(=O)c1ccc(-n2cncn2)nc1)c1ccc(-n2cncn2)nc1 ZINC000680339346 1072774494 /nfs/dbraw/zinc/77/44/94/1072774494.db2.gz DYNNRFNURXXRIU-UHFFFAOYSA-N 0 0 428.416 -0.199 20 30 IBEDRN CCC(=O)N1CSC[C@H]1C(=O)NCC#CCNC(=O)[C@@H]1CSCN1C(=O)CC ZINC000680339487 1072774306 /nfs/dbraw/zinc/77/43/06/1072774306.db2.gz HUSXADZVJGSHHV-KBPBESRZSA-N 0 0 426.564 -0.155 20 30 IBEDRN CCC(=O)N1CSC[C@H]1C(=O)NCC#CCNC(=O)[C@H]1CSCN1C(=O)CC ZINC000680339491 1072774371 /nfs/dbraw/zinc/77/43/71/1072774371.db2.gz HUSXADZVJGSHHV-OKILXGFUSA-N 0 0 426.564 -0.155 20 30 IBEDRN CCC(=O)N1CSC[C@@H]1C(=O)NCC#CCNC(=O)[C@H]1CSCN1C(=O)CC ZINC000680339493 1072774264 /nfs/dbraw/zinc/77/42/64/1072774264.db2.gz HUSXADZVJGSHHV-ZIAGYGMSSA-N 0 0 426.564 -0.155 20 30 IBEDRN O=C(NCC#CCNC(=O)c1sccc1-n1cnnn1)c1sccc1-n1cnnn1 ZINC000680339636 1072774472 /nfs/dbraw/zinc/77/44/72/1072774472.db2.gz JWCZHRHBNWQECA-UHFFFAOYSA-N 0 0 440.474 -0.076 20 30 IBEDRN O=C(CS(=O)(=O)C1CCCC1)NCC#CCNC(=O)CS(=O)(=O)C1CCCC1 ZINC000680339738 1072774386 /nfs/dbraw/zinc/77/43/86/1072774386.db2.gz LIZZLXKZZPTWTO-UHFFFAOYSA-N 0 0 432.564 -0.063 20 30 IBEDRN Cc1cc(C)n2nc(C(=O)NCC#CCNC(=O)c3nc4nc(C)cc(C)n4n3)nc2n1 ZINC000680339964 1072774377 /nfs/dbraw/zinc/77/43/77/1072774377.db2.gz QQVJRRVGBJXGJU-UHFFFAOYSA-N 0 0 432.448 -0.041 20 30 IBEDRN O=C(NCC#CCNC(=O)c1ccccc1-n1cnnn1)c1ccccc1-n1cnnn1 ZINC000680339982 1072774416 /nfs/dbraw/zinc/77/44/16/1072774416.db2.gz RKQHFPCZFYEOFW-UHFFFAOYSA-N 0 0 428.416 -0.199 20 30 IBEDRN O=C(NCC#CCNC(=O)c1cccc(-n2cnnn2)c1)c1cccc(-n2cnnn2)c1 ZINC000680340036 1072774888 /nfs/dbraw/zinc/77/48/88/1072774888.db2.gz STHMLCDFPKPLGS-UHFFFAOYSA-N 0 0 428.416 -0.199 20 30 IBEDRN O=C(NCC#CCNC(=O)c1ccnc(-n2cncn2)c1)c1ccnc(-n2cncn2)c1 ZINC000680340299 1072774835 /nfs/dbraw/zinc/77/48/35/1072774835.db2.gz ZDMSCNXYGXTCMJ-UHFFFAOYSA-N 0 0 428.416 -0.199 20 30 IBEDRN O=C(NCC#CCNC(=O)c1cnc2sccn2c1=O)c1cnc2sccn2c1=O ZINC000680340300 1072775002 /nfs/dbraw/zinc/77/50/02/1072775002.db2.gz ZFKURGYCNAXFKX-UHFFFAOYSA-N 0 0 440.466 -0.011 20 30 IBEDRN O=C(NCC#CCNC(=O)c1ccc2c(c1)C(=O)NC2=O)c1ccc2c(c1)C(=O)NC2=O ZINC000680369866 1072774880 /nfs/dbraw/zinc/77/48/80/1072774880.db2.gz ZWOOVKHMUPUCAF-UHFFFAOYSA-N 0 0 430.376 -0.383 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)CNS(=O)(=O)c2ccc(NC(C)=O)cc2)CC1 ZINC000680516244 1072778122 /nfs/dbraw/zinc/77/81/22/1072778122.db2.gz CUCZKXZAYKVROL-UHFFFAOYSA-N 0 0 437.522 -0.630 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)CC1 ZINC000680518352 1072777994 /nfs/dbraw/zinc/77/79/94/1072777994.db2.gz ZLDMYXOQHAUJGE-UHFFFAOYSA-N 0 0 439.538 -0.894 20 30 IBEDRN C=CCNC(=O)CN1CCN(CC(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000680937950 1072780674 /nfs/dbraw/zinc/78/06/74/1072780674.db2.gz DLVGUMKDDQKNJL-MSOLQXFVSA-N 0 0 442.582 -0.899 20 30 IBEDRN C=CCNC(=O)CN1CCN(CC(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000680937952 1072780855 /nfs/dbraw/zinc/78/08/55/1072780855.db2.gz DLVGUMKDDQKNJL-QZTJIDSGSA-N 0 0 442.582 -0.899 20 30 IBEDRN C=CCNC(=O)CN1CCN(CC(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000680937953 1072780764 /nfs/dbraw/zinc/78/07/64/1072780764.db2.gz DLVGUMKDDQKNJL-ROUUACIJSA-N 0 0 442.582 -0.899 20 30 IBEDRN C=CCNC(=O)CN1CCN(CC(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000680937955 1072780660 /nfs/dbraw/zinc/78/06/60/1072780660.db2.gz DLVGUMKDDQKNJL-ZWKOTPCHSA-N 0 0 442.582 -0.899 20 30 IBEDRN C=CCNC(=O)CN1CCN(c2nccnc2N2CCN(CC(=O)NCC=C)CC2)CC1 ZINC000680952619 1072781827 /nfs/dbraw/zinc/78/18/27/1072781827.db2.gz ZIPKWMSQAIPWHX-UHFFFAOYSA-N 0 0 442.568 -0.675 20 30 IBEDRN O=C(NCC#CCNC(=O)c1ccc(-n2cnnn2)cc1)c1ccc(-n2cnnn2)cc1 ZINC000681338445 1072785927 /nfs/dbraw/zinc/78/59/27/1072785927.db2.gz CJEHCKDLZLLSKO-UHFFFAOYSA-N 0 0 428.416 -0.199 20 30 IBEDRN O=C(NCC#CCNC(=O)c1ccc(-n2ccnc2)nn1)c1ccc(-n2ccnc2)nn1 ZINC000681340183 1072786142 /nfs/dbraw/zinc/78/61/42/1072786142.db2.gz AXOOXJFNUAFCMT-UHFFFAOYSA-N 0 0 428.416 -0.199 20 30 IBEDRN O=C(NCC#CCNC(=O)c1cnc2c(c1)NC(=O)CO2)c1cnc2c(c1)NC(=O)CO2 ZINC000681340285 1072786136 /nfs/dbraw/zinc/78/61/36/1072786136.db2.gz FECBWCVJZADWMZ-UHFFFAOYSA-N 0 0 436.384 -0.698 20 30 IBEDRN CS(=O)(=O)C1(C(=O)NCC#CCNC(=O)C2(S(C)(=O)=O)CCCC2)CCCC1 ZINC000681340751 1072786126 /nfs/dbraw/zinc/78/61/26/1072786126.db2.gz PGBWZFSQNNXJDX-UHFFFAOYSA-N 0 0 432.564 -0.063 20 30 IBEDRN O=C(NCC#CCNC(=O)c1cc2c(cn1)nc[nH]c2=O)c1cc2c(cn1)nc[nH]c2=O ZINC000681745694 1072790252 /nfs/dbraw/zinc/79/02/52/1072790252.db2.gz VGLQPLJRICDGGV-UHFFFAOYSA-N 0 0 430.384 -0.063 20 30 IBEDRN Cc1cc(O)cc(=O)n1CCC(=O)NCC#CCNC(=O)CCn1c(C)cc(O)cc1=O ZINC000682165449 1072796209 /nfs/dbraw/zinc/79/62/09/1072796209.db2.gz RDFYRGKXZXILAH-UHFFFAOYSA-N 0 0 442.472 -0.246 20 30 IBEDRN C=CCN(CCOC)C(=O)C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1 ZINC000683040213 1072810410 /nfs/dbraw/zinc/81/04/10/1072810410.db2.gz WAAPGPVLKLBBFY-UHFFFAOYSA-N 0 0 425.511 -0.237 20 30 IBEDRN COc1cc(C=c2sc(=C(C#N)C(=O)[C@H]3CCOC3)n(CC(N)=O)c2=O)ccc1C ZINC000683623295 1070889649 /nfs/dbraw/zinc/88/96/49/1070889649.db2.gz IDGJETFIUMGBQA-AWEZNQCLSA-N 0 0 427.482 -0.179 20 30 IBEDRN COc1cc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCOC3)n(CC(N)=O)c2=O)ccc1C ZINC000683623299 1070889960 /nfs/dbraw/zinc/88/99/60/1070889960.db2.gz IDGJETFIUMGBQA-CQSZACIVSA-N 0 0 427.482 -0.179 20 30 IBEDRN C=CCNS(=O)(=O)c1cccc(C(=O)N(CC)CC(=O)N[C@H]2CCS(=O)(=O)C2)c1 ZINC000683740362 1070905019 /nfs/dbraw/zinc/90/50/19/1070905019.db2.gz JGCISEAVHGVVPO-HNNXBMFYSA-N 0 0 443.547 -0.084 20 30 IBEDRN C=CCNS(=O)(=O)c1cccc(C(=O)N(CC)CC(=O)N[C@@H]2CCS(=O)(=O)C2)c1 ZINC000683740363 1070904965 /nfs/dbraw/zinc/90/49/65/1070904965.db2.gz JGCISEAVHGVVPO-OAHLLOKOSA-N 0 0 443.547 -0.084 20 30 IBEDRN C=CCNS(=O)(=O)c1ccc(C(=O)N(CC)CC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 ZINC000683740459 1070905198 /nfs/dbraw/zinc/90/51/98/1070905198.db2.gz OMJLTEXWGXGLON-HNNXBMFYSA-N 0 0 443.547 -0.084 20 30 IBEDRN C=CCNS(=O)(=O)c1ccc(C(=O)N(CC)CC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000683740460 1070905119 /nfs/dbraw/zinc/90/51/19/1070905119.db2.gz OMJLTEXWGXGLON-OAHLLOKOSA-N 0 0 443.547 -0.084 20 30 IBEDRN C=CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)CC1 ZINC000684113390 1070953829 /nfs/dbraw/zinc/95/38/29/1070953829.db2.gz FWFLFCIEYMJPPN-UHFFFAOYSA-N 0 0 430.552 -0.455 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)c2sccc2S(=O)(=O)N2CCOCC2)CC1 ZINC000684124672 1070956086 /nfs/dbraw/zinc/95/60/86/1070956086.db2.gz PJNRMBKUQNHHIY-UHFFFAOYSA-N 0 0 442.563 -0.171 20 30 IBEDRN CN(C)C(=O)Cn1c(=O)c(=Cc2ccccn2)sc1=C(C#N)C(=O)[C@H]1CCCOC1 ZINC000684535101 1071022654 /nfs/dbraw/zinc/02/26/54/1071022654.db2.gz HMQBHQUCXMSNQC-AWEZNQCLSA-N 0 0 426.498 -0.108 20 30 IBEDRN CN(C)C(=O)Cn1c(=O)c(=Cc2ccccn2)sc1=C(C#N)C(=O)[C@@H]1CCCOC1 ZINC000684535102 1071022752 /nfs/dbraw/zinc/02/27/52/1071022752.db2.gz HMQBHQUCXMSNQC-CQSZACIVSA-N 0 0 426.498 -0.108 20 30 IBEDRN CCn1nccc1C=c1sc(=C(C#N)C(=O)[C@H]2CCCOC2)n(CC(=O)N(C)C)c1=O ZINC000684535454 1071022846 /nfs/dbraw/zinc/02/28/46/1071022846.db2.gz OOBSHIATANKXPC-AWEZNQCLSA-N 0 0 443.529 -0.287 20 30 IBEDRN CCn1nccc1C=c1sc(=C(C#N)C(=O)[C@@H]2CCCOC2)n(CC(=O)N(C)C)c1=O ZINC000684535455 1071022858 /nfs/dbraw/zinc/02/28/58/1071022858.db2.gz OOBSHIATANKXPC-CQSZACIVSA-N 0 0 443.529 -0.287 20 30 IBEDRN CN(C)C(=O)Cn1c(=O)c(=Cc2ccc(C#N)o2)sc1=C(C#N)C(=O)[C@@H]1CCCOC1 ZINC000684535750 1071023251 /nfs/dbraw/zinc/02/32/51/1071023251.db2.gz SVUBYTQEWPRTJH-CYBMUJFWSA-N 0 0 440.481 -0.039 20 30 IBEDRN CN(C)C(=O)Cn1c(=O)c(=Cc2ccc(C#N)o2)sc1=C(C#N)C(=O)[C@H]1CCCOC1 ZINC000684535751 1071023405 /nfs/dbraw/zinc/02/34/05/1071023405.db2.gz SVUBYTQEWPRTJH-ZDUSSCGKSA-N 0 0 440.481 -0.039 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H](C)c2ccc(-n3ccnn3)cc2)CC1 ZINC000685422948 1071243992 /nfs/dbraw/zinc/24/39/92/1071243992.db2.gz TVFMKZONXHIAIC-INIZCTEOSA-N 0 0 425.493 -0.109 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H](C)c2ccc(-n3ccnn3)cc2)CC1 ZINC000685422949 1071243873 /nfs/dbraw/zinc/24/38/73/1071243873.db2.gz TVFMKZONXHIAIC-MRXNPFEDSA-N 0 0 425.493 -0.109 20 30 IBEDRN COCCn1c(N)c(C(=O)CN2CCN(c3snc(C)c3C#N)CC2)c(=O)[nH]c1=O ZINC000685596858 1071251400 /nfs/dbraw/zinc/25/14/00/1071251400.db2.gz STYFVSRVEFYBDO-UHFFFAOYSA-N 0 0 433.494 -0.181 20 30 IBEDRN CCOCCn1c(=O)c(=Cc2c(C)nn(C)c2C)sc1=C(C#N)C(=O)NCCOC ZINC000725763925 1072825520 /nfs/dbraw/zinc/82/55/20/1072825520.db2.gz AELKDWMZQAHKND-UHFFFAOYSA-N 0 0 433.534 -0.438 20 30 IBEDRN CCOCCn1c(=O)c(=Cc2cnn(C)c2)sc1=C(C#N)C(=O)N1CCN(CC)CC1 ZINC000725764154 1072825555 /nfs/dbraw/zinc/82/55/55/1072825555.db2.gz JOZCOZPBRXQNKS-UHFFFAOYSA-N 0 0 444.561 -0.653 20 30 IBEDRN CCOCCn1c(=O)c(=Cc2c(C)nn(C)c2C)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000725764234 1072825350 /nfs/dbraw/zinc/82/53/50/1072825350.db2.gz KMSOINHYEHZPAL-UHFFFAOYSA-N 0 0 445.545 -0.341 20 30 IBEDRN CCOCCn1c(=O)c(=Cc2c(C)nn(C)c2C)sc1=C(C#N)C(=O)NCCCOC ZINC000725764485 1071141714 /nfs/dbraw/zinc/14/17/14/1071141714.db2.gz VZQJUUWSQPPUOF-UHFFFAOYSA-N 0 0 447.561 -0.048 20 30 IBEDRN CC(C)NC(=O)C(=O)N1CCN(CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)CC1 ZINC000725769466 1072825441 /nfs/dbraw/zinc/82/54/41/1072825441.db2.gz UYPSMZJVDXCZDO-NRFANRHFSA-N 0 0 426.477 -0.048 20 30 IBEDRN CC(C)NC(=O)C(=O)N1CCN(CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)CC1 ZINC000725769468 1072825496 /nfs/dbraw/zinc/82/54/96/1072825496.db2.gz UYPSMZJVDXCZDO-OAQYLSRUSA-N 0 0 426.477 -0.048 20 30 IBEDRN C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC000725826471 1072826041 /nfs/dbraw/zinc/82/60/41/1072826041.db2.gz UAULRRYBOBRDGT-AWEZNQCLSA-N 0 0 432.545 -0.062 20 30 IBEDRN C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC000725826472 1072826064 /nfs/dbraw/zinc/82/60/64/1072826064.db2.gz UAULRRYBOBRDGT-CQSZACIVSA-N 0 0 432.545 -0.062 20 30 IBEDRN Cn1cc(CC(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cn1 ZINC000726000926 1072828664 /nfs/dbraw/zinc/82/86/64/1072828664.db2.gz VBZWAZAVWXORIH-UHFFFAOYSA-N 0 0 431.474 -0.089 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)Nc2ccc(CN3CCOCC3)cc2)C1=O ZINC000726038601 1072828690 /nfs/dbraw/zinc/82/86/90/1072828690.db2.gz QITNDWBSVUIEJF-UHFFFAOYSA-N 0 0 444.444 -0.023 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)OCc2nnnn2-c2ccc(S(C)(=O)=O)cc2)C1=O ZINC000726041323 1072829236 /nfs/dbraw/zinc/82/92/36/1072829236.db2.gz ZXJHZBARKHWDCP-UHFFFAOYSA-N 0 0 448.417 -0.914 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)N2CCN(c3ccc(F)cc3)CC2)C1=O ZINC000726041979 1072829316 /nfs/dbraw/zinc/82/93/16/1072829316.db2.gz APXIXIRYNLBHEV-UHFFFAOYSA-N 0 0 432.408 -0.006 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)N2CCN(Cc3ccsc3)CC2)C1=O ZINC000726042014 1072829185 /nfs/dbraw/zinc/82/91/85/1072829185.db2.gz BPXLNIXVEVWDEZ-UHFFFAOYSA-N 0 0 434.474 -0.088 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)Nc2ccc(N3CCOCC3)cc2)C1=O ZINC000726042064 1072829379 /nfs/dbraw/zinc/82/93/79/1072829379.db2.gz CWZPFKVPDSOXEY-UHFFFAOYSA-N 0 0 430.417 -0.018 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)OCc2nnc3n2c2ccc(C)cc2c(=O)n3C)C1=O ZINC000726042143 1072829331 /nfs/dbraw/zinc/82/93/31/1072829331.db2.gz DVAXCLGOKGXBLL-UHFFFAOYSA-N 0 0 438.400 -0.090 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)C1=O ZINC000726042146 1072829455 /nfs/dbraw/zinc/82/94/55/1072829455.db2.gz DRIBITCUJWZPFE-UHFFFAOYSA-N 0 0 428.357 -0.629 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](C(=O)N2CCC(C(=O)OC)CC2)C(C)C)C1=O ZINC000726042225 1072829297 /nfs/dbraw/zinc/82/92/97/1072829297.db2.gz GOIASZSTWARIKM-HNNXBMFYSA-N 0 0 437.449 -0.057 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](C(=O)N2CCC(C(=O)OC)CC2)C(C)C)C1=O ZINC000726042226 1072829466 /nfs/dbraw/zinc/82/94/66/1072829466.db2.gz GOIASZSTWARIKM-OAHLLOKOSA-N 0 0 437.449 -0.057 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)Nc2sc3c(c2C(N)=O)CCC3)C1=O ZINC000726042261 1072829434 /nfs/dbraw/zinc/82/94/34/1072829434.db2.gz FYHNKPGPESDCSP-UHFFFAOYSA-N 0 0 434.430 -0.206 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](C(=O)N[C@@]2(C)CCS(=O)(=O)C2)C(C)C)C1=O ZINC000726042513 1072829446 /nfs/dbraw/zinc/82/94/46/1072829446.db2.gz JWKVXRQSXQEZNM-ACJLOTCBSA-N 0 0 443.478 -0.776 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](C(=O)N[C@]2(C)CCS(=O)(=O)C2)C(C)C)C1=O ZINC000726042517 1072829273 /nfs/dbraw/zinc/82/92/73/1072829273.db2.gz JWKVXRQSXQEZNM-FZKQIMNGSA-N 0 0 443.478 -0.776 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](C(=O)N[C@]2(C)CCS(=O)(=O)C2)C(C)C)C1=O ZINC000726042518 1072829415 /nfs/dbraw/zinc/82/94/15/1072829415.db2.gz JWKVXRQSXQEZNM-SCLBCKFNSA-N 0 0 443.478 -0.776 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](C(=O)N[C@@]2(C)CCS(=O)(=O)C2)C(C)C)C1=O ZINC000726042520 1072829361 /nfs/dbraw/zinc/82/93/61/1072829361.db2.gz JWKVXRQSXQEZNM-UGSOOPFHSA-N 0 0 443.478 -0.776 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)OCc2nnc3n2c2ccsc2c(=O)n3C)C1=O ZINC000726042719 1072829404 /nfs/dbraw/zinc/82/94/04/1072829404.db2.gz LIKRMDKQMKMOTL-UHFFFAOYSA-N 0 0 430.402 -0.337 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)NCC(=O)Nc2ccc(F)c(F)c2)C1=O ZINC000726042775 1072829484 /nfs/dbraw/zinc/82/94/84/1072829484.db2.gz MOTCJXYITZDHNS-UHFFFAOYSA-N 0 0 438.343 -0.461 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](C)C(=O)Nc2ccccc2S(C)(=O)=O)C1=O ZINC000726042841 1072829345 /nfs/dbraw/zinc/82/93/45/1072829345.db2.gz HMNKRPVBPWERIX-LLVKDONJSA-N 0 0 437.430 -0.063 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](C)C(=O)Nc2ccccc2S(C)(=O)=O)C1=O ZINC000726042845 1072829257 /nfs/dbraw/zinc/82/92/57/1072829257.db2.gz HMNKRPVBPWERIX-NSHDSACASA-N 0 0 437.430 -0.063 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)C1=O ZINC000726042846 1072829211 /nfs/dbraw/zinc/82/92/11/1072829211.db2.gz NJLAOUBOEWSHOI-UHFFFAOYSA-N 0 0 437.430 -0.215 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)N2CCN(C(=O)c3cccs3)CC2)C1=O ZINC000726042926 1072829763 /nfs/dbraw/zinc/82/97/63/1072829763.db2.gz PBAWCBYRXRQNKW-UHFFFAOYSA-N 0 0 448.457 -0.448 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)OCc2cc(=O)n3ncc(C(=O)OCC)c3[nH]2)C1=O ZINC000726042961 1072829837 /nfs/dbraw/zinc/82/98/37/1072829837.db2.gz NVWDKHOHYWQISD-UHFFFAOYSA-N 0 0 431.361 -0.368 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)N2CCC(C(=O)N(C)C(C)C)CC2)C1=O ZINC000726042964 1072830381 /nfs/dbraw/zinc/83/03/81/1072830381.db2.gz NXBNZBHUGNXQGW-UHFFFAOYSA-N 0 0 436.465 -0.388 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)NCc2ccc(N3CCCC3=O)cc2)C1=O ZINC000726042989 1072830517 /nfs/dbraw/zinc/83/05/17/1072830517.db2.gz OFCLWQONWSDJFU-UHFFFAOYSA-N 0 0 442.428 -0.050 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)NCc2ccc(S(C)(=O)=O)cc2)C1=O ZINC000726043013 1072830325 /nfs/dbraw/zinc/83/03/25/1072830325.db2.gz OKCRUALJHVNSDD-UHFFFAOYSA-N 0 0 437.430 -0.774 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)N2CCN(c3ccccc3F)CC2)C1=O ZINC000726043089 1072829798 /nfs/dbraw/zinc/82/97/98/1072829798.db2.gz PONYEEMHRHABNO-UHFFFAOYSA-N 0 0 432.408 -0.006 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)C1=O ZINC000726043143 1072829926 /nfs/dbraw/zinc/82/99/26/1072829926.db2.gz KOVANYSIFYZACH-UHFFFAOYSA-N 0 0 449.420 -0.962 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)N2CCN(Cc3cccs3)CC2)C1=O ZINC000726043163 1072829877 /nfs/dbraw/zinc/82/98/77/1072829877.db2.gz RAXJTGSCWNRNRO-UHFFFAOYSA-N 0 0 434.474 -0.088 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)N2CCN(c3ccc(OC)cc3)CC2)C1=O ZINC000726043169 1072829865 /nfs/dbraw/zinc/82/98/65/1072829865.db2.gz RAYTZPAZOATJRX-UHFFFAOYSA-N 0 0 444.444 -0.136 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)OCc2nc3c(c(=O)[nH]c(=O)n3CCCC)n2C)C1=O ZINC000726043222 1072829812 /nfs/dbraw/zinc/82/98/12/1072829812.db2.gz SOXFFINVKVQNSR-UHFFFAOYSA-N 0 0 446.420 -0.344 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](C)C(=O)N(CCC)[C@@H]2CCS(=O)(=O)C2)C1=O ZINC000726043345 1072829914 /nfs/dbraw/zinc/82/99/14/1072829914.db2.gz NFOLSILGTJCFNO-CHWSQXEVSA-N 0 0 443.478 -0.679 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](C)C(=O)N(CCC)[C@H]2CCS(=O)(=O)C2)C1=O ZINC000726043356 1072829787 /nfs/dbraw/zinc/82/97/87/1072829787.db2.gz NFOLSILGTJCFNO-OLZOCXBDSA-N 0 0 443.478 -0.679 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](C)C(=O)N(CCC)[C@@H]2CCS(=O)(=O)C2)C1=O ZINC000726043358 1072829854 /nfs/dbraw/zinc/82/98/54/1072829854.db2.gz NFOLSILGTJCFNO-QWHCGFSZSA-N 0 0 443.478 -0.679 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](C)C(=O)N(CCC)[C@H]2CCS(=O)(=O)C2)C1=O ZINC000726043361 1072829951 /nfs/dbraw/zinc/82/99/51/1072829951.db2.gz NFOLSILGTJCFNO-STQMWFEESA-N 0 0 443.478 -0.679 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1=O ZINC000726043400 1072829903 /nfs/dbraw/zinc/82/99/03/1072829903.db2.gz TUESPVDNYUJCNF-UHFFFAOYSA-N 0 0 444.404 -0.977 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)C1=O ZINC000726043411 1072829938 /nfs/dbraw/zinc/82/99/38/1072829938.db2.gz NSHWNDBJTFHETE-UHFFFAOYSA-N 0 0 446.372 -0.374 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)N2CCN(Cc3ccccc3)CC2)C1=O ZINC000726043498 1072829730 /nfs/dbraw/zinc/82/97/30/1072829730.db2.gz VMMXRHKHYCNGMA-UHFFFAOYSA-N 0 0 428.445 -0.149 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)N(CC(C)C)[C@@H]2CCS(=O)(=O)C2)C1=O ZINC000726043583 1072829962 /nfs/dbraw/zinc/82/99/62/1072829962.db2.gz YJVMFJSTFADYJJ-CYBMUJFWSA-N 0 0 443.478 -0.822 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)C1=O ZINC000726043588 1072829844 /nfs/dbraw/zinc/82/98/44/1072829844.db2.gz YJVMFJSTFADYJJ-ZDUSSCGKSA-N 0 0 443.478 -0.822 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)N(C)CC(=O)Nc2ccc(C)cc2)C1=O ZINC000726043593 1072829748 /nfs/dbraw/zinc/82/97/48/1072829748.db2.gz WNCGTDUVRDBIBX-UHFFFAOYSA-N 0 0 430.417 -0.088 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)N2CCN(C(=O)c3ccco3)CC2)C1=O ZINC000726043684 1072829716 /nfs/dbraw/zinc/82/97/16/1072829716.db2.gz ZRHAVJKGTOPTSP-UHFFFAOYSA-N 0 0 432.389 -0.916 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](C)C(=O)N2CCN(C(=O)c3ccco3)CC2)C1=O ZINC000726043776 1072829391 /nfs/dbraw/zinc/82/93/91/1072829391.db2.gz RNKIUYPFKBCKNL-CYBMUJFWSA-N 0 0 446.416 -0.528 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](C)C(=O)N2CCN(C(=O)c3ccco3)CC2)C1=O ZINC000726043778 1072829421 /nfs/dbraw/zinc/82/94/21/1072829421.db2.gz RNKIUYPFKBCKNL-ZDUSSCGKSA-N 0 0 446.416 -0.528 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](C)C(=O)N2CCN(c3ccccc3O)CC2)C1=O ZINC000726043890 1072829832 /nfs/dbraw/zinc/82/98/32/1072829832.db2.gz UWQGOLVQZDCRFM-AWEZNQCLSA-N 0 0 444.444 -0.051 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](C)C(=O)N2CCN(c3ccccc3O)CC2)C1=O ZINC000726043891 1072829774 /nfs/dbraw/zinc/82/97/74/1072829774.db2.gz UWQGOLVQZDCRFM-CQSZACIVSA-N 0 0 444.444 -0.051 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)NC(=O)Nc2ccc3c(c2)OCO3)C1=O ZINC000726043918 1072830300 /nfs/dbraw/zinc/83/03/00/1072830300.db2.gz VWMYFWIQXUNDRO-UHFFFAOYSA-N 0 0 432.345 -0.417 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](C)C(=O)N2CCN(c3ncccn3)CC2)C1=O ZINC000726043947 1072830310 /nfs/dbraw/zinc/83/03/10/1072830310.db2.gz WOURMVAPWGJBPM-CYBMUJFWSA-N 0 0 430.421 -0.966 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](C)C(=O)N2CCN(c3ncccn3)CC2)C1=O ZINC000726043948 1072830414 /nfs/dbraw/zinc/83/04/14/1072830414.db2.gz WOURMVAPWGJBPM-ZDUSSCGKSA-N 0 0 430.421 -0.966 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](C)C(=O)NC[C@@H]2COc3ccccc3O2)C1=O ZINC000726043989 1072830396 /nfs/dbraw/zinc/83/03/96/1072830396.db2.gz XSSBPPJKSMQEPA-CHWSQXEVSA-N 0 0 431.401 -0.149 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](C)C(=O)NC[C@H]2COc3ccccc3O2)C1=O ZINC000726043990 1072830340 /nfs/dbraw/zinc/83/03/40/1072830340.db2.gz XSSBPPJKSMQEPA-OLZOCXBDSA-N 0 0 431.401 -0.149 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](C)C(=O)NC[C@@H]2COc3ccccc3O2)C1=O ZINC000726043991 1072830545 /nfs/dbraw/zinc/83/05/45/1072830545.db2.gz XSSBPPJKSMQEPA-QWHCGFSZSA-N 0 0 431.401 -0.149 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](C)C(=O)NC[C@H]2COc3ccccc3O2)C1=O ZINC000726043992 1072830558 /nfs/dbraw/zinc/83/05/58/1072830558.db2.gz XSSBPPJKSMQEPA-STQMWFEESA-N 0 0 431.401 -0.149 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)OCCOc2ccc(S(=O)(=O)N(C)C)cc2)C1=O ZINC000726044029 1072830360 /nfs/dbraw/zinc/83/03/60/1072830360.db2.gz ZFUWYRGYIUNHKW-UHFFFAOYSA-N 0 0 439.446 -0.164 20 30 IBEDRN CNC(=O)CC1S/C(=N\CCc2ccccn2)N(CCCNS(C)(=O)=O)C1=O ZINC000726109393 1072830873 /nfs/dbraw/zinc/83/08/73/1072830873.db2.gz AUVSLKQRBXAZOZ-LVHCJKAXSA-N 0 0 427.552 -0.001 20 30 IBEDRN CNC(=O)CC1S/C(=N/CCc2ccccn2)N(CCCNS(C)(=O)=O)C1=O ZINC000726109403 1072830969 /nfs/dbraw/zinc/83/09/69/1072830969.db2.gz AUVSLKQRBXAZOZ-SHUBJWRZSA-N 0 0 427.552 -0.001 20 30 IBEDRN CNC(=O)CC1S/C(=N/CCc2ccccn2)N(CCCNS(C)(=O)=O)C1=O ZINC000726109405 1072830951 /nfs/dbraw/zinc/83/09/51/1072830951.db2.gz AUVSLKQRBXAZOZ-SYLQMPFCSA-N 0 0 427.552 -0.001 20 30 IBEDRN CNC(=O)CC1S/C(=N\CCc2ccccn2)N(CCCNS(C)(=O)=O)C1=O ZINC000726109407 1072830918 /nfs/dbraw/zinc/83/09/18/1072830918.db2.gz AUVSLKQRBXAZOZ-UXPDKRSESA-N 0 0 427.552 -0.001 20 30 IBEDRN CCn1cc(-n2c(=O)c(=Cc3cnn(C)c3)sc2=C(C#N)C(=O)N2CCOCC2)cn1 ZINC000726180280 1072831515 /nfs/dbraw/zinc/83/15/15/1072831515.db2.gz FARXUDOVQQPIOS-UHFFFAOYSA-N 0 0 439.501 -0.789 20 30 IBEDRN CCn1cc(-n2c(=O)c(=Cc3cnn(C)c3)sc2=C(C#N)C(=O)N[C@H](C)COC)cn1 ZINC000726180530 1072831535 /nfs/dbraw/zinc/83/15/35/1072831535.db2.gz NEYMKAJPSGECBW-CYBMUJFWSA-N 0 0 441.517 -0.497 20 30 IBEDRN CCn1cc(-n2c(=O)c(=Cc3cnn(C)c3)sc2=C(C#N)C(=O)N[C@@H](C)COC)cn1 ZINC000726180532 1072831220 /nfs/dbraw/zinc/83/12/20/1072831220.db2.gz NEYMKAJPSGECBW-ZDUSSCGKSA-N 0 0 441.517 -0.497 20 30 IBEDRN CCn1cc(-n2c(=O)c(=Cc3cnn(C)c3)sc2=C(C#N)C(=O)NCCOC)cn1 ZINC000726180724 1072831426 /nfs/dbraw/zinc/83/14/26/1072831426.db2.gz UKEPVXVOJPGYEW-UHFFFAOYSA-N 0 0 427.490 -0.885 20 30 IBEDRN CCn1cc(-n2c(=O)c(=Cc3cnn(C)c3)sc2=C(C#N)C(=O)NCCCOC)cn1 ZINC000726180783 1072831376 /nfs/dbraw/zinc/83/13/76/1072831376.db2.gz VGBAUSMHUXPXMX-UHFFFAOYSA-N 0 0 441.517 -0.495 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1CCc1ccccn1 ZINC000726182311 1072831333 /nfs/dbraw/zinc/83/13/33/1072831333.db2.gz OHQFXXMPVGGQKP-UHFFFAOYSA-N 0 0 438.513 -0.453 20 30 IBEDRN CNC(=O)CC1SC(=Nc2ccc(C(N)=O)cc2)N(CCCNS(C)(=O)=O)C1=O ZINC000726401406 1072834099 /nfs/dbraw/zinc/83/40/99/1072834099.db2.gz PINPLPWNRYFOJN-CYBMUJFWSA-N 0 0 441.535 -0.208 20 30 IBEDRN CNC(=O)CC1SC(=Nc2ccc(C(N)=O)cc2)N(CCCNS(C)(=O)=O)C1=O ZINC000726401407 1072834223 /nfs/dbraw/zinc/83/42/23/1072834223.db2.gz PINPLPWNRYFOJN-ZDUSSCGKSA-N 0 0 441.535 -0.208 20 30 IBEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000726576914 1072835104 /nfs/dbraw/zinc/83/51/04/1072835104.db2.gz DKEKKSHLHSSCBV-UHFFFAOYSA-N 0 0 436.497 -0.239 20 30 IBEDRN Cn1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccc(C(N)=O)cc3)c2=O)cn1 ZINC000726577038 1072835153 /nfs/dbraw/zinc/83/51/53/1072835153.db2.gz HBYDOEBTUHWRFO-UHFFFAOYSA-N 0 0 434.481 -0.487 20 30 IBEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000726577102 1072834626 /nfs/dbraw/zinc/83/46/26/1072834626.db2.gz IUZNXYIZDLULAA-UHFFFAOYSA-N 0 0 436.497 -0.241 20 30 IBEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000726577133 1072834615 /nfs/dbraw/zinc/83/46/15/1072834615.db2.gz KAMNMAPYOXVZRP-UHFFFAOYSA-N 0 0 434.481 -0.463 20 30 IBEDRN Cn1cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(-c3ccc(C(N)=O)cc3)c2=O)cn1 ZINC000726577946 1072835192 /nfs/dbraw/zinc/83/51/92/1072835192.db2.gz ZQEHHVOXCRVMGW-UHFFFAOYSA-N 0 0 448.508 -0.143 20 30 IBEDRN CNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1cc(OC)ccc1OC ZINC000726578347 1072835182 /nfs/dbraw/zinc/83/51/82/1072835182.db2.gz ZPJQKQUBZIPURM-UHFFFAOYSA-N 0 0 425.470 -0.101 20 30 IBEDRN C#Cc1cccc(-n2c(=O)c(=Cc3ccnn3C)sc2=C(C#N)C(=O)N2CCOCC2)c1 ZINC000726580763 1072835201 /nfs/dbraw/zinc/83/52/01/1072835201.db2.gz CGTPFLSVESZUFF-UHFFFAOYSA-N 0 0 445.504 -0.024 20 30 IBEDRN C#Cc1cccc(-n2c(=O)c(=Cc3ccnn3C)sc2=C(C#N)C(=O)NCCOC)c1 ZINC000726581153 1072835210 /nfs/dbraw/zinc/83/52/10/1072835210.db2.gz NRJNDABOSQKJQL-UHFFFAOYSA-N 0 0 433.493 -0.121 20 30 IBEDRN C#Cc1cccc(-n2c(=O)c(=Cc3cnn(C)c3)sc2=C(C#N)C(=O)NCCOC)c1 ZINC000726581421 1072835234 /nfs/dbraw/zinc/83/52/34/1072835234.db2.gz UZLLKKDMHYXKKK-UHFFFAOYSA-N 0 0 433.493 -0.121 20 30 IBEDRN C#Cc1cccc(-n2c(=O)c(=Cc3cnn(C)c3)sc2=C(C#N)C(=O)N2CCOCC2)c1 ZINC000726581518 1072835162 /nfs/dbraw/zinc/83/51/62/1072835162.db2.gz ZOOZZISDAIODIE-UHFFFAOYSA-N 0 0 445.504 -0.024 20 30 IBEDRN CC(C)NC(=O)C(=O)N1CCN(CN2CC(=O)N(Cc3ccc(C#N)cc3)C2=O)CC1 ZINC000726584498 1072835219 /nfs/dbraw/zinc/83/52/19/1072835219.db2.gz DGODSKZCJALXBG-UHFFFAOYSA-N 0 0 426.477 -0.051 20 30 IBEDRN CC(C)NC(=O)C(=O)N1CCN(CN2CC(=O)N(Cc3ccccc3C#N)C2=O)CC1 ZINC000726584863 1072835079 /nfs/dbraw/zinc/83/50/79/1072835079.db2.gz IZHJPOYZXBHSFZ-UHFFFAOYSA-N 0 0 426.477 -0.051 20 30 IBEDRN C#CCNC(=O)C1CCN(C(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)CC1 ZINC000726710641 1072837734 /nfs/dbraw/zinc/83/77/34/1072837734.db2.gz LIEWQOQEPGPOFN-UHFFFAOYSA-N 0 0 427.509 -0.314 20 30 IBEDRN C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(OC)c(-n3nnnc3C)c2)CC1 ZINC000726722790 1072837832 /nfs/dbraw/zinc/83/78/32/1072837832.db2.gz WRNKJKJQHJNOCE-UHFFFAOYSA-N 0 0 425.449 -0.094 20 30 IBEDRN CC(=O)NC(C)(C)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000726837084 1072839651 /nfs/dbraw/zinc/83/96/51/1072839651.db2.gz ATHNLUDUXWOUNL-UHFFFAOYSA-N 0 0 436.490 -0.151 20 30 IBEDRN O=C(CN=C1NS(=O)(=O)c2ccccc21)N1CCN(C(=O)c2ccc(=O)[nH]c2)CC1 ZINC000726864220 1072839785 /nfs/dbraw/zinc/83/97/85/1072839785.db2.gz UFLBFUGDYVVYJC-UHFFFAOYSA-N 0 0 429.458 -0.190 20 30 IBEDRN CN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)[C@H]1CCCCNC1=O ZINC000726866591 1072840447 /nfs/dbraw/zinc/84/04/47/1072840447.db2.gz MNJXFJGECKRAFY-KRWDZBQOSA-N 0 0 433.534 -0.008 20 30 IBEDRN CN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)[C@@H]1CCCCNC1=O ZINC000726866592 1072840385 /nfs/dbraw/zinc/84/03/85/1072840385.db2.gz MNJXFJGECKRAFY-QGZVFWFLSA-N 0 0 433.534 -0.008 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc(OC)nc1 ZINC000726960924 1072841134 /nfs/dbraw/zinc/84/11/34/1072841134.db2.gz DVWMBILESNQKQN-UHFFFAOYSA-N 0 0 440.485 -0.698 20 30 IBEDRN Cn1cc(S(=O)(=O)NCC(=O)OCC(=O)Nc2c(C#N)cnn2-c2ccccc2)cn1 ZINC000726998138 1072841660 /nfs/dbraw/zinc/84/16/60/1072841660.db2.gz ZKQFKAZMPGERTD-UHFFFAOYSA-N 0 0 443.445 -0.062 20 30 IBEDRN N#Cc1ccc(C(=O)NCC(=O)OCC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000727009915 1073371340 /nfs/dbraw/zinc/37/13/40/1073371340.db2.gz FCUYVNCZTSINKH-KRWDZBQOSA-N 0 0 448.501 -0.837 20 30 IBEDRN N#Cc1ccc(C(=O)NCC(=O)OCC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000727009916 1073371415 /nfs/dbraw/zinc/37/14/15/1073371415.db2.gz FCUYVNCZTSINKH-QGZVFWFLSA-N 0 0 448.501 -0.837 20 30 IBEDRN N#Cc1ccc(C(=O)NCC(=O)OCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000727011033 1073371483 /nfs/dbraw/zinc/37/14/83/1073371483.db2.gz WIVAXCJIULVXAG-UHFFFAOYSA-N 0 0 444.469 -0.162 20 30 IBEDRN CC(C)Cn1c(N)c(C(=O)COC(=O)CNC(=O)c2ccc(C#N)cc2)c(=O)n(C)c1=O ZINC000727012134 1073371356 /nfs/dbraw/zinc/37/13/56/1073371356.db2.gz GMFYKRGHVXLGCC-UHFFFAOYSA-N 0 0 441.444 -0.187 20 30 IBEDRN CS(=O)(=O)NCCNC(=S)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000727069724 1073371743 /nfs/dbraw/zinc/37/17/43/1073371743.db2.gz GIFHXAUVLVHPTQ-UHFFFAOYSA-N 0 0 431.565 -0.712 20 30 IBEDRN CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1CC(N)=O ZINC000727160339 1073373686 /nfs/dbraw/zinc/37/36/86/1073373686.db2.gz BMQXNIKNWBCXSP-UHFFFAOYSA-N 0 0 430.534 -0.378 20 30 IBEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)ccc2OC)c(=O)n1CC(N)=O ZINC000727160341 1073373593 /nfs/dbraw/zinc/37/35/93/1073373593.db2.gz BNFYXCOCYYBOPF-UHFFFAOYSA-N 0 0 432.889 -0.138 20 30 IBEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1CC(N)=O ZINC000727160384 1073373743 /nfs/dbraw/zinc/37/37/43/1073373743.db2.gz CMEDLUCONXLTPC-UHFFFAOYSA-N 0 0 446.533 -0.998 20 30 IBEDRN COc1ccc(Cl)cc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(CC(N)=O)c1=O ZINC000727160752 1073373703 /nfs/dbraw/zinc/37/37/03/1073373703.db2.gz KCLOHGQFZVCUBM-UHFFFAOYSA-N 0 0 432.889 -0.161 20 30 IBEDRN COC(=O)COc1c(C)cc(C=c2sc(=C(C#N)C#N)n(CC(N)=O)c2=O)cc1C ZINC000727160786 1073373522 /nfs/dbraw/zinc/37/35/22/1073373522.db2.gz KXKHDOKUZUPRBJ-UHFFFAOYSA-N 0 0 426.454 -0.410 20 30 IBEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1CC(N)=O ZINC000727161042 1073373695 /nfs/dbraw/zinc/37/36/95/1073373695.db2.gz NQWVFGFKSKVRTB-UHFFFAOYSA-N 0 0 430.534 -0.234 20 30 IBEDRN N#CC(C(=O)NC1CC1)=c1sc(=Cc2cnc(-c3ccccc3)nc2)c(=O)n1CC(N)=O ZINC000727161244 1073373710 /nfs/dbraw/zinc/37/37/10/1073373710.db2.gz SNQJNDFPTXGKPK-UHFFFAOYSA-N 0 0 446.492 -0.366 20 30 IBEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cnc(-c3ccccc3)nc2)c(=O)n1CC(N)=O ZINC000727161247 1073373576 /nfs/dbraw/zinc/37/35/76/1073373576.db2.gz SPEVWOFJCWEGCG-UHFFFAOYSA-N 0 0 446.492 -0.343 20 30 IBEDRN CC(C)(C)n1cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CC(N)=O)c2=O)cn1 ZINC000727161287 1073373753 /nfs/dbraw/zinc/37/37/53/1073373753.db2.gz UVYKVCZQVNMXSE-UHFFFAOYSA-N 0 0 428.518 -0.528 20 30 IBEDRN Cn1cc(C=c2sc(=C(C#N)C(=O)c3ccc4c(c3)OCO4)n(CC(N)=O)c2=O)cn1 ZINC000727161339 1073373621 /nfs/dbraw/zinc/37/36/21/1073373621.db2.gz WKKHSBZJUOHEGY-UHFFFAOYSA-N 0 0 437.437 -0.757 20 30 IBEDRN CC(C)(C)n1cc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(CC(N)=O)c2=O)cn1 ZINC000727161387 1073373629 /nfs/dbraw/zinc/37/36/29/1073373629.db2.gz XVBDBIFRGKNWHC-UHFFFAOYSA-N 0 0 442.545 -0.092 20 30 IBEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cnc(-c3ccccc3)nc2)c(=O)n1CC(N)=O ZINC000727161424 1073373585 /nfs/dbraw/zinc/37/35/85/1073373585.db2.gz YNKSYLGBZPMAFN-UHFFFAOYSA-N 0 0 448.508 -0.119 20 30 IBEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2cnc(-c3ccccc3)nc2)c(=O)n1CC(N)=O ZINC000727161473 1073373611 /nfs/dbraw/zinc/37/36/11/1073373611.db2.gz ZFWNXBBNPBDPCV-UHFFFAOYSA-N 0 0 448.508 -0.120 20 30 IBEDRN COc1cc(C=c2sc(=C(C#N)C#N)n(CC(N)=O)c2=O)cc(Br)c1O ZINC000727162700 1073373201 /nfs/dbraw/zinc/37/32/01/1073373201.db2.gz SHTKZFQXZCYFBZ-UHFFFAOYSA-N 0 0 435.259 -0.102 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(Cl)nc1 ZINC000727163339 1073373247 /nfs/dbraw/zinc/37/32/47/1073373247.db2.gz WSLRAJBEVVUTTF-UHFFFAOYSA-N 0 0 444.904 -0.053 20 30 IBEDRN CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1CCNS(C)(=O)=O ZINC000727163398 1073373280 /nfs/dbraw/zinc/37/32/80/1073373280.db2.gz BDDACAFTMRJEDM-GFCCVEGCSA-N 0 0 437.547 -0.689 20 30 IBEDRN CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1CCNS(C)(=O)=O ZINC000727163399 1073373349 /nfs/dbraw/zinc/37/33/49/1073373349.db2.gz BDDACAFTMRJEDM-LBPRGKRZSA-N 0 0 437.547 -0.689 20 30 IBEDRN Cn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCNS(C)(=O)=O)c2=O)cn1 ZINC000727163481 1073373313 /nfs/dbraw/zinc/37/33/13/1073373313.db2.gz DCAFCYBZKNUYGA-UHFFFAOYSA-N 0 0 435.531 -0.935 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc(Cl)nc1 ZINC000727163590 1073373325 /nfs/dbraw/zinc/37/33/25/1073373325.db2.gz BUVYCADXUYHEOF-UHFFFAOYSA-N 0 0 444.904 -0.053 20 30 IBEDRN CC(C)CC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1CCNS(C)(=O)=O ZINC000727163697 1073373387 /nfs/dbraw/zinc/37/33/87/1073373387.db2.gz GAVUJPVVCZCKON-UHFFFAOYSA-N 0 0 437.547 -0.689 20 30 IBEDRN COCCOc1cccc(C=c2sc(=C(C#N)C#N)n(CCNS(C)(=O)=O)c2=O)c1 ZINC000727163769 1073373237 /nfs/dbraw/zinc/37/32/37/1073373237.db2.gz IAWOXZVZFNNVFR-UHFFFAOYSA-N 0 0 448.526 -0.489 20 30 IBEDRN Cn1cc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(CCNS(C)(=O)=O)c2=O)cn1 ZINC000727164241 1073373191 /nfs/dbraw/zinc/37/31/91/1073373191.db2.gz NQJCTTPZLUYJOX-UHFFFAOYSA-N 0 0 437.547 -0.689 20 30 IBEDRN COC(=O)c1ccc(C=c2sc(=C(C#N)C#N)n(CCNS(C)(=O)=O)c2=O)cc1 ZINC000727164519 1073373085 /nfs/dbraw/zinc/37/30/85/1073373085.db2.gz PTIHTKYLLMZAES-UHFFFAOYSA-N 0 0 432.483 -0.728 20 30 IBEDRN C=CCNC(=O)NC(=O)COC(=O)Cn1cnc2c(c(Br)nn2C)c1=O ZINC000727221328 1073374432 /nfs/dbraw/zinc/37/44/32/1073374432.db2.gz LYGDCSGNUZIUQM-UHFFFAOYSA-N 0 0 427.215 -0.553 20 30 IBEDRN C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)Cn1cnc2c(c(Br)nn2C)c1=O ZINC000727222290 1073374407 /nfs/dbraw/zinc/37/44/07/1073374407.db2.gz GZAWEMSIAIEMBT-MRVPVSSYSA-N 0 0 441.242 -0.164 20 30 IBEDRN C=CCNC(=O)NC(=O)[C@H](C)OC(=O)Cn1cnc2c(c(Br)nn2C)c1=O ZINC000727222299 1073374537 /nfs/dbraw/zinc/37/45/37/1073374537.db2.gz GZAWEMSIAIEMBT-QMMMGPOBSA-N 0 0 441.242 -0.164 20 30 IBEDRN COCCCNC(=O)[C@H](C#N)C(=O)Cn1cnc2c(c(Br)nn2C)c1=O ZINC000727232860 1073374879 /nfs/dbraw/zinc/37/48/79/1073374879.db2.gz ABIAZCCKRZNEPO-SECBINFHSA-N 0 0 425.243 -0.246 20 30 IBEDRN COCCCNC(=O)[C@@H](C#N)C(=O)Cn1cnc2c(c(Br)nn2C)c1=O ZINC000727232863 1073374768 /nfs/dbraw/zinc/37/47/68/1073374768.db2.gz ABIAZCCKRZNEPO-VIFPVBQESA-N 0 0 425.243 -0.246 20 30 IBEDRN C=CCNS(=O)(=O)c1cc(C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)ccc1F ZINC000727392685 1073375957 /nfs/dbraw/zinc/37/59/57/1073375957.db2.gz WXEZIWXERUUPMA-UHFFFAOYSA-N 0 0 437.457 -0.739 20 30 IBEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccoc2)c(=O)n1CCN1CCOCC1 ZINC000727415216 1073375637 /nfs/dbraw/zinc/37/56/37/1073375637.db2.gz KLNLBXIZYZHAHE-UHFFFAOYSA-N 0 0 444.513 -0.803 20 30 IBEDRN COCCn1c(=O)c(=Cc2ccoc2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000727415401 1073375617 /nfs/dbraw/zinc/37/56/17/1073375617.db2.gz NTQHKVWAFUNRSC-UHFFFAOYSA-N 0 0 432.502 -0.899 20 30 IBEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1CCN1CCOCC1 ZINC000727415415 1073375855 /nfs/dbraw/zinc/37/58/55/1073375855.db2.gz OHZJFJKUXINQSZ-UHFFFAOYSA-N 0 0 446.529 -0.509 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1CCN1CCOCC1 ZINC000727415435 1073375578 /nfs/dbraw/zinc/37/55/78/1073375578.db2.gz PHLSHTJLSXXYDD-UHFFFAOYSA-N 0 0 432.502 -0.899 20 30 IBEDRN N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccoc2)c(=O)n1CCN1CCOCC1 ZINC000727415538 1073375497 /nfs/dbraw/zinc/37/54/97/1073375497.db2.gz UPOAIRISWJAVQP-UHFFFAOYSA-N 0 0 428.514 -0.040 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000727417415 1073376012 /nfs/dbraw/zinc/37/60/12/1073376012.db2.gz KNBQRYJEESPMAR-UHFFFAOYSA-N 0 0 438.465 -0.143 20 30 IBEDRN CCOCCn1c(=O)c(=Cc2ccoc2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000727418256 1073375988 /nfs/dbraw/zinc/37/59/88/1073375988.db2.gz PLQIMBWJIDTXOA-UHFFFAOYSA-N 0 0 446.529 -0.509 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1CCc1cccnc1 ZINC000727814805 1073379399 /nfs/dbraw/zinc/37/93/99/1073379399.db2.gz ZQXIMQBGDDIVKV-UHFFFAOYSA-N 0 0 438.513 -0.453 20 30 IBEDRN N#Cc1ccc(S(=O)(=O)N2CCN(CN3C(=O)NC4(CCOCC4)C3=O)CC2)cc1 ZINC000727818248 1073379321 /nfs/dbraw/zinc/37/93/21/1073379321.db2.gz YWRNBJDTUPCJPW-UHFFFAOYSA-N 0 0 433.490 -0.077 20 30 IBEDRN CN1CCN(S(=O)(=O)N2CCN(C(=O)NCc3ccc(OCC#N)cc3)CC2)CC1 ZINC000727844951 1073379771 /nfs/dbraw/zinc/37/97/71/1073379771.db2.gz WLIPGLRKXOBKSV-UHFFFAOYSA-N 0 0 436.538 -0.092 20 30 IBEDRN CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)Cn2cc(S(N)(=O)=O)cn2)c1 ZINC000727868164 1073380393 /nfs/dbraw/zinc/38/03/93/1073380393.db2.gz NPLLSLZOZIPRQD-HKWRFOASSA-N 0 0 440.507 -0.018 20 30 IBEDRN CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)Cn2cc(S(N)(=O)=O)cn2)c1 ZINC000727868165 1073380360 /nfs/dbraw/zinc/38/03/60/1073380360.db2.gz NPLLSLZOZIPRQD-HMMYKYKNSA-N 0 0 440.507 -0.018 20 30 IBEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)CCN2CCCC2=O)CC1 ZINC000727914174 1073380227 /nfs/dbraw/zinc/38/02/27/1073380227.db2.gz MQEVTJVTGUVVAH-UHFFFAOYSA-N 0 0 448.501 -0.053 20 30 IBEDRN CS(=O)(=O)NCCn1c(=O)c(=Cc2cc(F)c(F)c(F)c2)sc1=C(C#N)C#N ZINC000728039557 1073381363 /nfs/dbraw/zinc/38/13/63/1073381363.db2.gz MPSDXUHOEDYOAJ-UHFFFAOYSA-N 0 0 428.417 -0.097 20 30 IBEDRN CN(CCS(C)(=O)=O)CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000728054479 1073381684 /nfs/dbraw/zinc/38/16/84/1073381684.db2.gz MVKVOFMVLNCZJS-UHFFFAOYSA-N 0 0 428.536 -0.632 20 30 IBEDRN N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)NCCS(=O)(=O)N2CCOCC2)c1 ZINC000728141193 1073382532 /nfs/dbraw/zinc/38/25/32/1073382532.db2.gz BBNXPZFGRILOFW-UHFFFAOYSA-N 0 0 432.405 -0.124 20 30 IBEDRN CN(CCS(C)(=O)=O)C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 ZINC000728142400 1073382557 /nfs/dbraw/zinc/38/25/57/1073382557.db2.gz FLDUVLLFHLSAMR-CYVLTUHYSA-N 0 0 444.535 -0.059 20 30 IBEDRN CN(CCS(C)(=O)=O)C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 ZINC000728142408 1073382549 /nfs/dbraw/zinc/38/25/49/1073382549.db2.gz FLDUVLLFHLSAMR-XDJHFCHBSA-N 0 0 444.535 -0.059 20 30 IBEDRN CN(CCS(C)(=O)=O)C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 ZINC000728142612 1073382511 /nfs/dbraw/zinc/38/25/11/1073382511.db2.gz GKSIKYJOAANJPC-CYVLTUHYSA-N 0 0 444.535 -0.059 20 30 IBEDRN CN(CCS(C)(=O)=O)C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 ZINC000728142617 1073382576 /nfs/dbraw/zinc/38/25/76/1073382576.db2.gz GKSIKYJOAANJPC-XDJHFCHBSA-N 0 0 444.535 -0.059 20 30 IBEDRN NC(=O)CCNC(=O)c1ccccc1NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 ZINC000728150495 1073382988 /nfs/dbraw/zinc/38/29/88/1073382988.db2.gz UQLVRXYXVOSGSV-UHFFFAOYSA-N 0 0 429.458 -0.031 20 30 IBEDRN C#CCNC(=O)C1CCN(CC(=O)NN2C(=O)N[C@](C)(c3cccc(OC)c3)C2=O)CC1 ZINC000728173192 1073384191 /nfs/dbraw/zinc/38/41/91/1073384191.db2.gz QPQQJGZTLPLIRK-JOCHJYFZSA-N 0 0 441.488 -0.045 20 30 IBEDRN C#CCNC(=O)C1CCN(CC(=O)NN2C(=O)N[C@@](C)(c3cccc(OC)c3)C2=O)CC1 ZINC000728173196 1072577564 /nfs/dbraw/zinc/57/75/64/1072577564.db2.gz QPQQJGZTLPLIRK-QFIPXVFZSA-N 0 0 441.488 -0.045 20 30 IBEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)Cc3ccc(S(N)(=O)=O)cc3)CC2)o1 ZINC000728371834 1071005525 /nfs/dbraw/zinc/00/55/25/1071005525.db2.gz LYKYUMHSYGBSIR-UHFFFAOYSA-N 0 0 447.473 -0.063 20 30 IBEDRN NC(=O)CCNC(=O)c1cccc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c1 ZINC000728493290 1071093388 /nfs/dbraw/zinc/09/33/88/1071093388.db2.gz PXJIVTQBRVEDNK-UHFFFAOYSA-N 0 0 429.458 -0.031 20 30 IBEDRN C#Cc1cccc(N(CC(=O)NC)S(=O)(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)c1 ZINC000728507392 1071118229 /nfs/dbraw/zinc/11/82/29/1071118229.db2.gz UCRCEOJAIFFVAD-UHFFFAOYSA-N 0 0 427.442 -0.043 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000728530388 1071129525 /nfs/dbraw/zinc/12/95/25/1071129525.db2.gz BRNIMRFVXSYSAO-KRWDZBQOSA-N 0 0 426.473 -0.087 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000728530389 1071129780 /nfs/dbraw/zinc/12/97/80/1071129780.db2.gz BRNIMRFVXSYSAO-QGZVFWFLSA-N 0 0 426.473 -0.087 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000728530449 1071131544 /nfs/dbraw/zinc/13/15/44/1071131544.db2.gz FUETUNYTLPDIAQ-UHFFFAOYSA-N 0 0 437.478 -0.843 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)c2cccc(CN3CCS(=O)(=O)CC3)c2)CC1 ZINC000728530813 1071131298 /nfs/dbraw/zinc/13/12/98/1071131298.db2.gz UVDQQENZIOWCMV-UHFFFAOYSA-N 0 0 432.546 -0.576 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000728530894 1071131361 /nfs/dbraw/zinc/13/13/61/1071131361.db2.gz YADFPEZWJBJBCG-UHFFFAOYSA-N 0 0 437.478 -0.843 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)CC1 ZINC000728530934 1071131529 /nfs/dbraw/zinc/13/15/29/1071131529.db2.gz ZXGQDDFMHSCPQE-UHFFFAOYSA-N 0 0 439.563 -0.741 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)CCC(=O)NCC(=O)c2ccc(OC)cc2)CC1 ZINC000728531092 1071131256 /nfs/dbraw/zinc/13/12/56/1071131256.db2.gz BJAITOLTTIWHFR-UHFFFAOYSA-N 0 0 428.489 -0.332 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)CC1 ZINC000728531733 1071132481 /nfs/dbraw/zinc/13/24/81/1071132481.db2.gz ONZHCZDYSUBOHG-UHFFFAOYSA-N 0 0 433.534 -0.624 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)[C@H](Cc2cccc(OC)c2)n2nnnc2C)CC1 ZINC000728531865 1071132413 /nfs/dbraw/zinc/13/24/13/1071132413.db2.gz UJFWKFKUJSZPSR-IBGZPJMESA-N 0 0 425.493 -0.332 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)[C@@H](Cc2cccc(OC)c2)n2nnnc2C)CC1 ZINC000728531866 1071132310 /nfs/dbraw/zinc/13/23/10/1071132310.db2.gz UJFWKFKUJSZPSR-LJQANCHMSA-N 0 0 425.493 -0.332 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)CNC(=O)[C@@H]2c3ccccc3C(=O)N2C2CC2)CC1 ZINC000728531942 1071132422 /nfs/dbraw/zinc/13/24/22/1071132422.db2.gz MYAUOXAXZNJVPG-NRFANRHFSA-N 0 0 437.500 -0.644 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)CNC(=O)[C@H]2c3ccccc3C(=O)N2C2CC2)CC1 ZINC000728531943 1071132323 /nfs/dbraw/zinc/13/23/23/1071132323.db2.gz MYAUOXAXZNJVPG-OAQYLSRUSA-N 0 0 437.500 -0.644 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)c2ccccc2S(=O)(=O)N2CCOCC2)CC1 ZINC000728532577 1071135408 /nfs/dbraw/zinc/13/54/08/1071135408.db2.gz CFDPSVPODKIOQN-UHFFFAOYSA-N 0 0 434.518 -0.785 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)c2sccc2S(=O)(=O)N2CCOCC2)CC1 ZINC000728532722 1071134668 /nfs/dbraw/zinc/13/46/68/1071134668.db2.gz IIEFHHPNVLOBED-UHFFFAOYSA-N 0 0 440.547 -0.724 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)Cc2ccc(S(=O)(=O)N3CCCC3)s2)CC1 ZINC000728532842 1071134122 /nfs/dbraw/zinc/13/41/22/1071134122.db2.gz LSGOIBDZZDVSKH-UHFFFAOYSA-N 0 0 438.575 -0.031 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 ZINC000728533071 1071133225 /nfs/dbraw/zinc/13/32/25/1071133225.db2.gz UOXLVDNOBUJKHI-UHFFFAOYSA-N 0 0 432.546 -0.019 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(OC)cc3OC)C2)CC1 ZINC000728533076 1071133424 /nfs/dbraw/zinc/13/34/24/1071133424.db2.gz UWGCDHOCMJXOTJ-INIZCTEOSA-N 0 0 428.489 -0.050 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(OC)cc3OC)C2)CC1 ZINC000728533077 1071133067 /nfs/dbraw/zinc/13/30/67/1071133067.db2.gz UWGCDHOCMJXOTJ-MRXNPFEDSA-N 0 0 428.489 -0.050 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)CN2C(=O)N[C@](C)(c3ccc(C)cc3)C2=O)CC1 ZINC000728533083 1071133387 /nfs/dbraw/zinc/13/33/87/1071133387.db2.gz VAWHRSZKQXERMT-JOCHJYFZSA-N 0 0 425.489 -0.344 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)CN2C(=O)N[C@@](C)(c3ccc(C)cc3)C2=O)CC1 ZINC000728533084 1071133174 /nfs/dbraw/zinc/13/31/74/1071133174.db2.gz VAWHRSZKQXERMT-QFIPXVFZSA-N 0 0 425.489 -0.344 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)c2cc(C3CC3)nc3c2c(=O)[nH]c(=O)n3CC)CC1 ZINC000728533172 1071134185 /nfs/dbraw/zinc/13/41/85/1071134185.db2.gz BZFSLZPEOYLKQG-UHFFFAOYSA-N 0 0 438.488 -0.098 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)c2cc(S(=O)(=O)N3CCCCC3)cn2C)CC1 ZINC000728533189 1071134133 /nfs/dbraw/zinc/13/41/33/1071134133.db2.gz XKJYPROIAJQGAS-UHFFFAOYSA-N 0 0 435.550 -0.293 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)Cn2c(CS(C)(=O)=O)nc3ccccc32)CC1 ZINC000728533238 1071133240 /nfs/dbraw/zinc/13/32/40/1071133240.db2.gz YNVKRGGRIUWXEP-UHFFFAOYSA-N 0 0 431.518 -0.526 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)c2cc(-c3ccco3)nc3c(C(N)=O)ncn32)CC1 ZINC000728533371 1071133508 /nfs/dbraw/zinc/13/35/08/1071133508.db2.gz HGFNTGSKEQETMO-UHFFFAOYSA-N 0 0 435.444 -0.405 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)c2ccc3c(c2)C(=O)N(C[C@@H]2CCCO2)C3=O)CC1 ZINC000728533692 1071136260 /nfs/dbraw/zinc/13/62/60/1071136260.db2.gz PLBOYVANLGTVSU-KRWDZBQOSA-N 0 0 438.484 -0.031 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)c2ccc3c(c2)C(=O)N(C[C@H]2CCCO2)C3=O)CC1 ZINC000728533693 1071136551 /nfs/dbraw/zinc/13/65/51/1071136551.db2.gz PLBOYVANLGTVSU-QGZVFWFLSA-N 0 0 438.484 -0.031 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)c2nn(-c3ccccc3[N+](=O)[O-])c(C)cc2=O)CC1 ZINC000728533784 1071136492 /nfs/dbraw/zinc/13/64/92/1071136492.db2.gz ASWXYIUZQNFEFL-UHFFFAOYSA-N 0 0 438.444 -0.044 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)CCNS(=O)(=O)c2ccc(OCC)cc2)CC1 ZINC000728533854 1071136542 /nfs/dbraw/zinc/13/65/42/1071136542.db2.gz BIRSQCUOPOLQFJ-UHFFFAOYSA-N 0 0 436.534 -0.353 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)CN2C(=O)N[C@@](C)(c3ccc(F)cc3)C2=O)CC1 ZINC000728533881 1071136448 /nfs/dbraw/zinc/13/64/48/1071136448.db2.gz BLWRJZCYYRGDJV-NRFANRHFSA-N 0 0 429.452 -0.514 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)CN2C(=O)N[C@](C)(c3ccc(F)cc3)C2=O)CC1 ZINC000728533891 1071136601 /nfs/dbraw/zinc/13/66/01/1071136601.db2.gz BLWRJZCYYRGDJV-OAQYLSRUSA-N 0 0 429.452 -0.514 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)CC1 ZINC000728534076 1071135512 /nfs/dbraw/zinc/13/55/12/1071135512.db2.gz WRGUNYGASXQVNC-UHFFFAOYSA-N 0 0 432.546 -0.047 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)c2ccc(S(=O)(=O)N=c3cc[nH]cc3)cc2)CC1 ZINC000728534230 1071135459 /nfs/dbraw/zinc/13/54/59/1071135459.db2.gz YOKMQKVCVYOHRJ-UHFFFAOYSA-N 0 0 441.513 -0.189 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)CC1 ZINC000728534233 1071135696 /nfs/dbraw/zinc/13/56/96/1071135696.db2.gz HFSURHHWGKQTNN-UHFFFAOYSA-N 0 0 448.545 -0.477 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)[C@H]2CS[C@@H](Cc3ccccc3F)C(=O)N2)CC1 ZINC000728534250 1071135667 /nfs/dbraw/zinc/13/56/67/1071135667.db2.gz YZSIJLJUILYQGC-MSOLQXFVSA-N 0 0 432.521 -0.138 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)[C@H]2CS[C@H](Cc3ccccc3F)C(=O)N2)CC1 ZINC000728534253 1071135681 /nfs/dbraw/zinc/13/56/81/1071135681.db2.gz YZSIJLJUILYQGC-QZTJIDSGSA-N 0 0 432.521 -0.138 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CS[C@@H](Cc3ccccc3F)C(=O)N2)CC1 ZINC000728534254 1071135573 /nfs/dbraw/zinc/13/55/73/1071135573.db2.gz YZSIJLJUILYQGC-ROUUACIJSA-N 0 0 432.521 -0.138 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CS[C@H](Cc3ccccc3F)C(=O)N2)CC1 ZINC000728534256 1071135748 /nfs/dbraw/zinc/13/57/48/1071135748.db2.gz YZSIJLJUILYQGC-ZWKOTPCHSA-N 0 0 432.521 -0.138 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)CN2C(=O)c3ccc(Br)cc3C2=O)CC1 ZINC000728534274 1071135730 /nfs/dbraw/zinc/13/57/30/1071135730.db2.gz ZLLRFFSAJSWISX-UHFFFAOYSA-N 0 0 447.289 -0.061 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)CC1 ZINC000728534298 1071136436 /nfs/dbraw/zinc/13/64/36/1071136436.db2.gz IJSLIIQYNSVGRF-UHFFFAOYSA-N 0 0 448.545 -0.477 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000728534300 1071136338 /nfs/dbraw/zinc/13/63/38/1071136338.db2.gz IKQUSIQOPAJDSE-UHFFFAOYSA-N 0 0 426.926 -0.146 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 ZINC000728534472 1071136482 /nfs/dbraw/zinc/13/64/82/1071136482.db2.gz MGXSZPBIUFJSMC-UHFFFAOYSA-N 0 0 434.518 -0.785 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)CN2C(=O)N[C@](C)(c3ccc(OC)cc3)C2=O)CC1 ZINC000728534644 1071138789 /nfs/dbraw/zinc/13/87/89/1071138789.db2.gz OYXDEQKJUXOTDU-JOCHJYFZSA-N 0 0 441.488 -0.644 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000728534647 1071138804 /nfs/dbraw/zinc/13/88/04/1071138804.db2.gz RNZXZBDWGVWCGG-AWEZNQCLSA-N 0 0 426.926 -0.100 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)CN2C(=O)N[C@@](C)(c3ccc(OC)cc3)C2=O)CC1 ZINC000728534651 1071138951 /nfs/dbraw/zinc/13/89/51/1071138951.db2.gz OYXDEQKJUXOTDU-QFIPXVFZSA-N 0 0 441.488 -0.644 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CC1 ZINC000728534678 1071138709 /nfs/dbraw/zinc/13/87/09/1071138709.db2.gz SJJZVZBCSRXBQL-UHFFFAOYSA-N 0 0 434.518 -0.785 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)c2ccc(OC)c(S(=O)(=O)NC3CC3)c2)CC1 ZINC000728534967 1071138118 /nfs/dbraw/zinc/13/81/18/1071138118.db2.gz UBGJXMIHFBYPLF-UHFFFAOYSA-N 0 0 434.518 -0.357 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)[C@H](CSC)N2C(=O)[C@@H]3CCCC[C@@H]3C2=O)CC1 ZINC000728535003 1071138036 /nfs/dbraw/zinc/13/80/36/1071138036.db2.gz ZTXBMACQLATNSN-BBWFWOEESA-N 0 0 434.562 -0.213 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)[C@@H](CSC)N2C(=O)[C@@H]3CCCC[C@@H]3C2=O)CC1 ZINC000728535006 1071138143 /nfs/dbraw/zinc/13/81/43/1071138143.db2.gz ZTXBMACQLATNSN-IXDOHACOSA-N 0 0 434.562 -0.213 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)[C@H](CSC)N2C(=O)[C@H]3CCCC[C@@H]3C2=O)CC1 ZINC000728535008 1071138232 /nfs/dbraw/zinc/13/82/32/1071138232.db2.gz ZTXBMACQLATNSN-ULQDDVLXSA-N 0 0 434.562 -0.213 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)[C@H](CSC)N2C(=O)[C@@H]3CCCC[C@H]3C2=O)CC1 ZINC000728535010 1071138107 /nfs/dbraw/zinc/13/81/07/1071138107.db2.gz ZTXBMACQLATNSN-ZACQAIPSSA-N 0 0 434.562 -0.213 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)c2ccc(OC)c(S(=O)(=O)N3CCCC3)c2)CC1 ZINC000728535014 1071138244 /nfs/dbraw/zinc/13/82/44/1071138244.db2.gz ZVMFLYOAPLXHBL-UHFFFAOYSA-N 0 0 448.545 -0.013 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(NC(C)=O)cc2)CC1 ZINC000728535637 1071139904 /nfs/dbraw/zinc/13/99/04/1071139904.db2.gz BVDALYFMVWOYTP-UHFFFAOYSA-N 0 0 449.533 -0.841 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)CC1 ZINC000728536027 1071138751 /nfs/dbraw/zinc/13/87/51/1071138751.db2.gz FKXCMUYLGAPPCB-GOSISDBHSA-N 0 0 432.546 -0.019 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)CC1 ZINC000728536028 1071138724 /nfs/dbraw/zinc/13/87/24/1071138724.db2.gz FKXCMUYLGAPPCB-SFHVURJKSA-N 0 0 432.546 -0.019 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)c2cc(S(=O)(=O)NCCOC)ccc2C)CC1 ZINC000728536031 1071139763 /nfs/dbraw/zinc/13/97/63/1071139763.db2.gz FTEZGPOLRSEHRP-UHFFFAOYSA-N 0 0 436.534 -0.573 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)c2ccc3c(c2)S(=O)(=O)N(C(C)C)C3=O)CC1 ZINC000728536054 1071139748 /nfs/dbraw/zinc/13/97/48/1071139748.db2.gz GNZIKLBTKHKMBX-UHFFFAOYSA-N 0 0 432.502 -0.253 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)c2ccc(OC)c(S(=O)(=O)NC(C)C)c2)CC1 ZINC000728536063 1071139639 /nfs/dbraw/zinc/13/96/39/1071139639.db2.gz HCRBDDOCEXOZNZ-UHFFFAOYSA-N 0 0 436.534 -0.111 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)CCS(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000728536073 1071139803 /nfs/dbraw/zinc/13/98/03/1071139803.db2.gz IDFPPJDVIQRUNJ-UHFFFAOYSA-N 0 0 435.502 -0.485 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)c2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)CC1 ZINC000728536103 1071139719 /nfs/dbraw/zinc/13/97/19/1071139719.db2.gz JMTXUSXRAIMJTR-GOSISDBHSA-N 0 0 448.545 -0.349 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)c2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)CC1 ZINC000728536104 1071139891 /nfs/dbraw/zinc/13/98/91/1071139891.db2.gz JMTXUSXRAIMJTR-SFHVURJKSA-N 0 0 448.545 -0.349 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC000728536143 1071138969 /nfs/dbraw/zinc/13/89/69/1071138969.db2.gz LQALYFQRPREZDN-UHFFFAOYSA-N 0 0 431.518 -0.601 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)CC1 ZINC000728536188 1071139656 /nfs/dbraw/zinc/13/96/56/1071139656.db2.gz NVDIQHPWQONCCE-UHFFFAOYSA-N 0 0 428.461 -0.473 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)CCNS(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000728536246 1071139849 /nfs/dbraw/zinc/13/98/49/1071139849.db2.gz PVFSNRXINOEEQO-UHFFFAOYSA-N 0 0 426.926 -0.098 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)c2cc(S(N)(=O)=O)ccc2Br)CC1 ZINC000728536253 1071139737 /nfs/dbraw/zinc/13/97/37/1071139737.db2.gz QBXCKXCWGSZMSN-UHFFFAOYSA-N 0 0 443.323 -0.396 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)c2ccc3c(c2)S(=O)(=O)N(C2CC2)C3=O)CC1 ZINC000728536337 1071139033 /nfs/dbraw/zinc/13/90/33/1071139033.db2.gz WLBVGBHMUZBANM-UHFFFAOYSA-N 0 0 430.486 -0.499 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)CC1 ZINC000728536412 1071141616 /nfs/dbraw/zinc/14/16/16/1071141616.db2.gz ZPPKSHFCTRTSTH-INIZCTEOSA-N 0 0 426.473 -0.296 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)CC1 ZINC000728536413 1071143168 /nfs/dbraw/zinc/14/31/68/1071143168.db2.gz ZPPKSHFCTRTSTH-MRXNPFEDSA-N 0 0 426.473 -0.296 20 30 IBEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(CC(=O)NC3CCCCC3)CC2)c1=O ZINC000728562940 1071161426 /nfs/dbraw/zinc/16/14/26/1071161426.db2.gz GJRWLPSZJIRPEL-UHFFFAOYSA-N 0 0 446.552 -0.432 20 30 IBEDRN C#CCNC(=O)CN1CCN([C@@H](C)C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000728570386 1071171284 /nfs/dbraw/zinc/17/12/84/1071171284.db2.gz BQHAJILFFNMPIX-CVEARBPZSA-N 0 0 435.550 -0.733 20 30 IBEDRN C#CCNC(=O)CN1CCN([C@@H](C)C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000728570387 1071171314 /nfs/dbraw/zinc/17/13/14/1071171314.db2.gz BQHAJILFFNMPIX-HOTGVXAUSA-N 0 0 435.550 -0.733 20 30 IBEDRN C#CCNC(=O)CN1CCN([C@H](C)C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000728570388 1071171293 /nfs/dbraw/zinc/17/12/93/1071171293.db2.gz BQHAJILFFNMPIX-HZPDHXFCSA-N 0 0 435.550 -0.733 20 30 IBEDRN C#CCNC(=O)CN1CCN([C@H](C)C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000728570389 1071171150 /nfs/dbraw/zinc/17/11/50/1071171150.db2.gz BQHAJILFFNMPIX-JKSUJKDBSA-N 0 0 435.550 -0.733 20 30 IBEDRN C#CCNC(=O)CN1CCN(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000728570512 1071179686 /nfs/dbraw/zinc/17/96/86/1071179686.db2.gz DFQYAFNBKRNJNJ-UHFFFAOYSA-N 0 0 431.512 -0.355 20 30 IBEDRN C#CCNC(=O)CN1CCN([C@@H](C)C(=O)Nc2cc(C(=O)OC)ccc2C(=O)OC)CC1 ZINC000728570697 1071177856 /nfs/dbraw/zinc/17/78/56/1071177856.db2.gz KVVMWNKTLGLZFU-HNNXBMFYSA-N 0 0 444.488 -0.046 20 30 IBEDRN C#CCNC(=O)CN1CCN([C@H](C)C(=O)Nc2cc(C(=O)OC)ccc2C(=O)OC)CC1 ZINC000728570698 1071177919 /nfs/dbraw/zinc/17/79/19/1071177919.db2.gz KVVMWNKTLGLZFU-OAHLLOKOSA-N 0 0 444.488 -0.046 20 30 IBEDRN C#CCNC(=O)CN1CCN(CC(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)CC1 ZINC000728570789 1071176337 /nfs/dbraw/zinc/17/63/37/1071176337.db2.gz MYFDASZMMRGXDL-UHFFFAOYSA-N 0 0 439.560 -0.367 20 30 IBEDRN C#CCNC(=O)CN1CCN(CC(=O)NCc2ccccc2CN2CCCC2=O)CC1 ZINC000728570985 1071174332 /nfs/dbraw/zinc/17/43/32/1071174332.db2.gz RJJKEYFKOGRWDG-UHFFFAOYSA-N 0 0 425.533 -0.208 20 30 IBEDRN C#CCNC(=O)CN1CCN(CC(=O)N2CCC(NC(=O)c3ccccc3)CC2)CC1 ZINC000728571045 1071173545 /nfs/dbraw/zinc/17/35/45/1071173545.db2.gz UTHLZTHUVQRXEZ-UHFFFAOYSA-N 0 0 425.533 -0.226 20 30 IBEDRN C#CCNC(=O)CN1CCN(CC(=O)N2CCN(c3cc(C)nc(C(C)C)n3)CC2)CC1 ZINC000728571127 1071174486 /nfs/dbraw/zinc/17/44/86/1071174486.db2.gz WBBCOOFGLQTBBH-UHFFFAOYSA-N 0 0 441.580 -0.076 20 30 IBEDRN C#CCNC(=O)CN1CCN([C@@H](C)C(=O)NCc2ccc(CN3CCOCC3)cc2)CC1 ZINC000728571222 1071173490 /nfs/dbraw/zinc/17/34/90/1071173490.db2.gz ZCVLBSFEKYVNGW-FQEVSTJZSA-N 0 0 441.576 -0.110 20 30 IBEDRN C#CCNC(=O)CN1CCN([C@H](C)C(=O)NCc2ccc(CN3CCOCC3)cc2)CC1 ZINC000728571223 1071173629 /nfs/dbraw/zinc/17/36/29/1071173629.db2.gz ZCVLBSFEKYVNGW-HXUWFJFHSA-N 0 0 441.576 -0.110 20 30 IBEDRN C#CCNC(=O)CN1CCN(CC(=O)NCc2ccc(C(=O)N3CCCC3)cc2)CC1 ZINC000728571236 1071173670 /nfs/dbraw/zinc/17/36/70/1071173670.db2.gz ZILZKODZVCHROJ-UHFFFAOYSA-N 0 0 425.533 -0.094 20 30 IBEDRN C#CCNC(=O)CN1CCN(CC(=O)N2CCN(Cc3ccc(OC)cc3)CC2)CC1 ZINC000728571569 1071188880 /nfs/dbraw/zinc/18/88/80/1071188880.db2.gz IZQARCIVQVJBJU-UHFFFAOYSA-N 0 0 427.549 -0.294 20 30 IBEDRN C#CCNC(=O)CN1CCN([C@@H](C)C(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)CC1 ZINC000728572301 1071183769 /nfs/dbraw/zinc/18/37/69/1071183769.db2.gz AGLGGDCJVVIJIB-HNNXBMFYSA-N 0 0 444.488 -0.046 20 30 IBEDRN C#CCNC(=O)CN1CCN([C@H](C)C(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)CC1 ZINC000728572303 1071183845 /nfs/dbraw/zinc/18/38/45/1071183845.db2.gz AGLGGDCJVVIJIB-OAHLLOKOSA-N 0 0 444.488 -0.046 20 30 IBEDRN C#CCNC(=O)CN1CCN(CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)OC)CC1 ZINC000728572365 1071183804 /nfs/dbraw/zinc/18/38/04/1071183804.db2.gz BAHDORHBRGHUCW-FQEVSTJZSA-N 0 0 439.516 -0.265 20 30 IBEDRN C#CCNC(=O)CN1CCN(CC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)OC)CC1 ZINC000728572366 1071183904 /nfs/dbraw/zinc/18/39/04/1071183904.db2.gz BAHDORHBRGHUCW-HXUWFJFHSA-N 0 0 439.516 -0.265 20 30 IBEDRN C#CCNC(=O)CN1CCN([C@@H](C)C(=O)NC(=O)Nc2ccc3c(c2)OCCO3)CC1 ZINC000728572472 1071189840 /nfs/dbraw/zinc/18/98/40/1071189840.db2.gz GAPQBVMYUXANPJ-HNNXBMFYSA-N 0 0 429.477 -0.139 20 30 IBEDRN C#CCNC(=O)CN1CCN([C@H](C)C(=O)NC(=O)Nc2ccc3c(c2)OCCO3)CC1 ZINC000728572473 1071189858 /nfs/dbraw/zinc/18/98/58/1071189858.db2.gz GAPQBVMYUXANPJ-OAHLLOKOSA-N 0 0 429.477 -0.139 20 30 IBEDRN C#CCNC(=O)CN1CCN(CC(=O)NC(=O)Nc2ccc3c(c2)OCCCO3)CC1 ZINC000728572480 1071195901 /nfs/dbraw/zinc/19/59/01/1071195901.db2.gz GTAFJGNYPMTWJU-UHFFFAOYSA-N 0 0 429.477 -0.137 20 30 IBEDRN C#CCNC(=O)CN1CCN(CC(=O)N(CC)c2c(N)n(CCCC)c(=O)[nH]c2=O)CC1 ZINC000728572518 1071195891 /nfs/dbraw/zinc/19/58/91/1071195891.db2.gz IFINNZYNQMCOFY-UHFFFAOYSA-N 0 0 447.540 -0.949 20 30 IBEDRN C#CCNC(=O)CN1CCN(Cc2nc3c(c(=O)[nH]c(=O)n3CCCC)n2CC)CC1 ZINC000728572520 1071195965 /nfs/dbraw/zinc/19/59/65/1071195965.db2.gz IFMUWEMGQWTGQV-UHFFFAOYSA-N 0 0 429.525 -0.014 20 30 IBEDRN C#CCNC(=O)CN1CCN(CC2=C(C(=O)OCC)[C@H](c3ccco3)NC(=O)N2)CC1 ZINC000728572523 1071196068 /nfs/dbraw/zinc/19/60/68/1071196068.db2.gz ILIOMLHGOLOEEZ-IBGZPJMESA-N 0 0 429.477 -0.182 20 30 IBEDRN C#CCNC(=O)CN1CCN(CC2=C(C(=O)OCC)[C@@H](c3ccco3)NC(=O)N2)CC1 ZINC000728572524 1071196046 /nfs/dbraw/zinc/19/60/46/1071196046.db2.gz ILIOMLHGOLOEEZ-LJQANCHMSA-N 0 0 429.477 -0.182 20 30 IBEDRN C#CCNC(=O)CN1CCN(CC(=O)NCc2ccccc2CN2CCOCC2)CC1 ZINC000728572608 1071196035 /nfs/dbraw/zinc/19/60/35/1071196035.db2.gz LKJGRYQVZDWNIB-UHFFFAOYSA-N 0 0 427.549 -0.498 20 30 IBEDRN C#CCNC(=O)CN1CCN(CC(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)CC1 ZINC000728572630 1071196051 /nfs/dbraw/zinc/19/60/51/1071196051.db2.gz MHHDFBFGLALZLX-UHFFFAOYSA-N 0 0 428.461 -0.012 20 30 IBEDRN C#CCNC(=O)CN1CCN(CC(=O)N2CCN(C(=O)Nc3ccccc3)CC2)CC1 ZINC000728572930 1071193673 /nfs/dbraw/zinc/19/36/73/1071193673.db2.gz QSAZIFVQCVOEAM-UHFFFAOYSA-N 0 0 426.521 -0.270 20 30 IBEDRN C#CCNC(=O)CN1CCN(CC(=O)Nc2ccccc2S(=O)(=O)C(F)F)CC1 ZINC000728572986 1071195258 /nfs/dbraw/zinc/19/52/58/1071195258.db2.gz RKZWLUSCFNIZGV-UHFFFAOYSA-N 0 0 428.461 -0.012 20 30 IBEDRN C#CCNC(=O)CN1CCN(CC(=O)N([C@H]2CCS(=O)(=O)C2)C2CCCCC2)CC1 ZINC000728573159 1071193785 /nfs/dbraw/zinc/19/37/85/1071193785.db2.gz SNEWAHLANJHUMZ-IBGZPJMESA-N 0 0 438.594 -0.298 20 30 IBEDRN C#CCNC(=O)CN1CCN(CC(=O)N([C@@H]2CCS(=O)(=O)C2)C2CCCCC2)CC1 ZINC000728573160 1071193854 /nfs/dbraw/zinc/19/38/54/1071193854.db2.gz SNEWAHLANJHUMZ-LJQANCHMSA-N 0 0 438.594 -0.298 20 30 IBEDRN C#CCNC(=O)CN1CCN(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000728573372 1071190405 /nfs/dbraw/zinc/19/04/05/1071190405.db2.gz OYSWFDFKJAJXPW-UHFFFAOYSA-N 0 0 428.493 -0.390 20 30 IBEDRN C#CCNC(=O)CN1CCN(CC(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)CC1 ZINC000728573381 1071190474 /nfs/dbraw/zinc/19/04/74/1071190474.db2.gz OPGUTQPIMBFPQQ-UHFFFAOYSA-N 0 0 430.461 -0.435 20 30 IBEDRN C#CCNC(=O)CN1CCN(CC(=O)NN2C(=O)N[C@](CC)(c3ccccc3)C2=O)CC1 ZINC000728573459 1071196873 /nfs/dbraw/zinc/19/68/73/1071196873.db2.gz WULGVBPIDGLKGO-JOCHJYFZSA-N 0 0 440.504 -0.758 20 30 IBEDRN C#CCNC(=O)CN1CCN(CC(=O)NN2C(=O)N[C@@](CC)(c3ccccc3)C2=O)CC1 ZINC000728573460 1071196897 /nfs/dbraw/zinc/19/68/97/1071196897.db2.gz WULGVBPIDGLKGO-QFIPXVFZSA-N 0 0 440.504 -0.758 20 30 IBEDRN C#CCNC(=O)CN1CCN([C@H](C)C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)CC1 ZINC000728573635 1071199152 /nfs/dbraw/zinc/19/91/52/1071199152.db2.gz SYKAJOHBNUOYKK-CYBMUJFWSA-N 0 0 439.438 -0.086 20 30 IBEDRN C#CCNC(=O)CN1CCN([C@@H](C)C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)CC1 ZINC000728573637 1071199100 /nfs/dbraw/zinc/19/91/00/1071199100.db2.gz SYKAJOHBNUOYKK-ZDUSSCGKSA-N 0 0 439.438 -0.086 20 30 IBEDRN C#CCNC(=O)CN1CCN(CC(=O)Nc2sc(C(N)=O)c(C)c2C(=O)OCC)CC1 ZINC000728573747 1071198439 /nfs/dbraw/zinc/19/84/39/1071198439.db2.gz UGSRLCFJAWWUKS-UHFFFAOYSA-N 0 0 449.533 -0.362 20 30 IBEDRN C#CCNC(=O)CN1CCN(CC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)CC1 ZINC000728573799 1071197479 /nfs/dbraw/zinc/19/74/79/1071197479.db2.gz VLVCFRZVFZHJAQ-UHFFFAOYSA-N 0 0 447.561 -0.223 20 30 IBEDRN C#CCNC(=O)CN1CCN([C@@H](C)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)CC1 ZINC000728573842 1071197464 /nfs/dbraw/zinc/19/74/64/1071197464.db2.gz XLYDXYKCYUFIBW-INIZCTEOSA-N 0 0 435.550 -0.369 20 30 IBEDRN C#CCNC(=O)CN1CCN([C@H](C)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)CC1 ZINC000728573843 1071197430 /nfs/dbraw/zinc/19/74/30/1071197430.db2.gz XLYDXYKCYUFIBW-MRXNPFEDSA-N 0 0 435.550 -0.369 20 30 IBEDRN C#CCNC(=O)CN1CCN(CC(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)CC1 ZINC000728573853 1071197440 /nfs/dbraw/zinc/19/74/40/1071197440.db2.gz XYZKVUDIPPTCHT-UHFFFAOYSA-N 0 0 435.550 -0.449 20 30 IBEDRN C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2Cl)CC1 ZINC000728589378 1071223601 /nfs/dbraw/zinc/22/36/01/1071223601.db2.gz CKSBGQKPKWTTIN-UHFFFAOYSA-N 0 0 433.939 -0.201 20 30 IBEDRN C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc(C(=O)OC)ccc2C(=O)OC)CC1 ZINC000728589539 1071225245 /nfs/dbraw/zinc/22/52/45/1071225245.db2.gz GVMQIBHZVVKRCB-UHFFFAOYSA-N 0 0 437.474 -0.685 20 30 IBEDRN C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc(C(=O)OC)cc(C(=O)OC)c2)CC1 ZINC000728589662 1071226739 /nfs/dbraw/zinc/22/67/39/1071226739.db2.gz KBRCNDWZJMPBEZ-UHFFFAOYSA-N 0 0 437.474 -0.685 20 30 IBEDRN C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(NS(C)(=O)=O)cc2F)CC1 ZINC000728589970 1071225993 /nfs/dbraw/zinc/22/59/93/1071225993.db2.gz OVSMFTLKXNMYAO-UHFFFAOYSA-N 0 0 432.499 -0.747 20 30 IBEDRN C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(N3CCCS3(=O)=O)cc2)CC1 ZINC000728590013 1071226236 /nfs/dbraw/zinc/22/62/36/1071226236.db2.gz RMHYTBKVEDWHND-UHFFFAOYSA-N 0 0 440.547 -0.718 20 30 IBEDRN C#CCNC(=O)CN1CCN(S(=O)(=O)c2cccc(S(=O)(=O)NC3CC3)c2)CC1 ZINC000728590164 1071226056 /nfs/dbraw/zinc/22/60/56/1071226056.db2.gz UPCOHRMJVYOEFK-UHFFFAOYSA-N 0 0 440.547 -0.817 20 30 IBEDRN C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)CC1 ZINC000728590188 1071226127 /nfs/dbraw/zinc/22/61/27/1071226127.db2.gz VVJCXVYHSZYZGS-UHFFFAOYSA-N 0 0 440.547 -0.817 20 30 IBEDRN C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc(C(=O)OC)sc2C(=O)OC)CC1 ZINC000728590238 1071226013 /nfs/dbraw/zinc/22/60/13/1071226013.db2.gz XZEHDVILCVFFJO-UHFFFAOYSA-N 0 0 443.503 -0.623 20 30 IBEDRN C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(C(=O)N3CCOCC3)cc2)CC1 ZINC000728590244 1071226154 /nfs/dbraw/zinc/22/61/54/1071226154.db2.gz YCFKWLKHBMTUOO-UHFFFAOYSA-N 0 0 434.518 -0.785 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)CCNS(=O)(=O)c2ccc(C(C)=O)cc2)CC1 ZINC000728608465 1071267639 /nfs/dbraw/zinc/26/76/39/1071267639.db2.gz BBCSBZKHCHCQCD-UHFFFAOYSA-N 0 0 434.518 -0.549 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)CN2C(=O)c3ccccc3N3C(=O)CC[C@@]32C)CC1 ZINC000728608479 1071267575 /nfs/dbraw/zinc/26/75/75/1071267575.db2.gz BRLKGBQQWSOYHQ-HSZRJFAPSA-N 0 0 437.500 -0.121 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)CN2C(=O)c3ccccc3N3C(=O)CC[C@]32C)CC1 ZINC000728608480 1071267680 /nfs/dbraw/zinc/26/76/80/1071267680.db2.gz BRLKGBQQWSOYHQ-QHCPKHFHSA-N 0 0 437.500 -0.121 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)CCc2c(C)nc3c(C(N)=O)cnn3c2C)CC1 ZINC000728608519 1071267410 /nfs/dbraw/zinc/26/74/10/1071267410.db2.gz FGSVYMUHHJQMRN-UHFFFAOYSA-N 0 0 425.493 -0.729 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)CCNS(=O)(=O)c2cccc(C(C)=O)c2)CC1 ZINC000728608531 1071267663 /nfs/dbraw/zinc/26/76/63/1071267663.db2.gz FYWKWGGOMJXJGE-UHFFFAOYSA-N 0 0 434.518 -0.549 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)CNC(=O)c2ccc(OC(F)F)c(OC)c2)CC1 ZINC000728608539 1071268109 /nfs/dbraw/zinc/26/81/09/1071268109.db2.gz GLZDUMAUMHOKOQ-UHFFFAOYSA-N 0 0 438.431 -0.080 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)c2cccc(S(=O)(=O)NC[C@H]3CCCO3)c2)CC1 ZINC000728608619 1072606946 /nfs/dbraw/zinc/60/69/46/1072606946.db2.gz KVHTZMPIDUAUHZ-GOSISDBHSA-N 0 0 448.545 -0.349 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)c2cccc(S(=O)(=O)NC[C@@H]3CCCO3)c2)CC1 ZINC000728608620 1071268139 /nfs/dbraw/zinc/26/81/39/1071268139.db2.gz KVHTZMPIDUAUHZ-SFHVURJKSA-N 0 0 448.545 -0.349 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)c2ccc3c(c2)SC2=NS(=O)(=O)CCN32)CC1 ZINC000728608634 1071268068 /nfs/dbraw/zinc/26/80/68/1071268068.db2.gz LOPCSFIKJUQXGA-UHFFFAOYSA-N 0 0 447.542 -0.195 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)CNC(=O)c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000728608673 1071268081 /nfs/dbraw/zinc/26/80/81/1071268081.db2.gz OGKBOBWLDLVWRC-UHFFFAOYSA-N 0 0 432.477 -0.664 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)CCNS(=O)(=O)c2ccccc2Cl)CC1 ZINC000728608716 1071268282 /nfs/dbraw/zinc/26/82/82/1071268282.db2.gz QZLVSCNBYGAHGM-UHFFFAOYSA-N 0 0 426.926 -0.098 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(N3CCN(CC(=O)OC)CC3)cc2)C1=O ZINC000728829880 1071429365 /nfs/dbraw/zinc/42/93/65/1071429365.db2.gz BNSJNAXCWVJZTB-UHFFFAOYSA-N 0 0 443.460 -0.103 20 30 IBEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)c1=O ZINC000728905569 1071474806 /nfs/dbraw/zinc/47/48/06/1071474806.db2.gz GKEAAOZLUNAGJH-KRWDZBQOSA-N 0 0 446.552 -0.434 20 30 IBEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN([C@H](C)C(=O)NC3CCCC3)CC2)c1=O ZINC000728905570 1071475681 /nfs/dbraw/zinc/47/56/81/1071475681.db2.gz GKEAAOZLUNAGJH-QGZVFWFLSA-N 0 0 446.552 -0.434 20 30 IBEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)C2(O)CCOCC2)CC1 ZINC000729025062 1071601106 /nfs/dbraw/zinc/60/11/06/1071601106.db2.gz ZORQUUHHYNYAFB-UHFFFAOYSA-N 0 0 437.474 -0.524 20 30 IBEDRN C#CCNC(=O)CN1CCCN(C(=O)CN(C)C2=NS(=O)(=O)c3ccccc32)CC1 ZINC000729256731 1071608178 /nfs/dbraw/zinc/60/81/78/1071608178.db2.gz FPFPVJMLRRVCEQ-UHFFFAOYSA-N 0 0 431.518 -0.649 20 30 IBEDRN C#CCNC(=O)CN1CCCN(C(=O)Cn2c(CS(C)(=O)=O)nc3ccccc32)CC1 ZINC000729256793 1071607625 /nfs/dbraw/zinc/60/76/25/1071607625.db2.gz ILZQKQNRWSOOHY-UHFFFAOYSA-N 0 0 445.545 -0.135 20 30 IBEDRN C#CCNC(=O)CN1CCCN(C(=O)c2ccc(S(=O)(=O)NCCOC)cc2)CC1 ZINC000729256948 1071607606 /nfs/dbraw/zinc/60/76/06/1071607606.db2.gz NXTGNWMXAJYQDX-UHFFFAOYSA-N 0 0 436.534 -0.491 20 30 IBEDRN C#CCNC(=O)CN1CCCN(C(=O)c2ccccc2S(=O)(=O)N2CCOCC2)CC1 ZINC000729256955 1071607563 /nfs/dbraw/zinc/60/75/63/1071607563.db2.gz OMDAOJLQAPBJPZ-UHFFFAOYSA-N 0 0 448.545 -0.395 20 30 IBEDRN C#CCNC(=O)CN1CCCN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CC1 ZINC000729257188 1071608162 /nfs/dbraw/zinc/60/81/62/1071608162.db2.gz WMVHYRWOASJJTE-UHFFFAOYSA-N 0 0 429.433 -0.396 20 30 IBEDRN C#CCNC(=O)CN1CCCN(C(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)CC1 ZINC000729257403 1071608281 /nfs/dbraw/zinc/60/82/81/1071608281.db2.gz BJCKYOJEBIDHHH-HSZRJFAPSA-N 0 0 437.500 -0.336 20 30 IBEDRN C#CCNC(=O)CN1CCCN(C(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)CC1 ZINC000729257404 1071608219 /nfs/dbraw/zinc/60/82/19/1071608219.db2.gz BJCKYOJEBIDHHH-QHCPKHFHSA-N 0 0 437.500 -0.336 20 30 IBEDRN C#CCNC(=O)CN1CCCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 ZINC000729257615 1071608253 /nfs/dbraw/zinc/60/82/53/1071608253.db2.gz JQAXCYWCQHOUAI-UHFFFAOYSA-N 0 0 431.518 -0.224 20 30 IBEDRN C#CCNC(=O)CN1CCCN(C(=O)c2ccc3c(c2)S(=O)(=O)N(C2CC2)C3=O)CC1 ZINC000729257675 1071608175 /nfs/dbraw/zinc/60/81/75/1071608175.db2.gz NILUJHBBMDQKRA-UHFFFAOYSA-N 0 0 444.513 -0.109 20 30 IBEDRN C#CCNC(=O)CN1CCCN(C(=O)CN2C(=O)N[C@](C)(c3ccc(F)cc3)C2=O)CC1 ZINC000729257992 1071608136 /nfs/dbraw/zinc/60/81/36/1071608136.db2.gz ZMCHFHFAXIZSKM-JOCHJYFZSA-N 0 0 443.479 -0.124 20 30 IBEDRN C#CCNC(=O)CN1CCCN(C(=O)CN2C(=O)N[C@@](C)(c3ccc(F)cc3)C2=O)CC1 ZINC000729257993 1071608150 /nfs/dbraw/zinc/60/81/50/1071608150.db2.gz ZMCHFHFAXIZSKM-QFIPXVFZSA-N 0 0 443.479 -0.124 20 30 IBEDRN C#CCNC(=O)CN1CCCN(C(=O)c2cccc(S(=O)(=O)NCCOC)c2)CC1 ZINC000729281510 1071608689 /nfs/dbraw/zinc/60/86/89/1071608689.db2.gz FCPZRCIWDCPZGT-UHFFFAOYSA-N 0 0 436.534 -0.491 20 30 IBEDRN C#CCNC(=O)CN1CCCN(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 ZINC000729281513 1071608824 /nfs/dbraw/zinc/60/88/24/1071608824.db2.gz FJHJOOBLZSWOBC-UHFFFAOYSA-N 0 0 448.545 -0.395 20 30 IBEDRN C#CCNC(=O)CN1CCCN(C(=O)CNC(=O)c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000729281580 1071608697 /nfs/dbraw/zinc/60/86/97/1071608697.db2.gz IDCGSMMKPQFZIK-UHFFFAOYSA-N 0 0 446.504 -0.274 20 30 IBEDRN C#CCNC(=O)CN1CCCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000729281592 1071608649 /nfs/dbraw/zinc/60/86/49/1071608649.db2.gz JAEIYEUATPEKKM-INIZCTEOSA-N 0 0 436.534 -0.354 20 30 IBEDRN C#CCNC(=O)CN1CCCN(C(=O)c2ccc(OC)c(S(=O)(=O)N(C)C)c2)CC1 ZINC000729281744 1071608753 /nfs/dbraw/zinc/60/87/53/1071608753.db2.gz NZGXUOWSJNSUOI-UHFFFAOYSA-N 0 0 436.534 -0.157 20 30 IBEDRN C#CCNC(=O)CN1CCCN(C(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CC1 ZINC000729282079 1071608660 /nfs/dbraw/zinc/60/86/60/1071608660.db2.gz XLPHGVCXWDSZHM-UHFFFAOYSA-N 0 0 448.545 -0.395 20 30 IBEDRN C#CCNC(=O)CN1CCCN(C(=O)CCNS(=O)(=O)c2ccc(C(C)=O)cc2)CC1 ZINC000729282112 1071608733 /nfs/dbraw/zinc/60/87/33/1071608733.db2.gz YJBVAFONNFWVOI-UHFFFAOYSA-N 0 0 448.545 -0.159 20 30 IBEDRN C#CCNC(=O)CN1CCCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC000729282116 1071608802 /nfs/dbraw/zinc/60/88/02/1071608802.db2.gz YMUWJOCFLJRVGF-UHFFFAOYSA-N 0 0 431.518 -0.601 20 30 IBEDRN C#CCN(C(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000729330483 1071610458 /nfs/dbraw/zinc/61/04/58/1071610458.db2.gz AABKCGZUKRQJRV-GFCCVEGCSA-N 0 0 444.491 -0.307 20 30 IBEDRN C#CCN(C(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000729330486 1071609912 /nfs/dbraw/zinc/60/99/12/1071609912.db2.gz AABKCGZUKRQJRV-LBPRGKRZSA-N 0 0 444.491 -0.307 20 30 IBEDRN C#CCN(C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000729330952 1071610389 /nfs/dbraw/zinc/61/03/89/1071610389.db2.gz JEPSJAGNOIELIP-INIZCTEOSA-N 0 0 426.516 -0.030 20 30 IBEDRN C#CCN(C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000729330953 1071610393 /nfs/dbraw/zinc/61/03/93/1071610393.db2.gz JEPSJAGNOIELIP-MRXNPFEDSA-N 0 0 426.516 -0.030 20 30 IBEDRN C#CCN(C(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1)[C@H]1CCS(=O)(=O)C1 ZINC000729330995 1071610363 /nfs/dbraw/zinc/61/03/63/1071610363.db2.gz LDQAZEFSDVIISZ-AWEZNQCLSA-N 0 0 446.572 -0.040 20 30 IBEDRN C#CCN(C(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000729330996 1071610410 /nfs/dbraw/zinc/61/04/10/1071610410.db2.gz LDQAZEFSDVIISZ-CQSZACIVSA-N 0 0 446.572 -0.040 20 30 IBEDRN C#CCN(C(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000729331000 1071610355 /nfs/dbraw/zinc/61/03/55/1071610355.db2.gz LQTZGICMNAFRRS-INIZCTEOSA-N 0 0 426.516 -0.030 20 30 IBEDRN C#CCN(C(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000729331001 1071610376 /nfs/dbraw/zinc/61/03/76/1071610376.db2.gz LQTZGICMNAFRRS-MRXNPFEDSA-N 0 0 426.516 -0.030 20 30 IBEDRN C#CCN(C(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000729331337 1071609957 /nfs/dbraw/zinc/60/99/57/1071609957.db2.gz BPSDJTAHKHARIV-HNNXBMFYSA-N 0 0 439.515 -0.930 20 30 IBEDRN C#CCN(C(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000729331339 1071609896 /nfs/dbraw/zinc/60/98/96/1071609896.db2.gz BPSDJTAHKHARIV-OAHLLOKOSA-N 0 0 439.515 -0.930 20 30 IBEDRN C#CCN(C(=O)Cn1cc(S(=O)(=O)N(CC)CC)ccc1=O)[C@H]1CCS(=O)(=O)C1 ZINC000729331766 1071609971 /nfs/dbraw/zinc/60/99/71/1071609971.db2.gz HCMYVCAXCWDJIC-HNNXBMFYSA-N 0 0 443.547 -0.472 20 30 IBEDRN C#CCN(C(=O)Cn1cc(S(=O)(=O)N(CC)CC)ccc1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000729331771 1071609931 /nfs/dbraw/zinc/60/99/31/1071609931.db2.gz HCMYVCAXCWDJIC-OAHLLOKOSA-N 0 0 443.547 -0.472 20 30 IBEDRN C#CCN(C(=O)CN(C)S(=O)(=O)c1ccc(NC(C)=O)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000729332235 1071609954 /nfs/dbraw/zinc/60/99/54/1071609954.db2.gz WVVPVRXPKUTNHF-INIZCTEOSA-N 0 0 441.531 -0.086 20 30 IBEDRN C#CCN(C(=O)CN(C)S(=O)(=O)c1ccc(NC(C)=O)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000729332237 1071609938 /nfs/dbraw/zinc/60/99/38/1071609938.db2.gz WVVPVRXPKUTNHF-MRXNPFEDSA-N 0 0 441.531 -0.086 20 30 IBEDRN C#CCN(C(=O)Cn1cnc2c(c(Br)nn2C)c1=O)[C@H]1CCS(=O)(=O)C1 ZINC000729333112 1071609990 /nfs/dbraw/zinc/60/99/90/1071609990.db2.gz MRDMZCFNVCYFGQ-JTQLQIEISA-N 0 0 442.295 -0.459 20 30 IBEDRN C#CCN(C(=O)Cn1cnc2c(c(Br)nn2C)c1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000729333113 1071609976 /nfs/dbraw/zinc/60/99/76/1071609976.db2.gz MRDMZCFNVCYFGQ-SNVBAGLBSA-N 0 0 442.295 -0.459 20 30 IBEDRN C#CCN(C(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCS(=O)(=O)C1 ZINC000729334805 1071610336 /nfs/dbraw/zinc/61/03/36/1071610336.db2.gz DIRZTYDTEOSRPM-AWEZNQCLSA-N 0 0 429.476 -0.088 20 30 IBEDRN C#CCN(C(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000729334807 1071610350 /nfs/dbraw/zinc/61/03/50/1071610350.db2.gz DIRZTYDTEOSRPM-CQSZACIVSA-N 0 0 429.476 -0.088 20 30 IBEDRN C#CCN(C(=O)c1ccc2c(c1)S(=O)(=O)N(CCOC)C2=O)[C@H]1CCS(=O)(=O)C1 ZINC000729335208 1071610438 /nfs/dbraw/zinc/61/04/38/1071610438.db2.gz JUSCFMDIESNKKK-AWEZNQCLSA-N 0 0 440.499 -0.260 20 30 IBEDRN C#CCN(C(=O)c1ccc2c(c1)S(=O)(=O)N(CCOC)C2=O)[C@@H]1CCS(=O)(=O)C1 ZINC000729335211 1071610343 /nfs/dbraw/zinc/61/03/43/1071610343.db2.gz JUSCFMDIESNKKK-CQSZACIVSA-N 0 0 440.499 -0.260 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)C1=O ZINC000729347545 1071610415 /nfs/dbraw/zinc/61/04/15/1071610415.db2.gz MXTOXETUDRZIEH-UHFFFAOYSA-N 0 0 429.477 -0.090 20 30 IBEDRN C[C@H](OC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000729358183 1071610397 /nfs/dbraw/zinc/61/03/97/1071610397.db2.gz JICPXSKMQKOFEF-AAEUAGOBSA-N 0 0 429.476 -0.928 20 30 IBEDRN C[C@@H](OC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000729358184 1071611016 /nfs/dbraw/zinc/61/10/16/1071611016.db2.gz JICPXSKMQKOFEF-DGCLKSJQSA-N 0 0 429.476 -0.928 20 30 IBEDRN C[C@H](OC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000729358185 1071611056 /nfs/dbraw/zinc/61/10/56/1071611056.db2.gz JICPXSKMQKOFEF-WCQYABFASA-N 0 0 429.476 -0.928 20 30 IBEDRN C[C@@H](OC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000729358186 1071611032 /nfs/dbraw/zinc/61/10/32/1071611032.db2.gz JICPXSKMQKOFEF-YPMHNXCESA-N 0 0 429.476 -0.928 20 30 IBEDRN C[C@H](OC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000729358483 1071611051 /nfs/dbraw/zinc/61/10/51/1071611051.db2.gz WBRYNOANHCZVPU-GXTWGEPZSA-N 0 0 443.503 -0.586 20 30 IBEDRN C[C@H](OC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000729358484 1071610925 /nfs/dbraw/zinc/61/09/25/1071610925.db2.gz WBRYNOANHCZVPU-JSGCOSHPSA-N 0 0 443.503 -0.586 20 30 IBEDRN C[C@@H](OC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000729358485 1071610932 /nfs/dbraw/zinc/61/09/32/1071610932.db2.gz WBRYNOANHCZVPU-OCCSQVGLSA-N 0 0 443.503 -0.586 20 30 IBEDRN C[C@@H](OC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000729358486 1071610908 /nfs/dbraw/zinc/61/09/08/1071610908.db2.gz WBRYNOANHCZVPU-TZMCWYRMSA-N 0 0 443.503 -0.586 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)CNS(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000729371275 1071612497 /nfs/dbraw/zinc/61/24/97/1071612497.db2.gz LGUTXEFTQIBSPL-UHFFFAOYSA-N 0 0 446.451 -0.123 20 30 IBEDRN C[C@H](OC(=O)CNS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000729381750 1071613186 /nfs/dbraw/zinc/61/31/86/1071613186.db2.gz LISAZVLVNHKPFH-GXTWGEPZSA-N 0 0 443.503 -0.586 20 30 IBEDRN C[C@H](OC(=O)CNS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000729381751 1071613219 /nfs/dbraw/zinc/61/32/19/1071613219.db2.gz LISAZVLVNHKPFH-JSGCOSHPSA-N 0 0 443.503 -0.586 20 30 IBEDRN C[C@@H](OC(=O)CNS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000729381752 1071613083 /nfs/dbraw/zinc/61/30/83/1071613083.db2.gz LISAZVLVNHKPFH-OCCSQVGLSA-N 0 0 443.503 -0.586 20 30 IBEDRN C[C@@H](OC(=O)CNS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000729381753 1071613230 /nfs/dbraw/zinc/61/32/30/1071613230.db2.gz LISAZVLVNHKPFH-TZMCWYRMSA-N 0 0 443.503 -0.586 20 30 IBEDRN C[C@H](OC(=O)CNS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000729382458 1071613226 /nfs/dbraw/zinc/61/32/26/1071613226.db2.gz KPMYHMOAFPHVCT-AAEUAGOBSA-N 0 0 429.476 -0.928 20 30 IBEDRN C[C@@H](OC(=O)CNS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000729382459 1071613223 /nfs/dbraw/zinc/61/32/23/1071613223.db2.gz KPMYHMOAFPHVCT-DGCLKSJQSA-N 0 0 429.476 -0.928 20 30 IBEDRN C[C@H](OC(=O)CNS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000729382460 1071613135 /nfs/dbraw/zinc/61/31/35/1071613135.db2.gz KPMYHMOAFPHVCT-WCQYABFASA-N 0 0 429.476 -0.928 20 30 IBEDRN C[C@@H](OC(=O)CNS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000729382461 1071613192 /nfs/dbraw/zinc/61/31/92/1071613192.db2.gz KPMYHMOAFPHVCT-YPMHNXCESA-N 0 0 429.476 -0.928 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)N(C)CCN2CCN(C(=O)OC(C)(C)C)CC2)C1=O ZINC000729401282 1071613578 /nfs/dbraw/zinc/61/35/78/1071613578.db2.gz SEYHATPFMBYCNI-UHFFFAOYSA-N 0 0 437.497 -0.026 20 30 IBEDRN C=CCNS(=O)(=O)c1cccc(C(=O)O[C@@H](C)C(=O)N[C@@H]2CCS(=O)(=O)C2)c1 ZINC000729502081 1072294640 /nfs/dbraw/zinc/29/46/40/1072294640.db2.gz GATHUPDPIRREOZ-GXTWGEPZSA-N 0 0 430.504 -0.001 20 30 IBEDRN C=CCNS(=O)(=O)c1cccc(C(=O)O[C@@H](C)C(=O)N[C@H]2CCS(=O)(=O)C2)c1 ZINC000729502082 1072294834 /nfs/dbraw/zinc/29/48/34/1072294834.db2.gz GATHUPDPIRREOZ-JSGCOSHPSA-N 0 0 430.504 -0.001 20 30 IBEDRN C=CCNS(=O)(=O)c1cccc(C(=O)O[C@H](C)C(=O)N[C@H]2CCS(=O)(=O)C2)c1 ZINC000729502083 1072294843 /nfs/dbraw/zinc/29/48/43/1072294843.db2.gz GATHUPDPIRREOZ-OCCSQVGLSA-N 0 0 430.504 -0.001 20 30 IBEDRN C=CCNS(=O)(=O)c1cccc(C(=O)O[C@H](C)C(=O)N[C@@H]2CCS(=O)(=O)C2)c1 ZINC000729502084 1072294818 /nfs/dbraw/zinc/29/48/18/1072294818.db2.gz GATHUPDPIRREOZ-TZMCWYRMSA-N 0 0 430.504 -0.001 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)[C@@H]2C[C@@H](O)CN2C(=O)OCc2ccccc2)CC1 ZINC000729533302 1072451477 /nfs/dbraw/zinc/45/14/77/1072451477.db2.gz DEZHPPLJCDCDFU-MOPGFXCFSA-N 0 0 428.489 -0.348 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)c2cc(S(N)(=O)=O)c(Br)s2)CC1 ZINC000729534143 1072477406 /nfs/dbraw/zinc/47/74/06/1072477406.db2.gz ZSHYTQKQRBVZMV-UHFFFAOYSA-N 0 0 449.352 -0.335 20 30 IBEDRN C[C@H](OC(=O)CNS(=O)(=O)c1ccccc1C#N)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000729539537 1072528331 /nfs/dbraw/zinc/52/83/31/1072528331.db2.gz BGPBUSKHKBVEOE-AAEUAGOBSA-N 0 0 429.476 -0.928 20 30 IBEDRN C[C@@H](OC(=O)CNS(=O)(=O)c1ccccc1C#N)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000729539538 1072528217 /nfs/dbraw/zinc/52/82/17/1072528217.db2.gz BGPBUSKHKBVEOE-DGCLKSJQSA-N 0 0 429.476 -0.928 20 30 IBEDRN C[C@H](OC(=O)CNS(=O)(=O)c1ccccc1C#N)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000729539539 1072528209 /nfs/dbraw/zinc/52/82/09/1072528209.db2.gz BGPBUSKHKBVEOE-WCQYABFASA-N 0 0 429.476 -0.928 20 30 IBEDRN C[C@@H](OC(=O)CNS(=O)(=O)c1ccccc1C#N)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000729539540 1072528481 /nfs/dbraw/zinc/52/84/81/1072528481.db2.gz BGPBUSKHKBVEOE-YPMHNXCESA-N 0 0 429.476 -0.928 20 30 IBEDRN C[C@H](OC(=O)CNS(=O)(=O)c1ccccc1C#N)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000729540096 1072526494 /nfs/dbraw/zinc/52/64/94/1072526494.db2.gz OQUFPQBVVCXPSE-GXTWGEPZSA-N 0 0 443.503 -0.586 20 30 IBEDRN C[C@H](OC(=O)CNS(=O)(=O)c1ccccc1C#N)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000729540097 1072526504 /nfs/dbraw/zinc/52/65/04/1072526504.db2.gz OQUFPQBVVCXPSE-JSGCOSHPSA-N 0 0 443.503 -0.586 20 30 IBEDRN C[C@@H](OC(=O)CNS(=O)(=O)c1ccccc1C#N)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000729540098 1072526330 /nfs/dbraw/zinc/52/63/30/1072526330.db2.gz OQUFPQBVVCXPSE-OCCSQVGLSA-N 0 0 443.503 -0.586 20 30 IBEDRN C[C@@H](OC(=O)CNS(=O)(=O)c1ccccc1C#N)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000729540099 1072526475 /nfs/dbraw/zinc/52/64/75/1072526475.db2.gz OQUFPQBVVCXPSE-TZMCWYRMSA-N 0 0 443.503 -0.586 20 30 IBEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CC(=O)N(C)C ZINC000729669050 1072893557 /nfs/dbraw/zinc/89/35/57/1072893557.db2.gz HZKWPDKTFLFTQI-UHFFFAOYSA-N 0 0 438.513 -0.327 20 30 IBEDRN CCOCCn1c(=O)c(=Cc2cnn3ccccc23)sc1=C(C#N)C(=O)NCCOC ZINC000729669052 1072893584 /nfs/dbraw/zinc/89/35/84/1072893584.db2.gz IAAAPSMBLOCQEP-UHFFFAOYSA-N 0 0 441.513 -0.140 20 30 IBEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CC(=O)N(C)C ZINC000729669106 1072893653 /nfs/dbraw/zinc/89/36/53/1072893653.db2.gz IXCRWBMVHRVFHU-UHFFFAOYSA-N 0 0 436.497 -0.549 20 30 IBEDRN CN(C)C(=O)Cn1c(=O)c(=Cc2cnn3ccccc23)sc1=C(C#N)C(=O)NC1CC1 ZINC000729669487 1072893764 /nfs/dbraw/zinc/89/37/64/1072893764.db2.gz PVPIHCDSIGITEW-UHFFFAOYSA-N 0 0 436.497 -0.573 20 30 IBEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CC(=O)N(C)C ZINC000729670042 1072893734 /nfs/dbraw/zinc/89/37/34/1072893734.db2.gz ZKCOGYODAYJENT-UHFFFAOYSA-N 0 0 438.513 -0.325 20 30 IBEDRN Cn1c(=O)c(=Cc2cnn3ccccc23)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000729670295 1072893799 /nfs/dbraw/zinc/89/37/99/1072893799.db2.gz RDGQNLBBUCOXRL-UHFFFAOYSA-N 0 0 438.513 -0.954 20 30 IBEDRN CS(=O)(=O)CCn1c(=O)c(=Cc2ccc(-n3cncn3)c(F)c2)sc1=C(C#N)C#N ZINC000729671163 1072893706 /nfs/dbraw/zinc/89/37/06/1072893706.db2.gz JMUZSBLOSOQVRH-UHFFFAOYSA-N 0 0 444.473 -0.299 20 30 IBEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1CCS(C)(=O)=O ZINC000729671422 1072893665 /nfs/dbraw/zinc/89/36/65/1072893665.db2.gz MDMJXQHHJSWQFK-UHFFFAOYSA-N 0 0 437.547 -0.893 20 30 IBEDRN COCCn1c(=O)c(=Cc2cnn3ccccc23)sc1=C(C#N)C(=O)N[C@@H](C)COC ZINC000729671530 1072894163 /nfs/dbraw/zinc/89/41/63/1072894163.db2.gz KFQNIFBWVYBKCK-AWEZNQCLSA-N 0 0 441.513 -0.142 20 30 IBEDRN COCCn1c(=O)c(=Cc2cnn3ccccc23)sc1=C(C#N)C(=O)N[C@H](C)COC ZINC000729671531 1072894278 /nfs/dbraw/zinc/89/42/78/1072894278.db2.gz KFQNIFBWVYBKCK-CQSZACIVSA-N 0 0 441.513 -0.142 20 30 IBEDRN COCCn1c(=O)c(=Cc2cnn3ccccc23)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000729671532 1072894257 /nfs/dbraw/zinc/89/42/57/1072894257.db2.gz KGKZPRLIRPKNTP-UHFFFAOYSA-N 0 0 439.497 -0.434 20 30 IBEDRN Cn1cc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(CCS(C)(=O)=O)c2=O)cn1 ZINC000729671937 1072894264 /nfs/dbraw/zinc/89/42/64/1072894264.db2.gz XUHHPKFQXFOAFS-UHFFFAOYSA-N 0 0 449.558 -0.750 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CCOC ZINC000729672036 1072894176 /nfs/dbraw/zinc/89/41/76/1072894176.db2.gz UNYNIPRCPXSIJC-UHFFFAOYSA-N 0 0 427.486 -0.530 20 30 IBEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CCOC ZINC000729672058 1072894246 /nfs/dbraw/zinc/89/42/46/1072894246.db2.gz VBMIAZXTQORIPV-UHFFFAOYSA-N 0 0 441.513 -0.140 20 30 IBEDRN CNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CCN1CCOCC1 ZINC000729672082 1072894269 /nfs/dbraw/zinc/89/42/69/1072894269.db2.gz WEOTWJBSZMWBCD-UHFFFAOYSA-N 0 0 438.513 -0.861 20 30 IBEDRN N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CC(N)=O ZINC000729672558 1072894694 /nfs/dbraw/zinc/89/46/94/1072894694.db2.gz UQLVVENFIHWBBW-UHFFFAOYSA-N 0 0 436.497 -0.395 20 30 IBEDRN CNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccc(C(N)=O)cc1 ZINC000729672644 1072895280 /nfs/dbraw/zinc/89/52/80/1072895280.db2.gz ZPAQPLHJXPIOFJ-UHFFFAOYSA-N 0 0 444.476 -0.105 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2C)c(=O)n1CCS(C)(=O)=O ZINC000729672956 1072895026 /nfs/dbraw/zinc/89/50/26/1072895026.db2.gz AGYXWKXNFQJFKU-UHFFFAOYSA-N 0 0 449.554 -0.472 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2)c(=O)n1CCS(C)(=O)=O ZINC000729672963 1072895166 /nfs/dbraw/zinc/89/51/66/1072895166.db2.gz ANBMVPDRDSEOOM-UHFFFAOYSA-N 0 0 449.554 -0.472 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccsc2)c(=O)n1CCS(C)(=O)=O ZINC000729672994 1072895106 /nfs/dbraw/zinc/89/51/06/1072895106.db2.gz BNDSJZWPNIHAGX-UHFFFAOYSA-N 0 0 441.556 -0.718 20 30 IBEDRN CS(=O)(=O)CCn1c(=O)c(=Cc2cccc(F)c2)sc1=C(C#N)C(=O)NC1CC1 ZINC000729673008 1072895123 /nfs/dbraw/zinc/89/51/23/1072895123.db2.gz BTIFPAAONCYIHH-UHFFFAOYSA-N 0 0 435.502 -0.125 20 30 IBEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2F)c(=O)n1CCS(C)(=O)=O ZINC000729673015 1072895182 /nfs/dbraw/zinc/89/51/82/1072895182.db2.gz BXYXCYZXTBELBV-UHFFFAOYSA-N 0 0 435.502 -0.101 20 30 IBEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CCS(C)(=O)=O ZINC000729673051 1072894214 /nfs/dbraw/zinc/89/42/14/1072894214.db2.gz RVQYEUOUTIBMSJ-UHFFFAOYSA-N 0 0 437.547 -0.893 20 30 IBEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC)c(=O)n1CCS(C)(=O)=O ZINC000729673082 1072894318 /nfs/dbraw/zinc/89/43/18/1072894318.db2.gz DBMBELFHEUGXPM-UHFFFAOYSA-N 0 0 447.538 -0.232 20 30 IBEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2)c(=O)n1CCS(C)(=O)=O ZINC000729673173 1072893721 /nfs/dbraw/zinc/89/37/21/1072893721.db2.gz GOVPWRJRXBJOFY-UHFFFAOYSA-N 0 0 435.502 -0.101 20 30 IBEDRN COc1cccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCS(C)(=O)=O)c2=O)c1 ZINC000729673214 1072893622 /nfs/dbraw/zinc/89/36/22/1072893622.db2.gz ISYQLISLUXVQRJ-UHFFFAOYSA-N 0 0 447.538 -0.255 20 30 IBEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC)c(=O)n1CCS(C)(=O)=O ZINC000729673239 1072893792 /nfs/dbraw/zinc/89/37/92/1072893792.db2.gz JWMMINBBQUKENI-UHFFFAOYSA-N 0 0 449.554 -0.008 20 30 IBEDRN Cn1nccc1C=c1sc(=C(C#N)C(=O)NC2CCCC2)n(CCS(C)(=O)=O)c1=O ZINC000729673256 1072893695 /nfs/dbraw/zinc/89/36/95/1072893695.db2.gz VNVPWNRSXRECEQ-UHFFFAOYSA-N 0 0 449.558 -0.750 20 30 IBEDRN COc1cccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CCS(C)(=O)=O)c2=O)c1 ZINC000729673363 1072893639 /nfs/dbraw/zinc/89/36/39/1072893639.db2.gz LOSGICSEJHHIHV-UHFFFAOYSA-N 0 0 449.554 -0.009 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2)c(=O)n1CCS(C)(=O)=O ZINC000729673373 1072893575 /nfs/dbraw/zinc/89/35/75/1072893575.db2.gz MAOZEQVIDAVYLT-UHFFFAOYSA-N 0 0 449.554 -0.472 20 30 IBEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2)c(=O)n1CCS(C)(=O)=O ZINC000729673427 1072893807 /nfs/dbraw/zinc/89/38/07/1072893807.db2.gz OWIBBWDTLGEBDF-UHFFFAOYSA-N 0 0 449.554 -0.008 20 30 IBEDRN COc1ccccc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(CCS(C)(=O)=O)c1=O ZINC000729673486 1072894836 /nfs/dbraw/zinc/89/48/36/1072894836.db2.gz RVIQCBYXUDNEDL-UHFFFAOYSA-N 0 0 447.538 -0.255 20 30 IBEDRN CS(=O)(=O)CCn1c(=O)c(=Cc2ccccc2F)sc1=C(C#N)C(=O)NC1CC1 ZINC000729673503 1072894532 /nfs/dbraw/zinc/89/45/32/1072894532.db2.gz SSXVCSXBRNJAAW-UHFFFAOYSA-N 0 0 435.502 -0.125 20 30 IBEDRN COc1ccccc1C=c1sc(=C(C#N)C(=O)NC(C)C)n(CCS(C)(=O)=O)c1=O ZINC000729673537 1072895715 /nfs/dbraw/zinc/89/57/15/1072895715.db2.gz UKWZTOVBWPVKKX-UHFFFAOYSA-N 0 0 449.554 -0.009 20 30 IBEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2)c(=O)n1CCS(C)(=O)=O ZINC000729673628 1072894793 /nfs/dbraw/zinc/89/47/93/1072894793.db2.gz YHQPUUXVWNWRID-UHFFFAOYSA-N 0 0 447.538 -0.232 20 30 IBEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1CCS(C)(=O)=O ZINC000729674179 1072894761 /nfs/dbraw/zinc/89/47/61/1072894761.db2.gz FFTWXPIVRXOJKA-UHFFFAOYSA-N 0 0 449.554 -0.390 20 30 IBEDRN CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1CCS(C)(=O)=O ZINC000729674207 1072896263 /nfs/dbraw/zinc/89/62/63/1072896263.db2.gz GBSUSHRSEOJXIN-UHFFFAOYSA-N 0 0 434.543 -0.375 20 30 IBEDRN CS(=O)(=O)CCn1c(=O)c(=Cc2ccccc2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000729674381 1072896155 /nfs/dbraw/zinc/89/61/55/1072896155.db2.gz GFFWUNORLPWSCW-UHFFFAOYSA-N 0 0 447.538 -0.684 20 30 IBEDRN CS(=O)(=O)CCn1c(=O)c(=Cc2ccccn2)sc1=C(C#N)C(=O)NC1CCCC1 ZINC000729674419 1072896390 /nfs/dbraw/zinc/89/63/90/1072896390.db2.gz GWZPZEMHDZOSKS-UHFFFAOYSA-N 0 0 446.554 -0.089 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cccs2)c(=O)n1CCS(C)(=O)=O ZINC000729674477 1072896320 /nfs/dbraw/zinc/89/63/20/1072896320.db2.gz IBCLTKNORSHWNE-UHFFFAOYSA-N 0 0 441.556 -0.718 20 30 IBEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1CCS(C)(=O)=O ZINC000729674541 1072894801 /nfs/dbraw/zinc/89/48/01/1072894801.db2.gz JNXVBUTUPPGPSR-UHFFFAOYSA-N 0 0 434.543 -0.231 20 30 IBEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2)c(=O)n1CCS(C)(=O)=O ZINC000729674548 1072894825 /nfs/dbraw/zinc/89/48/25/1072894825.db2.gz JTAWYFOVYOKYNE-UHFFFAOYSA-N 0 0 435.502 -0.101 20 30 IBEDRN CS(=O)(=O)CCn1c(=O)c(=Cc2ccc(F)cc2)sc1=C(C#N)C(=O)NC1CC1 ZINC000729674843 1072894779 /nfs/dbraw/zinc/89/47/79/1072894779.db2.gz OUXQBXQSDGKMEM-UHFFFAOYSA-N 0 0 435.502 -0.125 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1CCS(C)(=O)=O ZINC000729675082 1072991292 /nfs/dbraw/zinc/99/12/92/1072991292.db2.gz RYMRGFPFNXJYKP-UHFFFAOYSA-N 0 0 435.527 -0.780 20 30 IBEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2)c(=O)n1CCS(C)(=O)=O ZINC000729675229 1072894746 /nfs/dbraw/zinc/89/47/46/1072894746.db2.gz VWDOGVVLEBQNRR-UHFFFAOYSA-N 0 0 447.538 -0.232 20 30 IBEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CCS(C)(=O)=O)c2=O)cc1 ZINC000729675230 1072894581 /nfs/dbraw/zinc/89/45/81/1072894581.db2.gz VWYFZTQJXXIBIR-UHFFFAOYSA-N 0 0 449.554 -0.009 20 30 IBEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2)c(=O)n1CCS(C)(=O)=O ZINC000729675250 1072894633 /nfs/dbraw/zinc/89/46/33/1072894633.db2.gz XEDFFRSDZLBMOE-UHFFFAOYSA-N 0 0 449.554 -0.008 20 30 IBEDRN COc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCS(C)(=O)=O)c2=O)cc1 ZINC000729675287 1072894603 /nfs/dbraw/zinc/89/46/03/1072894603.db2.gz ZESOVGWPNBXEPD-UHFFFAOYSA-N 0 0 447.538 -0.255 20 30 IBEDRN C[C@H](OC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000729687365 1072923528 /nfs/dbraw/zinc/92/35/28/1072923528.db2.gz GJSLACVLXVSYID-GXTWGEPZSA-N 0 0 443.503 -0.273 20 30 IBEDRN C[C@H](OC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000729687366 1072923681 /nfs/dbraw/zinc/92/36/81/1072923681.db2.gz GJSLACVLXVSYID-JSGCOSHPSA-N 0 0 443.503 -0.273 20 30 IBEDRN C[C@@H](OC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000729687367 1072923764 /nfs/dbraw/zinc/92/37/64/1072923764.db2.gz GJSLACVLXVSYID-OCCSQVGLSA-N 0 0 443.503 -0.273 20 30 IBEDRN C[C@@H](OC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000729687368 1072924130 /nfs/dbraw/zinc/92/41/30/1072924130.db2.gz GJSLACVLXVSYID-TZMCWYRMSA-N 0 0 443.503 -0.273 20 30 IBEDRN Cn1cc(/C=C/C(=O)c2cccc(N(S(C)(=O)=O)S(C)(=O)=O)c2)c(=O)n(C)c1=O ZINC000729824083 1072957368 /nfs/dbraw/zinc/95/73/68/1072957368.db2.gz VWOLLWDHUPNBBS-CMDGGOBGSA-N 0 0 441.487 -0.294 20 30 IBEDRN Cn1cc(/C=C\C(=O)c2cccc(N(S(C)(=O)=O)S(C)(=O)=O)c2)c(=O)n(C)c1=O ZINC000729824084 1072957503 /nfs/dbraw/zinc/95/75/03/1072957503.db2.gz VWOLLWDHUPNBBS-HJWRWDBZSA-N 0 0 441.487 -0.294 20 30 IBEDRN C#CCN(C(=O)CCCC(=O)N(CC#C)[C@H]1CCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000729841310 1073005633 /nfs/dbraw/zinc/00/56/33/1073005633.db2.gz VXHPOLQLLDDVHQ-CALCHBBNSA-N 0 0 442.559 -0.546 20 30 IBEDRN C#CCN(C(=O)CCCC(=O)N(CC#C)[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000729841311 1073005666 /nfs/dbraw/zinc/00/56/66/1073005666.db2.gz VXHPOLQLLDDVHQ-IAGOWNOFSA-N 0 0 442.559 -0.546 20 30 IBEDRN C#CCN(C(=O)CCCC(=O)N(CC#C)[C@H]1CCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 ZINC000729841313 1073005662 /nfs/dbraw/zinc/00/56/62/1073005662.db2.gz VXHPOLQLLDDVHQ-IRXDYDNUSA-N 0 0 442.559 -0.546 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)c2c(F)ccc(S(=O)(=O)NC3CC3)c2F)CC1 ZINC000729844487 1073017716 /nfs/dbraw/zinc/01/77/16/1073017716.db2.gz OXVBNJKSPLLUFR-UHFFFAOYSA-N 0 0 440.472 -0.087 20 30 IBEDRN CNC(=O)C1(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 ZINC000730042447 1073386380 /nfs/dbraw/zinc/38/63/80/1073386380.db2.gz CPXUNCIMESTSRW-UHFFFAOYSA-N 0 0 434.474 -0.539 20 30 IBEDRN CNC(=O)C1(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCC1 ZINC000730045363 1073386398 /nfs/dbraw/zinc/38/63/98/1073386398.db2.gz IMRAYTFUZYZLHC-UHFFFAOYSA-N 0 0 448.501 -0.149 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)c2cc(S(=O)(=O)N3CCC[C@H](C)C3)cn2C)CC1 ZINC000730220215 1073387668 /nfs/dbraw/zinc/38/76/68/1073387668.db2.gz PLTWVHPSNCHMBB-KRWDZBQOSA-N 0 0 449.577 -0.047 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)c2cc(S(=O)(=O)N3CCC[C@@H](C)C3)cn2C)CC1 ZINC000730220216 1073387519 /nfs/dbraw/zinc/38/75/19/1073387519.db2.gz PLTWVHPSNCHMBB-QGZVFWFLSA-N 0 0 449.577 -0.047 20 30 IBEDRN COc1ccc(C=c2sc(=C(C#N)C#N)n(CCS(C)(=O)=O)c2=O)cc1[N+](=O)[O-] ZINC000730251068 1073387568 /nfs/dbraw/zinc/38/75/68/1073387568.db2.gz DRFGKHLQCSGIFS-UHFFFAOYSA-N 0 0 434.455 -0.102 20 30 IBEDRN COc1ccc(C=c2sc(=C(C#N)C#N)n(CCNS(C)(=O)=O)c2=O)cc1[N+](=O)[O-] ZINC000730253239 1073387633 /nfs/dbraw/zinc/38/76/33/1073387633.db2.gz UNXPJNMSWPSLPN-UHFFFAOYSA-N 0 0 449.470 -0.598 20 30 IBEDRN C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc(C)cc(S(C)(=O)=O)c2C)CC1 ZINC000730266322 1073388103 /nfs/dbraw/zinc/38/81/03/1073388103.db2.gz BKICHEVMYIOCLD-UHFFFAOYSA-N 0 0 427.548 -0.237 20 30 IBEDRN O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCCS(=O)(=O)N1CCSCC1 ZINC000730500294 1073389780 /nfs/dbraw/zinc/38/97/80/1073389780.db2.gz NJSYSWIJOPCGIH-UHFFFAOYSA-N 0 0 432.549 -0.780 20 30 IBEDRN COc1cc(C=NNC(=S)NCCN2CCOCC2)cc(OC)c1OCC(N)=O ZINC000730544647 1073390510 /nfs/dbraw/zinc/39/05/10/1073390510.db2.gz WDZXVFPZXOBWOE-UHFFFAOYSA-N 0 0 425.511 -0.302 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CCN(c3ccc4c(c3)OCCO4)C2=O)CC1 ZINC000730545461 1073390532 /nfs/dbraw/zinc/39/05/32/1073390532.db2.gz GFJZLWQUPQPLOH-KRWDZBQOSA-N 0 0 426.473 -0.296 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)[C@H]2CCN(c3ccc4c(c3)OCCO4)C2=O)CC1 ZINC000730545462 1073390664 /nfs/dbraw/zinc/39/06/64/1073390664.db2.gz GFJZLWQUPQPLOH-QGZVFWFLSA-N 0 0 426.473 -0.296 20 30 IBEDRN O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCCS(=O)(=O)N1CCSCC1 ZINC000730550773 1073390545 /nfs/dbraw/zinc/39/05/45/1073390545.db2.gz IEJVBJNJWJUQCO-UHFFFAOYSA-N 0 0 446.576 -0.390 20 30 IBEDRN C#CCNS(=O)(=O)c1cccc(C(=O)NCCS(=O)(=O)N2CCSCC2)c1 ZINC000730550894 1073390607 /nfs/dbraw/zinc/39/06/07/1073390607.db2.gz NQNZYDINGMZXJC-UHFFFAOYSA-N 0 0 431.561 -0.294 20 30 IBEDRN C#CCNS(=O)(=O)c1ccc(C(=O)NCCS(=O)(=O)N2CCSCC2)cc1 ZINC000730551189 1073390648 /nfs/dbraw/zinc/39/06/48/1073390648.db2.gz VBSKFYYCYHFSAA-UHFFFAOYSA-N 0 0 431.561 -0.294 20 30 IBEDRN COCCOc1ccc(C=c2sc(=C(C#N)C#N)n(CCNS(C)(=O)=O)c2=O)cc1 ZINC000730564592 1073390639 /nfs/dbraw/zinc/39/06/39/1073390639.db2.gz KXEWARYXYZCHIV-UHFFFAOYSA-N 0 0 448.526 -0.489 20 30 IBEDRN CC(=O)N1CCN(C(=O)CCNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC000730783333 1073392812 /nfs/dbraw/zinc/39/28/12/1073392812.db2.gz KUHGBIOXQCCZRC-UHFFFAOYSA-N 0 0 435.506 -0.688 20 30 IBEDRN CC(=O)N1CCN(C(=O)CCNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC000730788222 1073393124 /nfs/dbraw/zinc/39/31/24/1073393124.db2.gz XYJJYSWDLJGJTB-UHFFFAOYSA-N 0 0 449.533 -0.298 20 30 IBEDRN C#CCOc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)cc1 ZINC000731126080 1073394924 /nfs/dbraw/zinc/39/49/24/1073394924.db2.gz AXQBYMZPXHBFRE-UHFFFAOYSA-N 0 0 436.490 -0.642 20 30 IBEDRN C#CCOc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)c1 ZINC000731126217 1073394865 /nfs/dbraw/zinc/39/48/65/1073394865.db2.gz DJXJUUFLXPEYFQ-UHFFFAOYSA-N 0 0 436.490 -0.642 20 30 IBEDRN C#CCOc1ccc(NC(=O)C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)cc1 ZINC000731126510 1073394851 /nfs/dbraw/zinc/39/48/51/1073394851.db2.gz PRYDATNNGOQCFI-UHFFFAOYSA-N 0 0 428.445 -0.833 20 30 IBEDRN C#CCOc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)cc1 ZINC000731126882 1073394939 /nfs/dbraw/zinc/39/49/39/1073394939.db2.gz NUOVXZGBCITECC-UHFFFAOYSA-N 0 0 449.533 -0.727 20 30 IBEDRN C#CCOc1cccc(NC(=O)C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)c1 ZINC000731126890 1073394970 /nfs/dbraw/zinc/39/49/70/1073394970.db2.gz VDFGMGHWMQCSQF-UHFFFAOYSA-N 0 0 428.445 -0.833 20 30 IBEDRN C#CCOc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)c1 ZINC000731127193 1073394761 /nfs/dbraw/zinc/39/47/61/1073394761.db2.gz YCMPPNSTBCCDMZ-UHFFFAOYSA-N 0 0 449.533 -0.727 20 30 IBEDRN CC(=NNc1nc2[nH][nH]cc-2c(=O)n1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000731154284 1073394744 /nfs/dbraw/zinc/39/47/44/1073394744.db2.gz DGFLQABCLLKDLP-UHFFFAOYSA-N 0 0 439.479 -0.006 20 30 IBEDRN Cc1ccc(C(=O)NCCS(=O)(=O)N2CCOCC2)cc1S(=O)(=O)NCC#N ZINC000731189221 1073394774 /nfs/dbraw/zinc/39/47/74/1073394774.db2.gz VMTCSGQHBGJQKY-UHFFFAOYSA-N 0 0 430.508 -0.811 20 30 IBEDRN C#CCN(CC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000731212518 1073394802 /nfs/dbraw/zinc/39/48/02/1073394802.db2.gz CVLIZLVKBVBAMX-IBGZPJMESA-N 0 0 433.530 -0.103 20 30 IBEDRN C#CCN(CC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000731212520 1073395426 /nfs/dbraw/zinc/39/54/26/1073395426.db2.gz CVLIZLVKBVBAMX-LJQANCHMSA-N 0 0 433.530 -0.103 20 30 IBEDRN Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)OCC(=O)NCC#N)CC2)cc1 ZINC000731233076 1073395173 /nfs/dbraw/zinc/39/51/73/1073395173.db2.gz FYBCDJINIYTZHT-UHFFFAOYSA-N 0 0 436.490 -0.209 20 30 IBEDRN Cn1c(CCC(=O)OCC(=O)NCC#N)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000731237831 1073395262 /nfs/dbraw/zinc/39/52/62/1073395262.db2.gz PJAHFALIAZNXBI-UHFFFAOYSA-N 0 0 449.489 -0.290 20 30 IBEDRN N#CCNC(=O)COC(=O)CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21 ZINC000731238282 1073395622 /nfs/dbraw/zinc/39/56/22/1073395622.db2.gz CVNRQDBISOBJDQ-UHFFFAOYSA-N 0 0 436.446 -0.048 20 30 IBEDRN N#CCNC(=O)COC(=O)CS(=O)(=O)CC(=O)Nc1cccc(Br)c1 ZINC000731242231 1073395686 /nfs/dbraw/zinc/39/56/86/1073395686.db2.gz PSEVFPVQCBLJPN-UHFFFAOYSA-N 0 0 432.252 -0.015 20 30 IBEDRN COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)OCC(=O)NCC#N)c1OC ZINC000731242235 1073395815 /nfs/dbraw/zinc/39/58/15/1073395815.db2.gz QFCYTKFEEMRYJC-UHFFFAOYSA-N 0 0 427.435 -0.479 20 30 IBEDRN C=CCNS(=O)(=O)c1ccc(C(=O)OCCN(C)S(=O)(=O)N2CCOCC2)cc1 ZINC000731291128 1073396172 /nfs/dbraw/zinc/39/61/72/1073396172.db2.gz ISDILQJHVITAQU-UHFFFAOYSA-N 0 0 447.535 -0.184 20 30 IBEDRN C#CCNS(=O)(=O)c1ccc(C(=O)OCCN(C)S(=O)(=O)N2CCOCC2)cc1 ZINC000731291610 1073396597 /nfs/dbraw/zinc/39/65/97/1073396597.db2.gz QMFSUWSJHDZDST-UHFFFAOYSA-N 0 0 445.519 -0.736 20 30 IBEDRN C=CCNS(=O)(=O)c1cccc(C(=O)OCCN(C)S(=O)(=O)N2CCOCC2)c1 ZINC000731292508 1073396848 /nfs/dbraw/zinc/39/68/48/1073396848.db2.gz WFNYZEBFUHEPRR-UHFFFAOYSA-N 0 0 447.535 -0.184 20 30 IBEDRN CCN(C1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1)S(C)(=O)=O ZINC000731347479 1073397797 /nfs/dbraw/zinc/39/77/97/1073397797.db2.gz HDUHWAPYMLDNEW-UHFFFAOYSA-N 0 0 428.536 -0.002 20 30 IBEDRN CCS(=O)(=O)N(C)C1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC000731347626 1073397771 /nfs/dbraw/zinc/39/77/71/1073397771.db2.gz GRIVIHCRYCDTOF-UHFFFAOYSA-N 0 0 428.536 -0.002 20 30 IBEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC(N(CC)S(C)(=O)=O)CC2)c1=O ZINC000731351502 1073397630 /nfs/dbraw/zinc/39/76/30/1073397630.db2.gz RSFQCGYBDNCKPT-UHFFFAOYSA-N 0 0 427.527 -0.753 20 30 IBEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC(N(C)S(=O)(=O)CC)CC2)c1=O ZINC000731353452 1073397584 /nfs/dbraw/zinc/39/75/84/1073397584.db2.gz XGJQYILRTIQPHN-UHFFFAOYSA-N 0 0 427.527 -0.753 20 30 IBEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC(CC(=O)N3CCN(C)CC3)CC2)c1=O ZINC000731355639 1073398105 /nfs/dbraw/zinc/39/81/05/1073398105.db2.gz DQCKQZYSFUVALX-UHFFFAOYSA-N 0 0 446.552 -0.623 20 30 IBEDRN C#CCN1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC000731372116 1073398223 /nfs/dbraw/zinc/39/82/23/1073398223.db2.gz QJGZVXLYKUQWGI-KRWDZBQOSA-N 0 0 432.502 -0.052 20 30 IBEDRN C=CCNS(=O)(=O)c1cc(C(=O)N[C@H](C)C(=O)N2CCS(=O)(=O)CC2)ccc1F ZINC000731477772 1073399630 /nfs/dbraw/zinc/39/96/30/1073399630.db2.gz YRLXJOKJOLYBFH-GFCCVEGCSA-N 0 0 447.510 -0.335 20 30 IBEDRN C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H](C)C(=O)N2CCS(=O)(=O)CC2)ccc1F ZINC000731477773 1073399546 /nfs/dbraw/zinc/39/95/46/1073399546.db2.gz YRLXJOKJOLYBFH-LBPRGKRZSA-N 0 0 447.510 -0.335 20 30 IBEDRN C#CCNS(=O)(=O)c1ccc(C(=O)NC2CCN(CCS(C)(=O)=O)CC2)cc1 ZINC000731649057 1073402123 /nfs/dbraw/zinc/40/21/23/1073402123.db2.gz WCSPVFXWNQWDGD-UHFFFAOYSA-N 0 0 427.548 -0.163 20 30 IBEDRN O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCCS(=O)(=O)NCC1CCC1 ZINC000731649289 1073402215 /nfs/dbraw/zinc/40/22/15/1073402215.db2.gz HXJVYBVFOAKYPO-UHFFFAOYSA-N 0 0 428.536 -0.049 20 30 IBEDRN C#CCNS(=O)(=O)c1cccc(C(=O)NC2CCN(CCS(C)(=O)=O)CC2)c1 ZINC000731649445 1073402112 /nfs/dbraw/zinc/40/21/12/1073402112.db2.gz QDMYOFUTJIAFFS-UHFFFAOYSA-N 0 0 427.548 -0.163 20 30 IBEDRN CS(=O)(=O)CCN1CCC(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC000731650701 1073402782 /nfs/dbraw/zinc/40/27/82/1073402782.db2.gz WOPNZAUHSJLMIQ-UHFFFAOYSA-N 0 0 442.563 -0.260 20 30 IBEDRN CCNS(=O)(=O)CCNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000731685164 1073404689 /nfs/dbraw/zinc/40/46/89/1073404689.db2.gz RIHDRBRIHUDYAE-UHFFFAOYSA-N 0 0 429.524 -0.487 20 30 IBEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CS(=O)(=O)NC(C)(C)C)CC2)o1 ZINC000731730941 1073408766 /nfs/dbraw/zinc/40/87/66/1073408766.db2.gz ACYJYHXTVHULGW-UHFFFAOYSA-N 0 0 427.483 -0.236 20 30 IBEDRN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCS(=O)(=O)NCC)cc1 ZINC000731764084 1073410910 /nfs/dbraw/zinc/41/09/10/1073410910.db2.gz JUYHDJNCTKORDC-UHFFFAOYSA-N 0 0 432.524 -0.513 20 30 IBEDRN O=C(NCCNS(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)C1N=CC=CC1=O ZINC000731851111 1073412338 /nfs/dbraw/zinc/41/23/38/1073412338.db2.gz HNOZUOJNRZHUDD-MSUUIHNZSA-N 0 0 440.503 -0.068 20 30 IBEDRN O=C(NCCNS(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)C1N=CC=CC1=O ZINC000731851112 1073412334 /nfs/dbraw/zinc/41/23/34/1073412334.db2.gz HNOZUOJNRZHUDD-WUKNDPDISA-N 0 0 440.503 -0.068 20 30 IBEDRN CN(C)S(=O)(=O)c1cccc(S(=O)(=O)NCCNC(=O)C2N=CC=CC2=O)c1 ZINC000731851418 1073412346 /nfs/dbraw/zinc/41/23/46/1073412346.db2.gz VRDZAZINZSOIIH-FOCLMDBBSA-N 0 0 428.492 -0.258 20 30 IBEDRN CN(C)S(=O)(=O)c1cccc(S(=O)(=O)NCCNC(=O)C2N=CC=CC2=O)c1 ZINC000731851419 1073412210 /nfs/dbraw/zinc/41/22/10/1073412210.db2.gz VRDZAZINZSOIIH-NXVVXOECSA-N 0 0 428.492 -0.258 20 30 IBEDRN C=CCNS(=O)(=O)c1cc(C(=O)NCC(=O)NCCN2CCOCC2)ccc1F ZINC000731888758 1073414436 /nfs/dbraw/zinc/41/44/36/1073414436.db2.gz ZZRYGKPKJUODBW-UHFFFAOYSA-N 0 0 428.486 -0.532 20 30 IBEDRN CNC(=O)CNC(=S)NN=C(C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000731927399 1073415794 /nfs/dbraw/zinc/41/57/94/1073415794.db2.gz GTRGDIRISGFITR-UHFFFAOYSA-N 0 0 435.553 -0.654 20 30 IBEDRN CN(C)C(=O)CN1c2ccc(Br)cc2C(=NNC(=S)NCC(N)=O)C1=O ZINC000731928195 1073415699 /nfs/dbraw/zinc/41/56/99/1073415699.db2.gz KGIHVQRZXZRCQG-UHFFFAOYSA-N 0 0 441.311 -0.463 20 30 IBEDRN CNC(=O)CNC(=S)NN=C1CCN(S(=O)(=O)c2ccc(NC(C)=O)cc2)CC1 ZINC000731928761 1073415676 /nfs/dbraw/zinc/41/56/76/1073415676.db2.gz IFHPZTHUGOOIEY-UHFFFAOYSA-N 0 0 440.551 -0.004 20 30 IBEDRN CC(=O)Nc1ccc(S(=O)(=O)N2CCC(=NNC(=S)NCC(N)=O)CC2)cc1 ZINC000731930444 1073415661 /nfs/dbraw/zinc/41/56/61/1073415661.db2.gz ZEFQFLWLCBELKY-UHFFFAOYSA-N 0 0 426.524 -0.265 20 30 IBEDRN O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCCS(=O)(=O)NC[C@H]1CCCCO1 ZINC000732031737 1073416522 /nfs/dbraw/zinc/41/65/22/1073416522.db2.gz XIJQLECATGSTRW-CYBMUJFWSA-N 0 0 444.535 -0.670 20 30 IBEDRN O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000732031738 1073416573 /nfs/dbraw/zinc/41/65/73/1073416573.db2.gz XIJQLECATGSTRW-ZDUSSCGKSA-N 0 0 444.535 -0.670 20 30 IBEDRN N#CCOc1ccc(CC(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000732058528 1073417356 /nfs/dbraw/zinc/41/73/56/1073417356.db2.gz BGRLMFFFOQFDND-KRWDZBQOSA-N 0 0 441.531 -0.207 20 30 IBEDRN N#CCOc1ccc(CC(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000732058529 1073417281 /nfs/dbraw/zinc/41/72/81/1073417281.db2.gz BGRLMFFFOQFDND-QGZVFWFLSA-N 0 0 441.531 -0.207 20 30 IBEDRN CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(S(N)(=O)=O)CC1 ZINC000732066744 1073417414 /nfs/dbraw/zinc/41/74/14/1073417414.db2.gz WFVVYBYYYVIWGK-AWEZNQCLSA-N 0 0 443.551 -0.368 20 30 IBEDRN CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(S(N)(=O)=O)CC1 ZINC000732066749 1073417198 /nfs/dbraw/zinc/41/71/98/1073417198.db2.gz WFVVYBYYYVIWGK-CQSZACIVSA-N 0 0 443.551 -0.368 20 30 IBEDRN NS(=O)(=O)N1CCN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC000732066916 1073417331 /nfs/dbraw/zinc/41/73/31/1073417331.db2.gz ZAVSADOUTWVLMW-UHFFFAOYSA-N 0 0 443.551 -0.367 20 30 IBEDRN CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(S(N)(=O)=O)CC1 ZINC000732069211 1073418086 /nfs/dbraw/zinc/41/80/86/1073418086.db2.gz YHKHRNZZHXBUKI-AWEZNQCLSA-N 0 0 443.551 -0.513 20 30 IBEDRN CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(S(N)(=O)=O)CC1 ZINC000732069212 1073418188 /nfs/dbraw/zinc/41/81/88/1073418188.db2.gz YHKHRNZZHXBUKI-CQSZACIVSA-N 0 0 443.551 -0.513 20 30 IBEDRN C=CCNS(=O)(=O)c1cc(C(=O)NCC(=O)N2CCC[C@H]2C(=O)NC)ccc1F ZINC000732073838 1073418790 /nfs/dbraw/zinc/41/87/90/1073418790.db2.gz KRWITDUHAIXVSV-AWEZNQCLSA-N 0 0 426.470 -0.243 20 30 IBEDRN C=CCNS(=O)(=O)c1cc(C(=O)NCC(=O)N2CCC[C@@H]2C(=O)NC)ccc1F ZINC000732073839 1073418638 /nfs/dbraw/zinc/41/86/38/1073418638.db2.gz KRWITDUHAIXVSV-CQSZACIVSA-N 0 0 426.470 -0.243 20 30 IBEDRN CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 ZINC000732074339 1073418616 /nfs/dbraw/zinc/41/86/16/1073418616.db2.gz QEKWCAAPNHAFLX-AWEZNQCLSA-N 0 0 435.506 -0.642 20 30 IBEDRN CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 ZINC000732074343 1073418774 /nfs/dbraw/zinc/41/87/74/1073418774.db2.gz QEKWCAAPNHAFLX-CQSZACIVSA-N 0 0 435.506 -0.642 20 30 IBEDRN COC(=O)CN(CCN1CCOCC1)C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 ZINC000732098270 1073419434 /nfs/dbraw/zinc/41/94/34/1073419434.db2.gz UZWMIHVKLZNYSA-UHFFFAOYSA-N 0 0 438.506 -0.551 20 30 IBEDRN COCCNC(=O)CN1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC000732117873 1073421052 /nfs/dbraw/zinc/42/10/52/1073421052.db2.gz GFVGJCPOYIFMNT-UHFFFAOYSA-N 0 0 437.522 -0.978 20 30 IBEDRN O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCC(=O)NCCN1CCOCC1 ZINC000732157938 1073421558 /nfs/dbraw/zinc/42/15/58/1073421558.db2.gz MEDACOXFVCVBNA-UHFFFAOYSA-N 0 0 437.522 -0.930 20 30 IBEDRN C#CCNS(=O)(=O)c1cccc(C(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)c1 ZINC000732163608 1073421577 /nfs/dbraw/zinc/42/15/77/1073421577.db2.gz FOSHYATUCNYGBW-INIZCTEOSA-N 0 0 443.547 -0.184 20 30 IBEDRN C#CCNS(=O)(=O)c1cccc(C(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)c1 ZINC000732163609 1073421611 /nfs/dbraw/zinc/42/16/11/1073421611.db2.gz FOSHYATUCNYGBW-MRXNPFEDSA-N 0 0 443.547 -0.184 20 30 IBEDRN C#CCNS(=O)(=O)c1ccc(C(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)cc1 ZINC000732163748 1073421633 /nfs/dbraw/zinc/42/16/33/1073421633.db2.gz JQEDPTKNDOXSFM-INIZCTEOSA-N 0 0 443.547 -0.184 20 30 IBEDRN C#CCNS(=O)(=O)c1ccc(C(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)cc1 ZINC000732163749 1073421533 /nfs/dbraw/zinc/42/15/33/1073421533.db2.gz JQEDPTKNDOXSFM-MRXNPFEDSA-N 0 0 443.547 -0.184 20 30 IBEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)C3CCC4(CC3)NC(=O)NC4=O)CC2)o1 ZINC000732345997 1073424539 /nfs/dbraw/zinc/42/45/39/1073424539.db2.gz KYCJGYMVXLRRGB-UHFFFAOYSA-N 0 0 444.448 -0.185 20 30 IBEDRN N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)COC(=O)CN2CC(=O)NC2=O)CC1 ZINC000732356451 1073425935 /nfs/dbraw/zinc/42/59/35/1073425935.db2.gz FHORGMJJPHEZKI-UHFFFAOYSA-N 0 0 442.388 -0.450 20 30 IBEDRN CCN(CC)S(=O)(=O)N1CCN(C(=O)NCCNC(=O)C2N=CC=CC2=O)CC1 ZINC000732467912 1073428757 /nfs/dbraw/zinc/42/87/57/1073428757.db2.gz YSHIJAKAJXSPKI-FOCLMDBBSA-N 0 0 428.515 -0.573 20 30 IBEDRN CCN(CC)S(=O)(=O)N1CCN(C(=O)NCCNC(=O)C2N=CC=CC2=O)CC1 ZINC000732467916 1073428393 /nfs/dbraw/zinc/42/83/93/1073428393.db2.gz YSHIJAKAJXSPKI-NXVVXOECSA-N 0 0 428.515 -0.573 20 30 IBEDRN CCn1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCN3CCOCC3)c2=O)cn1 ZINC000732560915 1073430705 /nfs/dbraw/zinc/43/07/05/1073430705.db2.gz CGQIOQVAMROBHB-UHFFFAOYSA-N 0 0 442.545 -0.760 20 30 IBEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(CC)c2)c(=O)n1CCN1CCOCC1 ZINC000732560958 1073430608 /nfs/dbraw/zinc/43/06/08/1073430608.db2.gz DPYSSERMHAZFJD-UHFFFAOYSA-N 0 0 444.561 -0.512 20 30 IBEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(CC)c2)c(=O)n1CCN1CCOCC1 ZINC000732561085 1073430099 /nfs/dbraw/zinc/43/00/99/1073430099.db2.gz GEBAKQAKEPEUDB-UHFFFAOYSA-N 0 0 442.545 -0.736 20 30 IBEDRN CCn1cc(C=c2sc(=C(C#N)C(=O)NCCCOC)n(C[C@@H]3CCCO3)c2=O)cn1 ZINC000732561094 1073430077 /nfs/dbraw/zinc/43/00/77/1073430077.db2.gz GZWRINUBZPHDTF-INIZCTEOSA-N 0 0 445.545 -0.039 20 30 IBEDRN CCn1cc(C=c2sc(=C(C#N)C(=O)NCCCOC)n(C[C@H]3CCCO3)c2=O)cn1 ZINC000732561095 1073430090 /nfs/dbraw/zinc/43/00/90/1073430090.db2.gz GZWRINUBZPHDTF-MRXNPFEDSA-N 0 0 445.545 -0.039 20 30 IBEDRN CCOCCCn1c(=O)c(=Cc2cnn(CC)c2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000732561109 1073430732 /nfs/dbraw/zinc/43/07/32/1073430732.db2.gz HJRKEQXSHNIOAT-UHFFFAOYSA-N 0 0 445.545 -0.085 20 30 IBEDRN CCn1cc(C=c2sc(=C(C#N)C(=O)NCCOC)n(C[C@@H]3CCCO3)c2=O)cn1 ZINC000732561124 1073430656 /nfs/dbraw/zinc/43/06/56/1073430656.db2.gz HUXIHIGLLHWPEM-HNNXBMFYSA-N 0 0 431.518 -0.429 20 30 IBEDRN CCn1cc(C=c2sc(=C(C#N)C(=O)NCCOC)n(C[C@H]3CCCO3)c2=O)cn1 ZINC000732561127 1073430665 /nfs/dbraw/zinc/43/06/65/1073430665.db2.gz HUXIHIGLLHWPEM-OAHLLOKOSA-N 0 0 431.518 -0.429 20 30 IBEDRN CCn1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C[C@@H]3CCCO3)c2=O)cn1 ZINC000732561271 1073430167 /nfs/dbraw/zinc/43/01/67/1073430167.db2.gz JSZDFUCUIMXWFJ-INIZCTEOSA-N 0 0 443.529 -0.333 20 30 IBEDRN CCn1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C[C@H]3CCCO3)c2=O)cn1 ZINC000732561272 1073430156 /nfs/dbraw/zinc/43/01/56/1073430156.db2.gz JSZDFUCUIMXWFJ-MRXNPFEDSA-N 0 0 443.529 -0.333 20 30 IBEDRN CCn1cc(C=c2sc(=C(C#N)C(=O)N[C@H](C)COC)n(C[C@H]3CCCO3)c2=O)cn1 ZINC000732561611 1073430790 /nfs/dbraw/zinc/43/07/90/1073430790.db2.gz RLYAKKBWINXIIH-GDBMZVCRSA-N 0 0 445.545 -0.041 20 30 IBEDRN CCn1cc(C=c2sc(=C(C#N)C(=O)N[C@@H](C)COC)n(C[C@H]3CCCO3)c2=O)cn1 ZINC000732561613 1073430634 /nfs/dbraw/zinc/43/06/34/1073430634.db2.gz RLYAKKBWINXIIH-GOEBONIOSA-N 0 0 445.545 -0.041 20 30 IBEDRN CCn1cc(C=c2sc(=C(C#N)C(=O)N[C@@H](C)COC)n(C[C@@H]3CCCO3)c2=O)cn1 ZINC000732561614 1073430769 /nfs/dbraw/zinc/43/07/69/1073430769.db2.gz RLYAKKBWINXIIH-HOCLYGCPSA-N 0 0 445.545 -0.041 20 30 IBEDRN CCn1cc(C=c2sc(=C(C#N)C(=O)N[C@H](C)COC)n(C[C@@H]3CCCO3)c2=O)cn1 ZINC000732561615 1073430586 /nfs/dbraw/zinc/43/05/86/1073430586.db2.gz RLYAKKBWINXIIH-ZBFHGGJFSA-N 0 0 445.545 -0.041 20 30 IBEDRN C=CCn1c(=O)c(=Cc2cnn(CC)c2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000732561833 1073430671 /nfs/dbraw/zinc/43/06/71/1073430671.db2.gz UJSLLRRRZQPEET-UHFFFAOYSA-N 0 0 442.545 -0.736 20 30 IBEDRN CCn1cc(C=c2sc(=C(C#N)C(=O)N3CCN(CC)CC3)n(CCOC)c2=O)cn1 ZINC000732561907 1073430776 /nfs/dbraw/zinc/43/07/76/1073430776.db2.gz WEDVSCLGLZAKII-UHFFFAOYSA-N 0 0 444.561 -0.560 20 30 IBEDRN CCn1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CCN3CCOCC3)c2=O)cn1 ZINC000732561909 1073430641 /nfs/dbraw/zinc/43/06/41/1073430641.db2.gz WJQOAXWOZIFDKI-UHFFFAOYSA-N 0 0 444.561 -0.514 20 30 IBEDRN C=CCn1c(=O)c(=Cc2cnn(CC)c2)sc1=C(C#N)C(=O)N1CCN(CC)CC1 ZINC000732561933 1073430736 /nfs/dbraw/zinc/43/07/36/1073430736.db2.gz XITRCPLMDDWIAI-UHFFFAOYSA-N 0 0 426.546 -0.021 20 30 IBEDRN CCCn1c(=O)c(=Cc2cnn(CC)c2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000732562053 1073430620 /nfs/dbraw/zinc/43/06/20/1073430620.db2.gz ZOUXPKNUEXEWLJ-UHFFFAOYSA-N 0 0 444.561 -0.512 20 30 IBEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(CC)c2)c(=O)n1CC(=O)N(C)C ZINC000732562448 1073430755 /nfs/dbraw/zinc/43/07/55/1073430755.db2.gz ANHFLYRZYCHFGW-UHFFFAOYSA-N 0 0 430.534 -0.366 20 30 IBEDRN CCOCCn1c(=O)c(=Cc2cnn(CC)c2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000732562512 1073431117 /nfs/dbraw/zinc/43/11/17/1073431117.db2.gz DNIFYZHAKUPIJS-UHFFFAOYSA-N 0 0 431.518 -0.475 20 30 IBEDRN CCn1cc(C=c2sc(=C(C#N)C#N)n(Cc3ccc(S(N)(=O)=O)cc3)c2=O)cn1 ZINC000732562516 1073431151 /nfs/dbraw/zinc/43/11/51/1073431151.db2.gz DQVZZJLPDGWFAY-UHFFFAOYSA-N 0 0 440.510 -0.151 20 30 IBEDRN CCOCCn1c(=O)c(=Cc2cnn(CC)c2)sc1=C(C#N)C(=O)N[C@@H](C)COC ZINC000732562528 1073431057 /nfs/dbraw/zinc/43/10/57/1073431057.db2.gz FIILJKQYHUYLOB-AWEZNQCLSA-N 0 0 433.534 -0.183 20 30 IBEDRN CCOCCn1c(=O)c(=Cc2cnn(CC)c2)sc1=C(C#N)C(=O)N[C@H](C)COC ZINC000732562529 1073431021 /nfs/dbraw/zinc/43/10/21/1073431021.db2.gz FIILJKQYHUYLOB-CQSZACIVSA-N 0 0 433.534 -0.183 20 30 IBEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(CC)c2)c(=O)n1CCCC(=O)OC ZINC000732562530 1073431102 /nfs/dbraw/zinc/43/11/02/1073431102.db2.gz FIYFFOVFKDVQPD-UHFFFAOYSA-N 0 0 429.502 -0.115 20 30 IBEDRN CCn1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccc(C(N)=O)cc3)c2=O)cn1 ZINC000732562678 1073431004 /nfs/dbraw/zinc/43/10/04/1073431004.db2.gz HJTSKPPCHBXLCS-UHFFFAOYSA-N 0 0 448.508 -0.004 20 30 IBEDRN CCn1cc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(CC)c2=O)cn1 ZINC000732562794 1073431175 /nfs/dbraw/zinc/43/11/75/1073431175.db2.gz JVBRQIDJWSEQHN-UHFFFAOYSA-N 0 0 430.534 -0.902 20 30 IBEDRN CCn1cc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(CC(=O)N(C)C)c2=O)cn1 ZINC000732562815 1073431141 /nfs/dbraw/zinc/43/11/41/1073431141.db2.gz KFJJKCHWVUWJPL-UHFFFAOYSA-N 0 0 442.545 -0.224 20 30 IBEDRN CCn1cc(C=c2sc(=C(C#N)C(=O)NCCOC)n(-c3cnn(CC)c3)c2=O)cn1 ZINC000732563067 1073430682 /nfs/dbraw/zinc/43/06/82/1073430682.db2.gz QLMIAFYLYUNMEG-UHFFFAOYSA-N 0 0 441.517 -0.403 20 30 IBEDRN CCn1cc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CC(=O)N(C)C)c2=O)cn1 ZINC000732563329 1073430786 /nfs/dbraw/zinc/43/07/86/1073430786.db2.gz UXBBWYXHIJDFFN-UHFFFAOYSA-N 0 0 430.534 -0.510 20 30 IBEDRN CCn1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCCC(=O)OC)c2=O)cn1 ZINC000732563384 1073430748 /nfs/dbraw/zinc/43/07/48/1073430748.db2.gz WMEPEXZLGDMILW-UHFFFAOYSA-N 0 0 429.502 -0.139 20 30 IBEDRN CCn1cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CC(=O)N(C)C)c2=O)cn1 ZINC000732563390 1073430695 /nfs/dbraw/zinc/43/06/95/1073430695.db2.gz WWHSUAAZIFBGEK-UHFFFAOYSA-N 0 0 428.518 -0.660 20 30 IBEDRN CCn1cc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C3CC3)c2=O)cn1 ZINC000732563433 1073431129 /nfs/dbraw/zinc/43/11/29/1073431129.db2.gz ZDFLUOJFLAUBQS-UHFFFAOYSA-N 0 0 442.545 -0.587 20 30 IBEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(CC)c2)c(=O)n1CCS(C)(=O)=O ZINC000732563810 1073431190 /nfs/dbraw/zinc/43/11/90/1073431190.db2.gz DSMGCMZUMJHARF-UHFFFAOYSA-N 0 0 437.547 -0.800 20 30 IBEDRN CCn1cc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CCNS(C)(=O)=O)c2=O)cn1 ZINC000732563880 1073431160 /nfs/dbraw/zinc/43/11/60/1073431160.db2.gz GIJXYOHZPZXFJN-UHFFFAOYSA-N 0 0 437.547 -0.596 20 30 IBEDRN CCn1cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CCS(C)(=O)=O)c2=O)cn1 ZINC000732564046 1073431236 /nfs/dbraw/zinc/43/12/36/1073431236.db2.gz GWEPXCBIQOBCDP-UHFFFAOYSA-N 0 0 449.558 -0.704 20 30 IBEDRN CCn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCNS(C)(=O)=O)c2=O)cn1 ZINC000732564952 1073431292 /nfs/dbraw/zinc/43/12/92/1073431292.db2.gz UWFDGMMHDALQIC-UHFFFAOYSA-N 0 0 449.558 -0.452 20 30 IBEDRN CCn1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CCS(C)(=O)=O)c2=O)cn1 ZINC000732565155 1073431042 /nfs/dbraw/zinc/43/10/42/1073431042.db2.gz YLVJNTZOVMHVMM-UHFFFAOYSA-N 0 0 437.547 -0.802 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)NCC2CCN(S(=O)(=O)C(F)(F)F)CC2)C1=O ZINC000732641981 1073432673 /nfs/dbraw/zinc/43/26/73/1073432673.db2.gz YXZTXIIDNBBOHU-UHFFFAOYSA-N 0 0 440.400 -0.359 20 30 IBEDRN N#C[C@H]1CN(C(=O)COCCOCC(=O)N2CCN(C3CC3)[C@H](C#N)C2)CCN1C1CC1 ZINC000732648307 1073432766 /nfs/dbraw/zinc/43/27/66/1073432766.db2.gz CXEHEPRWIJMIRV-BGYRXZFFSA-N 0 0 444.536 -0.583 20 30 IBEDRN N#C[C@H]1CN(C(=O)COCCOCC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CCN1C1CC1 ZINC000732648308 1073432791 /nfs/dbraw/zinc/43/27/91/1073432791.db2.gz CXEHEPRWIJMIRV-PMACEKPBSA-N 0 0 444.536 -0.583 20 30 IBEDRN N#C[C@@H]1CN(C(=O)COCCOCC(=O)N2CCN(C3CC3)[C@H](C#N)C2)CCN1C1CC1 ZINC000732648309 1073432852 /nfs/dbraw/zinc/43/28/52/1073432852.db2.gz CXEHEPRWIJMIRV-WOJBJXKFSA-N 0 0 444.536 -0.583 20 30 IBEDRN CCOCCn1c(=O)c(=Cc2cnn(C)c2)sc1=C(C#N)C(=O)N1CCSCC1 ZINC000732663315 1073433291 /nfs/dbraw/zinc/43/32/91/1073433291.db2.gz QWFZETHJMTZPEA-UHFFFAOYSA-N 0 0 433.559 -0.242 20 30 IBEDRN COCCn1c(=O)c(=Cc2c(C)nn(C)c2C)sc1=C(C#N)C(=O)N1CCSCC1 ZINC000732663346 1073433321 /nfs/dbraw/zinc/43/33/21/1073433321.db2.gz UMAYSBDFKTZLNJ-UHFFFAOYSA-N 0 0 447.586 -0.015 20 30 IBEDRN Cn1cc(C=c2sc(=C(C#N)C(=O)N3CCSCC3)n(C[C@@H]3CCCO3)c2=O)cn1 ZINC000732663926 1073433401 /nfs/dbraw/zinc/43/34/01/1073433401.db2.gz HOQAUQKQXOWRRM-HNNXBMFYSA-N 0 0 445.570 -0.099 20 30 IBEDRN Cn1cc(C=c2sc(=C(C#N)C(=O)N3CCSCC3)n(C[C@H]3CCCO3)c2=O)cn1 ZINC000732663927 1073433356 /nfs/dbraw/zinc/43/33/56/1073433356.db2.gz HOQAUQKQXOWRRM-OAHLLOKOSA-N 0 0 445.570 -0.099 20 30 IBEDRN CCn1cc(C=c2sc(=C(C#N)C(=O)N3CCSCC3)n(CCOC)c2=O)cn1 ZINC000732665080 1073433274 /nfs/dbraw/zinc/43/32/74/1073433274.db2.gz WWWLOLKWNUDIIB-UHFFFAOYSA-N 0 0 433.559 -0.149 20 30 IBEDRN N#C[C@@H]1CN(C(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)CCN1C1CC1 ZINC000732673840 1073434191 /nfs/dbraw/zinc/43/41/91/1073434191.db2.gz HFLFQJQKJNGKHK-GOSISDBHSA-N 0 0 447.565 -0.085 20 30 IBEDRN N#C[C@H]1CN(C(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)CCN1C1CC1 ZINC000732673841 1073434102 /nfs/dbraw/zinc/43/41/02/1073434102.db2.gz HFLFQJQKJNGKHK-SFHVURJKSA-N 0 0 447.565 -0.085 20 30 IBEDRN N#C[C@H]1CN(C(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)CCN1C1CC1 ZINC000732706101 1073434665 /nfs/dbraw/zinc/43/46/65/1073434665.db2.gz FIVFUDFVGOMWNR-KRWDZBQOSA-N 0 0 447.517 -0.155 20 30 IBEDRN N#C[C@@H]1CN(C(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)CCN1C1CC1 ZINC000732706102 1073434690 /nfs/dbraw/zinc/43/46/90/1073434690.db2.gz FIVFUDFVGOMWNR-QGZVFWFLSA-N 0 0 447.517 -0.155 20 30 IBEDRN COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1 ZINC000732706889 1073434659 /nfs/dbraw/zinc/43/46/59/1073434659.db2.gz RGICHRPAHRQQPZ-KRWDZBQOSA-N 0 0 427.461 -0.344 20 30 IBEDRN COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1 ZINC000732706892 1073434577 /nfs/dbraw/zinc/43/45/77/1073434577.db2.gz RGICHRPAHRQQPZ-QGZVFWFLSA-N 0 0 427.461 -0.344 20 30 IBEDRN N#C[C@H]1CN(C(=O)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)CCN1C1CC1 ZINC000732708823 1073434611 /nfs/dbraw/zinc/43/46/11/1073434611.db2.gz UXKDPLQURUYKAG-KRWDZBQOSA-N 0 0 447.517 -0.155 20 30 IBEDRN N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)CCN1C1CC1 ZINC000732708824 1073434624 /nfs/dbraw/zinc/43/46/24/1073434624.db2.gz UXKDPLQURUYKAG-QGZVFWFLSA-N 0 0 447.517 -0.155 20 30 IBEDRN CC(C)n1cc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C)c2=O)cn1 ZINC000732795296 1073435130 /nfs/dbraw/zinc/43/51/30/1073435130.db2.gz AOKICEPYQWFGCA-UHFFFAOYSA-N 0 0 430.534 -0.824 20 30 IBEDRN CC(C)Cn1c(=O)c(=Cc2ccoc2)sc1=C(C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000732795387 1073435199 /nfs/dbraw/zinc/43/51/99/1073435199.db2.gz FDYLTYSCBXCDRR-UHFFFAOYSA-N 0 0 435.527 -0.081 20 30 IBEDRN COCCn1c(=O)c(=Cc2cnn(C(C)C)c2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000732795423 1073435181 /nfs/dbraw/zinc/43/51/81/1073435181.db2.gz GTBIMQNMIZGOPD-UHFFFAOYSA-N 0 0 431.518 -0.305 20 30 IBEDRN CC(C)Cn1c(=O)c(=Cc2cnn(C)c2)sc1=C(C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000732795469 1073435115 /nfs/dbraw/zinc/43/51/15/1073435115.db2.gz IVUWAFNGAJTUFO-UHFFFAOYSA-N 0 0 449.558 -0.941 20 30 IBEDRN C=CCn1c(=O)c(=Cc2cnn(CC)c2)sc1=C(C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000732795474 1073435191 /nfs/dbraw/zinc/43/51/91/1073435191.db2.gz JEFGNHJWOOFSMQ-UHFFFAOYSA-N 0 0 447.542 -0.928 20 30 IBEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)C)c2)c(=O)n1CCOC ZINC000732795621 1073435303 /nfs/dbraw/zinc/43/53/03/1073435303.db2.gz PSLRXTGZRBBWKJ-UHFFFAOYSA-N 0 0 433.534 -0.011 20 30 IBEDRN CNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)C)c2)c(=O)n1CCN1CCOCC1 ZINC000732795685 1073435236 /nfs/dbraw/zinc/43/52/36/1073435236.db2.gz SKHPQFADVAIVAT-UHFFFAOYSA-N 0 0 430.534 -0.732 20 30 IBEDRN COCCn1c(=O)c(=Cc2cnn(C(C)C)c2)sc1=C(C#N)C(=O)N[C@@H](C)COC ZINC000732795692 1073435248 /nfs/dbraw/zinc/43/52/48/1073435248.db2.gz SYTAREXOWNELDF-AWEZNQCLSA-N 0 0 433.534 -0.012 20 30 IBEDRN COCCn1c(=O)c(=Cc2cnn(C(C)C)c2)sc1=C(C#N)C(=O)N[C@H](C)COC ZINC000732795693 1073435171 /nfs/dbraw/zinc/43/51/71/1073435171.db2.gz SYTAREXOWNELDF-CQSZACIVSA-N 0 0 433.534 -0.012 20 30 IBEDRN Cn1c(=O)c(=Cc2cnn(C(C)(C)C)c2)sc1=C(C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000732795724 1073435228 /nfs/dbraw/zinc/43/52/28/1073435228.db2.gz VAPLIAMXALIVCB-UHFFFAOYSA-N 0 0 449.558 -0.842 20 30 IBEDRN COCCn1c(=O)c(=Cc2ccccc2)sc1=C(C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000732795746 1073435221 /nfs/dbraw/zinc/43/52/21/1073435221.db2.gz WGJDHPUSVMSQIU-UHFFFAOYSA-N 0 0 447.538 -0.684 20 30 IBEDRN CCCn1c(=O)c(=Cc2cnn(CC)c2)sc1=C(C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000732795748 1073435267 /nfs/dbraw/zinc/43/52/67/1073435267.db2.gz WIBHFRFCHOAOQQ-UHFFFAOYSA-N 0 0 449.558 -0.704 20 30 IBEDRN CCn1c(=O)c(=Cc2cnn(C(C)C)c2)sc1=C(C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000732796346 1073435160 /nfs/dbraw/zinc/43/51/60/1073435160.db2.gz CFJHYZOACSVKHZ-UHFFFAOYSA-N 0 0 449.558 -0.533 20 30 IBEDRN CC(C)n1cc(C=c2sc(=C(C#N)C(=O)N3CCSCC3)n(CC(N)=O)c2=O)cn1 ZINC000732796367 1073435210 /nfs/dbraw/zinc/43/52/10/1073435210.db2.gz CXOGHKBTWVWRSV-UHFFFAOYSA-N 0 0 446.558 -0.749 20 30 IBEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)C)c2)c(=O)n1CC(=O)N(C)C ZINC000732796403 1073435145 /nfs/dbraw/zinc/43/51/45/1073435145.db2.gz DYRZPHPBQHSSCP-UHFFFAOYSA-N 0 0 430.534 -0.195 20 30 IBEDRN CCn1cc(C=c2sc(=C(C#N)C(=O)N(C)c3ccccc3)n(CC(N)=O)c2=O)cn1 ZINC000732796584 1073435290 /nfs/dbraw/zinc/43/52/90/1073435290.db2.gz HBEMOXJYEIEFGH-UHFFFAOYSA-N 0 0 436.497 -0.222 20 30 IBEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)C)c2)c(=O)n1CC(N)=O ZINC000732796724 1073435941 /nfs/dbraw/zinc/43/59/41/1073435941.db2.gz HCZUIOFMZOPZAU-UHFFFAOYSA-N 0 0 446.533 -0.782 20 30 IBEDRN CC(C)n1cc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(CC(N)=O)c2=O)cn1 ZINC000732796773 1073435874 /nfs/dbraw/zinc/43/58/74/1073435874.db2.gz HZGLAEADDJBYAO-UHFFFAOYSA-N 0 0 428.518 -0.266 20 30 IBEDRN CC(C)n1cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CC(=O)N(C)C)c2=O)cn1 ZINC000732797091 1073435907 /nfs/dbraw/zinc/43/59/07/1073435907.db2.gz LVXMVRVNRVIPFF-UHFFFAOYSA-N 0 0 442.545 -0.099 20 30 IBEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)C)c2)c(=O)n1CC(=O)N(C)C ZINC000732797132 1073435915 /nfs/dbraw/zinc/43/59/15/1073435915.db2.gz MKUPIZPZCVUKQS-UHFFFAOYSA-N 0 0 430.534 -0.197 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)C)c2)c(=O)n1CC(=O)N(C)C ZINC000732797137 1073435277 /nfs/dbraw/zinc/43/52/77/1073435277.db2.gz MMJZJFZJJNPELN-UHFFFAOYSA-N 0 0 446.533 -0.959 20 30 IBEDRN CCn1cc(C=c2sc(=C(C#N)C(=O)N3CCS(=O)(=O)CC3)n(C3CC3)c2=O)cn1 ZINC000732797227 1073435757 /nfs/dbraw/zinc/43/57/57/1073435757.db2.gz NRRIDQULZJBCIM-UHFFFAOYSA-N 0 0 447.542 -0.779 20 30 IBEDRN CCn1c(=O)c(=Cc2cnn(C(C)C)c2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000732797588 1073435313 /nfs/dbraw/zinc/43/53/13/1073435313.db2.gz SBEINZSDTAHXSH-UHFFFAOYSA-N 0 0 444.561 -0.341 20 30 IBEDRN CCOCCn1c(=O)c(=Cc2cnn(C(C)C)c2)sc1=C(C#N)C(=O)NCCOC ZINC000732797608 1073435097 /nfs/dbraw/zinc/43/50/97/1073435097.db2.gz SJJSBWHPIALURC-UHFFFAOYSA-N 0 0 433.534 -0.011 20 30 IBEDRN CC(C)n1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CC(=O)N(C)C)c2=O)cn1 ZINC000732797972 1073435771 /nfs/dbraw/zinc/43/57/71/1073435771.db2.gz UJNXIEPGGHPDMP-UHFFFAOYSA-N 0 0 428.518 -0.443 20 30 IBEDRN CC(C)n1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCS(C)(=O)=O)c2=O)cn1 ZINC000732798003 1073435816 /nfs/dbraw/zinc/43/58/16/1073435816.db2.gz VGPGABQJBNLPHJ-UHFFFAOYSA-N 0 0 449.558 -0.487 20 30 IBEDRN CCCCn1c(=O)c(=Cc2cnn(C)c2)sc1=C(C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000732798014 1073435840 /nfs/dbraw/zinc/43/58/40/1073435840.db2.gz VPCJFSRPYUASTG-UHFFFAOYSA-N 0 0 449.558 -0.797 20 30 IBEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)C)c2)c(=O)n1CC(=O)N(C)C ZINC000732798476 1073435803 /nfs/dbraw/zinc/43/58/03/1073435803.db2.gz YLFWUMHRSWLBAN-UHFFFAOYSA-N 0 0 428.518 -0.419 20 30 IBEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)C)c2)c(=O)n1CCS(C)(=O)=O ZINC000732798501 1073435919 /nfs/dbraw/zinc/43/59/19/1073435919.db2.gz YWXCLIXQUOQIRO-UHFFFAOYSA-N 0 0 449.558 -0.463 20 30 IBEDRN N#C[C@H](C(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)C(=O)N1CCS(=O)(=O)CC1 ZINC000732907567 1073437103 /nfs/dbraw/zinc/43/71/03/1073437103.db2.gz BEQAWYJICUKSPN-DZGCQCFKSA-N 0 0 447.469 -0.223 20 30 IBEDRN N#C[C@@H](C(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)C(=O)N1CCS(=O)(=O)CC1 ZINC000732907578 1073437853 /nfs/dbraw/zinc/43/78/53/1073437853.db2.gz BEQAWYJICUKSPN-HIFRSBDPSA-N 0 0 447.469 -0.223 20 30 IBEDRN N#C[C@H](C(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)C(=O)N1CCS(=O)(=O)CC1 ZINC000732907580 1073437864 /nfs/dbraw/zinc/43/78/64/1073437864.db2.gz BEQAWYJICUKSPN-UKRRQHHQSA-N 0 0 447.469 -0.223 20 30 IBEDRN N#C[C@@H](C(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)C(=O)N1CCS(=O)(=O)CC1 ZINC000732907582 1073437820 /nfs/dbraw/zinc/43/78/20/1073437820.db2.gz BEQAWYJICUKSPN-ZFWWWQNUSA-N 0 0 447.469 -0.223 20 30 IBEDRN N#C[C@H](C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)C(=O)N1CCS(=O)(=O)CC1 ZINC000732907804 1073437868 /nfs/dbraw/zinc/43/78/68/1073437868.db2.gz DIWCFYDTTBPBQC-GFCCVEGCSA-N 0 0 436.402 -0.714 20 30 IBEDRN N#C[C@@H](C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)C(=O)N1CCS(=O)(=O)CC1 ZINC000732907814 1073437829 /nfs/dbraw/zinc/43/78/29/1073437829.db2.gz DIWCFYDTTBPBQC-LBPRGKRZSA-N 0 0 436.402 -0.714 20 30 IBEDRN CCC1CCC2(CC1)NC(=O)N(CC(=O)[C@H](C#N)C(=O)N1CCS(=O)(=O)CC1)C2=O ZINC000732908938 1073437701 /nfs/dbraw/zinc/43/77/01/1073437701.db2.gz USHVYBQUBUAIJD-BIWSTMPVSA-N 0 0 438.506 -0.157 20 30 IBEDRN CCC1CCC2(CC1)NC(=O)N(CC(=O)[C@@H](C#N)C(=O)N1CCS(=O)(=O)CC1)C2=O ZINC000732908940 1073437757 /nfs/dbraw/zinc/43/77/57/1073437757.db2.gz USHVYBQUBUAIJD-SHYRYGCCSA-N 0 0 438.506 -0.157 20 30 IBEDRN N#C[C@@H](C(=O)C1=NN(c2ccc(F)cc2)[C@@H](C(N)=O)C1)C(=O)N1CCS(=O)(=O)CC1 ZINC000732909462 1073437883 /nfs/dbraw/zinc/43/78/83/1073437883.db2.gz ARWXHSHISQTMQU-DZGCQCFKSA-N 0 0 435.437 -0.788 20 30 IBEDRN N#C[C@H](C(=O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1)C(=O)N1CCS(=O)(=O)CC1 ZINC000732909463 1073437789 /nfs/dbraw/zinc/43/77/89/1073437789.db2.gz ARWXHSHISQTMQU-HIFRSBDPSA-N 0 0 435.437 -0.788 20 30 IBEDRN N#C[C@H](C(=O)C1=NN(c2ccc(F)cc2)[C@@H](C(N)=O)C1)C(=O)N1CCS(=O)(=O)CC1 ZINC000732909464 1073437842 /nfs/dbraw/zinc/43/78/42/1073437842.db2.gz ARWXHSHISQTMQU-UKRRQHHQSA-N 0 0 435.437 -0.788 20 30 IBEDRN N#C[C@@H](C(=O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1)C(=O)N1CCS(=O)(=O)CC1 ZINC000732909465 1073437776 /nfs/dbraw/zinc/43/77/76/1073437776.db2.gz ARWXHSHISQTMQU-ZFWWWQNUSA-N 0 0 435.437 -0.788 20 30 IBEDRN N#C[C@H](C(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)C(=O)N1CCS(=O)(=O)CC1 ZINC000732909667 1073437874 /nfs/dbraw/zinc/43/78/74/1073437874.db2.gz DYYZAZVUEGMVRF-JLTOFOAXSA-N 0 0 444.469 -0.654 20 30 IBEDRN N#C[C@@H](C(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)C(=O)N1CCS(=O)(=O)CC1 ZINC000732909668 1073437836 /nfs/dbraw/zinc/43/78/36/1073437836.db2.gz DYYZAZVUEGMVRF-VBKZILBWSA-N 0 0 444.469 -0.654 20 30 IBEDRN N#C[C@H](C(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)C(=O)N1CCS(=O)(=O)CC1 ZINC000732909669 1073437745 /nfs/dbraw/zinc/43/77/45/1073437745.db2.gz DYYZAZVUEGMVRF-VLIAUNLRSA-N 0 0 444.469 -0.654 20 30 IBEDRN N#C[C@@H](C(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)C(=O)N1CCS(=O)(=O)CC1 ZINC000732909670 1073437766 /nfs/dbraw/zinc/43/77/66/1073437766.db2.gz DYYZAZVUEGMVRF-XOBRGWDASA-N 0 0 444.469 -0.654 20 30 IBEDRN CCn1c(=O)c2ccccc2n(CC(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)c1=O ZINC000732909793 1073437812 /nfs/dbraw/zinc/43/78/12/1073437812.db2.gz FWPFFXCLSQZDOU-AWEZNQCLSA-N 0 0 432.458 -0.851 20 30 IBEDRN CCn1c(=O)c2ccccc2n(CC(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)c1=O ZINC000732909794 1073438422 /nfs/dbraw/zinc/43/84/22/1073438422.db2.gz FWPFFXCLSQZDOU-CQSZACIVSA-N 0 0 432.458 -0.851 20 30 IBEDRN N#C[C@@H](C(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O)C(=O)N1CCS(=O)(=O)CC1 ZINC000732910628 1073438619 /nfs/dbraw/zinc/43/86/19/1073438619.db2.gz SPPKPDJBUVGNGH-INIZCTEOSA-N 0 0 444.469 -0.976 20 30 IBEDRN N#C[C@H](C(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O)C(=O)N1CCS(=O)(=O)CC1 ZINC000732910629 1073438398 /nfs/dbraw/zinc/43/83/98/1073438398.db2.gz SPPKPDJBUVGNGH-MRXNPFEDSA-N 0 0 444.469 -0.976 20 30 IBEDRN Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)[C@@H](C#N)C(=O)N3CCS(=O)(=O)CC3)C2=O)cc1 ZINC000732911165 1073438632 /nfs/dbraw/zinc/43/86/32/1073438632.db2.gz XMBVNPXOYQROCO-FOIQADDNSA-N 0 0 446.485 -0.272 20 30 IBEDRN Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)[C@H](C#N)C(=O)N3CCS(=O)(=O)CC3)C2=O)cc1 ZINC000732911166 1073438526 /nfs/dbraw/zinc/43/85/26/1073438526.db2.gz XMBVNPXOYQROCO-MGPUTAFESA-N 0 0 446.485 -0.272 20 30 IBEDRN Cc1ccc([C@]2(C)NC(=O)N(CC(=O)[C@@H](C#N)C(=O)N3CCS(=O)(=O)CC3)C2=O)cc1 ZINC000732911169 1073438518 /nfs/dbraw/zinc/43/85/18/1073438518.db2.gz XMBVNPXOYQROCO-QRWLVFNGSA-N 0 0 446.485 -0.272 20 30 IBEDRN Cc1ccc([C@]2(C)NC(=O)N(CC(=O)[C@H](C#N)C(=O)N3CCS(=O)(=O)CC3)C2=O)cc1 ZINC000732911170 1073438454 /nfs/dbraw/zinc/43/84/54/1073438454.db2.gz XMBVNPXOYQROCO-YWZLYKJASA-N 0 0 446.485 -0.272 20 30 IBEDRN C#CCNC(=O)C1CCN(C(=O)NCc2ccccc2S(=O)(=O)N(C)CCO)CC1 ZINC000733041527 1073441635 /nfs/dbraw/zinc/44/16/35/1073441635.db2.gz XOXREIQKJNICLO-UHFFFAOYSA-N 0 0 436.534 -0.030 20 30 IBEDRN C#CCNC(=O)CN1CCCN(C(=O)c2cc(S(=O)(=O)N(CC)CC)cn2C)CC1 ZINC000733148523 1073442196 /nfs/dbraw/zinc/44/21/96/1073442196.db2.gz CBKNMMFGESZDQK-UHFFFAOYSA-N 0 0 437.566 -0.047 20 30 IBEDRN C#CCNC(=O)CN1CCCN(C(=O)C2=NN(c3ccc(F)cc3)[C@@H](C(N)=O)C2)CC1 ZINC000733148743 1073442429 /nfs/dbraw/zinc/44/24/29/1073442429.db2.gz KFQXZJUZZNDDCM-GOSISDBHSA-N 0 0 428.468 -0.471 20 30 IBEDRN C#CCNC(=O)CN1CCCN(C(=O)C2=NN(c3ccc(F)cc3)[C@H](C(N)=O)C2)CC1 ZINC000733148744 1073442323 /nfs/dbraw/zinc/44/23/23/1073442323.db2.gz KFQXZJUZZNDDCM-SFHVURJKSA-N 0 0 428.468 -0.471 20 30 IBEDRN C#CCNC(=O)CN1CCCN(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)CC1 ZINC000733148915 1073442343 /nfs/dbraw/zinc/44/23/43/1073442343.db2.gz OBUWMUJPJSMUCT-UHFFFAOYSA-N 0 0 438.506 -0.802 20 30 IBEDRN C#CCNC(=O)CN1CCCN(C(=O)CCS(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000733148958 1073442370 /nfs/dbraw/zinc/44/23/70/1073442370.db2.gz RDPGSPHSFPTMDR-UHFFFAOYSA-N 0 0 449.529 -0.095 20 30 IBEDRN C#CCNC(=O)CN1CCCN(C(=O)Cc2cc(F)c(OC)c(S(N)(=O)=O)c2)CC1 ZINC000733149031 1073442139 /nfs/dbraw/zinc/44/21/39/1073442139.db2.gz VRWLRPRYNNHGTQ-UHFFFAOYSA-N 0 0 440.497 -0.692 20 30 IBEDRN C#CCNC(=O)CN1CCCN(C(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)CC1 ZINC000733149032 1073442172 /nfs/dbraw/zinc/44/21/72/1073442172.db2.gz VUXSDEWARBPALV-UHFFFAOYSA-N 0 0 437.500 -0.658 20 30 IBEDRN C#CCNC(=O)CN1CCCN(C(=O)c2cc(C3CC3)nc3c2c(=O)[nH]c(=O)n3C)CC1 ZINC000733149279 1073442950 /nfs/dbraw/zinc/44/29/50/1073442950.db2.gz DIGNQGVUAMCRSM-UHFFFAOYSA-N 0 0 438.488 -0.191 20 30 IBEDRN C#CCNC(=O)CN1CCCN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000733149503 1073442287 /nfs/dbraw/zinc/44/22/87/1073442287.db2.gz HZQDVJHTMZMTDO-UHFFFAOYSA-N 0 0 430.465 -0.322 20 30 IBEDRN C#CCNC(=O)CN1CCCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC000733149514 1073442920 /nfs/dbraw/zinc/44/29/20/1073442920.db2.gz IHHLNNFRXRLXNH-UHFFFAOYSA-N 0 0 445.545 -0.211 20 30 IBEDRN C#CCNC(=O)CN1CCCN(C(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)CC1 ZINC000733149541 1073443154 /nfs/dbraw/zinc/44/31/54/1073443154.db2.gz JOSYCLYPJPDVJM-UHFFFAOYSA-N 0 0 447.561 -0.234 20 30 IBEDRN C#CCNC(=O)CN1CCCN(C(=O)c2cc(-c3ccco3)nc3c(C(N)=O)ncn32)CC1 ZINC000733149558 1073443144 /nfs/dbraw/zinc/44/31/44/1073443144.db2.gz KJBMVJBINXLSRV-UHFFFAOYSA-N 0 0 449.471 -0.015 20 30 IBEDRN C#CCNC(=O)CN1CCCN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 ZINC000733149716 1073442090 /nfs/dbraw/zinc/44/20/90/1073442090.db2.gz PHFGUJRJBRZSBO-UHFFFAOYSA-N 0 0 427.417 -0.526 20 30 IBEDRN C#CCNC(=O)CN1CCCN(C(=O)CNS(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000733149733 1073442410 /nfs/dbraw/zinc/44/24/10/1073442410.db2.gz PREZERJNYGJSHO-UHFFFAOYSA-N 0 0 432.955 -0.037 20 30 IBEDRN C#CCNC(=O)CN1CCCN(C(=O)Cn2c3ccccc3c(=O)n(CC)c2=O)CC1 ZINC000733149743 1073442453 /nfs/dbraw/zinc/44/24/53/1073442453.db2.gz PVAQRBJBYQHNMG-UHFFFAOYSA-N 0 0 425.489 -0.533 20 30 IBEDRN C#CCNC(=O)CN1CCCN(C(=O)CN2C(=O)Cn3c(cc4ccccc43)C2=O)CC1 ZINC000733149779 1073442379 /nfs/dbraw/zinc/44/23/79/1073442379.db2.gz QROYVFBBPVYDFO-UHFFFAOYSA-N 0 0 435.484 -0.093 20 30 IBEDRN C#CCNC(=O)CN1CCCN(C(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)CC1 ZINC000733150110 1073443079 /nfs/dbraw/zinc/44/30/79/1073443079.db2.gz BGYGCBJLDXIAOS-UHFFFAOYSA-N 0 0 442.488 -0.083 20 30 IBEDRN C#CCNC(=O)CN1CCCN(C(=O)c2cccc(CN3CCS(=O)(=O)CC3)c2)CC1 ZINC000733150258 1073443115 /nfs/dbraw/zinc/44/31/15/1073443115.db2.gz FROYKFSNOORXQK-UHFFFAOYSA-N 0 0 446.573 -0.186 20 30 IBEDRN C#CCNC(=O)CN1CCCN(C(=O)c2ccc(CCNS(C)(=O)=O)s2)CC1 ZINC000733150476 1073443253 /nfs/dbraw/zinc/44/32/53/1073443253.db2.gz KPMKCSQSYCJDOE-UHFFFAOYSA-N 0 0 426.564 -0.263 20 30 IBEDRN C#CCNC(=O)CN1CCCN(C(=O)CN2C(=O)N[C@](C)(c3ccccc3)C2=O)CC1 ZINC000733150611 1073443258 /nfs/dbraw/zinc/44/32/58/1073443258.db2.gz QAOQCKCEQWCJQL-JOCHJYFZSA-N 0 0 425.489 -0.263 20 30 IBEDRN C#CCNC(=O)CN1CCCN(C(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)CC1 ZINC000733150612 1073443266 /nfs/dbraw/zinc/44/32/66/1073443266.db2.gz QAOQCKCEQWCJQL-QFIPXVFZSA-N 0 0 425.489 -0.263 20 30 IBEDRN C#CCNC(=O)CN1CCCN(C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)CC1 ZINC000733150645 1073443044 /nfs/dbraw/zinc/44/30/44/1073443044.db2.gz RSRSDYKDNGADNK-UHFFFAOYSA-N 0 0 431.518 -0.306 20 30 IBEDRN C#CCNC(=O)CN1CCCN(C(=O)c2ccc3c(c2)S(=O)(=O)N(CC)C3=O)CC1 ZINC000733150812 1073443030 /nfs/dbraw/zinc/44/30/30/1073443030.db2.gz WOLBDSQWDDLOJZ-UHFFFAOYSA-N 0 0 432.502 -0.252 20 30 IBEDRN C#CCN1CCN(C(=O)CCC(=O)N(CCOC)c2c(N)n(CCC)c(=O)[nH]c2=O)CC1 ZINC000733160920 1073443175 /nfs/dbraw/zinc/44/31/75/1073443175.db2.gz HCWXXYROXKKXHC-UHFFFAOYSA-N 0 0 448.524 -0.522 20 30 IBEDRN C#CCN1CCN(C(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccccc2)CC1 ZINC000733161404 1073443138 /nfs/dbraw/zinc/44/31/38/1073443138.db2.gz PNNYTVDGDJGRAT-KRWDZBQOSA-N 0 0 427.548 -0.454 20 30 IBEDRN C#CCN1CCN(C(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccccc2)CC1 ZINC000733161409 1073442989 /nfs/dbraw/zinc/44/29/89/1073442989.db2.gz PNNYTVDGDJGRAT-QGZVFWFLSA-N 0 0 427.548 -0.454 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)CCNS(=O)(=O)c2ccc(NC(C)=O)cc2)CC1 ZINC000733362214 1073445843 /nfs/dbraw/zinc/44/58/43/1073445843.db2.gz IUDNKEMYHMFUIH-UHFFFAOYSA-N 0 0 449.533 -0.793 20 30 IBEDRN C#CCNC(=O)CN1CCCN(C(=O)CNS(=O)(=O)c2ccc(C(C)=O)cc2)CC1 ZINC000733364220 1073446519 /nfs/dbraw/zinc/44/65/19/1073446519.db2.gz AQNFPCBGEFZUOT-UHFFFAOYSA-N 0 0 434.518 -0.549 20 30 IBEDRN C#CCNC(=O)CN1CCCN(C(=O)CCNS(=O)(=O)c2cccc(C(C)=O)c2)CC1 ZINC000733364320 1073446339 /nfs/dbraw/zinc/44/63/39/1073446339.db2.gz GJTYALVBCYCCAP-UHFFFAOYSA-N 0 0 448.545 -0.159 20 30 IBEDRN C#CCNC(=O)CN1CCCN(C(=O)CNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000733364836 1073446570 /nfs/dbraw/zinc/44/65/70/1073446570.db2.gz PSVORGLOKAONOM-UHFFFAOYSA-N 0 0 431.449 -0.383 20 30 IBEDRN CN(C)CCN(C(=O)C/N=C1/NS(=O)(=O)c2ccccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000733367877 1073446414 /nfs/dbraw/zinc/44/64/14/1073446414.db2.gz LEBXLZZHALTAOI-CYBMUJFWSA-N 0 0 428.536 -0.698 20 30 IBEDRN CN(C)CCN(C(=O)C/N=C1/NS(=O)(=O)c2ccccc21)[C@H]1CCS(=O)(=O)C1 ZINC000733367879 1073446650 /nfs/dbraw/zinc/44/66/50/1073446650.db2.gz LEBXLZZHALTAOI-ZDUSSCGKSA-N 0 0 428.536 -0.698 20 30 IBEDRN COCCCN(C(=O)C/N=C1/NS(=O)(=O)c2ccccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000733368863 1073446496 /nfs/dbraw/zinc/44/64/96/1073446496.db2.gz BUTITPREZOOXRK-CYBMUJFWSA-N 0 0 429.520 -0.223 20 30 IBEDRN COCCCN(C(=O)C/N=C1/NS(=O)(=O)c2ccccc21)[C@H]1CCS(=O)(=O)C1 ZINC000733368867 1073446591 /nfs/dbraw/zinc/44/65/91/1073446591.db2.gz BUTITPREZOOXRK-ZDUSSCGKSA-N 0 0 429.520 -0.223 20 30 IBEDRN Cn1cccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1=O ZINC000733506442 1073448354 /nfs/dbraw/zinc/44/83/54/1073448354.db2.gz NFBZLOAWNAFVSC-UHFFFAOYSA-N 0 0 444.469 -0.053 20 30 IBEDRN CN(CC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C(=O)C1CC1 ZINC000733517034 1073449349 /nfs/dbraw/zinc/44/93/49/1073449349.db2.gz KBSYXBIYMCXDGX-UHFFFAOYSA-N 0 0 448.501 -0.197 20 30 IBEDRN COC(=O)NCCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000733543671 1073449364 /nfs/dbraw/zinc/44/93/64/1073449364.db2.gz BIWYYSVOXUVJIF-UHFFFAOYSA-N 0 0 438.462 -0.320 20 30 IBEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)Cc3c(C)[nH]c4ccnn4c3=O)CC2)o1 ZINC000733547211 1073452533 /nfs/dbraw/zinc/45/25/33/1073452533.db2.gz PGHSDSDXIRHJBA-UHFFFAOYSA-N 0 0 439.432 -0.066 20 30 IBEDRN COCCCn1c(C)c(C)c(C#N)c1NC(=O)COC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC000733571796 1073451994 /nfs/dbraw/zinc/45/19/94/1073451994.db2.gz PPACQFUZXZHDCD-UHFFFAOYSA-N 0 0 433.421 -0.085 20 30 IBEDRN C[C@@H](CS(C)(=O)=O)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 ZINC000733674605 1073454135 /nfs/dbraw/zinc/45/41/35/1073454135.db2.gz WHVPMCOEKINGLR-BMOWLENRSA-N 0 0 444.535 -0.013 20 30 IBEDRN C[C@H](CS(C)(=O)=O)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 ZINC000733674607 1073454079 /nfs/dbraw/zinc/45/40/79/1073454079.db2.gz WHVPMCOEKINGLR-FTRNENOISA-N 0 0 444.535 -0.013 20 30 IBEDRN C[C@H](CS(C)(=O)=O)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 ZINC000733674608 1073454086 /nfs/dbraw/zinc/45/40/86/1073454086.db2.gz WHVPMCOEKINGLR-FWORZXNSSA-N 0 0 444.535 -0.013 20 30 IBEDRN C[C@@H](CS(C)(=O)=O)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 ZINC000733674609 1073454054 /nfs/dbraw/zinc/45/40/54/1073454054.db2.gz WHVPMCOEKINGLR-PQXWDWFGSA-N 0 0 444.535 -0.013 20 30 IBEDRN C[C@@H](CS(C)(=O)=O)NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 ZINC000733674870 1073453266 /nfs/dbraw/zinc/45/32/66/1073453266.db2.gz YKHFVOZYTSPCOK-BMOWLENRSA-N 0 0 444.535 -0.013 20 30 IBEDRN C[C@H](CS(C)(=O)=O)NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 ZINC000733674871 1073454007 /nfs/dbraw/zinc/45/40/07/1073454007.db2.gz YKHFVOZYTSPCOK-FTRNENOISA-N 0 0 444.535 -0.013 20 30 IBEDRN C[C@H](CS(C)(=O)=O)NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 ZINC000733674872 1073453894 /nfs/dbraw/zinc/45/38/94/1073453894.db2.gz YKHFVOZYTSPCOK-FWORZXNSSA-N 0 0 444.535 -0.013 20 30 IBEDRN C[C@@H](CS(C)(=O)=O)NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 ZINC000733674873 1073454021 /nfs/dbraw/zinc/45/40/21/1073454021.db2.gz YKHFVOZYTSPCOK-PQXWDWFGSA-N 0 0 444.535 -0.013 20 30 IBEDRN C#CCN(CC(=O)NN1C(=O)N[C@](C)(c2cccc(OC)c2)C1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000733795232 1073455336 /nfs/dbraw/zinc/45/53/36/1073455336.db2.gz WDIVHKSKKLDRKU-FOIQADDNSA-N 0 0 448.501 -0.384 20 30 IBEDRN C#CCN(CC(=O)NN1C(=O)N[C@](C)(c2cccc(OC)c2)C1=O)[C@H]1CCS(=O)(=O)C1 ZINC000733795241 1073455320 /nfs/dbraw/zinc/45/53/20/1073455320.db2.gz WDIVHKSKKLDRKU-MGPUTAFESA-N 0 0 448.501 -0.384 20 30 IBEDRN C#CCN(CC(=O)NN1C(=O)N[C@@](C)(c2cccc(OC)c2)C1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000733795243 1073455344 /nfs/dbraw/zinc/45/53/44/1073455344.db2.gz WDIVHKSKKLDRKU-QRWLVFNGSA-N 0 0 448.501 -0.384 20 30 IBEDRN C#CCN(CC(=O)NN1C(=O)N[C@@](C)(c2cccc(OC)c2)C1=O)[C@H]1CCS(=O)(=O)C1 ZINC000733795245 1073455437 /nfs/dbraw/zinc/45/54/37/1073455437.db2.gz WDIVHKSKKLDRKU-YWZLYKJASA-N 0 0 448.501 -0.384 20 30 IBEDRN C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(CC(=O)Nc3nncs3)CC2)cc1 ZINC000733877501 1073456838 /nfs/dbraw/zinc/45/68/38/1073456838.db2.gz VKQIYDBTKXUQON-UHFFFAOYSA-N 0 0 448.530 -0.154 20 30 IBEDRN C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(CC(=O)Nc3nncs3)CC2)c1 ZINC000733877508 1073456641 /nfs/dbraw/zinc/45/66/41/1073456641.db2.gz VRNIFEZWRXCXKE-UHFFFAOYSA-N 0 0 448.530 -0.154 20 30 IBEDRN O=C(CN1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1)Nc1nncs1 ZINC000733877600 1073455985 /nfs/dbraw/zinc/45/59/85/1073455985.db2.gz YVYPEHCNKPXHIC-UHFFFAOYSA-N 0 0 449.518 -0.641 20 30 IBEDRN C#CCNC(=O)CN1CCCN(c2ccc(S(C)(=O)=O)cc2S(C)(=O)=O)CC1 ZINC000733895977 1073461664 /nfs/dbraw/zinc/46/16/64/1073461664.db2.gz TVFCTGZBSGUYQD-UHFFFAOYSA-N 0 0 427.548 -0.245 20 30 IBEDRN C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 ZINC000734034632 1073464600 /nfs/dbraw/zinc/46/46/00/1073464600.db2.gz GILKKBMLSJUFNT-NEPJUHHUSA-N 0 0 438.462 -0.370 20 30 IBEDRN C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 ZINC000734034633 1073464483 /nfs/dbraw/zinc/46/44/83/1073464483.db2.gz GILKKBMLSJUFNT-NWDGAFQWSA-N 0 0 438.462 -0.370 20 30 IBEDRN C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 ZINC000734034971 1073464524 /nfs/dbraw/zinc/46/45/24/1073464524.db2.gz GILKKBMLSJUFNT-RYUDHWBXSA-N 0 0 438.462 -0.370 20 30 IBEDRN C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 ZINC000734034975 1073464500 /nfs/dbraw/zinc/46/45/00/1073464500.db2.gz GILKKBMLSJUFNT-VXGBXAGGSA-N 0 0 438.462 -0.370 20 30 IBEDRN Cc1ccc(C#N)cc1S(=O)(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000734151387 1073467185 /nfs/dbraw/zinc/46/71/85/1073467185.db2.gz PAQWPVAFLMFQDR-HNNXBMFYSA-N 0 0 447.560 -0.310 20 30 IBEDRN Cc1ccc(C#N)cc1S(=O)(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000734151388 1073467281 /nfs/dbraw/zinc/46/72/81/1073467281.db2.gz PAQWPVAFLMFQDR-OAHLLOKOSA-N 0 0 447.560 -0.310 20 30 IBEDRN COCCCNC(=O)[C@H](C)N1CCN(C(=O)NCCNC(=O)C2N=CC=CC2=O)CC1 ZINC000734277063 1073468633 /nfs/dbraw/zinc/46/86/33/1073468633.db2.gz NEEINODUNAAMHS-DXQAYGFFSA-N 0 0 436.513 -0.619 20 30 IBEDRN COCCCNC(=O)[C@@H](C)N1CCN(C(=O)NCCNC(=O)C2N=CC=CC2=O)CC1 ZINC000734277064 1073468615 /nfs/dbraw/zinc/46/86/15/1073468615.db2.gz NEEINODUNAAMHS-KIJUOZEOSA-N 0 0 436.513 -0.619 20 30 IBEDRN COCCCNC(=O)[C@@H](C)N1CCN(C(=O)NCCNC(=O)C2N=CC=CC2=O)CC1 ZINC000734277065 1073468764 /nfs/dbraw/zinc/46/87/64/1073468764.db2.gz NEEINODUNAAMHS-QFPXGYFVSA-N 0 0 436.513 -0.619 20 30 IBEDRN COCCCNC(=O)[C@H](C)N1CCN(C(=O)NCCNC(=O)C2N=CC=CC2=O)CC1 ZINC000734277066 1073468666 /nfs/dbraw/zinc/46/86/66/1073468666.db2.gz NEEINODUNAAMHS-UHHPSXQGSA-N 0 0 436.513 -0.619 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)NCC2CCN(S(=O)(=O)C(F)F)CC2)CC1 ZINC000734277794 1073468575 /nfs/dbraw/zinc/46/85/75/1073468575.db2.gz IURPZAYWSPQSCL-UHFFFAOYSA-N 0 0 437.513 -0.120 20 30 IBEDRN N#Cc1ccc([C@@H](C(N)=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000734484403 1073470410 /nfs/dbraw/zinc/47/04/10/1073470410.db2.gz SVWSNKNVGZQWMB-CVEARBPZSA-N 0 0 426.520 -0.781 20 30 IBEDRN N#Cc1ccc([C@@H](C(N)=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000734484405 1073471235 /nfs/dbraw/zinc/47/12/35/1073471235.db2.gz SVWSNKNVGZQWMB-HOTGVXAUSA-N 0 0 426.520 -0.781 20 30 IBEDRN N#Cc1ccc([C@H](C(N)=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000734484408 1073471147 /nfs/dbraw/zinc/47/11/47/1073471147.db2.gz SVWSNKNVGZQWMB-HZPDHXFCSA-N 0 0 426.520 -0.781 20 30 IBEDRN N#Cc1ccc([C@H](C(N)=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000734484409 1073471224 /nfs/dbraw/zinc/47/12/24/1073471224.db2.gz SVWSNKNVGZQWMB-JKSUJKDBSA-N 0 0 426.520 -0.781 20 30 IBEDRN NS(=O)(=O)c1ccc(F)c(CNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c1 ZINC000734551120 1073471069 /nfs/dbraw/zinc/47/10/69/1073471069.db2.gz IRXWPASKSIVISK-UHFFFAOYSA-N 0 0 426.451 -0.172 20 30 IBEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(CCC)c2)c(=O)n1CC(=O)N(C)C ZINC000735068051 1073479236 /nfs/dbraw/zinc/47/92/36/1073479236.db2.gz CQBZHVHJLXNZRM-UHFFFAOYSA-N 0 0 430.534 -0.366 20 30 IBEDRN CCCn1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CC(=O)N(C)C)c2=O)cn1 ZINC000735068277 1073479309 /nfs/dbraw/zinc/47/93/09/1073479309.db2.gz HEGVSVCLMJPTNK-UHFFFAOYSA-N 0 0 430.534 -0.368 20 30 IBEDRN CCCn1cc(C=c2sc(=C(C#N)C(=O)N3CCS(=O)(=O)CC3)n(CC)c2=O)cn1 ZINC000735068400 1073479180 /nfs/dbraw/zinc/47/91/80/1073479180.db2.gz IKIHEGIPSACPTP-UHFFFAOYSA-N 0 0 449.558 -0.704 20 30 IBEDRN CCCn1cc(C=c2sc(=C(C#N)C(=O)NC)n(CCN3CCOCC3)c2=O)cn1 ZINC000735068453 1073479317 /nfs/dbraw/zinc/47/93/17/1073479317.db2.gz BPMYQYWMVBGHHY-UHFFFAOYSA-N 0 0 430.534 -0.902 20 30 IBEDRN CCCn1cc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CC(=O)N(C)C)c2=O)cn1 ZINC000735068511 1073479271 /nfs/dbraw/zinc/47/92/71/1073479271.db2.gz JHHUUHRVHCCGJU-UHFFFAOYSA-N 0 0 444.561 -0.120 20 30 IBEDRN CCCn1cc(C=c2sc(=C(C#N)C(=O)N3CCSCC3)n(CC(N)=O)c2=O)cn1 ZINC000735068530 1073479111 /nfs/dbraw/zinc/47/91/11/1073479111.db2.gz JMNOJNZUIFZBBT-UHFFFAOYSA-N 0 0 446.558 -0.920 20 30 IBEDRN CCCn1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCS(C)(=O)=O)c2=O)cn1 ZINC000735068800 1073479093 /nfs/dbraw/zinc/47/90/93/1073479093.db2.gz LPIFWQRAHOXLBB-UHFFFAOYSA-N 0 0 449.558 -0.657 20 30 IBEDRN CCCn1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CCOCC)c2=O)cn1 ZINC000735069108 1073479804 /nfs/dbraw/zinc/47/98/04/1073479804.db2.gz QDBJJBDZLDZONO-UHFFFAOYSA-N 0 0 445.545 -0.085 20 30 IBEDRN CCCn1cc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C)c2=O)cn1 ZINC000735069110 1073479882 /nfs/dbraw/zinc/47/98/82/1073479882.db2.gz LWGYMOUJFQRKQN-UHFFFAOYSA-N 0 0 430.534 -0.995 20 30 IBEDRN CCCn1cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CC(=O)N(C)C)c2=O)cn1 ZINC000735069170 1073479730 /nfs/dbraw/zinc/47/97/30/1073479730.db2.gz QWOAIANLAVZFLN-UHFFFAOYSA-N 0 0 442.545 -0.270 20 30 IBEDRN CCCn1cc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(CC)c2=O)cn1 ZINC000735069201 1073479774 /nfs/dbraw/zinc/47/97/74/1073479774.db2.gz NOOCXDMYAYFFEP-UHFFFAOYSA-N 0 0 444.561 -0.512 20 30 IBEDRN CCCn1cc(C=c2sc(=C(C#N)C(=O)NCCOC)n(C[C@@H]3CCCO3)c2=O)cn1 ZINC000735069504 1073479844 /nfs/dbraw/zinc/47/98/44/1073479844.db2.gz UZKVHBFYVPXEQU-INIZCTEOSA-N 0 0 445.545 -0.039 20 30 IBEDRN CCCn1cc(C=c2sc(=C(C#N)C(=O)NCCOC)n(C[C@H]3CCCO3)c2=O)cn1 ZINC000735069505 1073479715 /nfs/dbraw/zinc/47/97/15/1073479715.db2.gz UZKVHBFYVPXEQU-MRXNPFEDSA-N 0 0 445.545 -0.039 20 30 IBEDRN CCCn1cc(C=c2sc(=C(C#N)C(=O)NC)n(-c3ccc(C(N)=O)cc3)c2=O)cn1 ZINC000735069592 1073479867 /nfs/dbraw/zinc/47/98/67/1073479867.db2.gz WEAIKTJMDBIYIJ-UHFFFAOYSA-N 0 0 436.497 -0.147 20 30 IBEDRN CCCn1cc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(CC(N)=O)c2=O)cn1 ZINC000735069647 1073479253 /nfs/dbraw/zinc/47/92/53/1073479253.db2.gz XLAUAXWMMXGKTG-UHFFFAOYSA-N 0 0 428.518 -0.437 20 30 IBEDRN CCCn1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CC(=O)N(C)C)c2=O)cn1 ZINC000735069701 1073479148 /nfs/dbraw/zinc/47/91/48/1073479148.db2.gz ZKDKKJSWPZLOQN-UHFFFAOYSA-N 0 0 428.518 -0.614 20 30 IBEDRN O=C(NCCNS(=O)(=O)c1cccc(S(=O)(=O)NC2CC2)c1)C1N=CC=CC1=O ZINC000735081473 1073481083 /nfs/dbraw/zinc/48/10/83/1073481083.db2.gz LACOPDXWHRSKKW-MSUUIHNZSA-N 0 0 440.503 -0.068 20 30 IBEDRN O=C(NCCNS(=O)(=O)c1cccc(S(=O)(=O)NC2CC2)c1)C1N=CC=CC1=O ZINC000735081476 1073481110 /nfs/dbraw/zinc/48/11/10/1073481110.db2.gz LACOPDXWHRSKKW-WUKNDPDISA-N 0 0 440.503 -0.068 20 30 IBEDRN CN(C)S(=O)(=O)c1ccc(S(=O)(=O)NCCNC(=O)C2N=CC=CC2=O)cc1 ZINC000735083555 1073481154 /nfs/dbraw/zinc/48/11/54/1073481154.db2.gz UZHFYMPJOVUHIN-FOCLMDBBSA-N 0 0 428.492 -0.258 20 30 IBEDRN CN(C)S(=O)(=O)c1ccc(S(=O)(=O)NCCNC(=O)C2N=CC=CC2=O)cc1 ZINC000735083556 1073481168 /nfs/dbraw/zinc/48/11/68/1073481168.db2.gz UZHFYMPJOVUHIN-NXVVXOECSA-N 0 0 428.492 -0.258 20 30 IBEDRN Cn1cc(C(=O)[C@H](C#N)C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c(=O)n(C)c1=O ZINC000735207413 1073485631 /nfs/dbraw/zinc/48/56/31/1073485631.db2.gz QMRQTHFLUROWSO-HNNXBMFYSA-N 0 0 440.416 -0.337 20 30 IBEDRN Cn1cc(C(=O)[C@@H](C#N)C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c(=O)n(C)c1=O ZINC000735207414 1073485731 /nfs/dbraw/zinc/48/57/31/1073485731.db2.gz QMRQTHFLUROWSO-OAHLLOKOSA-N 0 0 440.416 -0.337 20 30 IBEDRN Cn1cc(C(=O)[C@H](C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)c(=O)n(C)c1=O ZINC000735208054 1073485749 /nfs/dbraw/zinc/48/57/49/1073485749.db2.gz WGNMOSCVFZOWJO-HNNXBMFYSA-N 0 0 435.444 -0.009 20 30 IBEDRN Cn1cc(C(=O)[C@@H](C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)c(=O)n(C)c1=O ZINC000735208066 1073485555 /nfs/dbraw/zinc/48/55/55/1073485555.db2.gz WGNMOSCVFZOWJO-OAHLLOKOSA-N 0 0 435.444 -0.009 20 30 IBEDRN O=C(C/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000735257625 1073485701 /nfs/dbraw/zinc/48/57/01/1073485701.db2.gz WNDZBJTZGPQUEE-UHFFFAOYSA-N 0 0 432.462 -0.581 20 30 IBEDRN O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000735272581 1073485613 /nfs/dbraw/zinc/48/56/13/1073485613.db2.gz DYPYXQHGCINAAS-UHFFFAOYSA-N 0 0 446.489 -0.191 20 30 IBEDRN C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)c1 ZINC000735273823 1073485625 /nfs/dbraw/zinc/48/56/25/1073485625.db2.gz UHMBUNCZQLIQEK-UHFFFAOYSA-N 0 0 431.474 -0.094 20 30 IBEDRN C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)cc1 ZINC000735274445 1073485639 /nfs/dbraw/zinc/48/56/39/1073485639.db2.gz XNJPPFJIUWQDMF-UHFFFAOYSA-N 0 0 431.474 -0.094 20 30 IBEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(c3ccc(C(N)=O)cc3)CC2)c1=O ZINC000735484467 1073487596 /nfs/dbraw/zinc/48/75/96/1073487596.db2.gz DREUTYPJCFWWMR-UHFFFAOYSA-N 0 0 426.477 -0.578 20 30 IBEDRN C#CCNC(=O)CN1CCN(S(=O)(=O)C2CN(C(=O)OCc3ccccc3)C2)CC1 ZINC000735497814 1073489170 /nfs/dbraw/zinc/48/91/70/1073489170.db2.gz DPNNAYCRRPALOJ-UHFFFAOYSA-N 0 0 434.518 -0.296 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)c2ccc3c(c2)CCN3C(=O)CNC(C)=O)CC1 ZINC000735655797 1073492270 /nfs/dbraw/zinc/49/22/70/1073492270.db2.gz WKZXMSTZZOPYTJ-UHFFFAOYSA-N 0 0 425.489 -0.781 20 30 IBEDRN C#CCNC(=O)CN1CCCN(C(=O)c2ccc3c(c2)CCN3C(=O)CNC(C)=O)CC1 ZINC000735657842 1073492164 /nfs/dbraw/zinc/49/21/64/1073492164.db2.gz NGEUJTNIBKIHFJ-UHFFFAOYSA-N 0 0 439.516 -0.391 20 30 IBEDRN C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CC(=O)N(CCN3CCOCC3)C2)c1 ZINC000735822600 1073496561 /nfs/dbraw/zinc/49/65/61/1073496561.db2.gz CVXWIPCARUKWPW-KRWDZBQOSA-N 0 0 434.518 -0.739 20 30 IBEDRN C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CC(=O)N(CCN3CCOCC3)C2)c1 ZINC000735822603 1073496632 /nfs/dbraw/zinc/49/66/32/1073496632.db2.gz CVXWIPCARUKWPW-QGZVFWFLSA-N 0 0 434.518 -0.739 20 30 IBEDRN C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CC(=O)N(CCN3CCOCC3)C2)cc1 ZINC000735823880 1073497977 /nfs/dbraw/zinc/49/79/77/1073497977.db2.gz WBMNCFVTYAFMPL-KRWDZBQOSA-N 0 0 434.518 -0.739 20 30 IBEDRN C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CC(=O)N(CCN3CCOCC3)C2)cc1 ZINC000735823881 1073498052 /nfs/dbraw/zinc/49/80/52/1073498052.db2.gz WBMNCFVTYAFMPL-QGZVFWFLSA-N 0 0 434.518 -0.739 20 30 IBEDRN C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc(OC)c(C(=O)N(C)C)c2)CC1 ZINC000735921442 1073499908 /nfs/dbraw/zinc/49/99/08/1073499908.db2.gz IAZYXMIZIZCFDV-UHFFFAOYSA-N 0 0 436.534 -0.157 20 30 IBEDRN C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc(S(=O)(=O)CC)cc2)CC1 ZINC000735922854 1073499948 /nfs/dbraw/zinc/49/99/48/1073499948.db2.gz KYFDVDYRHKOORC-UHFFFAOYSA-N 0 0 427.548 -0.074 20 30 IBEDRN C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc(NS(C)(=O)=O)cc2F)CC1 ZINC000735923287 1073499938 /nfs/dbraw/zinc/49/99/38/1073499938.db2.gz QCPPSOPRCNETIO-UHFFFAOYSA-N 0 0 446.526 -0.357 20 30 IBEDRN C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cccc(S(=O)(=O)N(C)C)c2)CC1 ZINC000735923614 1073499889 /nfs/dbraw/zinc/49/98/89/1073499889.db2.gz UESBHCAQGJXLDZ-UHFFFAOYSA-N 0 0 442.563 -0.617 20 30 IBEDRN C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000735923620 1073499953 /nfs/dbraw/zinc/49/99/53/1073499953.db2.gz UKRHLFHSQJQJCT-UHFFFAOYSA-N 0 0 438.462 -0.188 20 30 IBEDRN C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc(S(=O)(=O)NC)cc2)CC1 ZINC000735923649 1073499840 /nfs/dbraw/zinc/49/98/40/1073499840.db2.gz VLOMLRWASZNUIO-UHFFFAOYSA-N 0 0 428.536 -0.960 20 30 IBEDRN C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)CC1 ZINC000735923715 1073499899 /nfs/dbraw/zinc/49/98/99/1073499899.db2.gz WJTBSFKRUUQGFA-UHFFFAOYSA-N 0 0 427.548 -0.156 20 30 IBEDRN C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc(CS(C)(=O)=O)cc2)CC1 ZINC000735923765 1073499896 /nfs/dbraw/zinc/49/98/96/1073499896.db2.gz XJNQYWTURXASHT-UHFFFAOYSA-N 0 0 427.548 -0.323 20 30 IBEDRN CCOC(=O)C(=O)N1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC000736126859 1073501833 /nfs/dbraw/zinc/50/18/33/1073501833.db2.gz JVBCCCQRDJMPTK-UHFFFAOYSA-N 0 0 436.490 -0.261 20 30 IBEDRN CCOC(=O)C(=O)N1CCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 ZINC000736126990 1073501918 /nfs/dbraw/zinc/50/19/18/1073501918.db2.gz MDGVFJNTLNZGIO-INIZCTEOSA-N 0 0 441.444 -0.003 20 30 IBEDRN CCOC(=O)C(=O)N1CCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 ZINC000736126991 1073501820 /nfs/dbraw/zinc/50/18/20/1073501820.db2.gz MDGVFJNTLNZGIO-MRXNPFEDSA-N 0 0 441.444 -0.003 20 30 IBEDRN O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000736152013 1073503744 /nfs/dbraw/zinc/50/37/44/1073503744.db2.gz HPDTTYOZUAXYMT-HNNXBMFYSA-N 0 0 449.533 -0.836 20 30 IBEDRN O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000736152022 1073503797 /nfs/dbraw/zinc/50/37/97/1073503797.db2.gz HPDTTYOZUAXYMT-OAHLLOKOSA-N 0 0 449.533 -0.836 20 30 IBEDRN N#CCOc1ccc(CC(=O)N2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000736166652 1073503061 /nfs/dbraw/zinc/50/30/61/1073503061.db2.gz IFTKIWHVIWLGQA-KRWDZBQOSA-N 0 0 434.518 -0.421 20 30 IBEDRN N#CCOc1ccc(CC(=O)N2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000736166653 1073503079 /nfs/dbraw/zinc/50/30/79/1073503079.db2.gz IFTKIWHVIWLGQA-QGZVFWFLSA-N 0 0 434.518 -0.421 20 30 IBEDRN COCCn1c(=O)c(=Cc2sc(C)nc2C)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000736584859 1073505590 /nfs/dbraw/zinc/50/55/90/1073505590.db2.gz RQQKTABGTHGIRQ-UHFFFAOYSA-N 0 0 434.543 -0.009 20 30 IBEDRN C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NCCS(=O)(=O)N2CCOCC2)cc1 ZINC000737167799 1073507037 /nfs/dbraw/zinc/50/70/37/1073507037.db2.gz OJSFWHDJTDDTPQ-UHFFFAOYSA-N 0 0 439.494 -0.289 20 30 IBEDRN CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCCS(C)(=O)=O)c1 ZINC000737237500 1073508718 /nfs/dbraw/zinc/50/87/18/1073508718.db2.gz CPEMTBQLRNVWEO-RGEXLXHISA-N 0 0 430.508 -0.401 20 30 IBEDRN CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCCS(C)(=O)=O)c1 ZINC000737237501 1073508669 /nfs/dbraw/zinc/50/86/69/1073508669.db2.gz CPEMTBQLRNVWEO-XMHGGMMESA-N 0 0 430.508 -0.401 20 30 IBEDRN CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NCCS(C)(=O)=O)cc1 ZINC000737238687 1073508330 /nfs/dbraw/zinc/50/83/30/1073508330.db2.gz SSZRTWRZCVZLSM-RGEXLXHISA-N 0 0 430.508 -0.401 20 30 IBEDRN CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NCCS(C)(=O)=O)cc1 ZINC000737238688 1073508260 /nfs/dbraw/zinc/50/82/60/1073508260.db2.gz SSZRTWRZCVZLSM-XMHGGMMESA-N 0 0 430.508 -0.401 20 30 IBEDRN CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NCCCS(C)(=O)=O)cc1 ZINC000737249837 1073508226 /nfs/dbraw/zinc/50/82/26/1073508226.db2.gz CQUTYAAXHKEUSJ-HKWRFOASSA-N 0 0 444.535 -0.011 20 30 IBEDRN CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NCCCS(C)(=O)=O)cc1 ZINC000737249838 1073508188 /nfs/dbraw/zinc/50/81/88/1073508188.db2.gz CQUTYAAXHKEUSJ-HMMYKYKNSA-N 0 0 444.535 -0.011 20 30 IBEDRN CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCCCS(C)(=O)=O)c1 ZINC000737251507 1073508600 /nfs/dbraw/zinc/50/86/00/1073508600.db2.gz YOZWYEMJCANQJG-HKWRFOASSA-N 0 0 444.535 -0.011 20 30 IBEDRN CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCCCS(C)(=O)=O)c1 ZINC000737251512 1073508613 /nfs/dbraw/zinc/50/86/13/1073508613.db2.gz YOZWYEMJCANQJG-HMMYKYKNSA-N 0 0 444.535 -0.011 20 30 IBEDRN CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCCCS(N)(=O)=O)c1 ZINC000737254058 1073508784 /nfs/dbraw/zinc/50/87/84/1073508784.db2.gz IEZSIZGNURDSCC-XSFVSMFZSA-N 0 0 445.523 -0.767 20 30 IBEDRN CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCCCS(N)(=O)=O)c1 ZINC000737254059 1073508534 /nfs/dbraw/zinc/50/85/34/1073508534.db2.gz IEZSIZGNURDSCC-ZHZULCJRSA-N 0 0 445.523 -0.767 20 30 IBEDRN CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NCCCS(N)(=O)=O)cc1 ZINC000737254439 1073508706 /nfs/dbraw/zinc/50/87/06/1073508706.db2.gz MJJWAHNDRCMRTQ-XSFVSMFZSA-N 0 0 445.523 -0.767 20 30 IBEDRN CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NCCCS(N)(=O)=O)cc1 ZINC000737254441 1073508549 /nfs/dbraw/zinc/50/85/49/1073508549.db2.gz MJJWAHNDRCMRTQ-ZHZULCJRSA-N 0 0 445.523 -0.767 20 30 IBEDRN CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 ZINC000737286183 1073509294 /nfs/dbraw/zinc/50/92/94/1073509294.db2.gz BIBDGSVADBQATB-HKWRFOASSA-N 0 0 444.535 -0.011 20 30 IBEDRN CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 ZINC000737286188 1073509144 /nfs/dbraw/zinc/50/91/44/1073509144.db2.gz BIBDGSVADBQATB-HMMYKYKNSA-N 0 0 444.535 -0.011 20 30 IBEDRN CCS(=O)(=O)CCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 ZINC000737286534 1073509215 /nfs/dbraw/zinc/50/92/15/1073509215.db2.gz LTJTVJLCFYRBDD-HKWRFOASSA-N 0 0 444.535 -0.011 20 30 IBEDRN CCS(=O)(=O)CCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 ZINC000737286535 1073509086 /nfs/dbraw/zinc/50/90/86/1073509086.db2.gz LTJTVJLCFYRBDD-HMMYKYKNSA-N 0 0 444.535 -0.011 20 30 IBEDRN COC[C@](C)(O)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 ZINC000737304144 1073510699 /nfs/dbraw/zinc/51/06/99/1073510699.db2.gz GPECHNHDHZFJQE-AFDUHFSSSA-N 0 0 426.495 -0.049 20 30 IBEDRN COC[C@@](C)(O)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 ZINC000737304147 1073510802 /nfs/dbraw/zinc/51/08/02/1073510802.db2.gz GPECHNHDHZFJQE-CQHJRZBDSA-N 0 0 426.495 -0.049 20 30 IBEDRN COC[C@@](C)(O)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 ZINC000737304150 1073510779 /nfs/dbraw/zinc/51/07/79/1073510779.db2.gz GPECHNHDHZFJQE-IGCAKMCNSA-N 0 0 426.495 -0.049 20 30 IBEDRN COC[C@](C)(O)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 ZINC000737304152 1073510829 /nfs/dbraw/zinc/51/08/29/1073510829.db2.gz GPECHNHDHZFJQE-ISPGYRLHSA-N 0 0 426.495 -0.049 20 30 IBEDRN CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NCCN2C(=O)CCC2=O)cc1 ZINC000737306259 1073510905 /nfs/dbraw/zinc/51/09/05/1073510905.db2.gz RTMOIZUFXWSMSB-JCMHNJIXSA-N 0 0 449.489 -0.297 20 30 IBEDRN CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NCCN2C(=O)CCC2=O)cc1 ZINC000737306262 1073510816 /nfs/dbraw/zinc/51/08/16/1073510816.db2.gz RTMOIZUFXWSMSB-PXLXIMEGSA-N 0 0 449.489 -0.297 20 30 IBEDRN CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCCN2C(=O)CCC2=O)c1 ZINC000737306279 1073511477 /nfs/dbraw/zinc/51/14/77/1073511477.db2.gz SIKFTWHEHOVBCO-JCMHNJIXSA-N 0 0 449.489 -0.297 20 30 IBEDRN CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCCN2C(=O)CCC2=O)c1 ZINC000737306282 1073511311 /nfs/dbraw/zinc/51/13/11/1073511311.db2.gz SIKFTWHEHOVBCO-PXLXIMEGSA-N 0 0 449.489 -0.297 20 30 IBEDRN COC[C@](C)(O)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 ZINC000737307157 1073511259 /nfs/dbraw/zinc/51/12/59/1073511259.db2.gz WJIQKNZTRUVONH-AFDUHFSSSA-N 0 0 426.495 -0.049 20 30 IBEDRN COC[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 ZINC000737307165 1073511296 /nfs/dbraw/zinc/51/12/96/1073511296.db2.gz WJIQKNZTRUVONH-CQHJRZBDSA-N 0 0 426.495 -0.049 20 30 IBEDRN COC[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 ZINC000737307169 1073511457 /nfs/dbraw/zinc/51/14/57/1073511457.db2.gz WJIQKNZTRUVONH-IGCAKMCNSA-N 0 0 426.495 -0.049 20 30 IBEDRN COC[C@](C)(O)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 ZINC000737307176 1073511433 /nfs/dbraw/zinc/51/14/33/1073511433.db2.gz WJIQKNZTRUVONH-ISPGYRLHSA-N 0 0 426.495 -0.049 20 30 IBEDRN COC(=O)[C@@H]1CN(C(=O)C(=O)NCCNC(=O)C2N=CC=CC2=O)c2ccccc2O1 ZINC000737308057 1073511420 /nfs/dbraw/zinc/51/14/20/1073511420.db2.gz WLALRRFZKBJNKA-DZHJMQLISA-N 0 0 428.401 -0.404 20 30 IBEDRN COC(=O)[C@H]1CN(C(=O)C(=O)NCCNC(=O)C2N=CC=CC2=O)c2ccccc2O1 ZINC000737308058 1073511407 /nfs/dbraw/zinc/51/14/07/1073511407.db2.gz WLALRRFZKBJNKA-KSPIOAOGSA-N 0 0 428.401 -0.404 20 30 IBEDRN COC(=O)[C@@H]1CN(C(=O)C(=O)NCCNC(=O)C2N=CC=CC2=O)c2ccccc2O1 ZINC000737308059 1073511466 /nfs/dbraw/zinc/51/14/66/1073511466.db2.gz WLALRRFZKBJNKA-MWWIPNPYSA-N 0 0 428.401 -0.404 20 30 IBEDRN COC(=O)[C@H]1CN(C(=O)C(=O)NCCNC(=O)C2N=CC=CC2=O)c2ccccc2O1 ZINC000737308060 1073511278 /nfs/dbraw/zinc/51/12/78/1073511278.db2.gz WLALRRFZKBJNKA-XNSRXUQDSA-N 0 0 428.401 -0.404 20 30 IBEDRN C#CCN(C(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 ZINC000737808150 1072646086 /nfs/dbraw/zinc/64/60/86/1072646086.db2.gz GFSJPBBEVSZUAJ-AWEZNQCLSA-N 0 0 429.476 -0.136 20 30 IBEDRN C#CCN(C(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 ZINC000737808152 1073511980 /nfs/dbraw/zinc/51/19/80/1073511980.db2.gz GFSJPBBEVSZUAJ-CQSZACIVSA-N 0 0 429.476 -0.136 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000737835253 1073511994 /nfs/dbraw/zinc/51/19/94/1073511994.db2.gz HUARFDCNSDCKMH-UHFFFAOYSA-N 0 0 437.478 -0.891 20 30 IBEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(C(=O)c3cccc(OC)c3)CC2)c1=O ZINC000738019012 1073511909 /nfs/dbraw/zinc/51/19/09/1073511909.db2.gz OYDNEUSFEPBQOD-UHFFFAOYSA-N 0 0 441.488 -0.032 20 30 IBEDRN CN(C)S(=O)(=O)c1cnn(CN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 ZINC000738024861 1073512077 /nfs/dbraw/zinc/51/20/77/1073512077.db2.gz VVEBAGWKDRASJE-UHFFFAOYSA-N 0 0 438.535 -0.031 20 30 IBEDRN C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@H](CNS(N)(=O)=O)C2)ccc1F ZINC000739696496 1073516200 /nfs/dbraw/zinc/51/62/00/1073516200.db2.gz ITFNSMINHLJGMB-GFCCVEGCSA-N 0 0 434.515 -0.065 20 30 IBEDRN C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@@H](CNS(N)(=O)=O)C2)ccc1F ZINC000739696497 1073516127 /nfs/dbraw/zinc/51/61/27/1073516127.db2.gz ITFNSMINHLJGMB-LBPRGKRZSA-N 0 0 434.515 -0.065 20 30 IBEDRN NS(=O)(=O)NC[C@H]1CCCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1 ZINC000739696683 1073516187 /nfs/dbraw/zinc/51/61/87/1073516187.db2.gz OEGUQCVNOIQHNY-GFCCVEGCSA-N 0 0 429.524 -0.853 20 30 IBEDRN NS(=O)(=O)NC[C@@H]1CCCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1 ZINC000739696684 1073516335 /nfs/dbraw/zinc/51/63/35/1073516335.db2.gz OEGUQCVNOIQHNY-LBPRGKRZSA-N 0 0 429.524 -0.853 20 30 IBEDRN NS(=O)(=O)NC[C@H]1CCCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1 ZINC000739696776 1073516763 /nfs/dbraw/zinc/51/67/63/1073516763.db2.gz UAODMRYFBNUTPF-CYBMUJFWSA-N 0 0 443.551 -0.463 20 30 IBEDRN NS(=O)(=O)NC[C@@H]1CCCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1 ZINC000739696777 1073516813 /nfs/dbraw/zinc/51/68/13/1073516813.db2.gz UAODMRYFBNUTPF-ZDUSSCGKSA-N 0 0 443.551 -0.463 20 30 IBEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)ccc2[N+](=O)[O-])c(=O)n1CC(N)=O ZINC000739830196 1073517289 /nfs/dbraw/zinc/51/72/89/1073517289.db2.gz GZVHYLFTPCYAES-UHFFFAOYSA-N 0 0 449.876 -0.014 20 30 IBEDRN N#CC(C(=O)NC1CC1)=c1sc(=Cc2cc(Cl)ccc2[N+](=O)[O-])c(=O)n1CC(N)=O ZINC000739830528 1073517332 /nfs/dbraw/zinc/51/73/32/1073517332.db2.gz HGBFWZOQVTYQRR-UHFFFAOYSA-N 0 0 447.860 -0.262 20 30 IBEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)ccc2[N+](=O)[O-])c(=O)n1CC(N)=O ZINC000739831844 1073517412 /nfs/dbraw/zinc/51/74/12/1073517412.db2.gz PITHFKCLQHLQGY-UHFFFAOYSA-N 0 0 447.860 -0.238 20 30 IBEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2cc(Cl)ccc2[N+](=O)[O-])c(=O)n1CC(N)=O ZINC000739834002 1073517224 /nfs/dbraw/zinc/51/72/24/1073517224.db2.gz ZDCMCICKALLPTD-UHFFFAOYSA-N 0 0 449.876 -0.016 20 30 IBEDRN COC(=O)[C@@H](c1ccc(C#N)cc1)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000739905908 1073517686 /nfs/dbraw/zinc/51/76/86/1073517686.db2.gz ZGQRRDCGRHDLFK-DLBZAZTESA-N 0 0 441.531 -0.093 20 30 IBEDRN COC(=O)[C@@H](c1ccc(C#N)cc1)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000739905909 1073517868 /nfs/dbraw/zinc/51/78/68/1073517868.db2.gz ZGQRRDCGRHDLFK-IAGOWNOFSA-N 0 0 441.531 -0.093 20 30 IBEDRN COC(=O)[C@H](c1ccc(C#N)cc1)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000739905911 1073517955 /nfs/dbraw/zinc/51/79/55/1073517955.db2.gz ZGQRRDCGRHDLFK-IRXDYDNUSA-N 0 0 441.531 -0.093 20 30 IBEDRN COC(=O)[C@H](c1ccc(C#N)cc1)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000739905913 1073517839 /nfs/dbraw/zinc/51/78/39/1073517839.db2.gz ZGQRRDCGRHDLFK-SJORKVTESA-N 0 0 441.531 -0.093 20 30 IBEDRN C#CCSCCNC(=O)N1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000740487688 1073519067 /nfs/dbraw/zinc/51/90/67/1073519067.db2.gz FRYXTHWKGLWWIQ-UHFFFAOYSA-N 0 0 446.576 -0.284 20 30 IBEDRN CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCS(=O)(=O)CC2)c1 ZINC000740493245 1073518972 /nfs/dbraw/zinc/51/89/72/1073518972.db2.gz CSGLDJDOHZQVTO-CYVLTUHYSA-N 0 0 442.519 -0.305 20 30 IBEDRN CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCS(=O)(=O)CC2)c1 ZINC000740493247 1073518860 /nfs/dbraw/zinc/51/88/60/1073518860.db2.gz CSGLDJDOHZQVTO-XDJHFCHBSA-N 0 0 442.519 -0.305 20 30 IBEDRN CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCS(=O)(=O)CC2)cc1 ZINC000740493596 1073519000 /nfs/dbraw/zinc/51/90/00/1073519000.db2.gz HZTLJBOUSMSNEO-CYVLTUHYSA-N 0 0 442.519 -0.305 20 30 IBEDRN CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCS(=O)(=O)CC2)cc1 ZINC000740493597 1073519482 /nfs/dbraw/zinc/51/94/82/1073519482.db2.gz HZTLJBOUSMSNEO-XDJHFCHBSA-N 0 0 442.519 -0.305 20 30 IBEDRN C#CCSCCNC(=O)C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1 ZINC000740509583 1073519503 /nfs/dbraw/zinc/51/95/03/1073519503.db2.gz AUWBPDHIBPXZKS-UHFFFAOYSA-N 0 0 425.536 -0.416 20 30 IBEDRN C#CCSCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)CCS(C)(=O)=O)cc1 ZINC000740517011 1073519494 /nfs/dbraw/zinc/51/94/94/1073519494.db2.gz JIVZKWKDHBFQNU-UHFFFAOYSA-N 0 0 432.545 -0.074 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)CCS(=O)(=O)c2ccc(OC)c(OC)c2)CC1 ZINC000740822574 1073520529 /nfs/dbraw/zinc/52/05/29/1073520529.db2.gz NAZVIOQOVWFRCS-UHFFFAOYSA-N 0 0 437.518 -0.239 20 30 IBEDRN CN1CCN(S(=O)(=O)N2CCN(Cc3nc4ccccc4c(=O)n3CC#N)CC2)CC1 ZINC000740878218 1073521240 /nfs/dbraw/zinc/52/12/40/1073521240.db2.gz UWQJIUWUTGXRFN-UHFFFAOYSA-N 0 0 445.549 -0.470 20 30 IBEDRN Cc1cc(C#N)ccc1S(=O)(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000740890803 1073521296 /nfs/dbraw/zinc/52/12/96/1073521296.db2.gz OEWJXXVTPBDHGU-HNNXBMFYSA-N 0 0 447.560 -0.310 20 30 IBEDRN Cc1cc(C#N)ccc1S(=O)(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000740890804 1073521004 /nfs/dbraw/zinc/52/10/04/1073521004.db2.gz OEWJXXVTPBDHGU-OAHLLOKOSA-N 0 0 447.560 -0.310 20 30 IBEDRN C=CCNC(=O)NC(=O)COC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000741007333 1073522896 /nfs/dbraw/zinc/52/28/96/1073522896.db2.gz FSWCPASEODWNNT-UHFFFAOYSA-N 0 0 438.506 -0.144 20 30 IBEDRN C#CCNC(=O)CN1CCCN(C(=O)c2cc(S(N)(=O)=O)cc([N+](=O)[O-])c2C)CC1 ZINC000741140991 1073523884 /nfs/dbraw/zinc/52/38/84/1073523884.db2.gz XPUGKXBIMKZPSP-UHFFFAOYSA-N 0 0 437.478 -0.552 20 30 IBEDRN CN1CCN(S(=O)(=O)N2CCN(S(=O)(=O)c3cccc(F)c3C#N)CC2)CC1 ZINC000741157872 1073524645 /nfs/dbraw/zinc/52/46/45/1073524645.db2.gz JRWPGEDMFCPAER-UHFFFAOYSA-N 0 0 431.515 -0.504 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)CCS(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 ZINC000741211395 1073525035 /nfs/dbraw/zinc/52/50/35/1073525035.db2.gz KMPYRWBZEFJBBU-UHFFFAOYSA-N 0 0 449.529 -0.095 20 30 IBEDRN C#CCNC(=O)CN1CCCN(C(=O)CN2CCN(C(=O)OC(C)(C)C)CC2=O)CC1 ZINC000741217199 1073525883 /nfs/dbraw/zinc/52/58/83/1073525883.db2.gz DAIGXKIYZYUBBW-UHFFFAOYSA-N 0 0 435.525 -0.651 20 30 IBEDRN CS(=O)(=O)CCn1ccc(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)n1 ZINC000741236595 1073527029 /nfs/dbraw/zinc/52/70/29/1073527029.db2.gz KGDJJPFXDBSPDN-UHFFFAOYSA-N 0 0 425.492 -0.005 20 30 IBEDRN CC1CCC2(CC1)NC(=O)N(NC(=O)COC(=O)CCNC(=O)C1N=CC=CC1=O)C2=O ZINC000741340124 1073529595 /nfs/dbraw/zinc/52/95/95/1073529595.db2.gz DHOPRLCVRNDNQE-MSUUIHNZSA-N 0 0 447.448 -0.022 20 30 IBEDRN CC1CCC2(CC1)NC(=O)N(NC(=O)COC(=O)CCNC(=O)C1N=CC=CC1=O)C2=O ZINC000741340131 1073529462 /nfs/dbraw/zinc/52/94/62/1073529462.db2.gz DHOPRLCVRNDNQE-WUKNDPDISA-N 0 0 447.448 -0.022 20 30 IBEDRN CC(C)(C)OC(=O)N1CCN(CC(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)C(=O)C1 ZINC000741441020 1073532229 /nfs/dbraw/zinc/53/22/29/1073532229.db2.gz FIQGCAPJQANMST-CYBMUJFWSA-N 0 0 442.494 -0.968 20 30 IBEDRN CC(C)(C)OC(=O)N1CCN(CC(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)C(=O)C1 ZINC000741441027 1073532139 /nfs/dbraw/zinc/53/21/39/1073532139.db2.gz FIQGCAPJQANMST-ZDUSSCGKSA-N 0 0 442.494 -0.968 20 30 IBEDRN C#CCOc1ccc(C(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000741672313 1073534697 /nfs/dbraw/zinc/53/46/97/1073534697.db2.gz GCIHPWVSDREPKG-KRWDZBQOSA-N 0 0 426.516 -0.027 20 30 IBEDRN C#CCOc1ccc(C(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000741672315 1073534716 /nfs/dbraw/zinc/53/47/16/1073534716.db2.gz GCIHPWVSDREPKG-QGZVFWFLSA-N 0 0 426.516 -0.027 20 30 IBEDRN C#CCNS(=O)(=O)c1ccc(C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)cc1 ZINC000741703088 1073535124 /nfs/dbraw/zinc/53/51/24/1073535124.db2.gz KIVAMDYILLFRML-UHFFFAOYSA-N 0 0 431.474 -0.094 20 30 IBEDRN O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000741703167 1073535227 /nfs/dbraw/zinc/53/52/27/1073535227.db2.gz LLTRLGNOYDJEPO-UHFFFAOYSA-N 0 0 446.489 -0.191 20 30 IBEDRN O=C(C/N=C1/NS(=O)(=O)c2ccccc21)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000741703920 1073535160 /nfs/dbraw/zinc/53/51/60/1073535160.db2.gz OTBRGRJYUNXJHA-UHFFFAOYSA-N 0 0 432.462 -0.581 20 30 IBEDRN C#CCNS(=O)(=O)c1cccc(C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)c1 ZINC000741704005 1073535217 /nfs/dbraw/zinc/53/52/17/1073535217.db2.gz QPEMQRWTQFQGHR-UHFFFAOYSA-N 0 0 431.474 -0.094 20 30 IBEDRN COCCNC(=O)Cn1cc(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)cn1 ZINC000741735878 1073535740 /nfs/dbraw/zinc/53/57/40/1073535740.db2.gz FTFBAAOECDNGIZ-UHFFFAOYSA-N 0 0 434.478 -0.287 20 30 IBEDRN COC(=O)[C@H](c1ccc(C#N)cc1)N1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC000741791020 1073536279 /nfs/dbraw/zinc/53/62/79/1073536279.db2.gz NSBHPOOHCDPUPV-HKUYNNGSSA-N 0 0 434.518 -0.307 20 30 IBEDRN COC(=O)[C@@H](c1ccc(C#N)cc1)N1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000741791030 1073536404 /nfs/dbraw/zinc/53/64/04/1073536404.db2.gz NSBHPOOHCDPUPV-IEBWSBKVSA-N 0 0 434.518 -0.307 20 30 IBEDRN COC(=O)[C@H](c1ccc(C#N)cc1)N1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000741791032 1073536222 /nfs/dbraw/zinc/53/62/22/1073536222.db2.gz NSBHPOOHCDPUPV-MJGOQNOKSA-N 0 0 434.518 -0.307 20 30 IBEDRN COC(=O)[C@@H](c1ccc(C#N)cc1)N1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC000741791033 1073537022 /nfs/dbraw/zinc/53/70/22/1073537022.db2.gz NSBHPOOHCDPUPV-PKOBYXMFSA-N 0 0 434.518 -0.307 20 30 IBEDRN CCOC(=O)c1cnn(C)c1NC(=O)COC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 ZINC000741831517 1073536772 /nfs/dbraw/zinc/53/67/72/1073536772.db2.gz MVELVUCBPWZFLV-UHFFFAOYSA-N 0 0 449.445 -0.071 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)[C@H](C)NC(=O)c2cc3c(C)nn(C)c3s2)CC1 ZINC000742065454 1073538565 /nfs/dbraw/zinc/53/85/65/1073538565.db2.gz GDIIWJSSPWIKIB-AWEZNQCLSA-N 0 0 430.534 -0.045 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)[C@@H](C)NC(=O)c2cc3c(C)nn(C)c3s2)CC1 ZINC000742065455 1073538611 /nfs/dbraw/zinc/53/86/11/1073538611.db2.gz GDIIWJSSPWIKIB-CQSZACIVSA-N 0 0 430.534 -0.045 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)CCCN(C)C2=NS(=O)(=O)c3ccccc32)CC1 ZINC000742065552 1073538697 /nfs/dbraw/zinc/53/86/97/1073538697.db2.gz KLGBMGNELNXWEB-UHFFFAOYSA-N 0 0 445.545 -0.259 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)c2ccc(S(=O)(=O)CC(=O)N(C)C)cc2)CC1 ZINC000742065949 1073538734 /nfs/dbraw/zinc/53/87/34/1073538734.db2.gz SWJKHZXVEUARTH-UHFFFAOYSA-N 0 0 434.518 -0.944 20 30 IBEDRN C#CCNC(=O)CN1CCCN(C(=O)c2ccc(S(=O)(=O)CC(=O)N(C)C)cc2)CC1 ZINC000742067960 1073538716 /nfs/dbraw/zinc/53/87/16/1073538716.db2.gz PDRKMXWPVOITDA-UHFFFAOYSA-N 0 0 448.545 -0.554 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(COC)cc2)c(=O)n1CCOC ZINC000742144068 1073538597 /nfs/dbraw/zinc/53/85/97/1073538597.db2.gz SAQPWEMUAIROOM-UHFFFAOYSA-N 0 0 431.514 -0.032 20 30 IBEDRN COc1ccc(C=c2sc(=C(C#N)C#N)n(CCNS(C)(=O)=O)c2=O)cc1C#N ZINC000742144082 1073539151 /nfs/dbraw/zinc/53/91/51/1073539151.db2.gz SNNPFTWIGPFYSH-UHFFFAOYSA-N 0 0 429.483 -0.634 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(C#N)c2)c(=O)n1CCOC ZINC000742144109 1073539021 /nfs/dbraw/zinc/53/90/21/1073539021.db2.gz VCBGEVPWKAXOOE-UHFFFAOYSA-N 0 0 442.497 -0.298 20 30 IBEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(COC)cc2)c(=O)n1CC(=O)N(C)C ZINC000742144213 1073539072 /nfs/dbraw/zinc/53/90/72/1073539072.db2.gz ZUSMDBQTUHKAEM-UHFFFAOYSA-N 0 0 440.525 -0.050 20 30 IBEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(Cc3cccc(F)c3)C(=O)C2)c1=O ZINC000742155012 1073539122 /nfs/dbraw/zinc/53/91/22/1073539122.db2.gz HNDJBAMKFKWUPJ-UHFFFAOYSA-N 0 0 429.452 -0.015 20 30 IBEDRN C[C@H]1CN(S(=O)(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3C#N)CC2)C[C@H](C)O1 ZINC000742177144 1073539505 /nfs/dbraw/zinc/53/95/05/1073539505.db2.gz YMQKQXBJNXDMKR-KBPBESRZSA-N 0 0 443.551 -0.318 20 30 IBEDRN C[C@@H]1CN(S(=O)(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3C#N)CC2)C[C@H](C)O1 ZINC000742177148 1073539559 /nfs/dbraw/zinc/53/95/59/1073539559.db2.gz YMQKQXBJNXDMKR-OKILXGFUSA-N 0 0 443.551 -0.318 20 30 IBEDRN C[C@@H]1CN(S(=O)(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3C#N)CC2)C[C@@H](C)O1 ZINC000742177150 1073539570 /nfs/dbraw/zinc/53/95/70/1073539570.db2.gz YMQKQXBJNXDMKR-ZIAGYGMSSA-N 0 0 443.551 -0.318 20 30 IBEDRN C[C@@H](CC(=O)N1CCN(CC(=O)NC2CC2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000742490079 1073542829 /nfs/dbraw/zinc/54/28/29/1073542829.db2.gz NRCUUCZHQSUOMS-AWEZNQCLSA-N 0 0 433.534 -0.074 20 30 IBEDRN C[C@H](CC(=O)N1CCN(CC(=O)NC2CC2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000742490094 1073543344 /nfs/dbraw/zinc/54/33/44/1073543344.db2.gz NRCUUCZHQSUOMS-CQSZACIVSA-N 0 0 433.534 -0.074 20 30 IBEDRN CC(C)NC(=O)C(=O)N1CCN(C(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC000742500038 1073543493 /nfs/dbraw/zinc/54/34/93/1073543493.db2.gz GWOPARHGQVBIGE-AWEZNQCLSA-N 0 0 449.533 -0.301 20 30 IBEDRN CC(C)NC(=O)C(=O)N1CCN(C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC000742500042 1073543438 /nfs/dbraw/zinc/54/34/38/1073543438.db2.gz GWOPARHGQVBIGE-CQSZACIVSA-N 0 0 449.533 -0.301 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC000742501736 1073543460 /nfs/dbraw/zinc/54/34/60/1073543460.db2.gz XYZSHOHRIAGWPA-HNNXBMFYSA-N 0 0 433.534 -0.050 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC000742501737 1073543258 /nfs/dbraw/zinc/54/32/58/1073543258.db2.gz XYZSHOHRIAGWPA-OAHLLOKOSA-N 0 0 433.534 -0.050 20 30 IBEDRN C[C@H](CC(=O)N1CCCN(S(C)(=O)=O)CC1)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000742517291 1073543880 /nfs/dbraw/zinc/54/38/80/1073543880.db2.gz JMRYKZSDVSYAME-CYBMUJFWSA-N 0 0 428.536 -0.002 20 30 IBEDRN C[C@@H](CC(=O)N1CCCN(S(C)(=O)=O)CC1)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000742517292 1073543959 /nfs/dbraw/zinc/54/39/59/1073543959.db2.gz JMRYKZSDVSYAME-ZDUSSCGKSA-N 0 0 428.536 -0.002 20 30 IBEDRN C[C@H](CC(=O)N1CCN(S(=O)(=O)N(C)C)CC1)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000742526056 1073543292 /nfs/dbraw/zinc/54/32/92/1073543292.db2.gz MLHDZPAMSOSHEU-CYBMUJFWSA-N 0 0 443.551 -0.546 20 30 IBEDRN C[C@@H](CC(=O)N1CCN(S(=O)(=O)N(C)C)CC1)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000742526061 1073543415 /nfs/dbraw/zinc/54/34/15/1073543415.db2.gz MLHDZPAMSOSHEU-ZDUSSCGKSA-N 0 0 443.551 -0.546 20 30 IBEDRN C[C@H](CC(=O)N1CCC[C@H](CNS(N)(=O)=O)C1)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000742545374 1073543922 /nfs/dbraw/zinc/54/39/22/1073543922.db2.gz HGZPWMWHLCXYPI-CHWSQXEVSA-N 0 0 443.551 -0.465 20 30 IBEDRN C[C@H](CC(=O)N1CCC[C@@H](CNS(N)(=O)=O)C1)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000742545380 1073543997 /nfs/dbraw/zinc/54/39/97/1073543997.db2.gz HGZPWMWHLCXYPI-OLZOCXBDSA-N 0 0 443.551 -0.465 20 30 IBEDRN C[C@H](CC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000742547346 1073543942 /nfs/dbraw/zinc/54/39/42/1073543942.db2.gz OSDKBXBCUYJANX-CYBMUJFWSA-N 0 0 447.517 -0.547 20 30 IBEDRN C[C@@H](CC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000742547355 1073543764 /nfs/dbraw/zinc/54/37/64/1073543764.db2.gz OSDKBXBCUYJANX-ZDUSSCGKSA-N 0 0 447.517 -0.547 20 30 IBEDRN C[C@H](CC(=O)NCCN1CCS(=O)(=O)CC1)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000742580041 1073544347 /nfs/dbraw/zinc/54/43/47/1073544347.db2.gz FZKBFWRFTCJUOL-CYBMUJFWSA-N 0 0 428.536 -0.650 20 30 IBEDRN C[C@@H](CC(=O)NCCN1CCS(=O)(=O)CC1)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000742580042 1073544315 /nfs/dbraw/zinc/54/43/15/1073544315.db2.gz FZKBFWRFTCJUOL-ZDUSSCGKSA-N 0 0 428.536 -0.650 20 30 IBEDRN CCS(=O)(=O)N1CCN(C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC000742600400 1073544723 /nfs/dbraw/zinc/54/47/23/1073544723.db2.gz DUSSXFMOZAISMG-CYBMUJFWSA-N 0 0 428.536 -0.002 20 30 IBEDRN CCS(=O)(=O)N1CCN(C(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC000742600403 1073544824 /nfs/dbraw/zinc/54/48/24/1073544824.db2.gz DUSSXFMOZAISMG-ZDUSSCGKSA-N 0 0 428.536 -0.002 20 30 IBEDRN C[C@H](CC(=O)NCCS(=O)(=O)N1CCOCC1)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000742601544 1073544878 /nfs/dbraw/zinc/54/48/78/1073544878.db2.gz MAAPOPCPUGVDNW-CYBMUJFWSA-N 0 0 444.535 -0.718 20 30 IBEDRN C[C@@H](CC(=O)NCCS(=O)(=O)N1CCOCC1)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000742601549 1073544926 /nfs/dbraw/zinc/54/49/26/1073544926.db2.gz MAAPOPCPUGVDNW-ZDUSSCGKSA-N 0 0 444.535 -0.718 20 30 IBEDRN CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000742631175 1073544701 /nfs/dbraw/zinc/54/47/01/1073544701.db2.gz WBTVVBLXFWSIGV-JSGCOSHPSA-N 0 0 435.506 -0.643 20 30 IBEDRN CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000742631176 1073544847 /nfs/dbraw/zinc/54/48/47/1073544847.db2.gz WBTVVBLXFWSIGV-OCCSQVGLSA-N 0 0 435.506 -0.643 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC000742633686 1073545511 /nfs/dbraw/zinc/54/55/11/1073545511.db2.gz FMTJSMWASOWYGL-HNNXBMFYSA-N 0 0 431.518 -0.603 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC000742633687 1073545364 /nfs/dbraw/zinc/54/53/64/1073545364.db2.gz FMTJSMWASOWYGL-OAHLLOKOSA-N 0 0 431.518 -0.603 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)c2cn([C@H]3CCS(=O)(=O)C3)nc2C(C)C)CC1 ZINC000742634643 1073545306 /nfs/dbraw/zinc/54/53/06/1073545306.db2.gz QMNQSQFWWQKPBU-INIZCTEOSA-N 0 0 435.550 -0.127 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)c2cn([C@@H]3CCS(=O)(=O)C3)nc2C(C)C)CC1 ZINC000742634644 1073545550 /nfs/dbraw/zinc/54/55/50/1073545550.db2.gz QMNQSQFWWQKPBU-MRXNPFEDSA-N 0 0 435.550 -0.127 20 30 IBEDRN C#CCNC(=O)CN1CCCN(C(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC000742641629 1073545406 /nfs/dbraw/zinc/54/54/06/1073545406.db2.gz LLHWCQOYICTDBZ-INIZCTEOSA-N 0 0 445.545 -0.213 20 30 IBEDRN C#CCNC(=O)CN1CCCN(C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC000742641630 1073545464 /nfs/dbraw/zinc/54/54/64/1073545464.db2.gz LLHWCQOYICTDBZ-MRXNPFEDSA-N 0 0 445.545 -0.213 20 30 IBEDRN CC(=O)N1CCN(C(=O)CCNC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC000742653666 1073546405 /nfs/dbraw/zinc/54/64/05/1073546405.db2.gz OTCOLMPCQVZLQY-AWEZNQCLSA-N 0 0 449.533 -0.299 20 30 IBEDRN CC(=O)N1CCN(C(=O)CCNC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC000742653667 1073546323 /nfs/dbraw/zinc/54/63/23/1073546323.db2.gz OTCOLMPCQVZLQY-CQSZACIVSA-N 0 0 449.533 -0.299 20 30 IBEDRN C[C@@H](CC(=O)NCC(=O)NCCN1CCOCC1)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000742662539 1073545905 /nfs/dbraw/zinc/54/59/05/1073545905.db2.gz CKOZMNQITJVWRQ-AWEZNQCLSA-N 0 0 437.522 -0.932 20 30 IBEDRN C[C@H](CC(=O)NCC(=O)NCCN1CCOCC1)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000742662540 1073545956 /nfs/dbraw/zinc/54/59/56/1073545956.db2.gz CKOZMNQITJVWRQ-CQSZACIVSA-N 0 0 437.522 -0.932 20 30 IBEDRN CCOC(=O)C(=O)N1CCN(C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC000742685457 1073546437 /nfs/dbraw/zinc/54/64/37/1073546437.db2.gz YDAFOWOVWNLJNA-CYBMUJFWSA-N 0 0 436.490 -0.262 20 30 IBEDRN CCOC(=O)C(=O)N1CCN(C(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC000742685458 1073546273 /nfs/dbraw/zinc/54/62/73/1073546273.db2.gz YDAFOWOVWNLJNA-ZDUSSCGKSA-N 0 0 436.490 -0.262 20 30 IBEDRN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)OCC(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC000742734010 1073546352 /nfs/dbraw/zinc/54/63/52/1073546352.db2.gz KOTHOUGLAADXGI-UHFFFAOYSA-N 0 0 431.493 -0.016 20 30 IBEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CN(C)CCNS(=O)(=O)c2ccc(C)cc2)c1=O ZINC000743392345 1073548218 /nfs/dbraw/zinc/54/82/18/1073548218.db2.gz IHHQRDWFYUHLJV-UHFFFAOYSA-N 0 0 449.533 -0.280 20 30 IBEDRN CS(=O)(=O)CCOCCNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000743636076 1073550016 /nfs/dbraw/zinc/55/00/16/1073550016.db2.gz FKMPRACIZVPVCV-UHFFFAOYSA-N 0 0 444.535 -0.365 20 30 IBEDRN COCCn1cc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CCOC)c2=O)cn1 ZINC000743725068 1073550535 /nfs/dbraw/zinc/55/05/35/1073550535.db2.gz BTGCQRAQGGBLFP-UHFFFAOYSA-N 0 0 433.534 -0.326 20 30 IBEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(C#N)o3)c(=O)n2CCOC)CC1 ZINC000743725169 1073550548 /nfs/dbraw/zinc/55/05/48/1073550548.db2.gz HCPSKIZZZDBNGB-UHFFFAOYSA-N 0 0 441.513 -0.312 20 30 IBEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2scnc2C)c(=O)n1CCN1CCOCC1 ZINC000743725173 1073550434 /nfs/dbraw/zinc/55/04/34/1073550434.db2.gz HEWTVQGNUVLITB-UHFFFAOYSA-N 0 0 445.570 -0.188 20 30 IBEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3scnc3C)c(=O)n2CCOC)CC1 ZINC000743725309 1073550635 /nfs/dbraw/zinc/55/06/35/1073550635.db2.gz NXIXBGORNDXSPC-UHFFFAOYSA-N 0 0 447.586 -0.012 20 30 IBEDRN COCCn1c(=O)c(=Cc2occc2C)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000743725353 1073551000 /nfs/dbraw/zinc/55/10/00/1073551000.db2.gz QGUUCEMNUWIIEB-UHFFFAOYSA-N 0 0 446.529 -0.591 20 30 IBEDRN COCCn1cc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(CCOC)c2=O)cn1 ZINC000743725376 1073551043 /nfs/dbraw/zinc/55/10/43/1073551043.db2.gz ROURBYZVCUVJKU-UHFFFAOYSA-N 0 0 445.545 -0.039 20 30 IBEDRN COCCn1cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CCOC)c2=O)cn1 ZINC000743725458 1073550594 /nfs/dbraw/zinc/55/05/94/1073550594.db2.gz SWSBAQYGQGOTCE-UHFFFAOYSA-N 0 0 431.518 -0.475 20 30 IBEDRN Cc1ncsc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(CCN2CCOCC2)c1=O ZINC000743725523 1073550655 /nfs/dbraw/zinc/55/06/55/1073550655.db2.gz UFNWASMGFLFVIJ-UHFFFAOYSA-N 0 0 445.570 -0.211 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(COC)c2)c(=O)n1CCOC ZINC000743725800 1073550998 /nfs/dbraw/zinc/55/09/98/1073550998.db2.gz ZXHBNQKJOJJDNJ-UHFFFAOYSA-N 0 0 431.514 -0.032 20 30 IBEDRN CCOCCn1c(=O)c(=Cc2cnn(CCOC)c2)sc1=C(C#N)C(=O)NC1CC1 ZINC000743726021 1073551038 /nfs/dbraw/zinc/55/10/38/1073551038.db2.gz BCNNIUAAFCPGMR-UHFFFAOYSA-N 0 0 431.518 -0.429 20 30 IBEDRN CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cnn(CCOC)c2)c(=O)n1CC(=O)N(C)C ZINC000743726059 1073550952 /nfs/dbraw/zinc/55/09/52/1073550952.db2.gz CFZVPXUHJGATHN-AWEZNQCLSA-N 0 0 445.545 -0.041 20 30 IBEDRN CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2cnn(CCOC)c2)c(=O)n1CC(=O)N(C)C ZINC000743726060 1073551011 /nfs/dbraw/zinc/55/10/11/1073551011.db2.gz CFZVPXUHJGATHN-CQSZACIVSA-N 0 0 445.545 -0.041 20 30 IBEDRN CCOCCn1c(=O)c(=Cc2cnn(CCOC)c2)sc1=C(C#N)C(=O)NC(C)C ZINC000743726109 1073550934 /nfs/dbraw/zinc/55/09/34/1073550934.db2.gz DYOLSEVJZBTIAU-UHFFFAOYSA-N 0 0 433.534 -0.183 20 30 IBEDRN COCCn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CC(=O)N(C)C)c2=O)cn1 ZINC000743726161 1073550942 /nfs/dbraw/zinc/55/09/42/1073550942.db2.gz HEPWUPLDPVMKAZ-UHFFFAOYSA-N 0 0 443.529 -0.287 20 30 IBEDRN COCCn1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C3CC3)c2=O)cn1 ZINC000743726198 1073550960 /nfs/dbraw/zinc/55/09/60/1073550960.db2.gz IJPWIFSWNCMJDY-UHFFFAOYSA-N 0 0 429.502 -0.551 20 30 IBEDRN CCn1cc(-n2c(=O)c(=Cc3cnn(CCOC)c3)sc2=C(C#N)C(=O)NC)cn1 ZINC000743726224 1073550976 /nfs/dbraw/zinc/55/09/76/1073550976.db2.gz JFKRSACKDROTMH-UHFFFAOYSA-N 0 0 427.490 -0.793 20 30 IBEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(CCOC)c2)c(=O)n1C1CC1 ZINC000743726236 1073550994 /nfs/dbraw/zinc/55/09/94/1073550994.db2.gz JSQHJHMGOFTISG-UHFFFAOYSA-N 0 0 431.518 -0.257 20 30 IBEDRN COCCn1cc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(CC(=O)N(C)C)c2=O)cn1 ZINC000743726291 1073551022 /nfs/dbraw/zinc/55/10/22/1073551022.db2.gz LQZMYJGBAYQNGG-UHFFFAOYSA-N 0 0 445.545 -0.041 20 30 IBEDRN CCOCCn1c(=O)c(=Cc2cnn(CCOC)c2)sc1=C(C#N)C(=O)N1CCCC1 ZINC000743726344 1073550972 /nfs/dbraw/zinc/55/09/72/1073550972.db2.gz NGKBVGCCKOGSLI-UHFFFAOYSA-N 0 0 445.545 -0.085 20 30 IBEDRN COCCn1cc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CC(=O)N(C)C)c2=O)cn1 ZINC000743726671 1073551403 /nfs/dbraw/zinc/55/14/03/1073551403.db2.gz SLYHGQIITKVQBY-UHFFFAOYSA-N 0 0 431.518 -0.431 20 30 IBEDRN Cc1ncsc1C=c1sc(=C(C#N)C(=O)NCCN2CCOCC2)n(C2CC2)c1=O ZINC000743726716 1073551477 /nfs/dbraw/zinc/55/14/77/1073551477.db2.gz UEALVFQWFOLRJY-UHFFFAOYSA-N 0 0 445.570 -0.039 20 30 IBEDRN CNC(=O)C(C#N)=c1sc(=Cc2cnn(CCOC)c2)c(=O)n1-c1ccccc1C#N ZINC000743726847 1073550967 /nfs/dbraw/zinc/55/09/67/1073550967.db2.gz VTHVPBKVDVMQDI-UHFFFAOYSA-N 0 0 434.481 -0.137 20 30 IBEDRN COCCn1cc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(CC(=O)N(C)C)c2=O)cn1 ZINC000743726863 1073551033 /nfs/dbraw/zinc/55/10/33/1073551033.db2.gz WGUOPUHTQHZZIO-UHFFFAOYSA-N 0 0 445.545 -0.041 20 30 IBEDRN COCCn1cc(C=c2sc(=C(C#N)C(=O)N[C@H](C)COC)n(C3CC3)c2=O)cn1 ZINC000743726875 1073551027 /nfs/dbraw/zinc/55/10/27/1073551027.db2.gz WVOZJRXVDRSVQD-CYBMUJFWSA-N 0 0 431.518 -0.258 20 30 IBEDRN COCCn1cc(C=c2sc(=C(C#N)C(=O)N[C@@H](C)COC)n(C3CC3)c2=O)cn1 ZINC000743726876 1073551527 /nfs/dbraw/zinc/55/15/27/1073551527.db2.gz WVOZJRXVDRSVQD-ZDUSSCGKSA-N 0 0 431.518 -0.258 20 30 IBEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(COC)c2)c(=O)n1CC(=O)N(C)C ZINC000743726894 1073551382 /nfs/dbraw/zinc/55/13/82/1073551382.db2.gz XWIAIXKMZHMSRR-UHFFFAOYSA-N 0 0 440.525 -0.050 20 30 IBEDRN CNC(=O)C(C#N)=c1sc(=Cc2cnn(CCOC)c2)c(=O)n1CCc1ccccn1 ZINC000743726993 1073550988 /nfs/dbraw/zinc/55/09/88/1073550988.db2.gz ZYBCTXCOHSQIQV-UHFFFAOYSA-N 0 0 438.513 -0.361 20 30 IBEDRN CCCCn1c(=O)c(=Cc2cnn(CCOC)c2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000743727642 1073551977 /nfs/dbraw/zinc/55/19/77/1073551977.db2.gz QEXLLDJZONLUAR-UHFFFAOYSA-N 0 0 445.545 -0.085 20 30 IBEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(CCOC)c2)c(=O)n1C[C@@H]1CCCO1 ZINC000743727678 1073552082 /nfs/dbraw/zinc/55/20/82/1073552082.db2.gz CLARVAIOUQMIOU-INIZCTEOSA-N 0 0 445.545 -0.039 20 30 IBEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(CCOC)c2)c(=O)n1C[C@H]1CCCO1 ZINC000743727679 1073552052 /nfs/dbraw/zinc/55/20/52/1073552052.db2.gz CLARVAIOUQMIOU-MRXNPFEDSA-N 0 0 445.545 -0.039 20 30 IBEDRN COCCn1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CC(C)C)c2=O)cn1 ZINC000743727703 1073551959 /nfs/dbraw/zinc/55/19/59/1073551959.db2.gz COJGEPHCNPFTMA-UHFFFAOYSA-N 0 0 445.545 -0.229 20 30 IBEDRN CCn1c(=O)c(=Cc2cnn(CCOC)c2)sc1=C(C#N)C(=O)N1CCSCC1 ZINC000743727796 1073552089 /nfs/dbraw/zinc/55/20/89/1073552089.db2.gz VOYTXUIHLNGUOJ-UHFFFAOYSA-N 0 0 433.559 -0.149 20 30 IBEDRN C=CCn1c(=O)c(=Cc2cnn(CCOC)c2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000743727821 1073552078 /nfs/dbraw/zinc/55/20/78/1073552078.db2.gz FAXKASOOLANRCG-UHFFFAOYSA-N 0 0 429.502 -0.699 20 30 IBEDRN CCn1c(=O)c(=Cc2cnn(CCOC)c2)sc1=C(C#N)C(=O)N1CCN(CC)CC1 ZINC000743727860 1073551940 /nfs/dbraw/zinc/55/19/40/1073551940.db2.gz VYJVIAPQEPBFNZ-UHFFFAOYSA-N 0 0 444.561 -0.560 20 30 IBEDRN CS(=O)(=O)CCn1c(=O)c(=Cc2ccc(C#N)o2)sc1=C(C#N)C(=O)N1CCCC1 ZINC000743727968 1073551539 /nfs/dbraw/zinc/55/15/39/1073551539.db2.gz HYZRWAVKZFDKQL-UHFFFAOYSA-N 0 0 446.510 -0.455 20 30 IBEDRN COCCn1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C[C@@H]3CCCO3)c2=O)cn1 ZINC000743728052 1073551438 /nfs/dbraw/zinc/55/14/38/1073551438.db2.gz FZXQTSNYLFZZAU-INIZCTEOSA-N 0 0 445.545 -0.041 20 30 IBEDRN COCCn1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C[C@H]3CCCO3)c2=O)cn1 ZINC000743728053 1073551392 /nfs/dbraw/zinc/55/13/92/1073551392.db2.gz FZXQTSNYLFZZAU-MRXNPFEDSA-N 0 0 445.545 -0.041 20 30 IBEDRN C=CCn1c(=O)c(=Cc2scnc2C)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000743728064 1073551351 /nfs/dbraw/zinc/55/13/51/1073551351.db2.gz GRSAVKBBWLVGKD-UHFFFAOYSA-N 0 0 445.570 -0.188 20 30 IBEDRN CCCn1c(=O)c(=Cc2cnn(CCOC)c2)sc1=C(C#N)C(=O)N[C@@H](C)COC ZINC000743728065 1073551364 /nfs/dbraw/zinc/55/13/64/1073551364.db2.gz GUGPUETUWUUZBK-AWEZNQCLSA-N 0 0 433.534 -0.183 20 30 IBEDRN CCCn1c(=O)c(=Cc2cnn(CCOC)c2)sc1=C(C#N)C(=O)N[C@H](C)COC ZINC000743728066 1073552015 /nfs/dbraw/zinc/55/20/15/1073552015.db2.gz GUGPUETUWUUZBK-CQSZACIVSA-N 0 0 433.534 -0.183 20 30 IBEDRN CNC(=O)C(C#N)=c1sc(=Cc2cnn(CCOC)c2)c(=O)n1-c1ccc(OC)nc1 ZINC000743728133 1073551426 /nfs/dbraw/zinc/55/14/26/1073551426.db2.gz JIFQKZJOSPDLFR-UHFFFAOYSA-N 0 0 440.485 -0.605 20 30 IBEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1CCS(C)(=O)=O ZINC000743728249 1073551514 /nfs/dbraw/zinc/55/15/14/1073551514.db2.gz MVRRXIJWRZWCLL-UHFFFAOYSA-N 0 0 434.499 -0.552 20 30 IBEDRN COCCn1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@@H]3CCCO3)c2=O)cn1 ZINC000743728335 1073551550 /nfs/dbraw/zinc/55/15/50/1073551550.db2.gz JHLZNCXOFHMIIG-INIZCTEOSA-N 0 0 443.529 -0.287 20 30 IBEDRN COCCn1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@H]3CCCO3)c2=O)cn1 ZINC000743728336 1073551469 /nfs/dbraw/zinc/55/14/69/1073551469.db2.gz JHLZNCXOFHMIIG-MRXNPFEDSA-N 0 0 443.529 -0.287 20 30 IBEDRN C#Cc1cccc(-n2c(=O)c(=Cc3cnn(CCOC)c3)sc2=C(C#N)C(=O)NC)c1 ZINC000743728341 1073551450 /nfs/dbraw/zinc/55/14/50/1073551450.db2.gz NVIOGHMIYQXMHR-UHFFFAOYSA-N 0 0 433.493 -0.028 20 30 IBEDRN COCCn1cc(C=c2sc(=C(C#N)C(=O)CC(C)(C)C)n(CC(N)=O)c2=O)cn1 ZINC000743728360 1073551558 /nfs/dbraw/zinc/55/15/58/1073551558.db2.gz OMNFIOVTWZQMTJ-UHFFFAOYSA-N 0 0 431.518 -0.254 20 30 IBEDRN CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1CCS(C)(=O)=O ZINC000743728386 1073551414 /nfs/dbraw/zinc/55/14/14/1073551414.db2.gz PDEOASUVZYIPMR-UHFFFAOYSA-N 0 0 448.526 -0.306 20 30 IBEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1CCS(C)(=O)=O ZINC000743728388 1073551500 /nfs/dbraw/zinc/55/15/00/1073551500.db2.gz PEQOKZMLZJXKET-UHFFFAOYSA-N 0 0 448.526 -0.162 20 30 IBEDRN COCCn1cc(C=c2sc(=C(C#N)C(=O)c3ccccc3)n(CC(N)=O)c2=O)cn1 ZINC000743728433 1073551488 /nfs/dbraw/zinc/55/14/88/1073551488.db2.gz QTGDRXJILZSABZ-UHFFFAOYSA-N 0 0 437.481 -0.376 20 30 IBEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(CCOC)c2)c(=O)n1C[C@@H]1CCCO1 ZINC000743728536 1073551372 /nfs/dbraw/zinc/55/13/72/1073551372.db2.gz LOSRIHWHRQOZKE-INIZCTEOSA-N 0 0 443.529 -0.263 20 30 IBEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(CCOC)c2)c(=O)n1C[C@H]1CCCO1 ZINC000743728537 1073551461 /nfs/dbraw/zinc/55/14/61/1073551461.db2.gz LOSRIHWHRQOZKE-MRXNPFEDSA-N 0 0 443.529 -0.263 20 30 IBEDRN CCC(CC)C(=O)C(C#N)=c1sc(=Cc2cnn(CCOC)c2)c(=O)n1CC(N)=O ZINC000743728599 1073551925 /nfs/dbraw/zinc/55/19/25/1073551925.db2.gz UBUQOTJRDARRIM-UHFFFAOYSA-N 0 0 431.518 -0.254 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cnn(CCOC)c2)c(=O)n1CC(C)C ZINC000743728714 1073551999 /nfs/dbraw/zinc/55/19/99/1073551999.db2.gz OVSRKGACMBFOBR-UHFFFAOYSA-N 0 0 433.534 -0.326 20 30 IBEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1CCS(C)(=O)=O ZINC000743728715 1073552007 /nfs/dbraw/zinc/55/20/07/1073552007.db2.gz VLDAKLKCBFGCGH-UHFFFAOYSA-N 0 0 434.499 -0.553 20 30 IBEDRN CNC(=O)C(C#N)=c1sc(=Cc2cnn(CCOC)c2)c(=O)n1CCc1cccnc1 ZINC000743728764 1073551897 /nfs/dbraw/zinc/55/18/97/1073551897.db2.gz WRHDCNJJWAGWPA-UHFFFAOYSA-N 0 0 438.513 -0.361 20 30 IBEDRN C=CCn1c(=O)c(=Cc2cnn(CCOC)c2)sc1=C(C#N)C(=O)N[C@@H](C)COC ZINC000743728859 1073551916 /nfs/dbraw/zinc/55/19/16/1073551916.db2.gz QLHLMTIJCXEVPY-AWEZNQCLSA-N 0 0 431.518 -0.407 20 30 IBEDRN C=CCn1c(=O)c(=Cc2cnn(CCOC)c2)sc1=C(C#N)C(=O)N[C@H](C)COC ZINC000743728864 1073551988 /nfs/dbraw/zinc/55/19/88/1073551988.db2.gz QLHLMTIJCXEVPY-CQSZACIVSA-N 0 0 431.518 -0.407 20 30 IBEDRN CCCn1c(=O)c(=Cc2cnn(CCOC)c2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000743729402 1073552042 /nfs/dbraw/zinc/55/20/42/1073552042.db2.gz ZPZDSOSESQXLRY-UHFFFAOYSA-N 0 0 431.518 -0.475 20 30 IBEDRN Cn1cnc2c1c(=O)n(CC(=O)Nc1ccc(N3CCC(O)CC3)c(C#N)c1)c(=O)n2C ZINC000743733055 1073550618 /nfs/dbraw/zinc/55/06/18/1073550618.db2.gz DRQIPQMZLPJLLQ-UHFFFAOYSA-N 0 0 437.460 -0.095 20 30 IBEDRN Cn1c2ncn(CC(=O)Nc3ccc(N4CCC(O)CC4)c(C#N)c3)c2c(=O)n(C)c1=O ZINC000743733785 1073551016 /nfs/dbraw/zinc/55/10/16/1073551016.db2.gz YYVPZJDIEMVUFB-UHFFFAOYSA-N 0 0 437.460 -0.095 20 30 IBEDRN CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NCCNc1ccc(C#N)cn1)CC2 ZINC000743884703 1073552506 /nfs/dbraw/zinc/55/25/06/1073552506.db2.gz TZFRBNMGZBSBOZ-UHFFFAOYSA-N 0 0 428.474 -0.021 20 30 IBEDRN C#CCOc1cc(F)ccc1NC(=O)C(=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000743885837 1073552998 /nfs/dbraw/zinc/55/29/98/1073552998.db2.gz BMLIFQSKYHDPCE-CYBMUJFWSA-N 0 0 425.438 -0.414 20 30 IBEDRN C#CCOc1cc(F)ccc1NC(=O)C(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000743885838 1073553159 /nfs/dbraw/zinc/55/31/59/1073553159.db2.gz BMLIFQSKYHDPCE-ZDUSSCGKSA-N 0 0 425.438 -0.414 20 30 IBEDRN C#CCOc1ccc(F)cc1NC(=O)C(=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000743886198 1073553182 /nfs/dbraw/zinc/55/31/82/1073553182.db2.gz MDKJXRNVTDNSBR-CYBMUJFWSA-N 0 0 425.438 -0.414 20 30 IBEDRN C#CCOc1ccc(F)cc1NC(=O)C(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000743886199 1073552903 /nfs/dbraw/zinc/55/29/03/1073552903.db2.gz MDKJXRNVTDNSBR-ZDUSSCGKSA-N 0 0 425.438 -0.414 20 30 IBEDRN C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000743889559 1073553152 /nfs/dbraw/zinc/55/31/52/1073553152.db2.gz PRTMDCVAGRCFBW-UHFFFAOYSA-N 0 0 432.452 -0.221 20 30 IBEDRN C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000743889824 1073552930 /nfs/dbraw/zinc/55/29/30/1073552930.db2.gz APWLCYVOPZWYDO-UHFFFAOYSA-N 0 0 446.435 -0.694 20 30 IBEDRN C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000743889951 1073553687 /nfs/dbraw/zinc/55/36/87/1073553687.db2.gz UURUYLYQIGDFCR-UHFFFAOYSA-N 0 0 432.452 -0.221 20 30 IBEDRN C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000743890582 1073553203 /nfs/dbraw/zinc/55/32/03/1073553203.db2.gz OISFAUZRULXFMA-UHFFFAOYSA-N 0 0 446.435 -0.694 20 30 IBEDRN CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NCCNc1ncccc1C#N)CC2 ZINC000743896320 1073553637 /nfs/dbraw/zinc/55/36/37/1073553637.db2.gz HKNKXBFWLBZTRX-UHFFFAOYSA-N 0 0 428.474 -0.021 20 30 IBEDRN C#CCNC(=O)C1CCN(C(=O)C(=O)N2CCc3ccc(S(=O)(=O)NC)cc32)CC1 ZINC000743900372 1073553562 /nfs/dbraw/zinc/55/35/62/1073553562.db2.gz IBEWUGCJHOTOFR-UHFFFAOYSA-N 0 0 432.502 -0.528 20 30 IBEDRN C#CCNC(=O)C1CCN(C(=O)C(=O)N2CCc3ccc(S(=O)(=O)NCC)cc32)CC1 ZINC000743900867 1073553601 /nfs/dbraw/zinc/55/36/01/1073553601.db2.gz UHAQWSHWHGXRCR-UHFFFAOYSA-N 0 0 446.529 -0.138 20 30 IBEDRN C#CCOc1ccc(F)cc1NC(=O)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000743914345 1073553705 /nfs/dbraw/zinc/55/37/05/1073553705.db2.gz NWSGWFCNTXQCRR-UHFFFAOYSA-N 0 0 426.470 -0.530 20 30 IBEDRN C#CCOc1cc(F)ccc1NC(=O)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000743914991 1073644213 /nfs/dbraw/zinc/64/42/13/1073644213.db2.gz SBDHDCTWGRMEEC-UHFFFAOYSA-N 0 0 426.470 -0.530 20 30 IBEDRN C[C@H](CC(=O)OCCN(C)S(=O)(=O)N(C)C)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000744120510 1073557504 /nfs/dbraw/zinc/55/75/04/1073557504.db2.gz KBSVKONTVHAWLP-GFCCVEGCSA-N 0 0 432.524 -0.215 20 30 IBEDRN C[C@@H](CC(=O)OCCN(C)S(=O)(=O)N(C)C)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000744120511 1073557413 /nfs/dbraw/zinc/55/74/13/1073557413.db2.gz KBSVKONTVHAWLP-LBPRGKRZSA-N 0 0 432.524 -0.215 20 30 IBEDRN C#CCCN1CCN(C(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccccc2)CC1 ZINC000744371275 1073560526 /nfs/dbraw/zinc/56/05/26/1073560526.db2.gz QILHQTMOIZLWDF-GOSISDBHSA-N 0 0 441.575 -0.064 20 30 IBEDRN C#CCCN1CCN(C(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccccc2)CC1 ZINC000744371276 1073560458 /nfs/dbraw/zinc/56/04/58/1073560458.db2.gz QILHQTMOIZLWDF-SFHVURJKSA-N 0 0 441.575 -0.064 20 30 IBEDRN C#CCN(CC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 ZINC000744398934 1073560478 /nfs/dbraw/zinc/56/04/78/1073560478.db2.gz UCLOYFDFTANMCB-BBWFWOEESA-N 0 0 432.564 -0.697 20 30 IBEDRN C#CCN(CC(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000744398936 1073561172 /nfs/dbraw/zinc/56/11/72/1073561172.db2.gz UCLOYFDFTANMCB-IKGGRYGDSA-N 0 0 432.564 -0.697 20 30 IBEDRN C#CCN(CC(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 ZINC000744398938 1073560958 /nfs/dbraw/zinc/56/09/58/1073560958.db2.gz UCLOYFDFTANMCB-ULQDDVLXSA-N 0 0 432.564 -0.697 20 30 IBEDRN C#CCN(CC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000744398940 1073561185 /nfs/dbraw/zinc/56/11/85/1073561185.db2.gz UCLOYFDFTANMCB-ZACQAIPSSA-N 0 0 432.564 -0.697 20 30 IBEDRN Cn1cc(S(=O)(=O)NCCOC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cn1 ZINC000744460279 1073562227 /nfs/dbraw/zinc/56/22/27/1073562227.db2.gz MALNICMCZRJEPM-UHFFFAOYSA-N 0 0 427.464 -0.908 20 30 IBEDRN Cn1cc(S(=O)(=O)NCCOC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)cn1 ZINC000744461213 1073562281 /nfs/dbraw/zinc/56/22/81/1073562281.db2.gz XLIIFOPOVQMCKA-UHFFFAOYSA-N 0 0 441.491 -0.630 20 30 IBEDRN CCOC(=O)c1cnn(C)c1NC(=O)COC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 ZINC000744496093 1073562749 /nfs/dbraw/zinc/56/27/49/1073562749.db2.gz WDNCEXNICDBDTQ-UHFFFAOYSA-N 0 0 449.445 -0.183 20 30 IBEDRN Cn1cc(S(=O)(=O)NCCOC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)cn1 ZINC000744573292 1073563840 /nfs/dbraw/zinc/56/38/40/1073563840.db2.gz ZGKMSPFNWIUCAY-UHFFFAOYSA-N 0 0 441.491 -0.253 20 30 IBEDRN C#CCNS(=O)(=O)c1cccc(C(=O)OCCNS(=O)(=O)c2cnn(C)c2)c1 ZINC000744600307 1073564523 /nfs/dbraw/zinc/56/45/23/1073564523.db2.gz DAWCPIAJTHUEKH-UHFFFAOYSA-N 0 0 426.476 -0.533 20 30 IBEDRN CCOC(=O)c1cnn(C)c1NC(=O)COC(=O)CNS(=O)(=O)c1ccccc1C#N ZINC000744617684 1073564552 /nfs/dbraw/zinc/56/45/52/1073564552.db2.gz OCQLUBNBYQRMKA-UHFFFAOYSA-N 0 0 449.445 -0.071 20 30 IBEDRN Cn1cc(S(=O)(=O)NCCOC(=O)CNS(=O)(=O)c2ccccc2C#N)cn1 ZINC000744618206 1073564598 /nfs/dbraw/zinc/56/45/98/1073564598.db2.gz SFLDIYOPSXDBJT-UHFFFAOYSA-N 0 0 427.464 -0.908 20 30 IBEDRN C[C@H](CC(=O)NC[C@@H]1CCC[C@]12NC(=O)NC2=O)N=C1NS(=O)(=O)c2ccccc21 ZINC000744624629 1073565063 /nfs/dbraw/zinc/56/50/63/1073565063.db2.gz JKJJMCZVUFDDCU-UFYHVXEKSA-N 0 0 433.490 -0.002 20 30 IBEDRN C[C@H](CC(=O)NC[C@@H]1CCC[C@@]12NC(=O)NC2=O)N=C1NS(=O)(=O)c2ccccc21 ZINC000744624631 1073565092 /nfs/dbraw/zinc/56/50/92/1073565092.db2.gz JKJJMCZVUFDDCU-UYSIFFEZSA-N 0 0 433.490 -0.002 20 30 IBEDRN O=C(CCCN=C1NS(=O)(=O)c2ccccc21)NC[C@@H]1CCC[C@]12NC(=O)NC2=O ZINC000744626507 1073565174 /nfs/dbraw/zinc/56/51/74/1073565174.db2.gz HMOCOYQDHUMCED-BUXKBTBVSA-N 0 0 433.490 0.000 20 30 IBEDRN O=C(CCCN=C1NS(=O)(=O)c2ccccc21)NC[C@@H]1CCC[C@@]12NC(=O)NC2=O ZINC000744626509 1073564959 /nfs/dbraw/zinc/56/49/59/1073564959.db2.gz HMOCOYQDHUMCED-HXPMCKFVSA-N 0 0 433.490 0.000 20 30 IBEDRN C#CCNS(=O)(=O)c1ccc(C(=O)OCCNS(=O)(=O)c2cnn(C)c2)cc1 ZINC000744633332 1073565582 /nfs/dbraw/zinc/56/55/82/1073565582.db2.gz KTOWIGLSIWSCHF-UHFFFAOYSA-N 0 0 426.476 -0.533 20 30 IBEDRN Cn1ccnc(N2CCN(C(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)CC2)c1=O ZINC000744678476 1073566279 /nfs/dbraw/zinc/56/62/79/1073566279.db2.gz ABWJPTUDSSUOJR-UHFFFAOYSA-N 0 0 430.490 -0.442 20 30 IBEDRN C[C@@H](CC(=O)N1CCN(c2nccn(C)c2=O)CC1)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000744679192 1073566074 /nfs/dbraw/zinc/56/60/74/1073566074.db2.gz PCJQZFRRUSOIGQ-AWEZNQCLSA-N 0 0 444.517 -0.054 20 30 IBEDRN C[C@H](CC(=O)N1CCN(c2nccn(C)c2=O)CC1)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000744679193 1073566336 /nfs/dbraw/zinc/56/63/36/1073566336.db2.gz PCJQZFRRUSOIGQ-CQSZACIVSA-N 0 0 444.517 -0.054 20 30 IBEDRN Cn1ccnc(N2CCN(C(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)CC2)c1=O ZINC000744680983 1073565680 /nfs/dbraw/zinc/56/56/80/1073565680.db2.gz DKSHWVMYPHLNJN-UHFFFAOYSA-N 0 0 444.517 -0.052 20 30 IBEDRN Cn1cc(S(=O)(=O)NCCOC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)cn1 ZINC000744788792 1073567276 /nfs/dbraw/zinc/56/72/76/1073567276.db2.gz RJNOICQUFDQGIK-UHFFFAOYSA-N 0 0 426.476 -0.272 20 30 IBEDRN Cc1c(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)nnn1C ZINC000745161304 1073571268 /nfs/dbraw/zinc/57/12/68/1073571268.db2.gz BQMGDXMFRRDERE-UHFFFAOYSA-N 0 0 432.462 -0.315 20 30 IBEDRN Cn1c(CN=Nc2ccccc2S(=O)(=O)N2CCOCC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000745200542 1073571963 /nfs/dbraw/zinc/57/19/63/1073571963.db2.gz HYVKONJHZSTQRZ-UHFFFAOYSA-N 0 0 447.477 -0.161 20 30 IBEDRN C=CCNC(=O)NC(=O)[C@H](C)OC(=O)CNS(=O)(=O)c1ccc(CNC(C)=O)s1 ZINC000745244996 1073571925 /nfs/dbraw/zinc/57/19/25/1073571925.db2.gz RSGCEEGLZDQMJE-JTQLQIEISA-N 0 0 446.507 -0.394 20 30 IBEDRN C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c1ccc(CNC(C)=O)s1 ZINC000745244998 1073572027 /nfs/dbraw/zinc/57/20/27/1073572027.db2.gz RSGCEEGLZDQMJE-SNVBAGLBSA-N 0 0 446.507 -0.394 20 30 IBEDRN C=CCNC(=O)NC(=O)COC(=O)CNS(=O)(=O)c1ccc(CNC(C)=O)s1 ZINC000745245072 1073571909 /nfs/dbraw/zinc/57/19/09/1073571909.db2.gz UEKIJZFYFBRDBQ-UHFFFAOYSA-N 0 0 432.480 -0.783 20 30 IBEDRN CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)O[C@H](C)C(=O)N(C)CCC#N)s1 ZINC000745251176 1073573006 /nfs/dbraw/zinc/57/30/06/1073573006.db2.gz SSZAPROXHIFRNX-LLVKDONJSA-N 0 0 430.508 -0.034 20 30 IBEDRN CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)O[C@@H](C)C(=O)N(C)CCC#N)s1 ZINC000745251178 1073572878 /nfs/dbraw/zinc/57/28/78/1073572878.db2.gz SSZAPROXHIFRNX-NSHDSACASA-N 0 0 430.508 -0.034 20 30 IBEDRN CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N(C)C(C)(C)C#N)s1 ZINC000745251234 1073573125 /nfs/dbraw/zinc/57/31/25/1073573125.db2.gz UEDPKJAYKOARDE-UHFFFAOYSA-N 0 0 430.508 -0.034 20 30 IBEDRN COC[C@@](C)(O)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000745315492 1073573582 /nfs/dbraw/zinc/57/35/82/1073573582.db2.gz HZNRCDVCSPBORG-GOSISDBHSA-N 0 0 425.463 -0.668 20 30 IBEDRN COC[C@](C)(O)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000745315493 1073573641 /nfs/dbraw/zinc/57/36/41/1073573641.db2.gz HZNRCDVCSPBORG-SFHVURJKSA-N 0 0 425.463 -0.668 20 30 IBEDRN C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@@H](CCC(N)=O)N1C(=O)c2ccccc2C1=O ZINC000745386712 1073575609 /nfs/dbraw/zinc/57/56/09/1073575609.db2.gz IUESDSPHIYAHFQ-BXUZGUMPSA-N 0 0 430.417 -0.140 20 30 IBEDRN C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@H](CCC(N)=O)N1C(=O)c2ccccc2C1=O ZINC000745386714 1073575969 /nfs/dbraw/zinc/57/59/69/1073575969.db2.gz IUESDSPHIYAHFQ-FZMZJTMJSA-N 0 0 430.417 -0.140 20 30 IBEDRN C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@H](CCC(N)=O)N1C(=O)c2ccccc2C1=O ZINC000745386716 1073575931 /nfs/dbraw/zinc/57/59/31/1073575931.db2.gz IUESDSPHIYAHFQ-RISCZKNCSA-N 0 0 430.417 -0.140 20 30 IBEDRN C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@@H](CCC(N)=O)N1C(=O)c2ccccc2C1=O ZINC000745386718 1073575907 /nfs/dbraw/zinc/57/59/07/1073575907.db2.gz IUESDSPHIYAHFQ-SMDDNHRTSA-N 0 0 430.417 -0.140 20 30 IBEDRN CC(=O)N1CCN(C(=O)COC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC000745494668 1073578095 /nfs/dbraw/zinc/57/80/95/1073578095.db2.gz AFCQBCJQFABLHI-CYBMUJFWSA-N 0 0 436.490 -0.262 20 30 IBEDRN CC(=O)N1CCN(C(=O)COC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC000745494669 1073578373 /nfs/dbraw/zinc/57/83/73/1073578373.db2.gz AFCQBCJQFABLHI-ZDUSSCGKSA-N 0 0 436.490 -0.262 20 30 IBEDRN C[C@H](CC(=O)OCC(=O)NCC(=O)N1CCCC1)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000745495463 1073578347 /nfs/dbraw/zinc/57/83/47/1073578347.db2.gz GVPBUKDHJDIBKX-CYBMUJFWSA-N 0 0 436.490 -0.215 20 30 IBEDRN C[C@@H](CC(=O)OCC(=O)NCC(=O)N1CCCC1)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000745495470 1073578264 /nfs/dbraw/zinc/57/82/64/1073578264.db2.gz GVPBUKDHJDIBKX-ZDUSSCGKSA-N 0 0 436.490 -0.215 20 30 IBEDRN C[C@H](CC(=O)OCC(=O)N1CCCC[C@H]1C(N)=O)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000745497958 1073578222 /nfs/dbraw/zinc/57/82/22/1073578222.db2.gz YWHAOKUWIYJDRG-OCCSQVGLSA-N 0 0 436.490 -0.087 20 30 IBEDRN C[C@H](CC(=O)OCC(=O)N1CCCC[C@@H]1C(N)=O)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000745497959 1073578412 /nfs/dbraw/zinc/57/84/12/1073578412.db2.gz YWHAOKUWIYJDRG-TZMCWYRMSA-N 0 0 436.490 -0.087 20 30 IBEDRN COC[C@H](C)NC(=O)NC(=O)COC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000745498717 1073578189 /nfs/dbraw/zinc/57/81/89/1073578189.db2.gz ZZLCKAQLJLVHJI-NEPJUHHUSA-N 0 0 440.478 -0.092 20 30 IBEDRN COC[C@H](C)NC(=O)NC(=O)COC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000745498719 1073578120 /nfs/dbraw/zinc/57/81/20/1073578120.db2.gz ZZLCKAQLJLVHJI-RYUDHWBXSA-N 0 0 440.478 -0.092 20 30 IBEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@H](NC(=O)C(C)(C)C)[C@H](C)O)CC2)o1 ZINC000745699441 1073579811 /nfs/dbraw/zinc/57/98/11/1073579811.db2.gz RVGUZBSSABTXIA-BLLLJJGKSA-N 0 0 435.481 -0.042 20 30 IBEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@@H](NC(=O)C(C)(C)C)[C@H](C)O)CC2)o1 ZINC000745699442 1073579879 /nfs/dbraw/zinc/57/98/79/1073579879.db2.gz RVGUZBSSABTXIA-LRDDRELGSA-N 0 0 435.481 -0.042 20 30 IBEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@H](NC(=O)C(C)(C)C)[C@@H](C)O)CC2)o1 ZINC000745699443 1073579693 /nfs/dbraw/zinc/57/96/93/1073579693.db2.gz RVGUZBSSABTXIA-MLGOLLRUSA-N 0 0 435.481 -0.042 20 30 IBEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@@H](NC(=O)C(C)(C)C)[C@@H](C)O)CC2)o1 ZINC000745699444 1073579743 /nfs/dbraw/zinc/57/97/43/1073579743.db2.gz RVGUZBSSABTXIA-WBMJQRKESA-N 0 0 435.481 -0.042 20 30 IBEDRN C#CCNC(=O)CN1CCCN(C(=O)c2c(C)cc(=O)n(CC(=O)NC(C)C)c2C)CC1 ZINC000746019509 1073582351 /nfs/dbraw/zinc/58/23/51/1073582351.db2.gz MDVCORCIAVXHLV-UHFFFAOYSA-N 0 0 443.548 -0.113 20 30 IBEDRN C#CCN(C(=O)CNS(=O)(=O)c1ccc(C(=O)OCC)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000746150663 1073583938 /nfs/dbraw/zinc/58/39/38/1073583938.db2.gz ADIJXKMDHHGFPL-HNNXBMFYSA-N 0 0 442.515 -0.210 20 30 IBEDRN C#CCN(C(=O)CNS(=O)(=O)c1ccc(C(=O)OCC)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000746150665 1073583776 /nfs/dbraw/zinc/58/37/76/1073583776.db2.gz ADIJXKMDHHGFPL-OAHLLOKOSA-N 0 0 442.515 -0.210 20 30 IBEDRN C#CCN(C(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000746151977 1073584357 /nfs/dbraw/zinc/58/43/57/1073584357.db2.gz NTQIQKXJFRYTHM-DZGCQCFKSA-N 0 0 439.515 -0.664 20 30 IBEDRN C#CCN(C(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1)[C@H]1CCS(=O)(=O)C1 ZINC000746151978 1073584274 /nfs/dbraw/zinc/58/42/74/1073584274.db2.gz NTQIQKXJFRYTHM-HIFRSBDPSA-N 0 0 439.515 -0.664 20 30 IBEDRN C#CCN(C(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000746151979 1073584379 /nfs/dbraw/zinc/58/43/79/1073584379.db2.gz NTQIQKXJFRYTHM-UKRRQHHQSA-N 0 0 439.515 -0.664 20 30 IBEDRN C#CCN(C(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1)[C@H]1CCS(=O)(=O)C1 ZINC000746151980 1073584321 /nfs/dbraw/zinc/58/43/21/1073584321.db2.gz NTQIQKXJFRYTHM-ZFWWWQNUSA-N 0 0 439.515 -0.664 20 30 IBEDRN C#CCNC(=O)C1CCN(C(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)CC1 ZINC000746187235 1073584607 /nfs/dbraw/zinc/58/46/07/1073584607.db2.gz ITMKCABRVLWSEE-HNNXBMFYSA-N 0 0 432.502 -0.325 20 30 IBEDRN C#CCNC(=O)C1CCN(C(=O)[C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)CC1 ZINC000746187236 1073584805 /nfs/dbraw/zinc/58/48/05/1073584805.db2.gz ITMKCABRVLWSEE-OAHLLOKOSA-N 0 0 432.502 -0.325 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)c2ccc(F)c(S(=O)(=O)Cc3ncon3)c2)CC1 ZINC000746215755 1073585419 /nfs/dbraw/zinc/58/54/19/1073585419.db2.gz OLIDVKYZIPSPKR-UHFFFAOYSA-N 0 0 449.464 -0.310 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)c2c(C)cc(=O)n(CC(=O)NC(C)C)c2C)CC1 ZINC000746215805 1073585265 /nfs/dbraw/zinc/58/52/65/1073585265.db2.gz QBXWYUCHVFQSRE-UHFFFAOYSA-N 0 0 429.521 -0.503 20 30 IBEDRN CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)s1 ZINC000746246320 1073585894 /nfs/dbraw/zinc/58/58/94/1073585894.db2.gz CIBYQFMMMOTGFU-AWEZNQCLSA-N 0 0 425.536 -0.139 20 30 IBEDRN CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)N2CCN(C3CC3)[C@H](C#N)C2)s1 ZINC000746246321 1073585720 /nfs/dbraw/zinc/58/57/20/1073585720.db2.gz CIBYQFMMMOTGFU-CQSZACIVSA-N 0 0 425.536 -0.139 20 30 IBEDRN O=C(NO)c1ccc(CNC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)cc1 ZINC000746268847 1073586404 /nfs/dbraw/zinc/58/64/04/1073586404.db2.gz HYQLPFGWNGYJBS-UHFFFAOYSA-N 0 0 432.458 -0.144 20 30 IBEDRN O=C(NO)c1ccc(CNC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)cc1 ZINC000746269615 1073586446 /nfs/dbraw/zinc/58/64/46/1073586446.db2.gz XELMFRRUVPFKAP-UHFFFAOYSA-N 0 0 432.458 -0.144 20 30 IBEDRN C#Cc1cccc(N(CC(=O)NC)C(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)c1 ZINC000746276247 1073586303 /nfs/dbraw/zinc/58/63/03/1073586303.db2.gz XCONXBKWOXSUAJ-INIZCTEOSA-N 0 0 430.486 -0.088 20 30 IBEDRN C#Cc1cccc(N(CC(=O)NC)C(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)c1 ZINC000746276248 1073586419 /nfs/dbraw/zinc/58/64/19/1073586419.db2.gz XCONXBKWOXSUAJ-MRXNPFEDSA-N 0 0 430.486 -0.088 20 30 IBEDRN COc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3cnn(CC#N)c3)CC2)cc1 ZINC000746363490 1073588353 /nfs/dbraw/zinc/58/83/53/1073588353.db2.gz ZIFCJMPYFMAKQM-UHFFFAOYSA-N 0 0 432.462 -0.113 20 30 IBEDRN CCN(CC)S(=O)(=O)N1CCN(C(=O)C(=O)Nc2cc(C)nn2CCC#N)CC1 ZINC000746364364 1073588152 /nfs/dbraw/zinc/58/81/52/1073588152.db2.gz BCSVFAVSZGNBPF-UHFFFAOYSA-N 0 0 425.515 -0.226 20 30 IBEDRN N#CCn1cc(NC(=O)C(=O)N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)cn1 ZINC000746364545 1073588114 /nfs/dbraw/zinc/58/81/14/1073588114.db2.gz SBWFVWGZBWYJOG-UHFFFAOYSA-N 0 0 427.446 -0.362 20 30 IBEDRN CN(C1CCCCC1)S(=O)(=O)N1CCN(C(=O)C(=O)Nc2cnn(CC#N)c2)CC1 ZINC000746365359 1073588369 /nfs/dbraw/zinc/58/83/69/1073588369.db2.gz OHUKYXFQKHBXSX-UHFFFAOYSA-N 0 0 437.526 -0.001 20 30 IBEDRN N#CCn1cc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cn1 ZINC000746365693 1073588441 /nfs/dbraw/zinc/58/84/41/1073588441.db2.gz PXBZKDDAXPXUCE-UHFFFAOYSA-N 0 0 427.446 -0.250 20 30 IBEDRN N#CCn1cc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3c[nH]c4ncccc34)CC2)cn1 ZINC000746373122 1073588391 /nfs/dbraw/zinc/58/83/91/1073588391.db2.gz XBEUKYZWFQTHIW-UHFFFAOYSA-N 0 0 442.461 -0.245 20 30 IBEDRN CNS(=O)(=O)c1ccccc1N1CCN(C(=O)C(=O)Nc2cnn(CC#N)c2)CC1 ZINC000746397117 1073589718 /nfs/dbraw/zinc/58/97/18/1073589718.db2.gz ZSCKDBFYTIIUBU-UHFFFAOYSA-N 0 0 431.478 -0.398 20 30 IBEDRN C#CCN1CCN(C(=O)CN2CCN(S(=O)(=O)c3cccc4nsnc43)CC2)CC1 ZINC000746492759 1073631400 /nfs/dbraw/zinc/63/14/00/1073631400.db2.gz AKSIBUJHYYLLFN-UHFFFAOYSA-N 0 0 448.574 -0.225 20 30 IBEDRN C=CCNC(=O)NC(=O)CN1CC(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000746493090 1073629855 /nfs/dbraw/zinc/62/98/55/1073629855.db2.gz MZZXUDRWEPKBAG-UHFFFAOYSA-N 0 0 445.542 -0.435 20 30 IBEDRN C#CCN1CCN(C(=O)CN2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000746493368 1073635013 /nfs/dbraw/zinc/63/50/13/1073635013.db2.gz KUGOUCUMAJOTCI-UHFFFAOYSA-N 0 0 435.506 -0.322 20 30 IBEDRN C#CCN1CCN(C(=O)CN2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000746494753 1073635716 /nfs/dbraw/zinc/63/57/16/1073635716.db2.gz TXKUHYCXJCDYPS-UHFFFAOYSA-N 0 0 435.506 -0.322 20 30 IBEDRN C#CCN1CCN(C(=O)CN2CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)CC2)CC1 ZINC000746499509 1073661494 /nfs/dbraw/zinc/66/14/94/1073661494.db2.gz MFRJMQPGGPKFDB-UHFFFAOYSA-N 0 0 449.533 -0.013 20 30 IBEDRN C#CCN1CCN(C(=O)CN2CCN(S(=O)(=O)c3ccc(C(C)=O)cc3)CC2)CC1 ZINC000746500630 1073661675 /nfs/dbraw/zinc/66/16/75/1073661675.db2.gz YMTXZXHTGLSCET-UHFFFAOYSA-N 0 0 432.546 -0.027 20 30 IBEDRN N#Cc1ccc(CNC(=O)COC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1 ZINC000746530265 1073689636 /nfs/dbraw/zinc/68/96/36/1073689636.db2.gz IDWRGKMNPGVTNW-HNNXBMFYSA-N 0 0 432.458 -0.117 20 30 IBEDRN N#Cc1ccc(CNC(=O)COC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1 ZINC000746530294 1073689688 /nfs/dbraw/zinc/68/96/88/1073689688.db2.gz IDWRGKMNPGVTNW-OAHLLOKOSA-N 0 0 432.458 -0.117 20 30 IBEDRN N#Cc1cccc(CNC(=O)COC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)c1 ZINC000746532898 1073691379 /nfs/dbraw/zinc/69/13/79/1073691379.db2.gz WNSVTFRYFPLMMS-HNNXBMFYSA-N 0 0 432.458 -0.117 20 30 IBEDRN N#Cc1cccc(CNC(=O)COC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)c1 ZINC000746532900 1073691412 /nfs/dbraw/zinc/69/14/12/1073691412.db2.gz WNSVTFRYFPLMMS-OAHLLOKOSA-N 0 0 432.458 -0.117 20 30 IBEDRN C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(OCc3ncnn3C)cc2)CC1 ZINC000746658913 1073739506 /nfs/dbraw/zinc/73/95/06/1073739506.db2.gz XXMJFQWJPZRZIZ-UHFFFAOYSA-N 0 0 432.506 -0.550 20 30 IBEDRN C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc(OCc3ncnn3C)cc2)CC1 ZINC000746668470 1073742351 /nfs/dbraw/zinc/74/23/51/1073742351.db2.gz JMMVWECSUAVNGD-UHFFFAOYSA-N 0 0 446.533 -0.160 20 30 IBEDRN N#CCCn1ccc(NC(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)n1 ZINC000746726247 1073760991 /nfs/dbraw/zinc/76/09/91/1073760991.db2.gz PRXWQSCWTFRCCG-CYBMUJFWSA-N 0 0 430.512 -0.537 20 30 IBEDRN N#CCCn1ccc(NC(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)n1 ZINC000746726248 1073761840 /nfs/dbraw/zinc/76/18/40/1073761840.db2.gz PRXWQSCWTFRCCG-ZDUSSCGKSA-N 0 0 430.512 -0.537 20 30 IBEDRN CCOCCOCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000746738986 1073767724 /nfs/dbraw/zinc/76/77/24/1073767724.db2.gz BSSCOVKDUYRVCW-UHFFFAOYSA-N 0 0 439.490 -0.013 20 30 IBEDRN COc1ccc(CNC(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)cc1C#N ZINC000746782039 1073776178 /nfs/dbraw/zinc/77/61/78/1073776178.db2.gz RIFVTJVUMSSBEN-UHFFFAOYSA-N 0 0 436.538 -0.114 20 30 IBEDRN C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC000746787841 1073777169 /nfs/dbraw/zinc/77/71/69/1073777169.db2.gz JSRXZWCRGDXCMT-UHFFFAOYSA-N 0 0 444.419 -0.404 20 30 IBEDRN C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC000746788177 1073776578 /nfs/dbraw/zinc/77/65/78/1073776578.db2.gz NWHNDDHPPSLSEK-UHFFFAOYSA-N 0 0 444.419 -0.404 20 30 IBEDRN C#CCOc1cccc(NC(=O)C(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)c1 ZINC000746788191 1073776550 /nfs/dbraw/zinc/77/65/50/1073776550.db2.gz NZRFRTHTUOQNON-UHFFFAOYSA-N 0 0 426.429 -0.543 20 30 IBEDRN N#CCOc1cccc(NC(=O)C(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)c1 ZINC000746788338 1073776160 /nfs/dbraw/zinc/77/61/60/1073776160.db2.gz OUXJWVIZXWMDJY-UHFFFAOYSA-N 0 0 427.417 -0.653 20 30 IBEDRN C#CCOc1ccc(NC(=O)C(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)cc1 ZINC000746788727 1073778179 /nfs/dbraw/zinc/77/81/79/1073778179.db2.gz VYUUXAKSAVRGHV-UHFFFAOYSA-N 0 0 426.429 -0.543 20 30 IBEDRN CC(C)OCCS(=O)(=O)N1CCN(C(=O)CCNC(=O)C2N=CC=CC2=O)CC1 ZINC000746871306 1073788309 /nfs/dbraw/zinc/78/83/09/1073788309.db2.gz KYMDSXUISASMOW-ISLYRVAYSA-N 0 0 428.511 -0.198 20 30 IBEDRN CC(C)OCCS(=O)(=O)N1CCN(C(=O)CCNC(=O)C2N=CC=CC2=O)CC1 ZINC000746871307 1073788353 /nfs/dbraw/zinc/78/83/53/1073788353.db2.gz KYMDSXUISASMOW-ZCXUNETKSA-N 0 0 428.511 -0.198 20 30 IBEDRN O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCCNS(=O)(=O)c1cccs1 ZINC000746888468 1073793028 /nfs/dbraw/zinc/79/30/28/1073793028.db2.gz VXAHPABVPZKYSC-UHFFFAOYSA-N 0 0 428.517 -0.119 20 30 IBEDRN Cn1c(=O)c(C#N)c(N2CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C2)n(C)c1=O ZINC000747088280 1073821616 /nfs/dbraw/zinc/82/16/16/1073821616.db2.gz XKNCSVUKGAONQJ-CYBMUJFWSA-N 0 0 434.497 -0.187 20 30 IBEDRN Cn1c(=O)c(C#N)c(N2CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C2)n(C)c1=O ZINC000747088283 1073821712 /nfs/dbraw/zinc/82/17/12/1073821712.db2.gz XKNCSVUKGAONQJ-ZDUSSCGKSA-N 0 0 434.497 -0.187 20 30 IBEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2ccc(C(N)=O)o2)CC1 ZINC000747189795 1073845034 /nfs/dbraw/zinc/84/50/34/1073845034.db2.gz VWJVPGYKPCZNHQ-UHFFFAOYSA-N 0 0 446.441 -0.060 20 30 IBEDRN C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)CC1 ZINC000747276404 1073880793 /nfs/dbraw/zinc/88/07/93/1073880793.db2.gz AVQWLDHKLJENHN-UHFFFAOYSA-N 0 0 442.563 -0.617 20 30 IBEDRN C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc(C(=O)N3CCOCC3)cc2)CC1 ZINC000747277034 1073880927 /nfs/dbraw/zinc/88/09/27/1073880927.db2.gz FBFDQJVSMJSPPZ-UHFFFAOYSA-N 0 0 448.545 -0.395 20 30 IBEDRN C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc(F)c(S(C)(=O)=O)c2)CC1 ZINC000747277079 1073880726 /nfs/dbraw/zinc/88/07/26/1073880726.db2.gz GKNFLDJFNRPSFQ-UHFFFAOYSA-N 0 0 431.511 -0.325 20 30 IBEDRN C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc(CCNC(C)=O)s2)CC1 ZINC000747278288 1073880749 /nfs/dbraw/zinc/88/07/49/1073880749.db2.gz NXHKWYSXIHGGEV-UHFFFAOYSA-N 0 0 426.564 -0.128 20 30 IBEDRN C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cc(CNC(C)=O)ccc2OC)CC1 ZINC000747279611 1073881282 /nfs/dbraw/zinc/88/12/82/1073881282.db2.gz XXJVNLBFCCORON-UHFFFAOYSA-N 0 0 436.534 -0.223 20 30 IBEDRN C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cccc(S(=O)(=O)NC)c2)CC1 ZINC000747279691 1073881499 /nfs/dbraw/zinc/88/14/99/1073881499.db2.gz ZXJQJNNBCGFGDW-UHFFFAOYSA-N 0 0 428.536 -0.960 20 30 IBEDRN NC(=O)c1cccnc1N1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC000747324272 1073891969 /nfs/dbraw/zinc/89/19/69/1073891969.db2.gz XSOJMNRAIQFISK-UHFFFAOYSA-N 0 0 428.474 -0.432 20 30 IBEDRN NC(=O)c1cccnc1N1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC000747333552 1073894808 /nfs/dbraw/zinc/89/48/08/1073894808.db2.gz CRBXMLCTUQFBIF-UHFFFAOYSA-N 0 0 442.501 -0.042 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)CN2CCN(C(=O)OCc3ccccc3)CC2)CC1 ZINC000747381194 1073914026 /nfs/dbraw/zinc/91/40/26/1073914026.db2.gz DMTJPYHMWMHVDB-UHFFFAOYSA-N 0 0 441.532 -0.166 20 30 IBEDRN COc1ccc(CNC(=O)C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)cc1C#N ZINC000747494762 1073945305 /nfs/dbraw/zinc/94/53/05/1073945305.db2.gz DPLBQGYMXQHQJR-UHFFFAOYSA-N 0 0 426.433 -0.123 20 30 IBEDRN COc1ccc(CNC(=O)C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)cc1C#N ZINC000747499178 1073945838 /nfs/dbraw/zinc/94/58/38/1073945838.db2.gz XCJPADMGZWDFFR-UHFFFAOYSA-N 0 0 426.433 -0.123 20 30 IBEDRN CC(C)OCCS(=O)(=O)N1CCN(C(=O)NCCNC(=O)C2N=CC=CC2=O)CC1 ZINC000747579509 1073967782 /nfs/dbraw/zinc/96/77/82/1073967782.db2.gz ABBNEDDCJZYXGS-MSUUIHNZSA-N 0 0 443.526 -0.405 20 30 IBEDRN CC(C)OCCS(=O)(=O)N1CCN(C(=O)NCCNC(=O)C2N=CC=CC2=O)CC1 ZINC000747579510 1073967787 /nfs/dbraw/zinc/96/77/87/1073967787.db2.gz ABBNEDDCJZYXGS-WUKNDPDISA-N 0 0 443.526 -0.405 20 30 IBEDRN CN1CCN(S(=O)(=O)c2ccc(N=NC3CCN(S(C)(=O)=O)CC3)nc2)CC1 ZINC000747628586 1073978215 /nfs/dbraw/zinc/97/82/15/1073978215.db2.gz PCMHVBCDJAQIDO-UHFFFAOYSA-N 0 0 430.556 -0.159 20 30 IBEDRN CN1CCN(S(=O)(=O)c2cccnc2N=NC2CCN(S(C)(=O)=O)CC2)CC1 ZINC000747632866 1073978791 /nfs/dbraw/zinc/97/87/91/1073978791.db2.gz RJYDQGSDTJYIPC-UHFFFAOYSA-N 0 0 430.556 -0.159 20 30 IBEDRN C#CCNC(=O)C1CCN(C(=O)Cn2cc(S(=O)(=O)N(CC)CC)ccc2=O)CC1 ZINC000747737778 1073988043 /nfs/dbraw/zinc/98/80/43/1073988043.db2.gz IRGRYBGADFIQCT-UHFFFAOYSA-N 0 0 436.534 -0.133 20 30 IBEDRN C#CCNC(=O)C1CCN(CC(=O)c2c(N)n(Cc3ccccc3)c(=O)n(C)c2=O)CC1 ZINC000747820225 1073998890 /nfs/dbraw/zinc/99/88/90/1073998890.db2.gz PIFKWOGBOQHQLA-UHFFFAOYSA-N 0 0 437.500 -0.178 20 30 IBEDRN C#CCNC(=O)C1CCN(CC(=O)NN2C(=O)N[C@](C)(c3ccc(OC)cc3)C2=O)CC1 ZINC000747820433 1073998948 /nfs/dbraw/zinc/99/89/48/1073998948.db2.gz VZTZWRYGSIYKAF-JOCHJYFZSA-N 0 0 441.488 -0.045 20 30 IBEDRN C#CCNC(=O)C1CCN(CC(=O)NN2C(=O)N[C@@](C)(c3ccc(OC)cc3)C2=O)CC1 ZINC000747820434 1073998995 /nfs/dbraw/zinc/99/89/95/1073998995.db2.gz VZTZWRYGSIYKAF-QFIPXVFZSA-N 0 0 441.488 -0.045 20 30 IBEDRN C#CCNC(=O)C1CCN(CC(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000747822825 1073999521 /nfs/dbraw/zinc/99/95/21/1073999521.db2.gz GVULJDCRPLXLBM-MSOLQXFVSA-N 0 0 425.551 -0.358 20 30 IBEDRN C#CCNC(=O)C1CCN(CC(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000747822826 1073999405 /nfs/dbraw/zinc/99/94/05/1073999405.db2.gz GVULJDCRPLXLBM-QZTJIDSGSA-N 0 0 425.551 -0.358 20 30 IBEDRN C#CCNC(=O)C1CCN(CC(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000747822827 1073999562 /nfs/dbraw/zinc/99/95/62/1073999562.db2.gz GVULJDCRPLXLBM-ROUUACIJSA-N 0 0 425.551 -0.358 20 30 IBEDRN C#CCNC(=O)C1CCN(CC(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000747822829 1073999414 /nfs/dbraw/zinc/99/94/14/1073999414.db2.gz GVULJDCRPLXLBM-ZWKOTPCHSA-N 0 0 425.551 -0.358 20 30 IBEDRN C#CCNC(=O)C1CCN(S(=O)(=O)c2ccc(OC)c([C@]3(C)NC(=O)NC3=O)c2)CC1 ZINC000747850236 1074003364 /nfs/dbraw/zinc/00/33/64/1074003364.db2.gz WMSJQGODUVSBKA-FQEVSTJZSA-N 0 0 448.501 -0.100 20 30 IBEDRN C#CCNC(=O)C1CCN(S(=O)(=O)c2ccc(OC)c([C@@]3(C)NC(=O)NC3=O)c2)CC1 ZINC000747850239 1074003375 /nfs/dbraw/zinc/00/33/75/1074003375.db2.gz WMSJQGODUVSBKA-HXUWFJFHSA-N 0 0 448.501 -0.100 20 30 IBEDRN C#CCNC(=O)C1CCN(C(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)CC1 ZINC000747856089 1074004319 /nfs/dbraw/zinc/00/43/19/1074004319.db2.gz HEAOAYYTCXMDLT-UHFFFAOYSA-N 0 0 425.489 -0.070 20 30 IBEDRN C#CCNC(=O)C1CCN(C(=O)CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)CC1 ZINC000747881779 1074006628 /nfs/dbraw/zinc/00/66/28/1074006628.db2.gz CECUHSLUBQGXMD-UHFFFAOYSA-N 0 0 434.518 -0.345 20 30 IBEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2cc[n+]([O-])cc2)CC1 ZINC000747990777 1074018563 /nfs/dbraw/zinc/01/85/63/1074018563.db2.gz ZRPFPIZFWSPZIW-UHFFFAOYSA-N 0 0 430.442 -0.118 20 30 IBEDRN C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(C(=O)NCCC(=O)OC)cc2)CC1 ZINC000747991220 1074018484 /nfs/dbraw/zinc/01/84/84/1074018484.db2.gz FWJQDMNUMMERFE-UHFFFAOYSA-N 0 0 442.472 -0.094 20 30 IBEDRN C#CCNC(=O)C1CCN(C(=O)C(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)CC1 ZINC000747993154 1074019200 /nfs/dbraw/zinc/01/92/00/1074019200.db2.gz BDEUTVDJMIZHHB-UHFFFAOYSA-N 0 0 446.529 -0.186 20 30 IBEDRN C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)N(C)OC)cc2)CC1 ZINC000747994063 1074019220 /nfs/dbraw/zinc/01/92/20/1074019220.db2.gz XLEOFCDZJSHPQQ-UHFFFAOYSA-N 0 0 436.490 -0.205 20 30 IBEDRN CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCO[C@H](C(N)=O)C2)c1 ZINC000748001618 1074025646 /nfs/dbraw/zinc/02/56/46/1074025646.db2.gz NKJFLLVMFZOFAR-MYVXHDQYSA-N 0 0 437.478 -0.849 20 30 IBEDRN CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCO[C@H](C(N)=O)C2)c1 ZINC000748001619 1074025922 /nfs/dbraw/zinc/02/59/22/1074025922.db2.gz NKJFLLVMFZOFAR-OOJJEUIESA-N 0 0 437.478 -0.849 20 30 IBEDRN CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCO[C@@H](C(N)=O)C2)c1 ZINC000748001620 1074025683 /nfs/dbraw/zinc/02/56/83/1074025683.db2.gz NKJFLLVMFZOFAR-PKJRHQKLSA-N 0 0 437.478 -0.849 20 30 IBEDRN CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCO[C@@H](C(N)=O)C2)c1 ZINC000748001621 1074025861 /nfs/dbraw/zinc/02/58/61/1074025861.db2.gz NKJFLLVMFZOFAR-YRHWPSCSSA-N 0 0 437.478 -0.849 20 30 IBEDRN CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCO[C@H](C(N)=O)C2)cc1 ZINC000748003051 1074026620 /nfs/dbraw/zinc/02/66/20/1074026620.db2.gz VZTMGBPPOOPXPB-MYVXHDQYSA-N 0 0 437.478 -0.849 20 30 IBEDRN CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCO[C@H](C(N)=O)C2)cc1 ZINC000748003052 1074026613 /nfs/dbraw/zinc/02/66/13/1074026613.db2.gz VZTMGBPPOOPXPB-OOJJEUIESA-N 0 0 437.478 -0.849 20 30 IBEDRN CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCO[C@@H](C(N)=O)C2)cc1 ZINC000748003053 1074026502 /nfs/dbraw/zinc/02/65/02/1074026502.db2.gz VZTMGBPPOOPXPB-PKJRHQKLSA-N 0 0 437.478 -0.849 20 30 IBEDRN CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCO[C@@H](C(N)=O)C2)cc1 ZINC000748003054 1074026494 /nfs/dbraw/zinc/02/64/94/1074026494.db2.gz VZTMGBPPOOPXPB-YRHWPSCSSA-N 0 0 437.478 -0.849 20 30 IBEDRN C=CCNS(=O)(=O)c1cc(C(=O)NCCS(=O)(=O)N2CCOCC2)ccc1F ZINC000748044922 1074033655 /nfs/dbraw/zinc/03/36/55/1074033655.db2.gz AUTJDGZIVIGPFW-UHFFFAOYSA-N 0 0 435.499 -0.318 20 30 IBEDRN CCS(=O)(=O)N1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC000748056440 1070797676 /nfs/dbraw/zinc/79/76/76/1070797676.db2.gz PKIMYQAJNHEEBK-UHFFFAOYSA-N 0 0 428.536 -0.001 20 30 IBEDRN O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCCS(=O)(=O)N1CCOCC1 ZINC000748057628 1070798302 /nfs/dbraw/zinc/79/83/02/1070798302.db2.gz FZDXPCNNEKTNSS-UHFFFAOYSA-N 0 0 444.535 -0.717 20 30 IBEDRN Cn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCN3CCOCC3)c2=O)cn1 ZINC000748064055 1070803262 /nfs/dbraw/zinc/80/32/62/1070803262.db2.gz INOGSJRISJZWKZ-UHFFFAOYSA-N 0 0 427.530 -0.152 20 30 IBEDRN N#Cc1nc(C2CC2)oc1N1CCN(C(=O)NCCS(=O)(=O)N2CCOCC2)CC1 ZINC000748107741 1070861412 /nfs/dbraw/zinc/86/14/12/1070861412.db2.gz LRYSPEGTFBVQIN-UHFFFAOYSA-N 0 0 438.510 -0.083 20 30 IBEDRN Cc1nnc(SCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n(N)c1=O ZINC000748186312 1072712905 /nfs/dbraw/zinc/71/29/05/1072712905.db2.gz BPFOVSRRDFPTBG-UHFFFAOYSA-N 0 0 449.518 -0.843 20 30 IBEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)C2=NNC(=O)CC2)CC1 ZINC000748360500 1072714359 /nfs/dbraw/zinc/71/43/59/1072714359.db2.gz QLVPOYAXOAOGJU-UHFFFAOYSA-N 0 0 433.446 -0.800 20 30 IBEDRN C[C@@]1(C2CCN(C(=O)CCN=C3NS(=O)(=O)c4ccccc43)CC2)NC(=O)NC1=O ZINC000748373805 1072714497 /nfs/dbraw/zinc/71/44/97/1072714497.db2.gz CXCDZPXAHNSPNC-IBGZPJMESA-N 0 0 433.490 -0.048 20 30 IBEDRN C[C@]1(C2CCN(C(=O)CCN=C3NS(=O)(=O)c4ccccc43)CC2)NC(=O)NC1=O ZINC000748373807 1072714455 /nfs/dbraw/zinc/71/44/55/1072714455.db2.gz CXCDZPXAHNSPNC-LJQANCHMSA-N 0 0 433.490 -0.048 20 30 IBEDRN Cn1c(N)c(C(=O)COC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)c(=O)n(C)c1=O ZINC000748409806 1072715403 /nfs/dbraw/zinc/71/54/03/1072715403.db2.gz ZEIHGXMNSCOQLU-UHFFFAOYSA-N 0 0 448.457 -0.217 20 30 IBEDRN Cn1cc(C(=O)C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cn1 ZINC000748435240 1072717826 /nfs/dbraw/zinc/71/78/26/1072717826.db2.gz XVZVTMLFOXBRIX-UHFFFAOYSA-N 0 0 445.457 -0.449 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)C1=O ZINC000748559458 1072720345 /nfs/dbraw/zinc/72/03/45/1072720345.db2.gz AHBIIIAKXLVPTD-UHFFFAOYSA-N 0 0 434.474 -0.486 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)NCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1=O ZINC000748564090 1072720391 /nfs/dbraw/zinc/72/03/91/1072720391.db2.gz ISWJPTNMJRRCFC-UHFFFAOYSA-N 0 0 437.453 -0.841 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)C1=O ZINC000748564229 1072720300 /nfs/dbraw/zinc/72/03/00/1072720300.db2.gz PSTBNTMDMKVJOP-UHFFFAOYSA-N 0 0 445.457 -0.744 20 30 IBEDRN CC[C@H](C)[C@@H](NC(=O)COC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OC ZINC000748576418 1072720840 /nfs/dbraw/zinc/72/08/40/1072720840.db2.gz SKFMARWGTZHNQF-MEDUHNTESA-N 0 0 425.463 -0.028 20 30 IBEDRN CC[C@H](C)[C@H](NC(=O)COC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OC ZINC000748576419 1072720854 /nfs/dbraw/zinc/72/08/54/1072720854.db2.gz SKFMARWGTZHNQF-ZBEGNZNMSA-N 0 0 425.463 -0.028 20 30 IBEDRN COCCn1c(=O)c(=Cc2cc(C#N)cs2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000748643476 1072721217 /nfs/dbraw/zinc/72/12/17/1072721217.db2.gz AKELJVSYAAPXJB-UHFFFAOYSA-N 0 0 430.511 -0.149 20 30 IBEDRN CS(=O)(=O)CCn1c(=O)c(=Cc2cc(C#N)cs2)sc1=C(C#N)C(=O)NC1CC1 ZINC000748643503 1072721342 /nfs/dbraw/zinc/72/13/42/1072721342.db2.gz ALZLYHSIKCWKRR-UHFFFAOYSA-N 0 0 448.551 -0.331 20 30 IBEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1CCS(C)(=O)=O ZINC000748644706 1072721208 /nfs/dbraw/zinc/72/12/08/1072721208.db2.gz HNUUCWRRCCKYPF-UHFFFAOYSA-N 0 0 448.551 -0.307 20 30 IBEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1CC(=O)N(C)C ZINC000748646345 1072721242 /nfs/dbraw/zinc/72/12/42/1072721242.db2.gz UBKFNICJNYKMNA-UHFFFAOYSA-N 0 0 427.511 -0.264 20 30 IBEDRN C#CCN1CCN(C(=O)CSc2nnc(SCC(=O)N(CC)CC)n2N)CC1 ZINC000748652178 1072721268 /nfs/dbraw/zinc/72/12/68/1072721268.db2.gz TWJKNGGFYRYTOY-UHFFFAOYSA-N 0 0 425.584 -0.178 20 30 IBEDRN C#CCN1CCN(C(=O)CN2C(=O)N[C@@](C)(c3ccc(S(C)(=O)=O)cc3)C2=O)CC1 ZINC000748652736 1072721362 /nfs/dbraw/zinc/72/13/62/1072721362.db2.gz QUFNGOMVCMMQOK-FQEVSTJZSA-N 0 0 432.502 -0.366 20 30 IBEDRN C#CCN1CCN(C(=O)CN2C(=O)N[C@](C)(c3ccc(S(C)(=O)=O)cc3)C2=O)CC1 ZINC000748652737 1072721322 /nfs/dbraw/zinc/72/13/22/1072721322.db2.gz QUFNGOMVCMMQOK-HXUWFJFHSA-N 0 0 432.502 -0.366 20 30 IBEDRN CS(=O)(=O)N1CCC(CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC000748783027 1072723836 /nfs/dbraw/zinc/72/38/36/1072723836.db2.gz LROVVJCQMJFRJC-UHFFFAOYSA-N 0 0 428.536 -0.097 20 30 IBEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)s2)c(=O)n1CCS(C)(=O)=O ZINC000748790313 1072723711 /nfs/dbraw/zinc/72/37/11/1072723711.db2.gz CFPFOBIABCYLJT-UHFFFAOYSA-N 0 0 448.551 -0.307 20 30 IBEDRN COCCn1c(=O)c(=Cc2ccc(C#N)s2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000748790350 1072723664 /nfs/dbraw/zinc/72/36/64/1072723664.db2.gz DPQRXTDYXPMZTA-UHFFFAOYSA-N 0 0 430.511 -0.149 20 30 IBEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)s2)c(=O)n1CC(=O)N(C)C ZINC000748790491 1072723678 /nfs/dbraw/zinc/72/36/78/1072723678.db2.gz IFCQUANGNJVFCD-UHFFFAOYSA-N 0 0 427.511 -0.264 20 30 IBEDRN CS(=O)(=O)CCn1c(=O)c(=Cc2ccc(C#N)s2)sc1=C(C#N)C(=O)NC1CC1 ZINC000748791426 1072723650 /nfs/dbraw/zinc/72/36/50/1072723650.db2.gz SRYZEEBZDQQTOA-UHFFFAOYSA-N 0 0 448.551 -0.331 20 30 IBEDRN C#CCN1CCN(C(=O)CN2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000748809431 1072723689 /nfs/dbraw/zinc/72/36/89/1072723689.db2.gz AIWXRQWXNAGJHM-UHFFFAOYSA-N 0 0 435.506 -0.322 20 30 IBEDRN C#CCN1CCN(C(=O)CN2CCN(c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])CC2)CC1 ZINC000748809827 1072723827 /nfs/dbraw/zinc/72/38/27/1072723827.db2.gz LCXGWGNVNZBSGA-UHFFFAOYSA-N 0 0 449.533 -0.102 20 30 IBEDRN C#CCN1CCN(C(=O)CN2CCN(S(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)CC2)CC1 ZINC000748810074 1072723811 /nfs/dbraw/zinc/72/38/11/1072723811.db2.gz PSTNFJIUXKCHOG-UHFFFAOYSA-N 0 0 446.533 -0.648 20 30 IBEDRN C#CCN1CCN(C(=O)CN2CCN(S(=O)(=O)c3c[nH]c4ncccc34)CC2)CC1 ZINC000748814154 1072723725 /nfs/dbraw/zinc/72/37/25/1072723725.db2.gz UHOOMPBBSRYZKF-UHFFFAOYSA-N 0 0 430.534 -0.353 20 30 IBEDRN C#CCN1CCN(C(=O)CN2CCN(S(=O)(=O)N(C)C3CCCCC3)CC2)CC1 ZINC000748814843 1072723742 /nfs/dbraw/zinc/72/37/42/1072723742.db2.gz FOTUYVCMQHILJU-UHFFFAOYSA-N 0 0 425.599 -0.109 20 30 IBEDRN C#CCN1CCN(C(=O)CN(CCO)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)CC1 ZINC000748816256 1072724243 /nfs/dbraw/zinc/72/42/43/1072724243.db2.gz QXYRDFXGEVHZLY-UHFFFAOYSA-N 0 0 440.504 -0.845 20 30 IBEDRN C#CCN1CCN(C(=O)CN(CCCOC)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)CC1 ZINC000748816469 1072723638 /nfs/dbraw/zinc/72/36/38/1072723638.db2.gz UVZSFXLIPQAYQB-UHFFFAOYSA-N 0 0 434.541 -0.193 20 30 IBEDRN C#CCN1CCN(C(=O)CN2CCN(CCNS(=O)(=O)c3ccc(C)cc3)CC2)CC1 ZINC000748816512 1072723801 /nfs/dbraw/zinc/72/38/01/1072723801.db2.gz DFPQUWKNMHMCRI-UHFFFAOYSA-N 0 0 447.605 -0.332 20 30 IBEDRN C#CCN1CCN(C(=O)CN2CCN(C(=O)c3cccc(S(C)(=O)=O)c3)CC2)CC1 ZINC000748816603 1072723645 /nfs/dbraw/zinc/72/36/45/1072723645.db2.gz IJGBVLAQESDWQW-UHFFFAOYSA-N 0 0 432.546 -0.375 20 30 IBEDRN C#CCN1CCN(C(=O)CN2CCN(CCNC(=O)c3ccc(OC)cc3)CC2)CC1 ZINC000748818882 1072724271 /nfs/dbraw/zinc/72/42/71/1072724271.db2.gz ZYHCVKBCSGCKEU-UHFFFAOYSA-N 0 0 427.549 -0.180 20 30 IBEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)Cn3cc([N+](=O)[O-])ccc3=O)CC2)o1 ZINC000748913538 1072725489 /nfs/dbraw/zinc/72/54/89/1072725489.db2.gz YOHFUBRUTAGVCR-UHFFFAOYSA-N 0 0 430.377 -0.183 20 30 IBEDRN NC(=O)[C@@H]1CCCCN1C(=O)COC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 ZINC000749007699 1072727063 /nfs/dbraw/zinc/72/70/63/1072727063.db2.gz IYSAYVODJAHVSL-AWEZNQCLSA-N 0 0 436.490 -0.085 20 30 IBEDRN NC(=O)[C@H]1CCCCN1C(=O)COC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 ZINC000749007700 1072727120 /nfs/dbraw/zinc/72/71/20/1072727120.db2.gz IYSAYVODJAHVSL-CQSZACIVSA-N 0 0 436.490 -0.085 20 30 IBEDRN C#CCNC(=O)CN1CCCN(S(=O)(=O)c2sc(C(=O)OC)cc2OC)CC1 ZINC000749107379 1072727926 /nfs/dbraw/zinc/72/79/26/1072727926.db2.gz KXDFRQXLKLYDNZ-UHFFFAOYSA-N 0 0 429.520 -0.011 20 30 IBEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)CN2C(=O)CCC2=O)CC1 ZINC000749114622 1072727970 /nfs/dbraw/zinc/72/79/70/1072727970.db2.gz XMAKJZFLPDLTFG-UHFFFAOYSA-N 0 0 448.457 -0.917 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)N(C)CC(=O)Nc2ccc(N3CCOCC3)cc2)C1=O ZINC000749197627 1072843054 /nfs/dbraw/zinc/84/30/54/1072843054.db2.gz ODLSNGXHUVCRCC-UHFFFAOYSA-N 0 0 443.460 -0.103 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)NN2C(=O)N[C@@](C)(CCc3ccccc3)C2=O)C1=O ZINC000749197877 1072842735 /nfs/dbraw/zinc/84/27/35/1072842735.db2.gz TVJURNFZKSCOLL-FQEVSTJZSA-N 0 0 427.417 -0.062 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)NN2C(=O)N[C@](C)(CCc3ccccc3)C2=O)C1=O ZINC000749197879 1072843300 /nfs/dbraw/zinc/84/33/00/1072843300.db2.gz TVJURNFZKSCOLL-HXUWFJFHSA-N 0 0 427.417 -0.062 20 30 IBEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)Cn2ccccc2=O)CC1 ZINC000749214054 1072843215 /nfs/dbraw/zinc/84/32/15/1072843215.db2.gz PSWJIIAHTSCUIA-UHFFFAOYSA-N 0 0 444.469 -0.204 20 30 IBEDRN N#CCCN(CCN1CCOCC1)C(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000749370185 1072846273 /nfs/dbraw/zinc/84/62/73/1072846273.db2.gz FKGJWYRAFZZCAT-HNNXBMFYSA-N 0 0 425.511 -0.774 20 30 IBEDRN N#CCCN(CCN1CCOCC1)C(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000749370186 1072846217 /nfs/dbraw/zinc/84/62/17/1072846217.db2.gz FKGJWYRAFZZCAT-OAHLLOKOSA-N 0 0 425.511 -0.774 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)C2(NC(=O)c3c(C)nn(C)c3C)CCCC2)CC1 ZINC000749375487 1072846681 /nfs/dbraw/zinc/84/66/81/1072846681.db2.gz JINXECHLBWUDQV-UHFFFAOYSA-N 0 0 428.537 -0.027 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)c2ccc(-n3cc(Br)cn3)nn2)CC1 ZINC000749376482 1072846820 /nfs/dbraw/zinc/84/68/20/1072846820.db2.gz YLTARSAKNSNFAN-UHFFFAOYSA-N 0 0 432.282 -0.068 20 30 IBEDRN C[C@@H](CC(=O)N1CCN(CCn2cncn2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000749396096 1072846829 /nfs/dbraw/zinc/84/68/29/1072846829.db2.gz DSJGCXYILZYYSA-HNNXBMFYSA-N 0 0 431.522 -0.060 20 30 IBEDRN C[C@H](CC(=O)N1CCN(CCn2cncn2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000749396097 1072846497 /nfs/dbraw/zinc/84/64/97/1072846497.db2.gz DSJGCXYILZYYSA-OAHLLOKOSA-N 0 0 431.522 -0.060 20 30 IBEDRN O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(CCn2cncn2)CC1 ZINC000749397995 1072846600 /nfs/dbraw/zinc/84/66/00/1072846600.db2.gz XHHNJJBVBXIPHP-UHFFFAOYSA-N 0 0 431.522 -0.059 20 30 IBEDRN COC(=O)c1ccc(N2CCN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CC2)nn1 ZINC000749409101 1072847301 /nfs/dbraw/zinc/84/73/01/1072847301.db2.gz LEUKUHZXVGDCFX-UHFFFAOYSA-N 0 0 444.473 -0.350 20 30 IBEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2nccnc2N)CC1 ZINC000749484522 1072847221 /nfs/dbraw/zinc/84/72/21/1072847221.db2.gz JBYOFKUWPSRTDC-UHFFFAOYSA-N 0 0 430.446 -0.380 20 30 IBEDRN Cn1cnc2c1c(=O)n(CC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N)c(=O)n2C ZINC000749520545 1072847032 /nfs/dbraw/zinc/84/70/32/1072847032.db2.gz ISOONWYIVLLTTJ-GFCCVEGCSA-N 0 0 431.453 -0.595 20 30 IBEDRN Cn1cnc2c1c(=O)n(CC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N)c(=O)n2C ZINC000749520549 1072846979 /nfs/dbraw/zinc/84/69/79/1072846979.db2.gz ISOONWYIVLLTTJ-LBPRGKRZSA-N 0 0 431.453 -0.595 20 30 IBEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)CN2CCCC2=O)CC1 ZINC000749554644 1072847897 /nfs/dbraw/zinc/84/78/97/1072847897.db2.gz LMMHULJJKONNCH-UHFFFAOYSA-N 0 0 434.474 -0.443 20 30 IBEDRN COCCNS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1 ZINC000749643199 1072849873 /nfs/dbraw/zinc/84/98/73/1072849873.db2.gz BLYLSEUMEIGUAL-INIZCTEOSA-N 0 0 435.506 -0.251 20 30 IBEDRN COCCNS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1 ZINC000749643209 1072849789 /nfs/dbraw/zinc/84/97/89/1072849789.db2.gz BLYLSEUMEIGUAL-MRXNPFEDSA-N 0 0 435.506 -0.251 20 30 IBEDRN COCCn1c(N)c(C(=O)CN2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)c(=O)[nH]c1=O ZINC000749650937 1072849802 /nfs/dbraw/zinc/84/98/02/1072849802.db2.gz ZHGCIGKCSQTEQZ-GFCCVEGCSA-N 0 0 436.469 -0.195 20 30 IBEDRN COCCn1c(N)c(C(=O)CN2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c(=O)[nH]c1=O ZINC000749650938 1072849822 /nfs/dbraw/zinc/84/98/22/1072849822.db2.gz ZHGCIGKCSQTEQZ-LBPRGKRZSA-N 0 0 436.469 -0.195 20 30 IBEDRN CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NC(CO)CO)c1 ZINC000749666919 1072850244 /nfs/dbraw/zinc/85/02/44/1072850244.db2.gz WBLXKYHUJCELQL-LTGZKZEYSA-N 0 0 426.495 -0.313 20 30 IBEDRN CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NC(CO)CO)c1 ZINC000749666930 1072850329 /nfs/dbraw/zinc/85/03/29/1072850329.db2.gz WBLXKYHUJCELQL-PGMHBOJBSA-N 0 0 426.495 -0.313 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)cc2)CC1 ZINC000749666938 1072850404 /nfs/dbraw/zinc/85/04/04/1072850404.db2.gz OEPDSZZGTOBAPR-UHFFFAOYSA-N 0 0 428.493 -0.992 20 30 IBEDRN N#Cc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)c1 ZINC000749669314 1072850900 /nfs/dbraw/zinc/85/09/00/1072850900.db2.gz BVZDRUGGIUBFCV-HNNXBMFYSA-N 0 0 440.503 -0.842 20 30 IBEDRN N#Cc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)c1 ZINC000749669316 1072850792 /nfs/dbraw/zinc/85/07/92/1072850792.db2.gz BVZDRUGGIUBFCV-OAHLLOKOSA-N 0 0 440.503 -0.842 20 30 IBEDRN C#Cc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)c1 ZINC000749675880 1072852997 /nfs/dbraw/zinc/85/29/97/1072852997.db2.gz XHYBAWUFMTWAIR-INIZCTEOSA-N 0 0 439.515 -0.733 20 30 IBEDRN C#Cc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)c1 ZINC000749675881 1072853110 /nfs/dbraw/zinc/85/31/10/1072853110.db2.gz XHYBAWUFMTWAIR-MRXNPFEDSA-N 0 0 439.515 -0.733 20 30 IBEDRN N#Cc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000749676519 1072853208 /nfs/dbraw/zinc/85/32/08/1072853208.db2.gz YVCCOMXODVFZGH-HNNXBMFYSA-N 0 0 440.503 -0.842 20 30 IBEDRN N#Cc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000749676522 1072852923 /nfs/dbraw/zinc/85/29/23/1072852923.db2.gz YVCCOMXODVFZGH-OAHLLOKOSA-N 0 0 440.503 -0.842 20 30 IBEDRN COC[C@H](CCO)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 ZINC000749741330 1072854378 /nfs/dbraw/zinc/85/43/78/1072854378.db2.gz DXGMWQJAVOYVBW-FJGOLAJPSA-N 0 0 426.495 -0.049 20 30 IBEDRN COC[C@@H](CCO)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 ZINC000749741333 1072854437 /nfs/dbraw/zinc/85/44/37/1072854437.db2.gz DXGMWQJAVOYVBW-HDOZFUISSA-N 0 0 426.495 -0.049 20 30 IBEDRN COC[C@H](CCO)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 ZINC000749741336 1072854543 /nfs/dbraw/zinc/85/45/43/1072854543.db2.gz DXGMWQJAVOYVBW-IKBYJFNHSA-N 0 0 426.495 -0.049 20 30 IBEDRN COC[C@@H](CCO)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 ZINC000749741340 1072854500 /nfs/dbraw/zinc/85/45/00/1072854500.db2.gz DXGMWQJAVOYVBW-VDVBZYJVSA-N 0 0 426.495 -0.049 20 30 IBEDRN COC[C@H](CCO)NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 ZINC000749744505 1072854734 /nfs/dbraw/zinc/85/47/34/1072854734.db2.gz QDIFZJSNDWVUOY-FJGOLAJPSA-N 0 0 426.495 -0.049 20 30 IBEDRN COC[C@@H](CCO)NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 ZINC000749744509 1072854574 /nfs/dbraw/zinc/85/45/74/1072854574.db2.gz QDIFZJSNDWVUOY-HDOZFUISSA-N 0 0 426.495 -0.049 20 30 IBEDRN COC[C@H](CCO)NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 ZINC000749744510 1072854749 /nfs/dbraw/zinc/85/47/49/1072854749.db2.gz QDIFZJSNDWVUOY-IKBYJFNHSA-N 0 0 426.495 -0.049 20 30 IBEDRN COC[C@@H](CCO)NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 ZINC000749744511 1072854697 /nfs/dbraw/zinc/85/46/97/1072854697.db2.gz QDIFZJSNDWVUOY-VDVBZYJVSA-N 0 0 426.495 -0.049 20 30 IBEDRN Cc1c(NC(=S)NN=Cc2c(N)n(C)c(=O)n(C)c2=O)c(=O)n(-c2ccccc2)n1C ZINC000749813369 1072856632 /nfs/dbraw/zinc/85/66/32/1072856632.db2.gz YXTVLDDVTYXVOR-UHFFFAOYSA-N 0 0 442.505 -0.215 20 30 IBEDRN CN1CCN(S(=O)(=O)c2ccc(NN=Cc3c(N)n(C)c(=O)n(C)c3=O)cc2)CC1 ZINC000749815275 1072856651 /nfs/dbraw/zinc/85/66/51/1072856651.db2.gz MNUXDFIVLSNQBD-UHFFFAOYSA-N 0 0 435.510 -0.952 20 30 IBEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(CCOC)c2)c(=O)n1C[C@@H]1CCOC1 ZINC000749855245 1072856520 /nfs/dbraw/zinc/85/65/20/1072856520.db2.gz GCASWXUOCYYCNB-HNNXBMFYSA-N 0 0 445.545 -0.182 20 30 IBEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(CCOC)c2)c(=O)n1C[C@H]1CCOC1 ZINC000749855246 1072856554 /nfs/dbraw/zinc/85/65/54/1072856554.db2.gz GCASWXUOCYYCNB-OAHLLOKOSA-N 0 0 445.545 -0.182 20 30 IBEDRN CCn1cc(C=c2sc(=C(C#N)C(=O)NCCOC)n(C[C@@H]3CCOC3)c2=O)cn1 ZINC000749856228 1072857045 /nfs/dbraw/zinc/85/70/45/1072857045.db2.gz CTOXGVZBEPQOBZ-AWEZNQCLSA-N 0 0 431.518 -0.572 20 30 IBEDRN CCn1cc(C=c2sc(=C(C#N)C(=O)NCCOC)n(C[C@H]3CCOC3)c2=O)cn1 ZINC000749856230 1072857227 /nfs/dbraw/zinc/85/72/27/1072857227.db2.gz CTOXGVZBEPQOBZ-CQSZACIVSA-N 0 0 431.518 -0.572 20 30 IBEDRN COCCn1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@@H]3CCOC3)c2=O)cn1 ZINC000749856723 1072857057 /nfs/dbraw/zinc/85/70/57/1072857057.db2.gz KGSQWQMZSQWJEF-AWEZNQCLSA-N 0 0 443.529 -0.429 20 30 IBEDRN COCCn1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@H]3CCOC3)c2=O)cn1 ZINC000749856724 1072857157 /nfs/dbraw/zinc/85/71/57/1072857157.db2.gz KGSQWQMZSQWJEF-CQSZACIVSA-N 0 0 443.529 -0.429 20 30 IBEDRN Cn1cc(C=c2sc(=C(C#N)C(=O)N3CCSCC3)n(C[C@@H]3CCOC3)c2=O)cn1 ZINC000749862555 1072857191 /nfs/dbraw/zinc/85/71/91/1072857191.db2.gz UNUYERZSYFKKFR-AWEZNQCLSA-N 0 0 445.570 -0.242 20 30 IBEDRN Cn1cc(C=c2sc(=C(C#N)C(=O)N3CCSCC3)n(C[C@H]3CCOC3)c2=O)cn1 ZINC000749862977 1072857124 /nfs/dbraw/zinc/85/71/24/1072857124.db2.gz UNUYERZSYFKKFR-CQSZACIVSA-N 0 0 445.570 -0.242 20 30 IBEDRN CCCn1cc(C=c2sc(=C(C#N)C(=O)NCCOC)n(C[C@@H]3CCOC3)c2=O)cn1 ZINC000749867531 1072857035 /nfs/dbraw/zinc/85/70/35/1072857035.db2.gz AHZIJLHIDABZMA-HNNXBMFYSA-N 0 0 445.545 -0.182 20 30 IBEDRN CCCn1cc(C=c2sc(=C(C#N)C(=O)NCCOC)n(C[C@H]3CCOC3)c2=O)cn1 ZINC000749867533 1072856955 /nfs/dbraw/zinc/85/69/55/1072856955.db2.gz AHZIJLHIDABZMA-OAHLLOKOSA-N 0 0 445.545 -0.182 20 30 IBEDRN COCCn1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C[C@@H]3CCOC3)c2=O)cn1 ZINC000749867869 1072856992 /nfs/dbraw/zinc/85/69/92/1072856992.db2.gz DGMUUZVUYKVADA-HNNXBMFYSA-N 0 0 445.545 -0.183 20 30 IBEDRN COCCn1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C[C@H]3CCOC3)c2=O)cn1 ZINC000749867873 1072856982 /nfs/dbraw/zinc/85/69/82/1072856982.db2.gz DGMUUZVUYKVADA-OAHLLOKOSA-N 0 0 445.545 -0.183 20 30 IBEDRN CCn1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C[C@@H]3CCOC3)c2=O)cn1 ZINC000749868378 1072857168 /nfs/dbraw/zinc/85/71/68/1072857168.db2.gz HEQOEVDZTFESNK-HNNXBMFYSA-N 0 0 443.529 -0.475 20 30 IBEDRN CCn1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C[C@H]3CCOC3)c2=O)cn1 ZINC000749868381 1072857208 /nfs/dbraw/zinc/85/72/08/1072857208.db2.gz HEQOEVDZTFESNK-OAHLLOKOSA-N 0 0 443.529 -0.475 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)C)c2)c(=O)n1C[C@@H]1CCOC1 ZINC000749868522 1072857107 /nfs/dbraw/zinc/85/71/07/1072857107.db2.gz GAPPSQXYGPJJHB-HNNXBMFYSA-N 0 0 445.545 -0.011 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)C)c2)c(=O)n1C[C@H]1CCOC1 ZINC000749868523 1072857017 /nfs/dbraw/zinc/85/70/17/1072857017.db2.gz GAPPSQXYGPJJHB-OAHLLOKOSA-N 0 0 445.545 -0.011 20 30 IBEDRN CCn1cc(C=c2sc(=C(C#N)C(=O)NCCCOC)n(C[C@@H]3CCOC3)c2=O)cn1 ZINC000749869272 1072857073 /nfs/dbraw/zinc/85/70/73/1072857073.db2.gz LHBMHESBRCSIJT-HNNXBMFYSA-N 0 0 445.545 -0.182 20 30 IBEDRN CCn1cc(C=c2sc(=C(C#N)C(=O)NCCCOC)n(C[C@H]3CCOC3)c2=O)cn1 ZINC000749869275 1072856945 /nfs/dbraw/zinc/85/69/45/1072856945.db2.gz LHBMHESBRCSIJT-OAHLLOKOSA-N 0 0 445.545 -0.182 20 30 IBEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1C[C@@H]1CCOC1 ZINC000749871280 1072857003 /nfs/dbraw/zinc/85/70/03/1072857003.db2.gz ZLTVMHDAFLZSGM-HNNXBMFYSA-N 0 0 445.545 -0.274 20 30 IBEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1C[C@H]1CCOC1 ZINC000749871282 1072856971 /nfs/dbraw/zinc/85/69/71/1072856971.db2.gz ZLTVMHDAFLZSGM-OAHLLOKOSA-N 0 0 445.545 -0.274 20 30 IBEDRN C#CCN1CCN(C(=O)CN2C(=O)N[C@]3(CCS(=O)(=O)c4ccc(F)cc43)C2=O)CC1 ZINC000749874695 1072857798 /nfs/dbraw/zinc/85/77/98/1072857798.db2.gz RORZBQMVUZHSJA-FQEVSTJZSA-N 0 0 448.476 -0.472 20 30 IBEDRN C#CCN1CCN(C(=O)CN2C(=O)N[C@@]3(CCS(=O)(=O)c4ccc(F)cc43)C2=O)CC1 ZINC000749874696 1072857763 /nfs/dbraw/zinc/85/77/63/1072857763.db2.gz RORZBQMVUZHSJA-HXUWFJFHSA-N 0 0 448.476 -0.472 20 30 IBEDRN C#CCN1CCN(C(=O)COc2ccc(C(=O)N3CCN(S(C)(=O)=O)CC3)cc2)CC1 ZINC000749874767 1072857478 /nfs/dbraw/zinc/85/74/78/1072857478.db2.gz XUAYFCPUUDPXGQ-UHFFFAOYSA-N 0 0 448.545 -0.440 20 30 IBEDRN C#CCN1CCN(C(=O)Cn2c(=O)c3c(nc(CO)n3CCC)n(CCCC)c2=O)CC1 ZINC000749875232 1072857726 /nfs/dbraw/zinc/85/77/26/1072857726.db2.gz FDJWGPSXNICZDX-UHFFFAOYSA-N 0 0 444.536 -0.161 20 30 IBEDRN C#CCN1CCN(C(=O)COn2nnc3ccc(S(=O)(=O)N(CC)CC)cc32)CC1 ZINC000749876354 1072857706 /nfs/dbraw/zinc/85/77/06/1072857706.db2.gz NXBVAXAHZGTSOZ-UHFFFAOYSA-N 0 0 434.522 -0.332 20 30 IBEDRN C#CCN1CCN(C(=O)CN2C(C(=O)OC)=NC3=NS(=O)(=O)c4ccccc4N32)CC1 ZINC000750002436 1073078807 /nfs/dbraw/zinc/07/88/07/1073078807.db2.gz DDMXLMCAXNKAMZ-UHFFFAOYSA-N 0 0 444.473 -0.869 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)Nc2cc(S(C)(=O)=O)ccc2F)C1=O ZINC000750021118 1072859169 /nfs/dbraw/zinc/85/91/69/1072859169.db2.gz LIEUQWQRXUGPBG-UHFFFAOYSA-N 0 0 441.393 -0.312 20 30 IBEDRN C#CCNC(=O)C1CCN(c2nc(OC)nc(N3CCC(C(=O)NCC#C)CC3)n2)CC1 ZINC000750024767 1072859063 /nfs/dbraw/zinc/85/90/63/1072859063.db2.gz BEQICNITTAHNNJ-UHFFFAOYSA-N 0 0 439.520 -0.188 20 30 IBEDRN C#CCNS(=O)(=O)c1cccc(C(=O)NCCNS(=O)(=O)Cc2ccon2)c1 ZINC000750076489 1072859498 /nfs/dbraw/zinc/85/94/98/1072859498.db2.gz MSXZVBJXFBKBMY-UHFFFAOYSA-N 0 0 426.476 -0.565 20 30 IBEDRN C#CCNS(=O)(=O)c1ccc(C(=O)NCCNS(=O)(=O)Cc2ccon2)cc1 ZINC000750078008 1072859586 /nfs/dbraw/zinc/85/95/86/1072859586.db2.gz XMMFMIPBDKSQMV-UHFFFAOYSA-N 0 0 426.476 -0.565 20 30 IBEDRN O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCCNS(=O)(=O)Cc1ccon1 ZINC000750080724 1072860010 /nfs/dbraw/zinc/86/00/10/1072860010.db2.gz PPUNSKMTTWARIB-UHFFFAOYSA-N 0 0 441.491 -0.661 20 30 IBEDRN C#CCNS(=O)(=O)c1cccc(C(=O)N(CCN(C)C)[C@H]2CCS(=O)(=O)C2)c1 ZINC000750186806 1072861089 /nfs/dbraw/zinc/86/10/89/1072861089.db2.gz HDXNLCPKLZGLAE-INIZCTEOSA-N 0 0 427.548 -0.211 20 30 IBEDRN C#CCNS(=O)(=O)c1cccc(C(=O)N(CCN(C)C)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000750186807 1072860960 /nfs/dbraw/zinc/86/09/60/1072860960.db2.gz HDXNLCPKLZGLAE-MRXNPFEDSA-N 0 0 427.548 -0.211 20 30 IBEDRN C#CCNS(=O)(=O)c1ccc(C(=O)N(CCN(C)C)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000750186871 1072861065 /nfs/dbraw/zinc/86/10/65/1072861065.db2.gz IBNGPQHNVPFULZ-INIZCTEOSA-N 0 0 427.548 -0.211 20 30 IBEDRN C#CCNS(=O)(=O)c1ccc(C(=O)N(CCN(C)C)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000750186873 1072860989 /nfs/dbraw/zinc/86/09/89/1072860989.db2.gz IBNGPQHNVPFULZ-MRXNPFEDSA-N 0 0 427.548 -0.211 20 30 IBEDRN CC(C)(C)NC(=O)CN1CCN(C(=O)COC(=O)CNC(=O)c2ccc(C#N)cc2)CC1 ZINC000750339420 1072863335 /nfs/dbraw/zinc/86/33/35/1072863335.db2.gz GZWLNHBFIFSKDY-UHFFFAOYSA-N 0 0 443.504 -0.110 20 30 IBEDRN CC(C)(C)NC(=O)CN1CCN(C(=O)COC(=O)CCNC(=O)C2N=CC=CC2=O)CC1 ZINC000750356150 1072863876 /nfs/dbraw/zinc/86/38/76/1072863876.db2.gz OQKWXPVGGLUXRM-FMQUCBEESA-N 0 0 449.508 -0.495 20 30 IBEDRN CC(C)(C)NC(=O)CN1CCN(C(=O)COC(=O)CCNC(=O)C2N=CC=CC2=O)CC1 ZINC000750356156 1072863845 /nfs/dbraw/zinc/86/38/45/1072863845.db2.gz OQKWXPVGGLUXRM-VXPUYCOJSA-N 0 0 449.508 -0.495 20 30 IBEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2cc(C(N)=O)c[nH]2)CC1 ZINC000750420065 1072864500 /nfs/dbraw/zinc/86/45/00/1072864500.db2.gz GIZXAQVORQUKRN-UHFFFAOYSA-N 0 0 445.457 -0.325 20 30 IBEDRN CC(=O)N1CCC[C@H]1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000750430326 1072865118 /nfs/dbraw/zinc/86/51/18/1072865118.db2.gz SLBPPNAVOPKCRR-KRWDZBQOSA-N 0 0 448.501 -0.055 20 30 IBEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)Cn3cnc4c3ncnc4N)CC2)o1 ZINC000750509775 1072865560 /nfs/dbraw/zinc/86/55/60/1072865560.db2.gz OMQXSHUZLZKULD-UHFFFAOYSA-N 0 0 425.409 -0.531 20 30 IBEDRN C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCc1nc2c([nH]1)n(C)c(=O)n(C)c2=O ZINC000750814149 1072871143 /nfs/dbraw/zinc/87/11/43/1072871143.db2.gz QRYOQDPIHWRIFT-JTQLQIEISA-N 0 0 446.445 -0.758 20 30 IBEDRN C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCc1nc2c([nH]1)n(C)c(=O)n(C)c2=O ZINC000750814158 1072871539 /nfs/dbraw/zinc/87/15/39/1072871539.db2.gz QRYOQDPIHWRIFT-SNVBAGLBSA-N 0 0 446.445 -0.758 20 30 IBEDRN C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCc1nc2c([nH]1)n(C)c(=O)n(C)c2=O ZINC000750815634 1072871548 /nfs/dbraw/zinc/87/15/48/1072871548.db2.gz RXDJERANTNIRQZ-JTQLQIEISA-N 0 0 446.445 -0.758 20 30 IBEDRN C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCc1nc2c([nH]1)n(C)c(=O)n(C)c2=O ZINC000750815635 1072871501 /nfs/dbraw/zinc/87/15/01/1072871501.db2.gz RXDJERANTNIRQZ-SNVBAGLBSA-N 0 0 446.445 -0.758 20 30 IBEDRN Cc1cccc(S(=O)(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)c1C#N ZINC000751013323 1072872699 /nfs/dbraw/zinc/87/26/99/1072872699.db2.gz FYWXMSDJUMNYQA-AWEZNQCLSA-N 0 0 447.560 -0.310 20 30 IBEDRN Cc1cccc(S(=O)(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)c1C#N ZINC000751013327 1072872910 /nfs/dbraw/zinc/87/29/10/1072872910.db2.gz FYWXMSDJUMNYQA-CQSZACIVSA-N 0 0 447.560 -0.310 20 30 IBEDRN C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc(Cl)nc2C(=O)OC)CC1 ZINC000751106253 1072873464 /nfs/dbraw/zinc/87/34/64/1072873464.db2.gz GRANAHGWJKLRLC-UHFFFAOYSA-N 0 0 428.898 -0.033 20 30 IBEDRN C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)CN2C(=O)C(=O)N(CC=C)C2=O)c1 ZINC000751109625 1072873550 /nfs/dbraw/zinc/87/35/50/1072873550.db2.gz STHSTHPXZFPOOX-UHFFFAOYSA-N 0 0 438.440 -0.164 20 30 IBEDRN COC(=O)[C@@H](c1cccc(C#N)c1)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000751469420 1072875536 /nfs/dbraw/zinc/87/55/36/1072875536.db2.gz YVVJWDLAPMFQQL-DLBZAZTESA-N 0 0 441.531 -0.093 20 30 IBEDRN COC(=O)[C@@H](c1cccc(C#N)c1)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000751469427 1072875512 /nfs/dbraw/zinc/87/55/12/1072875512.db2.gz YVVJWDLAPMFQQL-IAGOWNOFSA-N 0 0 441.531 -0.093 20 30 IBEDRN COC(=O)[C@H](c1cccc(C#N)c1)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000751469429 1072875864 /nfs/dbraw/zinc/87/58/64/1072875864.db2.gz YVVJWDLAPMFQQL-IRXDYDNUSA-N 0 0 441.531 -0.093 20 30 IBEDRN COC(=O)[C@H](c1cccc(C#N)c1)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000751469431 1072875835 /nfs/dbraw/zinc/87/58/35/1072875835.db2.gz YVVJWDLAPMFQQL-SJORKVTESA-N 0 0 441.531 -0.093 20 30 IBEDRN COc1cc(C)c(C=c2sc(=C(C#N)C#N)n(CCNS(C)(=O)=O)c2=O)cc1OC ZINC000751554332 1072876748 /nfs/dbraw/zinc/87/67/48/1072876748.db2.gz ZZWTYZJUTNUURP-UHFFFAOYSA-N 0 0 448.526 -0.189 20 30 IBEDRN Cn1c2ncn(CC(=O)O[C@@H]3CCN(c4sccc4C#N)C3=O)c2c(=O)n(C)c1=O ZINC000751628722 1072877683 /nfs/dbraw/zinc/87/76/83/1072877683.db2.gz RWDCZSCZOSSBLA-LLVKDONJSA-N 0 0 428.430 -0.284 20 30 IBEDRN Cn1c2ncn(CC(=O)O[C@H]3CCN(c4sccc4C#N)C3=O)c2c(=O)n(C)c1=O ZINC000751628724 1072877920 /nfs/dbraw/zinc/87/79/20/1072877920.db2.gz RWDCZSCZOSSBLA-NSHDSACASA-N 0 0 428.430 -0.284 20 30 IBEDRN Cn1cnc2c1c(=O)n(CC(=O)O[C@@H]1CCN(c3sccc3C#N)C1=O)c(=O)n2C ZINC000751633311 1072877862 /nfs/dbraw/zinc/87/78/62/1072877862.db2.gz CAAMSOGQEUVUQI-LLVKDONJSA-N 0 0 428.430 -0.284 20 30 IBEDRN Cn1cnc2c1c(=O)n(CC(=O)O[C@H]1CCN(c3sccc3C#N)C1=O)c(=O)n2C ZINC000751633313 1072877822 /nfs/dbraw/zinc/87/78/22/1072877822.db2.gz CAAMSOGQEUVUQI-NSHDSACASA-N 0 0 428.430 -0.284 20 30 IBEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@@H]3CC(=O)N(c4cn[nH]c4)C3)CC2)o1 ZINC000751671840 1072878278 /nfs/dbraw/zinc/87/82/78/1072878278.db2.gz OVVZYAVKEACKIL-CYBMUJFWSA-N 0 0 427.421 -0.177 20 30 IBEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@H]3CC(=O)N(c4cn[nH]c4)C3)CC2)o1 ZINC000751671853 1072878152 /nfs/dbraw/zinc/87/81/52/1072878152.db2.gz OVVZYAVKEACKIL-ZDUSSCGKSA-N 0 0 427.421 -0.177 20 30 IBEDRN COCCn1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCSC)c2=O)cn1 ZINC000751824293 1072879781 /nfs/dbraw/zinc/87/97/81/1072879781.db2.gz JXKOMPXEOZPVHI-UHFFFAOYSA-N 0 0 433.559 -0.103 20 30 IBEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(CCOC)c2)c(=O)n1CCSC ZINC000751830461 1072879678 /nfs/dbraw/zinc/87/96/78/1072879678.db2.gz FNQLFJAHSFEUND-UHFFFAOYSA-N 0 0 433.559 -0.079 20 30 IBEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cnn(C)c3)c(=O)n2CCSC)CC1 ZINC000751831522 1072879915 /nfs/dbraw/zinc/87/99/15/1072879915.db2.gz JUJFYYDTXUWVOA-UHFFFAOYSA-N 0 0 446.602 -0.327 20 30 IBEDRN CCn1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CCSC)c2=O)cn1 ZINC000751831703 1072879736 /nfs/dbraw/zinc/87/97/36/1072879736.db2.gz OUJKPIODUQDMKO-UHFFFAOYSA-N 0 0 433.559 -0.149 20 30 IBEDRN C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(OC)c(CNC(=O)CC)c2)CC1 ZINC000751984313 1072880869 /nfs/dbraw/zinc/88/08/69/1072880869.db2.gz AAFITPIDQDEIFE-UHFFFAOYSA-N 0 0 436.534 -0.223 20 30 IBEDRN C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc3c(c2)C[C@H](C(=O)OCC)O3)CC1 ZINC000751984408 1072880845 /nfs/dbraw/zinc/88/08/45/1072880845.db2.gz DIDYUNIGGXOUJE-GOSISDBHSA-N 0 0 435.502 -0.391 20 30 IBEDRN C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc3c(c2)C[C@@H](C(=O)OCC)O3)CC1 ZINC000751984409 1072880858 /nfs/dbraw/zinc/88/08/58/1072880858.db2.gz DIDYUNIGGXOUJE-SFHVURJKSA-N 0 0 435.502 -0.391 20 30 IBEDRN C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc3c(c2)C[C@@H](C(=O)OCC)O3)CC1 ZINC000751992421 1072881189 /nfs/dbraw/zinc/88/11/89/1072881189.db2.gz STUNBZLMVHIVNA-IBGZPJMESA-N 0 0 449.529 -0.001 20 30 IBEDRN C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc3c(c2)C[C@H](C(=O)OCC)O3)CC1 ZINC000751992422 1072881339 /nfs/dbraw/zinc/88/13/39/1072881339.db2.gz STUNBZLMVHIVNA-LJQANCHMSA-N 0 0 449.529 -0.001 20 30 IBEDRN CN1C(=O)CC[C@H]1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000752031074 1072881584 /nfs/dbraw/zinc/88/15/84/1072881584.db2.gz IEZRTXKSQCLUDE-HNNXBMFYSA-N 0 0 434.474 -0.445 20 30 IBEDRN CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)CCN=C2NS(=O)(=O)c3ccccc32)C1=O ZINC000752041284 1072881713 /nfs/dbraw/zinc/88/17/13/1072881713.db2.gz GXEXLWJEZRUHOO-BLVKFPJESA-N 0 0 433.490 -0.048 20 30 IBEDRN CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)CCN=C2NS(=O)(=O)c3ccccc32)C1=O ZINC000752041290 1072881602 /nfs/dbraw/zinc/88/16/02/1072881602.db2.gz GXEXLWJEZRUHOO-BUXKBTBVSA-N 0 0 433.490 -0.048 20 30 IBEDRN CCN1C(=O)[C@@H]2CN(C(=O)C[C@H](C)N=C3NS(=O)(=O)c4ccccc43)CCN2C1=O ZINC000752063240 1072882111 /nfs/dbraw/zinc/88/21/11/1072882111.db2.gz YSRRHFAEQWLOTD-JSGCOSHPSA-N 0 0 433.490 -0.001 20 30 IBEDRN CCN1C(=O)[C@@H]2CN(C(=O)C[C@@H](C)N=C3NS(=O)(=O)c4ccccc43)CCN2C1=O ZINC000752063242 1072882231 /nfs/dbraw/zinc/88/22/31/1072882231.db2.gz YSRRHFAEQWLOTD-OCCSQVGLSA-N 0 0 433.490 -0.001 20 30 IBEDRN COC(=O)[C@]1(F)CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 ZINC000752091288 1072882195 /nfs/dbraw/zinc/88/21/95/1072882195.db2.gz XPFMTDYTJMFWLY-IBGZPJMESA-N 0 0 438.481 -0.022 20 30 IBEDRN COC(=O)[C@@]1(F)CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 ZINC000752091289 1072882069 /nfs/dbraw/zinc/88/20/69/1072882069.db2.gz XPFMTDYTJMFWLY-LJQANCHMSA-N 0 0 438.481 -0.022 20 30 IBEDRN CN1CCCC1=NS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN3C(=O)NC[C@@H]3C2)cc1 ZINC000752142420 1072883130 /nfs/dbraw/zinc/88/31/30/1072883130.db2.gz PGXKKSVRCNSPKS-AWMROSOHSA-N 0 0 448.505 -0.326 20 30 IBEDRN CN1CCCC1=NS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN3C(=O)NC[C@H]3C2)cc1 ZINC000752142431 1072883062 /nfs/dbraw/zinc/88/30/62/1072883062.db2.gz PGXKKSVRCNSPKS-DJFNHCPNSA-N 0 0 448.505 -0.326 20 30 IBEDRN CN1CCCC1=NS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN3C(=O)NC[C@@H]3C2)cc1 ZINC000752142434 1072883119 /nfs/dbraw/zinc/88/31/19/1072883119.db2.gz PGXKKSVRCNSPKS-TYIKUYDASA-N 0 0 448.505 -0.326 20 30 IBEDRN CN1CCCC1=NS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN3C(=O)NC[C@H]3C2)cc1 ZINC000752142439 1072883105 /nfs/dbraw/zinc/88/31/05/1072883105.db2.gz PGXKKSVRCNSPKS-USIKMKBCSA-N 0 0 448.505 -0.326 20 30 IBEDRN CN1CCCC1=NS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCN3C(=O)NC[C@@H]3C2)c1 ZINC000752143971 1072883088 /nfs/dbraw/zinc/88/30/88/1072883088.db2.gz VKKQOVRXAJMZQP-AWMROSOHSA-N 0 0 448.505 -0.326 20 30 IBEDRN CN1CCCC1=NS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCN3C(=O)NC[C@H]3C2)c1 ZINC000752143973 1072883160 /nfs/dbraw/zinc/88/31/60/1072883160.db2.gz VKKQOVRXAJMZQP-DJFNHCPNSA-N 0 0 448.505 -0.326 20 30 IBEDRN CN1CCCC1=NS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCN3C(=O)NC[C@@H]3C2)c1 ZINC000752143979 1072883407 /nfs/dbraw/zinc/88/34/07/1072883407.db2.gz VKKQOVRXAJMZQP-TYIKUYDASA-N 0 0 448.505 -0.326 20 30 IBEDRN CN1CCCC1=NS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCN3C(=O)NC[C@H]3C2)c1 ZINC000752143984 1072883423 /nfs/dbraw/zinc/88/34/23/1072883423.db2.gz VKKQOVRXAJMZQP-USIKMKBCSA-N 0 0 448.505 -0.326 20 30 IBEDRN CCc1ncc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CCOC)c2=O)s1 ZINC000752195487 1072883513 /nfs/dbraw/zinc/88/35/13/1072883513.db2.gz YEKTYIYLIRXFIH-UHFFFAOYSA-N 0 0 434.543 -0.063 20 30 IBEDRN O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H](O)CS(=O)(=O)c1cccs1 ZINC000752341665 1072884296 /nfs/dbraw/zinc/88/42/96/1072884296.db2.gz HNIVHOZFOZTSAM-LLVKDONJSA-N 0 0 443.528 -0.262 20 30 IBEDRN O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NC[C@H](O)CS(=O)(=O)c1cccs1 ZINC000752341666 1072884439 /nfs/dbraw/zinc/88/44/39/1072884439.db2.gz HNIVHOZFOZTSAM-NSHDSACASA-N 0 0 443.528 -0.262 20 30 IBEDRN CCOC(=O)Nc1ccc(NC(=O)C(=O)NCC(=O)N2CCC[C@H]2C(=O)NC)cc1C#N ZINC000752395944 1072884653 /nfs/dbraw/zinc/88/46/53/1072884653.db2.gz BHIGLNBIEUMDOJ-HNNXBMFYSA-N 0 0 444.448 -0.082 20 30 IBEDRN CCOC(=O)Nc1ccc(NC(=O)C(=O)NCC(=O)N2CCC[C@@H]2C(=O)NC)cc1C#N ZINC000752395945 1072884871 /nfs/dbraw/zinc/88/48/71/1072884871.db2.gz BHIGLNBIEUMDOJ-OAHLLOKOSA-N 0 0 444.448 -0.082 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)[C@H]2CC(=O)N(c3cc(OC)cc(OC)c3)C2)CC1 ZINC000752413362 1072885317 /nfs/dbraw/zinc/88/53/17/1072885317.db2.gz LZLYEDJBMSEYDE-INIZCTEOSA-N 0 0 428.489 -0.050 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CC(=O)N(c3cc(OC)cc(OC)c3)C2)CC1 ZINC000752413367 1072885409 /nfs/dbraw/zinc/88/54/09/1072885409.db2.gz LZLYEDJBMSEYDE-MRXNPFEDSA-N 0 0 428.489 -0.050 20 30 IBEDRN CN(CCN1CCCS1(=O)=O)C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 ZINC000752667182 1072886763 /nfs/dbraw/zinc/88/67/63/1072886763.db2.gz XEWVWDVOOKYPJK-UHFFFAOYSA-N 0 0 428.536 -0.001 20 30 IBEDRN C[C@H](CC(=O)N(C)CCN1CCCS1(=O)=O)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000752669517 1072886811 /nfs/dbraw/zinc/88/68/11/1072886811.db2.gz LFMHDTKAABBPKQ-CYBMUJFWSA-N 0 0 428.536 -0.002 20 30 IBEDRN C[C@@H](CC(=O)N(C)CCN1CCCS1(=O)=O)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000752669521 1072887032 /nfs/dbraw/zinc/88/70/32/1072887032.db2.gz LFMHDTKAABBPKQ-ZDUSSCGKSA-N 0 0 428.536 -0.002 20 30 IBEDRN N#Cc1ccc(CN2CC[C@H](NC(=O)NCCS(=O)(=O)N3CCOCC3)C2=O)cc1 ZINC000753120612 1072889343 /nfs/dbraw/zinc/88/93/43/1072889343.db2.gz LJJXCBPQBFMOBO-KRWDZBQOSA-N 0 0 435.506 -0.380 20 30 IBEDRN N#Cc1ccc(CN2CC[C@@H](NC(=O)NCCS(=O)(=O)N3CCOCC3)C2=O)cc1 ZINC000753120613 1072889232 /nfs/dbraw/zinc/88/92/32/1072889232.db2.gz LJJXCBPQBFMOBO-QGZVFWFLSA-N 0 0 435.506 -0.380 20 30 IBEDRN CCN(CCS(C)(=O)=O)CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000753207287 1072890435 /nfs/dbraw/zinc/89/04/35/1072890435.db2.gz ONEWTUPPSBHFDC-UHFFFAOYSA-N 0 0 442.563 -0.242 20 30 IBEDRN C[C@H](CC(=O)NC[C@H]1CCN(S(C)(=O)=O)C1)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000753296654 1072890988 /nfs/dbraw/zinc/89/09/88/1072890988.db2.gz BOWAVKYAZDWQAF-CHWSQXEVSA-N 0 0 428.536 -0.099 20 30 IBEDRN C[C@H](CC(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000753296660 1072890767 /nfs/dbraw/zinc/89/07/67/1072890767.db2.gz BOWAVKYAZDWQAF-OLZOCXBDSA-N 0 0 428.536 -0.099 20 30 IBEDRN CCOCCn1c(=O)c(=Cc2c[nH]c(C(=O)OC)c2)sc1=C(C#N)C(=O)NC1CC1 ZINC000753356325 1072891286 /nfs/dbraw/zinc/89/12/86/1072891286.db2.gz BEFKIWNQFSBZLG-UHFFFAOYSA-N 0 0 430.486 -0.157 20 30 IBEDRN CCCn1c(=O)c(=Cc2c[nH]c(C(=O)OC)c2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000753356461 1072891395 /nfs/dbraw/zinc/89/13/95/1072891395.db2.gz CPHBOZHJMJQLBM-UHFFFAOYSA-N 0 0 430.486 -0.204 20 30 IBEDRN COC(=O)c1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@@H]3CCCO3)c2=O)c[nH]1 ZINC000753357344 1072891146 /nfs/dbraw/zinc/89/11/46/1072891146.db2.gz HQXHIDPYRDNCHC-AWEZNQCLSA-N 0 0 442.497 -0.015 20 30 IBEDRN COC(=O)c1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@H]3CCCO3)c2=O)c[nH]1 ZINC000753357358 1072891434 /nfs/dbraw/zinc/89/14/34/1072891434.db2.gz HQXHIDPYRDNCHC-CQSZACIVSA-N 0 0 442.497 -0.015 20 30 IBEDRN C=CCn1c(=O)c(=Cc2c[nH]c(C(=O)OC)c2)sc1=C(C#N)C(=O)NCCCOC ZINC000753357959 1072891301 /nfs/dbraw/zinc/89/13/01/1072891301.db2.gz JUBWRRUMLXEHCE-UHFFFAOYSA-N 0 0 430.486 -0.134 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2c[nH]c(C(=O)OC)c2)c(=O)n1CC(C)C ZINC000753358378 1072891422 /nfs/dbraw/zinc/89/14/22/1072891422.db2.gz METVOPVUXAVINR-UHFFFAOYSA-N 0 0 432.502 -0.054 20 30 IBEDRN COC(=O)c1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C3CC3)c2=O)c[nH]1 ZINC000753358403 1072891318 /nfs/dbraw/zinc/89/13/18/1072891318.db2.gz MLFSYAAXHLBKGN-UHFFFAOYSA-N 0 0 428.470 -0.279 20 30 IBEDRN C=CCn1c(=O)c(=Cc2c[nH]c(C(=O)OC)c2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000753358473 1072891224 /nfs/dbraw/zinc/89/12/24/1072891224.db2.gz NGQSITMSZSXVHC-UHFFFAOYSA-N 0 0 428.470 -0.428 20 30 IBEDRN COCCn1c(=O)c(=Cc2c[nH]c(C(=O)OC)c2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000753359166 1072891332 /nfs/dbraw/zinc/89/13/32/1072891332.db2.gz NYDOIEQFOWVFGB-UHFFFAOYSA-N 0 0 446.485 -0.967 20 30 IBEDRN COCCn1c(=O)c(=Cc2c[nH]c(C(=O)OC)c2)sc1=C(C#N)C(=O)N1CCCC1 ZINC000753359346 1072891346 /nfs/dbraw/zinc/89/13/46/1072891346.db2.gz PCXCPRLKUYHCIT-UHFFFAOYSA-N 0 0 430.486 -0.204 20 30 IBEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2c[nH]c(C(=O)OC)c2)c(=O)n1CCOCC ZINC000753359519 1072891257 /nfs/dbraw/zinc/89/12/57/1072891257.db2.gz SLGQUZVKRVNCRL-UHFFFAOYSA-N 0 0 430.486 -0.134 20 30 IBEDRN COCCn1c(=O)c(=Cc2c[nH]c(C(=O)OC)c2)sc1=C(C#N)C(=O)NCC(C)C ZINC000753359525 1072891271 /nfs/dbraw/zinc/89/12/71/1072891271.db2.gz SLKRPSZMFRZDMD-UHFFFAOYSA-N 0 0 432.502 -0.054 20 30 IBEDRN C#CCOCCNC(=O)N1CC(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000753380998 1072891162 /nfs/dbraw/zinc/89/11/62/1072891162.db2.gz JHMBSVYYRYDQDM-UHFFFAOYSA-N 0 0 430.527 -0.088 20 30 IBEDRN COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)NCCNC(=O)C2N=CC=CC2=O)C1 ZINC000753512520 1072892151 /nfs/dbraw/zinc/89/21/51/1072892151.db2.gz JLZOWMMLSVFVDM-HYEKCJMVSA-N 0 0 443.526 -0.405 20 30 IBEDRN COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)NCCNC(=O)C2N=CC=CC2=O)C1 ZINC000753512523 1072892297 /nfs/dbraw/zinc/89/22/97/1072892297.db2.gz JLZOWMMLSVFVDM-UPTRSRDDSA-N 0 0 443.526 -0.405 20 30 IBEDRN COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)NCCNC(=O)C2N=CC=CC2=O)C1 ZINC000753512536 1072892266 /nfs/dbraw/zinc/89/22/66/1072892266.db2.gz JLZOWMMLSVFVDM-UVTIVQHFSA-N 0 0 443.526 -0.405 20 30 IBEDRN COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)NCCNC(=O)C2N=CC=CC2=O)C1 ZINC000753512547 1072892321 /nfs/dbraw/zinc/89/23/21/1072892321.db2.gz JLZOWMMLSVFVDM-VUAZUDAXSA-N 0 0 443.526 -0.405 20 30 IBEDRN C#CCNS(=O)(=O)c1cccc(C(=O)O[C@@H](C)C(=O)N[C@@H]2CCS(=O)(=O)C2)c1 ZINC000753656470 1072893198 /nfs/dbraw/zinc/89/31/98/1072893198.db2.gz BPBZSXQZAFTFLG-GXTWGEPZSA-N 0 0 428.488 -0.553 20 30 IBEDRN C#CCNS(=O)(=O)c1cccc(C(=O)O[C@@H](C)C(=O)N[C@H]2CCS(=O)(=O)C2)c1 ZINC000753656475 1072893265 /nfs/dbraw/zinc/89/32/65/1072893265.db2.gz BPBZSXQZAFTFLG-JSGCOSHPSA-N 0 0 428.488 -0.553 20 30 IBEDRN C#CCNS(=O)(=O)c1cccc(C(=O)O[C@H](C)C(=O)N[C@H]2CCS(=O)(=O)C2)c1 ZINC000753656478 1072893251 /nfs/dbraw/zinc/89/32/51/1072893251.db2.gz BPBZSXQZAFTFLG-OCCSQVGLSA-N 0 0 428.488 -0.553 20 30 IBEDRN C#CCNS(=O)(=O)c1cccc(C(=O)O[C@H](C)C(=O)N[C@@H]2CCS(=O)(=O)C2)c1 ZINC000753656481 1072893113 /nfs/dbraw/zinc/89/31/13/1072893113.db2.gz BPBZSXQZAFTFLG-TZMCWYRMSA-N 0 0 428.488 -0.553 20 30 IBEDRN CS(=O)(=O)N1CC[C@H](CNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1 ZINC000753672540 1072893619 /nfs/dbraw/zinc/89/36/19/1072893619.db2.gz BFAUNBWDUASMKO-CYBMUJFWSA-N 0 0 428.536 -0.097 20 30 IBEDRN CS(=O)(=O)N1CC[C@@H](CNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1 ZINC000753672551 1072893567 /nfs/dbraw/zinc/89/35/67/1072893567.db2.gz BFAUNBWDUASMKO-ZDUSSCGKSA-N 0 0 428.536 -0.097 20 30 IBEDRN O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NC1CCN(S(=O)(=O)C2CC2)CC1 ZINC000753786762 1072894701 /nfs/dbraw/zinc/89/47/01/1072894701.db2.gz PBNOYHBSRRMVFD-UHFFFAOYSA-N 0 0 426.520 -0.202 20 30 IBEDRN CCn1nccc1C=c1sc(=C(C#N)C(=O)N2CCN(CC)CC2)n(CCOC)c1=O ZINC000753787739 1072895179 /nfs/dbraw/zinc/89/51/79/1072895179.db2.gz BGHAHTYQFGHSNS-UHFFFAOYSA-N 0 0 444.561 -0.560 20 30 IBEDRN CCn1nccc1C=c1sc(=C(C#N)C#N)n(Cc2ccc(S(N)(=O)=O)cc2)c1=O ZINC000753787987 1072895357 /nfs/dbraw/zinc/89/53/57/1072895357.db2.gz GYTUKVNBCZAGSC-UHFFFAOYSA-N 0 0 440.510 -0.151 20 30 IBEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2CC)c(=O)n1CCS(C)(=O)=O ZINC000753788543 1072894750 /nfs/dbraw/zinc/89/47/50/1072894750.db2.gz DPXIUMVTCXTVNB-UHFFFAOYSA-N 0 0 437.547 -0.800 20 30 IBEDRN CCn1nccc1C=c1sc(=C(C#N)C(=O)N2CCSCC2)n(CCOC)c1=O ZINC000753789018 1072895302 /nfs/dbraw/zinc/89/53/02/1072895302.db2.gz RQTBYXDCWAXUIO-UHFFFAOYSA-N 0 0 433.559 -0.149 20 30 IBEDRN CCn1nccc1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(CCS(C)(=O)=O)c1=O ZINC000753790292 1072895125 /nfs/dbraw/zinc/89/51/25/1072895125.db2.gz OVYBJHZYRVGDSH-UHFFFAOYSA-N 0 0 449.558 -0.704 20 30 IBEDRN CCn1nccc1C=c1sc(=C(C#N)C(=O)NC(C)C)n(CCS(C)(=O)=O)c1=O ZINC000753791547 1072895210 /nfs/dbraw/zinc/89/52/10/1072895210.db2.gz UCQMCJAHJRUFMB-UHFFFAOYSA-N 0 0 437.547 -0.802 20 30 IBEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CN(C)CCN2C(=O)c3ccccc3C2=O)c1=O ZINC000753980572 1072896601 /nfs/dbraw/zinc/89/66/01/1072896601.db2.gz LQSSUSOHRDDDTB-UHFFFAOYSA-N 0 0 425.445 -0.271 20 30 IBEDRN CN1N=C(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCC1=O ZINC000753982732 1072896623 /nfs/dbraw/zinc/89/66/23/1072896623.db2.gz KJWQIWZOBWIHNI-UHFFFAOYSA-N 0 0 447.473 -0.457 20 30 IBEDRN C#CCNC(=O)CN1CCCN(C(=O)c2cnc3c(c2CC)c(=O)n(C)c(=O)n3C)CC1 ZINC000754021555 1072897497 /nfs/dbraw/zinc/89/74/97/1072897497.db2.gz HSLFSNGXEGRJLE-UHFFFAOYSA-N 0 0 440.504 -0.908 20 30 IBEDRN CCCN(CCC)S(=O)(=O)N1CCN(C(=O)C(=O)Nc2cnn(CC#N)c2)CC1 ZINC000754024255 1072897757 /nfs/dbraw/zinc/89/77/57/1072897757.db2.gz DWASAQGPBCGNNP-UHFFFAOYSA-N 0 0 425.515 -0.144 20 30 IBEDRN CCc1c(C(=O)NCCNC(=O)C2N=CC=CC2=O)cnc2c1c(=O)n(C)c(=O)n2C ZINC000754027074 1072897848 /nfs/dbraw/zinc/89/78/48/1072897848.db2.gz DLFUNUIUDJVCNG-OBGWFSINSA-N 0 0 426.433 -0.549 20 30 IBEDRN CCc1c(C(=O)NCCNC(=O)C2N=CC=CC2=O)cnc2c1c(=O)n(C)c(=O)n2C ZINC000754027076 1072897545 /nfs/dbraw/zinc/89/75/45/1072897545.db2.gz DLFUNUIUDJVCNG-SDXDJHTJSA-N 0 0 426.433 -0.549 20 30 IBEDRN COCCN(C(=O)CON=C(N)c1ccc(S(C)(=O)=O)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000754282690 1072899498 /nfs/dbraw/zinc/89/94/98/1072899498.db2.gz ZWSQPRRDALIBNL-AWEZNQCLSA-N 0 0 447.535 -0.611 20 30 IBEDRN COCCN(C(=O)CON=C(N)c1ccc(S(C)(=O)=O)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000754282692 1072899462 /nfs/dbraw/zinc/89/94/62/1072899462.db2.gz ZWSQPRRDALIBNL-CQSZACIVSA-N 0 0 447.535 -0.611 20 30 IBEDRN C#CCN1CCN(C(=O)CNc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)CC1 ZINC000754301404 1072899939 /nfs/dbraw/zinc/89/99/39/1072899939.db2.gz GBSDLXGWSVNSMM-UHFFFAOYSA-N 0 0 436.534 -0.095 20 30 IBEDRN C#CCN1CCN(C(=O)CNc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)CC1 ZINC000754303218 1072900317 /nfs/dbraw/zinc/90/03/17/1072900317.db2.gz QJILCMVSXZDCRT-UHFFFAOYSA-N 0 0 436.534 -0.095 20 30 IBEDRN Cc1nc(S(=O)(=O)NCC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)cn1C ZINC000754379003 1072902833 /nfs/dbraw/zinc/90/28/33/1072902833.db2.gz JHCCADCFRAUSOE-CYBMUJFWSA-N 0 0 426.499 -0.022 20 30 IBEDRN Cc1nc(S(=O)(=O)NCC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cn1C ZINC000754379004 1072902907 /nfs/dbraw/zinc/90/29/07/1072902907.db2.gz JHCCADCFRAUSOE-ZDUSSCGKSA-N 0 0 426.499 -0.022 20 30 IBEDRN CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)[C@@H](C#N)C1 ZINC000754384382 1072903124 /nfs/dbraw/zinc/90/31/24/1072903124.db2.gz KZDLQYSOHQCUSR-ILXRZTDVSA-N 0 0 440.522 -0.007 20 30 IBEDRN CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)[C@@H](C#N)C1 ZINC000754384384 1072903054 /nfs/dbraw/zinc/90/30/54/1072903054.db2.gz KZDLQYSOHQCUSR-KFWWJZLASA-N 0 0 440.522 -0.007 20 30 IBEDRN CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)[C@H](C#N)C1 ZINC000754384387 1072902957 /nfs/dbraw/zinc/90/29/57/1072902957.db2.gz KZDLQYSOHQCUSR-QLFBSQMISA-N 0 0 440.522 -0.007 20 30 IBEDRN CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)[C@H](C#N)C1 ZINC000754384389 1072903172 /nfs/dbraw/zinc/90/31/72/1072903172.db2.gz KZDLQYSOHQCUSR-RBSFLKMASA-N 0 0 440.522 -0.007 20 30 IBEDRN Cn1c2ncn(CC(=O)N3CCN(C(=O)OC(C)(C)C)C[C@H]3C#N)c2c(=O)n(C)c1=O ZINC000754387493 1072903104 /nfs/dbraw/zinc/90/31/04/1072903104.db2.gz UXUWBTONEBOLAK-GFCCVEGCSA-N 0 0 431.453 -0.595 20 30 IBEDRN Cn1c2ncn(CC(=O)N3CCN(C(=O)OC(C)(C)C)C[C@@H]3C#N)c2c(=O)n(C)c1=O ZINC000754387507 1072903160 /nfs/dbraw/zinc/90/31/60/1072903160.db2.gz UXUWBTONEBOLAK-LBPRGKRZSA-N 0 0 431.453 -0.595 20 30 IBEDRN Cn1c2ncn(CCC(=O)N3CCN(C(=O)OC(C)(C)C)C[C@H]3C#N)c2c(=O)n(C)c1=O ZINC000754387710 1072903068 /nfs/dbraw/zinc/90/30/68/1072903068.db2.gz WBWYFSUDEVGXIZ-CYBMUJFWSA-N 0 0 445.480 -0.205 20 30 IBEDRN Cn1c2ncn(CCC(=O)N3CCN(C(=O)OC(C)(C)C)C[C@@H]3C#N)c2c(=O)n(C)c1=O ZINC000754387713 1072903033 /nfs/dbraw/zinc/90/30/33/1072903033.db2.gz WBWYFSUDEVGXIZ-ZDUSSCGKSA-N 0 0 445.480 -0.205 20 30 IBEDRN C[C@@H](CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1)S(C)(=O)=O ZINC000754506171 1072903688 /nfs/dbraw/zinc/90/36/88/1072903688.db2.gz CBITUGIGOWVUNN-BMOWLENRSA-N 0 0 444.535 -0.013 20 30 IBEDRN C[C@H](CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1)S(C)(=O)=O ZINC000754506174 1072903522 /nfs/dbraw/zinc/90/35/22/1072903522.db2.gz CBITUGIGOWVUNN-FTRNENOISA-N 0 0 444.535 -0.013 20 30 IBEDRN C[C@H](CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1)S(C)(=O)=O ZINC000754506177 1072903776 /nfs/dbraw/zinc/90/37/76/1072903776.db2.gz CBITUGIGOWVUNN-FWORZXNSSA-N 0 0 444.535 -0.013 20 30 IBEDRN C[C@@H](CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1)S(C)(=O)=O ZINC000754506180 1072903595 /nfs/dbraw/zinc/90/35/95/1072903595.db2.gz CBITUGIGOWVUNN-PQXWDWFGSA-N 0 0 444.535 -0.013 20 30 IBEDRN C[C@@H](CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1)S(C)(=O)=O ZINC000754508650 1072904321 /nfs/dbraw/zinc/90/43/21/1072904321.db2.gz VOQTXPJHOKNYRQ-BMOWLENRSA-N 0 0 444.535 -0.013 20 30 IBEDRN C[C@H](CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1)S(C)(=O)=O ZINC000754508651 1072904154 /nfs/dbraw/zinc/90/41/54/1072904154.db2.gz VOQTXPJHOKNYRQ-FTRNENOISA-N 0 0 444.535 -0.013 20 30 IBEDRN C[C@H](CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1)S(C)(=O)=O ZINC000754508652 1072904373 /nfs/dbraw/zinc/90/43/73/1072904373.db2.gz VOQTXPJHOKNYRQ-FWORZXNSSA-N 0 0 444.535 -0.013 20 30 IBEDRN C[C@@H](CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1)S(C)(=O)=O ZINC000754508653 1072904313 /nfs/dbraw/zinc/90/43/13/1072904313.db2.gz VOQTXPJHOKNYRQ-PQXWDWFGSA-N 0 0 444.535 -0.013 20 30 IBEDRN Cn1ncc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1N ZINC000754538866 1072905420 /nfs/dbraw/zinc/90/54/20/1072905420.db2.gz YTWHIQWHCVHIFH-UHFFFAOYSA-N 0 0 432.462 -0.436 20 30 IBEDRN C#CCN1CCN(C(=O)CNc2cc(S(=O)(=O)N(C)C)ccc2N2CCOCC2)CC1 ZINC000754692865 1072907053 /nfs/dbraw/zinc/90/70/53/1072907053.db2.gz DCPGVPUEQNPSLE-UHFFFAOYSA-N 0 0 449.577 -0.037 20 30 IBEDRN CCS(=O)(=O)N1CCC(CNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC000754751343 1072906944 /nfs/dbraw/zinc/90/69/44/1072906944.db2.gz AJTQRAMPNAWEMF-UHFFFAOYSA-N 0 0 428.536 -0.097 20 30 IBEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CN(C)c2ccccc2S(=O)(=O)N(C)C)c1=O ZINC000754761475 1072907186 /nfs/dbraw/zinc/90/71/86/1072907186.db2.gz XQSRECXDXIFCIE-UHFFFAOYSA-N 0 0 435.506 -0.112 20 30 IBEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCc3ccc(S(=O)(=O)N(C)C)cc32)c1=O ZINC000754762013 1072907480 /nfs/dbraw/zinc/90/74/80/1072907480.db2.gz ASXYCVFHPQQSGS-UHFFFAOYSA-N 0 0 447.517 -0.186 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000754903408 1072909415 /nfs/dbraw/zinc/90/94/15/1072909415.db2.gz GAZJEONMGSLAJD-INIZCTEOSA-N 0 0 437.541 -0.052 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)CNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000754903416 1072909249 /nfs/dbraw/zinc/90/92/49/1072909249.db2.gz GAZJEONMGSLAJD-MRXNPFEDSA-N 0 0 437.541 -0.052 20 30 IBEDRN CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)C(=O)Nc2ccn(CCC#N)n2)CC1 ZINC000754945073 1072911024 /nfs/dbraw/zinc/91/10/24/1072911024.db2.gz JGJUROLRJUUCTK-UHFFFAOYSA-N 0 0 433.469 -0.069 20 30 IBEDRN C[C@H]1CN(S(=O)(=O)N2CCN(c3cccc(S(N)(=O)=O)c3C#N)CC2)C[C@H](C)O1 ZINC000754980006 1072911102 /nfs/dbraw/zinc/91/11/02/1072911102.db2.gz NMFLZXWXOSTLPY-KBPBESRZSA-N 0 0 443.551 -0.318 20 30 IBEDRN C[C@@H]1CN(S(=O)(=O)N2CCN(c3cccc(S(N)(=O)=O)c3C#N)CC2)C[C@H](C)O1 ZINC000754980013 1072911113 /nfs/dbraw/zinc/91/11/13/1072911113.db2.gz NMFLZXWXOSTLPY-OKILXGFUSA-N 0 0 443.551 -0.318 20 30 IBEDRN C[C@@H]1CN(S(=O)(=O)N2CCN(c3cccc(S(N)(=O)=O)c3C#N)CC2)C[C@@H](C)O1 ZINC000754980018 1072911150 /nfs/dbraw/zinc/91/11/50/1072911150.db2.gz NMFLZXWXOSTLPY-ZIAGYGMSSA-N 0 0 443.551 -0.318 20 30 IBEDRN C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2cccc3c2CCN3S(C)(=O)=O)CC1 ZINC000755228724 1072913602 /nfs/dbraw/zinc/91/36/02/1072913602.db2.gz WHIYHTYHHJWSAK-UHFFFAOYSA-N 0 0 432.502 -0.065 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000755241940 1072913705 /nfs/dbraw/zinc/91/37/05/1072913705.db2.gz BLPFWIQKCCOWFY-INIZCTEOSA-N 0 0 435.525 -0.604 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)CNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000755241941 1072913578 /nfs/dbraw/zinc/91/35/78/1072913578.db2.gz BLPFWIQKCCOWFY-MRXNPFEDSA-N 0 0 435.525 -0.604 20 30 IBEDRN C#CCNC(=O)CN1CCCN(C(=O)CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000755252671 1072913648 /nfs/dbraw/zinc/91/36/48/1072913648.db2.gz BICZVVFNHUGRHB-KRWDZBQOSA-N 0 0 449.552 -0.214 20 30 IBEDRN C#CCNC(=O)CN1CCCN(C(=O)CNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000755252673 1072913617 /nfs/dbraw/zinc/91/36/17/1072913617.db2.gz BICZVVFNHUGRHB-QGZVFWFLSA-N 0 0 449.552 -0.214 20 30 IBEDRN CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCN(CCO)CC2)c1 ZINC000755309104 1072914127 /nfs/dbraw/zinc/91/41/27/1072914127.db2.gz GQYYOLZNYWAWOV-FXBPSFAMSA-N 0 0 437.522 -0.426 20 30 IBEDRN CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCN(CCO)CC2)c1 ZINC000755309108 1072914168 /nfs/dbraw/zinc/91/41/68/1072914168.db2.gz GQYYOLZNYWAWOV-HEHNFIMWSA-N 0 0 437.522 -0.426 20 30 IBEDRN CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(CCO)CC2)cc1 ZINC000755309480 1072914154 /nfs/dbraw/zinc/91/41/54/1072914154.db2.gz JATDJWGKRNTIEA-FXBPSFAMSA-N 0 0 437.522 -0.426 20 30 IBEDRN CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(CCO)CC2)cc1 ZINC000755309481 1072914655 /nfs/dbraw/zinc/91/46/55/1072914655.db2.gz JATDJWGKRNTIEA-HEHNFIMWSA-N 0 0 437.522 -0.426 20 30 IBEDRN C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000755314495 1072914733 /nfs/dbraw/zinc/91/47/33/1072914733.db2.gz BOLMBZDSKKBEGW-INIZCTEOSA-N 0 0 429.477 -0.081 20 30 IBEDRN C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000755314498 1072914838 /nfs/dbraw/zinc/91/48/38/1072914838.db2.gz BOLMBZDSKKBEGW-MRXNPFEDSA-N 0 0 429.477 -0.081 20 30 IBEDRN C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000755315655 1072914813 /nfs/dbraw/zinc/91/48/13/1072914813.db2.gz LQOTZTAYLKTHPU-UHFFFAOYSA-N 0 0 432.452 -0.221 20 30 IBEDRN C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000755316503 1072915194 /nfs/dbraw/zinc/91/51/94/1072915194.db2.gz ORWKFDOIPXNQLQ-UHFFFAOYSA-N 0 0 432.452 -0.221 20 30 IBEDRN N#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000755318239 1072915203 /nfs/dbraw/zinc/91/52/03/1072915203.db2.gz VDBRAPLPYVNXQO-UHFFFAOYSA-N 0 0 433.440 -0.330 20 30 IBEDRN CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCN3CCOC[C@@H]3C2)c1 ZINC000755424215 1072916214 /nfs/dbraw/zinc/91/62/14/1072916214.db2.gz HLCYODBMWWWKFC-KDCJFMNISA-N 0 0 449.533 -0.019 20 30 IBEDRN CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCN3CCOC[C@@H]3C2)c1 ZINC000755424216 1072916099 /nfs/dbraw/zinc/91/60/99/1072916099.db2.gz HLCYODBMWWWKFC-NLFAIWHDSA-N 0 0 449.533 -0.019 20 30 IBEDRN CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCN3CCOC[C@H]3C2)c1 ZINC000755424217 1072916079 /nfs/dbraw/zinc/91/60/79/1072916079.db2.gz HLCYODBMWWWKFC-USCXLKSCSA-N 0 0 449.533 -0.019 20 30 IBEDRN CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCN3CCOC[C@H]3C2)c1 ZINC000755424218 1072916289 /nfs/dbraw/zinc/91/62/89/1072916289.db2.gz HLCYODBMWWWKFC-XEFZIOHMSA-N 0 0 449.533 -0.019 20 30 IBEDRN CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN3CCOC[C@@H]3C2)cc1 ZINC000755425222 1072916253 /nfs/dbraw/zinc/91/62/53/1072916253.db2.gz SMPKWXQXDHJNRD-KDCJFMNISA-N 0 0 449.533 -0.019 20 30 IBEDRN CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN3CCOC[C@@H]3C2)cc1 ZINC000755425225 1072916299 /nfs/dbraw/zinc/91/62/99/1072916299.db2.gz SMPKWXQXDHJNRD-NLFAIWHDSA-N 0 0 449.533 -0.019 20 30 IBEDRN CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN3CCOC[C@H]3C2)cc1 ZINC000755425226 1072916158 /nfs/dbraw/zinc/91/61/58/1072916158.db2.gz SMPKWXQXDHJNRD-USCXLKSCSA-N 0 0 449.533 -0.019 20 30 IBEDRN CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN3CCOC[C@H]3C2)cc1 ZINC000755425247 1072916224 /nfs/dbraw/zinc/91/62/24/1072916224.db2.gz SMPKWXQXDHJNRD-XEFZIOHMSA-N 0 0 449.533 -0.019 20 30 IBEDRN CN(C)C(=O)Cn1cc(NC(=O)C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cn1 ZINC000755538821 1072917571 /nfs/dbraw/zinc/91/75/71/1072917571.db2.gz UWZSWPIVTOENOJ-GXTWGEPZSA-N 0 0 433.469 -0.215 20 30 IBEDRN CN(C)C(=O)Cn1cc(NC(=O)C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cn1 ZINC000755538822 1072917515 /nfs/dbraw/zinc/91/75/15/1072917515.db2.gz UWZSWPIVTOENOJ-JSGCOSHPSA-N 0 0 433.469 -0.215 20 30 IBEDRN CN(C)C(=O)Cn1cc(NC(=O)C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cn1 ZINC000755538823 1072917555 /nfs/dbraw/zinc/91/75/55/1072917555.db2.gz UWZSWPIVTOENOJ-OCCSQVGLSA-N 0 0 433.469 -0.215 20 30 IBEDRN CN(C)C(=O)Cn1cc(NC(=O)C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cn1 ZINC000755538824 1072917646 /nfs/dbraw/zinc/91/76/46/1072917646.db2.gz UWZSWPIVTOENOJ-TZMCWYRMSA-N 0 0 433.469 -0.215 20 30 IBEDRN CN(C)C(=O)Cn1ccc(NC(=O)C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)n1 ZINC000755544944 1072917661 /nfs/dbraw/zinc/91/76/61/1072917661.db2.gz HOEPFXQNFFFUIP-CHWSQXEVSA-N 0 0 433.469 -0.215 20 30 IBEDRN CN(C)C(=O)Cn1ccc(NC(=O)C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)n1 ZINC000755544945 1072917490 /nfs/dbraw/zinc/91/74/90/1072917490.db2.gz HOEPFXQNFFFUIP-OLZOCXBDSA-N 0 0 433.469 -0.215 20 30 IBEDRN CN(C)C(=O)Cn1ccc(NC(=O)C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)n1 ZINC000755544946 1072917640 /nfs/dbraw/zinc/91/76/40/1072917640.db2.gz HOEPFXQNFFFUIP-QWHCGFSZSA-N 0 0 433.469 -0.215 20 30 IBEDRN CN(C)C(=O)Cn1ccc(NC(=O)C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)n1 ZINC000755544947 1072917655 /nfs/dbraw/zinc/91/76/55/1072917655.db2.gz HOEPFXQNFFFUIP-STQMWFEESA-N 0 0 433.469 -0.215 20 30 IBEDRN CNC(=O)Cn1nc(NC(=O)C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cc1C ZINC000755549568 1072917528 /nfs/dbraw/zinc/91/75/28/1072917528.db2.gz TWMRZCVIBBRORV-CHWSQXEVSA-N 0 0 433.469 -0.249 20 30 IBEDRN CNC(=O)Cn1nc(NC(=O)C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cc1C ZINC000755549581 1072917563 /nfs/dbraw/zinc/91/75/63/1072917563.db2.gz TWMRZCVIBBRORV-OLZOCXBDSA-N 0 0 433.469 -0.249 20 30 IBEDRN CNC(=O)Cn1nc(NC(=O)C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cc1C ZINC000755549585 1072918022 /nfs/dbraw/zinc/91/80/22/1072918022.db2.gz TWMRZCVIBBRORV-QWHCGFSZSA-N 0 0 433.469 -0.249 20 30 IBEDRN CNC(=O)Cn1nc(NC(=O)C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cc1C ZINC000755549589 1072918094 /nfs/dbraw/zinc/91/80/94/1072918094.db2.gz TWMRZCVIBBRORV-STQMWFEESA-N 0 0 433.469 -0.249 20 30 IBEDRN CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)C(=O)Nc2cnn(CC(=O)NC3CC3)c2)C1 ZINC000755552435 1072918072 /nfs/dbraw/zinc/91/80/72/1072918072.db2.gz NFPMFRIUNZIIRC-DOMZBBRYSA-N 0 0 445.480 -0.025 20 30 IBEDRN CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@H](NC(=O)C(=O)Nc2cnn(CC(=O)NC3CC3)c2)C1 ZINC000755552443 1072918026 /nfs/dbraw/zinc/91/80/26/1072918026.db2.gz NFPMFRIUNZIIRC-IUODEOHRSA-N 0 0 445.480 -0.025 20 30 IBEDRN CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)C(=O)Nc2cnn(CC(=O)NC3CC3)c2)C1 ZINC000755552446 1072918079 /nfs/dbraw/zinc/91/80/79/1072918079.db2.gz NFPMFRIUNZIIRC-SWLSCSKDSA-N 0 0 445.480 -0.025 20 30 IBEDRN CC(C)(C)OC(=O)N1C[C@H](NC(=O)C(=O)Nc2cnn(CC(=O)NC3CC3)c2)[C@@H](C#N)C1 ZINC000755552449 1072918064 /nfs/dbraw/zinc/91/80/64/1072918064.db2.gz NFPMFRIUNZIIRC-WFASDCNBSA-N 0 0 445.480 -0.025 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)NC2CCN(S(=O)(=O)C(F)(F)F)CC2)C1=O ZINC000755579957 1072918457 /nfs/dbraw/zinc/91/84/57/1072918457.db2.gz SBCPIPHGGIWUEJ-UHFFFAOYSA-N 0 0 426.373 -0.607 20 30 IBEDRN CCc1nn(C)c(CC)c1C=c1sc(=C(C#N)C(=O)NCCOC)n(CCOC)c1=O ZINC000755628768 1072918471 /nfs/dbraw/zinc/91/84/71/1072918471.db2.gz VBDQIZRGLIKFBS-UHFFFAOYSA-N 0 0 447.561 -0.320 20 30 IBEDRN C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC000755711337 1072919130 /nfs/dbraw/zinc/91/91/30/1072919130.db2.gz FNTGWJJPCJTGCE-HNNXBMFYSA-N 0 0 433.534 -0.120 20 30 IBEDRN C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC000755711338 1072918974 /nfs/dbraw/zinc/91/89/74/1072918974.db2.gz FNTGWJJPCJTGCE-OAHLLOKOSA-N 0 0 433.534 -0.120 20 30 IBEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN([C@@H](C)C(=O)N3CCCC3)CC2)c1=O ZINC000755934837 1072920696 /nfs/dbraw/zinc/92/06/96/1072920696.db2.gz BCRSTFYBUARUEA-KRWDZBQOSA-N 0 0 432.525 -0.870 20 30 IBEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN([C@H](C)C(=O)N3CCCC3)CC2)c1=O ZINC000755934863 1072920703 /nfs/dbraw/zinc/92/07/03/1072920703.db2.gz BCRSTFYBUARUEA-QGZVFWFLSA-N 0 0 432.525 -0.870 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)NC2CCN(S(=O)(=O)C(F)(F)F)CC2)CC1 ZINC000756144759 1072921709 /nfs/dbraw/zinc/92/17/09/1072921709.db2.gz ARYSMACKPPCYTO-UHFFFAOYSA-N 0 0 441.476 -0.070 20 30 IBEDRN CNS(=O)(=O)c1cc(C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)co1 ZINC000756390366 1072924345 /nfs/dbraw/zinc/92/43/45/1072924345.db2.gz PJDSTSYQWZCICX-UHFFFAOYSA-N 0 0 437.434 -0.139 20 30 IBEDRN Cn1cnc(S(=O)(=O)NCC(=O)OCC(=O)Nc2c(C#N)cnn2-c2ccccc2)c1 ZINC000756453294 1072925832 /nfs/dbraw/zinc/92/58/32/1072925832.db2.gz UNIKBKSQYZJHJK-UHFFFAOYSA-N 0 0 443.445 -0.062 20 30 IBEDRN COC(=O)c1cccc(CN2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)c1C#N ZINC000756570370 1072927341 /nfs/dbraw/zinc/92/73/41/1072927341.db2.gz CADHRADIYIDLNL-HNNXBMFYSA-N 0 0 441.531 -0.021 20 30 IBEDRN COC(=O)c1cccc(CN2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)c1C#N ZINC000756570376 1072927287 /nfs/dbraw/zinc/92/72/87/1072927287.db2.gz CADHRADIYIDLNL-OAHLLOKOSA-N 0 0 441.531 -0.021 20 30 IBEDRN Cn1cnc2c1c(=O)n(CC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)c(=O)n2C ZINC000756921903 1072931996 /nfs/dbraw/zinc/93/19/96/1072931996.db2.gz YMGFFPKCEYAGCV-NEPJUHHUSA-N 0 0 431.453 -0.691 20 30 IBEDRN Cn1cnc2c1c(=O)n(CC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)c(=O)n2C ZINC000756921905 1072931929 /nfs/dbraw/zinc/93/19/29/1072931929.db2.gz YMGFFPKCEYAGCV-NWDGAFQWSA-N 0 0 431.453 -0.691 20 30 IBEDRN Cn1cnc2c1c(=O)n(CC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)c(=O)n2C ZINC000756921908 1072932495 /nfs/dbraw/zinc/93/24/95/1072932495.db2.gz YMGFFPKCEYAGCV-RYUDHWBXSA-N 0 0 431.453 -0.691 20 30 IBEDRN Cn1cnc2c1c(=O)n(CC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)c(=O)n2C ZINC000756921910 1072932499 /nfs/dbraw/zinc/93/24/99/1072932499.db2.gz YMGFFPKCEYAGCV-VXGBXAGGSA-N 0 0 431.453 -0.691 20 30 IBEDRN C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000757061187 1072933665 /nfs/dbraw/zinc/93/36/65/1072933665.db2.gz ULZGGHDCZIOJKN-KBPBESRZSA-N 0 0 445.505 -0.449 20 30 IBEDRN C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000757061188 1072933671 /nfs/dbraw/zinc/93/36/71/1072933671.db2.gz ULZGGHDCZIOJKN-KGLIPLIRSA-N 0 0 445.505 -0.449 20 30 IBEDRN C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000757061189 1072933589 /nfs/dbraw/zinc/93/35/89/1072933589.db2.gz ULZGGHDCZIOJKN-UONOGXRCSA-N 0 0 445.505 -0.449 20 30 IBEDRN C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000757061190 1072933491 /nfs/dbraw/zinc/93/34/91/1072933491.db2.gz ULZGGHDCZIOJKN-ZIAGYGMSSA-N 0 0 445.505 -0.449 20 30 IBEDRN CS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 ZINC000757144599 1072934246 /nfs/dbraw/zinc/93/42/46/1072934246.db2.gz URSOUQWYYSQILO-GXTWGEPZSA-N 0 0 428.536 -0.051 20 30 IBEDRN CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 ZINC000757144603 1072934131 /nfs/dbraw/zinc/93/41/31/1072934131.db2.gz URSOUQWYYSQILO-TZMCWYRMSA-N 0 0 428.536 -0.051 20 30 IBEDRN C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)cc1 ZINC000757290338 1072934864 /nfs/dbraw/zinc/93/48/64/1072934864.db2.gz DQKVXFBWQJIPPN-HNNXBMFYSA-N 0 0 448.487 -0.040 20 30 IBEDRN C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)cc1 ZINC000757290341 1072934723 /nfs/dbraw/zinc/93/47/23/1072934723.db2.gz DQKVXFBWQJIPPN-OAHLLOKOSA-N 0 0 448.487 -0.040 20 30 IBEDRN C#CCNC(=O)CN1CCCN(C(=O)[C@H](CC(N)=O)NC(=O)OCc2ccccc2)CC1 ZINC000757443207 1072935845 /nfs/dbraw/zinc/93/58/45/1072935845.db2.gz DSEXFLSCISQOQX-SFHVURJKSA-N 0 0 443.504 -0.560 20 30 IBEDRN C[C@@H]1C[C@H](C)C[C@@]2(C1)NC(=O)N(CC(=O)[C@H](C#N)C(=O)N1CCS(=O)(=O)CC1)C2=O ZINC000757444549 1072935736 /nfs/dbraw/zinc/93/57/36/1072935736.db2.gz WZXQULDLNFDOFX-LJPSSGMGSA-N 0 0 438.506 -0.301 20 30 IBEDRN C[C@@H]1C[C@@H](C)CC2(C1)NC(=O)N(CC(=O)[C@H](C#N)C(=O)N1CCS(=O)(=O)CC1)C2=O ZINC000757444559 1072936288 /nfs/dbraw/zinc/93/62/88/1072936288.db2.gz WZXQULDLNFDOFX-MCIONIFRSA-N 0 0 438.506 -0.301 20 30 IBEDRN C[C@@H]1C[C@@H](C)CC2(C1)NC(=O)N(CC(=O)[C@@H](C#N)C(=O)N1CCS(=O)(=O)CC1)C2=O ZINC000757444560 1072936240 /nfs/dbraw/zinc/93/62/40/1072936240.db2.gz WZXQULDLNFDOFX-MGPQQGTHSA-N 0 0 438.506 -0.301 20 30 IBEDRN C[C@@H]1C[C@H](C)C[C@@]2(C1)NC(=O)N(CC(=O)[C@@H](C#N)C(=O)N1CCS(=O)(=O)CC1)C2=O ZINC000757444562 1072936316 /nfs/dbraw/zinc/93/63/16/1072936316.db2.gz WZXQULDLNFDOFX-ZYKCCNLVSA-N 0 0 438.506 -0.301 20 30 IBEDRN Cn1c2ncn(CCC(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)c2c(=O)n(C)c1=O ZINC000757582767 1072936208 /nfs/dbraw/zinc/93/62/08/1072936208.db2.gz PLYBLVAJWLNMKY-CHWSQXEVSA-N 0 0 445.480 -0.301 20 30 IBEDRN Cn1c2ncn(CCC(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)c2c(=O)n(C)c1=O ZINC000757582770 1072936232 /nfs/dbraw/zinc/93/62/32/1072936232.db2.gz PLYBLVAJWLNMKY-OLZOCXBDSA-N 0 0 445.480 -0.301 20 30 IBEDRN Cn1c2ncn(CCC(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)c2c(=O)n(C)c1=O ZINC000757582771 1072936396 /nfs/dbraw/zinc/93/63/96/1072936396.db2.gz PLYBLVAJWLNMKY-QWHCGFSZSA-N 0 0 445.480 -0.301 20 30 IBEDRN Cn1c2ncn(CCC(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)c2c(=O)n(C)c1=O ZINC000757582772 1072936403 /nfs/dbraw/zinc/93/64/03/1072936403.db2.gz PLYBLVAJWLNMKY-STQMWFEESA-N 0 0 445.480 -0.301 20 30 IBEDRN C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N ZINC000757590367 1072936303 /nfs/dbraw/zinc/93/63/03/1072936303.db2.gz VBNREXAJWUQSMT-OBJOEFQTSA-N 0 0 426.499 -0.038 20 30 IBEDRN C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N ZINC000757590383 1072936256 /nfs/dbraw/zinc/93/62/56/1072936256.db2.gz VBNREXAJWUQSMT-OUCADQQQSA-N 0 0 426.499 -0.038 20 30 IBEDRN C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N ZINC000757590388 1072936386 /nfs/dbraw/zinc/93/63/86/1072936386.db2.gz VBNREXAJWUQSMT-SCRDCRAPSA-N 0 0 426.499 -0.038 20 30 IBEDRN C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N ZINC000757590392 1072936279 /nfs/dbraw/zinc/93/62/79/1072936279.db2.gz VBNREXAJWUQSMT-SGMGOOAPSA-N 0 0 426.499 -0.038 20 30 IBEDRN Cc1nc(S(=O)(=O)NCC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cn1C ZINC000757591318 1072936197 /nfs/dbraw/zinc/93/61/97/1072936197.db2.gz TYLPGQKWGDVCBZ-CHWSQXEVSA-N 0 0 426.499 -0.118 20 30 IBEDRN Cc1nc(S(=O)(=O)NCC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cn1C ZINC000757591323 1072936328 /nfs/dbraw/zinc/93/63/28/1072936328.db2.gz TYLPGQKWGDVCBZ-OLZOCXBDSA-N 0 0 426.499 -0.118 20 30 IBEDRN Cc1nc(S(=O)(=O)NCC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cn1C ZINC000757591331 1072936376 /nfs/dbraw/zinc/93/63/76/1072936376.db2.gz TYLPGQKWGDVCBZ-QWHCGFSZSA-N 0 0 426.499 -0.118 20 30 IBEDRN Cc1nc(S(=O)(=O)NCC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cn1C ZINC000757591337 1072936350 /nfs/dbraw/zinc/93/63/50/1072936350.db2.gz TYLPGQKWGDVCBZ-STQMWFEESA-N 0 0 426.499 -0.118 20 30 IBEDRN CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)C1 ZINC000757591597 1072937012 /nfs/dbraw/zinc/93/70/12/1072937012.db2.gz USGYKOVCWXDEHT-BYNSBNAKSA-N 0 0 440.522 -0.103 20 30 IBEDRN CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)C1 ZINC000757591598 1072936995 /nfs/dbraw/zinc/93/69/95/1072936995.db2.gz USGYKOVCWXDEHT-CBBWQLFWSA-N 0 0 440.522 -0.103 20 30 IBEDRN CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)C1 ZINC000757591600 1072936927 /nfs/dbraw/zinc/93/69/27/1072936927.db2.gz USGYKOVCWXDEHT-LXTVHRRPSA-N 0 0 440.522 -0.103 20 30 IBEDRN CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)C1 ZINC000757591602 1072936840 /nfs/dbraw/zinc/93/68/40/1072936840.db2.gz USGYKOVCWXDEHT-ZQDZILKHSA-N 0 0 440.522 -0.103 20 30 IBEDRN Cn1c2ncn(CC(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)c2c(=O)n(C)c1=O ZINC000757592125 1072936177 /nfs/dbraw/zinc/93/61/77/1072936177.db2.gz SUXQVPQWHJQRCM-NEPJUHHUSA-N 0 0 431.453 -0.691 20 30 IBEDRN Cn1c2ncn(CC(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)c2c(=O)n(C)c1=O ZINC000757592128 1072936411 /nfs/dbraw/zinc/93/64/11/1072936411.db2.gz SUXQVPQWHJQRCM-NWDGAFQWSA-N 0 0 431.453 -0.691 20 30 IBEDRN Cn1c2ncn(CC(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)c2c(=O)n(C)c1=O ZINC000757592132 1072936337 /nfs/dbraw/zinc/93/63/37/1072936337.db2.gz SUXQVPQWHJQRCM-RYUDHWBXSA-N 0 0 431.453 -0.691 20 30 IBEDRN Cn1c2ncn(CC(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)c2c(=O)n(C)c1=O ZINC000757592136 1072936937 /nfs/dbraw/zinc/93/69/37/1072936937.db2.gz SUXQVPQWHJQRCM-VXGBXAGGSA-N 0 0 431.453 -0.691 20 30 IBEDRN Cn1c(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cccc1=O ZINC000757748335 1072937336 /nfs/dbraw/zinc/93/73/36/1072937336.db2.gz LNIBNJJIMOLLRK-UHFFFAOYSA-N 0 0 444.469 -0.053 20 30 IBEDRN CC(C)(C)OC(=O)N1CCN(S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)[C@H](C#N)C1 ZINC000757900168 1072938714 /nfs/dbraw/zinc/93/87/14/1072938714.db2.gz YBVOLYHTROKUJR-CYBMUJFWSA-N 0 0 437.544 -0.747 20 30 IBEDRN CC(C)(C)OC(=O)N1CCN(S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)[C@@H](C#N)C1 ZINC000757900184 1072938695 /nfs/dbraw/zinc/93/86/95/1072938695.db2.gz YBVOLYHTROKUJR-ZDUSSCGKSA-N 0 0 437.544 -0.747 20 30 IBEDRN C#CCN(C(=O)CCNS(=O)(=O)c1ccc(NC(C)=O)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000757904454 1072938586 /nfs/dbraw/zinc/93/85/86/1072938586.db2.gz LZEBOLQLULEVJQ-INIZCTEOSA-N 0 0 441.531 -0.038 20 30 IBEDRN C#CCN(C(=O)CCNS(=O)(=O)c1ccc(NC(C)=O)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000757904455 1072938533 /nfs/dbraw/zinc/93/85/33/1072938533.db2.gz LZEBOLQLULEVJQ-MRXNPFEDSA-N 0 0 441.531 -0.038 20 30 IBEDRN C#CCN(C(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2)[C@H]1CCS(=O)(=O)C1 ZINC000757904523 1072938629 /nfs/dbraw/zinc/93/86/29/1072938629.db2.gz NTGGGOCWMZQQAQ-AWEZNQCLSA-N 0 0 442.515 -0.225 20 30 IBEDRN C#CCN(C(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2)[C@@H]1CCS(=O)(=O)C1 ZINC000757904529 1072938673 /nfs/dbraw/zinc/93/86/73/1072938673.db2.gz NTGGGOCWMZQQAQ-CQSZACIVSA-N 0 0 442.515 -0.225 20 30 IBEDRN C#CCN(C(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000757907120 1072938991 /nfs/dbraw/zinc/93/89/91/1072938991.db2.gz ZVOHGOCXVXJJPX-HNNXBMFYSA-N 0 0 441.531 -0.684 20 30 IBEDRN C#CCN(C(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000757907125 1072939138 /nfs/dbraw/zinc/93/91/38/1072939138.db2.gz ZVOHGOCXVXJJPX-OAHLLOKOSA-N 0 0 441.531 -0.684 20 30 IBEDRN C#CCn1c(=O)c(=Cc2cnn(CCOC)c2)sc1=C(C#N)C(=O)NCc1ccco1 ZINC000758040918 1072939050 /nfs/dbraw/zinc/93/90/50/1072939050.db2.gz NIQBWBXWCUWWCP-UHFFFAOYSA-N 0 0 437.481 -0.202 20 30 IBEDRN C#CCn1c(=O)c(=Cc2cccc3c2OCO3)sc1=C(C#N)C(=O)NCCCOC ZINC000758041454 1072939072 /nfs/dbraw/zinc/93/90/72/1072939072.db2.gz VBMSWJGQJCZQPS-UHFFFAOYSA-N 0 0 425.466 -0.073 20 30 IBEDRN C#CCn1c(=O)c(=Cc2ccccc2C)sc1=C(C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000758048936 1072939086 /nfs/dbraw/zinc/93/90/86/1072939086.db2.gz BMUVGRMFUGDGKZ-UHFFFAOYSA-N 0 0 441.534 -0.389 20 30 IBEDRN C#CCn1c(=O)c(=Cc2ccc3c(c2)OCCO3)sc1=C(C#N)C(=O)NCCCOC ZINC000758049019 1072939000 /nfs/dbraw/zinc/93/90/00/1072939000.db2.gz CLUFECLAIJEYOP-UHFFFAOYSA-N 0 0 439.493 -0.030 20 30 IBEDRN C#CCn1c(=O)c(=Cc2c(CC)nn(C)c2CC)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000758049364 1072939145 /nfs/dbraw/zinc/93/91/45/1072939145.db2.gz BIENWDBIFICNAJ-UHFFFAOYSA-N 0 0 439.541 -0.237 20 30 IBEDRN C#CCn1c(=O)c(=Cc2cccc(OC)c2OC)sc1=C(C#N)C(=O)NCCOC ZINC000758049488 1072939043 /nfs/dbraw/zinc/93/90/43/1072939043.db2.gz FMAXBACGROILDW-UHFFFAOYSA-N 0 0 427.482 -0.174 20 30 IBEDRN C#CCn1c(=O)c(=Cc2c[nH]c(C(=O)OC)c2)sc1=C(C#N)C(=O)N1CCSCC1 ZINC000758049829 1072939125 /nfs/dbraw/zinc/93/91/25/1072939125.db2.gz KQDWMARSYYCCIJ-UHFFFAOYSA-N 0 0 442.522 -0.264 20 30 IBEDRN C#CCn1c(=O)c(=Cc2c[nH]c(C(=O)OC)c2)sc1=C(C#N)C(=O)NCCCOC ZINC000758049860 1072939012 /nfs/dbraw/zinc/93/90/12/1072939012.db2.gz LHJVKXYBSFQTAJ-UHFFFAOYSA-N 0 0 428.470 -0.687 20 30 IBEDRN C#CCn1c(=O)c(=Cc2ccc(C(=O)OC)cc2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000758050161 1072939532 /nfs/dbraw/zinc/93/95/32/1072939532.db2.gz DCYLCSSZIHYOPS-UHFFFAOYSA-N 0 0 437.477 -0.309 20 30 IBEDRN C#CCn1c(=O)c(=Cc2ccc(OC)cc2OC)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000758050238 1072939107 /nfs/dbraw/zinc/93/91/07/1072939107.db2.gz DYDRUUUDSJYPTO-UHFFFAOYSA-N 0 0 439.493 -0.078 20 30 IBEDRN C#CCn1c(=O)c(=Cc2ccc(S(C)(=O)=O)cc2)sc1=C(C#N)C(=O)NC(C)C ZINC000758050335 1072939061 /nfs/dbraw/zinc/93/90/61/1072939061.db2.gz QLNJQNQPJBIJFE-UHFFFAOYSA-N 0 0 429.523 -0.026 20 30 IBEDRN C#CCn1c(=O)c(=Cc2ccc(COC)o2)sc1=C(C#N)C(=O)N1CCN(CC)CC1 ZINC000758050611 1072939582 /nfs/dbraw/zinc/93/95/82/1072939582.db2.gz GUXZIBLIGBFICK-UHFFFAOYSA-N 0 0 440.525 -0.050 20 30 IBEDRN C#CCn1c(=O)c(=Cc2cccc(C)c2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000758050692 1072939626 /nfs/dbraw/zinc/93/96/26/1072939626.db2.gz SKZLMQUWHXEHOJ-UHFFFAOYSA-N 0 0 436.537 -0.197 20 30 IBEDRN C#CCn1c(=O)c(=Cc2ccc(N3CCCC3)nc2)sc1=C(C#N)C(=O)NCCOC ZINC000758050843 1072939647 /nfs/dbraw/zinc/93/96/47/1072939647.db2.gz IXGKUWDTLDGTCV-UHFFFAOYSA-N 0 0 437.525 -0.196 20 30 IBEDRN C#CCn1c(=O)c(=Cc2cccc3c2OCCO3)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000758050895 1072939541 /nfs/dbraw/zinc/93/95/41/1072939541.db2.gz UKPIKQARLWUKCG-UHFFFAOYSA-N 0 0 437.477 -0.324 20 30 IBEDRN C#CCn1c(=O)c(=Cc2ccc(Br)cn2)sc1=C(C#N)C(=O)NCCOC ZINC000758051482 1072939614 /nfs/dbraw/zinc/93/96/14/1072939614.db2.gz WOPPBEBXZCJSGS-UHFFFAOYSA-N 0 0 447.314 -0.034 20 30 IBEDRN C#CCn1c(=O)c(=Cc2cccc(OC)c2OC)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000758051733 1072939516 /nfs/dbraw/zinc/93/95/16/1072939516.db2.gz XGWOZWOOTZAITB-UHFFFAOYSA-N 0 0 439.493 -0.078 20 30 IBEDRN C#CCn1c(=O)c(=Cc2cccc(OCC)n2)sc1=C(C#N)C(=O)NCCCOC ZINC000758052810 1072939570 /nfs/dbraw/zinc/93/95/70/1072939570.db2.gz GEZZYWOVWRHXFN-UHFFFAOYSA-N 0 0 426.498 -0.008 20 30 IBEDRN C#CCn1c(=O)c(=Cc2cnn(-c3ccccc3)n2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000758053269 1072939577 /nfs/dbraw/zinc/93/95/77/1072939577.db2.gz HCZLIAXPFIHVEN-UHFFFAOYSA-N 0 0 446.492 -0.514 20 30 IBEDRN C#CCn1c(=O)c(=Cc2cnc(C)s2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000758053786 1072939657 /nfs/dbraw/zinc/93/96/57/1072939657.db2.gz VXHGKCWLLCQJEP-UHFFFAOYSA-N 0 0 443.554 -0.741 20 30 IBEDRN C#CCn1c(=O)c(=Cc2ccc(OC)c(OC)c2)sc1=C(C#N)C(=O)NCCOC ZINC000758053908 1072939547 /nfs/dbraw/zinc/93/95/47/1072939547.db2.gz WOGTZOKXJUIRGL-UHFFFAOYSA-N 0 0 427.482 -0.174 20 30 IBEDRN C#CCn1c(=O)c(=Cc2ccc(NC(C)=O)cc2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000758054499 1072939639 /nfs/dbraw/zinc/93/96/39/1072939639.db2.gz YZRADKJHEXZOHF-UHFFFAOYSA-N 0 0 436.493 -0.137 20 30 IBEDRN C#CCn1c(=O)c(=Cc2ccc(C)cc2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000758054573 1072939610 /nfs/dbraw/zinc/93/96/10/1072939610.db2.gz ZURPWKAJVCAAPB-UHFFFAOYSA-N 0 0 436.537 -0.197 20 30 IBEDRN C#CCn1c(=O)c(=Cc2cccc(OCC)n2)sc1=C(C#N)C(=O)N[C@@H](C)COC ZINC000758054638 1072939601 /nfs/dbraw/zinc/93/96/01/1072939601.db2.gz MEVJISYAWSNFRK-AWEZNQCLSA-N 0 0 426.498 -0.009 20 30 IBEDRN C#CCn1c(=O)c(=Cc2cccc(OCC)n2)sc1=C(C#N)C(=O)N[C@H](C)COC ZINC000758054643 1072939619 /nfs/dbraw/zinc/93/96/19/1072939619.db2.gz MEVJISYAWSNFRK-CQSZACIVSA-N 0 0 426.498 -0.009 20 30 IBEDRN C#CCn1c(=O)c(=Cc2cnn(CCOC)c2)sc1=C(C#N)C(=O)N[C@@H](C)COC ZINC000758055340 1072939632 /nfs/dbraw/zinc/93/96/32/1072939632.db2.gz OAPPPALPRNLIEA-AWEZNQCLSA-N 0 0 429.502 -0.960 20 30 IBEDRN C#CCn1c(=O)c(=Cc2cnn(CCOC)c2)sc1=C(C#N)C(=O)N[C@H](C)COC ZINC000758055355 1072939478 /nfs/dbraw/zinc/93/94/78/1072939478.db2.gz OAPPPALPRNLIEA-CQSZACIVSA-N 0 0 429.502 -0.960 20 30 IBEDRN C#CCn1c(=O)c(=Cc2cnn(-c3ccccc3)n2)sc1=C(C#N)C(=O)NCCCOC ZINC000758055478 1072939559 /nfs/dbraw/zinc/93/95/59/1072939559.db2.gz PRUUZENZRHBJNN-UHFFFAOYSA-N 0 0 448.508 -0.221 20 30 IBEDRN C#CCn1c(=O)c(=Cc2ccccc2F)sc1=C(C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000758056473 1072939595 /nfs/dbraw/zinc/93/95/95/1072939595.db2.gz XZDKHAKREJMDBK-UHFFFAOYSA-N 0 0 445.497 -0.558 20 30 IBEDRN C#CCn1c(=O)c(=Cc2ccc(C(=O)OC)cc2)sc1=C(C#N)C(=O)N[C@@H](C)COC ZINC000758057395 1072940055 /nfs/dbraw/zinc/94/00/55/1072940055.db2.gz FYCOJIWLEYQZSI-AWEZNQCLSA-N 0 0 439.493 -0.016 20 30 IBEDRN C#CCn1c(=O)c(=Cc2ccc(C(=O)OC)cc2)sc1=C(C#N)C(=O)N[C@H](C)COC ZINC000758057419 1072940066 /nfs/dbraw/zinc/94/00/66/1072940066.db2.gz FYCOJIWLEYQZSI-CQSZACIVSA-N 0 0 439.493 -0.016 20 30 IBEDRN C#CCn1c(=O)c(=Cc2cccc(F)c2)sc1=C(C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000758057887 1072940074 /nfs/dbraw/zinc/94/00/74/1072940074.db2.gz BESBWXIPZWRHSV-UHFFFAOYSA-N 0 0 445.497 -0.558 20 30 IBEDRN C#CCn1c(=O)c(=Cc2ccc(N3CCCC3)nc2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000758058457 1072940197 /nfs/dbraw/zinc/94/01/97/1072940197.db2.gz LKROAVFYKGNVFH-UHFFFAOYSA-N 0 0 449.536 -0.100 20 30 IBEDRN C#CCn1c(=O)c(=Cc2sccc2C)sc1=C(C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000758059753 1072940164 /nfs/dbraw/zinc/94/01/64/1072940164.db2.gz OICMDOGZAJCBHI-UHFFFAOYSA-N 0 0 447.563 -0.327 20 30 IBEDRN C#CCn1c(=O)c(=Cc2ccc(S(C)(=O)=O)cc2)sc1=C(C#N)C(=O)NCCOC ZINC000758060453 1072939997 /nfs/dbraw/zinc/93/99/97/1072939997.db2.gz BFXOBEJTVCDRQN-UHFFFAOYSA-N 0 0 445.522 -0.788 20 30 IBEDRN C#CCn1c(=O)c(=Cc2cc3c(c(OC)c2)OCO3)sc1=C(C#N)C(=O)NCCOC ZINC000758060715 1072940207 /nfs/dbraw/zinc/94/02/07/1072940207.db2.gz KAMPLYQETUGTKV-UHFFFAOYSA-N 0 0 441.465 -0.454 20 30 IBEDRN C#CCn1c(=O)c(=Cc2cccc3c2OCCO3)sc1=C(C#N)C(=O)NCCOC ZINC000758060938 1072940083 /nfs/dbraw/zinc/94/00/83/1072940083.db2.gz PWCUKHDYEOBPTC-UHFFFAOYSA-N 0 0 425.466 -0.420 20 30 IBEDRN C#CCn1c(=O)c(=Cc2cccc3c2OCCCO3)sc1=C(C#N)C(=O)NCCOC ZINC000758061102 1072940024 /nfs/dbraw/zinc/94/00/24/1072940024.db2.gz TYMXAYNTPDFDDH-UHFFFAOYSA-N 0 0 439.493 -0.030 20 30 IBEDRN C#CCn1c(=O)c(=Cc2c(C)nn(C)c2C)sc1=C(C#N)C(=O)N1CCN(CC)CC1 ZINC000758061884 1072940033 /nfs/dbraw/zinc/94/00/33/1072940033.db2.gz LASRPBNKTULIPL-UHFFFAOYSA-N 0 0 438.557 -0.439 20 30 IBEDRN C#CCn1c(=O)c(=Cc2occc2C)sc1=C(C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000758062383 1072940014 /nfs/dbraw/zinc/94/00/14/1072940014.db2.gz RPASPZUIVXGFBF-UHFFFAOYSA-N 0 0 431.495 -0.796 20 30 IBEDRN C#CCn1c(=O)c(=Cc2cnc(C)s2)sc1=C(C#N)C(=O)N1CCN(CC)CC1 ZINC000758062433 1072940104 /nfs/dbraw/zinc/94/01/04/1072940104.db2.gz SJIBQUGRPXJIAI-UHFFFAOYSA-N 0 0 427.555 -0.025 20 30 IBEDRN C#CCn1c(=O)c(=Cc2ccc(C)o2)sc1=C(C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000758062670 1072940158 /nfs/dbraw/zinc/94/01/58/1072940158.db2.gz VHBVWZOZJLYQMN-UHFFFAOYSA-N 0 0 431.495 -0.796 20 30 IBEDRN C#CCn1c(=O)c(=Cc2cccc(OCCOC)c2)sc1=C(C#N)C(=O)NCCOC ZINC000758066207 1072940118 /nfs/dbraw/zinc/94/01/18/1072940118.db2.gz BDWBZJAQVVRLFE-UHFFFAOYSA-N 0 0 441.509 -0.166 20 30 IBEDRN C#CCn1c(=O)c(=Cc2ccsc2)sc1=C(C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000758066378 1072940135 /nfs/dbraw/zinc/94/01/35/1072940135.db2.gz HRHASHRNHAXSEM-UHFFFAOYSA-N 0 0 433.536 -0.635 20 30 IBEDRN C#CCn1c(=O)c(=Cc2ccccc2C)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000758066565 1072940218 /nfs/dbraw/zinc/94/02/18/1072940218.db2.gz CJOXNEIGTGPWIM-UHFFFAOYSA-N 0 0 436.537 -0.197 20 30 IBEDRN C#CCn1c(=O)c(=Cc2cnn(CCOC)c2)sc1=C(C#N)C(=O)NC1CCCC1 ZINC000758066626 1072940182 /nfs/dbraw/zinc/94/01/82/1072940182.db2.gz DBDGVTUTIKSNIG-UHFFFAOYSA-N 0 0 425.514 -0.052 20 30 IBEDRN C#CCn1c(=O)c(=Cc2cnn(CCOC)c2)sc1=C(C#N)C(=O)Nc1ccccn1 ZINC000758066781 1072940147 /nfs/dbraw/zinc/94/01/47/1072940147.db2.gz CJUPICGOJIZNOO-UHFFFAOYSA-N 0 0 434.481 -0.077 20 30 IBEDRN C#CCn1c(=O)c(=Cc2ccc(CC)o2)sc1=C(C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000758066841 1072940044 /nfs/dbraw/zinc/94/00/44/1072940044.db2.gz KSNPJTBMZJJINM-UHFFFAOYSA-N 0 0 445.522 -0.542 20 30 IBEDRN C#CCn1c(=O)c(=Cc2cc(C(=O)OC)c(C)o2)sc1=C(C#N)C(=O)NCCCOC ZINC000758067226 1072940620 /nfs/dbraw/zinc/94/06/20/1072940620.db2.gz FTYAQECSYAHRIO-UHFFFAOYSA-N 0 0 443.481 -0.113 20 30 IBEDRN C#CCn1c(=O)c(=Cc2c(C)nn(C)c2C)sc1=C(C#N)C(=O)N1CCSCC1 ZINC000758067318 1072940595 /nfs/dbraw/zinc/94/05/95/1072940595.db2.gz NWCWRKLFIFIYBQ-UHFFFAOYSA-N 0 0 427.555 -0.028 20 30 IBEDRN Cc1cc([N+](=O)[O-])ccc1C=c1sc(=C(C#N)C#N)n(CCNS(C)(=O)=O)c1=O ZINC000758067673 1072940590 /nfs/dbraw/zinc/94/05/90/1072940590.db2.gz CSDJZGFQSDLJTF-UHFFFAOYSA-N 0 0 433.471 -0.298 20 30 IBEDRN C#CCn1c(=O)c(=Cc2cc(C)n(CCOC)c2C)sc1=C(C#N)C(=O)NCCOC ZINC000758067860 1072940090 /nfs/dbraw/zinc/94/00/90/1072940090.db2.gz ISFFKTPAKZBMGN-UHFFFAOYSA-N 0 0 442.541 -0.127 20 30 IBEDRN C#CCn1c(=O)c(=Cc2ccc(OC)c(C#N)c2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000758067879 1072940547 /nfs/dbraw/zinc/94/05/47/1072940547.db2.gz IWJHKXUJARHNSZ-UHFFFAOYSA-N 0 0 434.477 -0.215 20 30 IBEDRN C#CCn1c(=O)c(=Cc2csc(C)n2)sc1=C(C#N)C(=O)N1CCN(CC)CC1 ZINC000758067976 1072940535 /nfs/dbraw/zinc/94/05/35/1072940535.db2.gz PAPDGAHZTVDVRA-UHFFFAOYSA-N 0 0 427.555 -0.025 20 30 IBEDRN C#CCn1c(=O)c(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)sc1=C(C#N)C(=O)NC ZINC000758067987 1072940631 /nfs/dbraw/zinc/94/06/31/1072940631.db2.gz JBZANIUYHTVABY-UHFFFAOYSA-N 0 0 426.410 -0.529 20 30 IBEDRN C#CCn1c(=O)c(=Cc2ccc(F)cc2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000758068059 1072940625 /nfs/dbraw/zinc/94/06/25/1072940625.db2.gz KGOMVFFPUACPCD-UHFFFAOYSA-N 0 0 440.500 -0.366 20 30 IBEDRN C#CCn1c(=O)c(=Cc2c[nH]c(C(=O)OC)c2)sc1=C(C#N)C(=O)NCCCOCC ZINC000758068265 1072940580 /nfs/dbraw/zinc/94/05/80/1072940580.db2.gz NMQANSIBUHXXED-UHFFFAOYSA-N 0 0 442.497 -0.296 20 30 IBEDRN C#CCn1c(=O)c(=Cc2ccc(OC)c(OC)c2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000758068570 1072940616 /nfs/dbraw/zinc/94/06/16/1072940616.db2.gz MLIAPSOOVYBIJG-UHFFFAOYSA-N 0 0 439.493 -0.078 20 30 IBEDRN C#CCn1c(=O)c(=Cc2cnn(-c3ccccc3)c2)sc1=C(C#N)C(=O)NCCOC ZINC000758068629 1072940552 /nfs/dbraw/zinc/94/05/52/1072940552.db2.gz NBPSCUJHRAIJCV-UHFFFAOYSA-N 0 0 433.493 -0.006 20 30 IBEDRN C#CCn1c(=O)c(=Cc2ccc(C)o2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000758068896 1072940565 /nfs/dbraw/zinc/94/05/65/1072940565.db2.gz PADHHUZSOHEYQX-UHFFFAOYSA-N 0 0 426.498 -0.604 20 30 IBEDRN C#CCn1c(=O)c(=Cc2ccc(OC)c([N+](=O)[O-])c2)sc1=C(C#N)C(=O)NCCOC ZINC000758068940 1072940635 /nfs/dbraw/zinc/94/06/35/1072940635.db2.gz PDRRDGNPZZZNDN-UHFFFAOYSA-N 0 0 442.453 -0.275 20 30 IBEDRN C#CCn1c(=O)c(=Cc2ccc(S(C)(=O)=O)cc2)sc1=C(C#N)C(=O)NCCC ZINC000758069011 1072940540 /nfs/dbraw/zinc/94/05/40/1072940540.db2.gz QJJWBRXJPNMYJL-UHFFFAOYSA-N 0 0 429.523 -0.024 20 30 IBEDRN C#CCn1c(=O)c(=Cc2c(CC)nn(C)c2CC)sc1=C(C#N)C(=O)NCCOC ZINC000758069064 1072940602 /nfs/dbraw/zinc/94/06/02/1072940602.db2.gz RDZHGJMAIDMILY-UHFFFAOYSA-N 0 0 427.530 -0.333 20 30 IBEDRN C#CCn1c(=O)c(=Cc2cccc(F)c2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000758069445 1072940609 /nfs/dbraw/zinc/94/06/09/1072940609.db2.gz PNUVMNVJYKXJIV-UHFFFAOYSA-N 0 0 440.500 -0.366 20 30 IBEDRN C#CCn1c(=O)c(=Cc2ccc(O[C@H](C)C(=O)OC)cc2)sc1=C(C#N)C(=O)NC ZINC000758069650 1072940570 /nfs/dbraw/zinc/94/05/70/1072940570.db2.gz RAEKUTALIXCSOB-CYBMUJFWSA-N 0 0 425.466 -0.268 20 30 IBEDRN C#CCn1c(=O)c(=Cc2ccc(O[C@@H](C)C(=O)OC)cc2)sc1=C(C#N)C(=O)NC ZINC000758069659 1072940559 /nfs/dbraw/zinc/94/05/59/1072940559.db2.gz RAEKUTALIXCSOB-ZDUSSCGKSA-N 0 0 425.466 -0.268 20 30 IBEDRN C#CCn1c(=O)c(=Cc2ccccc2F)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000758070069 1072940993 /nfs/dbraw/zinc/94/09/93/1072940993.db2.gz ZGGFIMIJPHIXOL-UHFFFAOYSA-N 0 0 440.500 -0.366 20 30 IBEDRN C#CCn1c(=O)c(=Cc2cccs2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000758070075 1072941028 /nfs/dbraw/zinc/94/10/28/1072941028.db2.gz ZHYSUHMCLSPPCO-UHFFFAOYSA-N 0 0 428.539 -0.444 20 30 IBEDRN C#CCn1c(=O)c(=Cc2csc([N+](=O)[O-])c2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000758070206 1072941059 /nfs/dbraw/zinc/94/10/59/1072941059.db2.gz SODOCCDDJXTMLC-UHFFFAOYSA-N 0 0 430.467 -0.125 20 30 IBEDRN C#CCn1c(=O)c(=Cc2ccccc2OCCOC)sc1=C(C#N)C(=O)NCCOC ZINC000758070419 1072941083 /nfs/dbraw/zinc/94/10/83/1072941083.db2.gz UCHYCEFLJCDXBR-UHFFFAOYSA-N 0 0 441.509 -0.166 20 30 IBEDRN C#CCn1c(=O)c(=Cc2ccc(C)s2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000758070566 1072940573 /nfs/dbraw/zinc/94/05/73/1072940573.db2.gz UZNUBKXQENLHSX-UHFFFAOYSA-N 0 0 442.566 -0.136 20 30 IBEDRN C#CCn1c(=O)c(=Cc2ccc(C(=O)OC)cc2)sc1=C(C#N)C(=O)NCCOC ZINC000758070632 1072941052 /nfs/dbraw/zinc/94/10/52/1072941052.db2.gz WDPPKRIQJJRLFM-UHFFFAOYSA-N 0 0 425.466 -0.405 20 30 IBEDRN C#CCn1c(=O)c(=Cc2cc(C)c(OCC(=O)OC)c(C)c2)sc1=C(C#N)C(=O)NC ZINC000758070719 1072940644 /nfs/dbraw/zinc/94/06/44/1072940644.db2.gz WOHJIDGSQVMYEU-UHFFFAOYSA-N 0 0 439.493 -0.039 20 30 IBEDRN C#CCn1c(=O)c(=Cc2ccc(S(C)(=O)=O)cc2)sc1=C(C#N)C(=O)NC1CC1 ZINC000758070888 1072940641 /nfs/dbraw/zinc/94/06/41/1072940641.db2.gz ZQSHNGOAAWLXID-UHFFFAOYSA-N 0 0 427.507 -0.272 20 30 IBEDRN C#CCn1c(=O)c(=Cc2cccs2)sc1=C(C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000758071512 1072940986 /nfs/dbraw/zinc/94/09/86/1072940986.db2.gz KNFRURYFOUPCCE-UHFFFAOYSA-N 0 0 433.536 -0.635 20 30 IBEDRN C#CCn1c(=O)c(=Cc2ccc(C)s2)sc1=C(C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000758074741 1072941039 /nfs/dbraw/zinc/94/10/39/1072941039.db2.gz CLFKJYUFUZXMGL-UHFFFAOYSA-N 0 0 447.563 -0.327 20 30 IBEDRN C#CCn1c(=O)c(=Cc2ccccc2)sc1=C(C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000758075552 1072941032 /nfs/dbraw/zinc/94/10/32/1072941032.db2.gz KNQKSBWTXHCYJT-UHFFFAOYSA-N 0 0 427.507 -0.697 20 30 IBEDRN C#CCn1c(=O)c(=Cc2cnn(C(C)(C)C)c2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000758075871 1072941075 /nfs/dbraw/zinc/94/10/75/1072941075.db2.gz AWLQJCMHPBRXSY-UHFFFAOYSA-N 0 0 425.514 -0.144 20 30 IBEDRN C#CCn1c(=O)c(=Cc2ccc3c(c2)OCCO3)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000758076047 1072941013 /nfs/dbraw/zinc/94/10/13/1072941013.db2.gz DTBYVWRUCAHOBB-UHFFFAOYSA-N 0 0 437.477 -0.324 20 30 IBEDRN C#CCn1c(=O)c(=Cc2ccc(S(C)(=O)=O)cc2)sc1=C(C#N)C(=O)NCC=C ZINC000758076080 1072940949 /nfs/dbraw/zinc/94/09/49/1072940949.db2.gz LPOKCIHTFGYENT-UHFFFAOYSA-N 0 0 427.507 -0.248 20 30 IBEDRN C#CCn1c(=O)c(=Cc2cnn(CCOC)c2)sc1=C(C#N)C(=O)N1CCSCC1 ZINC000758076219 1072941021 /nfs/dbraw/zinc/94/10/21/1072941021.db2.gz PPAKVHGHWMPFOA-UHFFFAOYSA-N 0 0 443.554 -0.536 20 30 IBEDRN C#CCn1c(=O)c(=Cc2cccc3c2OCCO3)sc1=C(C#N)C(=O)NCCCOC ZINC000758077273 1072941089 /nfs/dbraw/zinc/94/10/89/1072941089.db2.gz VAMWXCUPAOLUTG-UHFFFAOYSA-N 0 0 439.493 -0.030 20 30 IBEDRN C#CCn1c(=O)c(=Cc2cc(C(=O)OC)c(C)o2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000758077426 1072941046 /nfs/dbraw/zinc/94/10/46/1072941046.db2.gz WEAZWHTUPWGFFH-UHFFFAOYSA-N 0 0 441.465 -0.407 20 30 IBEDRN C#CCn1c(=O)c(=Cc2scnc2C)sc1=C(C#N)C(=O)N1CCN(CC)CC1 ZINC000758078085 1072940973 /nfs/dbraw/zinc/94/09/73/1072940973.db2.gz HIHGUXDKAUDVKY-UHFFFAOYSA-N 0 0 427.555 -0.025 20 30 IBEDRN C#CCn1c(=O)c(=Cc2ccsc2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000758078120 1072941096 /nfs/dbraw/zinc/94/10/96/1072941096.db2.gz HTQWSEGHNIIHIY-UHFFFAOYSA-N 0 0 428.539 -0.444 20 30 IBEDRN C#CCn1c(=O)c(=Cc2sccc2C)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000758078584 1072941100 /nfs/dbraw/zinc/94/11/00/1072941100.db2.gz PWYNFTIOVQTITG-UHFFFAOYSA-N 0 0 442.566 -0.136 20 30 IBEDRN C#CCn1c(=O)c(=Cc2cnn(C(C)C)c2)sc1=C(C#N)C(=O)N1CCN(CC)CC1 ZINC000758078642 1072940957 /nfs/dbraw/zinc/94/09/57/1072940957.db2.gz QRXQTZBLEJTKEN-UHFFFAOYSA-N 0 0 438.557 -0.012 20 30 IBEDRN C#CCn1c(=O)c(=Cc2c(C)nn(C)c2C)sc1=C(C#N)C(=O)NCCCOCC ZINC000758079138 1072941556 /nfs/dbraw/zinc/94/15/56/1072941556.db2.gz YPEBXZITASGXIV-UHFFFAOYSA-N 0 0 427.530 -0.061 20 30 IBEDRN C#CCn1c(=O)c(=Cc2cnn(CCOC)c2)sc1=C(C#N)C(=O)NCCCOC ZINC000758079462 1072941065 /nfs/dbraw/zinc/94/10/65/1072941065.db2.gz JWLSQKCETQQPDE-UHFFFAOYSA-N 0 0 429.502 -0.958 20 30 IBEDRN C#CCn1c(=O)c(=Cc2c[nH]c(C(=O)OC)c2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000758079505 1072941583 /nfs/dbraw/zinc/94/15/83/1072941583.db2.gz LYSITXUZYCGBCN-UHFFFAOYSA-N 0 0 426.454 -0.980 20 30 IBEDRN C#CCn1c(=O)c(=Cc2ccc(C(=O)OC)cc2)sc1=C(C#N)C(=O)NCCCOC ZINC000758079812 1072941008 /nfs/dbraw/zinc/94/10/08/1072941008.db2.gz SAAVDEQYXZOXAX-UHFFFAOYSA-N 0 0 439.493 -0.015 20 30 IBEDRN C#CCn1c(=O)c(=Cc2ccc(C)cn2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000758083406 1072941515 /nfs/dbraw/zinc/94/15/15/1072941515.db2.gz LZQMJTZOWORWGR-UHFFFAOYSA-N 0 0 437.525 -0.802 20 30 IBEDRN C#CCn1c(=O)c(=Cc2csc(C)n2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000758084893 1072941538 /nfs/dbraw/zinc/94/15/38/1072941538.db2.gz VTSCLQRGZXHNPD-UHFFFAOYSA-N 0 0 443.554 -0.741 20 30 IBEDRN C#CCn1c(=O)c(=Cc2cnn(-c3ccccc3)n2)sc1=C(C#N)C(=O)NCCOC ZINC000758085279 1072941495 /nfs/dbraw/zinc/94/14/95/1072941495.db2.gz WARVGPUASNVQRE-UHFFFAOYSA-N 0 0 434.481 -0.611 20 30 IBEDRN C#CCn1c(=O)c(=Cc2cnn3ccccc23)sc1=C(C#N)C(=O)N1CCN(CC)CC1 ZINC000758085472 1072941439 /nfs/dbraw/zinc/94/14/39/1072941439.db2.gz XTFOYGHQIGHVOQ-UHFFFAOYSA-N 0 0 446.536 -0.142 20 30 IBEDRN C#CCn1c(=O)c(=Cc2ccc(CC)o2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000758085614 1072941458 /nfs/dbraw/zinc/94/14/58/1072941458.db2.gz ZHFPFVFLNPBTJJ-UHFFFAOYSA-N 0 0 440.525 -0.350 20 30 IBEDRN C#CCn1c(=O)c(=Cc2ccc(OCCOC)cc2)sc1=C(C#N)C(=O)NCCOC ZINC000758088415 1072941522 /nfs/dbraw/zinc/94/15/22/1072941522.db2.gz FBDWTLKPPPYYSV-UHFFFAOYSA-N 0 0 441.509 -0.166 20 30 IBEDRN C#CCn1c(=O)c(=Cc2ccc(C)cc2)sc1=C(C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000758088441 1072941565 /nfs/dbraw/zinc/94/15/65/1072941565.db2.gz DPHJMZLYPUZTRU-UHFFFAOYSA-N 0 0 441.534 -0.389 20 30 IBEDRN C#CCn1c(=O)c(=Cc2ccc(OC)cc2OC)sc1=C(C#N)C(=O)NCCOC ZINC000758088848 1072941548 /nfs/dbraw/zinc/94/15/48/1072941548.db2.gz FOPFWROXNBCJMS-UHFFFAOYSA-N 0 0 427.482 -0.174 20 30 IBEDRN C#CCn1c(=O)c(=Cc2occc2C)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000758088920 1072942041 /nfs/dbraw/zinc/94/20/41/1072942041.db2.gz GTCDHMAYPJPLRA-UHFFFAOYSA-N 0 0 426.498 -0.604 20 30 IBEDRN C#CCn1c(=O)c(=Cc2ccc(F)cc2)sc1=C(C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000758089488 1072941580 /nfs/dbraw/zinc/94/15/80/1072941580.db2.gz KJMALFJORYSWCH-UHFFFAOYSA-N 0 0 445.497 -0.558 20 30 IBEDRN C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000758089545 1072941478 /nfs/dbraw/zinc/94/14/78/1072941478.db2.gz LPPDIWMYPWMAHY-GWCFXTLKSA-N 0 0 433.870 -0.077 20 30 IBEDRN C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000758089551 1072941543 /nfs/dbraw/zinc/94/15/43/1072941543.db2.gz LPPDIWMYPWMAHY-GXFFZTMASA-N 0 0 433.870 -0.077 20 30 IBEDRN C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000758089557 1072942046 /nfs/dbraw/zinc/94/20/46/1072942046.db2.gz LPPDIWMYPWMAHY-MFKMUULPSA-N 0 0 433.870 -0.077 20 30 IBEDRN C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000758089562 1072942035 /nfs/dbraw/zinc/94/20/35/1072942035.db2.gz LPPDIWMYPWMAHY-ZWNOBZJWSA-N 0 0 433.870 -0.077 20 30 IBEDRN C#CCn1c(=O)c(=Cc2ccc3c(c2)OCCO3)sc1=C(C#N)C(=O)NCCOC ZINC000758089784 1072941532 /nfs/dbraw/zinc/94/15/32/1072941532.db2.gz OAMRSAITSJNJAD-UHFFFAOYSA-N 0 0 425.466 -0.420 20 30 IBEDRN C#CCn1c(=O)c(=Cc2cccc(C)c2)sc1=C(C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000758090661 1072942027 /nfs/dbraw/zinc/94/20/27/1072942027.db2.gz QPLKWLUMJGRQLA-UHFFFAOYSA-N 0 0 441.534 -0.389 20 30 IBEDRN C#CCn1c(=O)c(=Cc2scnc2C)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000758091123 1072942029 /nfs/dbraw/zinc/94/20/29/1072942029.db2.gz TXWVSVVDNVPJQC-UHFFFAOYSA-N 0 0 443.554 -0.741 20 30 IBEDRN C#CCn1c(=O)c(=Cc2cc(C(=O)OC)c(C)o2)sc1=C(C#N)C(=O)NCCOC ZINC000758092010 1072942069 /nfs/dbraw/zinc/94/20/69/1072942069.db2.gz ZQUZDEWJYSCPLQ-UHFFFAOYSA-N 0 0 429.454 -0.503 20 30 IBEDRN CN1CCN(S(=O)(=O)c2ccc(N=NC3CCC4(CC3)NC(=O)NC4=O)nc2)CC1 ZINC000758099743 1072942501 /nfs/dbraw/zinc/94/25/01/1072942501.db2.gz MYKZFFSWIZUBTO-UHFFFAOYSA-N 0 0 435.510 -0.062 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1C[C@@H]1CCCCO1 ZINC000758100727 1072942542 /nfs/dbraw/zinc/94/25/42/1072942542.db2.gz VZZWSZYPHNXIDZ-HNNXBMFYSA-N 0 0 431.518 -0.522 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1C[C@H]1CCCCO1 ZINC000758100736 1072942480 /nfs/dbraw/zinc/94/24/80/1072942480.db2.gz VZZWSZYPHNXIDZ-OAHLLOKOSA-N 0 0 431.518 -0.522 20 30 IBEDRN CCn1cc(C=c2sc(=C(C#N)C(=O)NCCOC)n(C[C@@H]3CCCCO3)c2=O)cn1 ZINC000758101076 1072942412 /nfs/dbraw/zinc/94/24/12/1072942412.db2.gz YHTXAXSRFWFFEZ-INIZCTEOSA-N 0 0 445.545 -0.039 20 30 IBEDRN CCn1cc(C=c2sc(=C(C#N)C(=O)NCCOC)n(C[C@H]3CCCCO3)c2=O)cn1 ZINC000758101077 1072942494 /nfs/dbraw/zinc/94/24/94/1072942494.db2.gz YHTXAXSRFWFFEZ-MRXNPFEDSA-N 0 0 445.545 -0.039 20 30 IBEDRN CN1CCN(S(=O)(=O)c2cccnc2N=NC2CCC3(CC2)NC(=O)NC3=O)CC1 ZINC000758109005 1072942432 /nfs/dbraw/zinc/94/24/32/1072942432.db2.gz FZLQDZIBZAYVPS-UHFFFAOYSA-N 0 0 435.510 -0.062 20 30 IBEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1C[C@@H]1CCCCO1 ZINC000758117907 1072942474 /nfs/dbraw/zinc/94/24/74/1072942474.db2.gz IZMDWAZNOSRRIB-INIZCTEOSA-N 0 0 445.545 -0.132 20 30 IBEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1C[C@H]1CCCCO1 ZINC000758117908 1072942346 /nfs/dbraw/zinc/94/23/46/1072942346.db2.gz IZMDWAZNOSRRIB-MRXNPFEDSA-N 0 0 445.545 -0.132 20 30 IBEDRN Cn1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C[C@@H]3CCCCO3)c2=O)cn1 ZINC000758121188 1072942552 /nfs/dbraw/zinc/94/25/52/1072942552.db2.gz VDWHETWWXCHAFO-INIZCTEOSA-N 0 0 443.529 -0.426 20 30 IBEDRN Cn1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C[C@H]3CCCCO3)c2=O)cn1 ZINC000758121190 1072942360 /nfs/dbraw/zinc/94/23/60/1072942360.db2.gz VDWHETWWXCHAFO-MRXNPFEDSA-N 0 0 443.529 -0.426 20 30 IBEDRN C#CCN1CCN(C(=O)CNc2cc(C(N)=O)ccc2CN2C(=O)CN(C)C2=O)CC1 ZINC000758128845 1072942519 /nfs/dbraw/zinc/94/25/19/1072942519.db2.gz JMCUZBLPCQPVKJ-UHFFFAOYSA-N 0 0 426.477 -0.631 20 30 IBEDRN CC(C)NS(=O)(=O)NCCNC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000758175753 1072942953 /nfs/dbraw/zinc/94/29/53/1072942953.db2.gz SPXLVVXNSZVXPV-GFCCVEGCSA-N 0 0 431.540 -0.548 20 30 IBEDRN CC(C)NS(=O)(=O)NCCNC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000758175772 1072943027 /nfs/dbraw/zinc/94/30/27/1072943027.db2.gz SPXLVVXNSZVXPV-LBPRGKRZSA-N 0 0 431.540 -0.548 20 30 IBEDRN O=C(NCCNS(=O)(=O)CCNS(=O)(=O)c1ccccc1)C1N=CC=CC1=O ZINC000758349124 1072945636 /nfs/dbraw/zinc/94/56/36/1072945636.db2.gz YNXRFPGSWMPLNG-FOCLMDBBSA-N 0 0 428.492 -0.589 20 30 IBEDRN O=C(NCCNS(=O)(=O)CCNS(=O)(=O)c1ccccc1)C1N=CC=CC1=O ZINC000758349125 1072945683 /nfs/dbraw/zinc/94/56/83/1072945683.db2.gz YNXRFPGSWMPLNG-NXVVXOECSA-N 0 0 428.492 -0.589 20 30 IBEDRN C#CCNC(=O)C1CCN(c2nc(NC)nc(N3CCC(C(=O)NCC#C)CC3)n2)CC1 ZINC000758415902 1072946053 /nfs/dbraw/zinc/94/60/53/1072946053.db2.gz ABLJEHKXQZMTCS-UHFFFAOYSA-N 0 0 438.536 -0.733 20 30 IBEDRN CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)NCCN2CCN(S(C)(=O)=O)CC2)C1 ZINC000758429221 1072946171 /nfs/dbraw/zinc/94/61/71/1072946171.db2.gz MVQAVMMPBMYEMU-CABCVRRESA-N 0 0 444.558 -0.378 20 30 IBEDRN CC(C)(C)OC(=O)N1C[C@H](NC(=O)NCCN2CCN(S(C)(=O)=O)CC2)[C@@H](C#N)C1 ZINC000758429222 1072946168 /nfs/dbraw/zinc/94/61/68/1072946168.db2.gz MVQAVMMPBMYEMU-GJZGRUSLSA-N 0 0 444.558 -0.378 20 30 IBEDRN CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@H](NC(=O)NCCN2CCN(S(C)(=O)=O)CC2)C1 ZINC000758429224 1072946142 /nfs/dbraw/zinc/94/61/42/1072946142.db2.gz MVQAVMMPBMYEMU-HUUCEWRRSA-N 0 0 444.558 -0.378 20 30 IBEDRN CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NCCN2CCN(S(C)(=O)=O)CC2)C1 ZINC000758429225 1072946085 /nfs/dbraw/zinc/94/60/85/1072946085.db2.gz MVQAVMMPBMYEMU-LSDHHAIUSA-N 0 0 444.558 -0.378 20 30 IBEDRN CC(C)(C)OC(=O)N1C[C@H](NC(=O)NCCS(=O)(=O)N2CCOCC2)[C@@H](C#N)C1 ZINC000758432788 1072946122 /nfs/dbraw/zinc/94/61/22/1072946122.db2.gz PDSKQRWAPNKNTG-KBPBESRZSA-N 0 0 431.515 -0.293 20 30 IBEDRN CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)NCCS(=O)(=O)N2CCOCC2)C1 ZINC000758432807 1072946152 /nfs/dbraw/zinc/94/61/52/1072946152.db2.gz PDSKQRWAPNKNTG-KGLIPLIRSA-N 0 0 431.515 -0.293 20 30 IBEDRN CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NCCS(=O)(=O)N2CCOCC2)C1 ZINC000758432810 1072946166 /nfs/dbraw/zinc/94/61/66/1072946166.db2.gz PDSKQRWAPNKNTG-UONOGXRCSA-N 0 0 431.515 -0.293 20 30 IBEDRN CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@H](NC(=O)NCCS(=O)(=O)N2CCOCC2)C1 ZINC000758432813 1072946139 /nfs/dbraw/zinc/94/61/39/1072946139.db2.gz PDSKQRWAPNKNTG-ZIAGYGMSSA-N 0 0 431.515 -0.293 20 30 IBEDRN C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc3c4c(c2)CCC(=O)N4CCC3)CC1 ZINC000758454942 1072946660 /nfs/dbraw/zinc/94/66/60/1072946660.db2.gz NIUHOBIYIWIBKK-UHFFFAOYSA-N 0 0 430.530 -0.032 20 30 IBEDRN CNC(=O)C(C#N)=c1sc(=Cc2ccc(O[C@H](C)C(=O)OC)cc2)c(=O)n1CCOC ZINC000758558182 1072949224 /nfs/dbraw/zinc/94/92/24/1072949224.db2.gz LQCQMDCQGOORPN-CYBMUJFWSA-N 0 0 445.497 -0.254 20 30 IBEDRN CNC(=O)C(C#N)=c1sc(=Cc2ccc(O[C@@H](C)C(=O)OC)cc2)c(=O)n1CCOC ZINC000758558185 1072949215 /nfs/dbraw/zinc/94/92/15/1072949215.db2.gz LQCQMDCQGOORPN-ZDUSSCGKSA-N 0 0 445.497 -0.254 20 30 IBEDRN COC(=O)[C@@H](C)Oc1ccc(C=c2sc(=C(C#N)C#N)n(CC(=O)N(C)C)c2=O)cc1 ZINC000758583352 1072949367 /nfs/dbraw/zinc/94/93/67/1072949367.db2.gz DGAQCPLLTJZIBR-CYBMUJFWSA-N 0 0 440.481 -0.035 20 30 IBEDRN COC(=O)[C@H](C)Oc1ccc(C=c2sc(=C(C#N)C#N)n(CC(=O)N(C)C)c2=O)cc1 ZINC000758583354 1072949442 /nfs/dbraw/zinc/94/94/42/1072949442.db2.gz DGAQCPLLTJZIBR-ZDUSSCGKSA-N 0 0 440.481 -0.035 20 30 IBEDRN Cn1c(=O)c(=Cc2ccc(N3CCCC3)nc2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000758585828 1072949424 /nfs/dbraw/zinc/94/94/24/1072949424.db2.gz OKTUFSNPGPIZNA-UHFFFAOYSA-N 0 0 425.514 -0.196 20 30 IBEDRN CC(C)c1ncc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C)c2=O)s1 ZINC000758587402 1072949846 /nfs/dbraw/zinc/94/98/46/1072949846.db2.gz XDVABPGXZLQISE-UHFFFAOYSA-N 0 0 447.586 -0.022 20 30 IBEDRN CC(C)c1ncc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CC(N)=O)c2=O)s1 ZINC000758587821 1072949895 /nfs/dbraw/zinc/94/98/95/1072949895.db2.gz CWKCIVHVQPHLHL-UHFFFAOYSA-N 0 0 447.542 -0.663 20 30 IBEDRN N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccc(N3CCCC3)nc2)c(=O)n1CC(N)=O ZINC000758588419 1072950002 /nfs/dbraw/zinc/95/00/02/1072950002.db2.gz FYZYIYUSTWJYQN-UHFFFAOYSA-N 0 0 438.513 -0.828 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cnc(C(C)C)s2)c(=O)n1CC(N)=O ZINC000758589082 1072949913 /nfs/dbraw/zinc/94/99/13/1072949913.db2.gz NCQXGIRDCGIGNB-UHFFFAOYSA-N 0 0 435.531 -0.759 20 30 IBEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(N3CCCC3)nc2)c(=O)n1CC(N)=O ZINC000758589160 1072949811 /nfs/dbraw/zinc/94/98/11/1072949811.db2.gz NLRZYWYFHVYZDF-UHFFFAOYSA-N 0 0 438.513 -0.804 20 30 IBEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(N3CCCC3)nc2)c(=O)n1CC(N)=O ZINC000758589260 1072949776 /nfs/dbraw/zinc/94/97/76/1072949776.db2.gz NWHUDMAUWZRLLY-UHFFFAOYSA-N 0 0 440.529 -0.580 20 30 IBEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(N3CCCC3)nc2)c(=O)n1CC(N)=O ZINC000758589392 1072949991 /nfs/dbraw/zinc/94/99/91/1072949991.db2.gz QGVZBUGYJGPPSP-UHFFFAOYSA-N 0 0 440.529 -0.582 20 30 IBEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cnc(C(C)C)s2)c(=O)n1CC(N)=O ZINC000758589728 1072949876 /nfs/dbraw/zinc/94/98/76/1072949876.db2.gz WLDGQOLAEQTMHM-UHFFFAOYSA-N 0 0 449.558 -0.369 20 30 IBEDRN CS(=O)(=O)CCn1c(=O)c(=Cc2ccc(N3CCCC3)nc2)sc1=C(C#N)C#N ZINC000758592546 1072949961 /nfs/dbraw/zinc/94/99/61/1072949961.db2.gz FJPDIOASEFKUCP-UHFFFAOYSA-N 0 0 429.527 -0.024 20 30 IBEDRN CS(=O)(=O)NCCn1c(=O)c(=Cc2ccc(N3CCCC3)nc2)sc1=C(C#N)C#N ZINC000758598230 1072949794 /nfs/dbraw/zinc/94/97/94/1072949794.db2.gz YQWMWBSRRMOKHA-UHFFFAOYSA-N 0 0 444.542 -0.519 20 30 IBEDRN CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@H](NS(=O)(=O)N2CCN(S(C)(=O)=O)CC2)C1 ZINC000758645324 1072950017 /nfs/dbraw/zinc/95/00/17/1072950017.db2.gz QORIVRPCZAWVGS-CHWSQXEVSA-N 0 0 437.544 -0.843 20 30 IBEDRN CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NS(=O)(=O)N2CCN(S(C)(=O)=O)CC2)C1 ZINC000758645325 1072950368 /nfs/dbraw/zinc/95/03/68/1072950368.db2.gz QORIVRPCZAWVGS-OLZOCXBDSA-N 0 0 437.544 -0.843 20 30 IBEDRN CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NS(=O)(=O)N2CCN(S(C)(=O)=O)CC2)C1 ZINC000758645326 1072950464 /nfs/dbraw/zinc/95/04/64/1072950464.db2.gz QORIVRPCZAWVGS-QWHCGFSZSA-N 0 0 437.544 -0.843 20 30 IBEDRN CC(C)(C)OC(=O)N1C[C@H](NS(=O)(=O)N2CCN(S(C)(=O)=O)CC2)[C@@H](C#N)C1 ZINC000758645328 1072949785 /nfs/dbraw/zinc/94/97/85/1072949785.db2.gz QORIVRPCZAWVGS-STQMWFEESA-N 0 0 437.544 -0.843 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)CC1 ZINC000758657327 1072950554 /nfs/dbraw/zinc/95/05/54/1072950554.db2.gz ICBUPCGDDYVSLQ-JOCHJYFZSA-N 0 0 425.489 -0.174 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)CC1 ZINC000758657328 1072950420 /nfs/dbraw/zinc/95/04/20/1072950420.db2.gz ICBUPCGDDYVSLQ-QFIPXVFZSA-N 0 0 425.489 -0.174 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)CN2C(=O)N[C@](C)(c3ccc(OC)cc3)C2=O)CC1 ZINC000758661235 1072950504 /nfs/dbraw/zinc/95/05/04/1072950504.db2.gz HACQBEZPEUPPPG-JOCHJYFZSA-N 0 0 443.504 -0.091 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)CN2C(=O)N[C@@](C)(c3ccc(OC)cc3)C2=O)CC1 ZINC000758661267 1072950487 /nfs/dbraw/zinc/95/04/87/1072950487.db2.gz HACQBEZPEUPPPG-QFIPXVFZSA-N 0 0 443.504 -0.091 20 30 IBEDRN CC(C)(C)OC(=O)N1C[C@H](NC(=O)N2CCN(C(=O)Cn3cnnn3)CC2)[C@@H](C#N)C1 ZINC000758754038 1072950499 /nfs/dbraw/zinc/95/04/99/1072950499.db2.gz AHELYEPYUYQUSP-KBPBESRZSA-N 0 0 433.473 -0.714 20 30 IBEDRN CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)N2CCN(C(=O)Cn3cnnn3)CC2)C1 ZINC000758754041 1072950394 /nfs/dbraw/zinc/95/03/94/1072950394.db2.gz AHELYEPYUYQUSP-KGLIPLIRSA-N 0 0 433.473 -0.714 20 30 IBEDRN CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CCN(C(=O)Cn3cnnn3)CC2)C1 ZINC000758754043 1072950572 /nfs/dbraw/zinc/95/05/72/1072950572.db2.gz AHELYEPYUYQUSP-UONOGXRCSA-N 0 0 433.473 -0.714 20 30 IBEDRN CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@H](NC(=O)N2CCN(C(=O)Cn3cnnn3)CC2)C1 ZINC000758754047 1072950410 /nfs/dbraw/zinc/95/04/10/1072950410.db2.gz AHELYEPYUYQUSP-ZIAGYGMSSA-N 0 0 433.473 -0.714 20 30 IBEDRN CN(C)S(=O)(=O)N1CCN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC1 ZINC000758773996 1072950922 /nfs/dbraw/zinc/95/09/22/1072950922.db2.gz GPNRHQHLBARWTQ-KBPBESRZSA-N 0 0 430.531 -0.121 20 30 IBEDRN CN(C)S(=O)(=O)N1CCN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1 ZINC000758774003 1072950857 /nfs/dbraw/zinc/95/08/57/1072950857.db2.gz GPNRHQHLBARWTQ-KGLIPLIRSA-N 0 0 430.531 -0.121 20 30 IBEDRN CN(C)S(=O)(=O)N1CCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC1 ZINC000758774007 1072951073 /nfs/dbraw/zinc/95/10/73/1072951073.db2.gz GPNRHQHLBARWTQ-UONOGXRCSA-N 0 0 430.531 -0.121 20 30 IBEDRN CN(C)S(=O)(=O)N1CCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1 ZINC000758774011 1072951027 /nfs/dbraw/zinc/95/10/27/1072951027.db2.gz GPNRHQHLBARWTQ-ZIAGYGMSSA-N 0 0 430.531 -0.121 20 30 IBEDRN CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)C1 ZINC000758774477 1072950350 /nfs/dbraw/zinc/95/03/50/1072950350.db2.gz HLRZOSXLFPSLRH-DZGCQCFKSA-N 0 0 434.497 -0.122 20 30 IBEDRN CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)C1 ZINC000758774486 1072950990 /nfs/dbraw/zinc/95/09/90/1072950990.db2.gz HLRZOSXLFPSLRH-HIFRSBDPSA-N 0 0 434.497 -0.122 20 30 IBEDRN CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@H](NC(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)C1 ZINC000758774489 1072950894 /nfs/dbraw/zinc/95/08/94/1072950894.db2.gz HLRZOSXLFPSLRH-UKRRQHHQSA-N 0 0 434.497 -0.122 20 30 IBEDRN CC(C)(C)OC(=O)N1C[C@H](NC(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)[C@@H](C#N)C1 ZINC000758774492 1072950954 /nfs/dbraw/zinc/95/09/54/1072950954.db2.gz HLRZOSXLFPSLRH-ZFWWWQNUSA-N 0 0 434.497 -0.122 20 30 IBEDRN COc1cc2c(cc1C=c1sc(=C(C#N)C#N)n(CCS(C)(=O)=O)c1=O)OCO2 ZINC000758953932 1072952203 /nfs/dbraw/zinc/95/22/03/1072952203.db2.gz JIORYNALLJRYQQ-UHFFFAOYSA-N 0 0 433.467 -0.282 20 30 IBEDRN COc1cc2c(cc1C=c1sc(=C(C#N)C#N)n(CCNS(C)(=O)=O)c1=O)OCO2 ZINC000758954689 1072951906 /nfs/dbraw/zinc/95/19/06/1072951906.db2.gz NHHAIRQXXYMGCA-UHFFFAOYSA-N 0 0 448.482 -0.777 20 30 IBEDRN C#CCn1c(=O)c(=Cc2cc3c(cc2OC)OCO3)sc1=C(C#N)C(=O)NCCOC ZINC000758956831 1072952065 /nfs/dbraw/zinc/95/20/65/1072952065.db2.gz YTYJRUNZIQDNDS-UHFFFAOYSA-N 0 0 441.465 -0.454 20 30 IBEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC(n3cc(C(=O)OC)nn3)CC2)c1=O ZINC000758964002 1072952126 /nfs/dbraw/zinc/95/21/26/1072952126.db2.gz KRSQAYHJBGBSSX-UHFFFAOYSA-N 0 0 431.453 -0.784 20 30 IBEDRN N#CC1(CS(=O)(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)CCCC1 ZINC000759004142 1072952652 /nfs/dbraw/zinc/95/26/52/1072952652.db2.gz PTYRNDOKOUKRBN-AWEZNQCLSA-N 0 0 439.581 -0.465 20 30 IBEDRN N#CC1(CS(=O)(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)CCCC1 ZINC000759004144 1072952549 /nfs/dbraw/zinc/95/25/49/1072952549.db2.gz PTYRNDOKOUKRBN-CQSZACIVSA-N 0 0 439.581 -0.465 20 30 IBEDRN CCS(=O)(=O)CCN(C)CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000759381769 1072955454 /nfs/dbraw/zinc/95/54/54/1072955454.db2.gz LEQHAJPLCFKKKQ-UHFFFAOYSA-N 0 0 442.563 -0.242 20 30 IBEDRN CN(C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)C1CCN(S(C)(=O)=O)CC1 ZINC000759464184 1072955855 /nfs/dbraw/zinc/95/58/55/1072955855.db2.gz CZEGJISVGYDEJM-UHFFFAOYSA-N 0 0 428.536 -0.002 20 30 IBEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3cn(CC4(C)COC4)nn3)CC2)o1 ZINC000759769158 1072958974 /nfs/dbraw/zinc/95/89/74/1072958974.db2.gz KUVSRCLRHKKMSV-UHFFFAOYSA-N 0 0 429.437 -0.012 20 30 IBEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2coc(C(N)=O)c2)CC1 ZINC000759769724 1072958950 /nfs/dbraw/zinc/95/89/50/1072958950.db2.gz UTDKOZLBJLCSNV-UHFFFAOYSA-N 0 0 446.441 -0.060 20 30 IBEDRN C#CCNC(=O)CN1CCCN(C(=O)CNS(=O)(=O)c2ccc3c(c2)COC3)CC1 ZINC000759786171 1071372739 /nfs/dbraw/zinc/37/27/39/1071372739.db2.gz IGFUEHCEKZYKQE-UHFFFAOYSA-N 0 0 434.518 -0.721 20 30 IBEDRN COC(=O)c1cn(C2CCN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CC2)nn1 ZINC000760103548 1072590507 /nfs/dbraw/zinc/59/05/07/1072590507.db2.gz ILZCTWHOIOHMFZ-UHFFFAOYSA-N 0 0 432.462 -0.033 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)[C@](C)(O)CN2c3ccccc3C(C)(C)C2=O)CC1 ZINC000760263210 1072885195 /nfs/dbraw/zinc/88/51/95/1072885195.db2.gz XBJRHEFQYJHFOV-HSZRJFAPSA-N 0 0 426.517 -0.045 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)[C@@](C)(O)CN2c3ccccc3C(C)(C)C2=O)CC1 ZINC000760263212 1072885258 /nfs/dbraw/zinc/88/52/58/1072885258.db2.gz XBJRHEFQYJHFOV-QHCPKHFHSA-N 0 0 426.517 -0.045 20 30 IBEDRN C#CCSCCNC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000760368392 1072992335 /nfs/dbraw/zinc/99/23/35/1072992335.db2.gz QAFLLAYQDXTXBQ-AWEZNQCLSA-N 0 0 441.531 -0.147 20 30 IBEDRN C#CCSCCNC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000760368394 1072992381 /nfs/dbraw/zinc/99/23/81/1072992381.db2.gz QAFLLAYQDXTXBQ-CQSZACIVSA-N 0 0 441.531 -0.147 20 30 IBEDRN Cc1cc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C)c2=O)cnc1Cl ZINC000760375449 1072992864 /nfs/dbraw/zinc/99/28/64/1072992864.db2.gz GOAYCNGNOGPZOX-UHFFFAOYSA-N 0 0 447.948 -0.245 20 30 IBEDRN N#CCOc1cccc(CC(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)c1 ZINC000760375824 1072992458 /nfs/dbraw/zinc/99/24/58/1072992458.db2.gz HYVGFWWUSMPEII-KRWDZBQOSA-N 0 0 441.531 -0.207 20 30 IBEDRN N#CCOc1cccc(CC(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)c1 ZINC000760375828 1072992745 /nfs/dbraw/zinc/99/27/45/1072992745.db2.gz HYVGFWWUSMPEII-QGZVFWFLSA-N 0 0 441.531 -0.207 20 30 IBEDRN CS(=O)(=O)NCCn1c(=O)c(=Cc2cccc(-n3cccn3)c2)sc1=C(C#N)C#N ZINC000760378675 1072993236 /nfs/dbraw/zinc/99/32/36/1072993236.db2.gz MJQYNBXYBAULKE-UHFFFAOYSA-N 0 0 440.510 -0.329 20 30 IBEDRN CNC(=O)C(C#N)=c1sc(=Cc2cnc(Cl)c(C)c2)c(=O)n1CCN1CCOCC1 ZINC000760379396 1072993215 /nfs/dbraw/zinc/99/32/15/1072993215.db2.gz XNKQHTNQVQOCLT-UHFFFAOYSA-N 0 0 447.948 -0.152 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cnc(C3CCC3)s2)c(=O)n1CC(N)=O ZINC000760384489 1072992786 /nfs/dbraw/zinc/99/27/86/1072992786.db2.gz BGFYGPMCRQKEHT-UHFFFAOYSA-N 0 0 447.542 -0.615 20 30 IBEDRN Cc1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CC(N)=O)c2=O)cnc1Cl ZINC000760384620 1072992749 /nfs/dbraw/zinc/99/27/49/1072992749.db2.gz FYWQOIHPMPHOEV-UHFFFAOYSA-N 0 0 447.904 -0.886 20 30 IBEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cnc(Cl)c(C)c2)c(=O)n1CC(N)=O ZINC000760385238 1072992732 /nfs/dbraw/zinc/99/27/32/1072992732.db2.gz OMGYSHQDJWHUTP-UHFFFAOYSA-N 0 0 449.920 -0.592 20 30 IBEDRN N#CC(C(=O)NC1CC1)=c1sc(=Cc2cnc(C3CCC3)s2)c(=O)n1CC(N)=O ZINC000760385249 1072993349 /nfs/dbraw/zinc/99/33/49/1072993349.db2.gz OQSBGVWSGZRNLI-UHFFFAOYSA-N 0 0 429.527 -0.099 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cnc(Cl)c(C)c2)c(=O)n1CC(N)=O ZINC000760385303 1072993231 /nfs/dbraw/zinc/99/32/31/1072993231.db2.gz PRGGJMNRKCWPNU-UHFFFAOYSA-N 0 0 435.893 -0.982 20 30 IBEDRN Cc1cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CC(N)=O)c2=O)cnc1Cl ZINC000760385508 1072993338 /nfs/dbraw/zinc/99/33/38/1072993338.db2.gz RSOSIWMOJMLIRR-UHFFFAOYSA-N 0 0 431.905 -0.123 20 30 IBEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cnc(C3CCC3)s2)c(=O)n1CC(N)=O ZINC000760385899 1072993315 /nfs/dbraw/zinc/99/33/15/1072993315.db2.gz ZLSDONPVLCZXIV-UHFFFAOYSA-N 0 0 429.527 -0.076 20 30 IBEDRN COC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 ZINC000760425527 1072993763 /nfs/dbraw/zinc/99/37/63/1072993763.db2.gz ZLWACICGUKCMFA-AWEZNQCLSA-N 0 0 438.506 -0.065 20 30 IBEDRN C[C@H]1CC(NC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c2ccc3c(c2)OCCO3)=NO1 ZINC000760483201 1072994780 /nfs/dbraw/zinc/99/47/80/1072994780.db2.gz AXPPEIJCIRTUMK-CMPLNLGQSA-N 0 0 426.451 -0.391 20 30 IBEDRN C[C@H]1CC(NC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c2ccc3c(c2)OCCO3)=NO1 ZINC000760483204 1072994766 /nfs/dbraw/zinc/99/47/66/1072994766.db2.gz AXPPEIJCIRTUMK-JQWIXIFHSA-N 0 0 426.451 -0.391 20 30 IBEDRN C[C@@H]1CC(NC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c2ccc3c(c2)OCCO3)=NO1 ZINC000760483207 1072994845 /nfs/dbraw/zinc/99/48/45/1072994845.db2.gz AXPPEIJCIRTUMK-PWSUYJOCSA-N 0 0 426.451 -0.391 20 30 IBEDRN C[C@@H]1CC(NC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c2ccc3c(c2)OCCO3)=NO1 ZINC000760483210 1072994713 /nfs/dbraw/zinc/99/47/13/1072994713.db2.gz AXPPEIJCIRTUMK-ZYHUDNBSSA-N 0 0 426.451 -0.391 20 30 IBEDRN C#CCOCCNC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000760505166 1073000039 /nfs/dbraw/zinc/00/00/39/1073000039.db2.gz MSXQLZSFOLFZOJ-AWEZNQCLSA-N 0 0 425.463 -0.864 20 30 IBEDRN C#CCOCCNC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000760505167 1073000048 /nfs/dbraw/zinc/00/00/48/1073000048.db2.gz MSXQLZSFOLFZOJ-CQSZACIVSA-N 0 0 425.463 -0.864 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)C[C@H](C)NS(=O)(=O)c2cccnc2Cl)CC1 ZINC000760525171 1073064620 /nfs/dbraw/zinc/06/46/20/1073064620.db2.gz VAMVLUQLEYCIHC-AWEZNQCLSA-N 0 0 441.941 -0.315 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)C[C@@H](C)NS(=O)(=O)c2cccnc2Cl)CC1 ZINC000760525448 1073071603 /nfs/dbraw/zinc/07/16/03/1073071603.db2.gz VAMVLUQLEYCIHC-CQSZACIVSA-N 0 0 441.941 -0.315 20 30 IBEDRN C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc(C(=O)OC)oc2Br)CC1 ZINC000760563279 1073082512 /nfs/dbraw/zinc/08/25/12/1073082512.db2.gz LBTPNFYAFUFNCI-UHFFFAOYSA-N 0 0 448.295 -0.116 20 30 IBEDRN N#CCOc1cccc(CC(=O)N2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)c1 ZINC000760569853 1073087536 /nfs/dbraw/zinc/08/75/36/1073087536.db2.gz BCQGPUCGECQOPF-KRWDZBQOSA-N 0 0 434.518 -0.421 20 30 IBEDRN N#CCOc1cccc(CC(=O)N2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)c1 ZINC000760569854 1073087669 /nfs/dbraw/zinc/08/76/69/1073087669.db2.gz BCQGPUCGECQOPF-QGZVFWFLSA-N 0 0 434.518 -0.421 20 30 IBEDRN C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc(S(C)(=O)=O)c(F)c2)CC1 ZINC000760580983 1073199385 /nfs/dbraw/zinc/19/93/85/1073199385.db2.gz JMQSWDUIYPOPFD-UHFFFAOYSA-N 0 0 431.511 -0.325 20 30 IBEDRN C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cccc(S(=O)(=O)CC)c2)CC1 ZINC000760583513 1073307954 /nfs/dbraw/zinc/30/79/54/1073307954.db2.gz XARLUUOYLBVIOD-UHFFFAOYSA-N 0 0 427.548 -0.074 20 30 IBEDRN CC(C)NS(=O)(=O)NCCNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 ZINC000760639177 1073675886 /nfs/dbraw/zinc/67/58/86/1073675886.db2.gz DMGZMYRRFCABIQ-UHFFFAOYSA-N 0 0 431.540 -0.546 20 30 IBEDRN CCCCS(=O)(=O)NCC(=O)OCC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000760692498 1072178760 /nfs/dbraw/zinc/17/87/60/1072178760.db2.gz XIMQBANYUBKHPW-UHFFFAOYSA-N 0 0 427.483 -0.234 20 30 IBEDRN N#Cc1cccc(N2CCN(C(=O)C3=NN([C@H]4CCS(=O)(=O)C4)C(=O)CC3)CC2)n1 ZINC000760777634 1072212557 /nfs/dbraw/zinc/21/25/57/1072212557.db2.gz MRLPEJBYXZGWTM-HNNXBMFYSA-N 0 0 430.490 -0.233 20 30 IBEDRN N#Cc1cccc(N2CCN(C(=O)C3=NN([C@@H]4CCS(=O)(=O)C4)C(=O)CC3)CC2)n1 ZINC000760777635 1072212589 /nfs/dbraw/zinc/21/25/89/1072212589.db2.gz MRLPEJBYXZGWTM-OAHLLOKOSA-N 0 0 430.490 -0.233 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)Nc2cccn(CCS(C)(=O)=O)c2=O)CC1 ZINC000760788005 1072217392 /nfs/dbraw/zinc/21/73/92/1072217392.db2.gz FKHURYKXUMRQFD-UHFFFAOYSA-N 0 0 425.511 -0.655 20 30 IBEDRN CS(=O)(=O)CCn1cccc(NC(=O)N(CCC#N)CCN2CCOCC2)c1=O ZINC000760809504 1072223908 /nfs/dbraw/zinc/22/39/08/1072223908.db2.gz STIMZCUZGGGMGE-UHFFFAOYSA-N 0 0 425.511 -0.027 20 30 IBEDRN C#CCNC(=O)CN1CCN(CC(=O)Nc2cc(-n3nnnc3C3CC3)ccc2F)CC1 ZINC000760835252 1072231271 /nfs/dbraw/zinc/23/12/71/1072231271.db2.gz LSHWVEGXCDRTMH-UHFFFAOYSA-N 0 0 440.483 -0.016 20 30 IBEDRN COC(=O)c1cn([C@@H]2CCN(C(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)C2)nn1 ZINC000760842954 1072233664 /nfs/dbraw/zinc/23/36/64/1072233664.db2.gz JQWNKXJQLABWTC-GFCCVEGCSA-N 0 0 432.462 -0.033 20 30 IBEDRN COC(=O)c1cn([C@H]2CCN(C(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)C2)nn1 ZINC000760842956 1072233146 /nfs/dbraw/zinc/23/31/46/1072233146.db2.gz JQWNKXJQLABWTC-LBPRGKRZSA-N 0 0 432.462 -0.033 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)CCNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000760864587 1072234835 /nfs/dbraw/zinc/23/48/35/1072234835.db2.gz VDWBRWYIKYZBKR-KRWDZBQOSA-N 0 0 449.552 -0.214 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)CCNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000760864592 1072234650 /nfs/dbraw/zinc/23/46/50/1072234650.db2.gz VDWBRWYIKYZBKR-QGZVFWFLSA-N 0 0 449.552 -0.214 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(CC(=O)NCc2cccc(C(=O)NC3CC3)c2)CC1 ZINC000761022665 1072254015 /nfs/dbraw/zinc/25/40/15/1072254015.db2.gz CDVDPKPDOOSXQN-UHFFFAOYSA-N 0 0 433.534 -0.720 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN([C@@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)CC1 ZINC000761022727 1072253888 /nfs/dbraw/zinc/25/38/88/1072253888.db2.gz CYDUCLMORVJYKU-KRWDZBQOSA-N 0 0 435.550 -0.065 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN([C@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)CC1 ZINC000761022728 1072253942 /nfs/dbraw/zinc/25/39/42/1072253942.db2.gz CYDUCLMORVJYKU-QGZVFWFLSA-N 0 0 435.550 -0.065 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C[C@H](O)COc2cccc(C(=O)OCC)c2)CC1 ZINC000761023163 1072254480 /nfs/dbraw/zinc/25/44/80/1072254480.db2.gz FAPRXDRBHQJJHH-KRWDZBQOSA-N 0 0 425.507 -0.312 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C[C@@H](O)COc2cccc(C(=O)OCC)c2)CC1 ZINC000761023184 1072254371 /nfs/dbraw/zinc/25/43/71/1072254371.db2.gz FAPRXDRBHQJJHH-QGZVFWFLSA-N 0 0 425.507 -0.312 20 30 IBEDRN N#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000761024043 1072253878 /nfs/dbraw/zinc/25/38/78/1072253878.db2.gz CLYQBLXNNHNHAP-UHFFFAOYSA-N 0 0 431.424 -0.040 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(CC(=O)N2CCN([C@@H](C)c3ccccc3)CC2)CC1 ZINC000761024323 1072254002 /nfs/dbraw/zinc/25/40/02/1072254002.db2.gz MNUBULHHVSDZLW-IBGZPJMESA-N 0 0 433.578 -0.023 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(CC(=O)N2CCN([C@H](C)c3ccccc3)CC2)CC1 ZINC000761024325 1072253991 /nfs/dbraw/zinc/25/39/91/1072253991.db2.gz MNUBULHHVSDZLW-LJQANCHMSA-N 0 0 433.578 -0.023 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(CC(=O)N(CC)Cc2ccc3c(c2)OCCO3)CC1 ZINC000761024358 1072253906 /nfs/dbraw/zinc/25/39/06/1072253906.db2.gz NBDWVBDIBHELPK-UHFFFAOYSA-N 0 0 436.534 -0.109 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(CCC(=O)Nc2ccc(C(N)=O)c(Cl)c2)CC1 ZINC000761024389 1072253921 /nfs/dbraw/zinc/25/39/21/1072253921.db2.gz NGHKZBLCIYUKLF-UHFFFAOYSA-N 0 0 427.914 -0.147 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(CC(=O)Nc2cc(OC)c(OC)c(OC)c2)CC1 ZINC000761024405 1072253969 /nfs/dbraw/zinc/25/39/69/1072253969.db2.gz NKVGPSKEFVILEB-UHFFFAOYSA-N 0 0 426.495 -0.264 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(Cc2nnnn2-c2ccc(OC(F)F)cc2)CC1 ZINC000761024455 1072253859 /nfs/dbraw/zinc/25/38/59/1072253859.db2.gz NTXKBXQMUYVMHB-UHFFFAOYSA-N 0 0 427.437 -0.151 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(CC(=O)N(C)CC(=O)Nc2cccc(OC)c2)CC1 ZINC000761024803 1072253981 /nfs/dbraw/zinc/25/39/81/1072253981.db2.gz PQHYFEYJMJURAP-UHFFFAOYSA-N 0 0 437.522 -0.823 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(CC(=O)N2CCC(NC(=O)c3ccccc3)CC2)CC1 ZINC000761025462 1072254487 /nfs/dbraw/zinc/25/44/87/1072254487.db2.gz UMGNHZUIRXIYDC-UHFFFAOYSA-N 0 0 447.561 -0.507 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(Cc2nnc3n2c2ccc(C)cc2c(=O)n3C)CC1 ZINC000761025552 1072254397 /nfs/dbraw/zinc/25/43/97/1072254397.db2.gz VDFDTYNSPSILRW-UHFFFAOYSA-N 0 0 429.506 -0.525 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(CC(=O)N2CCN(Cc3ccc(OC)cc3)CC2)CC1 ZINC000761025641 1072254410 /nfs/dbraw/zinc/25/44/10/1072254410.db2.gz WVLDGNXYXFCAIL-UHFFFAOYSA-N 0 0 449.577 -0.575 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(CC(=O)N(CC)CC(=O)NCc2cccs2)CC1 ZINC000761025901 1072254508 /nfs/dbraw/zinc/25/45/08/1072254508.db2.gz XZLUWPRUVCFUJP-UHFFFAOYSA-N 0 0 441.579 -0.702 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(CC(=O)Nc2cc(Cl)ccc2-n2cncn2)CC1 ZINC000761027872 1072254491 /nfs/dbraw/zinc/25/44/91/1072254491.db2.gz BIHBSWWGKKZQDR-UHFFFAOYSA-N 0 0 437.913 -0.056 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN([C@@H](C)C(=O)N2CCN(c3ccc(F)cc3)CC2)CC1 ZINC000761028363 1072254466 /nfs/dbraw/zinc/25/44/66/1072254466.db2.gz FPRHOGFTXYLWHX-KRWDZBQOSA-N 0 0 437.541 -0.052 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN([C@H](C)C(=O)N2CCN(c3ccc(F)cc3)CC2)CC1 ZINC000761028364 1072254495 /nfs/dbraw/zinc/25/44/95/1072254495.db2.gz FPRHOGFTXYLWHX-QGZVFWFLSA-N 0 0 437.541 -0.052 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN([C@@H](C)C(=O)N2CCN(c3ccccc3O)CC2)CC1 ZINC000761028860 1072254877 /nfs/dbraw/zinc/25/48/77/1072254877.db2.gz KXLPEHRTOKJZLZ-KRWDZBQOSA-N 0 0 435.550 -0.486 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN([C@H](C)C(=O)N2CCN(c3ccccc3O)CC2)CC1 ZINC000761028862 1072254844 /nfs/dbraw/zinc/25/48/44/1072254844.db2.gz KXLPEHRTOKJZLZ-QGZVFWFLSA-N 0 0 435.550 -0.486 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(CC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 ZINC000761029957 1072254908 /nfs/dbraw/zinc/25/49/08/1072254908.db2.gz ADCUNFXRBRDVCD-UHFFFAOYSA-N 0 0 437.566 -0.134 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(Cc2nc3c(c(=O)[nH]c(=O)n3CCCC)n2C)CC1 ZINC000761029988 1072254748 /nfs/dbraw/zinc/25/47/48/1072254748.db2.gz BQAHLQXKZMVPRU-UHFFFAOYSA-N 0 0 437.526 -0.779 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN([C@@H](C)C(=O)N2CCN(C(=O)c3ccco3)CC2)CC1 ZINC000761030024 1072254731 /nfs/dbraw/zinc/25/47/31/1072254731.db2.gz DECSXBOUIDLHEZ-INIZCTEOSA-N 0 0 437.522 -0.962 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN([C@H](C)C(=O)N2CCN(C(=O)c3ccco3)CC2)CC1 ZINC000761030025 1072254760 /nfs/dbraw/zinc/25/47/60/1072254760.db2.gz DECSXBOUIDLHEZ-MRXNPFEDSA-N 0 0 437.522 -0.962 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(CC(=O)NCC(=O)Nc2cc(C)ccc2OC)CC1 ZINC000761030029 1072254904 /nfs/dbraw/zinc/25/49/04/1072254904.db2.gz DGQMCFUWMMBKKD-UHFFFAOYSA-N 0 0 437.522 -0.856 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(CC(=O)N2CCC(C(=O)NCCC(C)C)CC2)CC1 ZINC000761030058 1072254828 /nfs/dbraw/zinc/25/48/28/1072254828.db2.gz DZENTNNSYKCDBD-UHFFFAOYSA-N 0 0 441.598 -0.528 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(CC(=O)NCc2ccc(N3CCCC3=O)cc2)CC1 ZINC000761030401 1072254868 /nfs/dbraw/zinc/25/48/68/1072254868.db2.gz HFBMJBKHCWAUIT-UHFFFAOYSA-N 0 0 433.534 -0.485 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(Cc2nc(=O)c3c(C)c(C(=O)OC)sc3[nH]2)CC1 ZINC000761030407 1072254849 /nfs/dbraw/zinc/25/48/49/1072254849.db2.gz HKXKNJDVCZXWSG-UHFFFAOYSA-N 0 0 439.519 -0.335 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(CC(=O)NCC(=O)Nc2c(C)cc(C)cc2C)CC1 ZINC000761030440 1072254801 /nfs/dbraw/zinc/25/48/01/1072254801.db2.gz HUDZPGWWDRSWQF-UHFFFAOYSA-N 0 0 435.550 -0.248 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(CCCS(=O)(=O)c2ccc(NC(C)=O)cc2)CC1 ZINC000761031150 1072255381 /nfs/dbraw/zinc/25/53/81/1072255381.db2.gz OQYPTPNQQXIPLK-UHFFFAOYSA-N 0 0 442.563 -0.106 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN([C@@H](C)C(=O)N(C)C[C@@H]2COc3ccccc3O2)CC1 ZINC000761031724 1072254767 /nfs/dbraw/zinc/25/47/67/1072254767.db2.gz VEDDPJHBPXJMTQ-DLBZAZTESA-N 0 0 436.534 -0.242 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN([C@H](C)C(=O)N(C)C[C@@H]2COc3ccccc3O2)CC1 ZINC000761031729 1072254897 /nfs/dbraw/zinc/25/48/97/1072254897.db2.gz VEDDPJHBPXJMTQ-IAGOWNOFSA-N 0 0 436.534 -0.242 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN([C@@H](C)C(=O)N(C)C[C@H]2COc3ccccc3O2)CC1 ZINC000761031730 1072254915 /nfs/dbraw/zinc/25/49/15/1072254915.db2.gz VEDDPJHBPXJMTQ-IRXDYDNUSA-N 0 0 436.534 -0.242 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN([C@H](C)C(=O)N(C)C[C@H]2COc3ccccc3O2)CC1 ZINC000761031732 1072254836 /nfs/dbraw/zinc/25/48/36/1072254836.db2.gz VEDDPJHBPXJMTQ-SJORKVTESA-N 0 0 436.534 -0.242 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(CC(=O)NCc2ccccc2Cn2cccn2)CC1 ZINC000761031774 1072254920 /nfs/dbraw/zinc/25/49/20/1072254920.db2.gz CIFYPASFWQECSS-UHFFFAOYSA-N 0 0 430.534 -0.367 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(CC(=O)N(C)CC(=O)Nc2ccccc2Cl)CC1 ZINC000761031775 1072254883 /nfs/dbraw/zinc/25/48/83/1072254883.db2.gz CKWIKOCKRKUEAS-UHFFFAOYSA-N 0 0 441.941 -0.178 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(CC(=O)Nc2cc(-n3cnnn3)ccc2Cl)CC1 ZINC000761031909 1072255375 /nfs/dbraw/zinc/25/53/75/1072255375.db2.gz DZJVFZHWBATCHT-UHFFFAOYSA-N 0 0 438.901 -0.661 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(CC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)CC1 ZINC000761031961 1072255474 /nfs/dbraw/zinc/25/54/74/1072255474.db2.gz FOEOUBMPNUQCFQ-UHFFFAOYSA-N 0 0 448.954 -0.233 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(CC(=O)N(CCC(N)=O)c2ccc(F)cc2)CC1 ZINC000761032152 1072255913 /nfs/dbraw/zinc/25/59/13/1072255913.db2.gz FZECJAWVQOWVKO-UHFFFAOYSA-N 0 0 425.486 -0.881 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C[C@H](O)COc2ccc(C(=O)OC)cc2OC)CC1 ZINC000761032175 1072255921 /nfs/dbraw/zinc/25/59/21/1072255921.db2.gz GFLOWWOXHDVRFE-INIZCTEOSA-N 0 0 441.506 -0.693 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C[C@@H](O)COc2ccc(C(=O)OC)cc2OC)CC1 ZINC000761032178 1072255327 /nfs/dbraw/zinc/25/53/27/1072255327.db2.gz GFLOWWOXHDVRFE-MRXNPFEDSA-N 0 0 441.506 -0.693 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(CC(=O)N2CCN(Cc3cccc(C)c3)CC2)CC1 ZINC000761032511 1072255348 /nfs/dbraw/zinc/25/53/48/1072255348.db2.gz JCOZWNDMAVDMJM-UHFFFAOYSA-N 0 0 433.578 -0.276 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN([C@@H](C)C(=O)Nc2ccccc2S(C)(=O)=O)CC1 ZINC000761032522 1072255442 /nfs/dbraw/zinc/25/54/42/1072255442.db2.gz JILPPKOFDUFXLD-AWEZNQCLSA-N 0 0 428.536 -0.498 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN([C@H](C)C(=O)Nc2ccccc2S(C)(=O)=O)CC1 ZINC000761032523 1072255390 /nfs/dbraw/zinc/25/53/90/1072255390.db2.gz JILPPKOFDUFXLD-CQSZACIVSA-N 0 0 428.536 -0.498 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(CC(=O)NCc2cc(OC)c(OC)c(OC)c2)CC1 ZINC000761032531 1072255341 /nfs/dbraw/zinc/25/53/41/1072255341.db2.gz JNVCTDGIBFAEBL-UHFFFAOYSA-N 0 0 440.522 -0.586 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)CC1 ZINC000761032563 1072255413 /nfs/dbraw/zinc/25/54/13/1072255413.db2.gz KNMSXNIDNSXWQG-UHFFFAOYSA-N 0 0 435.550 -0.571 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(CC(=O)Nc2ccccc2SCC(N)=O)CC1 ZINC000761032770 1072255311 /nfs/dbraw/zinc/25/53/11/1072255311.db2.gz NGFLJKCKMKQQAP-UHFFFAOYSA-N 0 0 425.536 -0.712 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(CC(=O)N2CCN(Cc3ccsc3)CC2)CC1 ZINC000761032823 1072254779 /nfs/dbraw/zinc/25/47/79/1072254779.db2.gz NVLXOPRPPXNAHA-UHFFFAOYSA-N 0 0 425.580 -0.523 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(CC(=O)NCC(=O)N[C@@H](C)c2ccc(F)cc2)CC1 ZINC000761032856 1072255934 /nfs/dbraw/zinc/25/59/34/1072255934.db2.gz OSKJJHHHNNMRQM-HNNXBMFYSA-N 0 0 439.513 -0.796 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(CC(=O)NCC(=O)N[C@H](C)c2ccc(F)cc2)CC1 ZINC000761032857 1072255776 /nfs/dbraw/zinc/25/57/76/1072255776.db2.gz OSKJJHHHNNMRQM-OAHLLOKOSA-N 0 0 439.513 -0.796 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(CC(=O)Nc2cc(C)nn2-c2nc(C)cc(C)n2)CC1 ZINC000761032929 1072255767 /nfs/dbraw/zinc/25/57/67/1072255767.db2.gz OZGIAUSHSDYYGY-UHFFFAOYSA-N 0 0 446.537 -0.389 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(Cc2nnc3n2c2ccccc2c(=O)n3CC)CC1 ZINC000761033104 1072255463 /nfs/dbraw/zinc/25/54/63/1072255463.db2.gz QXSPWYRQRJMKEK-UHFFFAOYSA-N 0 0 429.506 -0.351 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(CC(=O)Nc2cc(S(C)(=O)=O)ccc2F)CC1 ZINC000761033141 1072255431 /nfs/dbraw/zinc/25/54/31/1072255431.db2.gz RTEUQKWGLMMBTI-UHFFFAOYSA-N 0 0 432.499 -0.747 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(CC(=O)N2CCc3cc(OC)c(OC)cc3C2)CC1 ZINC000761033154 1072255843 /nfs/dbraw/zinc/25/58/43/1072255843.db2.gz SKEQRHLHFAZWBK-UHFFFAOYSA-N 0 0 436.534 -0.326 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(CC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000761033341 1072255406 /nfs/dbraw/zinc/25/54/06/1072255406.db2.gz VCPJQMFVEAHLMY-KRWDZBQOSA-N 0 0 446.595 -0.970 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(CC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000761033342 1072255435 /nfs/dbraw/zinc/25/54/35/1072255435.db2.gz VCPJQMFVEAHLMY-QGZVFWFLSA-N 0 0 446.595 -0.970 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN([C@@H](C)C(=O)NCCc2ccc(OC)c(OC)c2)CC1 ZINC000761033343 1072255366 /nfs/dbraw/zinc/25/53/66/1072255366.db2.gz VCXKDVJQIKSNCM-INIZCTEOSA-N 0 0 438.550 -0.164 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN([C@H](C)C(=O)NCCc2ccc(OC)c(OC)c2)CC1 ZINC000761033344 1072255479 /nfs/dbraw/zinc/25/54/79/1072255479.db2.gz VCXKDVJQIKSNCM-MRXNPFEDSA-N 0 0 438.550 -0.164 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(CC(=O)Nc2cc(S(N)(=O)=O)ccc2Cl)CC1 ZINC000761033348 1072255467 /nfs/dbraw/zinc/25/54/67/1072255467.db2.gz VIXDWOQWAABNFE-UHFFFAOYSA-N 0 0 449.942 -0.989 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(CC(=O)NCc2ccc(C(=O)N3CCCC3)cc2)CC1 ZINC000761033366 1072255396 /nfs/dbraw/zinc/25/53/96/1072255396.db2.gz VVVHXCRONQOZCO-UHFFFAOYSA-N 0 0 447.561 -0.376 20 30 IBEDRN N#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000761033550 1072255422 /nfs/dbraw/zinc/25/54/22/1072255422.db2.gz GAZGCKIZFPFNBV-UHFFFAOYSA-N 0 0 447.423 -0.804 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(CC(=O)NCc2ccccc2CN2CCCC2=O)CC1 ZINC000761035539 1072255820 /nfs/dbraw/zinc/25/58/20/1072255820.db2.gz AJAXKIHMSDRNKA-UHFFFAOYSA-N 0 0 447.561 -0.490 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(CC(=O)NCC2(c3ccccc3)CCOCC2)CC1 ZINC000761035632 1072255906 /nfs/dbraw/zinc/25/59/06/1072255906.db2.gz BNSWNVLVCDYKDN-UHFFFAOYSA-N 0 0 434.562 -0.064 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(CC(=O)NCCc2cnn(-c3ccccc3)c2)CC1 ZINC000761035722 1072256954 /nfs/dbraw/zinc/25/69/54/1072256954.db2.gz CKDQEBPLUCDUCZ-UHFFFAOYSA-N 0 0 430.534 -0.384 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(CC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)CC1 ZINC000761036145 1072256978 /nfs/dbraw/zinc/25/69/78/1072256978.db2.gz BDZYEYTVDLUQJL-UHFFFAOYSA-N 0 0 437.478 -0.809 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)OC)CC1 ZINC000761036219 1072256902 /nfs/dbraw/zinc/25/69/02/1072256902.db2.gz FCQLZHHMNUYDTC-GOSISDBHSA-N 0 0 434.518 -0.802 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(CC(=O)N2Cc3ccccc3C[C@H]2C(=O)OC)CC1 ZINC000761036233 1072256983 /nfs/dbraw/zinc/25/69/83/1072256983.db2.gz FCQLZHHMNUYDTC-SFHVURJKSA-N 0 0 434.518 -0.802 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(CC(=O)N2CCN(Cc3cccs3)CC2)CC1 ZINC000761036324 1072256884 /nfs/dbraw/zinc/25/68/84/1072256884.db2.gz FTBQNIFTBJCRPN-UHFFFAOYSA-N 0 0 425.580 -0.523 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(CC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)CC1 ZINC000761036531 1072256938 /nfs/dbraw/zinc/25/69/38/1072256938.db2.gz HFJRQURVBRHQSZ-UHFFFAOYSA-N 0 0 447.561 -0.051 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(CC(=O)Nc2cc(-n3nnnc3C)ccc2F)CC1 ZINC000761036733 1072256866 /nfs/dbraw/zinc/25/68/66/1072256866.db2.gz IGIQCEKTZJTTBC-UHFFFAOYSA-N 0 0 436.473 -0.866 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(CC(=O)N2CCC(C(=O)N(C)C(C)C)CC2)CC1 ZINC000761036755 1072256920 /nfs/dbraw/zinc/25/69/20/1072256920.db2.gz ISKLBIPYCNRFCH-UHFFFAOYSA-N 0 0 427.571 -0.823 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(CC(=O)NCC(=O)Nc2ccc(F)c(F)c2)CC1 ZINC000761036826 1072257003 /nfs/dbraw/zinc/25/70/03/1072257003.db2.gz KYWFRQDPFOKVNK-UHFFFAOYSA-N 0 0 429.449 -0.895 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN([C@@H](C)C(=O)NCC(=O)Nc2c(C)cccc2C)CC1 ZINC000761036850 1072257008 /nfs/dbraw/zinc/25/70/08/1072257008.db2.gz FOOUKEDJLWDWPG-KRWDZBQOSA-N 0 0 435.550 -0.168 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN([C@H](C)C(=O)NCC(=O)Nc2c(C)cccc2C)CC1 ZINC000761036851 1072256989 /nfs/dbraw/zinc/25/69/89/1072256989.db2.gz FOOUKEDJLWDWPG-QGZVFWFLSA-N 0 0 435.550 -0.168 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(CC(=O)N2CCN(C(=O)c3cccs3)CC2)CC1 ZINC000761036852 1072257013 /nfs/dbraw/zinc/25/70/13/1072257013.db2.gz FQCIOBFCGUAVMQ-UHFFFAOYSA-N 0 0 439.563 -0.882 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(CC(=O)NCc2ccccc2CN2CCOCC2)CC1 ZINC000761036874 1072258077 /nfs/dbraw/zinc/25/80/77/1072258077.db2.gz GHTSLIJOMGOOCW-UHFFFAOYSA-N 0 0 449.577 -0.780 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(CC(=O)Nc2ccc(CN3CCOCC3)cc2)CC1 ZINC000761036906 1072257351 /nfs/dbraw/zinc/25/73/51/1072257351.db2.gz HUUCMAQBDZFJQM-UHFFFAOYSA-N 0 0 435.550 -0.458 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(CC(=O)NCC(=O)Nc2cccc(Cl)c2C)CC1 ZINC000761036935 1072257447 /nfs/dbraw/zinc/25/74/47/1072257447.db2.gz ILXHKHHWKJKMCK-UHFFFAOYSA-N 0 0 441.941 -0.212 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(CC(=O)Nc2sc3c(c2C(N)=O)CCCC3)CC1 ZINC000761037209 1072257518 /nfs/dbraw/zinc/25/75/18/1072257518.db2.gz NCCFQVQMAHVXGR-UHFFFAOYSA-N 0 0 439.563 -0.251 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(CC(=O)N2CCN(Cc3ccccc3C)CC2)CC1 ZINC000761037288 1072257498 /nfs/dbraw/zinc/25/74/98/1072257498.db2.gz OMMBTYHEODDMDL-UHFFFAOYSA-N 0 0 433.578 -0.276 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000761037337 1072257334 /nfs/dbraw/zinc/25/73/34/1072257334.db2.gz PFQRRJDVFQOVQZ-UHFFFAOYSA-N 0 0 425.423 -0.653 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(CC(=O)NCc2c(OC)cc(OC)cc2OC)CC1 ZINC000761037948 1072258493 /nfs/dbraw/zinc/25/84/93/1072258493.db2.gz QXXBCDMFUIGXSW-UHFFFAOYSA-N 0 0 440.522 -0.586 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN([C@@H](C)C(=O)NCCc2ccc3c(c2)OCCO3)CC1 ZINC000761038012 1072258485 /nfs/dbraw/zinc/25/84/85/1072258485.db2.gz ROLUHYNRCXBUTL-INIZCTEOSA-N 0 0 436.534 -0.410 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN([C@H](C)C(=O)NCCc2ccc3c(c2)OCCO3)CC1 ZINC000761038016 1072258694 /nfs/dbraw/zinc/25/86/94/1072258694.db2.gz ROLUHYNRCXBUTL-MRXNPFEDSA-N 0 0 436.534 -0.410 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(CC(=O)NCc2cc(OC)c(OC)cc2OC)CC1 ZINC000761038071 1072258549 /nfs/dbraw/zinc/25/85/49/1072258549.db2.gz SAGNUVCZAMXBAK-UHFFFAOYSA-N 0 0 440.522 -0.586 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN([C@H]2CCN(c3sccc3C(=O)OC)C2=O)CC1 ZINC000761038140 1072258584 /nfs/dbraw/zinc/25/85/84/1072258584.db2.gz TUKGOFYOCPZKMH-AWEZNQCLSA-N 0 0 426.520 -0.275 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN([C@@H]2CCN(c3sccc3C(=O)OC)C2=O)CC1 ZINC000761038143 1072258555 /nfs/dbraw/zinc/25/85/55/1072258555.db2.gz TUKGOFYOCPZKMH-CQSZACIVSA-N 0 0 426.520 -0.275 20 30 IBEDRN N#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000761038152 1072258562 /nfs/dbraw/zinc/25/85/62/1072258562.db2.gz LBMAWIMTLGUPIW-UHFFFAOYSA-N 0 0 433.440 -0.330 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(CC(=O)N2CCN(C(=O)Nc3ccccc3)CC2)CC1 ZINC000761038511 1072258524 /nfs/dbraw/zinc/25/85/24/1072258524.db2.gz VTFCCQNGKIZJCU-UHFFFAOYSA-N 0 0 448.549 -0.552 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(CCC(=O)N2CCN(c3ccc(F)cc3)CC2)CC1 ZINC000761038668 1072258054 /nfs/dbraw/zinc/25/80/54/1072258054.db2.gz PUDHVEHQSZHGEJ-UHFFFAOYSA-N 0 0 437.541 -0.050 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C[C@H](O)COc2ccc(C(C)=O)cc2OC)CC1 ZINC000761038735 1072257960 /nfs/dbraw/zinc/25/79/60/1072257960.db2.gz YLTQIPFEMMFWPC-KRWDZBQOSA-N 0 0 425.507 -0.277 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C[C@@H](O)COc2ccc(C(C)=O)cc2OC)CC1 ZINC000761038736 1072257872 /nfs/dbraw/zinc/25/78/72/1072257872.db2.gz YLTQIPFEMMFWPC-QGZVFWFLSA-N 0 0 425.507 -0.277 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(CC(=O)N=c2cc[nH]n2Cc2cccc(C)c2)CC1 ZINC000761038873 1072257851 /nfs/dbraw/zinc/25/78/51/1072257851.db2.gz ZQHRZCVURGTWJW-UHFFFAOYSA-N 0 0 430.534 -0.315 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(CCOc2ccc(S(=O)(=O)N(C)C)cc2)CC1 ZINC000761039657 1072258532 /nfs/dbraw/zinc/25/85/32/1072258532.db2.gz XQVHZPHAQJVRCK-UHFFFAOYSA-N 0 0 430.552 -0.599 20 30 IBEDRN N#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC000761048760 1072260971 /nfs/dbraw/zinc/26/09/71/1072260971.db2.gz PRQQNDRDUDPPJT-UHFFFAOYSA-N 0 0 445.407 -0.514 20 30 IBEDRN CS(=O)(=O)N1CCN(CCNC(=O)C(=O)Nc2ccc(F)cc2OCC#N)CC1 ZINC000761117336 1072269646 /nfs/dbraw/zinc/26/96/46/1072269646.db2.gz AKHIQVVPODBVEN-UHFFFAOYSA-N 0 0 427.458 -0.640 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)Nc2cc(-n3nnnc3C)ccc2F)C1=O ZINC000761133322 1072271324 /nfs/dbraw/zinc/27/13/24/1072271324.db2.gz GGWSASBATSOASZ-UHFFFAOYSA-N 0 0 445.367 -0.432 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)Nc2cc(-n3cnnn3)ccc2F)C1=O ZINC000761133736 1072271434 /nfs/dbraw/zinc/27/14/34/1072271434.db2.gz KRORTUSTZWQDFQ-UHFFFAOYSA-N 0 0 431.340 -0.740 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)Nc2cc(-n3cnnn3)ccc2Cl)C1=O ZINC000761133799 1072271527 /nfs/dbraw/zinc/27/15/27/1072271527.db2.gz LKEHKZNQBJRKDI-UHFFFAOYSA-N 0 0 447.795 -0.226 20 30 IBEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)[C@H]2CCNC(=O)C2)CC1 ZINC000761211842 1072274976 /nfs/dbraw/zinc/27/49/76/1072274976.db2.gz JGJQUZVDIGCIRU-AWEZNQCLSA-N 0 0 434.474 -0.539 20 30 IBEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)[C@@H]2CCNC(=O)C2)CC1 ZINC000761211845 1072275005 /nfs/dbraw/zinc/27/50/05/1072275005.db2.gz JGJQUZVDIGCIRU-CQSZACIVSA-N 0 0 434.474 -0.539 20 30 IBEDRN O=C(C#Cc1ccc2c(c1)OCO2)OCC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000761227367 1072281486 /nfs/dbraw/zinc/28/14/86/1072281486.db2.gz POQDAZVCRZBQHQ-INIZCTEOSA-N 0 0 434.470 -0.359 20 30 IBEDRN O=C(C#Cc1ccc2c(c1)OCO2)OCC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000761227368 1072281901 /nfs/dbraw/zinc/28/19/01/1072281901.db2.gz POQDAZVCRZBQHQ-MRXNPFEDSA-N 0 0 434.470 -0.359 20 30 IBEDRN C=CCN1C(=O)C(=O)N(Cc2nc(CN3C(=O)c4ccccc4S3(=O)=O)no2)C1=O ZINC000761366203 1072314209 /nfs/dbraw/zinc/31/42/09/1072314209.db2.gz FTYKHRFSOIAMAF-UHFFFAOYSA-N 0 0 431.386 -0.109 20 30 IBEDRN COC(=O)N[C@@H](C)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000761524737 1072604740 /nfs/dbraw/zinc/60/47/40/1072604740.db2.gz PVXOMXDRUKQGJL-ZDUSSCGKSA-N 0 0 438.462 -0.321 20 30 IBEDRN C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)c1 ZINC000761736317 1072646152 /nfs/dbraw/zinc/64/61/52/1072646152.db2.gz QIGUJHSYNBIZAG-INIZCTEOSA-N 0 0 425.532 -0.457 20 30 IBEDRN C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c1 ZINC000761736318 1072646055 /nfs/dbraw/zinc/64/60/55/1072646055.db2.gz QIGUJHSYNBIZAG-MRXNPFEDSA-N 0 0 425.532 -0.457 20 30 IBEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(C)cn3)c(=O)n2CCOC)CC1 ZINC000761837614 1072663990 /nfs/dbraw/zinc/66/39/90/1072663990.db2.gz ZQPQQHIYWIFNQR-UHFFFAOYSA-N 0 0 441.557 -0.073 20 30 IBEDRN Cc1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CCS(C)(=O)=O)c2=O)nc1 ZINC000761853961 1072668317 /nfs/dbraw/zinc/66/83/17/1072668317.db2.gz CYOLTDRDBQKAKJ-UHFFFAOYSA-N 0 0 446.554 -0.217 20 30 IBEDRN Cc1ccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CCS(C)(=O)=O)c2=O)nc1 ZINC000761854380 1072668326 /nfs/dbraw/zinc/66/83/26/1072668326.db2.gz IDHIWGDROZTONY-UHFFFAOYSA-N 0 0 448.570 -0.067 20 30 IBEDRN Cc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCS(C)(=O)=O)c2=O)nc1 ZINC000761854928 1072668359 /nfs/dbraw/zinc/66/83/59/1072668359.db2.gz JTJCGLWYVUFWPS-UHFFFAOYSA-N 0 0 432.527 -0.561 20 30 IBEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cn2)c(=O)n1CCS(C)(=O)=O ZINC000761854929 1072668354 /nfs/dbraw/zinc/66/83/54/1072668354.db2.gz JVFDJOJHUQOCIA-UHFFFAOYSA-N 0 0 434.543 -0.313 20 30 IBEDRN Cc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CCS(C)(=O)=O)c2=O)nc1 ZINC000761854962 1072668338 /nfs/dbraw/zinc/66/83/38/1072668338.db2.gz LDVLEKIJFXFTAN-UHFFFAOYSA-N 0 0 434.543 -0.315 20 30 IBEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cn2)c(=O)n1CCS(C)(=O)=O ZINC000761855626 1072668347 /nfs/dbraw/zinc/66/83/47/1072668347.db2.gz PXFLZTWENNKIEH-UHFFFAOYSA-N 0 0 432.527 -0.537 20 30 IBEDRN NC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)C#Cc3ccc4c(c3)OCO4)CC2)o1 ZINC000761936574 1072669739 /nfs/dbraw/zinc/66/97/39/1072669739.db2.gz YCAMBBIPTBYKRY-UHFFFAOYSA-N 0 0 431.426 -0.008 20 30 IBEDRN O=C(C#Cc1ccc2c(c1)OCO2)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000761974302 1072670212 /nfs/dbraw/zinc/67/02/12/1072670212.db2.gz VDTQWTJPDPSKEP-HNNXBMFYSA-N 0 0 440.499 -0.572 20 30 IBEDRN O=C(C#Cc1ccc2c(c1)OCO2)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000761974307 1072670155 /nfs/dbraw/zinc/67/01/55/1072670155.db2.gz VDTQWTJPDPSKEP-OAHLLOKOSA-N 0 0 440.499 -0.572 20 30 IBEDRN O=C(CN1CCN(C(=O)C#Cc2ccc3c(c2)OCO3)CC1)N[C@H]1CCS(=O)(=O)C1 ZINC000762224841 1072682777 /nfs/dbraw/zinc/68/27/77/1072682777.db2.gz ZWGYVCSKYWEEPV-INIZCTEOSA-N 0 0 433.486 -0.786 20 30 IBEDRN O=C(CN1CCN(C(=O)C#Cc2ccc3c(c2)OCO3)CC1)N[C@@H]1CCS(=O)(=O)C1 ZINC000762224843 1072682835 /nfs/dbraw/zinc/68/28/35/1072682835.db2.gz ZWGYVCSKYWEEPV-MRXNPFEDSA-N 0 0 433.486 -0.786 20 30 IBEDRN C[C@@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)cn2)C[C@H](C)O1 ZINC000762447539 1072690351 /nfs/dbraw/zinc/69/03/51/1072690351.db2.gz XBOWDMHDOGRRTA-DAYGRLMNSA-N 0 0 443.508 -0.344 20 30 IBEDRN C[C@@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)N3CCN(C4CC4)[C@H](C#N)C3)cn2)C[C@@H](C)O1 ZINC000762447541 1072690457 /nfs/dbraw/zinc/69/04/57/1072690457.db2.gz XBOWDMHDOGRRTA-IIDMSEBBSA-N 0 0 443.508 -0.344 20 30 IBEDRN C[C@@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)cn2)C[C@@H](C)O1 ZINC000762447542 1072690397 /nfs/dbraw/zinc/69/03/97/1072690397.db2.gz XBOWDMHDOGRRTA-RKVPGOIHSA-N 0 0 443.508 -0.344 20 30 IBEDRN C[C@@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)N3CCN(C4CC4)[C@H](C#N)C3)cn2)C[C@H](C)O1 ZINC000762447543 1072690460 /nfs/dbraw/zinc/69/04/60/1072690460.db2.gz XBOWDMHDOGRRTA-RVKKMQEKSA-N 0 0 443.508 -0.344 20 30 IBEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC[C@H](n3cc(C(=O)OC)nn3)C2)c1=O ZINC000762460471 1072691323 /nfs/dbraw/zinc/69/13/23/1072691323.db2.gz MIYPOSSYTXLBFY-AWEZNQCLSA-N 0 0 431.453 -0.784 20 30 IBEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC[C@@H](n3cc(C(=O)OC)nn3)C2)c1=O ZINC000762460474 1072691303 /nfs/dbraw/zinc/69/13/03/1072691303.db2.gz MIYPOSSYTXLBFY-CQSZACIVSA-N 0 0 431.453 -0.784 20 30 IBEDRN CCn1ccc(=O)n(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1=O ZINC000762488018 1072693041 /nfs/dbraw/zinc/69/30/41/1072693041.db2.gz HLFUSMMARFSETJ-UHFFFAOYSA-N 0 0 431.474 -0.565 20 30 IBEDRN COC(=O)c1cn([C@@H]2CCCN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)C2)nn1 ZINC000762607177 1072696647 /nfs/dbraw/zinc/69/66/47/1072696647.db2.gz VPXSEINOBCJTPO-GFCCVEGCSA-N 0 0 432.462 -0.033 20 30 IBEDRN COC(=O)c1cn([C@H]2CCCN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)C2)nn1 ZINC000762607178 1072696609 /nfs/dbraw/zinc/69/66/09/1072696609.db2.gz VPXSEINOBCJTPO-LBPRGKRZSA-N 0 0 432.462 -0.033 20 30 IBEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)NCc2ccc(N3CCCC3=O)cc2)c1=O ZINC000762618800 1072697241 /nfs/dbraw/zinc/69/72/41/1072697241.db2.gz HSHCLQZIPIDLRU-UHFFFAOYSA-N 0 0 439.472 -0.013 20 30 IBEDRN CN(CCCNC(=O)CON=C1C(=O)Nc2cc3c(cc21)OCCO3)S(C)(=O)=O ZINC000762672902 1072701031 /nfs/dbraw/zinc/70/10/31/1072701031.db2.gz ZUMUVBBDGCHDES-UHFFFAOYSA-N 0 0 426.451 -0.472 20 30 IBEDRN CN(CCCNC(=O)CON=C(N)c1ccc(CN2CCOCC2)cc1)S(C)(=O)=O ZINC000762724265 1072703486 /nfs/dbraw/zinc/70/34/86/1072703486.db2.gz GOUVHTVMHFUTCZ-UHFFFAOYSA-N 0 0 441.554 -0.447 20 30 IBEDRN CC(C)N(CCCNC(=O)CON=C(N)c1ccc(S(C)(=O)=O)cc1)S(C)(=O)=O ZINC000762738232 1072704832 /nfs/dbraw/zinc/70/48/32/1072704832.db2.gz NVCHCIGWYUPCPK-UHFFFAOYSA-N 0 0 448.567 -0.097 20 30 IBEDRN C#CCN(C(=O)[C@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000763028268 1072716520 /nfs/dbraw/zinc/71/65/20/1072716520.db2.gz GPQGSKKNECTGOO-GXTWGEPZSA-N 0 0 427.504 -0.899 20 30 IBEDRN C#CCN(C(=O)[C@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000763028273 1072716551 /nfs/dbraw/zinc/71/65/51/1072716551.db2.gz GPQGSKKNECTGOO-JSGCOSHPSA-N 0 0 427.504 -0.899 20 30 IBEDRN C#CCN(C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000763028278 1072716617 /nfs/dbraw/zinc/71/66/17/1072716617.db2.gz GPQGSKKNECTGOO-OCCSQVGLSA-N 0 0 427.504 -0.899 20 30 IBEDRN C#CCN(C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000763028281 1072716696 /nfs/dbraw/zinc/71/66/96/1072716696.db2.gz GPQGSKKNECTGOO-TZMCWYRMSA-N 0 0 427.504 -0.899 20 30 IBEDRN CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N2CC[C@@H](NC(N)=O)C2)c1 ZINC000763159818 1072719786 /nfs/dbraw/zinc/71/97/86/1072719786.db2.gz ZNTBZSNHJDTATL-JZZHWFMQSA-N 0 0 436.494 -0.293 20 30 IBEDRN CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2CC[C@H](NC(N)=O)C2)c1 ZINC000763159819 1072719944 /nfs/dbraw/zinc/71/99/44/1072719944.db2.gz ZNTBZSNHJDTATL-KNKKCGMZSA-N 0 0 436.494 -0.293 20 30 IBEDRN CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N2CC[C@H](NC(N)=O)C2)c1 ZINC000763159820 1072720041 /nfs/dbraw/zinc/72/00/41/1072720041.db2.gz ZNTBZSNHJDTATL-NHEFTAMWSA-N 0 0 436.494 -0.293 20 30 IBEDRN CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2CC[C@@H](NC(N)=O)C2)c1 ZINC000763159821 1072719954 /nfs/dbraw/zinc/71/99/54/1072719954.db2.gz ZNTBZSNHJDTATL-ZGIZLIOWSA-N 0 0 436.494 -0.293 20 30 IBEDRN CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@@H](NC(N)=O)C2)cc1 ZINC000763163581 1072720510 /nfs/dbraw/zinc/72/05/10/1072720510.db2.gz JVDFBSOFHZTJEK-JZZHWFMQSA-N 0 0 436.494 -0.293 20 30 IBEDRN CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@H](NC(N)=O)C2)cc1 ZINC000763163585 1072720420 /nfs/dbraw/zinc/72/04/20/1072720420.db2.gz JVDFBSOFHZTJEK-KNKKCGMZSA-N 0 0 436.494 -0.293 20 30 IBEDRN CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@H](NC(N)=O)C2)cc1 ZINC000763163588 1072720522 /nfs/dbraw/zinc/72/05/22/1072720522.db2.gz JVDFBSOFHZTJEK-NHEFTAMWSA-N 0 0 436.494 -0.293 20 30 IBEDRN CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@@H](NC(N)=O)C2)cc1 ZINC000763163593 1072720359 /nfs/dbraw/zinc/72/03/59/1072720359.db2.gz JVDFBSOFHZTJEK-ZGIZLIOWSA-N 0 0 436.494 -0.293 20 30 IBEDRN COC(=O)c1cc(C=c2sc(=C(C#N)C#N)n(CCN3CCOCC3)c2=O)oc1C ZINC000763249848 1072722402 /nfs/dbraw/zinc/72/24/02/1072722402.db2.gz BXQCLAZLXGHQSB-UHFFFAOYSA-N 0 0 428.470 -0.043 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cc(C(=O)OC)c(C)o2)c(=O)n1CCOC ZINC000763251503 1072722883 /nfs/dbraw/zinc/72/28/83/1072722883.db2.gz ZHKNRIXFRARFDJ-UHFFFAOYSA-N 0 0 449.485 -0.490 20 30 IBEDRN CCOc1cccc(C=c2sc(=C(C#N)C(=O)NCCOC)n(CCOC)c2=O)n1 ZINC000763298712 1072722980 /nfs/dbraw/zinc/72/29/80/1072722980.db2.gz DSDPJSDKYBVAEO-UHFFFAOYSA-N 0 0 432.502 -0.384 20 30 IBEDRN CCOc1cccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CCOC)c2=O)n1 ZINC000763300381 1072722791 /nfs/dbraw/zinc/72/27/91/1072722791.db2.gz IVGVDFKOPSXWQM-UHFFFAOYSA-N 0 0 444.513 -0.288 20 30 IBEDRN COCCn1c(=O)c(=Cc2ccc(OC)s2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000763302890 1072723509 /nfs/dbraw/zinc/72/35/09/1072723509.db2.gz VZBJHWODBCXCHC-UHFFFAOYSA-N 0 0 435.527 -0.012 20 30 IBEDRN C#CCNS(=O)(=O)c1ccc(-c2nc(CCN3CCN(CC)C(=O)C3=O)no2)cc1 ZINC000763311452 1072723542 /nfs/dbraw/zinc/72/35/42/1072723542.db2.gz JIIPTVAFNLIMQU-UHFFFAOYSA-N 0 0 431.474 -0.119 20 30 IBEDRN C#CCNS(=O)(=O)c1cccc(-c2nc(CCN3CCN(CC)C(=O)C3=O)no2)c1 ZINC000763311512 1072723426 /nfs/dbraw/zinc/72/34/26/1072723426.db2.gz KMFZSDZSIVVXJL-UHFFFAOYSA-N 0 0 431.474 -0.119 20 30 IBEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OCC)n2)c(=O)n1CC(=O)N(C)C ZINC000763312183 1072723472 /nfs/dbraw/zinc/72/34/72/1072723472.db2.gz JOASYIMWWVKWMJ-UHFFFAOYSA-N 0 0 441.513 -0.403 20 30 IBEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)s2)c(=O)n1CC(=O)N(C)C ZINC000763312288 1072723413 /nfs/dbraw/zinc/72/34/13/1072723413.db2.gz LJDLETHIEMZGCY-UHFFFAOYSA-N 0 0 432.527 -0.127 20 30 IBEDRN CCN1CCN(CCc2noc(C/N=C3/NS(=O)(=O)c4ccccc43)n2)C(=O)C1=O ZINC000763314420 1072723515 /nfs/dbraw/zinc/72/35/15/1072723515.db2.gz ZMTZQBMSMMHUAE-UHFFFAOYSA-N 0 0 432.462 -0.459 20 30 IBEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(S(C)(=O)=O)c3ccccc3C2)c1=O ZINC000763326137 1072723891 /nfs/dbraw/zinc/72/38/91/1072723891.db2.gz GXGJCSNNPHJVFM-UHFFFAOYSA-N 0 0 447.517 -0.217 20 30 IBEDRN C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc3c(c2)S(=O)(=O)CC3)CC1 ZINC000763329239 1072724013 /nfs/dbraw/zinc/72/40/13/1072724013.db2.gz TUEVDTQVIIZSAQ-UHFFFAOYSA-N 0 0 425.532 -0.538 20 30 IBEDRN C#CCNC(=O)CN1CCCN(S(=O)(=O)CCNS(=O)(=O)c2ccccc2)CC1 ZINC000763329313 1072724033 /nfs/dbraw/zinc/72/40/33/1072724033.db2.gz WSIZJTTWRICINC-UHFFFAOYSA-N 0 0 442.563 -0.948 20 30 IBEDRN C#CCNS(=O)(=O)c1cccc(-c2nc(CCN(C)S(=O)(=O)N(C)C)no2)c1 ZINC000763351235 1072726502 /nfs/dbraw/zinc/72/65/02/1072726502.db2.gz HRWYKSFWUYTQQT-UHFFFAOYSA-N 0 0 427.508 -0.071 20 30 IBEDRN C#CCNS(=O)(=O)c1ccc(-c2nc(CCN(C)S(=O)(=O)N(C)C)no2)cc1 ZINC000763353244 1072727976 /nfs/dbraw/zinc/72/79/76/1072727976.db2.gz YOEVRMBHAKNBGW-UHFFFAOYSA-N 0 0 427.508 -0.071 20 30 IBEDRN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCCS(=O)(=O)N1CCOCC1 ZINC000763394817 1072741347 /nfs/dbraw/zinc/74/13/47/1072741347.db2.gz ZWEGNLWYDYHZGX-UHFFFAOYSA-N 0 0 447.477 -0.836 20 30 IBEDRN C=CCn1c(=O)c(=Cc2ccn(C)c2)sc1=C(C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000763432658 1072857117 /nfs/dbraw/zinc/85/71/17/1072857117.db2.gz HZTXUVUFYMHQMJ-UHFFFAOYSA-N 0 0 432.527 -0.806 20 30 IBEDRN C=CCn1c(=O)c(=Cc2ccn(C)c2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000763433677 1072865643 /nfs/dbraw/zinc/86/56/43/1072865643.db2.gz MXOVHOVZZUDEOW-UHFFFAOYSA-N 0 0 427.530 -0.614 20 30 IBEDRN CCCn1c(=O)c(=Cc2ccn(C)c2)sc1=C(C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000763433802 1072867969 /nfs/dbraw/zinc/86/79/69/1072867969.db2.gz FBYSOHUULOSEDC-UHFFFAOYSA-N 0 0 434.543 -0.582 20 30 IBEDRN CCCn1c(=O)c(=Cc2ccn(C)c2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000763433870 1072867944 /nfs/dbraw/zinc/86/79/44/1072867944.db2.gz FZMPNNKQCUHZJC-UHFFFAOYSA-N 0 0 429.546 -0.390 20 30 IBEDRN CC(C)Cn1c(=O)c(=Cc2ccn(C)c2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000763434694 1072877391 /nfs/dbraw/zinc/87/73/91/1072877391.db2.gz KKAFHIOJNUVTLM-UHFFFAOYSA-N 0 0 443.573 -0.144 20 30 IBEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1CCN1CCOCC1 ZINC000763435635 1072882884 /nfs/dbraw/zinc/88/28/84/1072882884.db2.gz CHXXKQYUODQRLW-UHFFFAOYSA-N 0 0 429.546 -0.392 20 30 IBEDRN CC(C)Cn1c(=O)c(=Cc2ccn(C)c2)sc1=C(C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000763435762 1072882365 /nfs/dbraw/zinc/88/23/65/1072882365.db2.gz POFCFOPYBHMLLX-UHFFFAOYSA-N 0 0 448.570 -0.336 20 30 IBEDRN Cn1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCN3CCOCC3)c2=O)c1 ZINC000763436530 1072894756 /nfs/dbraw/zinc/89/47/56/1072894756.db2.gz HRZQXLGNGCNPCL-UHFFFAOYSA-N 0 0 427.530 -0.638 20 30 IBEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccn(C)c3)c(=O)n2CCOC)CC1 ZINC000763436647 1072892007 /nfs/dbraw/zinc/89/20/07/1072892007.db2.gz JZQMROMAQANLOX-UHFFFAOYSA-N 0 0 429.546 -0.438 20 30 IBEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1CCN1CCOCC1 ZINC000763437245 1072886352 /nfs/dbraw/zinc/88/63/52/1072886352.db2.gz NJFYUPRWFXYAJY-UHFFFAOYSA-N 0 0 443.573 0.000 20 30 IBEDRN Cn1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C[C@@H]3CCCO3)c2=O)c1 ZINC000763437637 1072897021 /nfs/dbraw/zinc/89/70/21/1072897021.db2.gz OSHRLAHMZLJCGC-INIZCTEOSA-N 0 0 428.514 -0.211 20 30 IBEDRN Cn1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C[C@H]3CCCO3)c2=O)c1 ZINC000763437645 1072897097 /nfs/dbraw/zinc/89/70/97/1072897097.db2.gz OSHRLAHMZLJCGC-MRXNPFEDSA-N 0 0 428.514 -0.211 20 30 IBEDRN CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1CCN1CCOCC1 ZINC000763438127 1072896479 /nfs/dbraw/zinc/89/64/79/1072896479.db2.gz SWCWXRJGKJGYNB-UHFFFAOYSA-N 0 0 443.573 -0.144 20 30 IBEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1CCN1CCOCC1 ZINC000763438172 1072897137 /nfs/dbraw/zinc/89/71/37/1072897137.db2.gz UBJYZBHMXGZEGM-UHFFFAOYSA-N 0 0 429.546 -0.390 20 30 IBEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1CCN1CCOCC1 ZINC000763438813 1072898507 /nfs/dbraw/zinc/89/85/07/1072898507.db2.gz YFDHJEOQDQCGJG-UHFFFAOYSA-N 0 0 427.530 -0.614 20 30 IBEDRN Cn1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CCN3CCOCC3)c2=O)c1 ZINC000763438917 1072899455 /nfs/dbraw/zinc/89/94/55/1072899455.db2.gz ZOOARMOFHNSZPL-UHFFFAOYSA-N 0 0 441.557 -0.294 20 30 IBEDRN CCCCn1c(=O)c(=Cc2ccn(C)c2)sc1=C(C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000763444737 1072926771 /nfs/dbraw/zinc/92/67/71/1072926771.db2.gz BJEMIQMWGNEAAZ-UHFFFAOYSA-N 0 0 448.570 -0.192 20 30 IBEDRN CCCCn1c(=O)c(=Cc2ccn(C)c2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000763445543 1072929667 /nfs/dbraw/zinc/92/96/67/1072929667.db2.gz IXJMBDMZBDGRRX-UHFFFAOYSA-N 0 0 443.573 0.000 20 30 IBEDRN COC(=O)CCCn1c(=O)c(=Cc2ccn(C)c2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000763446859 1072930728 /nfs/dbraw/zinc/93/07/28/1072930728.db2.gz QVHPSHCCAYEVSR-UHFFFAOYSA-N 0 0 444.513 -0.437 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1CCCC(=O)OC ZINC000763447475 1072936222 /nfs/dbraw/zinc/93/62/22/1072936222.db2.gz VHBDAMPHWFMNDH-UHFFFAOYSA-N 0 0 432.502 -0.533 20 30 IBEDRN Cn1ccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C3CC3)c2=O)c1 ZINC000763455637 1072969199 /nfs/dbraw/zinc/96/91/99/1072969199.db2.gz VSCLCQFCABKSDQ-UHFFFAOYSA-N 0 0 427.530 -0.465 20 30 IBEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCN3C(=O)OC[C@@H]3C2)CC1 ZINC000763455649 1072969179 /nfs/dbraw/zinc/96/91/79/1072969179.db2.gz IOLWTWVFZJQZDH-INIZCTEOSA-N 0 0 433.490 -0.472 20 30 IBEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCN3C(=O)OC[C@H]3C2)CC1 ZINC000763455653 1072969127 /nfs/dbraw/zinc/96/91/27/1072969127.db2.gz IOLWTWVFZJQZDH-MRXNPFEDSA-N 0 0 433.490 -0.472 20 30 IBEDRN Cn1ccc(C=c2sc(=C(C#N)C(=O)N3CCS(=O)(=O)CC3)n(C3CC3)c2=O)c1 ZINC000763456470 1072970802 /nfs/dbraw/zinc/97/08/02/1072970802.db2.gz ZAPMRXVRLMQKOC-UHFFFAOYSA-N 0 0 432.527 -0.657 20 30 IBEDRN Cn1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(Cc3ccon3)c2=O)c1 ZINC000763457448 1072973227 /nfs/dbraw/zinc/97/32/27/1072973227.db2.gz AWIGQQSQEMTWHL-UHFFFAOYSA-N 0 0 425.470 -0.354 20 30 IBEDRN COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1Cc1ccon1 ZINC000763457815 1072972152 /nfs/dbraw/zinc/97/21/52/1072972152.db2.gz IBDMWTFEIKVMDY-CYBMUJFWSA-N 0 0 427.486 -0.061 20 30 IBEDRN COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1Cc1ccon1 ZINC000763457816 1072972812 /nfs/dbraw/zinc/97/28/12/1072972812.db2.gz IBDMWTFEIKVMDY-ZDUSSCGKSA-N 0 0 427.486 -0.061 20 30 IBEDRN CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1CCS(C)(=O)=O ZINC000763457855 1072972613 /nfs/dbraw/zinc/97/26/13/1072972613.db2.gz KBKNASZCFRVKPR-UHFFFAOYSA-N 0 0 436.559 -0.432 20 30 IBEDRN Cn1ccc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(CCS(C)(=O)=O)c2=O)c1 ZINC000763457871 1072972785 /nfs/dbraw/zinc/97/27/85/1072972785.db2.gz KIQVMXAZYHSDPN-UHFFFAOYSA-N 0 0 448.570 -0.145 20 30 IBEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1CCS(C)(=O)=O ZINC000763458054 1072971454 /nfs/dbraw/zinc/97/14/54/1072971454.db2.gz MBPITRNPNALHKY-UHFFFAOYSA-N 0 0 436.559 -0.288 20 30 IBEDRN Cn1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C[C@@H]3CCOC3)c2=O)c1 ZINC000763458077 1072971992 /nfs/dbraw/zinc/97/19/92/1072971992.db2.gz MHJCVRUWENUTAG-INIZCTEOSA-N 0 0 428.514 -0.353 20 30 IBEDRN Cn1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C[C@H]3CCOC3)c2=O)c1 ZINC000763458079 1072972078 /nfs/dbraw/zinc/97/20/78/1072972078.db2.gz MHJCVRUWENUTAG-MRXNPFEDSA-N 0 0 428.514 -0.353 20 30 IBEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1Cc1ccon1 ZINC000763458127 1072972182 /nfs/dbraw/zinc/97/21/82/1072972182.db2.gz NAWBVBNMOWDMSF-UHFFFAOYSA-N 0 0 427.486 -0.060 20 30 IBEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1C[C@@H]1CCOC1 ZINC000763458199 1072971638 /nfs/dbraw/zinc/97/16/38/1072971638.db2.gz OEGGNABKVYFEBA-INIZCTEOSA-N 0 0 430.530 -0.059 20 30 IBEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1C[C@H]1CCOC1 ZINC000763458201 1072971658 /nfs/dbraw/zinc/97/16/58/1072971658.db2.gz OEGGNABKVYFEBA-MRXNPFEDSA-N 0 0 430.530 -0.059 20 30 IBEDRN Cn1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CCS(C)(=O)=O)c2=O)c1 ZINC000763459885 1072981110 /nfs/dbraw/zinc/98/11/10/1072981110.db2.gz CRNHNVLJTBMAJB-UHFFFAOYSA-N 0 0 434.543 -0.582 20 30 IBEDRN CC(C)CC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1CCNS(C)(=O)=O ZINC000763460219 1072979351 /nfs/dbraw/zinc/97/93/51/1072979351.db2.gz HDFKSVJZTRVXQB-UHFFFAOYSA-N 0 0 436.559 -0.084 20 30 IBEDRN CN(C)C(=O)Cn1c(=O)c(=Cc2ccn(C)c2)sc1=C(C#N)C(=O)N1CCSCC1 ZINC000763460384 1072985063 /nfs/dbraw/zinc/98/50/63/1072985063.db2.gz GYSIWBKNYLNFNX-UHFFFAOYSA-N 0 0 445.570 -0.585 20 30 IBEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1CC(=O)N(C)C ZINC000763460447 1072985158 /nfs/dbraw/zinc/98/51/58/1072985158.db2.gz IWEPCHBQLPYDQL-UHFFFAOYSA-N 0 0 445.545 -0.618 20 30 IBEDRN CCOCCn1c(=O)c(=Cc2ccn(C)c2)sc1=C(C#N)C(=O)N1CCN(CC)CC1 ZINC000763460467 1072984986 /nfs/dbraw/zinc/98/49/86/1072984986.db2.gz JMRNLONDPMTPSA-UHFFFAOYSA-N 0 0 443.573 -0.048 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1-c1ccc(OC)nc1 ZINC000763460499 1072985546 /nfs/dbraw/zinc/98/55/46/1072985546.db2.gz LIUWZRHRILJOHN-UHFFFAOYSA-N 0 0 439.497 -0.093 20 30 IBEDRN Cn1ccc(C=c2sc(=C(C#N)C(=O)c3ccc4c(c3)OCO4)n(CC(N)=O)c2=O)c1 ZINC000763460500 1072985626 /nfs/dbraw/zinc/98/56/26/1072985626.db2.gz LMEXFFXGTKOVET-UHFFFAOYSA-N 0 0 436.449 -0.152 20 30 IBEDRN CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1CCNS(C)(=O)=O ZINC000763460557 1072985567 /nfs/dbraw/zinc/98/55/67/1072985567.db2.gz MPESFRIDCOWNGF-CYBMUJFWSA-N 0 0 436.559 -0.084 20 30 IBEDRN CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1CCNS(C)(=O)=O ZINC000763460559 1072986103 /nfs/dbraw/zinc/98/61/03/1072986103.db2.gz MPESFRIDCOWNGF-ZDUSSCGKSA-N 0 0 436.559 -0.084 20 30 IBEDRN Cn1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCNS(C)(=O)=O)c2=O)c1 ZINC000763460641 1072985043 /nfs/dbraw/zinc/98/50/43/1072985043.db2.gz OEDFSJRDDNPHEA-UHFFFAOYSA-N 0 0 434.543 -0.330 20 30 IBEDRN CCn1cc(-n2c(=O)c(=Cc3ccn(C)c3)sc2=C(C#N)C(=O)N2CCOCC2)cn1 ZINC000763460737 1072983463 /nfs/dbraw/zinc/98/34/63/1072983463.db2.gz NBGCVJFGGOZEPO-UHFFFAOYSA-N 0 0 438.513 -0.184 20 30 IBEDRN Cn1ccc(C=c2sc(=C(C#N)C#N)n(Cc3ccc(S(N)(=O)=O)cc3)c2=O)c1 ZINC000763460859 1072984613 /nfs/dbraw/zinc/98/46/13/1072984613.db2.gz OAZWTGJYLHYHHY-UHFFFAOYSA-N 0 0 425.495 -0.029 20 30 IBEDRN Cn1ccc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(CCNS(C)(=O)=O)c2=O)c1 ZINC000763460882 1072984551 /nfs/dbraw/zinc/98/45/51/1072984551.db2.gz UECUABDBBOLYBJ-UHFFFAOYSA-N 0 0 436.559 -0.084 20 30 IBEDRN CN(C)C(=O)Cn1c(=O)c(=Cc2ccn(C)c2)sc1=C(C#N)C(=O)NC1CCCC1 ZINC000763461207 1072981856 /nfs/dbraw/zinc/98/18/56/1072981856.db2.gz UZNZCHFKMURFFR-UHFFFAOYSA-N 0 0 427.530 -0.102 20 30 IBEDRN CCn1cc(-n2c(=O)c(=Cc3ccn(C)c3)sc2=C(C#N)C(=O)NCCOC)cn1 ZINC000763461312 1072986015 /nfs/dbraw/zinc/98/60/15/1072986015.db2.gz VRJXCMMMVBBDPN-UHFFFAOYSA-N 0 0 426.502 -0.280 20 30 IBEDRN C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(S(=O)(=O)c3cc[nH]n3)CC2)cc1 ZINC000763687277 1073043143 /nfs/dbraw/zinc/04/31/43/1073043143.db2.gz BZVUVQDHNIMMQZ-UHFFFAOYSA-N 0 0 437.503 -0.532 20 30 IBEDRN C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(S(=O)(=O)c3cc[nH]n3)CC2)c1 ZINC000763693116 1073043455 /nfs/dbraw/zinc/04/34/55/1073043455.db2.gz YAWBPYCGHSPPLH-UHFFFAOYSA-N 0 0 437.503 -0.532 20 30 IBEDRN C#CCNS(=O)(=O)c1ccc(C(=O)NC2(C(N)=O)CN(C(=O)OC(C)(C)C)C2)cc1 ZINC000763818495 1073049814 /nfs/dbraw/zinc/04/98/14/1073049814.db2.gz KNOAXAARXYJANJ-UHFFFAOYSA-N 0 0 436.490 -0.197 20 30 IBEDRN C#CCNS(=O)(=O)c1cccc(C(=O)NC2(C(N)=O)CN(C(=O)OC(C)(C)C)C2)c1 ZINC000763821487 1073049787 /nfs/dbraw/zinc/04/97/87/1073049787.db2.gz CMCGRRVGTAILOY-UHFFFAOYSA-N 0 0 436.490 -0.197 20 30 IBEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)CCc2nnc[nH]2)CC1 ZINC000764004406 1073067063 /nfs/dbraw/zinc/06/70/63/1073067063.db2.gz INQCKRUQCXHAGA-UHFFFAOYSA-N 0 0 432.462 -0.315 20 30 IBEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCN3C(=O)OCC[C@H]3C2)CC1 ZINC000764427166 1073071759 /nfs/dbraw/zinc/07/17/59/1073071759.db2.gz WPGIMIOQFPGGCP-KRWDZBQOSA-N 0 0 447.517 -0.082 20 30 IBEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCN3C(=O)OCC[C@@H]3C2)CC1 ZINC000764427184 1073071910 /nfs/dbraw/zinc/07/19/10/1073071910.db2.gz WPGIMIOQFPGGCP-QGZVFWFLSA-N 0 0 447.517 -0.082 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(CC(=O)Nc2nc(CC(=O)OCC)cs2)CC1 ZINC000764980397 1073075271 /nfs/dbraw/zinc/07/52/71/1073075271.db2.gz SUFGCKVUJZOHMN-UHFFFAOYSA-N 0 0 429.524 -0.728 20 30 IBEDRN C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cc3c4c(c2)CCCN4C(=O)C3)CC1 ZINC000765113008 1073075847 /nfs/dbraw/zinc/07/58/47/1073075847.db2.gz QHNPNSYPPFFVSN-UHFFFAOYSA-N 0 0 430.530 -0.032 20 30 IBEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(CCOC)c2)c(=O)n1Cc1ccon1 ZINC000765144280 1073075715 /nfs/dbraw/zinc/07/57/15/1073075715.db2.gz GDJFYRAGVDZOJH-UHFFFAOYSA-N 0 0 440.485 -0.406 20 30 IBEDRN COCCn1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(Cc3ccon3)c2=O)cn1 ZINC000765145003 1073076206 /nfs/dbraw/zinc/07/62/06/1073076206.db2.gz FBBFKRUOFVBDKW-UHFFFAOYSA-N 0 0 440.485 -0.429 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2c(C)nn(C)c2C)c(=O)n1Cc1ccon1 ZINC000765145163 1073076243 /nfs/dbraw/zinc/07/62/43/1073076243.db2.gz GFWLZEYJFVGRRY-UHFFFAOYSA-N 0 0 442.501 -0.438 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2scnc2C)c(=O)n1Cc1ccon1 ZINC000765145248 1073076140 /nfs/dbraw/zinc/07/61/40/1073076140.db2.gz OBNNBRVMKPXDAC-UHFFFAOYSA-N 0 0 431.499 -0.023 20 30 IBEDRN CCn1cc(C=c2sc(=C(C#N)C(=O)NCCOC)n(Cc3ccon3)c2=O)cn1 ZINC000765145549 1073076230 /nfs/dbraw/zinc/07/62/30/1073076230.db2.gz JJENTDZDUQAYMX-UHFFFAOYSA-N 0 0 428.474 -0.572 20 30 IBEDRN COC(=O)c1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(Cc3ccon3)c2=O)c[nH]1 ZINC000765145788 1073076085 /nfs/dbraw/zinc/07/60/85/1073076085.db2.gz SLWSKKBFSSYZGI-UHFFFAOYSA-N 0 0 439.453 -0.158 20 30 IBEDRN Cn1cc(C=c2sc(=C(C#N)C(=O)N3CCSCC3)n(Cc3ccon3)c2=O)cn1 ZINC000765145827 1073075838 /nfs/dbraw/zinc/07/58/38/1073075838.db2.gz SYMWDXVUEKUGBA-UHFFFAOYSA-N 0 0 442.526 -0.242 20 30 IBEDRN COCCn1c(=O)c(=Cc2sccc2OC)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000765145852 1073075856 /nfs/dbraw/zinc/07/58/56/1073075856.db2.gz UDLCFITUGKKTHE-UHFFFAOYSA-N 0 0 435.527 -0.012 20 30 IBEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2sccc2OC)c(=O)n1CC(=O)N(C)C ZINC000765145944 1073076046 /nfs/dbraw/zinc/07/60/46/1073076046.db2.gz UUPJXUALRQCVFU-UHFFFAOYSA-N 0 0 432.527 -0.127 20 30 IBEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(CCOC)c2)c(=O)n1Cc1ccon1 ZINC000765145983 1073076057 /nfs/dbraw/zinc/07/60/57/1073076057.db2.gz VHWYEBOJPDEFDU-UHFFFAOYSA-N 0 0 442.501 -0.182 20 30 IBEDRN COCCn1c(=O)c(=Cc2ccc(COC)o2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000765146090 1073076161 /nfs/dbraw/zinc/07/61/61/1073076161.db2.gz VSIXLXTVALQHFY-UHFFFAOYSA-N 0 0 433.486 -0.343 20 30 IBEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1Cc1ccon1 ZINC000765146308 1073076107 /nfs/dbraw/zinc/07/61/07/1073076107.db2.gz UWTWIUVILPWYAM-UHFFFAOYSA-N 0 0 442.501 -0.275 20 30 IBEDRN CCn1cc(C=c2sc(=C(C#N)C(=O)N[C@H](C)COC)n(Cc3ccon3)c2=O)cn1 ZINC000765146467 1073076270 /nfs/dbraw/zinc/07/62/70/1073076270.db2.gz VANDIVSHVKKDHZ-CYBMUJFWSA-N 0 0 442.501 -0.183 20 30 IBEDRN CCn1cc(C=c2sc(=C(C#N)C(=O)N[C@@H](C)COC)n(Cc3ccon3)c2=O)cn1 ZINC000765146473 1073076188 /nfs/dbraw/zinc/07/61/88/1073076188.db2.gz VANDIVSHVKKDHZ-ZDUSSCGKSA-N 0 0 442.501 -0.183 20 30 IBEDRN CCn1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(Cc3ccon3)c2=O)cn1 ZINC000765146509 1073076219 /nfs/dbraw/zinc/07/62/19/1073076219.db2.gz VHVYZMFCEHZZSO-UHFFFAOYSA-N 0 0 440.485 -0.476 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cnc(C)s2)c(=O)n1Cc1ccon1 ZINC000765146575 1073076131 /nfs/dbraw/zinc/07/61/31/1073076131.db2.gz VNRHMIVPHHWWEC-UHFFFAOYSA-N 0 0 431.499 -0.023 20 30 IBEDRN COCCn1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(Cc3ccon3)c2=O)cn1 ZINC000765146587 1073076150 /nfs/dbraw/zinc/07/61/50/1073076150.db2.gz VPRHYQHRZVXGRO-UHFFFAOYSA-N 0 0 442.501 -0.183 20 30 IBEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2c[nH]c(C(=O)OC)c2)c(=O)n1Cc1ccon1 ZINC000765146754 1073076072 /nfs/dbraw/zinc/07/60/72/1073076072.db2.gz WMXQQZVMLSGYJQ-UHFFFAOYSA-N 0 0 439.453 -0.134 20 30 IBEDRN CCCn1cc(C=c2sc(=C(C#N)C(=O)NCCOC)n(Cc3ccon3)c2=O)cn1 ZINC000765146764 1073076098 /nfs/dbraw/zinc/07/60/98/1073076098.db2.gz WNJDLMKPQPGIQX-UHFFFAOYSA-N 0 0 442.501 -0.182 20 30 IBEDRN CCn1cc(C=c2sc(=C(C#N)C(=O)NCCCOC)n(Cc3ccon3)c2=O)cn1 ZINC000765146774 1073076256 /nfs/dbraw/zinc/07/62/56/1073076256.db2.gz WTRILBHJBNQGQF-UHFFFAOYSA-N 0 0 442.501 -0.182 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)C)c2)c(=O)n1Cc1ccon1 ZINC000765146867 1073076122 /nfs/dbraw/zinc/07/61/22/1073076122.db2.gz XSBNQERTDRWIDM-UHFFFAOYSA-N 0 0 442.501 -0.011 20 30 IBEDRN C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCS(=O)(=O)N1CCOCC1 ZINC000765347196 1073077007 /nfs/dbraw/zinc/07/70/07/1073077007.db2.gz GXNCWWUGOKEHNG-CYBMUJFWSA-N 0 0 430.508 -0.997 20 30 IBEDRN C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCS(=O)(=O)N1CCOCC1 ZINC000765347199 1073077431 /nfs/dbraw/zinc/07/74/31/1073077431.db2.gz GXNCWWUGOKEHNG-ZDUSSCGKSA-N 0 0 430.508 -0.997 20 30 IBEDRN C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCS(=O)(=O)N1CCOCC1 ZINC000765347213 1073077337 /nfs/dbraw/zinc/07/73/37/1073077337.db2.gz HDTBFUAIBUJUSB-CYBMUJFWSA-N 0 0 430.508 -0.997 20 30 IBEDRN C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCS(=O)(=O)N1CCOCC1 ZINC000765347214 1073940462 /nfs/dbraw/zinc/94/04/62/1073940462.db2.gz HDTBFUAIBUJUSB-ZDUSSCGKSA-N 0 0 430.508 -0.997 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)CCC(=O)N2CCN(c3ccccn3)CC2)CC1 ZINC000765406397 1073077883 /nfs/dbraw/zinc/07/78/83/1073077883.db2.gz NRJNRMWCUONBKO-UHFFFAOYSA-N 0 0 426.521 -0.596 20 30 IBEDRN C#CCNC(=O)CN1CCCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000765422925 1073077936 /nfs/dbraw/zinc/07/79/36/1073077936.db2.gz FHLGHELEDJPBKU-MRXNPFEDSA-N 0 0 431.518 -0.491 20 30 IBEDRN C#CCNC(=O)CN1CCCN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000765423302 1073077854 /nfs/dbraw/zinc/07/78/54/1073077854.db2.gz GRCKAAGHYNSEJY-INIZCTEOSA-N 0 0 431.518 -0.491 20 30 IBEDRN C#CCNC(=O)CN1CCCN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000765423303 1073078429 /nfs/dbraw/zinc/07/84/29/1073078429.db2.gz GRCKAAGHYNSEJY-MRXNPFEDSA-N 0 0 431.518 -0.491 20 30 IBEDRN C#CCNC(=O)CN1CCCN(C(=O)CCC(=O)N2CCN(c3ccccn3)CC2)CC1 ZINC000765426723 1073078265 /nfs/dbraw/zinc/07/82/65/1073078265.db2.gz TYMMWVPYCFGREH-UHFFFAOYSA-N 0 0 440.548 -0.206 20 30 IBEDRN C#CCNC(=O)CN1CCCN(C(=O)CCC(=O)N2CCN(c3ncccn3)CC2)CC1 ZINC000765428464 1073078327 /nfs/dbraw/zinc/07/83/27/1073078327.db2.gz XISPBVKHKWOQGK-UHFFFAOYSA-N 0 0 441.536 -0.811 20 30 IBEDRN C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC1CCN(CCS(C)(=O)=O)CC1 ZINC000765474512 1073078660 /nfs/dbraw/zinc/07/86/60/1073078660.db2.gz PDHDBXUDXPTPNS-AWEZNQCLSA-N 0 0 442.563 -0.150 20 30 IBEDRN C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC1CCN(CCS(C)(=O)=O)CC1 ZINC000765474531 1073078761 /nfs/dbraw/zinc/07/87/61/1073078761.db2.gz PDHDBXUDXPTPNS-CQSZACIVSA-N 0 0 442.563 -0.150 20 30 IBEDRN C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC1CCN(CCS(C)(=O)=O)CC1 ZINC000765475918 1073078634 /nfs/dbraw/zinc/07/86/34/1073078634.db2.gz XWWWWBROZILGLG-AWEZNQCLSA-N 0 0 442.563 -0.150 20 30 IBEDRN C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC1CCN(CCS(C)(=O)=O)CC1 ZINC000765475919 1073078703 /nfs/dbraw/zinc/07/87/03/1073078703.db2.gz XWWWWBROZILGLG-CQSZACIVSA-N 0 0 442.563 -0.150 20 30 IBEDRN C#CCNC(=O)CN1CCCN(C(=O)CCC(=O)Nc2ccc3[nH]c(=O)[nH]c3n2)CC1 ZINC000765484872 1073079081 /nfs/dbraw/zinc/07/90/81/1073079081.db2.gz LQVAMMWBMMURDQ-UHFFFAOYSA-N 0 0 427.465 -0.334 20 30 IBEDRN CS(=O)(=O)NCCn1c(=O)c(=Cc2ncccc2C(F)(F)F)sc1=C(C#N)C#N ZINC000765666981 1073090326 /nfs/dbraw/zinc/09/03/26/1073090326.db2.gz UZKKZDWTJDYZBX-UHFFFAOYSA-N 0 0 443.432 -0.101 20 30 IBEDRN COC[C@@H](O)CCNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 ZINC000765881362 1073142629 /nfs/dbraw/zinc/14/26/29/1073142629.db2.gz QILULFQLEQQICY-FJGOLAJPSA-N 0 0 426.495 -0.049 20 30 IBEDRN COC[C@H](O)CCNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 ZINC000765881365 1073142742 /nfs/dbraw/zinc/14/27/42/1073142742.db2.gz QILULFQLEQQICY-HDOZFUISSA-N 0 0 426.495 -0.049 20 30 IBEDRN COC[C@@H](O)CCNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 ZINC000765881368 1073142688 /nfs/dbraw/zinc/14/26/88/1073142688.db2.gz QILULFQLEQQICY-IKBYJFNHSA-N 0 0 426.495 -0.049 20 30 IBEDRN COC[C@H](O)CCNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 ZINC000765881370 1073142658 /nfs/dbraw/zinc/14/26/58/1073142658.db2.gz QILULFQLEQQICY-VDVBZYJVSA-N 0 0 426.495 -0.049 20 30 IBEDRN COC[C@@H](O)CCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 ZINC000765882268 1073143289 /nfs/dbraw/zinc/14/32/89/1073143289.db2.gz SWWDTTCLMLTVAL-FJGOLAJPSA-N 0 0 426.495 -0.049 20 30 IBEDRN COC[C@H](O)CCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 ZINC000765882269 1073143444 /nfs/dbraw/zinc/14/34/44/1073143444.db2.gz SWWDTTCLMLTVAL-HDOZFUISSA-N 0 0 426.495 -0.049 20 30 IBEDRN COC[C@@H](O)CCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 ZINC000765882270 1073143438 /nfs/dbraw/zinc/14/34/38/1073143438.db2.gz SWWDTTCLMLTVAL-IKBYJFNHSA-N 0 0 426.495 -0.049 20 30 IBEDRN COC[C@H](O)CCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 ZINC000765882271 1073143309 /nfs/dbraw/zinc/14/33/09/1073143309.db2.gz SWWDTTCLMLTVAL-VDVBZYJVSA-N 0 0 426.495 -0.049 20 30 IBEDRN Cn1c(=O)c(=Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])sc1=C(C#N)C(=O)N1CCOCC1 ZINC000766051057 1073256755 /nfs/dbraw/zinc/25/67/55/1073256755.db2.gz HPTLJUVSLDBVKK-UHFFFAOYSA-N 0 0 445.413 -0.375 20 30 IBEDRN CNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(=O)n1CCOC ZINC000766051684 1073256768 /nfs/dbraw/zinc/25/67/68/1073256768.db2.gz IYYHMZRRXLYDKV-UHFFFAOYSA-N 0 0 433.402 -0.378 20 30 IBEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(=O)n1C ZINC000766053142 1073256777 /nfs/dbraw/zinc/25/67/77/1073256777.db2.gz RGWNKNQJCBBAOW-UHFFFAOYSA-N 0 0 447.429 -0.081 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(=O)n1C ZINC000766053271 1073256815 /nfs/dbraw/zinc/25/68/15/1073256815.db2.gz SIWKQPKVXORBAG-UHFFFAOYSA-N 0 0 433.402 -0.471 20 30 IBEDRN CNC(=O)[C@@H](C#N)C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000766261208 1073521588 /nfs/dbraw/zinc/52/15/88/1073521588.db2.gz JAKIEZMUBNGNFT-INIZCTEOSA-N 0 0 436.490 -0.237 20 30 IBEDRN CNC(=O)[C@H](C#N)C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000766261209 1073521904 /nfs/dbraw/zinc/52/19/04/1073521904.db2.gz JAKIEZMUBNGNFT-MRXNPFEDSA-N 0 0 436.490 -0.237 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC000766379846 1073590670 /nfs/dbraw/zinc/59/06/70/1073590670.db2.gz PEFXIDBONBIIFF-UHFFFAOYSA-N 0 0 433.534 -0.048 20 30 IBEDRN C[C@@H]1C(NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)=CC(=O)N1C(=O)OC(C)(C)C ZINC000766452440 1073592944 /nfs/dbraw/zinc/59/29/44/1073592944.db2.gz HMGLNNXBVMKIBT-SECBINFHSA-N 0 0 429.455 -0.726 20 30 IBEDRN C[C@H]1C(NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)=CC(=O)N1C(=O)OC(C)(C)C ZINC000766452443 1073592811 /nfs/dbraw/zinc/59/28/11/1073592811.db2.gz HMGLNNXBVMKIBT-VIFPVBQESA-N 0 0 429.455 -0.726 20 30 IBEDRN N#Cc1c2c(cn(CN3CCN(S(=O)(=O)[C@H]4CCS(=O)(=O)C4)CC3)c1=O)CCC2 ZINC000766612375 1073595332 /nfs/dbraw/zinc/59/53/32/1073595332.db2.gz NPYFPJFVRQKYKQ-HNNXBMFYSA-N 0 0 440.547 -0.699 20 30 IBEDRN N#Cc1c2c(cn(CN3CCN(S(=O)(=O)[C@@H]4CCS(=O)(=O)C4)CC3)c1=O)CCC2 ZINC000766612379 1073595163 /nfs/dbraw/zinc/59/51/63/1073595163.db2.gz NPYFPJFVRQKYKQ-OAHLLOKOSA-N 0 0 440.547 -0.699 20 30 IBEDRN N#Cc1c2c(cn(CN3CCN(S(=O)(=O)c4ccc(C(N)=O)o4)CC3)c1=O)CCC2 ZINC000766613449 1073595791 /nfs/dbraw/zinc/59/57/91/1073595791.db2.gz WUMSQEOULPMVHZ-UHFFFAOYSA-N 0 0 431.474 -0.135 20 30 IBEDRN C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc(Cl)ccc2OCC(N)=O)CC1 ZINC000766800101 1073604207 /nfs/dbraw/zinc/60/42/07/1073604207.db2.gz QNPFKQKMWBGVHG-UHFFFAOYSA-N 0 0 428.898 -0.740 20 30 IBEDRN C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cc(Cl)ccc2OCC(N)=O)CC1 ZINC000766817715 1073605389 /nfs/dbraw/zinc/60/53/89/1073605389.db2.gz SFOWJNCJDYLHIB-UHFFFAOYSA-N 0 0 442.925 -0.350 20 30 IBEDRN COC(=O)C1(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 ZINC000766826531 1073605405 /nfs/dbraw/zinc/60/54/05/1073605405.db2.gz CJDITQGWFOGMGI-UHFFFAOYSA-N 0 0 435.458 -0.112 20 30 IBEDRN C#CCNC(=O)CN1CCCN(C(=O)c2ccccc2S(=O)(=O)CCN(C)C)CC1 ZINC000767184552 1073614375 /nfs/dbraw/zinc/61/43/75/1073614375.db2.gz UGNFVRNJDJMXDJ-UHFFFAOYSA-N 0 0 434.562 -0.081 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)CCN2C(=O)c3ccccc3C2=O)C1=O ZINC000767319613 1073616493 /nfs/dbraw/zinc/61/64/93/1073616493.db2.gz PDHZPYRKNZZKGT-UHFFFAOYSA-N 0 0 427.369 -0.238 20 30 IBEDRN CCOCCS(=O)(=O)NCC(=O)OCC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000767381564 1073617746 /nfs/dbraw/zinc/61/77/46/1073617746.db2.gz YTAZUMHIECEOMO-UHFFFAOYSA-N 0 0 443.482 -0.998 20 30 IBEDRN Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)COC(=O)C2(C#N)CCOCC2)CC1 ZINC000767396223 1073618421 /nfs/dbraw/zinc/61/84/21/1073618421.db2.gz CCTUXZWPTJNJHZ-UHFFFAOYSA-N 0 0 440.478 -0.012 20 30 IBEDRN Cc1ncc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c(N)n1 ZINC000767407144 1073617592 /nfs/dbraw/zinc/61/75/92/1073617592.db2.gz VJKGLVSUSYRHJX-UHFFFAOYSA-N 0 0 444.473 -0.071 20 30 IBEDRN Cc1cc(S(=O)(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)ccc1C#N ZINC000767489450 1073619877 /nfs/dbraw/zinc/61/98/77/1073619877.db2.gz AFCPCFBTIOJHSN-INIZCTEOSA-N 0 0 447.560 -0.310 20 30 IBEDRN Cc1cc(S(=O)(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)ccc1C#N ZINC000767489454 1073619948 /nfs/dbraw/zinc/61/99/48/1073619948.db2.gz AFCPCFBTIOJHSN-MRXNPFEDSA-N 0 0 447.560 -0.310 20 30 IBEDRN N#CCNC(=O)COC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000767537326 1073620430 /nfs/dbraw/zinc/62/04/30/1073620430.db2.gz JNRCRKRHNHPMDU-UHFFFAOYSA-N 0 0 440.453 -0.378 20 30 IBEDRN C#CCNC(=O)COC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000767538980 1073621146 /nfs/dbraw/zinc/62/11/46/1073621146.db2.gz PFBCQXIXOPWPCV-UHFFFAOYSA-N 0 0 439.465 -0.269 20 30 IBEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)C[C@H]2COC(=O)C2)CC1 ZINC000767583510 1073622349 /nfs/dbraw/zinc/62/23/49/1073622349.db2.gz CKHHNMKJQOOBSM-AWEZNQCLSA-N 0 0 435.458 -0.112 20 30 IBEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)C[C@@H]2COC(=O)C2)CC1 ZINC000767583511 1073622356 /nfs/dbraw/zinc/62/23/56/1073622356.db2.gz CKHHNMKJQOOBSM-CQSZACIVSA-N 0 0 435.458 -0.112 20 30 IBEDRN C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000767625185 1073624285 /nfs/dbraw/zinc/62/42/85/1073624285.db2.gz AAGATZXHFBVJGR-AWEZNQCLSA-N 0 0 448.501 -0.151 20 30 IBEDRN C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000767625200 1073624212 /nfs/dbraw/zinc/62/42/12/1073624212.db2.gz AAGATZXHFBVJGR-CQSZACIVSA-N 0 0 448.501 -0.151 20 30 IBEDRN C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCCNS(=O)(=O)c1cnn(C)c1 ZINC000767625695 1073624242 /nfs/dbraw/zinc/62/42/42/1073624242.db2.gz DDMJYMONFNLQEE-GFCCVEGCSA-N 0 0 441.491 -0.520 20 30 IBEDRN C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCCNS(=O)(=O)c1cnn(C)c1 ZINC000767625696 1073624203 /nfs/dbraw/zinc/62/42/03/1073624203.db2.gz DDMJYMONFNLQEE-LBPRGKRZSA-N 0 0 441.491 -0.520 20 30 IBEDRN CC(=O)N[C@H]1CCCN(C(=O)COC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000767625721 1073624246 /nfs/dbraw/zinc/62/42/46/1073624246.db2.gz DRBQXOKNCBHBTL-BBRMVZONSA-N 0 0 436.490 -0.105 20 30 IBEDRN CC(=O)N[C@H]1CCCN(C(=O)COC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000767625722 1073624958 /nfs/dbraw/zinc/62/49/58/1073624958.db2.gz DRBQXOKNCBHBTL-CJNGLKHVSA-N 0 0 436.490 -0.105 20 30 IBEDRN CC(=O)N[C@@H]1CCCN(C(=O)COC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000767625723 1073624866 /nfs/dbraw/zinc/62/48/66/1073624866.db2.gz DRBQXOKNCBHBTL-CZUORRHYSA-N 0 0 436.490 -0.105 20 30 IBEDRN CC(=O)N[C@@H]1CCCN(C(=O)COC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000767625724 1073624933 /nfs/dbraw/zinc/62/49/33/1073624933.db2.gz DRBQXOKNCBHBTL-XJKSGUPXSA-N 0 0 436.490 -0.105 20 30 IBEDRN C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC(=O)NCCCN1CCCC1=O ZINC000767630352 1073623113 /nfs/dbraw/zinc/62/31/13/1073623113.db2.gz ZJRDQRRVRPDZHP-AWEZNQCLSA-N 0 0 436.490 -0.103 20 30 IBEDRN C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC(=O)NCCCN1CCCC1=O ZINC000767630358 1073623798 /nfs/dbraw/zinc/62/37/98/1073623798.db2.gz ZJRDQRRVRPDZHP-CQSZACIVSA-N 0 0 436.490 -0.103 20 30 IBEDRN COC[C@@H](C)NC(=O)NC(=O)COC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 ZINC000767630632 1073623747 /nfs/dbraw/zinc/62/37/47/1073623747.db2.gz OBEZWDLIBGWYNY-NEPJUHHUSA-N 0 0 426.451 -0.371 20 30 IBEDRN COC[C@H](C)NC(=O)NC(=O)COC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 ZINC000767630644 1073623766 /nfs/dbraw/zinc/62/37/66/1073623766.db2.gz OBEZWDLIBGWYNY-NWDGAFQWSA-N 0 0 426.451 -0.371 20 30 IBEDRN COC[C@H](C)NC(=O)NC(=O)COC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 ZINC000767630645 1073623834 /nfs/dbraw/zinc/62/38/34/1073623834.db2.gz OBEZWDLIBGWYNY-RYUDHWBXSA-N 0 0 426.451 -0.371 20 30 IBEDRN COC[C@@H](C)NC(=O)NC(=O)COC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 ZINC000767630647 1073623781 /nfs/dbraw/zinc/62/37/81/1073623781.db2.gz OBEZWDLIBGWYNY-VXGBXAGGSA-N 0 0 426.451 -0.371 20 30 IBEDRN C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)O[C@H](C)C(=O)N1CCC(C(N)=O)CC1 ZINC000767633276 1073623819 /nfs/dbraw/zinc/62/38/19/1073623819.db2.gz XIZQPYIEDMTWNQ-CHWSQXEVSA-N 0 0 436.490 -0.119 20 30 IBEDRN C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)O[C@@H](C)C(=O)N1CCC(C(N)=O)CC1 ZINC000767633284 1073623788 /nfs/dbraw/zinc/62/37/88/1073623788.db2.gz XIZQPYIEDMTWNQ-OLZOCXBDSA-N 0 0 436.490 -0.119 20 30 IBEDRN C[C@@H](OC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC(C(N)=O)CC1 ZINC000767633288 1073623829 /nfs/dbraw/zinc/62/38/29/1073623829.db2.gz XIZQPYIEDMTWNQ-QWHCGFSZSA-N 0 0 436.490 -0.119 20 30 IBEDRN C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)O[C@@H](C)C(=O)N1CCC(C(N)=O)CC1 ZINC000767633289 1073623809 /nfs/dbraw/zinc/62/38/09/1073623809.db2.gz XIZQPYIEDMTWNQ-STQMWFEESA-N 0 0 436.490 -0.119 20 30 IBEDRN C[C@@H](OC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000767633980 1073623824 /nfs/dbraw/zinc/62/38/24/1073623824.db2.gz CKJMADXHJDWFTL-GUTXKFCHSA-N 0 0 436.490 -0.119 20 30 IBEDRN C[C@@H](OC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000767633982 1073623726 /nfs/dbraw/zinc/62/37/26/1073623726.db2.gz CKJMADXHJDWFTL-GZBFAFLISA-N 0 0 436.490 -0.119 20 30 IBEDRN C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)O[C@@H](C)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000767633983 1073623773 /nfs/dbraw/zinc/62/37/73/1073623773.db2.gz CKJMADXHJDWFTL-KCQAQPDRSA-N 0 0 436.490 -0.119 20 30 IBEDRN C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)O[C@@H](C)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000767633984 1073623700 /nfs/dbraw/zinc/62/37/00/1073623700.db2.gz CKJMADXHJDWFTL-YDHLFZDLSA-N 0 0 436.490 -0.119 20 30 IBEDRN CC(=O)N1CCN(C(=O)[C@H](C)OC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000767634804 1073623733 /nfs/dbraw/zinc/62/37/33/1073623733.db2.gz FXAQYCCBXAFFEY-KBPBESRZSA-N 0 0 436.490 -0.153 20 30 IBEDRN CC(=O)N1CCN(C(=O)[C@H](C)OC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000767634819 1073623804 /nfs/dbraw/zinc/62/38/04/1073623804.db2.gz FXAQYCCBXAFFEY-KGLIPLIRSA-N 0 0 436.490 -0.153 20 30 IBEDRN CC(=O)N1CCN(C(=O)[C@@H](C)OC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000767634825 1073623760 /nfs/dbraw/zinc/62/37/60/1073623760.db2.gz FXAQYCCBXAFFEY-UONOGXRCSA-N 0 0 436.490 -0.153 20 30 IBEDRN CC(=O)N1CCN(C(=O)[C@@H](C)OC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000767634832 1073623712 /nfs/dbraw/zinc/62/37/12/1073623712.db2.gz FXAQYCCBXAFFEY-ZIAGYGMSSA-N 0 0 436.490 -0.153 20 30 IBEDRN CC(=O)N1CCC(NC(=O)COC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000767637080 1073624267 /nfs/dbraw/zinc/62/42/67/1073624267.db2.gz NOCWQPRRYKGZPX-CYBMUJFWSA-N 0 0 436.490 -0.105 20 30 IBEDRN CC(=O)N1CCC(NC(=O)COC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000767637083 1073624194 /nfs/dbraw/zinc/62/41/94/1073624194.db2.gz NOCWQPRRYKGZPX-ZDUSSCGKSA-N 0 0 436.490 -0.105 20 30 IBEDRN C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)O[C@H](C)C(=O)N(C)CC(=O)NC1CC1 ZINC000767637439 1073624174 /nfs/dbraw/zinc/62/41/74/1073624174.db2.gz OSDOWTDIAPWVEA-CHWSQXEVSA-N 0 0 436.490 -0.106 20 30 IBEDRN C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)O[C@@H](C)C(=O)N(C)CC(=O)NC1CC1 ZINC000767637440 1073624250 /nfs/dbraw/zinc/62/42/50/1073624250.db2.gz OSDOWTDIAPWVEA-OLZOCXBDSA-N 0 0 436.490 -0.106 20 30 IBEDRN C[C@@H](OC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)CC(=O)NC1CC1 ZINC000767637442 1073624179 /nfs/dbraw/zinc/62/41/79/1073624179.db2.gz OSDOWTDIAPWVEA-QWHCGFSZSA-N 0 0 436.490 -0.106 20 30 IBEDRN C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)O[C@@H](C)C(=O)N(C)CC(=O)NC1CC1 ZINC000767637443 1073624279 /nfs/dbraw/zinc/62/42/79/1073624279.db2.gz OSDOWTDIAPWVEA-STQMWFEESA-N 0 0 436.490 -0.106 20 30 IBEDRN CC(=O)N1CCN(C(=O)[C@H](C)OC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000767673956 1073624944 /nfs/dbraw/zinc/62/49/44/1073624944.db2.gz CZPMFGZXZTUXSV-KBPBESRZSA-N 0 0 436.490 -0.153 20 30 IBEDRN CC(=O)N1CCN(C(=O)[C@H](C)OC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000767673961 1073624968 /nfs/dbraw/zinc/62/49/68/1073624968.db2.gz CZPMFGZXZTUXSV-KGLIPLIRSA-N 0 0 436.490 -0.153 20 30 IBEDRN CC(=O)N1CCN(C(=O)[C@@H](C)OC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000767673965 1073624895 /nfs/dbraw/zinc/62/48/95/1073624895.db2.gz CZPMFGZXZTUXSV-UONOGXRCSA-N 0 0 436.490 -0.153 20 30 IBEDRN CC(=O)N1CCN(C(=O)[C@@H](C)OC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000767673968 1073624907 /nfs/dbraw/zinc/62/49/07/1073624907.db2.gz CZPMFGZXZTUXSV-ZIAGYGMSSA-N 0 0 436.490 -0.153 20 30 IBEDRN CC(=O)N1CCC(NC(=O)COC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000767675678 1073625478 /nfs/dbraw/zinc/62/54/78/1073625478.db2.gz KUJUTMXAABOHRH-CYBMUJFWSA-N 0 0 436.490 -0.105 20 30 IBEDRN CC(=O)N1CCC(NC(=O)COC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000767675679 1073625668 /nfs/dbraw/zinc/62/56/68/1073625668.db2.gz KUJUTMXAABOHRH-ZDUSSCGKSA-N 0 0 436.490 -0.105 20 30 IBEDRN C[C@@H](OC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000767676326 1073624960 /nfs/dbraw/zinc/62/49/60/1073624960.db2.gz NEBWSVHJLLJSOU-GUTXKFCHSA-N 0 0 436.490 -0.119 20 30 IBEDRN C[C@@H](OC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000767676329 1073624914 /nfs/dbraw/zinc/62/49/14/1073624914.db2.gz NEBWSVHJLLJSOU-GZBFAFLISA-N 0 0 436.490 -0.119 20 30 IBEDRN C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)O[C@@H](C)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000767676331 1073624925 /nfs/dbraw/zinc/62/49/25/1073624925.db2.gz NEBWSVHJLLJSOU-KCQAQPDRSA-N 0 0 436.490 -0.119 20 30 IBEDRN C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)O[C@@H](C)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000767676333 1073624972 /nfs/dbraw/zinc/62/49/72/1073624972.db2.gz NEBWSVHJLLJSOU-YDHLFZDLSA-N 0 0 436.490 -0.119 20 30 IBEDRN C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)O[C@H](C)C(=O)N(C)CC(=O)NC1CC1 ZINC000767676934 1073626244 /nfs/dbraw/zinc/62/62/44/1073626244.db2.gz QJYWQUXLOJXQTM-CHWSQXEVSA-N 0 0 436.490 -0.106 20 30 IBEDRN C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)O[C@@H](C)C(=O)N(C)CC(=O)NC1CC1 ZINC000767676937 1073626248 /nfs/dbraw/zinc/62/62/48/1073626248.db2.gz QJYWQUXLOJXQTM-OLZOCXBDSA-N 0 0 436.490 -0.106 20 30 IBEDRN C[C@@H](OC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)CC(=O)NC1CC1 ZINC000767676941 1073626235 /nfs/dbraw/zinc/62/62/35/1073626235.db2.gz QJYWQUXLOJXQTM-QWHCGFSZSA-N 0 0 436.490 -0.106 20 30 IBEDRN C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)O[C@@H](C)C(=O)N(C)CC(=O)NC1CC1 ZINC000767676945 1073626299 /nfs/dbraw/zinc/62/62/99/1073626299.db2.gz QJYWQUXLOJXQTM-STQMWFEESA-N 0 0 436.490 -0.106 20 30 IBEDRN COC[C@@H](C)NC(=O)NC(=O)COC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 ZINC000767677135 1073625652 /nfs/dbraw/zinc/62/56/52/1073625652.db2.gz DPPRFRMRWJGEHE-NEPJUHHUSA-N 0 0 426.451 -0.371 20 30 IBEDRN COC[C@H](C)NC(=O)NC(=O)COC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 ZINC000767677137 1073626267 /nfs/dbraw/zinc/62/62/67/1073626267.db2.gz DPPRFRMRWJGEHE-NWDGAFQWSA-N 0 0 426.451 -0.371 20 30 IBEDRN COC[C@H](C)NC(=O)NC(=O)COC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 ZINC000767677138 1073626293 /nfs/dbraw/zinc/62/62/93/1073626293.db2.gz DPPRFRMRWJGEHE-RYUDHWBXSA-N 0 0 426.451 -0.371 20 30 IBEDRN COC[C@@H](C)NC(=O)NC(=O)COC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 ZINC000767677140 1073626302 /nfs/dbraw/zinc/62/63/02/1073626302.db2.gz DPPRFRMRWJGEHE-VXGBXAGGSA-N 0 0 426.451 -0.371 20 30 IBEDRN C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCCNS(=O)(=O)c1cnn(C)c1 ZINC000767677764 1073626336 /nfs/dbraw/zinc/62/63/36/1073626336.db2.gz AQJRQDFMKUDELW-GFCCVEGCSA-N 0 0 441.491 -0.520 20 30 IBEDRN C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCCNS(=O)(=O)c1cnn(C)c1 ZINC000767677765 1073626212 /nfs/dbraw/zinc/62/62/12/1073626212.db2.gz AQJRQDFMKUDELW-LBPRGKRZSA-N 0 0 441.491 -0.520 20 30 IBEDRN C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)O[C@H](C)C(=O)N1CCC(C(N)=O)CC1 ZINC000767678518 1073626331 /nfs/dbraw/zinc/62/63/31/1073626331.db2.gz DIBCZVGGPLNZMO-CHWSQXEVSA-N 0 0 436.490 -0.119 20 30 IBEDRN C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)O[C@@H](C)C(=O)N1CCC(C(N)=O)CC1 ZINC000767678519 1073626284 /nfs/dbraw/zinc/62/62/84/1073626284.db2.gz DIBCZVGGPLNZMO-OLZOCXBDSA-N 0 0 436.490 -0.119 20 30 IBEDRN C[C@@H](OC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC(C(N)=O)CC1 ZINC000767678520 1073626312 /nfs/dbraw/zinc/62/63/12/1073626312.db2.gz DIBCZVGGPLNZMO-QWHCGFSZSA-N 0 0 436.490 -0.119 20 30 IBEDRN C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)O[C@@H](C)C(=O)N1CCC(C(N)=O)CC1 ZINC000767678521 1073626274 /nfs/dbraw/zinc/62/62/74/1073626274.db2.gz DIBCZVGGPLNZMO-STQMWFEESA-N 0 0 436.490 -0.119 20 30 IBEDRN CC(=O)N[C@H]1CCCN(C(=O)COC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000767679269 1073626255 /nfs/dbraw/zinc/62/62/55/1073626255.db2.gz HPCVFGOAPQTOBG-BBRMVZONSA-N 0 0 436.490 -0.105 20 30 IBEDRN CC(=O)N[C@H]1CCCN(C(=O)COC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000767679274 1073626186 /nfs/dbraw/zinc/62/61/86/1073626186.db2.gz HPCVFGOAPQTOBG-CJNGLKHVSA-N 0 0 436.490 -0.105 20 30 IBEDRN CC(=O)N[C@@H]1CCCN(C(=O)COC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000767679278 1073626319 /nfs/dbraw/zinc/62/63/19/1073626319.db2.gz HPCVFGOAPQTOBG-CZUORRHYSA-N 0 0 436.490 -0.105 20 30 IBEDRN CC(=O)N[C@@H]1CCCN(C(=O)COC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000767679282 1073626205 /nfs/dbraw/zinc/62/62/05/1073626205.db2.gz HPCVFGOAPQTOBG-XJKSGUPXSA-N 0 0 436.490 -0.105 20 30 IBEDRN C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC(=O)NCCCN1CCCC1=O ZINC000767681354 1073626224 /nfs/dbraw/zinc/62/62/24/1073626224.db2.gz QRNRAQPTDHRLPQ-AWEZNQCLSA-N 0 0 436.490 -0.103 20 30 IBEDRN C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC(=O)NCCCN1CCCC1=O ZINC000767681357 1073626781 /nfs/dbraw/zinc/62/67/81/1073626781.db2.gz QRNRAQPTDHRLPQ-CQSZACIVSA-N 0 0 436.490 -0.103 20 30 IBEDRN C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000767682771 1073626887 /nfs/dbraw/zinc/62/68/87/1073626887.db2.gz XOEVLCQXNNJKIG-AWEZNQCLSA-N 0 0 448.501 -0.151 20 30 IBEDRN C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000767682772 1073626787 /nfs/dbraw/zinc/62/67/87/1073626787.db2.gz XOEVLCQXNNJKIG-CQSZACIVSA-N 0 0 448.501 -0.151 20 30 IBEDRN C#CCNC(=O)CN1CCN(S(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000767762239 1073627506 /nfs/dbraw/zinc/62/75/06/1073627506.db2.gz HCJABAAZBBLKMT-UHFFFAOYSA-N 0 0 432.502 -0.631 20 30 IBEDRN C#CCNC(=O)CN1CCCN(S(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000767770376 1073627989 /nfs/dbraw/zinc/62/79/89/1073627989.db2.gz DUTFZVKRROJMRH-UHFFFAOYSA-N 0 0 446.529 -0.240 20 30 IBEDRN CCOC(=O)c1ccc(S(=O)(=O)NN=Cc2nc3c(c(=O)[nH]c(=O)n3C)n2C)cc1 ZINC000767791018 1073629267 /nfs/dbraw/zinc/62/92/67/1073629267.db2.gz LILHABYURGOHPR-UHFFFAOYSA-N 0 0 434.434 -0.138 20 30 IBEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCCN(c3nccc(OCC)n3)CC2)c1=O ZINC000767797222 1073629312 /nfs/dbraw/zinc/62/93/12/1073629312.db2.gz QAAFGOALCBGMTJ-UHFFFAOYSA-N 0 0 443.508 -0.098 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)CC1 ZINC000767863607 1073630600 /nfs/dbraw/zinc/63/06/00/1073630600.db2.gz KZWJFMYZLZDNRR-UHFFFAOYSA-N 0 0 427.417 -0.245 20 30 IBEDRN C=CCn1c(=O)c(=Cc2cncs2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000767871613 1073631389 /nfs/dbraw/zinc/63/13/89/1073631389.db2.gz FPAPGGRAQUERNH-UHFFFAOYSA-N 0 0 431.543 -0.496 20 30 IBEDRN CCCn1c(=O)c(=Cc2cncs2)sc1=C(C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000767871943 1073631274 /nfs/dbraw/zinc/63/12/74/1073631274.db2.gz JZZUALURILDIHX-UHFFFAOYSA-N 0 0 438.556 -0.464 20 30 IBEDRN CC(C)Cn1c(=O)c(=Cc2cncs2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000767872035 1073631347 /nfs/dbraw/zinc/63/13/47/1073631347.db2.gz LMXXUFAXDQVLSR-UHFFFAOYSA-N 0 0 447.586 -0.026 20 30 IBEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2cncs2)c(=O)n1C[C@H]1CCCO1 ZINC000767872434 1073631327 /nfs/dbraw/zinc/63/13/27/1073631327.db2.gz PJRDLSOZUNMZDD-CYBMUJFWSA-N 0 0 432.527 -0.093 20 30 IBEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2cncs2)c(=O)n1C[C@@H]1CCCO1 ZINC000767872435 1073631372 /nfs/dbraw/zinc/63/13/72/1073631372.db2.gz PJRDLSOZUNMZDD-ZDUSSCGKSA-N 0 0 432.527 -0.093 20 30 IBEDRN CCCn1c(=O)c(=Cc2cncs2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000767874709 1073631304 /nfs/dbraw/zinc/63/13/04/1073631304.db2.gz ZYTRQSYBMYMLJU-UHFFFAOYSA-N 0 0 433.559 -0.272 20 30 IBEDRN CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cncs2)c(=O)n1CCN1CCOCC1 ZINC000767878955 1073630579 /nfs/dbraw/zinc/63/05/79/1073630579.db2.gz CQFKSAZFUMGCFN-UHFFFAOYSA-N 0 0 447.586 -0.026 20 30 IBEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cncs3)c(=O)n2CCOC)CC1 ZINC000767880180 1073630705 /nfs/dbraw/zinc/63/07/05/1073630705.db2.gz JIKYRIYONIWRPN-UHFFFAOYSA-N 0 0 433.559 -0.320 20 30 IBEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cncs2)c(=O)n1CCN1CCOCC1 ZINC000767880211 1073630729 /nfs/dbraw/zinc/63/07/29/1073630729.db2.gz KFUXRIIZUSGROD-UHFFFAOYSA-N 0 0 431.543 -0.496 20 30 IBEDRN N#CC(C(=O)NC1CC1)=c1sc(=Cc2cncs2)c(=O)n1CCN1CCOCC1 ZINC000767880231 1073630734 /nfs/dbraw/zinc/63/07/34/1073630734.db2.gz KTPZUGBCIMYQJX-UHFFFAOYSA-N 0 0 431.543 -0.520 20 30 IBEDRN N#CC(C(=O)N1CCCC1)=c1sc(=Cc2cncs2)c(=O)n1CCN1CCOCC1 ZINC000767880953 1073630696 /nfs/dbraw/zinc/63/06/96/1073630696.db2.gz RWQJQNBHICLBIX-UHFFFAOYSA-N 0 0 445.570 -0.176 20 30 IBEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2cncs2)c(=O)n1CCN1CCOCC1 ZINC000767881314 1073630628 /nfs/dbraw/zinc/63/06/28/1073630628.db2.gz TXYZMJXJOQXDKA-UHFFFAOYSA-N 0 0 433.559 -0.274 20 30 IBEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cncs2)c(=O)n1CCN1CCOCC1 ZINC000767881418 1073630776 /nfs/dbraw/zinc/63/07/76/1073630776.db2.gz VZSGKFUSJRBYSL-UHFFFAOYSA-N 0 0 433.559 -0.272 20 30 IBEDRN CCn1cc(-n2c(=O)c(=Cc3cncs3)sc2=C(C#N)C(=O)NCCOC)cn1 ZINC000767881600 1073630678 /nfs/dbraw/zinc/63/06/78/1073630678.db2.gz ABCOSJVPMOUPMW-UHFFFAOYSA-N 0 0 430.515 -0.162 20 30 IBEDRN N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2cncs2)c(=O)n1C1CC1 ZINC000767883118 1073630643 /nfs/dbraw/zinc/63/06/43/1073630643.db2.gz GMUKQRCGAZZKGY-UHFFFAOYSA-N 0 0 431.543 -0.347 20 30 IBEDRN CCn1cc(-n2c(=O)c(=Cc3cncs3)sc2=C(C#N)C(=O)N2CCOCC2)cn1 ZINC000767885028 1073631294 /nfs/dbraw/zinc/63/12/94/1073631294.db2.gz XAQLUCLBSIKOJW-UHFFFAOYSA-N 0 0 442.526 -0.066 20 30 IBEDRN CS(=O)(=O)NCCn1c(=O)c(=Cc2cc(F)c(F)cc2F)sc1=C(C#N)C#N ZINC000767889610 1073631358 /nfs/dbraw/zinc/63/13/58/1073631358.db2.gz AKILELMOJFLAHP-UHFFFAOYSA-N 0 0 428.417 -0.097 20 30 IBEDRN COCCn1cc(C=c2sc(=C(C#N)C(=O)C3CCCCC3)n(CC(N)=O)c2=O)cn1 ZINC000767892699 1073631377 /nfs/dbraw/zinc/63/13/77/1073631377.db2.gz VMYROUNISWFATI-UHFFFAOYSA-N 0 0 443.529 -0.110 20 30 IBEDRN C#CCn1c(=O)c(=Cc2cc(C)oc2C)sc1=C(C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000767957173 1073632046 /nfs/dbraw/zinc/63/20/46/1073632046.db2.gz BKQXIOLVYXKLTQ-UHFFFAOYSA-N 0 0 445.522 -0.487 20 30 IBEDRN C#CCn1c(=O)c(=Cc2cc(C)oc2C)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000767959108 1073631976 /nfs/dbraw/zinc/63/19/76/1073631976.db2.gz PBDPLVWAQAEKLH-UHFFFAOYSA-N 0 0 440.525 -0.296 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(c3ccc(NS(C)(=O)=O)cc3)CC2)C1=O ZINC000767995118 1073632227 /nfs/dbraw/zinc/63/22/27/1073632227.db2.gz MBELEMYIZAICTE-UHFFFAOYSA-N 0 0 449.489 -0.317 20 30 IBEDRN CCN(CC)S(=O)(=O)N1CCN(C(=O)C(=O)Nc2cc(C)n(CCC#N)n2)CC1 ZINC000768025465 1073633748 /nfs/dbraw/zinc/63/37/48/1073633748.db2.gz PBOKGJXAMFZENF-UHFFFAOYSA-N 0 0 425.515 -0.226 20 30 IBEDRN COc1ccc(S(=O)(=O)N2CC(NC(=O)NCCNC(=O)C3N=CC=CC3=O)C2)cc1 ZINC000768335252 1073638376 /nfs/dbraw/zinc/63/83/76/1073638376.db2.gz COPKACWSOOETPR-ISLYRVAYSA-N 0 0 449.489 -0.106 20 30 IBEDRN COc1ccc(S(=O)(=O)N2CC(NC(=O)NCCNC(=O)C3N=CC=CC3=O)C2)cc1 ZINC000768335256 1073638122 /nfs/dbraw/zinc/63/81/22/1073638122.db2.gz COPKACWSOOETPR-ZCXUNETKSA-N 0 0 449.489 -0.106 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)CNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)CC1 ZINC000768392406 1073638240 /nfs/dbraw/zinc/63/82/40/1073638240.db2.gz LBGAVXUUEDOSOF-SFHVURJKSA-N 0 0 437.541 -0.455 20 30 IBEDRN C=CCS(=O)(=O)CCNC(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 ZINC000768429807 1073638925 /nfs/dbraw/zinc/63/89/25/1073638925.db2.gz UKXVVSAWASQMRO-UHFFFAOYSA-N 0 0 445.519 -0.269 20 30 IBEDRN C#CCNS(=O)(=O)c1cccc(C(=O)OCCN(C)S(=O)(=O)N2CCOCC2)c1 ZINC000768777865 1073643407 /nfs/dbraw/zinc/64/34/07/1073643407.db2.gz MBMAXGVPGMIUGZ-UHFFFAOYSA-N 0 0 445.519 -0.736 20 30 IBEDRN CC1(C)CCC[C@]2(C1)NC(=O)N(CC(=O)[C@@H](C#N)C(=O)N1CCS(=O)(=O)CC1)C2=O ZINC000768779199 1073643430 /nfs/dbraw/zinc/64/34/30/1073643430.db2.gz IGERGYDPVOMQCE-BFUOFWGJSA-N 0 0 438.506 -0.157 20 30 IBEDRN CC1(C)CCC[C@@]2(C1)NC(=O)N(CC(=O)[C@H](C#N)C(=O)N1CCS(=O)(=O)CC1)C2=O ZINC000768779202 1073643382 /nfs/dbraw/zinc/64/33/82/1073643382.db2.gz IGERGYDPVOMQCE-DJJJIMSYSA-N 0 0 438.506 -0.157 20 30 IBEDRN CC1(C)CCC[C@]2(C1)NC(=O)N(CC(=O)[C@H](C#N)C(=O)N1CCS(=O)(=O)CC1)C2=O ZINC000768779206 1073643440 /nfs/dbraw/zinc/64/34/40/1073643440.db2.gz IGERGYDPVOMQCE-ORAYPTAESA-N 0 0 438.506 -0.157 20 30 IBEDRN CC1(C)CCC[C@@]2(C1)NC(=O)N(CC(=O)[C@@H](C#N)C(=O)N1CCS(=O)(=O)CC1)C2=O ZINC000768779210 1073643434 /nfs/dbraw/zinc/64/34/34/1073643434.db2.gz IGERGYDPVOMQCE-YJYMSZOUSA-N 0 0 438.506 -0.157 20 30 IBEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)C2(C(N)=O)CCC2)CC1 ZINC000769099029 1073646008 /nfs/dbraw/zinc/64/60/08/1073646008.db2.gz XCFBIMXXIFMQER-UHFFFAOYSA-N 0 0 434.474 -0.410 20 30 IBEDRN CCOC(=O)N1CCN(C(=O)COC(=O)CNS(=O)(=O)c2ccccc2C#N)CC1 ZINC000769198896 1073646709 /nfs/dbraw/zinc/64/67/09/1073646709.db2.gz HDDGCEGXSVDJAP-UHFFFAOYSA-N 0 0 438.462 -0.320 20 30 IBEDRN CCN(C(=O)COC(=O)CNS(=O)(=O)c1ccccc1C#N)[C@H]1CCS(=O)(=O)C1 ZINC000769206689 1073646734 /nfs/dbraw/zinc/64/67/34/1073646734.db2.gz QUYGGIPVHLJIKN-AWEZNQCLSA-N 0 0 443.503 -0.585 20 30 IBEDRN CCN(C(=O)COC(=O)CNS(=O)(=O)c1ccccc1C#N)[C@@H]1CCS(=O)(=O)C1 ZINC000769206692 1073646573 /nfs/dbraw/zinc/64/65/73/1073646573.db2.gz QUYGGIPVHLJIKN-CQSZACIVSA-N 0 0 443.503 -0.585 20 30 IBEDRN CCOC(=O)C1=C(COC(=O)CNS(=O)(=O)c2ccccc2C#N)NC(=O)N[C@@H]1C ZINC000769216594 1073647218 /nfs/dbraw/zinc/64/72/18/1073647218.db2.gz UUEWMIIBLAYJRZ-LLVKDONJSA-N 0 0 436.446 -0.102 20 30 IBEDRN CCOC(=O)C1=C(COC(=O)CNS(=O)(=O)c2ccccc2C#N)NC(=O)N[C@H]1C ZINC000769216597 1073647383 /nfs/dbraw/zinc/64/73/83/1073647383.db2.gz UUEWMIIBLAYJRZ-NSHDSACASA-N 0 0 436.446 -0.102 20 30 IBEDRN O=C(COC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)NCCCN1CCCC1=O ZINC000769243845 1073647245 /nfs/dbraw/zinc/64/72/45/1073647245.db2.gz UAHUWCMFTNJPSC-UHFFFAOYSA-N 0 0 436.490 -0.213 20 30 IBEDRN CC(C)(C)OC(=O)N1CCN(S(=O)(=O)C2CN(C(=O)Cn3cnc(C#N)n3)C2)CC1 ZINC000769248425 1073647341 /nfs/dbraw/zinc/64/73/41/1073647341.db2.gz GMNJBJRLTVNVJE-UHFFFAOYSA-N 0 0 439.498 -0.757 20 30 IBEDRN COC[C@@H](C)NC(=O)NC(=O)COC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 ZINC000769248955 1073647235 /nfs/dbraw/zinc/64/72/35/1073647235.db2.gz XAHAAUONKXJGAK-LLVKDONJSA-N 0 0 426.451 -0.481 20 30 IBEDRN COC[C@H](C)NC(=O)NC(=O)COC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 ZINC000769248956 1073647298 /nfs/dbraw/zinc/64/72/98/1073647298.db2.gz XAHAAUONKXJGAK-NSHDSACASA-N 0 0 426.451 -0.481 20 30 IBEDRN Cn1nccc1CC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000769330803 1073647891 /nfs/dbraw/zinc/64/78/91/1073647891.db2.gz JZKMWNNPMIMONB-UHFFFAOYSA-N 0 0 431.474 -0.089 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cn(C)nc2C(C)(C)C)c(=O)n1CCOC ZINC000769637839 1073650795 /nfs/dbraw/zinc/65/07/95/1073650795.db2.gz VWDVDHIEVFKAGH-UHFFFAOYSA-N 0 0 447.561 -0.147 20 30 IBEDRN CCN(C(=O)COC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000769642112 1073650622 /nfs/dbraw/zinc/65/06/22/1073650622.db2.gz FQCGCRUYTAZZIV-AWEZNQCLSA-N 0 0 443.503 -0.585 20 30 IBEDRN CCN(C(=O)COC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000769642114 1073650730 /nfs/dbraw/zinc/65/07/30/1073650730.db2.gz FQCGCRUYTAZZIV-CQSZACIVSA-N 0 0 443.503 -0.585 20 30 IBEDRN CCOC(=O)N1CCN(C(=O)COC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000769644654 1073650686 /nfs/dbraw/zinc/65/06/86/1073650686.db2.gz XLXFMBOZQFPIND-UHFFFAOYSA-N 0 0 438.462 -0.320 20 30 IBEDRN C#CCn1c(=O)c(=Cc2cn(C)nc2C(C)(C)C)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000769646293 1073650656 /nfs/dbraw/zinc/65/06/56/1073650656.db2.gz DNDCLOMHSNNLBN-UHFFFAOYSA-N 0 0 439.541 -0.064 20 30 IBEDRN C#CCn1c(=O)c(=Cc2cn(C)nc2C(C)(C)C)sc1=C(C#N)C(=O)NCCOC ZINC000769647594 1073651546 /nfs/dbraw/zinc/65/15/46/1073651546.db2.gz QXJGBBLSMOFGPV-UHFFFAOYSA-N 0 0 427.530 -0.160 20 30 IBEDRN C#CCNC(=O)CN1CCN(S(=O)(=O)c2cn(CCCCCC)c(=O)[nH]c2=O)CC1 ZINC000769648166 1073651418 /nfs/dbraw/zinc/65/14/18/1073651418.db2.gz BYVXKASQTCGHKJ-UHFFFAOYSA-N 0 0 439.538 -0.415 20 30 IBEDRN C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(NS(=O)(=O)CC)c(F)c2)CC1 ZINC000769648699 1073651454 /nfs/dbraw/zinc/65/14/54/1073651454.db2.gz GWHKJGLGTYSCKS-UHFFFAOYSA-N 0 0 446.526 -0.357 20 30 IBEDRN COC[C@@H](C)NC(=O)NC(=O)COC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 ZINC000769668420 1073652088 /nfs/dbraw/zinc/65/20/88/1073652088.db2.gz MJTPCTLEXREWLA-GFCCVEGCSA-N 0 0 440.478 -0.091 20 30 IBEDRN COC[C@H](C)NC(=O)NC(=O)COC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 ZINC000769668427 1073651981 /nfs/dbraw/zinc/65/19/81/1073651981.db2.gz MJTPCTLEXREWLA-LBPRGKRZSA-N 0 0 440.478 -0.091 20 30 IBEDRN CCOC(=O)N1CCN(C(=O)COC(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000769761620 1073652771 /nfs/dbraw/zinc/65/27/71/1073652771.db2.gz LEYZCVNMWOPCSN-UHFFFAOYSA-N 0 0 438.462 -0.320 20 30 IBEDRN CCN(C(=O)COC(=O)CNS(=O)(=O)c1cccc(C#N)c1)[C@H]1CCS(=O)(=O)C1 ZINC000769780600 1073653579 /nfs/dbraw/zinc/65/35/79/1073653579.db2.gz COCLPSYUIMAZQR-AWEZNQCLSA-N 0 0 443.503 -0.585 20 30 IBEDRN CCN(C(=O)COC(=O)CNS(=O)(=O)c1cccc(C#N)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000769780601 1073653499 /nfs/dbraw/zinc/65/34/99/1073653499.db2.gz COCLPSYUIMAZQR-CQSZACIVSA-N 0 0 443.503 -0.585 20 30 IBEDRN CCOC(=O)C1=C(COC(=O)CNS(=O)(=O)c2cccc(C#N)c2)NC(=O)N[C@@H]1C ZINC000769800555 1073654220 /nfs/dbraw/zinc/65/42/20/1073654220.db2.gz XKCXKAHHFFFIGS-LLVKDONJSA-N 0 0 436.446 -0.102 20 30 IBEDRN CCOC(=O)C1=C(COC(=O)CNS(=O)(=O)c2cccc(C#N)c2)NC(=O)N[C@H]1C ZINC000769800556 1073654127 /nfs/dbraw/zinc/65/41/27/1073654127.db2.gz XKCXKAHHFFFIGS-NSHDSACASA-N 0 0 436.446 -0.102 20 30 IBEDRN CCn1nc(C=c2sc(=C(C#N)C#N)n(CCNS(C)(=O)=O)c2=O)c2ccccc21 ZINC000769888015 1073656787 /nfs/dbraw/zinc/65/67/87/1073656787.db2.gz YHWSOVYOLAVZDN-UHFFFAOYSA-N 0 0 442.526 -0.145 20 30 IBEDRN COCCCS(=O)(=O)NCC(=O)OCC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000770169022 1073660093 /nfs/dbraw/zinc/66/00/93/1073660093.db2.gz ULXHZKHYWXHXPG-UHFFFAOYSA-N 0 0 443.482 -0.998 20 30 IBEDRN C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(S(=O)(=O)CCCOC)CC2)cc1 ZINC000770334386 1073661562 /nfs/dbraw/zinc/66/15/62/1073661562.db2.gz OHGDUGWOTIIUMA-UHFFFAOYSA-N 0 0 443.547 -0.278 20 30 IBEDRN C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(S(=O)(=O)CCCOC)CC2)c1 ZINC000770334874 1073661575 /nfs/dbraw/zinc/66/15/75/1073661575.db2.gz YYUNNHLOEXHORR-UHFFFAOYSA-N 0 0 443.547 -0.278 20 30 IBEDRN CNS(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)cn1 ZINC000770458203 1073663472 /nfs/dbraw/zinc/66/34/72/1073663472.db2.gz NYSJUYHBAWDCKD-UHFFFAOYSA-N 0 0 448.461 -0.337 20 30 IBEDRN C#CCNC(=O)CN1CCCN(C(=O)c2nccc3c2cccc3S(N)(=O)=O)CC1 ZINC000770482702 1073664538 /nfs/dbraw/zinc/66/45/38/1073664538.db2.gz BUIOPVZXVXKVFG-UHFFFAOYSA-N 0 0 429.502 -0.221 20 30 IBEDRN COc1cc(C=c2sc(=C(C#N)C#N)n(CCS(C)(=O)=O)c2=O)ccc1[N+](=O)[O-] ZINC000770654503 1073666690 /nfs/dbraw/zinc/66/66/90/1073666690.db2.gz IAQGXYWMDKEROH-UHFFFAOYSA-N 0 0 434.455 -0.102 20 30 IBEDRN COc1cc(C=c2sc(=C(C#N)C#N)n(CCNS(C)(=O)=O)c2=O)ccc1[N+](=O)[O-] ZINC000770658084 1073666714 /nfs/dbraw/zinc/66/67/14/1073666714.db2.gz SLYUZAXRDUZIAK-UHFFFAOYSA-N 0 0 449.470 -0.598 20 30 IBEDRN C#CCn1c(=O)c(=Cc2ccc([N+](=O)[O-])c(OC)c2)sc1=C(C#N)C(=O)NCCOC ZINC000770658441 1073666813 /nfs/dbraw/zinc/66/68/13/1073666813.db2.gz VCTWGHTVXCBMRV-UHFFFAOYSA-N 0 0 442.453 -0.275 20 30 IBEDRN C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)sc2Cl)CC1 ZINC000770672933 1073666039 /nfs/dbraw/zinc/66/60/39/1073666039.db2.gz BSNXJBIDHLIHKU-UHFFFAOYSA-N 0 0 439.968 -0.139 20 30 IBEDRN COCCCS(=O)(=O)N1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC000770728788 1073666798 /nfs/dbraw/zinc/66/67/98/1073666798.db2.gz OUIQATJAORSYAT-UHFFFAOYSA-N 0 0 444.535 -0.764 20 30 IBEDRN CCOC(=O)CON=C(C(=O)N1CCN(S(=O)(=O)N(CC)CC)CC1)c1ccn[nH]1 ZINC000770818148 1073669165 /nfs/dbraw/zinc/66/91/65/1073669165.db2.gz DMEBWJFOQORXEI-UHFFFAOYSA-N 0 0 444.514 -0.576 20 30 IBEDRN CCOC(=O)CON=C(C(=O)N1CCN(c2ncnc3c2cnn3C)CC1)c1ccn[nH]1 ZINC000770821414 1073669187 /nfs/dbraw/zinc/66/91/87/1073669187.db2.gz JDTGUGAXMNZSLS-UHFFFAOYSA-N 0 0 441.452 -0.281 20 30 IBEDRN CCOC(=O)CON=C(C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C)c1cc[nH]n1 ZINC000770822289 1073669277 /nfs/dbraw/zinc/66/92/77/1073669277.db2.gz PIPPWBLMJMJAFK-UHFFFAOYSA-N 0 0 429.393 -0.722 20 30 IBEDRN CCOC(=O)CON=C(C(=O)N1CCN(c2cc(C)nc3ncnn32)CC1)c1ccn[nH]1 ZINC000770824741 1073669225 /nfs/dbraw/zinc/66/92/25/1073669225.db2.gz REGFRZYFNMLHQN-UHFFFAOYSA-N 0 0 441.452 -0.212 20 30 IBEDRN CCOC(=O)CON=C(C(=O)N1CCC(C(=O)N2CCN(C)CC2)CC1)c1ccn[nH]1 ZINC000770831339 1073669810 /nfs/dbraw/zinc/66/98/10/1073669810.db2.gz HCCKABHKCUKCOZ-UHFFFAOYSA-N 0 0 434.497 -0.294 20 30 IBEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(c3nccn4cnnc34)[C@@H](C)C2)c1=O ZINC000771175739 1073673235 /nfs/dbraw/zinc/67/32/35/1073673235.db2.gz UAEFLDQVGKKLSK-HNNXBMFYSA-N 0 0 439.480 -0.850 20 30 IBEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(c3nccn4cnnc34)[C@H](C)C2)c1=O ZINC000771175741 1073673252 /nfs/dbraw/zinc/67/32/52/1073673252.db2.gz UAEFLDQVGKKLSK-OAHLLOKOSA-N 0 0 439.480 -0.850 20 30 IBEDRN C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(NS(C)(=O)=O)c(F)c2)CC1 ZINC000771178852 1073673269 /nfs/dbraw/zinc/67/32/69/1073673269.db2.gz XZCHRVKEBAMUMS-UHFFFAOYSA-N 0 0 432.499 -0.747 20 30 IBEDRN C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc(NS(C)(=O)=O)c(F)c2)CC1 ZINC000771183644 1073673284 /nfs/dbraw/zinc/67/32/84/1073673284.db2.gz UELUBQSAVCMJQT-UHFFFAOYSA-N 0 0 446.526 -0.357 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)CN2C(=O)N[C@](C)(c3ccccc3OC)C2=O)CC1 ZINC000771240932 1073673898 /nfs/dbraw/zinc/67/38/98/1073673898.db2.gz BWCZUXVRFLIAAZ-JOCHJYFZSA-N 0 0 443.504 -0.091 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)CN2C(=O)N[C@@](C)(c3ccccc3OC)C2=O)CC1 ZINC000771240934 1073674498 /nfs/dbraw/zinc/67/44/98/1073674498.db2.gz BWCZUXVRFLIAAZ-QFIPXVFZSA-N 0 0 443.504 -0.091 20 30 IBEDRN C[C@@H]1CN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CCN1c1nccn2cnnc12 ZINC000771291948 1073675883 /nfs/dbraw/zinc/67/58/83/1073675883.db2.gz XVIJXPDJYKSTQC-CYBMUJFWSA-N 0 0 440.489 -0.100 20 30 IBEDRN C[C@H]1CN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CCN1c1nccn2cnnc12 ZINC000771291952 1073675844 /nfs/dbraw/zinc/67/58/44/1073675844.db2.gz XVIJXPDJYKSTQC-ZDUSSCGKSA-N 0 0 440.489 -0.100 20 30 IBEDRN C#CCNS(=O)(=O)c1cccc(-c2nc(CC(=O)N3CCS(=O)(=O)CC3)no2)c1 ZINC000771364378 1073677720 /nfs/dbraw/zinc/67/77/20/1073677720.db2.gz GZZYTFHBALMAMC-UHFFFAOYSA-N 0 0 438.487 -0.552 20 30 IBEDRN C#CCNS(=O)(=O)c1ccc(-c2nc(CC(=O)N3CCS(=O)(=O)CC3)no2)cc1 ZINC000771366065 1073677703 /nfs/dbraw/zinc/67/77/03/1073677703.db2.gz SHKVLKUUOVGQLR-UHFFFAOYSA-N 0 0 438.487 -0.552 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)CN2C(=O)N[C@](C)(c3ccccc3OC)C2=O)CC1 ZINC000771451052 1073678844 /nfs/dbraw/zinc/67/88/44/1073678844.db2.gz ILYUGPRJEVCGMP-JOCHJYFZSA-N 0 0 441.488 -0.644 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)CN2C(=O)N[C@@](C)(c3ccccc3OC)C2=O)CC1 ZINC000771451067 1073679030 /nfs/dbraw/zinc/67/90/30/1073679030.db2.gz ILYUGPRJEVCGMP-QFIPXVFZSA-N 0 0 441.488 -0.644 20 30 IBEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC(Oc3ccnc(C(N)=O)c3)CC2)c1=O ZINC000771619177 1073683331 /nfs/dbraw/zinc/68/33/31/1073683331.db2.gz FMZCPTZHTCSVKL-UHFFFAOYSA-N 0 0 442.476 -0.462 20 30 IBEDRN C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(OC)c(C(=O)OC)c2OC)CC1 ZINC000771749920 1073684619 /nfs/dbraw/zinc/68/46/19/1073684619.db2.gz DBGFZNVZXOYVSB-UHFFFAOYSA-N 0 0 439.490 -0.454 20 30 IBEDRN C#CCNC(=O)CN1CCCN(S(=O)(=O)CCNC(=O)OCc2ccccc2)CC1 ZINC000771759151 1073686064 /nfs/dbraw/zinc/68/60/64/1073686064.db2.gz QBXJSDIOWRIXEV-UHFFFAOYSA-N 0 0 436.534 0.000 20 30 IBEDRN N#CCCNC(=O)COC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Br)cc1 ZINC000771788442 1073685096 /nfs/dbraw/zinc/68/50/96/1073685096.db2.gz LNFUZOANSPOVMY-GFCCVEGCSA-N 0 0 434.268 -0.339 20 30 IBEDRN N#CCCNC(=O)COC(=O)[C@H](CO)NS(=O)(=O)c1ccc(Br)cc1 ZINC000771788444 1073685204 /nfs/dbraw/zinc/68/52/04/1073685204.db2.gz LNFUZOANSPOVMY-LBPRGKRZSA-N 0 0 434.268 -0.339 20 30 IBEDRN CCC[NH+]1CCN(c2ccccc2C=N[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CC1 ZINC000771889640 1073687185 /nfs/dbraw/zinc/68/71/85/1073687185.db2.gz BEJJWWRVALLMLW-UHFFFAOYSA-N 0 0 448.549 -0.072 20 30 IBEDRN CN(c1ccccc1C=N[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C1CC[NH+](C)CC1 ZINC000771890864 1073687823 /nfs/dbraw/zinc/68/78/23/1073687823.db2.gz IOLIRDCUBBCWKW-UHFFFAOYSA-N 0 0 448.549 -0.073 20 30 IBEDRN Cn1cc(S(=O)(=O)[N-]N=Cc2ccc(OCC[NH+]3CCCC3)cc2)c(=O)n(C)c1=O ZINC000771891214 1073687247 /nfs/dbraw/zinc/68/72/47/1073687247.db2.gz KFJVAOOGAUGVMK-UHFFFAOYSA-N 0 0 435.506 -0.129 20 30 IBEDRN CCOC(=O)CON=C(C(=O)Nc1ccc2c(c1)N(S(N)(=O)=O)CC2)c1cc[nH]n1 ZINC000772120224 1073689584 /nfs/dbraw/zinc/68/95/84/1073689584.db2.gz BGHSMBMAWHRURF-UHFFFAOYSA-N 0 0 436.450 -0.102 20 30 IBEDRN CCOC(=O)CON=C(C(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1)c1ccn[nH]1 ZINC000772146214 1073690360 /nfs/dbraw/zinc/69/03/60/1073690360.db2.gz OKMZZAIYDMRDOF-KBPBESRZSA-N 0 0 442.494 -0.112 20 30 IBEDRN CCOC(=O)CON=C(C(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1)c1ccn[nH]1 ZINC000772146216 1073690259 /nfs/dbraw/zinc/69/02/59/1073690259.db2.gz OKMZZAIYDMRDOF-KGLIPLIRSA-N 0 0 442.494 -0.112 20 30 IBEDRN CCOC(=O)CON=C(C(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1)c1ccn[nH]1 ZINC000772146217 1073690404 /nfs/dbraw/zinc/69/04/04/1073690404.db2.gz OKMZZAIYDMRDOF-UONOGXRCSA-N 0 0 442.494 -0.112 20 30 IBEDRN CCOC(=O)CON=C(C(=O)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1)c1ccn[nH]1 ZINC000772146218 1073690354 /nfs/dbraw/zinc/69/03/54/1073690354.db2.gz OKMZZAIYDMRDOF-ZIAGYGMSSA-N 0 0 442.494 -0.112 20 30 IBEDRN CCOC(=O)CON=C(C(=O)N1CCN(c2ncccc2C(N)=O)CC1)c1ccn[nH]1 ZINC000772156525 1073690276 /nfs/dbraw/zinc/69/02/76/1073690276.db2.gz RNVJFSGFDPGCJW-UHFFFAOYSA-N 0 0 429.437 -0.464 20 30 IBEDRN CCOC(=O)CON=C(C(=O)NCc1cc(S(N)(=O)=O)ccc1F)c1cc[nH]n1 ZINC000772274865 1073690798 /nfs/dbraw/zinc/69/07/98/1073690798.db2.gz HFZGQSYTLAUXFP-UHFFFAOYSA-N 0 0 427.414 -0.204 20 30 IBEDRN C=Cn1cc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(CCC)c2=O)cn1 ZINC000772275264 1073690748 /nfs/dbraw/zinc/69/07/48/1073690748.db2.gz DANXNOHIFWERIV-UHFFFAOYSA-N 0 0 442.545 -0.432 20 30 IBEDRN C=Cn1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CCCOCC)c2=O)cn1 ZINC000772276208 1073692974 /nfs/dbraw/zinc/69/29/74/1073692974.db2.gz KKSFCSRHUVGGDB-UHFFFAOYSA-N 0 0 443.529 -0.005 20 30 IBEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(C=C)c2)c(=O)n1CCN1CCOCC1 ZINC000772276238 1073693053 /nfs/dbraw/zinc/69/30/53/1073693053.db2.gz BPRUUJQCSCASJN-UHFFFAOYSA-N 0 0 440.529 -0.656 20 30 IBEDRN C=Cn1cc(C=c2sc(=C(C#N)C(=O)NCCC)n(CCN3CCOCC3)c2=O)cn1 ZINC000772276358 1073692993 /nfs/dbraw/zinc/69/29/93/1073692993.db2.gz CNKYZEZFUFBHGC-UHFFFAOYSA-N 0 0 442.545 -0.432 20 30 IBEDRN CCOC(=O)CON=C(C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1)c1cc[nH]n1 ZINC000772277101 1073693570 /nfs/dbraw/zinc/69/35/70/1073693570.db2.gz PZDHNPYORGHMNB-UHFFFAOYSA-N 0 0 433.425 -0.613 20 30 IBEDRN C=CCn1c(=O)c(=Cc2cnn(C=C)c2)sc1=C(C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000772277255 1073693644 /nfs/dbraw/zinc/69/36/44/1073693644.db2.gz NTUWBQUYKDAHDF-UHFFFAOYSA-N 0 0 445.526 -0.847 20 30 IBEDRN C=Cn1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CCN3CCOCC3)c2=O)cn1 ZINC000772277359 1073693659 /nfs/dbraw/zinc/69/36/59/1073693659.db2.gz HTLDPEVCGMPPCW-UHFFFAOYSA-N 0 0 442.545 -0.433 20 30 IBEDRN C=Cn1cc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(CC)c2=O)cn1 ZINC000772277634 1073693087 /nfs/dbraw/zinc/69/30/87/1073693087.db2.gz QCEWRDQLCNXWCG-UHFFFAOYSA-N 0 0 428.518 -0.822 20 30 IBEDRN C=Cn1cc(C=c2sc(=C(C#N)C(=O)NCCOC)n(C[C@@H]3CCCO3)c2=O)cn1 ZINC000772277986 1073693009 /nfs/dbraw/zinc/69/30/09/1073693009.db2.gz JDTPONZMKZETQF-HNNXBMFYSA-N 0 0 429.502 -0.349 20 30 IBEDRN C=Cn1cc(C=c2sc(=C(C#N)C(=O)NCCOC)n(C[C@H]3CCCO3)c2=O)cn1 ZINC000772277989 1073692987 /nfs/dbraw/zinc/69/29/87/1073692987.db2.gz JDTPONZMKZETQF-OAHLLOKOSA-N 0 0 429.502 -0.349 20 30 IBEDRN C=Cn1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C[C@@H]3CCCO3)c2=O)cn1 ZINC000772278018 1073693018 /nfs/dbraw/zinc/69/30/18/1073693018.db2.gz JVWDHZCHGZZOKV-INIZCTEOSA-N 0 0 441.513 -0.252 20 30 IBEDRN C=Cn1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C[C@H]3CCCO3)c2=O)cn1 ZINC000772278021 1073693014 /nfs/dbraw/zinc/69/30/14/1073693014.db2.gz JVWDHZCHGZZOKV-MRXNPFEDSA-N 0 0 441.513 -0.252 20 30 IBEDRN C=CCn1c(=O)c(=Cc2cnn(C=C)c2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000772279431 1073693617 /nfs/dbraw/zinc/69/36/17/1073693617.db2.gz TYQBHWOTSFCNFJ-UHFFFAOYSA-N 0 0 440.529 -0.656 20 30 IBEDRN C=Cn1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCN3CCOCC3)c2=O)cn1 ZINC000772279710 1073693563 /nfs/dbraw/zinc/69/35/63/1073693563.db2.gz QXNHGCCDSCYMMR-UHFFFAOYSA-N 0 0 440.529 -0.679 20 30 IBEDRN C=Cn1cc(C=c2sc(=C(C#N)C(=O)N3CCS(=O)(=O)CC3)n(CCC)c2=O)cn1 ZINC000772279803 1073693602 /nfs/dbraw/zinc/69/36/02/1073693602.db2.gz WXNBGJALIJHUOZ-UHFFFAOYSA-N 0 0 447.542 -0.623 20 30 IBEDRN C=Cn1cc(C=c2sc(=C(C#N)C(=O)N3CCSCC3)n(CCOC)c2=O)cn1 ZINC000772279912 1073693505 /nfs/dbraw/zinc/69/35/05/1073693505.db2.gz SAKFIHUXCNQQGY-UHFFFAOYSA-N 0 0 431.543 -0.068 20 30 IBEDRN C=Cn1cc(C=c2sc(=C(C#N)C(=O)N3CCN(CC)CC3)n(CCOC)c2=O)cn1 ZINC000772280050 1073693673 /nfs/dbraw/zinc/69/36/73/1073693673.db2.gz UKQNZXAOTCEEEI-UHFFFAOYSA-N 0 0 442.545 -0.480 20 30 IBEDRN CCOC(=O)CON=C(C(=O)N1CCCN(CC(=O)N2CCCC2)CC1)c1ccn[nH]1 ZINC000772280340 1073693472 /nfs/dbraw/zinc/69/34/72/1073693472.db2.gz YELMXMROEVGDQP-UHFFFAOYSA-N 0 0 434.497 -0.150 20 30 IBEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(C=C)c2)c(=O)n1CCCC(=O)OC ZINC000772281150 1073693590 /nfs/dbraw/zinc/69/35/90/1073693590.db2.gz MSLUUWVEVNIWDE-UHFFFAOYSA-N 0 0 427.486 -0.035 20 30 IBEDRN CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCCc2nnnn2C)c1 ZINC000772282745 1073693516 /nfs/dbraw/zinc/69/35/16/1073693516.db2.gz BXUBYXVZPLLMMM-QNGOZBTKSA-N 0 0 434.482 -0.680 20 30 IBEDRN CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCCc2nnnn2C)c1 ZINC000772282746 1073693490 /nfs/dbraw/zinc/69/34/90/1073693490.db2.gz BXUBYXVZPLLMMM-RCCKNPSSSA-N 0 0 434.482 -0.680 20 30 IBEDRN C=Cn1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCCC(=O)OC)c2=O)cn1 ZINC000772283030 1073693552 /nfs/dbraw/zinc/69/35/52/1073693552.db2.gz WPODJNIQZOFRIG-UHFFFAOYSA-N 0 0 427.486 -0.058 20 30 IBEDRN CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NCCc2nnnn2C)cc1 ZINC000772286229 1073691429 /nfs/dbraw/zinc/69/14/29/1073691429.db2.gz YRLDTYNFXRJOIW-QNGOZBTKSA-N 0 0 434.482 -0.680 20 30 IBEDRN CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NCCc2nnnn2C)cc1 ZINC000772286231 1073691476 /nfs/dbraw/zinc/69/14/76/1073691476.db2.gz YRLDTYNFXRJOIW-RCCKNPSSSA-N 0 0 434.482 -0.680 20 30 IBEDRN C=Cn1cc(C=c2sc(=C(C#N)C(=O)N3CCS(=O)(=O)CC3)n(C3CC3)c2=O)cn1 ZINC000772297456 1073691973 /nfs/dbraw/zinc/69/19/73/1073691973.db2.gz AJLZKHIDAOABJB-UHFFFAOYSA-N 0 0 445.526 -0.698 20 30 IBEDRN C=Cn1cc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C3CC3)c2=O)cn1 ZINC000772299276 1073691918 /nfs/dbraw/zinc/69/19/18/1073691918.db2.gz IGGLCBBRCXRLJZ-UHFFFAOYSA-N 0 0 440.529 -0.507 20 30 IBEDRN C=Cn1cc(C=c2sc(=C(C#N)C#N)n(Cc3ccc(S(N)(=O)=O)cc3)c2=O)cn1 ZINC000772299656 1073692017 /nfs/dbraw/zinc/69/20/17/1073692017.db2.gz ANZGGRQPVYLESR-UHFFFAOYSA-N 0 0 438.494 -0.071 20 30 IBEDRN C=Cn1cc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(CC(=O)N(C)C)c2=O)cn1 ZINC000772301156 1073692021 /nfs/dbraw/zinc/69/20/21/1073692021.db2.gz BFTPOWBQIXUZIT-UHFFFAOYSA-N 0 0 440.529 -0.143 20 30 IBEDRN C=Cn1cc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CC(=O)N(C)C)c2=O)cn1 ZINC000772301933 1073691988 /nfs/dbraw/zinc/69/19/88/1073691988.db2.gz GPUHOOHQZUTHKE-UHFFFAOYSA-N 0 0 428.518 -0.430 20 30 IBEDRN C=Cn1cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CC(=O)N(C)C)c2=O)cn1 ZINC000772302854 1073691955 /nfs/dbraw/zinc/69/19/55/1073691955.db2.gz LBCPGQPVLPCWGA-UHFFFAOYSA-N 0 0 426.502 -0.580 20 30 IBEDRN C=Cn1cc(C=c2sc(=C(C#N)C(=O)NCCOC)n(-c3cnn(CC)c3)c2=O)cn1 ZINC000772302977 1073691994 /nfs/dbraw/zinc/69/19/94/1073691994.db2.gz NHNKIIRVBQSRHO-UHFFFAOYSA-N 0 0 439.501 -0.322 20 30 IBEDRN C=Cn1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CCOCC)c2=O)cn1 ZINC000772303329 1073691979 /nfs/dbraw/zinc/69/19/79/1073691979.db2.gz OLNZXKNCGJNEFU-UHFFFAOYSA-N 0 0 429.502 -0.395 20 30 IBEDRN C=Cn1cc(C=c2sc(=C(C#N)C(=O)NCCCC)n(CC(=O)N(C)C)c2=O)cn1 ZINC000772304531 1073691964 /nfs/dbraw/zinc/69/19/64/1073691964.db2.gz VJIDZRFQGYNFOH-UHFFFAOYSA-N 0 0 428.518 -0.286 20 30 IBEDRN CCOC(=O)CON=C(C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1)c1cc[nH]n1 ZINC000772304548 1073692008 /nfs/dbraw/zinc/69/20/08/1073692008.db2.gz VKWNQIMJCSANON-UHFFFAOYSA-N 0 0 433.425 -0.613 20 30 IBEDRN C=Cn1cc(C=c2sc(=C(C#N)C(=O)N[C@@H](C)COC)n(CCOCC)c2=O)cn1 ZINC000772305152 1073692523 /nfs/dbraw/zinc/69/25/23/1073692523.db2.gz XUONTJDYRHTXBR-AWEZNQCLSA-N 0 0 431.518 -0.103 20 30 IBEDRN C=Cn1cc(C=c2sc(=C(C#N)C(=O)N[C@H](C)COC)n(CCOCC)c2=O)cn1 ZINC000772305156 1073692487 /nfs/dbraw/zinc/69/24/87/1073692487.db2.gz XUONTJDYRHTXBR-CQSZACIVSA-N 0 0 431.518 -0.103 20 30 IBEDRN C=Cn1cc(C=c2sc(=C(C#N)C(=O)NCCCC)n(CCS(C)(=O)=O)c2=O)cn1 ZINC000772310422 1073692404 /nfs/dbraw/zinc/69/24/04/1073692404.db2.gz AGAFIUGJIXYJGT-UHFFFAOYSA-N 0 0 449.558 -0.329 20 30 IBEDRN C=Cn1cc(C=c2sc(=C(C#N)C(=O)NCCC)n(CCS(C)(=O)=O)c2=O)cn1 ZINC000772310428 1073692499 /nfs/dbraw/zinc/69/24/99/1073692499.db2.gz AJCWFNLVDHDDMC-UHFFFAOYSA-N 0 0 435.531 -0.719 20 30 IBEDRN C=Cn1cc(C=c2sc(=C(C#N)C(=O)NCCOC)n(C[C@@H]3CCOC3)c2=O)cn1 ZINC000772310498 1073692419 /nfs/dbraw/zinc/69/24/19/1073692419.db2.gz DZZIMNHWACEJMX-AWEZNQCLSA-N 0 0 429.502 -0.491 20 30 IBEDRN C=Cn1cc(C=c2sc(=C(C#N)C(=O)NCCOC)n(C[C@H]3CCOC3)c2=O)cn1 ZINC000772310500 1073692527 /nfs/dbraw/zinc/69/25/27/1073692527.db2.gz DZZIMNHWACEJMX-CQSZACIVSA-N 0 0 429.502 -0.491 20 30 IBEDRN C=Cn1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CCSC)c2=O)cn1 ZINC000772310714 1073692483 /nfs/dbraw/zinc/69/24/83/1073692483.db2.gz IQBGJZHCQYWRJV-UHFFFAOYSA-N 0 0 431.543 -0.068 20 30 IBEDRN C=Cn1cc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CCNS(C)(=O)=O)c2=O)cn1 ZINC000772310791 1073692442 /nfs/dbraw/zinc/69/24/42/1073692442.db2.gz CVOGVOMFHGXBFU-UHFFFAOYSA-N 0 0 435.531 -0.516 20 30 IBEDRN C=Cn1cc(C=c2sc(=C(C#N)C(=O)NCCCOC)n(C[C@@H]3CCOC3)c2=O)cn1 ZINC000772311032 1073692431 /nfs/dbraw/zinc/69/24/31/1073692431.db2.gz JNFWPGQXRNHNIG-HNNXBMFYSA-N 0 0 443.529 -0.101 20 30 IBEDRN C=Cn1cc(C=c2sc(=C(C#N)C(=O)NCCCOC)n(C[C@H]3CCOC3)c2=O)cn1 ZINC000772311035 1073692517 /nfs/dbraw/zinc/69/25/17/1073692517.db2.gz JNFWPGQXRNHNIG-OAHLLOKOSA-N 0 0 443.529 -0.101 20 30 IBEDRN Cn1cc(C=c2sc(=C(C#N)C(=O)c3cc(F)cc(F)c3)n(CC(N)=O)c2=O)cn1 ZINC000772311525 1073692540 /nfs/dbraw/zinc/69/25/40/1073692540.db2.gz DPPNMQLWFLKRSB-UHFFFAOYSA-N 0 0 429.408 -0.207 20 30 IBEDRN C=Cn1cc(C=c2sc(=C(C#N)C(=O)N[C@H](C)COC)n(Cc3ccon3)c2=O)cn1 ZINC000772311688 1073692530 /nfs/dbraw/zinc/69/25/30/1073692530.db2.gz PPRXJIQXFIGNGI-CYBMUJFWSA-N 0 0 440.485 -0.103 20 30 IBEDRN C=Cn1cc(C=c2sc(=C(C#N)C(=O)N[C@@H](C)COC)n(Cc3ccon3)c2=O)cn1 ZINC000772311700 1073692476 /nfs/dbraw/zinc/69/24/76/1073692476.db2.gz PPRXJIQXFIGNGI-ZDUSSCGKSA-N 0 0 440.485 -0.103 20 30 IBEDRN C=Cn1cc(C=c2sc(=C(C#N)C(=O)NCCOC)n(Cc3ccon3)c2=O)cn1 ZINC000772312203 1073693062 /nfs/dbraw/zinc/69/30/62/1073693062.db2.gz RSOBJXLNXKTYMZ-UHFFFAOYSA-N 0 0 426.458 -0.491 20 30 IBEDRN C=Cn1cc(C=c2sc(=C(C#N)C(=O)NCCCOC)n(Cc3ccon3)c2=O)cn1 ZINC000772312337 1073693022 /nfs/dbraw/zinc/69/30/22/1073693022.db2.gz UGPJNYOSOVUQOL-UHFFFAOYSA-N 0 0 440.485 -0.101 20 30 IBEDRN C=Cn1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(Cc3ccon3)c2=O)cn1 ZINC000772312760 1073692512 /nfs/dbraw/zinc/69/25/12/1073692512.db2.gz WTNRBWMBSXBRDC-UHFFFAOYSA-N 0 0 438.469 -0.395 20 30 IBEDRN C=Cn1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C[C@@H]3CCOC3)c2=O)cn1 ZINC000772312783 1073692520 /nfs/dbraw/zinc/69/25/20/1073692520.db2.gz WZNGVSDWGKHDEL-HNNXBMFYSA-N 0 0 441.513 -0.395 20 30 IBEDRN C=Cn1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C[C@H]3CCOC3)c2=O)cn1 ZINC000772312784 1073692506 /nfs/dbraw/zinc/69/25/06/1073692506.db2.gz WZNGVSDWGKHDEL-OAHLLOKOSA-N 0 0 441.513 -0.395 20 30 IBEDRN C=Cn1cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CCS(C)(=O)=O)c2=O)cn1 ZINC000772312838 1073692533 /nfs/dbraw/zinc/69/25/33/1073692533.db2.gz JKSPFJJNYMXHNR-UHFFFAOYSA-N 0 0 447.542 -0.623 20 30 IBEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(C=C)c2)c(=O)n1CCS(C)(=O)=O ZINC000772313651 1073692923 /nfs/dbraw/zinc/69/29/23/1073692923.db2.gz LQCNQRHNBZYIKU-UHFFFAOYSA-N 0 0 433.515 -0.943 20 30 IBEDRN C=Cn1cc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(CCNS(C)(=O)=O)c2=O)cn1 ZINC000772313684 1073693000 /nfs/dbraw/zinc/69/30/00/1073693000.db2.gz MQOPUEKQORXJKI-UHFFFAOYSA-N 0 0 449.558 -0.126 20 30 IBEDRN C=Cn1cc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(CCNS(C)(=O)=O)c2=O)cn1 ZINC000772313701 1073693104 /nfs/dbraw/zinc/69/31/04/1073693104.db2.gz NMBRURDIHRSRFF-UHFFFAOYSA-N 0 0 449.558 -0.126 20 30 IBEDRN C=Cn1cc(C=c2sc(=C(C#N)C(=O)N(C)c3ccccc3)n(CC(N)=O)c2=O)cn1 ZINC000772314667 1073693031 /nfs/dbraw/zinc/69/30/31/1073693031.db2.gz OPZPLIQYRQIPEJ-UHFFFAOYSA-N 0 0 434.481 -0.142 20 30 IBEDRN C=Cn1cc(C=c2sc(=C(C#N)C(=O)[C@H](C)CC)n(CCNS(C)(=O)=O)c2=O)cn1 ZINC000772314778 1073693108 /nfs/dbraw/zinc/69/31/08/1073693108.db2.gz PEBJTLUGKGNGIH-CYBMUJFWSA-N 0 0 449.558 -0.126 20 30 IBEDRN C=Cn1cc(C=c2sc(=C(C#N)C(=O)[C@@H](C)CC)n(CCNS(C)(=O)=O)c2=O)cn1 ZINC000772314782 1073693046 /nfs/dbraw/zinc/69/30/46/1073693046.db2.gz PEBJTLUGKGNGIH-ZDUSSCGKSA-N 0 0 449.558 -0.126 20 30 IBEDRN C=Cn1cc(C=c2sc(=C(C#N)C(=O)c3ccc4c(c3)OCO4)n(CC(N)=O)c2=O)cn1 ZINC000772314901 1073693095 /nfs/dbraw/zinc/69/30/95/1073693095.db2.gz QDJSUKSTVCEGDK-UHFFFAOYSA-N 0 0 449.448 -0.193 20 30 IBEDRN C=Cn1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CCS(C)(=O)=O)c2=O)cn1 ZINC000772316562 1073693070 /nfs/dbraw/zinc/69/30/70/1073693070.db2.gz SKZWKPPRRLNKMK-UHFFFAOYSA-N 0 0 435.531 -0.721 20 30 IBEDRN C=Cn1cc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CCS(C)(=O)=O)c2=O)cn1 ZINC000772316584 1073693081 /nfs/dbraw/zinc/69/30/81/1073693081.db2.gz SQRSCOZLNWRDLO-UHFFFAOYSA-N 0 0 449.558 -0.473 20 30 IBEDRN C=Cn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCNS(C)(=O)=O)c2=O)cn1 ZINC000772318851 1073692937 /nfs/dbraw/zinc/69/29/37/1073692937.db2.gz VLYCVQMGUKRJPV-UHFFFAOYSA-N 0 0 447.542 -0.372 20 30 IBEDRN CCOC(=O)CON=C(C(=O)N1CCN(c2nccn3cnnc23)[C@H](C)C1)c1ccn[nH]1 ZINC000772434785 1073695436 /nfs/dbraw/zinc/69/54/36/1073695436.db2.gz HKXADSJMSOREPW-CYBMUJFWSA-N 0 0 441.452 -0.132 20 30 IBEDRN CCOC(=O)CON=C(C(=O)N1CCN(c2nccn3cnnc23)[C@@H](C)C1)c1ccn[nH]1 ZINC000772434786 1073695471 /nfs/dbraw/zinc/69/54/71/1073695471.db2.gz HKXADSJMSOREPW-ZDUSSCGKSA-N 0 0 441.452 -0.132 20 30 IBEDRN CN1CC[C@H](C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1=O ZINC000772518432 1073696008 /nfs/dbraw/zinc/69/60/08/1073696008.db2.gz LFYJRKYWNMNQGE-HNNXBMFYSA-N 0 0 434.474 -0.587 20 30 IBEDRN CN1CC[C@@H](C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1=O ZINC000772518434 1073696122 /nfs/dbraw/zinc/69/61/22/1073696122.db2.gz LFYJRKYWNMNQGE-OAHLLOKOSA-N 0 0 434.474 -0.587 20 30 IBEDRN CCOC(=O)CON=C(C(=O)N1CCC(N2CCS(=O)(=O)CC2)CC1)c1ccn[nH]1 ZINC000772520893 1073696033 /nfs/dbraw/zinc/69/60/33/1073696033.db2.gz CBTWPESYKGALQK-UHFFFAOYSA-N 0 0 441.510 -0.585 20 30 IBEDRN CCOC(=O)CON=C(C(=O)N[C@@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1)c1cc[nH]n1 ZINC000772529060 1073696780 /nfs/dbraw/zinc/69/67/80/1073696780.db2.gz CEOFAWMWIHLRPR-PXAZEXFGSA-N 0 0 428.467 -0.454 20 30 IBEDRN CCOC(=O)CON=C(C(=O)N[C@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1)c1cc[nH]n1 ZINC000772529061 1073696627 /nfs/dbraw/zinc/69/66/27/1073696627.db2.gz CEOFAWMWIHLRPR-SJCJKPOMSA-N 0 0 428.467 -0.454 20 30 IBEDRN CCOC(=O)CON=C(C(=O)N[C@@H]1CCO[C@]2(CCS(=O)(=O)C2)C1)c1cc[nH]n1 ZINC000772529062 1073696815 /nfs/dbraw/zinc/69/68/15/1073696815.db2.gz CEOFAWMWIHLRPR-SJKOYZFVSA-N 0 0 428.467 -0.454 20 30 IBEDRN CCOC(=O)CON=C(C(=O)N[C@H]1CCO[C@]2(CCS(=O)(=O)C2)C1)c1cc[nH]n1 ZINC000772529063 1073696733 /nfs/dbraw/zinc/69/67/33/1073696733.db2.gz CEOFAWMWIHLRPR-YVEFUNNKSA-N 0 0 428.467 -0.454 20 30 IBEDRN CCOC(=O)CON=C(C(=O)N1CC(S(=O)(=O)NC2CCCC2)C1)c1ccn[nH]1 ZINC000772540035 1073697536 /nfs/dbraw/zinc/69/75/36/1073697536.db2.gz HRNYVNMRXQTLIW-UHFFFAOYSA-N 0 0 427.483 -0.234 20 30 IBEDRN CCOC(=O)CON=C(C(=O)N[C@H]1CCCN(Cc2nccn2C)C1=O)c1cc[nH]n1 ZINC000772544995 1073697604 /nfs/dbraw/zinc/69/76/04/1073697604.db2.gz RFJASKBWDORIOI-AWEZNQCLSA-N 0 0 431.453 -0.266 20 30 IBEDRN CCOC(=O)CON=C(C(=O)N[C@@H]1CCCN(Cc2nccn2C)C1=O)c1cc[nH]n1 ZINC000772545047 1073697664 /nfs/dbraw/zinc/69/76/64/1073697664.db2.gz RFJASKBWDORIOI-CQSZACIVSA-N 0 0 431.453 -0.266 20 30 IBEDRN CCOC(=O)CON=C(C(=O)N1CCC[C@@H](n2cc(C(=O)OC)nn2)C1)c1ccn[nH]1 ZINC000772545545 1073697657 /nfs/dbraw/zinc/69/76/57/1073697657.db2.gz FRZQAYAXBSSPSR-GFCCVEGCSA-N 0 0 433.425 -0.065 20 30 IBEDRN CCOC(=O)CON=C(C(=O)N1CCC[C@H](n2cc(C(=O)OC)nn2)C1)c1ccn[nH]1 ZINC000772545549 1073697628 /nfs/dbraw/zinc/69/76/28/1073697628.db2.gz FRZQAYAXBSSPSR-LBPRGKRZSA-N 0 0 433.425 -0.065 20 30 IBEDRN CCOC(=O)CON=C(C(=O)NCC1CCN(S(=O)(=O)CC)CC1)c1cc[nH]n1 ZINC000772547452 1073697524 /nfs/dbraw/zinc/69/75/24/1073697524.db2.gz JJZYVJPRXVUWOI-UHFFFAOYSA-N 0 0 429.499 -0.129 20 30 IBEDRN CCOC(=O)CON=C(C(=O)N1CCC(n2cc(C(=O)OC)nn2)CC1)c1ccn[nH]1 ZINC000772549451 1073697640 /nfs/dbraw/zinc/69/76/40/1073697640.db2.gz QTMWXTIRHXIHHP-UHFFFAOYSA-N 0 0 433.425 -0.065 20 30 IBEDRN CCOC(=O)CNC(=O)C1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC000772569081 1073697491 /nfs/dbraw/zinc/69/74/91/1073697491.db2.gz OTGOCQOQNYGGMN-UHFFFAOYSA-N 0 0 436.490 -0.357 20 30 IBEDRN COc1cc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)nn1C ZINC000772636040 1073697582 /nfs/dbraw/zinc/69/75/82/1073697582.db2.gz PNNYMXRUELQMIM-UHFFFAOYSA-N 0 0 447.473 -0.010 20 30 IBEDRN CCOC(=O)CON=C(C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1)c1ccn[nH]1 ZINC000772636810 1073697508 /nfs/dbraw/zinc/69/75/08/1073697508.db2.gz WLQWAOZVBUIQJD-UHFFFAOYSA-N 0 0 428.453 -0.044 20 30 IBEDRN COC(=O)Cn1cc(C(C)N=Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)nn1 ZINC000772837364 1073829990 /nfs/dbraw/zinc/82/99/90/1073829990.db2.gz RZOYOXGWHFMRBN-UHFFFAOYSA-N 0 0 436.498 -0.382 20 30 IBEDRN COC(=O)Cn1cc(C(C)N=Nc2ncccc2S(=O)(=O)N2CCN(C)CC2)nn1 ZINC000772844758 1073875176 /nfs/dbraw/zinc/87/51/76/1073875176.db2.gz MCOWDZNOUNEQGS-UHFFFAOYSA-N 0 0 436.498 -0.382 20 30 IBEDRN O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCCNS(=O)(=O)c1cccnc1 ZINC000773070769 1074116756 /nfs/dbraw/zinc/11/67/56/1074116756.db2.gz RCKUVSGNVLXGDH-UHFFFAOYSA-N 0 0 437.503 -0.395 20 30 IBEDRN C#CCOc1ccccc1NC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000773218399 1074119816 /nfs/dbraw/zinc/11/98/16/1074119816.db2.gz FTHXNKAVJBFFGZ-UHFFFAOYSA-N 0 0 428.445 -0.833 20 30 IBEDRN C#CCOc1ccccc1NC(=O)C(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000773234258 1074120552 /nfs/dbraw/zinc/12/05/52/1074120552.db2.gz JXOWPWVJMIQMST-UHFFFAOYSA-N 0 0 449.533 -0.727 20 30 IBEDRN C#CCOc1ccccc1NC(=O)C(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000773236846 1074120579 /nfs/dbraw/zinc/12/05/79/1074120579.db2.gz SBWRCXWUIVGGCQ-UHFFFAOYSA-N 0 0 436.490 -0.642 20 30 IBEDRN C#CCOc1ccccc1NC(=O)C(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC000773242424 1074120649 /nfs/dbraw/zinc/12/06/49/1074120649.db2.gz WELCVPNXJYIGFO-UHFFFAOYSA-N 0 0 426.429 -0.543 20 30 IBEDRN C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC(n3cnc(C(N)=O)c3N)CC2)c1 ZINC000773494882 1074139023 /nfs/dbraw/zinc/13/90/23/1074139023.db2.gz BBIXCVPKASYALA-UHFFFAOYSA-N 0 0 430.490 -0.047 20 30 IBEDRN C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC(n3cnc(C(N)=O)c3N)CC2)cc1 ZINC000773495839 1074139562 /nfs/dbraw/zinc/13/95/62/1074139562.db2.gz ILUZFLWWWBOXRI-UHFFFAOYSA-N 0 0 430.490 -0.047 20 30 IBEDRN COCCO[C@@H]1C[C@@H](CO)CN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1 ZINC000773657303 1074160550 /nfs/dbraw/zinc/16/05/50/1074160550.db2.gz YXMHQONMRZKQHC-HUUCEWRRSA-N 0 0 425.507 -0.012 20 30 IBEDRN COCCO[C@@H]1C[C@H](CO)CN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1 ZINC000773657304 1074160515 /nfs/dbraw/zinc/16/05/15/1074160515.db2.gz YXMHQONMRZKQHC-LSDHHAIUSA-N 0 0 425.507 -0.012 20 30 IBEDRN C#CCNS(=O)(=O)c1cccc(C(=O)N2CCOC[C@H]2C(=O)NCC(=O)OCC)c1 ZINC000773672258 1074163499 /nfs/dbraw/zinc/16/34/99/1074163499.db2.gz CIBXQNLSRVWHMW-INIZCTEOSA-N 0 0 437.474 -0.882 20 30 IBEDRN C#CCNS(=O)(=O)c1cccc(C(=O)N2CCOC[C@@H]2C(=O)NCC(=O)OCC)c1 ZINC000773672261 1074163368 /nfs/dbraw/zinc/16/33/68/1074163368.db2.gz CIBXQNLSRVWHMW-MRXNPFEDSA-N 0 0 437.474 -0.882 20 30 IBEDRN C#CCNS(=O)(=O)c1ccc(C(=O)N2CCOC[C@H]2C(=O)NCC(=O)OCC)cc1 ZINC000773673095 1074163344 /nfs/dbraw/zinc/16/33/44/1074163344.db2.gz FKRLATLCBHNXNB-INIZCTEOSA-N 0 0 437.474 -0.882 20 30 IBEDRN C#CCNS(=O)(=O)c1ccc(C(=O)N2CCOC[C@@H]2C(=O)NCC(=O)OCC)cc1 ZINC000773673097 1074163307 /nfs/dbraw/zinc/16/33/07/1074163307.db2.gz FKRLATLCBHNXNB-MRXNPFEDSA-N 0 0 437.474 -0.882 20 30 IBEDRN C#C[C@@H](NC(=O)C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1)[C@@H]1CCCO1 ZINC000773791285 1074182557 /nfs/dbraw/zinc/18/25/57/1074182557.db2.gz GSOXOAYKNCNWAS-CVEARBPZSA-N 0 0 435.506 -0.601 20 30 IBEDRN C#C[C@H](NC(=O)C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1)[C@@H]1CCCO1 ZINC000773791288 1074182650 /nfs/dbraw/zinc/18/26/50/1074182650.db2.gz GSOXOAYKNCNWAS-HOTGVXAUSA-N 0 0 435.506 -0.601 20 30 IBEDRN C#C[C@@H](NC(=O)C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1)[C@H]1CCCO1 ZINC000773791290 1074182637 /nfs/dbraw/zinc/18/26/37/1074182637.db2.gz GSOXOAYKNCNWAS-HZPDHXFCSA-N 0 0 435.506 -0.601 20 30 IBEDRN C#C[C@H](NC(=O)C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1)[C@H]1CCCO1 ZINC000773791293 1074182643 /nfs/dbraw/zinc/18/26/43/1074182643.db2.gz GSOXOAYKNCNWAS-JKSUJKDBSA-N 0 0 435.506 -0.601 20 30 IBEDRN C#C[C@@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)[C@@H]1CCCO1 ZINC000773792690 1074180607 /nfs/dbraw/zinc/18/06/07/1074180607.db2.gz FDLZXGGVNMBVGD-CVEARBPZSA-N 0 0 434.474 -0.957 20 30 IBEDRN C#C[C@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)[C@@H]1CCCO1 ZINC000773792693 1074180587 /nfs/dbraw/zinc/18/05/87/1074180587.db2.gz FDLZXGGVNMBVGD-HOTGVXAUSA-N 0 0 434.474 -0.957 20 30 IBEDRN C#C[C@@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)[C@H]1CCCO1 ZINC000773792696 1074180675 /nfs/dbraw/zinc/18/06/75/1074180675.db2.gz FDLZXGGVNMBVGD-HZPDHXFCSA-N 0 0 434.474 -0.957 20 30 IBEDRN C#C[C@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)[C@H]1CCCO1 ZINC000773792697 1074180729 /nfs/dbraw/zinc/18/07/29/1074180729.db2.gz FDLZXGGVNMBVGD-JKSUJKDBSA-N 0 0 434.474 -0.957 20 30 IBEDRN C#C[C@@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCN(C)CC2)c1)[C@@H]1CCCO1 ZINC000773794213 1074180611 /nfs/dbraw/zinc/18/06/11/1074180611.db2.gz XJPBXAKBFPFSMD-MSOLQXFVSA-N 0 0 434.518 -0.142 20 30 IBEDRN C#C[C@@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCN(C)CC2)c1)[C@H]1CCCO1 ZINC000773794215 1074181225 /nfs/dbraw/zinc/18/12/25/1074181225.db2.gz XJPBXAKBFPFSMD-QZTJIDSGSA-N 0 0 434.518 -0.142 20 30 IBEDRN C#C[C@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCN(C)CC2)c1)[C@@H]1CCCO1 ZINC000773794217 1074181257 /nfs/dbraw/zinc/18/12/57/1074181257.db2.gz XJPBXAKBFPFSMD-ROUUACIJSA-N 0 0 434.518 -0.142 20 30 IBEDRN C#C[C@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCN(C)CC2)c1)[C@H]1CCCO1 ZINC000773794221 1074181160 /nfs/dbraw/zinc/18/11/60/1074181160.db2.gz XJPBXAKBFPFSMD-ZWKOTPCHSA-N 0 0 434.518 -0.142 20 30 IBEDRN C#C[C@H](NC(=O)C(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21)[C@@H]1CCCO1 ZINC000773795647 1074181190 /nfs/dbraw/zinc/18/11/90/1074181190.db2.gz WIUMYMRZTBDYTH-IEZWGBDMSA-N 0 0 427.457 -0.064 20 30 IBEDRN C#C[C@H](NC(=O)C(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21)[C@H]1CCCO1 ZINC000773795649 1074181210 /nfs/dbraw/zinc/18/12/10/1074181210.db2.gz WIUMYMRZTBDYTH-KVSKMBFKSA-N 0 0 427.457 -0.064 20 30 IBEDRN C#C[C@H](NC(=O)C(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21)[C@@H]1CCCO1 ZINC000773795651 1074181205 /nfs/dbraw/zinc/18/12/05/1074181205.db2.gz WIUMYMRZTBDYTH-VDZJLULYSA-N 0 0 427.457 -0.064 20 30 IBEDRN C#C[C@H](NC(=O)C(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21)[C@H]1CCCO1 ZINC000773795654 1074181292 /nfs/dbraw/zinc/18/12/92/1074181292.db2.gz WIUMYMRZTBDYTH-WDYCEAGBSA-N 0 0 427.457 -0.064 20 30 IBEDRN C#C[C@@H](NC(=O)C(=O)Nc1ccc(C(=O)NCCN2CCOCC2)cc1)[C@@H]1CCCO1 ZINC000773798405 1074182554 /nfs/dbraw/zinc/18/25/54/1074182554.db2.gz UCUWTFWYWSSUKY-MOPGFXCFSA-N 0 0 428.489 -0.016 20 30 IBEDRN C#C[C@H](NC(=O)C(=O)Nc1ccc(C(=O)NCCN2CCOCC2)cc1)[C@@H]1CCCO1 ZINC000773798407 1074182673 /nfs/dbraw/zinc/18/26/73/1074182673.db2.gz UCUWTFWYWSSUKY-OALUTQOASA-N 0 0 428.489 -0.016 20 30 IBEDRN C#C[C@H](NC(=O)C(=O)Nc1ccc(C(=O)NCCN2CCOCC2)cc1)[C@H]1CCCO1 ZINC000773798410 1074182604 /nfs/dbraw/zinc/18/26/04/1074182604.db2.gz UCUWTFWYWSSUKY-RBUKOAKNSA-N 0 0 428.489 -0.016 20 30 IBEDRN C#C[C@@H](NC(=O)C(=O)Nc1ccc(C(=O)NCCN2CCOCC2)cc1)[C@H]1CCCO1 ZINC000773798415 1074182507 /nfs/dbraw/zinc/18/25/07/1074182507.db2.gz UCUWTFWYWSSUKY-RTBURBONSA-N 0 0 428.489 -0.016 20 30 IBEDRN C#C[C@@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1)[C@@H]1CCCO1 ZINC000773800812 1074182623 /nfs/dbraw/zinc/18/26/23/1074182623.db2.gz WDGZEYCBVNVGKI-MSOLQXFVSA-N 0 0 434.518 -0.142 20 30 IBEDRN C#C[C@@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1)[C@H]1CCCO1 ZINC000773800815 1074182533 /nfs/dbraw/zinc/18/25/33/1074182533.db2.gz WDGZEYCBVNVGKI-QZTJIDSGSA-N 0 0 434.518 -0.142 20 30 IBEDRN C#C[C@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1)[C@@H]1CCCO1 ZINC000773800819 1074182678 /nfs/dbraw/zinc/18/26/78/1074182678.db2.gz WDGZEYCBVNVGKI-ROUUACIJSA-N 0 0 434.518 -0.142 20 30 IBEDRN C#C[C@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1)[C@H]1CCCO1 ZINC000773800822 1074182522 /nfs/dbraw/zinc/18/25/22/1074182522.db2.gz WDGZEYCBVNVGKI-ZWKOTPCHSA-N 0 0 434.518 -0.142 20 30 IBEDRN C#CCNC(=O)CN1CCCN(C(=O)C2=NN(c3ccc(F)cc3)C(=O)CC2=O)CC1 ZINC000773931610 1074214106 /nfs/dbraw/zinc/21/41/06/1074214106.db2.gz JOGNXPRVRHUTMJ-UHFFFAOYSA-N 0 0 427.436 -0.229 20 30 IBEDRN C#CCN(C(=O)NCc1ccc(S(=O)(=O)NCCOC)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000774173764 1074223529 /nfs/dbraw/zinc/22/35/29/1074223529.db2.gz ZXUBFHJWIYQTOM-INIZCTEOSA-N 0 0 443.547 -0.057 20 30 IBEDRN C#CCN(C(=O)NCc1ccc(S(=O)(=O)NCCOC)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000774173765 1074223580 /nfs/dbraw/zinc/22/35/80/1074223580.db2.gz ZXUBFHJWIYQTOM-MRXNPFEDSA-N 0 0 443.547 -0.057 20 30 IBEDRN C#CCN(C(=O)NCCC(=O)N1CCN(c2ccccn2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000774187492 1074223552 /nfs/dbraw/zinc/22/35/52/1074223552.db2.gz OLRLWBMABNDPHZ-KRWDZBQOSA-N 0 0 433.534 -0.048 20 30 IBEDRN C#CCN(C(=O)NCCC(=O)N1CCN(c2ccccn2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000774187494 1074223466 /nfs/dbraw/zinc/22/34/66/1074223466.db2.gz OLRLWBMABNDPHZ-QGZVFWFLSA-N 0 0 433.534 -0.048 20 30 IBEDRN C#CCN(C(=O)NCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000774190151 1074224037 /nfs/dbraw/zinc/22/40/37/1074224037.db2.gz YUCQEYBASJRUFB-HNNXBMFYSA-N 0 0 442.538 -0.102 20 30 IBEDRN C#CCN(C(=O)NCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000774190152 1074224054 /nfs/dbraw/zinc/22/40/54/1074224054.db2.gz YUCQEYBASJRUFB-OAHLLOKOSA-N 0 0 442.538 -0.102 20 30 IBEDRN C#CCN(C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 ZINC000774193834 1074224000 /nfs/dbraw/zinc/22/40/00/1074224000.db2.gz ABDRIUZAMSMGSY-AWEZNQCLSA-N 0 0 444.491 -0.295 20 30 IBEDRN C#CCN(C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 ZINC000774193835 1074223893 /nfs/dbraw/zinc/22/38/93/1074223893.db2.gz ABDRIUZAMSMGSY-CQSZACIVSA-N 0 0 444.491 -0.295 20 30 IBEDRN C#CCN(C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000774195947 1074223982 /nfs/dbraw/zinc/22/39/82/1074223982.db2.gz GGJRQRUORCWIKR-INIZCTEOSA-N 0 0 434.522 -0.653 20 30 IBEDRN C#CCN(C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000774195949 1074223926 /nfs/dbraw/zinc/22/39/26/1074223926.db2.gz GGJRQRUORCWIKR-MRXNPFEDSA-N 0 0 434.522 -0.653 20 30 IBEDRN C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(OC)c(NS(C)(=O)=O)c2)CC1 ZINC000774196343 1074223942 /nfs/dbraw/zinc/22/39/42/1074223942.db2.gz JNTQPRIYUOSGCT-UHFFFAOYSA-N 0 0 436.490 -0.007 20 30 IBEDRN C#CCN(C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCS(=O)(=O)C1 ZINC000774197624 1074223934 /nfs/dbraw/zinc/22/39/34/1074223934.db2.gz ZOOCWTLWTFRPCY-AWEZNQCLSA-N 0 0 444.491 -0.295 20 30 IBEDRN C#CCN(C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000774197625 1074223915 /nfs/dbraw/zinc/22/39/15/1074223915.db2.gz ZOOCWTLWTFRPCY-CQSZACIVSA-N 0 0 444.491 -0.295 20 30 IBEDRN C#CCN(C(=O)NCc1ccccc1S(=O)(=O)N(C)CCO)[C@H]1CCS(=O)(=O)C1 ZINC000774214657 1074224983 /nfs/dbraw/zinc/22/49/83/1074224983.db2.gz APWVXKXNUXNOAJ-INIZCTEOSA-N 0 0 443.547 -0.369 20 30 IBEDRN C#CCN(C(=O)NCc1ccccc1S(=O)(=O)N(C)CCO)[C@@H]1CCS(=O)(=O)C1 ZINC000774214660 1074225018 /nfs/dbraw/zinc/22/50/18/1074225018.db2.gz APWVXKXNUXNOAJ-MRXNPFEDSA-N 0 0 443.547 -0.369 20 30 IBEDRN C#CCN(C(=O)NCc1cccc(S(=O)(=O)NCCOC)c1)[C@H]1CCS(=O)(=O)C1 ZINC000774218801 1074224837 /nfs/dbraw/zinc/22/48/37/1074224837.db2.gz NDDPRPZJSRTNLM-INIZCTEOSA-N 0 0 443.547 -0.057 20 30 IBEDRN C#CCN(C(=O)NCc1cccc(S(=O)(=O)NCCOC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000774218807 1074224775 /nfs/dbraw/zinc/22/47/75/1074224775.db2.gz NDDPRPZJSRTNLM-MRXNPFEDSA-N 0 0 443.547 -0.057 20 30 IBEDRN C#CCN(C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000774221872 1074225039 /nfs/dbraw/zinc/22/50/39/1074225039.db2.gz XNOMUCIEGRNALI-CYBMUJFWSA-N 0 0 444.491 -0.295 20 30 IBEDRN C#CCN(C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000774221873 1074224887 /nfs/dbraw/zinc/22/48/87/1074224887.db2.gz XNOMUCIEGRNALI-ZDUSSCGKSA-N 0 0 444.491 -0.295 20 30 IBEDRN Cn1c2ncn(CCC(=O)OC3(C#N)CN(C(=O)OC(C)(C)C)C3)c2c(=O)n(C)c1=O ZINC000774240920 1074224595 /nfs/dbraw/zinc/22/45/95/1074224595.db2.gz RWVFEWDCMDGUFK-UHFFFAOYSA-N 0 0 432.437 -0.120 20 30 IBEDRN CS(=O)(=O)N(c1ccc(OCCNC(=O)N2CCO[C@@H](C#N)C2)cc1)S(C)(=O)=O ZINC000774302429 1074226287 /nfs/dbraw/zinc/22/62/87/1074226287.db2.gz IULRRUYDMPMGML-HNNXBMFYSA-N 0 0 446.507 -0.275 20 30 IBEDRN CS(=O)(=O)N(c1ccc(OCCNC(=O)N2CCO[C@H](C#N)C2)cc1)S(C)(=O)=O ZINC000774302430 1074226280 /nfs/dbraw/zinc/22/62/80/1074226280.db2.gz IULRRUYDMPMGML-OAHLLOKOSA-N 0 0 446.507 -0.275 20 30 IBEDRN CNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCC(=O)N3C)c(=O)n1CCOC ZINC000774521374 1074232228 /nfs/dbraw/zinc/23/22/28/1074232228.db2.gz PZFCFWWMXSWZHM-UHFFFAOYSA-N 0 0 426.498 -0.286 20 30 IBEDRN C#CCCN1CCN(c2nc(NCCOC)nc(N3CCN(CCC#C)CC3)n2)CC1 ZINC000774529345 1074233564 /nfs/dbraw/zinc/23/35/64/1074233564.db2.gz SEAQMNLWDMBLFY-UHFFFAOYSA-N 0 0 426.569 -0.358 20 30 IBEDRN C#CCCN1CCN(c2nc(N3CCOCC3)nc(N3CCN(CCC#C)CC3)n2)CC1 ZINC000774529965 1074233632 /nfs/dbraw/zinc/23/36/32/1074233632.db2.gz XUIUWVWTOJCJIO-UHFFFAOYSA-N 0 0 438.580 -0.001 20 30 IBEDRN Cn1c(=O)c(=Cc2ccc3c(c2)CCC(=O)N3C)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000774531006 1074233487 /nfs/dbraw/zinc/23/34/87/1074233487.db2.gz QMCZHMFDGOSETK-UHFFFAOYSA-N 0 0 438.509 -0.282 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCC(=O)N3C)c(=O)n1C ZINC000774531619 1074233969 /nfs/dbraw/zinc/23/39/69/1074233969.db2.gz ZABCLYBKIVWQQW-UHFFFAOYSA-N 0 0 426.498 -0.379 20 30 IBEDRN CN1C(=O)CCc2cc(C=c3sc(=C(C#N)C#N)n(CCS(C)(=O)=O)c3=O)ccc21 ZINC000774543100 1074234835 /nfs/dbraw/zinc/23/48/35/1074234835.db2.gz ZLUSBPTYGCLGCO-UHFFFAOYSA-N 0 0 442.522 -0.110 20 30 IBEDRN CCN(CC)S(=O)(=O)N1CCN(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)CC1 ZINC000774549986 1074234849 /nfs/dbraw/zinc/23/48/49/1074234849.db2.gz FZRDZZVAFZKNIW-GOSISDBHSA-N 0 0 428.603 -0.117 20 30 IBEDRN CCN(CC)S(=O)(=O)N1CCN(CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)CC1 ZINC000774549996 1074234697 /nfs/dbraw/zinc/23/46/97/1074234697.db2.gz FZRDZZVAFZKNIW-SFHVURJKSA-N 0 0 428.603 -0.117 20 30 IBEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)c1=O ZINC000774652675 1074247484 /nfs/dbraw/zinc/24/74/84/1074247484.db2.gz ODUIDGPXJGPVGP-HNNXBMFYSA-N 0 0 437.497 -0.273 20 30 IBEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCO[C@H](CNC(=O)OC(C)(C)C)C2)c1=O ZINC000774652684 1074247632 /nfs/dbraw/zinc/24/76/32/1074247632.db2.gz ODUIDGPXJGPVGP-OAHLLOKOSA-N 0 0 437.497 -0.273 20 30 IBEDRN C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc(Cl)ccc2CS(C)(=O)=O)CC1 ZINC000774764038 1074262554 /nfs/dbraw/zinc/26/25/54/1074262554.db2.gz HCHGJFIDWKVXIT-UHFFFAOYSA-N 0 0 447.966 -0.060 20 30 IBEDRN CCOC(=O)N1CCC(NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)CC1 ZINC000775007943 1074286267 /nfs/dbraw/zinc/28/62/67/1074286267.db2.gz WHKFDSAQRCPEKT-UHFFFAOYSA-N 0 0 431.497 -0.014 20 30 IBEDRN N#Cc1cccnc1NCCNC(=O)C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O ZINC000775102924 1074309155 /nfs/dbraw/zinc/30/91/55/1074309155.db2.gz ALQGJIVSXLXQPX-UHFFFAOYSA-N 0 0 427.465 -0.148 20 30 IBEDRN N#Cc1ccc(NCCNC(=O)C(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)nc1 ZINC000775104756 1074309411 /nfs/dbraw/zinc/30/94/11/1074309411.db2.gz INLZOSVBBLCVKT-UHFFFAOYSA-N 0 0 427.465 -0.148 20 30 IBEDRN C#C[C@@H](NC(=O)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@@H]1CCCO1 ZINC000775222778 1074322465 /nfs/dbraw/zinc/32/24/65/1074322465.db2.gz NDUAGYIRFLMCOV-MSOLQXFVSA-N 0 0 435.502 -0.379 20 30 IBEDRN C#C[C@@H](NC(=O)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@H]1CCCO1 ZINC000775222795 1074322442 /nfs/dbraw/zinc/32/24/42/1074322442.db2.gz NDUAGYIRFLMCOV-QZTJIDSGSA-N 0 0 435.502 -0.379 20 30 IBEDRN C#C[C@H](NC(=O)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@@H]1CCCO1 ZINC000775222797 1074322448 /nfs/dbraw/zinc/32/24/48/1074322448.db2.gz NDUAGYIRFLMCOV-ROUUACIJSA-N 0 0 435.502 -0.379 20 30 IBEDRN C#C[C@H](NC(=O)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@H]1CCCO1 ZINC000775222821 1074322360 /nfs/dbraw/zinc/32/23/60/1074322360.db2.gz NDUAGYIRFLMCOV-ZWKOTPCHSA-N 0 0 435.502 -0.379 20 30 IBEDRN C=CCOc1cccnc1C(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000775523612 1074341447 /nfs/dbraw/zinc/34/14/47/1074341447.db2.gz LOQFAAKZQIOMJW-AWEZNQCLSA-N 0 0 429.520 -0.079 20 30 IBEDRN C=CCOc1cccnc1C(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000775523616 1074341551 /nfs/dbraw/zinc/34/15/51/1074341551.db2.gz LOQFAAKZQIOMJW-CQSZACIVSA-N 0 0 429.520 -0.079 20 30 IBEDRN C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc(C(=O)NCC(F)(F)F)n(C)c2)CC1 ZINC000775699233 1074376375 /nfs/dbraw/zinc/37/63/75/1074376375.db2.gz BSXLVGRQCCVGLQ-UHFFFAOYSA-N 0 0 449.455 -0.627 20 30 IBEDRN COCCCOCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000775923932 1074396900 /nfs/dbraw/zinc/39/69/00/1074396900.db2.gz VWOMFWIPTOEAKV-UHFFFAOYSA-N 0 0 439.490 -0.013 20 30 IBEDRN C#CCNC(=O)CN1CCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CC1 ZINC000775966263 1074400987 /nfs/dbraw/zinc/40/09/87/1074400987.db2.gz WYBLSXFKZKDKHW-NRFANRHFSA-N 0 0 440.523 -0.098 20 30 IBEDRN C#CCNC(=O)CN1CCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CC1 ZINC000775966267 1074401751 /nfs/dbraw/zinc/40/17/51/1074401751.db2.gz WYBLSXFKZKDKHW-OAQYLSRUSA-N 0 0 440.523 -0.098 20 30 IBEDRN C#CCNC(=O)CN1CCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CC1 ZINC000775966314 1074400939 /nfs/dbraw/zinc/40/09/39/1074400939.db2.gz XYPICSOGEKNGQK-GOSISDBHSA-N 0 0 428.562 -0.176 20 30 IBEDRN C#CCNC(=O)CN1CCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CC1 ZINC000775966345 1074400880 /nfs/dbraw/zinc/40/08/80/1074400880.db2.gz XYPICSOGEKNGQK-SFHVURJKSA-N 0 0 428.562 -0.176 20 30 IBEDRN C[C@H]1CN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CCN1S(C)(=O)=O ZINC000776555565 1074420820 /nfs/dbraw/zinc/42/08/20/1074420820.db2.gz MWBSQFAKDRLPRM-ZDUSSCGKSA-N 0 0 428.536 -0.002 20 30 IBEDRN C[C@H](CC(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000776556494 1074421176 /nfs/dbraw/zinc/42/11/76/1074421176.db2.gz PRZJMZVSERIHAG-OLZOCXBDSA-N 0 0 428.536 -0.004 20 30 IBEDRN C[C@@H](CC(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000776556495 1074420991 /nfs/dbraw/zinc/42/09/91/1074420991.db2.gz PRZJMZVSERIHAG-STQMWFEESA-N 0 0 428.536 -0.004 20 30 IBEDRN C#CCCN1CCN(CC(=O)N(CCOC)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)CC1 ZINC000776592753 1074421587 /nfs/dbraw/zinc/42/15/87/1074421587.db2.gz MVAUHEBYBKCUQR-UHFFFAOYSA-N 0 0 434.541 -0.193 20 30 IBEDRN C#CCCN1CCN(CC(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)CC1 ZINC000776594481 1074421517 /nfs/dbraw/zinc/42/15/17/1074421517.db2.gz IVTPJMOGDFWSCX-UHFFFAOYSA-N 0 0 434.562 -0.035 20 30 IBEDRN C#CCCN1CCN(CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 ZINC000776595136 1074421645 /nfs/dbraw/zinc/42/16/45/1074421645.db2.gz FAWQPJAVXJWKRB-UHFFFAOYSA-N 0 0 434.562 -0.035 20 30 IBEDRN C=CCNC(=O)CNC(=O)NCCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1 ZINC000776925274 1074442099 /nfs/dbraw/zinc/44/20/99/1074442099.db2.gz FKGRMGYFQWUPJC-UHFFFAOYSA-N 0 0 448.523 -0.608 20 30 IBEDRN N#CCc1ccccc1CC(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000777308846 1074479558 /nfs/dbraw/zinc/47/95/58/1074479558.db2.gz HMJFQRWVCMNZDC-KRWDZBQOSA-N 0 0 425.532 -0.044 20 30 IBEDRN N#CCc1ccccc1CC(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000777308847 1074479540 /nfs/dbraw/zinc/47/95/40/1074479540.db2.gz HMJFQRWVCMNZDC-QGZVFWFLSA-N 0 0 425.532 -0.044 20 30 IBEDRN CC(C)(C)OC(=O)N1CC(OCCC(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)C1 ZINC000777318373 1074479586 /nfs/dbraw/zinc/47/95/86/1074479586.db2.gz OLLCBZNAGMITED-AWEZNQCLSA-N 0 0 429.495 -0.022 20 30 IBEDRN CC(C)(C)OC(=O)N1CC(OCCC(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)C1 ZINC000777318374 1074479613 /nfs/dbraw/zinc/47/96/13/1074479613.db2.gz OLLCBZNAGMITED-CQSZACIVSA-N 0 0 429.495 -0.022 20 30 IBEDRN Cc1cc(NC(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)nn1CCC#N ZINC000777612175 1072171643 /nfs/dbraw/zinc/17/16/43/1072171643.db2.gz AEAYKUFEEHDNMD-AWEZNQCLSA-N 0 0 444.539 -0.228 20 30 IBEDRN Cc1cc(NC(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)nn1CCC#N ZINC000777612183 1072171623 /nfs/dbraw/zinc/17/16/23/1072171623.db2.gz AEAYKUFEEHDNMD-CQSZACIVSA-N 0 0 444.539 -0.228 20 30 IBEDRN C#CCNC(=O)CN1CCCN(C(=O)c2c(OC)ccc(S(N)(=O)=O)c2OC)CC1 ZINC000777857227 1072257713 /nfs/dbraw/zinc/25/77/13/1072257713.db2.gz DJPSJPWRNQZHHU-UHFFFAOYSA-N 0 0 438.506 -0.752 20 30 IBEDRN C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(NC(=O)OC)c([N+](=O)[O-])c2)CC1 ZINC000777929078 1072280874 /nfs/dbraw/zinc/28/08/74/1072280874.db2.gz FXZBBNUKHKAERU-UHFFFAOYSA-N 0 0 439.450 -0.171 20 30 IBEDRN C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccccc2S(=O)(=O)NCC)CC1 ZINC000777929531 1072280977 /nfs/dbraw/zinc/28/09/77/1072280977.db2.gz LFSXEQMYKZXJLE-UHFFFAOYSA-N 0 0 428.536 -0.960 20 30 IBEDRN CCNS(=O)(=O)c1ccccc1S(=O)(=O)NCCNC(=O)C1N=CC=CC1=O ZINC000777944303 1072284599 /nfs/dbraw/zinc/28/45/99/1072284599.db2.gz RETPLSRIVKBTMR-FOCLMDBBSA-N 0 0 428.492 -0.211 20 30 IBEDRN CCNS(=O)(=O)c1ccccc1S(=O)(=O)NCCNC(=O)C1N=CC=CC1=O ZINC000777944304 1072284701 /nfs/dbraw/zinc/28/47/01/1072284701.db2.gz RETPLSRIVKBTMR-NXVVXOECSA-N 0 0 428.492 -0.211 20 30 IBEDRN C#CCn1c(=O)c(=Cc2ccc([N+](=O)[O-])cc2F)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000777945458 1072284749 /nfs/dbraw/zinc/28/47/49/1072284749.db2.gz HDCNRDXUEFXEDJ-UHFFFAOYSA-N 0 0 442.428 -0.048 20 30 IBEDRN C#CCn1c(=O)c(=Cc2ccc([N+](=O)[O-])cc2F)sc1=C(C#N)C(=O)NCCOC ZINC000777945496 1072284783 /nfs/dbraw/zinc/28/47/83/1072284783.db2.gz JTMSGGXYLIQMPD-UHFFFAOYSA-N 0 0 430.417 -0.144 20 30 IBEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2F)c(=O)n1CC(N)=O ZINC000777946264 1072286120 /nfs/dbraw/zinc/28/61/20/1072286120.db2.gz FQFUSKVTSLXWOB-UHFFFAOYSA-N 0 0 431.405 -0.752 20 30 IBEDRN CS(=O)(=O)NCCn1c(=O)c(=Cc2ccc([N+](=O)[O-])cc2F)sc1=C(C#N)C#N ZINC000777947819 1072286648 /nfs/dbraw/zinc/28/66/48/1072286648.db2.gz XLJAYOGRUHMZLP-UHFFFAOYSA-N 0 0 437.434 -0.467 20 30 IBEDRN C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccccc2S(=O)(=O)NCC)CC1 ZINC000777952446 1072288175 /nfs/dbraw/zinc/28/81/75/1072288175.db2.gz DETZGGXYOUTCTB-UHFFFAOYSA-N 0 0 442.563 -0.569 20 30 IBEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)CN2CCOCC2)CC1 ZINC000778845718 1072485050 /nfs/dbraw/zinc/48/50/50/1072485050.db2.gz IGQMISSIKXKJNK-UHFFFAOYSA-N 0 0 436.490 -0.733 20 30 IBEDRN CC(C)C[C@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000778855361 1072488653 /nfs/dbraw/zinc/48/86/53/1072488653.db2.gz INEZDHWFXUWABG-KBPBESRZSA-N 0 0 433.490 -0.098 20 30 IBEDRN CC(C)C[C@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000778855372 1072488765 /nfs/dbraw/zinc/48/87/65/1072488765.db2.gz INEZDHWFXUWABG-UONOGXRCSA-N 0 0 433.490 -0.098 20 30 IBEDRN C#CCN1CCC[C@H]1C(=O)NCCC(=O)N1CCN(C(=O)[C@@H]2CCCN2CC#C)CC1 ZINC000778949634 1072524033 /nfs/dbraw/zinc/52/40/33/1072524033.db2.gz PCMNFIDVRPCWMY-PMACEKPBSA-N 0 0 427.549 -0.641 20 30 IBEDRN COC(=O)CNC(=O)COC(=O)[C@@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000779346705 1072589174 /nfs/dbraw/zinc/58/91/74/1072589174.db2.gz MMZGDNBBGZLYDF-CYBMUJFWSA-N 0 0 425.463 -0.028 20 30 IBEDRN COC(=O)CNC(=O)COC(=O)[C@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000779346710 1072588998 /nfs/dbraw/zinc/58/89/98/1072588998.db2.gz MMZGDNBBGZLYDF-ZDUSSCGKSA-N 0 0 425.463 -0.028 20 30 IBEDRN C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC(N3CCS(=O)(=O)CC3)CC2)c1 ZINC000779380407 1072589156 /nfs/dbraw/zinc/58/91/56/1072589156.db2.gz RLGLYOLMSUIPFM-UHFFFAOYSA-N 0 0 439.559 -0.067 20 30 IBEDRN C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC(N3CCS(=O)(=O)CC3)CC2)cc1 ZINC000779380445 1072589134 /nfs/dbraw/zinc/58/91/34/1072589134.db2.gz SUIQRKGNJHRPNE-UHFFFAOYSA-N 0 0 439.559 -0.067 20 30 IBEDRN C#CCN(C(=O)[C@H](NS(=O)(=O)c1ccc(C)cc1)[C@@H](C)O)[C@@H]1CCS(=O)(=O)C1 ZINC000779497199 1072590376 /nfs/dbraw/zinc/59/03/76/1072590376.db2.gz FIFCADVTAIBXHC-BFYDXBDKSA-N 0 0 428.532 -0.328 20 30 IBEDRN C#CCN(C(=O)[C@H](NS(=O)(=O)c1ccc(C)cc1)[C@@H](C)O)[C@H]1CCS(=O)(=O)C1 ZINC000779497208 1072590315 /nfs/dbraw/zinc/59/03/15/1072590315.db2.gz FIFCADVTAIBXHC-HLLBOEOZSA-N 0 0 428.532 -0.328 20 30 IBEDRN C#CCN(C(=O)[C@H](NS(=O)(=O)c1ccc(C)cc1)[C@H](C)O)[C@H]1CCS(=O)(=O)C1 ZINC000779497211 1072590384 /nfs/dbraw/zinc/59/03/84/1072590384.db2.gz FIFCADVTAIBXHC-YQQAZPJKSA-N 0 0 428.532 -0.328 20 30 IBEDRN C#CCN(C(=O)[C@H](NS(=O)(=O)c1ccc(C)cc1)[C@H](C)O)[C@@H]1CCS(=O)(=O)C1 ZINC000779497217 1072590219 /nfs/dbraw/zinc/59/02/19/1072590219.db2.gz FIFCADVTAIBXHC-ZMSDIMECSA-N 0 0 428.532 -0.328 20 30 IBEDRN COC(=O)c1cn(C2CN(C(=O)C[C@@H](C)/N=C3/NS(=O)(=O)c4ccccc43)C2)nn1 ZINC000779547050 1072591875 /nfs/dbraw/zinc/59/18/75/1072591875.db2.gz QZUXMDILBZWSNB-LLVKDONJSA-N 0 0 432.462 -0.035 20 30 IBEDRN COC(=O)c1cn(C2CN(C(=O)C[C@H](C)/N=C3/NS(=O)(=O)c4ccccc43)C2)nn1 ZINC000779547051 1072591920 /nfs/dbraw/zinc/59/19/20/1072591920.db2.gz QZUXMDILBZWSNB-NSHDSACASA-N 0 0 432.462 -0.035 20 30 IBEDRN COC(=O)c1cn(C2CN(C(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)C2)nn1 ZINC000779548049 1072592331 /nfs/dbraw/zinc/59/23/31/1072592331.db2.gz ANKQCMFJAZHXQL-UHFFFAOYSA-N 0 0 432.462 -0.033 20 30 IBEDRN CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC(n2cc(C(N)=O)nn2)C1 ZINC000779549134 1072592343 /nfs/dbraw/zinc/59/23/43/1072592343.db2.gz OLDRJPZTUWRNRD-AWEZNQCLSA-N 0 0 445.505 -0.086 20 30 IBEDRN CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC(n2cc(C(N)=O)nn2)C1 ZINC000779549142 1072592298 /nfs/dbraw/zinc/59/22/98/1072592298.db2.gz OLDRJPZTUWRNRD-CQSZACIVSA-N 0 0 445.505 -0.086 20 30 IBEDRN C#CCNC(=O)CN1CCN(S(=O)(=O)[C@H]2CCCN(C(=O)c3ccccc3)C2)CC1 ZINC000779618730 1072594295 /nfs/dbraw/zinc/59/42/95/1072594295.db2.gz XMJVWNSJCVCFKS-IBGZPJMESA-N 0 0 432.546 -0.012 20 30 IBEDRN C#CCNC(=O)CN1CCN(S(=O)(=O)[C@@H]2CCCN(C(=O)c3ccccc3)C2)CC1 ZINC000779618754 1072594395 /nfs/dbraw/zinc/59/43/95/1072594395.db2.gz XMJVWNSJCVCFKS-LJQANCHMSA-N 0 0 432.546 -0.012 20 30 IBEDRN C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC000780047263 1072657743 /nfs/dbraw/zinc/65/77/43/1072657743.db2.gz INEODNRROHIDAO-AWEZNQCLSA-N 0 0 441.444 -0.264 20 30 IBEDRN C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC000780047282 1072657770 /nfs/dbraw/zinc/65/77/70/1072657770.db2.gz INEODNRROHIDAO-CQSZACIVSA-N 0 0 441.444 -0.264 20 30 IBEDRN C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000780050800 1072667792 /nfs/dbraw/zinc/66/77/92/1072667792.db2.gz OWXKMBNBUFIGHW-HNNXBMFYSA-N 0 0 443.460 -0.554 20 30 IBEDRN C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000780050801 1072667685 /nfs/dbraw/zinc/66/76/85/1072667685.db2.gz OWXKMBNBUFIGHW-OAHLLOKOSA-N 0 0 443.460 -0.554 20 30 IBEDRN C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000780052059 1072668299 /nfs/dbraw/zinc/66/82/99/1072668299.db2.gz WEOHWIRNAFYATE-INIZCTEOSA-N 0 0 429.477 -0.081 20 30 IBEDRN C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000780052060 1072668443 /nfs/dbraw/zinc/66/84/43/1072668443.db2.gz WEOHWIRNAFYATE-MRXNPFEDSA-N 0 0 429.477 -0.081 20 30 IBEDRN CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)OCC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000780174722 1072713440 /nfs/dbraw/zinc/71/34/40/1072713440.db2.gz DUBGVVOARNBYDW-APPDUMDISA-N 0 0 431.467 -0.196 20 30 IBEDRN CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)OCC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000780174723 1072713573 /nfs/dbraw/zinc/71/35/73/1072713573.db2.gz DUBGVVOARNBYDW-DIFFPNOSSA-N 0 0 431.467 -0.196 20 30 IBEDRN CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)OCC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000780174724 1072713267 /nfs/dbraw/zinc/71/32/67/1072713267.db2.gz DUBGVVOARNBYDW-GTNSWQLSSA-N 0 0 431.467 -0.196 20 30 IBEDRN CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)OCC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000780174725 1072713580 /nfs/dbraw/zinc/71/35/80/1072713580.db2.gz DUBGVVOARNBYDW-PIGZYNQJSA-N 0 0 431.467 -0.196 20 30 IBEDRN CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCCCOCCO)c1 ZINC000780291991 1072865913 /nfs/dbraw/zinc/86/59/13/1072865913.db2.gz MAMLQPQZQIWGFI-LTGZKZEYSA-N 0 0 426.495 -0.047 20 30 IBEDRN CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCCCOCCO)c1 ZINC000780291992 1072865955 /nfs/dbraw/zinc/86/59/55/1072865955.db2.gz MAMLQPQZQIWGFI-PGMHBOJBSA-N 0 0 426.495 -0.047 20 30 IBEDRN CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NCCCOCCO)cc1 ZINC000780293910 1072866333 /nfs/dbraw/zinc/86/63/33/1072866333.db2.gz SSGCMPSSEDALLD-LTGZKZEYSA-N 0 0 426.495 -0.047 20 30 IBEDRN CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NCCCOCCO)cc1 ZINC000780293911 1072866353 /nfs/dbraw/zinc/86/63/53/1072866353.db2.gz SSGCMPSSEDALLD-PGMHBOJBSA-N 0 0 426.495 -0.047 20 30 IBEDRN C#CCNC(=O)C1CCN(C(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000780524430 1072959577 /nfs/dbraw/zinc/95/95/77/1072959577.db2.gz MPDSIMINLIIOAK-AEFFLSMTSA-N 0 0 437.493 -0.062 20 30 IBEDRN C#CCN1CCN(C(=O)CN2CCN([C@H]3CCCN(c4cc(C)nn4C)C3=O)CC2)CC1 ZINC000780567867 1072960107 /nfs/dbraw/zinc/96/01/07/1072960107.db2.gz YOSXZHHKZDASEB-FQEVSTJZSA-N 0 0 441.580 -0.381 20 30 IBEDRN C#CCN1CCN(C(=O)CN2CCN([C@@H]3CCCN(c4cc(C)nn4C)C3=O)CC2)CC1 ZINC000780567894 1072960013 /nfs/dbraw/zinc/96/00/13/1072960013.db2.gz YOSXZHHKZDASEB-HXUWFJFHSA-N 0 0 441.580 -0.381 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)[C@@]2(NC(=O)OCc3ccccc3)CCOC2)CC1 ZINC000780706923 1072960528 /nfs/dbraw/zinc/96/05/28/1072960528.db2.gz RFEDCWPXVLDNAL-JOCHJYFZSA-N 0 0 428.489 -0.035 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)[C@]2(NC(=O)OCc3ccccc3)CCOC2)CC1 ZINC000780706924 1072960541 /nfs/dbraw/zinc/96/05/41/1072960541.db2.gz RFEDCWPXVLDNAL-QFIPXVFZSA-N 0 0 428.489 -0.035 20 30 IBEDRN C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccccc1S(=O)(=O)NC1CC1 ZINC000780714208 1072960365 /nfs/dbraw/zinc/96/03/65/1072960365.db2.gz WXXQNMYCOSAPSW-AWEZNQCLSA-N 0 0 432.545 -0.062 20 30 IBEDRN C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccccc1S(=O)(=O)NC1CC1 ZINC000780714209 1072960453 /nfs/dbraw/zinc/96/04/53/1072960453.db2.gz WXXQNMYCOSAPSW-CQSZACIVSA-N 0 0 432.545 -0.062 20 30 IBEDRN C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccccc2S(=O)(=O)NC2CC2)CC1 ZINC000780769946 1072962416 /nfs/dbraw/zinc/96/24/16/1072962416.db2.gz RZNDBGUUODUTLO-UHFFFAOYSA-N 0 0 440.547 -0.817 20 30 IBEDRN O=C(NCCNS(=O)(=O)c1ccccc1S(=O)(=O)NC1CC1)C1N=CC=CC1=O ZINC000780777319 1072962362 /nfs/dbraw/zinc/96/23/62/1072962362.db2.gz MLCXHNIHZZFSAE-MSUUIHNZSA-N 0 0 440.503 -0.068 20 30 IBEDRN O=C(NCCNS(=O)(=O)c1ccccc1S(=O)(=O)NC1CC1)C1N=CC=CC1=O ZINC000780777322 1072962854 /nfs/dbraw/zinc/96/28/54/1072962854.db2.gz MLCXHNIHZZFSAE-WUKNDPDISA-N 0 0 440.503 -0.068 20 30 IBEDRN CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)NCCNC(=O)C1N=CC=CC1=O ZINC000780777708 1072962845 /nfs/dbraw/zinc/96/28/45/1072962845.db2.gz PYSNHQIUKSOELB-FOCLMDBBSA-N 0 0 428.492 -0.258 20 30 IBEDRN CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)NCCNC(=O)C1N=CC=CC1=O ZINC000780777709 1072962775 /nfs/dbraw/zinc/96/27/75/1072962775.db2.gz PYSNHQIUKSOELB-NXVVXOECSA-N 0 0 428.492 -0.258 20 30 IBEDRN C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)CC1 ZINC000780785321 1072962803 /nfs/dbraw/zinc/96/28/03/1072962803.db2.gz JSHTWTCTPUSOGA-UHFFFAOYSA-N 0 0 442.563 -0.617 20 30 IBEDRN N#Cc1ccc([C@H](O)C(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000780893682 1072963323 /nfs/dbraw/zinc/96/33/23/1072963323.db2.gz CIZQLVIJHJZQFA-CVEARBPZSA-N 0 0 427.504 -0.747 20 30 IBEDRN N#Cc1ccc([C@H](O)C(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000780893683 1072963414 /nfs/dbraw/zinc/96/34/14/1072963414.db2.gz CIZQLVIJHJZQFA-HOTGVXAUSA-N 0 0 427.504 -0.747 20 30 IBEDRN N#Cc1ccc([C@@H](O)C(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000780893684 1072963389 /nfs/dbraw/zinc/96/33/89/1072963389.db2.gz CIZQLVIJHJZQFA-HZPDHXFCSA-N 0 0 427.504 -0.747 20 30 IBEDRN N#Cc1ccc([C@@H](O)C(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000780893685 1072963463 /nfs/dbraw/zinc/96/34/63/1072963463.db2.gz CIZQLVIJHJZQFA-JKSUJKDBSA-N 0 0 427.504 -0.747 20 30 IBEDRN CNC(=O)CCCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000781232949 1072965515 /nfs/dbraw/zinc/96/55/15/1072965515.db2.gz VOOBUUWSPAMESI-UHFFFAOYSA-N 0 0 436.490 -0.149 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)OCn2nnc3c(cnn3-c3ccccc3)c2=O)C1=O ZINC000781240269 1072965484 /nfs/dbraw/zinc/96/54/84/1072965484.db2.gz HZAMKXPTOIOKJV-UHFFFAOYSA-N 0 0 437.372 -0.545 20 30 IBEDRN Cn1cnn(CC(=O)OCC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c1=O ZINC000781265590 1072966123 /nfs/dbraw/zinc/96/61/23/1072966123.db2.gz GOCIJLLJRGVYHZ-UHFFFAOYSA-N 0 0 441.404 -0.407 20 30 IBEDRN COCc1noc(CN2CCN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CC2)n1 ZINC000781465745 1072967620 /nfs/dbraw/zinc/96/76/20/1072967620.db2.gz YDCJAIGMDAJHMX-UHFFFAOYSA-N 0 0 434.478 -0.401 20 30 IBEDRN COCc1noc(CN2CCN(C(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)CC2)n1 ZINC000781474579 1072968274 /nfs/dbraw/zinc/96/82/74/1072968274.db2.gz OORBIQDTNJVPOM-UHFFFAOYSA-N 0 0 448.505 -0.011 20 30 IBEDRN O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CC(S(=O)(=O)NC2CCCC2)C1 ZINC000781524374 1072968732 /nfs/dbraw/zinc/96/87/32/1072968732.db2.gz UHIRGAKDEMWDMU-UHFFFAOYSA-N 0 0 426.520 -0.202 20 30 IBEDRN C#CCNC(=O)CN1CCN(S(=O)(=O)C2CN(C(=O)c3cccc(Cl)c3)C2)CC1 ZINC000781528451 1072968653 /nfs/dbraw/zinc/96/86/53/1072968653.db2.gz KASFSLHXGHBXKZ-UHFFFAOYSA-N 0 0 438.937 -0.139 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2c(C)cc(OC)nc2C)c(=O)n1CCOC ZINC000781654586 1072970312 /nfs/dbraw/zinc/97/03/12/1072970312.db2.gz SVNUBWHTMDXXKX-UHFFFAOYSA-N 0 0 446.529 -0.158 20 30 IBEDRN C#CCn1c(=O)c(=Cc2c(C)cc(OC)nc2C)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000781659388 1072970301 /nfs/dbraw/zinc/97/03/01/1072970301.db2.gz BEKKOCKQFBTSCI-UHFFFAOYSA-N 0 0 438.509 -0.075 20 30 IBEDRN COCCn1cc(C=c2sc(=C(C#N)C(=O)C3CCCC3)n(CC(N)=O)c2=O)cn1 ZINC000781660593 1072970278 /nfs/dbraw/zinc/97/02/78/1072970278.db2.gz UABSXQKRPKDJBU-UHFFFAOYSA-N 0 0 429.502 -0.500 20 30 IBEDRN Cn1cc(C=c2sc(=C(C#N)C(=O)C3CCCC3)n(CCNS(C)(=O)=O)c2=O)cn1 ZINC000781661434 1072970424 /nfs/dbraw/zinc/97/04/24/1072970424.db2.gz ZWOYSIKDQGKHEB-UHFFFAOYSA-N 0 0 449.558 -0.545 20 30 IBEDRN Cn1cc(C=c2sc(=C(C#N)C(=O)C3CCCC3)n(CCS(C)(=O)=O)c2=O)cn1 ZINC000781662624 1072970346 /nfs/dbraw/zinc/97/03/46/1072970346.db2.gz CMKJNHUJKQXPMK-UHFFFAOYSA-N 0 0 434.543 -0.050 20 30 IBEDRN C#CCn1c(=O)c(=Cc2c(C)cc(OC)nc2C)sc1=C(C#N)C(=O)NCCOC ZINC000781663065 1072970381 /nfs/dbraw/zinc/97/03/81/1072970381.db2.gz OCAJOTJLSNPZOA-UHFFFAOYSA-N 0 0 426.498 -0.171 20 30 IBEDRN Cn1nccc1C=c1sc(=C(C#N)C(=O)C2CCCC2)n(CCS(C)(=O)=O)c1=O ZINC000781664231 1072970406 /nfs/dbraw/zinc/97/04/06/1072970406.db2.gz OZWBBOSOEYEZGH-UHFFFAOYSA-N 0 0 434.543 -0.050 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(Cc2nc3oc(C)c(C(=O)OCC)c3c(N)n2)CC1 ZINC000781904128 1072974299 /nfs/dbraw/zinc/97/42/99/1072974299.db2.gz MGPXASLJPAKIHS-UHFFFAOYSA-N 0 0 436.494 -0.125 20 30 IBEDRN CNC(=O)C(C#N)=c1sc(=Cc2ccc(OCC(=O)OC)cc2)c(=O)n1CCOC ZINC000782244834 1072978501 /nfs/dbraw/zinc/97/85/01/1072978501.db2.gz JNSHMVNCOZCVFG-UHFFFAOYSA-N 0 0 431.470 -0.643 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])s2)c(=O)n1CCOC ZINC000782244946 1072978522 /nfs/dbraw/zinc/97/85/22/1072978522.db2.gz MHCPQZOEDMZXPY-UHFFFAOYSA-N 0 0 438.487 -0.208 20 30 IBEDRN CS(=O)(=O)NCCn1c(=O)c(=Cc2ccc([N+](=O)[O-])s2)sc1=C(C#N)C#N ZINC000782248851 1072978543 /nfs/dbraw/zinc/97/85/43/1072978543.db2.gz DNMIJQQJUKEJER-UHFFFAOYSA-N 0 0 425.473 -0.545 20 30 IBEDRN COC(=O)COc1ccc(C=c2sc(=C(C#N)C#N)n(CC(=O)N(C)C)c2=O)cc1 ZINC000782248961 1072978558 /nfs/dbraw/zinc/97/85/58/1072978558.db2.gz GAULPYYVHRMFLO-UHFFFAOYSA-N 0 0 426.454 -0.424 20 30 IBEDRN C#CCn1c(=O)c(=Cc2ccc(OCC(=O)OC)cc2)sc1=C(C#N)C(=O)NCC=C ZINC000782249781 1072978406 /nfs/dbraw/zinc/97/84/06/1072978406.db2.gz MUEGOXNFVLTOGF-UHFFFAOYSA-N 0 0 437.477 -0.100 20 30 IBEDRN C#CCn1c(=O)c(=Cc2ccc(OCC(=O)OC)cc2)sc1=C(C#N)C(=O)NC1CC1 ZINC000782250250 1072978584 /nfs/dbraw/zinc/97/85/84/1072978584.db2.gz RBPRMHPUOLEBQI-UHFFFAOYSA-N 0 0 437.477 -0.124 20 30 IBEDRN COC(=O)COc1ccc(C=c2sc(=C(C#N)C#N)n(CCS(C)(=O)=O)c2=O)cc1 ZINC000782250315 1072978509 /nfs/dbraw/zinc/97/85/09/1072978509.db2.gz SIWTXKKUKOVMPD-UHFFFAOYSA-N 0 0 447.494 -0.467 20 30 IBEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])s2)c(=O)n1CC(=O)N(C)C ZINC000782250380 1072978566 /nfs/dbraw/zinc/97/85/66/1072978566.db2.gz VUNHSCLSLAZPMB-UHFFFAOYSA-N 0 0 447.498 -0.227 20 30 IBEDRN C#CCn1c(=O)c(=Cc2ccc([N+](=O)[O-])s2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000782250768 1072978395 /nfs/dbraw/zinc/97/83/95/1072978395.db2.gz YUGXUAXGBCNLDU-UHFFFAOYSA-N 0 0 430.467 -0.125 20 30 IBEDRN C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1 ZINC000782334680 1072979627 /nfs/dbraw/zinc/97/96/27/1072979627.db2.gz AAWYYLSIRIQGLZ-KYOSRNDESA-N 0 0 443.453 -0.107 20 30 IBEDRN C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1 ZINC000782334684 1072979589 /nfs/dbraw/zinc/97/95/89/1072979589.db2.gz AAWYYLSIRIQGLZ-LNSITVRQSA-N 0 0 443.453 -0.107 20 30 IBEDRN C=CCNC(=O)NC(=O)COC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1 ZINC000782340606 1072979423 /nfs/dbraw/zinc/97/94/23/1072979423.db2.gz BHGYVCAARUORRS-OCCSQVGLSA-N 0 0 429.426 -0.495 20 30 IBEDRN Cn1ccc(CC(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n1 ZINC000782384630 1072980568 /nfs/dbraw/zinc/98/05/68/1072980568.db2.gz CVVXKLLIQBTIPW-UHFFFAOYSA-N 0 0 431.474 -0.089 20 30 IBEDRN Cn1ncc(Br)c1C=c1sc(=C(C#N)C#N)n(CCN2CCOCC2)c1=O ZINC000782599073 1072981191 /nfs/dbraw/zinc/98/11/91/1072981191.db2.gz QHHZWNOGTZMFCD-UHFFFAOYSA-N 0 0 449.334 -0.235 20 30 IBEDRN CNC(=O)C(C#N)=c1sc(=Cc2cc(Br)nn2C)c(=O)n1CCOC ZINC000782600072 1072981395 /nfs/dbraw/zinc/98/13/95/1072981395.db2.gz GBDJDUKXQMHYKT-UHFFFAOYSA-N 0 0 426.296 -0.699 20 30 IBEDRN Cn1nc(Br)cc1C=c1sc(=C(C#N)C#N)n(CCN2CCOCC2)c1=O ZINC000782600134 1071268026 /nfs/dbraw/zinc/26/80/26/1071268026.db2.gz VNSYEHLYGJGTAK-UHFFFAOYSA-N 0 0 449.334 -0.235 20 30 IBEDRN CNC(=O)C(C#N)=c1sc(=Cc2c(Br)cnn2C)c(=O)n1CCOC ZINC000782602131 1071267541 /nfs/dbraw/zinc/26/75/41/1071267541.db2.gz WKXIICVNXLZUDL-UHFFFAOYSA-N 0 0 426.296 -0.699 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cc(Br)nn2C)c(=O)n1C ZINC000782637861 1072982512 /nfs/dbraw/zinc/98/25/12/1072982512.db2.gz VNMMFMHIWYIZTC-UHFFFAOYSA-N 0 0 426.296 -0.792 20 30 IBEDRN Cn1nc(Br)cc1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(C)c1=O ZINC000782637921 1072982286 /nfs/dbraw/zinc/98/22/86/1072982286.db2.gz XKRLDTQLLGABQK-UHFFFAOYSA-N 0 0 438.307 -0.695 20 30 IBEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cc(Br)nn2C)c(=O)n1C ZINC000782638195 1072982447 /nfs/dbraw/zinc/98/24/47/1072982447.db2.gz ZAEXZPDOFSYOQU-UHFFFAOYSA-N 0 0 440.323 -0.401 20 30 IBEDRN CCn1c(=O)c(=Cc2cc(Br)nn2C)sc1=C(C#N)C(=O)NCCOC ZINC000782641295 1072982267 /nfs/dbraw/zinc/98/22/67/1072982267.db2.gz ZYSQMIHFKKYNQR-UHFFFAOYSA-N 0 0 440.323 -0.309 20 30 IBEDRN CCOCCn1c(=O)c(=Cc2cc(Br)nn2C)sc1=C(C#N)C(=O)NC ZINC000782699848 1072983346 /nfs/dbraw/zinc/98/33/46/1072983346.db2.gz FLANHAWWOOQQRK-UHFFFAOYSA-N 0 0 440.323 -0.309 20 30 IBEDRN CC(C)C(=O)C(C#N)=c1sc(=Cc2cc(Br)nn2C)c(=O)n1CC(N)=O ZINC000782748546 1072984059 /nfs/dbraw/zinc/98/40/59/1072984059.db2.gz NBVAKCWDHLVYEY-UHFFFAOYSA-N 0 0 438.307 -0.381 20 30 IBEDRN CNC(=O)C(C#N)=c1sc(=Cc2cc(Br)nn2C)c(=O)n1Cc1ccon1 ZINC000782779094 1072984169 /nfs/dbraw/zinc/98/41/69/1072984169.db2.gz IFDJAASYJKPWAV-UHFFFAOYSA-N 0 0 449.290 -0.309 20 30 IBEDRN C#CCn1c(=O)c(=Cc2c(Br)cnn2C)sc1=C(C#N)C(=O)NC1CC1 ZINC000782784339 1072984640 /nfs/dbraw/zinc/98/46/40/1072984640.db2.gz TWIOXZFYOKWVSC-UHFFFAOYSA-N 0 0 432.303 -0.179 20 30 IBEDRN C#CCn1c(=O)c(=Cc2c(Br)cnn2C)sc1=C(C#N)C(=O)NCC=C ZINC000782791683 1072984595 /nfs/dbraw/zinc/98/45/95/1072984595.db2.gz ALDMUSIREFUPGR-UHFFFAOYSA-N 0 0 432.303 -0.156 20 30 IBEDRN C#CCn1c(=O)c(=Cc2cc(Br)nn2C)sc1=C(C#N)C(=O)NC1CC1 ZINC000782792604 1072984482 /nfs/dbraw/zinc/98/44/82/1072984482.db2.gz JPPZZSVITMGUBY-UHFFFAOYSA-N 0 0 432.303 -0.179 20 30 IBEDRN C#CCn1c(=O)c(=Cc2cc(Br)nn2C)sc1=C(C#N)C(=O)NCC=C ZINC000782792654 1071313923 /nfs/dbraw/zinc/31/39/23/1071313923.db2.gz LVNUNYXYXXYCDY-UHFFFAOYSA-N 0 0 432.303 -0.156 20 30 IBEDRN N#C[C@H]1CN(C(=O)C(=O)Nc2ncn(CC(=O)N3CCCCCC3)n2)CCN1C1CC1 ZINC000782806465 1072984662 /nfs/dbraw/zinc/98/46/62/1072984662.db2.gz AUWBVEXIOAJDLN-INIZCTEOSA-N 0 0 428.497 -0.182 20 30 IBEDRN N#C[C@@H]1CN(C(=O)C(=O)Nc2ncn(CC(=O)N3CCCCCC3)n2)CCN1C1CC1 ZINC000782806469 1072984654 /nfs/dbraw/zinc/98/46/54/1072984654.db2.gz AUWBVEXIOAJDLN-MRXNPFEDSA-N 0 0 428.497 -0.182 20 30 IBEDRN N#CCCN(CCN1CCOCC1)C(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)cc1 ZINC000782907966 1071321664 /nfs/dbraw/zinc/32/16/64/1071321664.db2.gz WHDPGUHEUDUMBH-UHFFFAOYSA-N 0 0 428.493 -0.364 20 30 IBEDRN C=CCS(=O)(=O)CCNS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000782986431 1072985617 /nfs/dbraw/zinc/98/56/17/1072985617.db2.gz COKVFDOVTJJXGD-UHFFFAOYSA-N 0 0 438.549 -0.413 20 30 IBEDRN C=CCS(=O)(=O)CCNS(=O)(=O)CCN(C)S(=O)(=O)c1ccc(F)cc1 ZINC000782987018 1072986240 /nfs/dbraw/zinc/98/62/40/1072986240.db2.gz HVGODTVWNYKUMZ-UHFFFAOYSA-N 0 0 428.529 -0.034 20 30 IBEDRN C=CCS(=O)(=O)CCNS(=O)(=O)c1ccc(OC)c([C@]2(C)NC(=O)NC2=O)c1 ZINC000782987202 1072986056 /nfs/dbraw/zinc/98/60/56/1072986056.db2.gz KPAXYPZVBKYSFU-INIZCTEOSA-N 0 0 431.492 -0.371 20 30 IBEDRN C=CCS(=O)(=O)CCNS(=O)(=O)c1ccc(OC)c([C@@]2(C)NC(=O)NC2=O)c1 ZINC000782987203 1072986183 /nfs/dbraw/zinc/98/61/83/1072986183.db2.gz KPAXYPZVBKYSFU-MRXNPFEDSA-N 0 0 431.492 -0.371 20 30 IBEDRN C=CCS(=O)(=O)CCNC(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000782999080 1072986152 /nfs/dbraw/zinc/98/61/52/1072986152.db2.gz KAFYTKPXHPHAFX-UHFFFAOYSA-N 0 0 445.567 -0.567 20 30 IBEDRN C=CCS(=O)(=O)CCNC(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000783012315 1071334057 /nfs/dbraw/zinc/33/40/57/1071334057.db2.gz DVYJLZNQDFRMFM-GASCZTMLSA-N 0 0 438.572 -0.732 20 30 IBEDRN C=CCS(=O)(=O)CCNC(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000783012319 1071333951 /nfs/dbraw/zinc/33/39/51/1071333951.db2.gz DVYJLZNQDFRMFM-GJZGRUSLSA-N 0 0 438.572 -0.732 20 30 IBEDRN C=CCS(=O)(=O)CCNC(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000783012320 1071333814 /nfs/dbraw/zinc/33/38/14/1071333814.db2.gz DVYJLZNQDFRMFM-HUUCEWRRSA-N 0 0 438.572 -0.732 20 30 IBEDRN C=CCS(=O)(=O)CCNC(=O)N[C@H](C)C(=O)Nc1cccc(S(=O)(=O)NC)c1 ZINC000783015818 1071333857 /nfs/dbraw/zinc/33/38/57/1071333857.db2.gz XLKGFKFWDBFKSX-GFCCVEGCSA-N 0 0 432.524 -0.178 20 30 IBEDRN C=CCS(=O)(=O)CCNC(=O)N[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)NC)c1 ZINC000783015819 1071334397 /nfs/dbraw/zinc/33/43/97/1071334397.db2.gz XLKGFKFWDBFKSX-LBPRGKRZSA-N 0 0 432.524 -0.178 20 30 IBEDRN C=CCS(=O)(=O)CCNC(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1 ZINC000783057086 1071338719 /nfs/dbraw/zinc/33/87/19/1071338719.db2.gz MGVKGQCXASRROI-UHFFFAOYSA-N 0 0 431.540 -0.115 20 30 IBEDRN Cn1ccnc1CN1CCC[C@H](NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1=O ZINC000783073199 1072986202 /nfs/dbraw/zinc/98/62/02/1072986202.db2.gz GJHXREUTXHBUHW-AWEZNQCLSA-N 0 0 430.490 -0.234 20 30 IBEDRN Cn1ccnc1CN1CCC[C@@H](NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1=O ZINC000783073204 1072986668 /nfs/dbraw/zinc/98/66/68/1072986668.db2.gz GJHXREUTXHBUHW-CQSZACIVSA-N 0 0 430.490 -0.234 20 30 IBEDRN CC(C)(C)OC(=O)N1CC(C)(OCC(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)C1 ZINC000783095697 1072986650 /nfs/dbraw/zinc/98/66/50/1072986650.db2.gz DGZVNUOANWTMSA-CYBMUJFWSA-N 0 0 429.495 -0.022 20 30 IBEDRN CC(C)(C)OC(=O)N1CC(C)(OCC(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)C1 ZINC000783095699 1072986710 /nfs/dbraw/zinc/98/67/10/1072986710.db2.gz DGZVNUOANWTMSA-ZDUSSCGKSA-N 0 0 429.495 -0.022 20 30 IBEDRN CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@H](O)CO)c1 ZINC000783101193 1072986717 /nfs/dbraw/zinc/98/67/17/1072986717.db2.gz QLQPOBRZYOABHD-FJGOLAJPSA-N 0 0 426.495 -0.313 20 30 IBEDRN CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@@H](O)CO)c1 ZINC000783101246 1072986740 /nfs/dbraw/zinc/98/67/40/1072986740.db2.gz QLQPOBRZYOABHD-HDOZFUISSA-N 0 0 426.495 -0.313 20 30 IBEDRN CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@H](O)CO)c1 ZINC000783101252 1072986476 /nfs/dbraw/zinc/98/64/76/1072986476.db2.gz QLQPOBRZYOABHD-IKBYJFNHSA-N 0 0 426.495 -0.313 20 30 IBEDRN CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@@H](O)CO)c1 ZINC000783101257 1072986517 /nfs/dbraw/zinc/98/65/17/1072986517.db2.gz QLQPOBRZYOABHD-VDVBZYJVSA-N 0 0 426.495 -0.313 20 30 IBEDRN C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(N2CCOCC2)cc1C(=O)OC ZINC000783344091 1072988252 /nfs/dbraw/zinc/98/82/52/1072988252.db2.gz CACRYHYJNXWYDL-UHFFFAOYSA-N 0 0 439.490 -0.035 20 30 IBEDRN C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000783346980 1072988674 /nfs/dbraw/zinc/98/86/74/1072988674.db2.gz GFWMMYJDAHESHZ-UHFFFAOYSA-N 0 0 445.519 -0.637 20 30 IBEDRN C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1OC ZINC000783347168 1072988796 /nfs/dbraw/zinc/98/87/96/1072988796.db2.gz KXZDPHMUCAXLLI-UHFFFAOYSA-N 0 0 445.519 -0.209 20 30 IBEDRN C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000783347307 1072988650 /nfs/dbraw/zinc/98/86/50/1072988650.db2.gz MGILNNXCAKHDCW-UHFFFAOYSA-N 0 0 445.519 -0.637 20 30 IBEDRN C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(CC(=O)N2CCN(C)CC2)cc1 ZINC000783347315 1072988810 /nfs/dbraw/zinc/98/88/10/1072988810.db2.gz MLRBAVWIWVUIAX-UHFFFAOYSA-N 0 0 436.534 -0.341 20 30 IBEDRN C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1OC ZINC000783347584 1072988606 /nfs/dbraw/zinc/98/86/06/1072988606.db2.gz JYEUZSMRSRAMNS-UHFFFAOYSA-N 0 0 433.508 -0.399 20 30 IBEDRN C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N(C)C ZINC000783348069 1072988864 /nfs/dbraw/zinc/98/88/64/1072988864.db2.gz SBONXNJXSPZQFD-UHFFFAOYSA-N 0 0 446.551 -0.342 20 30 IBEDRN C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccccc1OCC(=O)N1CCOCC1 ZINC000783348256 1072988852 /nfs/dbraw/zinc/98/88/52/1072988852.db2.gz VBANATAQDKTVHG-UHFFFAOYSA-N 0 0 439.490 -0.420 20 30 IBEDRN C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)NC2CC2)c1 ZINC000783348350 1072988732 /nfs/dbraw/zinc/98/87/32/1072988732.db2.gz ZGEAIDPPUKCIHX-UHFFFAOYSA-N 0 0 445.519 -0.209 20 30 IBEDRN C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)c(Cl)c1 ZINC000783349870 1072988785 /nfs/dbraw/zinc/98/87/85/1072988785.db2.gz CVQOMFCTGAIQHO-UHFFFAOYSA-N 0 0 428.898 -0.068 20 30 IBEDRN C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(OCC)c(S(=O)(=O)N(C)C)c1 ZINC000783350274 1072988691 /nfs/dbraw/zinc/98/86/91/1072988691.db2.gz HYLSGMZNXPDRLQ-UHFFFAOYSA-N 0 0 447.535 -0.009 20 30 IBEDRN C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000783350613 1072988631 /nfs/dbraw/zinc/98/86/31/1072988631.db2.gz NVBXTDVRMMBCGT-UHFFFAOYSA-N 0 0 429.520 -0.457 20 30 IBEDRN C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1 ZINC000783350832 1071552833 /nfs/dbraw/zinc/55/28/33/1071552833.db2.gz QIHLTNVMJLDBSU-UHFFFAOYSA-N 0 0 438.506 -0.387 20 30 IBEDRN C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1OCC ZINC000783350946 1072988831 /nfs/dbraw/zinc/98/88/31/1072988831.db2.gz SHLZUEIOFGHHKY-UHFFFAOYSA-N 0 0 447.535 -0.009 20 30 IBEDRN C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)NC2CC2)c1 ZINC000783351259 1072988753 /nfs/dbraw/zinc/98/87/53/1072988753.db2.gz WUYOOVYEUBHNJB-UHFFFAOYSA-N 0 0 433.483 -0.078 20 30 IBEDRN C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCc2ccc(S(=O)(=O)NCC)cc21 ZINC000783351344 1072988620 /nfs/dbraw/zinc/98/86/20/1072988620.db2.gz XPCKQDPFBJXDFJ-UHFFFAOYSA-N 0 0 429.520 -0.409 20 30 IBEDRN C#CCNS(=O)(=O)c1cccc(C(=O)N(CC)CC(=O)N[C@H]2CCS(=O)(=O)C2)c1 ZINC000783352324 1072988771 /nfs/dbraw/zinc/98/87/71/1072988771.db2.gz XKTZFVCMCMZWSM-HNNXBMFYSA-N 0 0 441.531 -0.637 20 30 IBEDRN C#CCNS(=O)(=O)c1cccc(C(=O)N(CC)CC(=O)N[C@@H]2CCS(=O)(=O)C2)c1 ZINC000783352325 1072988825 /nfs/dbraw/zinc/98/88/25/1072988825.db2.gz XKTZFVCMCMZWSM-OAHLLOKOSA-N 0 0 441.531 -0.637 20 30 IBEDRN C#Cc1cccc(NC(=O)CN(C)C(=O)C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)c1 ZINC000783453073 1072989772 /nfs/dbraw/zinc/98/97/72/1072989772.db2.gz OKGQFXRMKXNDFO-UHFFFAOYSA-N 0 0 448.439 -0.351 20 30 IBEDRN C#Cc1cccc(NC(=O)CN(C)C(=O)C(=O)Nc2cccc(C(=O)NCC(N)=O)c2)c1 ZINC000783453421 1072989688 /nfs/dbraw/zinc/98/96/88/1072989688.db2.gz VUDBWJBLQQYQOB-UHFFFAOYSA-N 0 0 435.440 -0.081 20 30 IBEDRN C#Cc1cccc(NC(=O)CN(C)C(=O)C(=O)Nc2cnn(CC(=O)NCCOC)c2)c1 ZINC000783453998 1072989796 /nfs/dbraw/zinc/98/97/96/1072989796.db2.gz ZSBJBEFRCOEFCO-UHFFFAOYSA-N 0 0 440.460 -0.337 20 30 IBEDRN C#Cc1cccc(NC(=O)CNC(=O)C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)c1 ZINC000783458934 1072989777 /nfs/dbraw/zinc/98/97/77/1072989777.db2.gz KVFINNHKGMHBQP-UHFFFAOYSA-N 0 0 434.412 -0.693 20 30 IBEDRN C#Cc1cccc(NC(=O)CNC(=O)C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)c1 ZINC000783463518 1072989707 /nfs/dbraw/zinc/98/97/07/1072989707.db2.gz BYVLSZJLBBORCK-UHFFFAOYSA-N 0 0 438.444 -0.583 20 30 IBEDRN C#Cc1cccc(NC(=O)CNC(=O)C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)c1 ZINC000783463590 1072989658 /nfs/dbraw/zinc/98/96/58/1072989658.db2.gz FGGCZHHAJIMIHQ-UHFFFAOYSA-N 0 0 438.444 -0.583 20 30 IBEDRN C#Cc1cccc(NC(=O)CNC(=O)C(=O)Nc2cnn(CC(=O)NCCOC)c2)c1 ZINC000783464979 1072989714 /nfs/dbraw/zinc/98/97/14/1072989714.db2.gz PPWBGMPGQCNUGC-UHFFFAOYSA-N 0 0 426.433 -0.680 20 30 IBEDRN C#CCN(C(=O)C(=O)N1C[C@H](C(=O)NCCC)Oc2ccccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000783480161 1072990282 /nfs/dbraw/zinc/99/02/82/1072990282.db2.gz PIXVNTMFOWBOBI-CRAIPNDOSA-N 0 0 447.513 -0.044 20 30 IBEDRN C#CCN(C(=O)C(=O)N1C[C@H](C(=O)NCCC)Oc2ccccc21)[C@H]1CCS(=O)(=O)C1 ZINC000783480162 1072990313 /nfs/dbraw/zinc/99/03/13/1072990313.db2.gz PIXVNTMFOWBOBI-MAUKXSAKSA-N 0 0 447.513 -0.044 20 30 IBEDRN C#CCN(C(=O)C(=O)N1C[C@@H](C(=O)NCCC)Oc2ccccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000783480163 1072990250 /nfs/dbraw/zinc/99/02/50/1072990250.db2.gz PIXVNTMFOWBOBI-QAPCUYQASA-N 0 0 447.513 -0.044 20 30 IBEDRN C#CCN(C(=O)C(=O)N1C[C@@H](C(=O)NCCC)Oc2ccccc21)[C@H]1CCS(=O)(=O)C1 ZINC000783480166 1072990244 /nfs/dbraw/zinc/99/02/44/1072990244.db2.gz PIXVNTMFOWBOBI-YJBOKZPZSA-N 0 0 447.513 -0.044 20 30 IBEDRN C#CCN(C(=O)C(=O)Nc1ccc(S(=O)(=O)NCCC)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000783480708 1072990344 /nfs/dbraw/zinc/99/03/44/1072990344.db2.gz SRVDTVWDAYUFKS-HNNXBMFYSA-N 0 0 441.531 -0.038 20 30 IBEDRN C#CCN(C(=O)C(=O)Nc1ccc(S(=O)(=O)NCCC)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000783480710 1072990193 /nfs/dbraw/zinc/99/01/93/1072990193.db2.gz SRVDTVWDAYUFKS-OAHLLOKOSA-N 0 0 441.531 -0.038 20 30 IBEDRN C#CCN(C(=O)C(=O)Nc1ccc(C)c(S(=O)(=O)N(C)C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000783481185 1072990258 /nfs/dbraw/zinc/99/02/58/1072990258.db2.gz OJVCKFMCQWULJM-HNNXBMFYSA-N 0 0 441.531 -0.167 20 30 IBEDRN C#CCN(C(=O)C(=O)Nc1ccc(C)c(S(=O)(=O)N(C)C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000783481187 1072990222 /nfs/dbraw/zinc/99/02/22/1072990222.db2.gz OJVCKFMCQWULJM-OAHLLOKOSA-N 0 0 441.531 -0.167 20 30 IBEDRN C#CCN(C(=O)C(=O)Nc1cccc(-n2nnnc2SC)c1)[C@H]1CCS(=O)(=O)C1 ZINC000783481998 1072990229 /nfs/dbraw/zinc/99/02/29/1072990229.db2.gz STCSVKDFKIFMIS-AWEZNQCLSA-N 0 0 434.503 -0.028 20 30 IBEDRN C#CCN(C(=O)C(=O)Nc1cccc(-n2nnnc2SC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000783481999 1072990176 /nfs/dbraw/zinc/99/01/76/1072990176.db2.gz STCSVKDFKIFMIS-CQSZACIVSA-N 0 0 434.503 -0.028 20 30 IBEDRN C=CCS(=O)(=O)CCNC(=O)Cc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 ZINC000783537254 1072990837 /nfs/dbraw/zinc/99/08/37/1072990837.db2.gz YQTPSZQLLPEEJQ-UHFFFAOYSA-N 0 0 446.547 -0.024 20 30 IBEDRN C=CCS(=O)(=O)CCNC(=O)c1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 ZINC000783545593 1072990850 /nfs/dbraw/zinc/99/08/50/1072990850.db2.gz VFYPPILZPJMFQM-UHFFFAOYSA-N 0 0 443.547 -0.130 20 30 IBEDRN C=CCS(=O)(=O)CCNC(=O)c1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1 ZINC000783546690 1072990934 /nfs/dbraw/zinc/99/09/34/1072990934.db2.gz ALIMTHVEPOJAJD-UHFFFAOYSA-N 0 0 443.547 -0.130 20 30 IBEDRN CS(=O)(=O)NCCn1c(=O)c(=Cc2cc(-n3ccnc3)cs2)sc1=C(C#N)C#N ZINC000783955641 1072992943 /nfs/dbraw/zinc/99/29/43/1072992943.db2.gz PTSSMJBRAWYMOP-UHFFFAOYSA-N 0 0 446.539 -0.267 20 30 IBEDRN C#CCOCCN1C(=O)[C@H](CC(=O)NC)S/C1=N\Cc1ccc(S(N)(=O)=O)cc1 ZINC000784123823 1072992914 /nfs/dbraw/zinc/99/29/14/1072992914.db2.gz GCJRDZCDHGPCEG-BAOKRACBSA-N 0 0 438.531 -0.080 20 30 IBEDRN C#CCOCCN1C(=O)[C@@H](CC(=O)NC)S/C1=N/Cc1ccc(S(N)(=O)=O)cc1 ZINC000784123824 1072992824 /nfs/dbraw/zinc/99/28/24/1072992824.db2.gz GCJRDZCDHGPCEG-GALDBLJUSA-N 0 0 438.531 -0.080 20 30 IBEDRN C#CCOCCN1C(=O)[C@H](CC(=O)NC)S/C1=N/Cc1ccc(S(N)(=O)=O)cc1 ZINC000784123825 1072992920 /nfs/dbraw/zinc/99/29/20/1072992920.db2.gz GCJRDZCDHGPCEG-OBAOGOGRSA-N 0 0 438.531 -0.080 20 30 IBEDRN C#CCOCCN1C(=O)[C@@H](CC(=O)NC)S/C1=N\Cc1ccc(S(N)(=O)=O)cc1 ZINC000784123826 1072993395 /nfs/dbraw/zinc/99/33/95/1072993395.db2.gz GCJRDZCDHGPCEG-XAIYEJPOSA-N 0 0 438.531 -0.080 20 30 IBEDRN C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)O[C@@H](C)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000784212854 1072993551 /nfs/dbraw/zinc/99/35/51/1072993551.db2.gz QQBWIQVFFCOERT-OBJOEFQTSA-N 0 0 443.503 -0.540 20 30 IBEDRN C[C@@H](OC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000784212855 1072993414 /nfs/dbraw/zinc/99/34/14/1072993414.db2.gz QQBWIQVFFCOERT-OUCADQQQSA-N 0 0 443.503 -0.540 20 30 IBEDRN C[C@@H](OC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000784212856 1072993603 /nfs/dbraw/zinc/99/36/03/1072993603.db2.gz QQBWIQVFFCOERT-SCRDCRAPSA-N 0 0 443.503 -0.540 20 30 IBEDRN C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)O[C@@H](C)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000784212857 1072993559 /nfs/dbraw/zinc/99/35/59/1072993559.db2.gz QQBWIQVFFCOERT-SGMGOOAPSA-N 0 0 443.503 -0.540 20 30 IBEDRN C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)O[C@@H](C)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000784213231 1072993460 /nfs/dbraw/zinc/99/34/60/1072993460.db2.gz DPUGQVGAFAXZPI-OBJOEFQTSA-N 0 0 443.503 -0.540 20 30 IBEDRN C[C@@H](OC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000784213232 1072993545 /nfs/dbraw/zinc/99/35/45/1072993545.db2.gz DPUGQVGAFAXZPI-OUCADQQQSA-N 0 0 443.503 -0.540 20 30 IBEDRN C[C@@H](OC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000784213233 1072994004 /nfs/dbraw/zinc/99/40/04/1072994004.db2.gz DPUGQVGAFAXZPI-SCRDCRAPSA-N 0 0 443.503 -0.540 20 30 IBEDRN C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)O[C@@H](C)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000784213234 1072994076 /nfs/dbraw/zinc/99/40/76/1072994076.db2.gz DPUGQVGAFAXZPI-SGMGOOAPSA-N 0 0 443.503 -0.540 20 30 IBEDRN CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)OCC(=O)NC2(C#N)CCC2)s1 ZINC000784230040 1072993822 /nfs/dbraw/zinc/99/38/22/1072993822.db2.gz JKICWUULXVDJFO-UHFFFAOYSA-N 0 0 428.492 -0.232 20 30 IBEDRN C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)OC)CC1 ZINC000784318088 1072994474 /nfs/dbraw/zinc/99/44/74/1072994474.db2.gz NZCCTTBDBHQMRU-UHFFFAOYSA-N 0 0 438.462 -0.173 20 30 IBEDRN COCCN(CCO)C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 ZINC000784347599 1072994572 /nfs/dbraw/zinc/99/45/72/1072994572.db2.gz PBNLCBZYLZONFD-CAPFRKAQSA-N 0 0 426.495 -0.095 20 30 IBEDRN COCCN(CCO)C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 ZINC000784347600 1072994450 /nfs/dbraw/zinc/99/44/50/1072994450.db2.gz PBNLCBZYLZONFD-SILNSSARSA-N 0 0 426.495 -0.095 20 30 IBEDRN COCCN(CCO)C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 ZINC000784355058 1072994637 /nfs/dbraw/zinc/99/46/37/1072994637.db2.gz YMFYHTWVBYTIDY-CAPFRKAQSA-N 0 0 426.495 -0.095 20 30 IBEDRN COCCN(CCO)C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 ZINC000784355068 1072994668 /nfs/dbraw/zinc/99/46/68/1072994668.db2.gz YMFYHTWVBYTIDY-SILNSSARSA-N 0 0 426.495 -0.095 20 30 IBEDRN C#CCOCCNC(=O)NCCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1 ZINC000784410921 1072995026 /nfs/dbraw/zinc/99/50/26/1072995026.db2.gz CJWPLSBGXQZMAF-UHFFFAOYSA-N 0 0 433.508 -0.260 20 30 IBEDRN C#CCOCCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 ZINC000784591986 1072996604 /nfs/dbraw/zinc/99/66/04/1072996604.db2.gz PYZQENYIWIDUGM-UHFFFAOYSA-N 0 0 437.518 -0.076 20 30 IBEDRN COCCOc1ccc(C#N)cc1NC(=O)C(=O)NCCS(=O)(=O)N1CCOCC1 ZINC000784691910 1072997139 /nfs/dbraw/zinc/99/71/39/1072997139.db2.gz IZBQUDWKTYOTFY-UHFFFAOYSA-N 0 0 440.478 -0.700 20 30 IBEDRN C#CCNS(=O)(=O)c1ccc(C(=O)NC2(CC(=O)OC)CCS(=O)(=O)CC2)cc1 ZINC000784751816 1072997997 /nfs/dbraw/zinc/99/79/97/1072997997.db2.gz GJYMQUZPGUVTEP-UHFFFAOYSA-N 0 0 442.515 -0.162 20 30 IBEDRN C#CCNS(=O)(=O)c1cccc(C(=O)NC2(CC(=O)OC)CCS(=O)(=O)CC2)c1 ZINC000784752572 1072998343 /nfs/dbraw/zinc/99/83/43/1072998343.db2.gz KZRDVAIKZHPYGZ-UHFFFAOYSA-N 0 0 442.515 -0.162 20 30 IBEDRN CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N(CCO)CCCO)c1 ZINC000784770965 1072998252 /nfs/dbraw/zinc/99/82/52/1072998252.db2.gz TYZLAIRSYXMSRP-CAPFRKAQSA-N 0 0 426.495 -0.359 20 30 IBEDRN CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N(CCO)CCCO)c1 ZINC000784770967 1072998641 /nfs/dbraw/zinc/99/86/41/1072998641.db2.gz TYZLAIRSYXMSRP-SILNSSARSA-N 0 0 426.495 -0.359 20 30 IBEDRN CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N(CCO)CCCO)cc1 ZINC000784771303 1072998306 /nfs/dbraw/zinc/99/83/06/1072998306.db2.gz YWNCEBQGPMNYFH-CAPFRKAQSA-N 0 0 426.495 -0.359 20 30 IBEDRN CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N(CCO)CCCO)cc1 ZINC000784771304 1072998336 /nfs/dbraw/zinc/99/83/36/1072998336.db2.gz YWNCEBQGPMNYFH-SILNSSARSA-N 0 0 426.495 -0.359 20 30 IBEDRN CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N[C@@H]2CCC(=O)NC2=O)c1 ZINC000784860885 1073000461 /nfs/dbraw/zinc/00/04/61/1073000461.db2.gz DIXSATPQLYCNNF-JPHFOSBYSA-N 0 0 435.462 -0.641 20 30 IBEDRN CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N[C@H]2CCC(=O)NC2=O)c1 ZINC000784860887 1073000430 /nfs/dbraw/zinc/00/04/30/1073000430.db2.gz DIXSATPQLYCNNF-MDUHSQENSA-N 0 0 435.462 -0.641 20 30 IBEDRN CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N[C@H]2CCC(=O)NC2=O)c1 ZINC000784860889 1073000262 /nfs/dbraw/zinc/00/02/62/1073000262.db2.gz DIXSATPQLYCNNF-QIHSLCJDSA-N 0 0 435.462 -0.641 20 30 IBEDRN CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N[C@@H]2CCC(=O)NC2=O)c1 ZINC000784860891 1073000451 /nfs/dbraw/zinc/00/04/51/1073000451.db2.gz DIXSATPQLYCNNF-TZIWFACNSA-N 0 0 435.462 -0.641 20 30 IBEDRN CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCC(=O)NC2=O)cc1 ZINC000784862518 1073000286 /nfs/dbraw/zinc/00/02/86/1073000286.db2.gz LGCAIENSDUNINX-JPHFOSBYSA-N 0 0 435.462 -0.641 20 30 IBEDRN CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCC(=O)NC2=O)cc1 ZINC000784862520 1073000368 /nfs/dbraw/zinc/00/03/68/1073000368.db2.gz LGCAIENSDUNINX-MDUHSQENSA-N 0 0 435.462 -0.641 20 30 IBEDRN CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCC(=O)NC2=O)cc1 ZINC000784862523 1073000381 /nfs/dbraw/zinc/00/03/81/1073000381.db2.gz LGCAIENSDUNINX-QIHSLCJDSA-N 0 0 435.462 -0.641 20 30 IBEDRN CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCC(=O)NC2=O)cc1 ZINC000784862525 1073000406 /nfs/dbraw/zinc/00/04/06/1073000406.db2.gz LGCAIENSDUNINX-TZIWFACNSA-N 0 0 435.462 -0.641 20 30 IBEDRN C#CCN(CC#C)C(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 ZINC000784870888 1073000901 /nfs/dbraw/zinc/00/09/01/1073000901.db2.gz OVBUGCDGKXENOA-UHFFFAOYSA-N 0 0 432.502 -0.193 20 30 IBEDRN C#CCN(CC#C)C(=O)C(=O)Nc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1OC ZINC000784871065 1073000862 /nfs/dbraw/zinc/00/08/62/1073000862.db2.gz YEMGVCQHVOSUMG-UHFFFAOYSA-N 0 0 432.502 -0.335 20 30 IBEDRN CN(C)C(=O)NCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 ZINC000784903113 1070795730 /nfs/dbraw/zinc/79/57/30/1070795730.db2.gz SQSFFAGEGGRSSL-JCMHNJIXSA-N 0 0 438.510 -0.175 20 30 IBEDRN CN(C)C(=O)NCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 ZINC000784903114 1070795715 /nfs/dbraw/zinc/79/57/15/1070795715.db2.gz SQSFFAGEGGRSSL-PXLXIMEGSA-N 0 0 438.510 -0.175 20 30 IBEDRN CN(C)C(=O)NCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 ZINC000784903127 1070795298 /nfs/dbraw/zinc/79/52/98/1070795298.db2.gz SUVHBTIKJMIWKK-JCMHNJIXSA-N 0 0 438.510 -0.175 20 30 IBEDRN CN(C)C(=O)NCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 ZINC000784903129 1070795458 /nfs/dbraw/zinc/79/54/58/1070795458.db2.gz SUVHBTIKJMIWKK-PXLXIMEGSA-N 0 0 438.510 -0.175 20 30 IBEDRN CN(CC(C)(CO)CO)C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 ZINC000784906008 1070797951 /nfs/dbraw/zinc/79/79/51/1070797951.db2.gz FOLLNVRQQAACFX-LTGZKZEYSA-N 0 0 440.522 -0.113 20 30 IBEDRN CN(CC(C)(CO)CO)C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 ZINC000784906014 1070797931 /nfs/dbraw/zinc/79/79/31/1070797931.db2.gz FOLLNVRQQAACFX-PGMHBOJBSA-N 0 0 440.522 -0.113 20 30 IBEDRN CN(CC(C)(CO)CO)C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 ZINC000784906222 1070797767 /nfs/dbraw/zinc/79/77/67/1070797767.db2.gz IDDMTIBUVXYRIA-LTGZKZEYSA-N 0 0 440.522 -0.113 20 30 IBEDRN CN(CC(C)(CO)CO)C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 ZINC000784906223 1070797839 /nfs/dbraw/zinc/79/78/39/1070797839.db2.gz IDDMTIBUVXYRIA-PGMHBOJBSA-N 0 0 440.522 -0.113 20 30 IBEDRN CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2C[C@@H](O)[C@@H](O)C2)c1 ZINC000784913012 1070799919 /nfs/dbraw/zinc/79/99/19/1070799919.db2.gz UXWHEQQJZSQJIL-CBXPPRIUSA-N 0 0 438.506 -0.218 20 30 IBEDRN CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N2C[C@@H](O)[C@@H](O)C2)c1 ZINC000784913014 1070800013 /nfs/dbraw/zinc/80/00/13/1070800013.db2.gz UXWHEQQJZSQJIL-UEHMLLMQSA-N 0 0 438.506 -0.218 20 30 IBEDRN CN1CCCC1=NS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN3C(=O)N=NC3C2)cc1 ZINC000784926198 1070809037 /nfs/dbraw/zinc/80/90/37/1070809037.db2.gz IOQRMPSTFWMUHO-HMAPJEAMSA-N 0 0 447.477 -0.223 20 30 IBEDRN CN1CCCC1=NS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN3C(=O)N=NC3C2)cc1 ZINC000784926199 1070809062 /nfs/dbraw/zinc/80/90/62/1070809062.db2.gz IOQRMPSTFWMUHO-HYARGMPZSA-N 0 0 447.477 -0.223 20 30 IBEDRN CN1CCCC1=NS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCN3C(=O)N=NC3C2)c1 ZINC000784933880 1070812554 /nfs/dbraw/zinc/81/25/54/1070812554.db2.gz QSEMRMHPHVCHSG-HMAPJEAMSA-N 0 0 447.477 -0.223 20 30 IBEDRN CN1CCCC1=NS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCN3C(=O)N=NC3C2)c1 ZINC000784933882 1070813343 /nfs/dbraw/zinc/81/33/43/1070813343.db2.gz QSEMRMHPHVCHSG-HYARGMPZSA-N 0 0 447.477 -0.223 20 30 IBEDRN Cn1c2[nH]c(COC(=O)CCN=C3NS(=O)(=O)c4ccccc43)nc2c(=O)n(C)c1=O ZINC000784956514 1070841757 /nfs/dbraw/zinc/84/17/57/1070841757.db2.gz INFYCTGCNQXILC-UHFFFAOYSA-N 0 0 446.445 -0.868 20 30 IBEDRN C=CCNS(=O)(=O)c1cccc(C(=O)OCc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)c1 ZINC000785076244 1071006934 /nfs/dbraw/zinc/00/69/34/1071006934.db2.gz HVXVEURQARXALR-UHFFFAOYSA-N 0 0 433.446 -0.218 20 30 IBEDRN C=CCNS(=O)(=O)c1ccc(C(=O)OCc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)cc1 ZINC000785093697 1071048584 /nfs/dbraw/zinc/04/85/84/1071048584.db2.gz OPSAOVPAABBGON-UHFFFAOYSA-N 0 0 433.446 -0.218 20 30 IBEDRN Cn1c2[nH]c(COC(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)nc2c(=O)n(C)c1=O ZINC000785106857 1071055219 /nfs/dbraw/zinc/05/52/19/1071055219.db2.gz PLQITLBMFKXFKH-UHFFFAOYSA-N 0 0 446.445 -0.491 20 30 IBEDRN N#CCn1cc(NC(=O)C(=O)NC2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)cn1 ZINC000785114991 1071070863 /nfs/dbraw/zinc/07/08/63/1071070863.db2.gz QCOXCKJQPLOCAN-UHFFFAOYSA-N 0 0 446.445 -0.694 20 30 IBEDRN C#CCNS(=O)(=O)c1cccc(C(=O)OCc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)c1 ZINC000785131937 1071096932 /nfs/dbraw/zinc/09/69/32/1071096932.db2.gz ZVKLGSURSWZUDF-UHFFFAOYSA-N 0 0 431.430 -0.771 20 30 IBEDRN C#CCNS(=O)(=O)c1ccc(C(=O)OCc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)cc1 ZINC000785144611 1071116270 /nfs/dbraw/zinc/11/62/70/1071116270.db2.gz SMJNZKZCZGLRMQ-UHFFFAOYSA-N 0 0 431.430 -0.771 20 30 IBEDRN C#CCOCCNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC ZINC000785154951 1071126326 /nfs/dbraw/zinc/12/63/26/1071126326.db2.gz AFTISVYJHBQZSP-UHFFFAOYSA-N 0 0 439.490 -0.189 20 30 IBEDRN C#CCOCCNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1OC ZINC000785155904 1071128034 /nfs/dbraw/zinc/12/80/34/1071128034.db2.gz MYBHTMDYSIGTHR-UHFFFAOYSA-N 0 0 438.506 -0.664 20 30 IBEDRN C#CCOCCNC(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 ZINC000785157130 1071132103 /nfs/dbraw/zinc/13/21/03/1071132103.db2.gz XRBMZKRTOJUBNB-UHFFFAOYSA-N 0 0 438.506 -0.522 20 30 IBEDRN C#CCOCCNC(=O)C(=O)Nc1ccc(OCC)c(S(=O)(=O)N2CCOCC2)c1 ZINC000785163871 1071149672 /nfs/dbraw/zinc/14/96/72/1071149672.db2.gz IRXGEOGYSGNKJC-UHFFFAOYSA-N 0 0 439.490 -0.189 20 30 IBEDRN C#CCOCCNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC ZINC000785164095 1071155086 /nfs/dbraw/zinc/15/50/86/1071155086.db2.gz LDPPFTKKQZRKCL-UHFFFAOYSA-N 0 0 425.463 -0.579 20 30 IBEDRN C#CCOCCNC(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 ZINC000785165716 1071159022 /nfs/dbraw/zinc/15/90/22/1071159022.db2.gz XEDZBYNKDATKFA-UHFFFAOYSA-N 0 0 425.463 -0.579 20 30 IBEDRN Cn1c2[nH]c(COC(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)nc2c(=O)n(C)c1=O ZINC000785181908 1071249058 /nfs/dbraw/zinc/24/90/58/1071249058.db2.gz IESWBEUSHRXQLM-UHFFFAOYSA-N 0 0 431.430 -0.510 20 30 IBEDRN CCOC(=O)Nc1ccc(NC(=O)C(=O)N2CCN3C(=O)C(=O)NC[C@@H]3C2)cc1C#N ZINC000785211247 1071259720 /nfs/dbraw/zinc/25/97/20/1071259720.db2.gz KRRLOEJORLGELK-CYBMUJFWSA-N 0 0 428.405 -0.766 20 30 IBEDRN CCOC(=O)Nc1ccc(NC(=O)C(=O)N2CCN3C(=O)C(=O)NC[C@H]3C2)cc1C#N ZINC000785211249 1071259782 /nfs/dbraw/zinc/25/97/82/1071259782.db2.gz KRRLOEJORLGELK-ZDUSSCGKSA-N 0 0 428.405 -0.766 20 30 IBEDRN CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCCOCC(N)=O)c1 ZINC000785247840 1071334641 /nfs/dbraw/zinc/33/46/41/1071334641.db2.gz LZTLMBDWYYTQRW-QNGOZBTKSA-N 0 0 425.467 -0.944 20 30 IBEDRN CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCCOCC(N)=O)c1 ZINC000785247843 1071334580 /nfs/dbraw/zinc/33/45/80/1071334580.db2.gz LZTLMBDWYYTQRW-RCCKNPSSSA-N 0 0 425.467 -0.944 20 30 IBEDRN CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NCCOCC(N)=O)cc1 ZINC000785248422 1071335533 /nfs/dbraw/zinc/33/55/33/1071335533.db2.gz OQHLVILUFWQRQW-QNGOZBTKSA-N 0 0 425.467 -0.944 20 30 IBEDRN CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NCCOCC(N)=O)cc1 ZINC000785248423 1071335373 /nfs/dbraw/zinc/33/53/73/1071335373.db2.gz OQHLVILUFWQRQW-RCCKNPSSSA-N 0 0 425.467 -0.944 20 30 IBEDRN CN1CCCC1=NS(=O)(=O)c1ccc(NC(=O)C(=O)NN2CC(=O)N(C)C2=O)cc1 ZINC000785299647 1071428614 /nfs/dbraw/zinc/42/86/14/1071428614.db2.gz QGHQJDZNBNPPAO-DEDYPNTBSA-N 0 0 436.450 -0.637 20 30 IBEDRN CN1CCCC1=NS(=O)(=O)c1ccc(NC(=O)C(=O)NN2CC(=O)N(C)C2=O)cc1 ZINC000785299649 1071428706 /nfs/dbraw/zinc/42/87/06/1071428706.db2.gz QGHQJDZNBNPPAO-MOSHPQCFSA-N 0 0 436.450 -0.637 20 30 IBEDRN C[C@@H](CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1)S(N)(=O)=O ZINC000785300144 1071430253 /nfs/dbraw/zinc/43/02/53/1071430253.db2.gz RQGZQGHPFAHBPQ-BTNWAMHGSA-N 0 0 445.523 -0.769 20 30 IBEDRN C[C@@H](CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1)S(N)(=O)=O ZINC000785300145 1071430322 /nfs/dbraw/zinc/43/03/22/1071430322.db2.gz RQGZQGHPFAHBPQ-CJJSWDBDSA-N 0 0 445.523 -0.769 20 30 IBEDRN C[C@H](CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1)S(N)(=O)=O ZINC000785300146 1071430233 /nfs/dbraw/zinc/43/02/33/1071430233.db2.gz RQGZQGHPFAHBPQ-OHARDZCESA-N 0 0 445.523 -0.769 20 30 IBEDRN C[C@H](CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1)S(N)(=O)=O ZINC000785300147 1071430177 /nfs/dbraw/zinc/43/01/77/1071430177.db2.gz RQGZQGHPFAHBPQ-QTVDBSQPSA-N 0 0 445.523 -0.769 20 30 IBEDRN C[C@@H](CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1)S(N)(=O)=O ZINC000785301789 1071430396 /nfs/dbraw/zinc/43/03/96/1071430396.db2.gz ZRXALIMEDGAINU-BTNWAMHGSA-N 0 0 445.523 -0.769 20 30 IBEDRN C[C@@H](CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1)S(N)(=O)=O ZINC000785301791 1071430262 /nfs/dbraw/zinc/43/02/62/1071430262.db2.gz ZRXALIMEDGAINU-CJJSWDBDSA-N 0 0 445.523 -0.769 20 30 IBEDRN C[C@H](CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1)S(N)(=O)=O ZINC000785301794 1071430272 /nfs/dbraw/zinc/43/02/72/1071430272.db2.gz ZRXALIMEDGAINU-OHARDZCESA-N 0 0 445.523 -0.769 20 30 IBEDRN C[C@H](CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1)S(N)(=O)=O ZINC000785301796 1071430288 /nfs/dbraw/zinc/43/02/88/1071430288.db2.gz ZRXALIMEDGAINU-QTVDBSQPSA-N 0 0 445.523 -0.769 20 30 IBEDRN CN1CCCC1=NS(=O)(=O)c1cccc(NC(=O)C(=O)NN2CC(=O)N(C)C2=O)c1 ZINC000785305009 1071431727 /nfs/dbraw/zinc/43/17/27/1071431727.db2.gz QCTBXFJIQWMOOJ-DEDYPNTBSA-N 0 0 436.450 -0.637 20 30 IBEDRN CN1CCCC1=NS(=O)(=O)c1cccc(NC(=O)C(=O)NN2CC(=O)N(C)C2=O)c1 ZINC000785305011 1071432496 /nfs/dbraw/zinc/43/24/96/1071432496.db2.gz QCTBXFJIQWMOOJ-MOSHPQCFSA-N 0 0 436.450 -0.637 20 30 IBEDRN CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)NCCNc2ncccc2C#N)cc1 ZINC000785641786 1073700133 /nfs/dbraw/zinc/70/01/33/1073700133.db2.gz AXTADYWOGASSNM-UHFFFAOYSA-N 0 0 430.490 -0.153 20 30 IBEDRN CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)NCCNc2ccc(C#N)cn2)cc1 ZINC000785643041 1073700825 /nfs/dbraw/zinc/70/08/25/1073700825.db2.gz IEWMLBQINHWJIX-UHFFFAOYSA-N 0 0 430.490 -0.153 20 30 IBEDRN C#C[C@@H](NC(=O)C(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1)[C@@H]1CCCO1 ZINC000785644479 1073701475 /nfs/dbraw/zinc/70/14/75/1073701475.db2.gz DFJFRMIDGWDFRK-MOPGFXCFSA-N 0 0 449.529 -0.238 20 30 IBEDRN C#C[C@H](NC(=O)C(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1)[C@@H]1CCCO1 ZINC000785644481 1073701367 /nfs/dbraw/zinc/70/13/67/1073701367.db2.gz DFJFRMIDGWDFRK-OALUTQOASA-N 0 0 449.529 -0.238 20 30 IBEDRN C#C[C@H](NC(=O)C(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1)[C@H]1CCCO1 ZINC000785644483 1073701440 /nfs/dbraw/zinc/70/14/40/1073701440.db2.gz DFJFRMIDGWDFRK-RBUKOAKNSA-N 0 0 449.529 -0.238 20 30 IBEDRN C#C[C@@H](NC(=O)C(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1)[C@H]1CCCO1 ZINC000785644485 1073701471 /nfs/dbraw/zinc/70/14/71/1073701471.db2.gz DFJFRMIDGWDFRK-RTBURBONSA-N 0 0 449.529 -0.238 20 30 IBEDRN CCOC(=O)NCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000785657826 1073703791 /nfs/dbraw/zinc/70/37/91/1073703791.db2.gz DHJYGBXPGUJJJX-UHFFFAOYSA-N 0 0 438.462 -0.320 20 30 IBEDRN C#C[C@@H](NC(=O)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1)[C@@H]1CCCO1 ZINC000785749056 1073706596 /nfs/dbraw/zinc/70/65/96/1073706596.db2.gz HAXPZMJJGFOMGP-CABCVRRESA-N 0 0 441.531 -0.318 20 30 IBEDRN C#C[C@H](NC(=O)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1)[C@@H]1CCCO1 ZINC000785749057 1073706640 /nfs/dbraw/zinc/70/66/40/1073706640.db2.gz HAXPZMJJGFOMGP-GJZGRUSLSA-N 0 0 441.531 -0.318 20 30 IBEDRN C#C[C@@H](NC(=O)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1)[C@H]1CCCO1 ZINC000785749058 1073706654 /nfs/dbraw/zinc/70/66/54/1073706654.db2.gz HAXPZMJJGFOMGP-HUUCEWRRSA-N 0 0 441.531 -0.318 20 30 IBEDRN C#C[C@H](NC(=O)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1)[C@H]1CCCO1 ZINC000785749059 1073706668 /nfs/dbraw/zinc/70/66/68/1073706668.db2.gz HAXPZMJJGFOMGP-LSDHHAIUSA-N 0 0 441.531 -0.318 20 30 IBEDRN CNS(=O)(=O)CCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 ZINC000786000881 1073710675 /nfs/dbraw/zinc/71/06/75/1073710675.db2.gz BIWIAQPHXUUZCS-XSFVSMFZSA-N 0 0 445.523 -0.897 20 30 IBEDRN CNS(=O)(=O)CCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 ZINC000786000882 1073710684 /nfs/dbraw/zinc/71/06/84/1073710684.db2.gz BIWIAQPHXUUZCS-ZHZULCJRSA-N 0 0 445.523 -0.897 20 30 IBEDRN CNS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 ZINC000786002803 1073710466 /nfs/dbraw/zinc/71/04/66/1073710466.db2.gz LKUZEXJQRJKGRB-XSFVSMFZSA-N 0 0 445.523 -0.897 20 30 IBEDRN CNS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 ZINC000786002805 1073710476 /nfs/dbraw/zinc/71/04/76/1073710476.db2.gz LKUZEXJQRJKGRB-ZHZULCJRSA-N 0 0 445.523 -0.897 20 30 IBEDRN C[C@@H]1OC(=O)N[C@H]1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000786069353 1073712895 /nfs/dbraw/zinc/71/28/95/1073712895.db2.gz VFXLMZQNWPEICG-BLLLJJGKSA-N 0 0 436.446 -0.569 20 30 IBEDRN C[C@@H]1OC(=O)N[C@@H]1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000786069374 1073712867 /nfs/dbraw/zinc/71/28/67/1073712867.db2.gz VFXLMZQNWPEICG-LRDDRELGSA-N 0 0 436.446 -0.569 20 30 IBEDRN C[C@H]1OC(=O)N[C@H]1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000786069380 1073712887 /nfs/dbraw/zinc/71/28/87/1073712887.db2.gz VFXLMZQNWPEICG-MLGOLLRUSA-N 0 0 436.446 -0.569 20 30 IBEDRN C[C@H]1OC(=O)N[C@@H]1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000786069386 1073712847 /nfs/dbraw/zinc/71/28/47/1073712847.db2.gz VFXLMZQNWPEICG-WBMJQRKESA-N 0 0 436.446 -0.569 20 30 IBEDRN CN1C(=O)CC[C@@H]1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000786173494 1073716992 /nfs/dbraw/zinc/71/69/92/1073716992.db2.gz IEZRTXKSQCLUDE-OAHLLOKOSA-N 0 0 434.474 -0.445 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2ccc(C(=O)N3CCCC3)cc2)CC1 ZINC000786348629 1073720210 /nfs/dbraw/zinc/72/02/10/1073720210.db2.gz AQRUHZKXTGGTKH-UHFFFAOYSA-N 0 0 441.532 -0.015 20 30 IBEDRN C=CCNC(=O)CNC(=O)C(=O)Nc1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 ZINC000786408542 1073721871 /nfs/dbraw/zinc/72/18/71/1073721871.db2.gz GRNWFTZDJPMCGF-UHFFFAOYSA-N 0 0 447.496 -0.109 20 30 IBEDRN C#CCOc1ccc(NC(=O)C(=O)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)cc1 ZINC000786433828 1073722857 /nfs/dbraw/zinc/72/28/57/1073722857.db2.gz GSBYTWKILKILPU-UHFFFAOYSA-N 0 0 426.433 -0.874 20 30 IBEDRN CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)C(=O)Nc1cccc(OCC#N)c1)C2 ZINC000786433871 1073722900 /nfs/dbraw/zinc/72/29/00/1073722900.db2.gz HTGFGXPNTAFMSH-UHFFFAOYSA-N 0 0 427.421 -0.984 20 30 IBEDRN C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 ZINC000786435472 1073722936 /nfs/dbraw/zinc/72/29/36/1073722936.db2.gz PSGZOYNKESFVQA-UHFFFAOYSA-N 0 0 444.423 -0.735 20 30 IBEDRN C#CCOc1cccc(NC(=O)C(=O)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)c1 ZINC000786435643 1073722917 /nfs/dbraw/zinc/72/29/17/1073722917.db2.gz RDIRLYQNMYRRPB-UHFFFAOYSA-N 0 0 426.433 -0.874 20 30 IBEDRN C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 ZINC000786436493 1073723305 /nfs/dbraw/zinc/72/33/05/1073723305.db2.gz VBMFVFHXNVBIJW-CYBMUJFWSA-N 0 0 441.448 -0.595 20 30 IBEDRN C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 ZINC000786436519 1073722911 /nfs/dbraw/zinc/72/29/11/1073722911.db2.gz VBMFVFHXNVBIJW-ZDUSSCGKSA-N 0 0 441.448 -0.595 20 30 IBEDRN C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 ZINC000786436535 1073722949 /nfs/dbraw/zinc/72/29/49/1073722949.db2.gz VJIULOLRWHZJLK-UHFFFAOYSA-N 0 0 444.423 -0.735 20 30 IBEDRN CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)C(=O)Nc1ccc(F)cc1OCC#N)C2 ZINC000786437445 1073723197 /nfs/dbraw/zinc/72/31/97/1073723197.db2.gz XUKXSQZLISRRTN-UHFFFAOYSA-N 0 0 445.411 -0.845 20 30 IBEDRN C#CCOc1ccccc1NC(=O)C(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 ZINC000786438442 1073723183 /nfs/dbraw/zinc/72/31/83/1073723183.db2.gz ZRGKSRBXGKQEMX-UHFFFAOYSA-N 0 0 426.433 -0.874 20 30 IBEDRN Cn1c2ncn(CC(=O)[C@@H](C#N)C(=O)NCc3ccc(F)cc3F)c2c(=O)n(C)c1=O ZINC000786560883 1073724790 /nfs/dbraw/zinc/72/47/90/1073724790.db2.gz SFMASIRJWMCYHL-GFCCVEGCSA-N 0 0 430.371 -0.263 20 30 IBEDRN Cn1c2ncn(CC(=O)[C@H](C#N)C(=O)NCc3ccc(F)cc3F)c2c(=O)n(C)c1=O ZINC000786560887 1073724851 /nfs/dbraw/zinc/72/48/51/1073724851.db2.gz SFMASIRJWMCYHL-LBPRGKRZSA-N 0 0 430.371 -0.263 20 30 IBEDRN Cn1cnc2c1c(=O)n(CC(=O)[C@@H](C#N)C(=O)NCc1ccc(F)cc1F)c(=O)n2C ZINC000786564100 1073724912 /nfs/dbraw/zinc/72/49/12/1073724912.db2.gz PFMPJYBIUITHDE-GFCCVEGCSA-N 0 0 430.371 -0.263 20 30 IBEDRN Cn1cnc2c1c(=O)n(CC(=O)[C@H](C#N)C(=O)NCc1ccc(F)cc1F)c(=O)n2C ZINC000786564101 1073724930 /nfs/dbraw/zinc/72/49/30/1073724930.db2.gz PFMPJYBIUITHDE-LBPRGKRZSA-N 0 0 430.371 -0.263 20 30 IBEDRN Cn1c2ncn(CC(=O)[C@@H](C#N)C(=O)NCc3ccc(F)c(F)c3)c2c(=O)n(C)c1=O ZINC000786571680 1073724895 /nfs/dbraw/zinc/72/48/95/1073724895.db2.gz ZERNGGRDBAKRBN-LLVKDONJSA-N 0 0 430.371 -0.263 20 30 IBEDRN Cn1c2ncn(CC(=O)[C@H](C#N)C(=O)NCc3ccc(F)c(F)c3)c2c(=O)n(C)c1=O ZINC000786571681 1073724937 /nfs/dbraw/zinc/72/49/37/1073724937.db2.gz ZERNGGRDBAKRBN-NSHDSACASA-N 0 0 430.371 -0.263 20 30 IBEDRN Cn1cnc2c1c(=O)n(CC(=O)[C@@H](C#N)C(=O)NCc1ccc(F)c(F)c1)c(=O)n2C ZINC000786573383 1073724906 /nfs/dbraw/zinc/72/49/06/1073724906.db2.gz YLCFKIRGXILCMN-LLVKDONJSA-N 0 0 430.371 -0.263 20 30 IBEDRN Cn1cnc2c1c(=O)n(CC(=O)[C@H](C#N)C(=O)NCc1ccc(F)c(F)c1)c(=O)n2C ZINC000786573384 1073724760 /nfs/dbraw/zinc/72/47/60/1073724760.db2.gz YLCFKIRGXILCMN-NSHDSACASA-N 0 0 430.371 -0.263 20 30 IBEDRN N#Cc1cccnc1NCCNC(=O)C(=O)NCCCN1CCN(c2ncccn2)CC1 ZINC000786647503 1073727209 /nfs/dbraw/zinc/72/72/09/1073727209.db2.gz DMMRYKJWZKXGBQ-UHFFFAOYSA-N 0 0 437.508 -0.400 20 30 IBEDRN N#Cc1ccc(NCCNC(=O)C(=O)NCCCN2CCN(c3ncccn3)CC2)nc1 ZINC000786655198 1073725856 /nfs/dbraw/zinc/72/58/56/1073725856.db2.gz JSCZIFPYUZAYGK-UHFFFAOYSA-N 0 0 437.508 -0.400 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccc(N3CCN(C(C)=O)CC3)cc2)C1=O ZINC000786660626 1073725983 /nfs/dbraw/zinc/72/59/83/1073725983.db2.gz GMRGIFKSXXXWSU-UHFFFAOYSA-N 0 0 427.461 -0.052 20 30 IBEDRN Cn1c2ncc(S(=O)(=O)N3CCN(c4ccc(C#N)nc4)CC3)cc2c(=O)[nH]c1=O ZINC000786909815 1073731270 /nfs/dbraw/zinc/73/12/70/1073731270.db2.gz XJICDTLDCKYRKP-UHFFFAOYSA-N 0 0 427.446 -0.188 20 30 IBEDRN C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCC[C@](O)(c2nccn2C)C(F)(F)F)C1=O ZINC000787070759 1073734825 /nfs/dbraw/zinc/73/48/25/1073734825.db2.gz DLANTIWBHBWYSA-PXAZEXFGSA-N 0 0 431.415 -0.078 20 30 IBEDRN C=CCN1CC[C@H](N(C)C(=O)C(=O)NCC[C@](O)(c2nccn2C)C(F)(F)F)C1=O ZINC000787070765 1073734863 /nfs/dbraw/zinc/73/48/63/1073734863.db2.gz DLANTIWBHBWYSA-SJCJKPOMSA-N 0 0 431.415 -0.078 20 30 IBEDRN C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCC[C@@](O)(c2nccn2C)C(F)(F)F)C1=O ZINC000787070768 1073734986 /nfs/dbraw/zinc/73/49/86/1073734986.db2.gz DLANTIWBHBWYSA-SJKOYZFVSA-N 0 0 431.415 -0.078 20 30 IBEDRN C=CCN1CC[C@H](N(C)C(=O)C(=O)NCC[C@@](O)(c2nccn2C)C(F)(F)F)C1=O ZINC000787070770 1073734851 /nfs/dbraw/zinc/73/48/51/1073734851.db2.gz DLANTIWBHBWYSA-YVEFUNNKSA-N 0 0 431.415 -0.078 20 30 IBEDRN N#Cc1ccc(NCCNC(=O)C(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)nc1 ZINC000787183449 1073740524 /nfs/dbraw/zinc/74/05/24/1073740524.db2.gz WJKWLLINJACNMC-UHFFFAOYSA-N 0 0 449.471 -0.630 20 30 IBEDRN N#Cc1cccnc1NCCNC(=O)C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 ZINC000787186027 1073740593 /nfs/dbraw/zinc/74/05/93/1073740593.db2.gz YFMARCHJLJKYPA-UHFFFAOYSA-N 0 0 449.471 -0.630 20 30 IBEDRN Cc1nn(C)c(N2CCN(C(=O)C(=O)NCc3ccc(-n4cncn4)nc3)CC2)c1C#N ZINC000787258923 1073741685 /nfs/dbraw/zinc/74/16/85/1073741685.db2.gz YRIICFISTBSTFW-UHFFFAOYSA-N 0 0 434.464 -0.459 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2ccc(-n3ccnc3C)nc2)CC1 ZINC000787477781 1073746258 /nfs/dbraw/zinc/74/62/58/1073746258.db2.gz LEWBRDCQIBZWHI-UHFFFAOYSA-N 0 0 425.493 -0.362 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(N3CCNC3=O)ccc2C)CC1 ZINC000787513325 1073746393 /nfs/dbraw/zinc/74/63/93/1073746393.db2.gz JLMQXVQZTIQTII-UHFFFAOYSA-N 0 0 428.493 -0.090 20 30 IBEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)CCn2ccnn2)CC1 ZINC000787627799 1073752137 /nfs/dbraw/zinc/75/21/37/1073752137.db2.gz VFSICXNDHCATRL-UHFFFAOYSA-N 0 0 432.462 -0.384 20 30 IBEDRN C[C@@H](OC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)C(=O)NC1(C#N)CCC1 ZINC000787628759 1073752112 /nfs/dbraw/zinc/75/21/12/1073752112.db2.gz NRLPMUWFFHIJQD-CYBMUJFWSA-N 0 0 434.474 -0.085 20 30 IBEDRN C[C@H](OC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)C(=O)NC1(C#N)CCC1 ZINC000787628760 1073752124 /nfs/dbraw/zinc/75/21/24/1073752124.db2.gz NRLPMUWFFHIJQD-ZDUSSCGKSA-N 0 0 434.474 -0.085 20 30 IBEDRN C[C@@H](OC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1)C(=O)NC1(C#N)CCC1 ZINC000787633685 1073752289 /nfs/dbraw/zinc/75/22/89/1073752289.db2.gz JOJWUZQXMRBPQK-CYBMUJFWSA-N 0 0 434.474 -0.085 20 30 IBEDRN C[C@H](OC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1)C(=O)NC1(C#N)CCC1 ZINC000787633686 1073752370 /nfs/dbraw/zinc/75/23/70/1073752370.db2.gz JOJWUZQXMRBPQK-ZDUSSCGKSA-N 0 0 434.474 -0.085 20 30 IBEDRN Cc1cc(NC(=O)CN2CCN(C(=O)C(=O)NCCNc3ncccc3C#N)CC2)no1 ZINC000787754832 1073753828 /nfs/dbraw/zinc/75/38/28/1073753828.db2.gz HHFQAHPJTREDTI-UHFFFAOYSA-N 0 0 440.464 -0.439 20 30 IBEDRN CN1CCN(C(=O)CC2CCN(C(=O)C(=O)NCCNc3ncccc3C#N)CC2)CC1 ZINC000787756528 1073753848 /nfs/dbraw/zinc/75/38/48/1073753848.db2.gz AFDIETYQNWIIEQ-UHFFFAOYSA-N 0 0 441.536 -0.116 20 30 IBEDRN C[C@H]1CN(C(=O)C(=O)NCCNc2ncccc2C#N)CCN1c1nccn2cnnc12 ZINC000787757271 1073753649 /nfs/dbraw/zinc/75/36/49/1073753649.db2.gz CWJQIUKHHBYKBX-AWEZNQCLSA-N 0 0 434.464 -0.344 20 30 IBEDRN C[C@@H]1CN(C(=O)C(=O)NCCNc2ncccc2C#N)CCN1c1nccn2cnnc12 ZINC000787757279 1073753803 /nfs/dbraw/zinc/75/38/03/1073753803.db2.gz CWJQIUKHHBYKBX-CQSZACIVSA-N 0 0 434.464 -0.344 20 30 IBEDRN N#Cc1cccnc1NCCNC(=O)C(=O)N1CCN(CC(=O)N2CCCCC2)CC1 ZINC000787760855 1073754346 /nfs/dbraw/zinc/75/43/46/1073754346.db2.gz VTGYSISNSOZSLE-UHFFFAOYSA-N 0 0 427.509 -0.362 20 30 IBEDRN N#Cc1cccnc1NCCNC(=O)C(=O)NCC(=O)N1CCN(c2ccccc2)CC1 ZINC000787773592 1073754214 /nfs/dbraw/zinc/75/42/14/1073754214.db2.gz AYDVRQCZGVOXSI-UHFFFAOYSA-N 0 0 435.488 -0.054 20 30 IBEDRN Cn1ncc2c1ncnc2N1CCN(C(=O)C(=O)NCCNc2ncccc2C#N)CC1 ZINC000787775242 1073754178 /nfs/dbraw/zinc/75/41/78/1073754178.db2.gz OLAYRVOGWNUVBC-UHFFFAOYSA-N 0 0 434.464 -0.493 20 30 IBEDRN N#Cc1cccnc1NCCNC(=O)C(=O)N1CCN(CC(=O)NCc2ccccc2)CC1 ZINC000787776377 1073754841 /nfs/dbraw/zinc/75/48/41/1073754841.db2.gz FZFWOTUKFDOLEF-UHFFFAOYSA-N 0 0 449.515 -0.058 20 30 IBEDRN N#Cc1cccnc1NCCNC(=O)C(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000787776460 1073754228 /nfs/dbraw/zinc/75/42/28/1073754228.db2.gz VJHGURSGQLRCLR-UHFFFAOYSA-N 0 0 448.427 -0.088 20 30 IBEDRN Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)NCCNc2ncccc2C#N)s1 ZINC000787777090 1073754818 /nfs/dbraw/zinc/75/48/18/1073754818.db2.gz HFKINXASBOQCPS-UHFFFAOYSA-N 0 0 436.519 -0.054 20 30 IBEDRN CCN(CC)C(=O)CN1CCCN(C(=O)C(=O)NCCNc2ncccc2C#N)CC1 ZINC000787777203 1073754947 /nfs/dbraw/zinc/75/49/47/1073754947.db2.gz IQEFWABCTCLDHN-UHFFFAOYSA-N 0 0 429.525 -0.116 20 30 IBEDRN C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)NCCNc2ncccc2C#N)CC1 ZINC000787778837 1073754759 /nfs/dbraw/zinc/75/47/59/1073754759.db2.gz SBKUYTIWPDNWEM-INIZCTEOSA-N 0 0 427.509 -0.364 20 30 IBEDRN C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)NCCNc2ncccc2C#N)CC1 ZINC000787778845 1073754903 /nfs/dbraw/zinc/75/49/03/1073754903.db2.gz SBKUYTIWPDNWEM-MRXNPFEDSA-N 0 0 427.509 -0.364 20 30 IBEDRN CN1CCN(C(=O)C2CCN(C(=O)C(=O)NCCNc3ncccc3C#N)CC2)CC1 ZINC000787786918 1073754850 /nfs/dbraw/zinc/75/48/50/1073754850.db2.gz FITJOGNPLJJARX-UHFFFAOYSA-N 0 0 427.509 -0.506 20 30 IBEDRN N#Cc1cccnc1NCCNC(=O)C(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000787789417 1073754831 /nfs/dbraw/zinc/75/48/31/1073754831.db2.gz ANJNNQKRAFKVDA-UHFFFAOYSA-N 0 0 447.477 -0.856 20 30 IBEDRN COCc1noc(CN2CCN(C(=O)C(=O)NCCNc3ncccc3C#N)CC2)n1 ZINC000787789757 1073754906 /nfs/dbraw/zinc/75/49/06/1073754906.db2.gz GIIUGVIINHJYLS-UHFFFAOYSA-N 0 0 428.453 -0.645 20 30 IBEDRN CCOC1CC(CNC(=O)C(=O)NCCNc2ncccc2C#N)(N2CCOCC2)C1 ZINC000787791026 1073754929 /nfs/dbraw/zinc/75/49/29/1073754929.db2.gz QXBBHMKYAGGTRI-UHFFFAOYSA-N 0 0 430.509 -0.133 20 30 IBEDRN C#CCn1ccc(CN(CCOC)C(=O)C(=O)NCc2cccc(S(=O)(=O)NC)c2)n1 ZINC000787853158 1073755365 /nfs/dbraw/zinc/75/53/65/1073755365.db2.gz WSOIKIMDEWGMOQ-UHFFFAOYSA-N 0 0 447.517 -0.284 20 30 IBEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(c3c(C#N)c(C)nn3C)CC2)c1=O ZINC000788044465 1073760895 /nfs/dbraw/zinc/76/08/95/1073760895.db2.gz NKVYJSAUWCDPSA-UHFFFAOYSA-N 0 0 426.481 -0.763 20 30 IBEDRN C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(CCNC(=O)OC)s2)CC1 ZINC000788045046 1073761554 /nfs/dbraw/zinc/76/15/54/1073761554.db2.gz ACELZQKHSIEFOO-UHFFFAOYSA-N 0 0 428.536 -0.298 20 30 IBEDRN CCOC(=O)N1CCN(S(=O)(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)CC1 ZINC000788077397 1073763924 /nfs/dbraw/zinc/76/39/24/1073763924.db2.gz JNYMSXGPBLPHSM-UHFFFAOYSA-N 0 0 425.515 -0.259 20 30 IBEDRN Cc1nn(C)c(N2CCN(C(=O)NCCS(=O)(=O)N3CCOCC3)CC2)c1C#N ZINC000788096141 1073764678 /nfs/dbraw/zinc/76/46/78/1073764678.db2.gz LHDLYJJRCQBSJA-UHFFFAOYSA-N 0 0 425.515 -0.906 20 30 IBEDRN Cc1nn(C)c(N2CCN(C(=O)NC3CCN(CCS(C)(=O)=O)CC3)CC2)c1C#N ZINC000788102694 1073764084 /nfs/dbraw/zinc/76/40/84/1073764084.db2.gz KEYSGVVDMJTWCM-UHFFFAOYSA-N 0 0 437.570 -0.059 20 30 IBEDRN Cc1nn(C)c(N2CCN(C(=O)C3=NN([C@H]4CCS(=O)(=O)C4)C(=O)CC3)CC2)c1C#N ZINC000788106038 1073764184 /nfs/dbraw/zinc/76/41/84/1073764184.db2.gz JFWCIFGPCSMTPA-AWEZNQCLSA-N 0 0 447.521 -0.586 20 30 IBEDRN Cc1nn(C)c(N2CCN(C(=O)C3=NN([C@@H]4CCS(=O)(=O)C4)C(=O)CC3)CC2)c1C#N ZINC000788106047 1073764193 /nfs/dbraw/zinc/76/41/93/1073764193.db2.gz JFWCIFGPCSMTPA-CQSZACIVSA-N 0 0 447.521 -0.586 20 30 IBEDRN Cc1nn(C)c(N2CCN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CC2)c1C#N ZINC000788114046 1073764641 /nfs/dbraw/zinc/76/46/41/1073764641.db2.gz MMCNGOAIBJKSTA-UHFFFAOYSA-N 0 0 427.490 -0.013 20 30 IBEDRN CC(=O)N1CC(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 ZINC000788158355 1073766608 /nfs/dbraw/zinc/76/66/08/1073766608.db2.gz IMBHTSNKVZTVNR-UHFFFAOYSA-N 0 0 434.474 -0.587 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000788242107 1073767687 /nfs/dbraw/zinc/76/76/87/1073767687.db2.gz GALSHFWYDAICMM-INIZCTEOSA-N 0 0 437.541 -0.052 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000788242109 1073767713 /nfs/dbraw/zinc/76/77/13/1073767713.db2.gz GALSHFWYDAICMM-MRXNPFEDSA-N 0 0 437.541 -0.052 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2ccc(N3CCOCC3)cc2)CC1 ZINC000788311775 1073768823 /nfs/dbraw/zinc/76/88/23/1073768823.db2.gz ZRTRZCIQYZIDSR-UHFFFAOYSA-N 0 0 429.521 -0.414 20 30 IBEDRN C#CCn1ccc(CN(CCOC)[C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2=O)n1 ZINC000788329992 1073768841 /nfs/dbraw/zinc/76/88/41/1073768841.db2.gz COSIAIQOOGESKG-GOSISDBHSA-N 0 0 445.501 -0.056 20 30 IBEDRN C#CCn1ccc(CN(CCOC)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2=O)n1 ZINC000788329997 1073768808 /nfs/dbraw/zinc/76/88/08/1073768808.db2.gz COSIAIQOOGESKG-SFHVURJKSA-N 0 0 445.501 -0.056 20 30 IBEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC[C@H](N3CCCS3(=O)=O)C2)c1=O ZINC000788385107 1073770421 /nfs/dbraw/zinc/77/04/21/1073770421.db2.gz BXCZTTOEAVXKLX-HNNXBMFYSA-N 0 0 425.511 -0.999 20 30 IBEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC[C@@H](N3CCCS3(=O)=O)C2)c1=O ZINC000788385112 1073770528 /nfs/dbraw/zinc/77/05/28/1073770528.db2.gz BXCZTTOEAVXKLX-OAHLLOKOSA-N 0 0 425.511 -0.999 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000788414305 1073771420 /nfs/dbraw/zinc/77/14/20/1073771420.db2.gz WLXRTIGXPOGUJW-UHFFFAOYSA-N 0 0 437.541 -0.052 20 30 IBEDRN CC(C)NC(=O)C(=O)N1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC000788571503 1073771975 /nfs/dbraw/zinc/77/19/75/1073771975.db2.gz ZEYACFQDTYVNOR-UHFFFAOYSA-N 0 0 435.506 -0.689 20 30 IBEDRN C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)n1 ZINC000788694863 1073773847 /nfs/dbraw/zinc/77/38/47/1073773847.db2.gz ZEJBIOJLAFKOCJ-UHFFFAOYSA-N 0 0 432.462 -0.299 20 30 IBEDRN C#CCn1ccc(CN(CCOC)C(=O)Cn2c3ccc(S(N)(=O)=O)cc3oc2=O)n1 ZINC000788813716 1073774247 /nfs/dbraw/zinc/77/42/47/1073774247.db2.gz HDQUHKWDLWHNPH-UHFFFAOYSA-N 0 0 447.473 -0.253 20 30 IBEDRN C#CCn1ccc(CN(CCOC)C(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)n1 ZINC000788818929 1073773676 /nfs/dbraw/zinc/77/36/76/1073773676.db2.gz CHAFZKCPZOCRBJ-UHFFFAOYSA-N 0 0 427.465 -0.671 20 30 IBEDRN C#CCn1ccc(CN(CCOC)C(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)n1 ZINC000788821060 1073773789 /nfs/dbraw/zinc/77/37/89/1073773789.db2.gz WMJYSXIXQXWBRH-INIZCTEOSA-N 0 0 435.506 -0.343 20 30 IBEDRN C#CCn1ccc(CN(CCOC)C(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)n1 ZINC000788821065 1073774305 /nfs/dbraw/zinc/77/43/05/1073774305.db2.gz WMJYSXIXQXWBRH-MRXNPFEDSA-N 0 0 435.506 -0.343 20 30 IBEDRN O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000788848596 1073774487 /nfs/dbraw/zinc/77/44/87/1073774487.db2.gz JDRMWCSCKKRYDU-CYBMUJFWSA-N 0 0 426.520 -0.248 20 30 IBEDRN O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000788848598 1073774426 /nfs/dbraw/zinc/77/44/26/1073774426.db2.gz JDRMWCSCKKRYDU-ZDUSSCGKSA-N 0 0 426.520 -0.248 20 30 IBEDRN C#CCn1ccc(CN(CCOC)C(=O)NCCN2CCN(S(C)(=O)=O)CC2)n1 ZINC000788936422 1073775553 /nfs/dbraw/zinc/77/55/53/1073775553.db2.gz CAKNHCVGXZGIPT-UHFFFAOYSA-N 0 0 426.543 -0.749 20 30 IBEDRN C#CCn1ccc(CN(CCOC)CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)n1 ZINC000789323011 1073778719 /nfs/dbraw/zinc/77/87/19/1073778719.db2.gz UVQTTWOMIKQHLG-IBGZPJMESA-N 0 0 437.566 -0.704 20 30 IBEDRN C#CCn1ccc(CN(CCOC)CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)n1 ZINC000789323021 1073778845 /nfs/dbraw/zinc/77/88/45/1073778845.db2.gz UVQTTWOMIKQHLG-LJQANCHMSA-N 0 0 437.566 -0.704 20 30 IBEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCc3c(cccc3S(=O)(=O)NC)C2)c1=O ZINC000789489374 1073781101 /nfs/dbraw/zinc/78/11/01/1073781101.db2.gz DGOVXPPRISVDMA-UHFFFAOYSA-N 0 0 447.517 -0.532 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2cccc(N3CCOC3=O)c2)CC1 ZINC000789543731 1073781606 /nfs/dbraw/zinc/78/16/06/1073781606.db2.gz XGCMGNPTIPIFMM-UHFFFAOYSA-N 0 0 429.477 -0.294 20 30 IBEDRN C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2cc(F)cc(S(N)(=O)=O)c2)n1 ZINC000789787378 1073783761 /nfs/dbraw/zinc/78/37/61/1073783761.db2.gz GGTPVFDCDXYJAI-UHFFFAOYSA-N 0 0 437.453 -0.084 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000789801232 1073784516 /nfs/dbraw/zinc/78/45/16/1073784516.db2.gz ZWEMPSWBJTXCCJ-UHFFFAOYSA-N 0 0 447.511 -0.275 20 30 IBEDRN N#Cc1cccnc1N1CCN(C(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)CC1 ZINC000789890250 1073785541 /nfs/dbraw/zinc/78/55/41/1073785541.db2.gz XCQIRUIZRSMISO-HNNXBMFYSA-N 0 0 430.490 -0.233 20 30 IBEDRN N#Cc1cccnc1N1CCN(C(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)CC1 ZINC000789890265 1073785668 /nfs/dbraw/zinc/78/56/68/1073785668.db2.gz XCQIRUIZRSMISO-OAHLLOKOSA-N 0 0 430.490 -0.233 20 30 IBEDRN CCOC(=O)CON=C(C(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1)c1ccn[nH]1 ZINC000789944760 1073787080 /nfs/dbraw/zinc/78/70/80/1073787080.db2.gz YYLQREBKMKTQPY-CYBMUJFWSA-N 0 0 427.483 -0.975 20 30 IBEDRN CCOC(=O)CON=C(C(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1)c1ccn[nH]1 ZINC000789944761 1073787252 /nfs/dbraw/zinc/78/72/52/1073787252.db2.gz YYLQREBKMKTQPY-ZDUSSCGKSA-N 0 0 427.483 -0.975 20 30 IBEDRN CCOC(=O)CON=C(C(=O)N1CCN(CC(=O)Nc2cc(C)on2)CC1)c1ccn[nH]1 ZINC000789948693 1073787207 /nfs/dbraw/zinc/78/72/07/1073787207.db2.gz CSCADAFLIXHUSO-UHFFFAOYSA-N 0 0 447.452 -0.227 20 30 IBEDRN CCOC(=O)CON=C(C(=O)N1CCN(CC(=O)N2CCCCC2)CC1)c1ccn[nH]1 ZINC000789951339 1073787634 /nfs/dbraw/zinc/78/76/34/1073787634.db2.gz ZJUHSKSHRRNLLY-UHFFFAOYSA-N 0 0 434.497 -0.150 20 30 IBEDRN CCOC(=O)CON=C(C(=O)NCc1ccc(S(=O)(=O)NC)s1)c1cc[nH]n1 ZINC000789953829 1073787664 /nfs/dbraw/zinc/78/76/64/1073787664.db2.gz ZZVWCSSRWIHCOT-UHFFFAOYSA-N 0 0 429.480 -0.021 20 30 IBEDRN CCOC(=O)CON=C(C(=O)NCCS(=O)(=O)N1CCSCC1)c1cc[nH]n1 ZINC000789972892 1073788981 /nfs/dbraw/zinc/78/89/81/1073788981.db2.gz LTMLNWMHXSHKNA-UHFFFAOYSA-N 0 0 433.512 -0.812 20 30 IBEDRN CCOC(=O)CON=C(C(=O)N1CCN(C(=O)c2ccc(=O)[nH]c2)CC1)c1ccn[nH]1 ZINC000789974942 1073788237 /nfs/dbraw/zinc/78/82/37/1073788237.db2.gz YEYOHSUVDHUVLV-UHFFFAOYSA-N 0 0 430.421 -0.221 20 30 IBEDRN CCOC(=O)CON=C(C(=O)N1CCC(N(C)S(=O)(=O)CC)CC1)c1ccn[nH]1 ZINC000789975839 1073788337 /nfs/dbraw/zinc/78/83/37/1073788337.db2.gz DONDGQYCDDSMDC-UHFFFAOYSA-N 0 0 429.499 -0.034 20 30 IBEDRN CCOC(=O)CON=C(C(=O)N1CCC(N(CC)S(C)(=O)=O)CC1)c1ccn[nH]1 ZINC000789976651 1073788359 /nfs/dbraw/zinc/78/83/59/1073788359.db2.gz KSAZUGYQBQTPKS-UHFFFAOYSA-N 0 0 429.499 -0.034 20 30 IBEDRN CCOC(=O)CON=C(C(=O)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1)c1ccn[nH]1 ZINC000789989512 1073788267 /nfs/dbraw/zinc/78/82/67/1073788267.db2.gz JOKSHPSTCCFEGO-HNNXBMFYSA-N 0 0 434.497 -0.151 20 30 IBEDRN CCOC(=O)CON=C(C(=O)N1CCN([C@H](C)C(=O)N2CCCC2)CC1)c1ccn[nH]1 ZINC000789989518 1073788251 /nfs/dbraw/zinc/78/82/51/1073788251.db2.gz JOKSHPSTCCFEGO-OAHLLOKOSA-N 0 0 434.497 -0.151 20 30 IBEDRN CCOC(=O)CON=C(C(=O)NC1CCN(S(=O)(=O)C2CC2)CC1)c1cc[nH]n1 ZINC000789990456 1073788287 /nfs/dbraw/zinc/78/82/87/1073788287.db2.gz PPVIHUGLJKXOAK-UHFFFAOYSA-N 0 0 427.483 -0.234 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2c(OC)cc(OC)cc2OC)CC1 ZINC000790089788 1073790619 /nfs/dbraw/zinc/79/06/19/1073790619.db2.gz ICRUOMAYPLEMKA-UHFFFAOYSA-N 0 0 434.493 -0.225 20 30 IBEDRN C#CCn1ccc(CN(CCOC)C(=O)[C@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)n1 ZINC000790106159 1073789890 /nfs/dbraw/zinc/78/98/90/1073789890.db2.gz UGMHEDQNAAVHKG-HNNXBMFYSA-N 0 0 447.517 -0.043 20 30 IBEDRN C#CCn1ccc(CN(CCOC)C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)n1 ZINC000790106160 1073789875 /nfs/dbraw/zinc/78/98/75/1073789875.db2.gz UGMHEDQNAAVHKG-OAHLLOKOSA-N 0 0 447.517 -0.043 20 30 IBEDRN COC(=O)c1ccc(C=c2sc(=C(C#N)C#N)n(CC(N)=O)c2=O)c(Br)c1 ZINC000790110814 1073789942 /nfs/dbraw/zinc/78/99/42/1073789942.db2.gz DLBLZZZGZBNJOQ-UHFFFAOYSA-N 0 0 447.270 -0.029 20 30 IBEDRN C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc3c(c2)CCN(C(C)=O)CC3)CC1 ZINC000790189162 1073791315 /nfs/dbraw/zinc/79/13/15/1073791315.db2.gz PWZAXLXPZHRJAM-UHFFFAOYSA-N 0 0 432.546 -0.311 20 30 IBEDRN CCOC(=O)CON=C(C(=O)N1CCC[C@@H](N2CCCS2(=O)=O)C1)c1ccn[nH]1 ZINC000790223077 1073792443 /nfs/dbraw/zinc/79/24/43/1073792443.db2.gz UDLSCGLOOFENGV-CYBMUJFWSA-N 0 0 427.483 -0.280 20 30 IBEDRN CCOC(=O)CON=C(C(=O)N1CCC[C@H](N2CCCS2(=O)=O)C1)c1ccn[nH]1 ZINC000790223081 1073792399 /nfs/dbraw/zinc/79/23/99/1073792399.db2.gz UDLSCGLOOFENGV-ZDUSSCGKSA-N 0 0 427.483 -0.280 20 30 IBEDRN C=CCN1CC[C@H](N(C)C(=O)C(=O)NCCN2CCN(C(=O)OC(C)(C)C)CC2)C1=O ZINC000790313248 1073794629 /nfs/dbraw/zinc/79/46/29/1073794629.db2.gz XARSQIOITFGGOD-INIZCTEOSA-N 0 0 437.541 -0.099 20 30 IBEDRN C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCCN2CCN(C(=O)OC(C)(C)C)CC2)C1=O ZINC000790313250 1073794734 /nfs/dbraw/zinc/79/47/34/1073794734.db2.gz XARSQIOITFGGOD-MRXNPFEDSA-N 0 0 437.541 -0.099 20 30 IBEDRN C#CCn1c(=O)c(=Cc2ccnn2-c2ccccc2)sc1=C(C#N)C(=O)NCCOC ZINC000790360931 1073798016 /nfs/dbraw/zinc/79/80/16/1073798016.db2.gz QRDSZMFFCJFWIP-UHFFFAOYSA-N 0 0 433.493 -0.006 20 30 IBEDRN CS(=O)(=O)NCCn1c(=O)c(=Cc2ccnn2-c2ccccc2)sc1=C(C#N)C#N ZINC000790361623 1073798026 /nfs/dbraw/zinc/79/80/26/1073798026.db2.gz XGJHLHLSHRGBIV-UHFFFAOYSA-N 0 0 440.510 -0.329 20 30 IBEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)n2)c(=O)n1CCOC ZINC000790423020 1073798844 /nfs/dbraw/zinc/79/88/44/1073798844.db2.gz VJHRVMRTXYCEJP-UHFFFAOYSA-N 0 0 432.502 -0.384 20 30 IBEDRN COCCn1c(=O)c(=Cc2cccc(OC)n2)sc1=C(C#N)C(=O)N[C@H](C)COC ZINC000790423154 1073798682 /nfs/dbraw/zinc/79/86/82/1073798682.db2.gz WKZVOQVPTLIADD-CYBMUJFWSA-N 0 0 432.502 -0.386 20 30 IBEDRN COCCn1c(=O)c(=Cc2cccc(OC)n2)sc1=C(C#N)C(=O)N[C@@H](C)COC ZINC000790423158 1073798648 /nfs/dbraw/zinc/79/86/48/1073798648.db2.gz WKZVOQVPTLIADD-ZDUSSCGKSA-N 0 0 432.502 -0.386 20 30 IBEDRN COCCn1c(=O)c(=Cc2cccc(OC)n2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000790423208 1073798747 /nfs/dbraw/zinc/79/87/47/1073798747.db2.gz WRWBLGKHYMENPQ-UHFFFAOYSA-N 0 0 430.486 -0.678 20 30 IBEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)n2)c(=O)n1CC(=O)N(C)C ZINC000790425526 1073798565 /nfs/dbraw/zinc/79/85/65/1073798565.db2.gz OMJLEKVDPJJVTK-UHFFFAOYSA-N 0 0 427.486 -0.793 20 30 IBEDRN C#CCn1c(=O)c(=Cc2cccc(OC)n2)sc1=C(C#N)C(=O)NCCCOCC ZINC000790427364 1073798756 /nfs/dbraw/zinc/79/87/56/1073798756.db2.gz AOXYPKIVGVHQLW-UHFFFAOYSA-N 0 0 426.498 -0.008 20 30 IBEDRN C#CCn1c(=O)c(=Cc2cccc(OC)n2)sc1=C(C#N)C(=O)N1CCN(CC)CC1 ZINC000790427388 1073798594 /nfs/dbraw/zinc/79/85/94/1073798594.db2.gz BPOHBCJRIAWBBJ-UHFFFAOYSA-N 0 0 437.525 -0.386 20 30 IBEDRN COc1cccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCS(C)(=O)=O)c2=O)n1 ZINC000790428402 1073799330 /nfs/dbraw/zinc/79/93/30/1073799330.db2.gz GNDPCCJCZDGABS-UHFFFAOYSA-N 0 0 448.526 -0.860 20 30 IBEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)n2)c(=O)n1CCS(C)(=O)=O ZINC000790429187 1073798862 /nfs/dbraw/zinc/79/88/62/1073798862.db2.gz ONWBZADEPURYCR-UHFFFAOYSA-N 0 0 448.526 -0.837 20 30 IBEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@@](C)(O)Cn3ccccc3=O)CC2)o1 ZINC000790674660 1073800904 /nfs/dbraw/zinc/80/09/04/1073800904.db2.gz AZNGGTMRLLUUGA-FQEVSTJZSA-N 0 0 429.433 -0.341 20 30 IBEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@](C)(O)Cn3ccccc3=O)CC2)o1 ZINC000790674670 1073800927 /nfs/dbraw/zinc/80/09/27/1073800927.db2.gz AZNGGTMRLLUUGA-HXUWFJFHSA-N 0 0 429.433 -0.341 20 30 IBEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@@](C)(O)Cn3ccc(C)cc3=O)CC2)o1 ZINC000790683580 1073802803 /nfs/dbraw/zinc/80/28/03/1073802803.db2.gz BBGHWVDIHXGTDL-NRFANRHFSA-N 0 0 443.460 -0.032 20 30 IBEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@](C)(O)Cn3ccc(C)cc3=O)CC2)o1 ZINC000790683581 1073802822 /nfs/dbraw/zinc/80/28/22/1073802822.db2.gz BBGHWVDIHXGTDL-OAQYLSRUSA-N 0 0 443.460 -0.032 20 30 IBEDRN N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)COC(=O)CN2CCOCC2=O)CC1 ZINC000790732203 1073803859 /nfs/dbraw/zinc/80/38/59/1073803859.db2.gz BLNZYZPMLRITOS-UHFFFAOYSA-N 0 0 443.416 -0.143 20 30 IBEDRN C#CCN1CCN(S(=O)(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)CC1 ZINC000790865873 1073805856 /nfs/dbraw/zinc/80/58/56/1073805856.db2.gz FJGGSKDIGMLLHB-UHFFFAOYSA-N 0 0 427.548 -0.045 20 30 IBEDRN N#Cc1ccc(N2CCN(C(=O)C3=NN([C@H]4CCS(=O)(=O)C4)C(=O)CC3)CC2)cn1 ZINC000791179391 1073807874 /nfs/dbraw/zinc/80/78/74/1073807874.db2.gz VGQBBUMCLCCMHE-INIZCTEOSA-N 0 0 430.490 -0.233 20 30 IBEDRN N#Cc1ccc(N2CCN(C(=O)C3=NN([C@@H]4CCS(=O)(=O)C4)C(=O)CC3)CC2)cn1 ZINC000791179394 1073807756 /nfs/dbraw/zinc/80/77/56/1073807756.db2.gz VGQBBUMCLCCMHE-MRXNPFEDSA-N 0 0 430.490 -0.233 20 30 IBEDRN C#CCNC(=O)CN1CCCN(C(=O)CNS(=O)(=O)c2c[nH]c3ncccc23)CC1 ZINC000791351914 1073809655 /nfs/dbraw/zinc/80/96/55/1073809655.db2.gz HCRYTQVLOYBHRM-UHFFFAOYSA-N 0 0 432.506 -0.875 20 30 IBEDRN C#CCNC(=O)CN1CCCN(C(=O)[C@H](CC(N)=O)NC(=O)c2ccccc2Cl)CC1 ZINC000791354366 1073809469 /nfs/dbraw/zinc/80/94/69/1073809469.db2.gz ZWGPEOBYPGXOOB-KRWDZBQOSA-N 0 0 447.923 -0.403 20 30 IBEDRN C#CCNC(=O)CN1CCCN(C(=O)[C@@H](CC(N)=O)NC(=O)c2ccccc2Cl)CC1 ZINC000791354369 1073809555 /nfs/dbraw/zinc/80/95/55/1073809555.db2.gz ZWGPEOBYPGXOOB-QGZVFWFLSA-N 0 0 447.923 -0.403 20 30 IBEDRN CN(CC(N)=O)C(=O)c1cccc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c1 ZINC000791402619 1073809428 /nfs/dbraw/zinc/80/94/28/1073809428.db2.gz IMCAELIYRIERRU-UHFFFAOYSA-N 0 0 429.458 -0.079 20 30 IBEDRN O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCc1ccc(S(=O)(=O)CCO)cc1 ZINC000791960300 1073813099 /nfs/dbraw/zinc/81/30/99/1073813099.db2.gz JQKPBIJZWUVABN-UHFFFAOYSA-N 0 0 437.499 -0.193 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)[C@](C)(O)Cn2cc(C(F)(F)F)ccc2=O)CC1 ZINC000792139190 1073814461 /nfs/dbraw/zinc/81/44/61/1073814461.db2.gz WNOAUBUQRXLIIT-GOSISDBHSA-N 0 0 428.411 -0.488 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)[C@@](C)(O)Cn2cc(C(F)(F)F)ccc2=O)CC1 ZINC000792139192 1073814674 /nfs/dbraw/zinc/81/46/74/1073814674.db2.gz WNOAUBUQRXLIIT-SFHVURJKSA-N 0 0 428.411 -0.488 20 30 IBEDRN C#CCNC(=O)CN1CCCN(C(=O)[C@@](C)(O)Cn2cc(C(F)(F)F)ccc2=O)CC1 ZINC000792142752 1073814496 /nfs/dbraw/zinc/81/44/96/1073814496.db2.gz DAAYVBYAXAYMGD-IBGZPJMESA-N 0 0 442.438 -0.098 20 30 IBEDRN C#CCNC(=O)CN1CCCN(C(=O)[C@](C)(O)Cn2cc(C(F)(F)F)ccc2=O)CC1 ZINC000792142754 1073814687 /nfs/dbraw/zinc/81/46/87/1073814687.db2.gz DAAYVBYAXAYMGD-LJQANCHMSA-N 0 0 442.438 -0.098 20 30 IBEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CN2CC[S@@](=O)C[C@H]2c2cnn(CC)c2)c1=O ZINC000792714546 1073820008 /nfs/dbraw/zinc/82/00/08/1073820008.db2.gz NLRDCTJFKZGCQM-BEIWTESXSA-N 0 0 434.522 -0.477 20 30 IBEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CN2CC[S@](=O)C[C@H]2c2cnn(CC)c2)c1=O ZINC000792714548 1073819882 /nfs/dbraw/zinc/81/98/82/1073819882.db2.gz NLRDCTJFKZGCQM-DFYVNMARSA-N 0 0 434.522 -0.477 20 30 IBEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CN2CC[S@](=O)C[C@@H]2c2cnn(CC)c2)c1=O ZINC000792714549 1073819866 /nfs/dbraw/zinc/81/98/66/1073819866.db2.gz NLRDCTJFKZGCQM-JTBPQFFMSA-N 0 0 434.522 -0.477 20 30 IBEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CN2CC[S@@](=O)C[C@@H]2c2cnn(CC)c2)c1=O ZINC000792714551 1073819778 /nfs/dbraw/zinc/81/97/78/1073819778.db2.gz NLRDCTJFKZGCQM-XHDOVSQSSA-N 0 0 434.522 -0.477 20 30 IBEDRN C#Cc1cccc(NC(=O)CNC(=O)C(=O)Nc2cccc(C(=O)N(C)CC(N)=O)c2)c1 ZINC000793039688 1073823065 /nfs/dbraw/zinc/82/30/65/1073823065.db2.gz AQTGXJQCRXSPLO-UHFFFAOYSA-N 0 0 435.440 -0.081 20 30 IBEDRN CN1CCN(S(=O)(=O)N2CCN(Cn3cc4c(c(C#N)c3=O)CCCC4)CC2)CC1 ZINC000793484339 1073825042 /nfs/dbraw/zinc/82/50/42/1073825042.db2.gz ROEPALFZXQLDFU-UHFFFAOYSA-N 0 0 434.566 -0.334 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2cccnc2-n2ccnc2C)CC1 ZINC000793802871 1073834183 /nfs/dbraw/zinc/83/41/83/1073834183.db2.gz PYTMLBJKTIWFBP-UHFFFAOYSA-N 0 0 425.493 -0.362 20 30 IBEDRN CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)C(=O)NC2CCN(CC#N)CC2)CC1 ZINC000793826414 1073836930 /nfs/dbraw/zinc/83/69/30/1073836930.db2.gz LHAOIWIFBYYDLW-UHFFFAOYSA-N 0 0 436.513 -0.714 20 30 IBEDRN C#CCn1ccc(CN(CCOC)C(=O)C(=O)NC[C@@]2(N3CCOCC3)CCSC2)n1 ZINC000793873169 1073841302 /nfs/dbraw/zinc/84/13/02/1073841302.db2.gz XANKGWCVNNWZEG-NRFANRHFSA-N 0 0 449.577 -0.185 20 30 IBEDRN C#CCn1ccc(CN(CCOC)C(=O)C(=O)NC[C@]2(N3CCOCC3)CCSC2)n1 ZINC000793873171 1073841240 /nfs/dbraw/zinc/84/12/40/1073841240.db2.gz XANKGWCVNNWZEG-OAQYLSRUSA-N 0 0 449.577 -0.185 20 30 IBEDRN CCOC(=O)CON=C(C(=O)N1CCCN(S(=O)(=O)N(C)C)CC1)c1ccn[nH]1 ZINC000794085736 1073843217 /nfs/dbraw/zinc/84/32/17/1073843217.db2.gz IBZUGIRGYBKZOC-UHFFFAOYSA-N 0 0 430.487 -0.966 20 30 IBEDRN C#CCNC(=O)CN(CC(=O)NCC#C)S(=O)(=O)c1ccc(Br)cc1 ZINC000794242577 1073843632 /nfs/dbraw/zinc/84/36/32/1073843632.db2.gz BONDZORTLSBBNE-UHFFFAOYSA-N 0 0 426.292 -0.061 20 30 IBEDRN C#CCNC(=O)CN(CC(=O)NCC#C)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000794244635 1073843778 /nfs/dbraw/zinc/84/37/78/1073843778.db2.gz NMUZXGHERXXKGV-UHFFFAOYSA-N 0 0 426.838 -0.262 20 30 IBEDRN CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCC(=O)N1CCNC(=O)C1 ZINC000794325136 1073844469 /nfs/dbraw/zinc/84/44/69/1073844469.db2.gz DCXNOHZFVMCXAO-AWEZNQCLSA-N 0 0 436.490 -0.359 20 30 IBEDRN CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCC(=O)N1CCNC(=O)C1 ZINC000794325137 1073844377 /nfs/dbraw/zinc/84/43/77/1073844377.db2.gz DCXNOHZFVMCXAO-CQSZACIVSA-N 0 0 436.490 -0.359 20 30 IBEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C(C)C)c(=O)n1CCOC ZINC000794581442 1074452526 /nfs/dbraw/zinc/45/25/26/1074452526.db2.gz LQPTZAYRGPAIKC-UHFFFAOYSA-N 0 0 433.534 -0.011 20 30 IBEDRN COCCn1cc(C=c2sc(=C(C#N)C(=O)[C@H]3CCCOC3)n(CCOC)c2=O)cn1 ZINC000794582502 1074452509 /nfs/dbraw/zinc/45/25/09/1074452509.db2.gz WIUOKSKXDUZFAP-INIZCTEOSA-N 0 0 446.529 -0.102 20 30 IBEDRN COCCn1cc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCCOC3)n(CCOC)c2=O)cn1 ZINC000794582508 1074452604 /nfs/dbraw/zinc/45/26/04/1074452604.db2.gz WIUOKSKXDUZFAP-MRXNPFEDSA-N 0 0 446.529 -0.102 20 30 IBEDRN COCCn1c(=O)c(=Cc2ccnn2C(C)C)sc1=C(C#N)C(=O)N[C@@H](C)COC ZINC000794582562 1074452464 /nfs/dbraw/zinc/45/24/64/1074452464.db2.gz PJMUKGWMMBFSDL-AWEZNQCLSA-N 0 0 433.534 -0.012 20 30 IBEDRN COCCn1c(=O)c(=Cc2ccnn2C(C)C)sc1=C(C#N)C(=O)N[C@H](C)COC ZINC000794582563 1074452547 /nfs/dbraw/zinc/45/25/47/1074452547.db2.gz PJMUKGWMMBFSDL-CQSZACIVSA-N 0 0 433.534 -0.012 20 30 IBEDRN COCCn1c(=O)c(=Cc2ccnn2C(C)C)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000794582918 1074452442 /nfs/dbraw/zinc/45/24/42/1074452442.db2.gz VHVLKDBUQIYZSF-UHFFFAOYSA-N 0 0 431.518 -0.305 20 30 IBEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C(C)C)c(=O)n1CC(=O)N(C)C ZINC000794608509 1074453745 /nfs/dbraw/zinc/45/37/45/1074453745.db2.gz JFRVUUQZEDWHRZ-UHFFFAOYSA-N 0 0 428.518 -0.419 20 30 IBEDRN CCn1cc(C=c2sc(=C(C#N)C(=O)[C@H]3CCCOC3)n(CC(=O)N(C)C)c2=O)cn1 ZINC000794609101 1074453068 /nfs/dbraw/zinc/45/30/68/1074453068.db2.gz OHKDYJOIBAWJEK-HNNXBMFYSA-N 0 0 443.529 -0.287 20 30 IBEDRN CCn1cc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCCOC3)n(CC(=O)N(C)C)c2=O)cn1 ZINC000794609108 1074453004 /nfs/dbraw/zinc/45/30/04/1074453004.db2.gz OHKDYJOIBAWJEK-OAHLLOKOSA-N 0 0 443.529 -0.287 20 30 IBEDRN C=Cn1cc(C=c2sc(=C(C#N)C(=O)[C@H]3CCCOC3)n(CC(=O)N(C)C)c2=O)cn1 ZINC000794609564 1074453742 /nfs/dbraw/zinc/45/37/42/1074453742.db2.gz DMPMKMVCAAPMFL-HNNXBMFYSA-N 0 0 441.513 -0.206 20 30 IBEDRN C=Cn1cc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCCOC3)n(CC(=O)N(C)C)c2=O)cn1 ZINC000794609578 1074453620 /nfs/dbraw/zinc/45/36/20/1074453620.db2.gz DMPMKMVCAAPMFL-OAHLLOKOSA-N 0 0 441.513 -0.206 20 30 IBEDRN CN(C)C(=O)Cn1c(=O)c(=Cc2ccn(C)c2)sc1=C(C#N)C(=O)[C@H]1CCCOC1 ZINC000794609772 1074453725 /nfs/dbraw/zinc/45/37/25/1074453725.db2.gz FRRIBPBNGVMAFS-HNNXBMFYSA-N 0 0 428.514 -0.165 20 30 IBEDRN CN(C)C(=O)Cn1c(=O)c(=Cc2ccn(C)c2)sc1=C(C#N)C(=O)[C@@H]1CCCOC1 ZINC000794609780 1074453713 /nfs/dbraw/zinc/45/37/13/1074453713.db2.gz FRRIBPBNGVMAFS-OAHLLOKOSA-N 0 0 428.514 -0.165 20 30 IBEDRN C[C@H]1CN(S(=O)(=O)N2CCN(Cn3nc(CC#N)n(C)c3=S)CC2)C[C@H](C)O1 ZINC000794619323 1074453572 /nfs/dbraw/zinc/45/35/72/1074453572.db2.gz IBZFXAWIMBHFGD-KBPBESRZSA-N 0 0 429.572 -0.054 20 30 IBEDRN C[C@@H]1CN(S(=O)(=O)N2CCN(Cn3nc(CC#N)n(C)c3=S)CC2)C[C@H](C)O1 ZINC000794619324 1074453685 /nfs/dbraw/zinc/45/36/85/1074453685.db2.gz IBZFXAWIMBHFGD-OKILXGFUSA-N 0 0 429.572 -0.054 20 30 IBEDRN C[C@@H]1CN(S(=O)(=O)N2CCN(Cn3nc(CC#N)n(C)c3=S)CC2)C[C@@H](C)O1 ZINC000794619325 1074453751 /nfs/dbraw/zinc/45/37/51/1074453751.db2.gz IBZFXAWIMBHFGD-ZIAGYGMSSA-N 0 0 429.572 -0.054 20 30 IBEDRN N#CC(C(=O)[C@@H]1CCCOC1)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CC(N)=O ZINC000794622356 1074453679 /nfs/dbraw/zinc/45/36/79/1074453679.db2.gz AGYBOBWPGXEPNL-CYBMUJFWSA-N 0 0 437.481 -0.458 20 30 IBEDRN N#CC(C(=O)[C@H]1CCCOC1)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CC(N)=O ZINC000794622364 1074453644 /nfs/dbraw/zinc/45/36/44/1074453644.db2.gz AGYBOBWPGXEPNL-ZDUSSCGKSA-N 0 0 437.481 -0.458 20 30 IBEDRN CCC(C)(C)C(=O)C(C#N)=c1sc(=Cc2cnn(CCOC)c2)c(=O)n1CC(N)=O ZINC000794622589 1074453606 /nfs/dbraw/zinc/45/36/06/1074453606.db2.gz CMIDMUJOLUAWBB-UHFFFAOYSA-N 0 0 431.518 -0.254 20 30 IBEDRN CC(C)n1cc(C=c2sc(=C(C#N)C(=O)[C@H]3CCCOC3)n(CC(N)=O)c2=O)cn1 ZINC000794624410 1074453690 /nfs/dbraw/zinc/45/36/90/1074453690.db2.gz VVVVWTVWNHKKOB-AWEZNQCLSA-N 0 0 429.502 -0.329 20 30 IBEDRN CC(C)n1cc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCCOC3)n(CC(N)=O)c2=O)cn1 ZINC000794624411 1074454159 /nfs/dbraw/zinc/45/41/59/1074454159.db2.gz VVVVWTVWNHKKOB-CQSZACIVSA-N 0 0 429.502 -0.329 20 30 IBEDRN CCCn1cc(C=c2sc(=C(C#N)C(=O)[C@H]3CCCOC3)n(CC(N)=O)c2=O)cn1 ZINC000794624635 1074454087 /nfs/dbraw/zinc/45/40/87/1074454087.db2.gz YFOFKXSGTDZEPF-AWEZNQCLSA-N 0 0 429.502 -0.500 20 30 IBEDRN CCCn1cc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCCOC3)n(CC(N)=O)c2=O)cn1 ZINC000794624637 1074454230 /nfs/dbraw/zinc/45/42/30/1074454230.db2.gz YFOFKXSGTDZEPF-CQSZACIVSA-N 0 0 429.502 -0.500 20 30 IBEDRN CC(C)(C)n1cc(C=c2sc(=C(C#N)C(=O)[C@H]3CCCOC3)n(CC(N)=O)c2=O)cn1 ZINC000794624741 1074454225 /nfs/dbraw/zinc/45/42/25/1074454225.db2.gz ZJYOABFKYHDRCI-AWEZNQCLSA-N 0 0 443.529 -0.155 20 30 IBEDRN CC(C)(C)n1cc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCCOC3)n(CC(N)=O)c2=O)cn1 ZINC000794624746 1074454211 /nfs/dbraw/zinc/45/42/11/1074454211.db2.gz ZJYOABFKYHDRCI-CQSZACIVSA-N 0 0 443.529 -0.155 20 30 IBEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C(C)C)c(=O)n1CCS(C)(=O)=O ZINC000794629232 1074454190 /nfs/dbraw/zinc/45/41/90/1074454190.db2.gz UFCVCQAYWMTPNL-UHFFFAOYSA-N 0 0 449.558 -0.463 20 30 IBEDRN CC(C)n1nccc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(CCS(C)(=O)=O)c1=O ZINC000794629958 1074454118 /nfs/dbraw/zinc/45/41/18/1074454118.db2.gz CAWUHGFDJRXQDR-UHFFFAOYSA-N 0 0 449.558 -0.487 20 30 IBEDRN Cn1ccc(C=c2sc(=C(C#N)C(=O)[C@H]3CCCOC3)n(CCS(C)(=O)=O)c2=O)c1 ZINC000794629960 1074454179 /nfs/dbraw/zinc/45/41/79/1074454179.db2.gz CBLGWRGXVYPVQM-HNNXBMFYSA-N 0 0 449.554 -0.208 20 30 IBEDRN Cn1ccc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCCOC3)n(CCS(C)(=O)=O)c2=O)c1 ZINC000794629961 1074454204 /nfs/dbraw/zinc/45/42/04/1074454204.db2.gz CBLGWRGXVYPVQM-OAHLLOKOSA-N 0 0 449.554 -0.208 20 30 IBEDRN C#CCn1c(=O)c(=Cc2cnn(CCOC)c2)sc1=C(C#N)C(=O)[C@H]1CCCOC1 ZINC000794645014 1074453059 /nfs/dbraw/zinc/45/30/59/1074453059.db2.gz LONXSPUSCUATKW-INIZCTEOSA-N 0 0 426.498 -0.115 20 30 IBEDRN C#CCn1c(=O)c(=Cc2cnn(CCOC)c2)sc1=C(C#N)C(=O)[C@@H]1CCCOC1 ZINC000794645017 1074453087 /nfs/dbraw/zinc/45/30/87/1074453087.db2.gz LONXSPUSCUATKW-MRXNPFEDSA-N 0 0 426.498 -0.115 20 30 IBEDRN C#CCn1c(=O)c(=Cc2ccnn2C(C)C)sc1=C(C#N)C(=O)N1CCN(CC)CC1 ZINC000794646002 1074453075 /nfs/dbraw/zinc/45/30/75/1074453075.db2.gz STXDLFZPLCBUQG-UHFFFAOYSA-N 0 0 438.557 -0.012 20 30 IBEDRN COC(=O)[C@H]1[C@@H]2CN(CC(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)C[C@@H]21 ZINC000794968882 1074458377 /nfs/dbraw/zinc/45/83/77/1074458377.db2.gz TUJCXURAHOTUNZ-MNZLEMJZSA-N 0 0 432.502 -0.258 20 30 IBEDRN N#CCCNC(=O)CNc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 ZINC000795039028 1074460326 /nfs/dbraw/zinc/46/03/26/1074460326.db2.gz GCBRKMXDDPIJQE-UHFFFAOYSA-N 0 0 437.522 -0.014 20 30 IBEDRN N#CCc1cccc(S(=O)(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)c1 ZINC000795071991 1074460945 /nfs/dbraw/zinc/46/09/45/1074460945.db2.gz BTYWASONPMEMSK-INIZCTEOSA-N 0 0 447.560 -0.424 20 30 IBEDRN N#CCc1cccc(S(=O)(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)c1 ZINC000795072003 1074460963 /nfs/dbraw/zinc/46/09/63/1074460963.db2.gz BTYWASONPMEMSK-MRXNPFEDSA-N 0 0 447.560 -0.424 20 30 IBEDRN CNS(=O)(=O)c1ccc(S(=O)(=O)NCCNC(=O)C2N=CC=CC2=O)cc1C ZINC000795103356 1074462077 /nfs/dbraw/zinc/46/20/77/1074462077.db2.gz VCVSDIZYOVLYJI-FOCLMDBBSA-N 0 0 428.492 -0.292 20 30 IBEDRN CNS(=O)(=O)c1ccc(S(=O)(=O)NCCNC(=O)C2N=CC=CC2=O)cc1C ZINC000795103361 1074462062 /nfs/dbraw/zinc/46/20/62/1074462062.db2.gz VCVSDIZYOVLYJI-NXVVXOECSA-N 0 0 428.492 -0.292 20 30 IBEDRN C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc(S(=O)(=O)NC)c(C)c2)CC1 ZINC000795111165 1074462042 /nfs/dbraw/zinc/46/20/42/1074462042.db2.gz LQBNKUQHVCZIOG-UHFFFAOYSA-N 0 0 442.563 -0.651 20 30 IBEDRN COCCn1c(=O)c(=Cc2c(C)cnn2C)sc1=C(C#N)C(=O)N1CCSCC1 ZINC000795187306 1074465378 /nfs/dbraw/zinc/46/53/78/1074465378.db2.gz PAMDLQOVEWLADO-UHFFFAOYSA-N 0 0 433.559 -0.323 20 30 IBEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1CCOC ZINC000795188801 1074465433 /nfs/dbraw/zinc/46/54/33/1074465433.db2.gz YPSFKJFSUHXRQQ-UHFFFAOYSA-N 0 0 433.534 -0.356 20 30 IBEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3c(C)cnn3C)c(=O)n2CCOC)CC1 ZINC000795189194 1074465361 /nfs/dbraw/zinc/46/53/61/1074465361.db2.gz ZYRSHCRPMMCJID-UHFFFAOYSA-N 0 0 444.561 -0.735 20 30 IBEDRN C#CCn1ccc(CN(CCOC)S(=O)(=O)CC2CCN(S(C)(=O)=O)CC2)n1 ZINC000795190233 1074465399 /nfs/dbraw/zinc/46/53/99/1074465399.db2.gz WLRVSDBFQUVQOV-UHFFFAOYSA-N 0 0 432.568 -0.034 20 30 IBEDRN Cc1cnn(C)c1C=c1sc(=C(C#N)C#N)n(Cc2ccc(S(N)(=O)=O)cc2)c1=O ZINC000795195625 1074465458 /nfs/dbraw/zinc/46/54/58/1074465458.db2.gz PIMHAXDRGYIDSF-UHFFFAOYSA-N 0 0 440.510 -0.326 20 30 IBEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1CCS(C)(=O)=O ZINC000795197628 1074465813 /nfs/dbraw/zinc/46/58/13/1074465813.db2.gz OJFJOPWJYOEDSP-UHFFFAOYSA-N 0 0 437.547 -0.974 20 30 IBEDRN Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(CCS(C)(=O)=O)c1=O ZINC000795197954 1074465621 /nfs/dbraw/zinc/46/56/21/1074465621.db2.gz QVUGVJLFXFJEIB-UHFFFAOYSA-N 0 0 449.558 -0.878 20 30 IBEDRN Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)C2CCC2)n(CCS(C)(=O)=O)c1=O ZINC000795198418 1074465692 /nfs/dbraw/zinc/46/56/92/1074465692.db2.gz WMYNYCHFEBIHGL-UHFFFAOYSA-N 0 0 434.543 -0.131 20 30 IBEDRN Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)NC(C)C)n(CCS(C)(=O)=O)c1=O ZINC000795198574 1074465837 /nfs/dbraw/zinc/46/58/37/1074465837.db2.gz YXQKSVKBTGZUKW-UHFFFAOYSA-N 0 0 437.547 -0.976 20 30 IBEDRN CCOC(=O)c1cnn(C)c1NC(=O)COC(=O)CNS(=O)(=O)c1cccc(C#N)c1 ZINC000795322832 1072596709 /nfs/dbraw/zinc/59/67/09/1072596709.db2.gz AHNJOPLHVGXDSD-UHFFFAOYSA-N 0 0 449.445 -0.071 20 30 IBEDRN CNC(=O)[C@@H](NC(=O)COC(=O)CNS(=O)(=O)c1cccc(C#N)c1)c1ccccc1 ZINC000795324033 1072596902 /nfs/dbraw/zinc/59/69/02/1072596902.db2.gz LRDLFQIGHBAXAN-IBGZPJMESA-N 0 0 444.469 -0.017 20 30 IBEDRN CNC(=O)[C@H](NC(=O)COC(=O)CNS(=O)(=O)c1cccc(C#N)c1)c1ccccc1 ZINC000795324034 1072596926 /nfs/dbraw/zinc/59/69/26/1072596926.db2.gz LRDLFQIGHBAXAN-LJQANCHMSA-N 0 0 444.469 -0.017 20 30 IBEDRN C[C@H](NC(=O)COC(=O)CNS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCCCC1 ZINC000795325477 1072596863 /nfs/dbraw/zinc/59/68/63/1072596863.db2.gz YWNCSBOZGINMIN-AWEZNQCLSA-N 0 0 436.490 -0.103 20 30 IBEDRN C[C@@H](NC(=O)COC(=O)CNS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCCCC1 ZINC000795325479 1072596807 /nfs/dbraw/zinc/59/68/07/1072596807.db2.gz YWNCSBOZGINMIN-CQSZACIVSA-N 0 0 436.490 -0.103 20 30 IBEDRN Cn1cc(S(=O)(=O)NCCOC(=O)CNS(=O)(=O)c2cccc(C#N)c2)cn1 ZINC000795326562 1072596768 /nfs/dbraw/zinc/59/67/68/1072596768.db2.gz AOMFUTCBVVQPLT-UHFFFAOYSA-N 0 0 427.464 -0.908 20 30 IBEDRN N#Cc1cccc(S(=O)(=O)NCC(=O)OCC(=O)N2CCN(c3cnccn3)CC2)c1 ZINC000795327042 1072596795 /nfs/dbraw/zinc/59/67/95/1072596795.db2.gz HTMFIMNTPNZLBM-UHFFFAOYSA-N 0 0 444.473 -0.481 20 30 IBEDRN N#Cc1cccc(S(=O)(=O)NCC(=O)OCC(=O)N2CCN(C(=O)C3CC3)CC2)c1 ZINC000795332738 1072596848 /nfs/dbraw/zinc/59/68/48/1072596848.db2.gz FWWLXJUFFOSYCN-UHFFFAOYSA-N 0 0 434.474 -0.539 20 30 IBEDRN C=CCn1c([C@@H]2COc3ccccc3O2)nnc1S(=O)(=O)[C@@H]1CS(=O)(=O)C[C@H]1O ZINC000795469062 1072598435 /nfs/dbraw/zinc/59/84/35/1072598435.db2.gz MBKORSCEQNGTBS-BYCMXARLSA-N 0 0 441.487 -0.092 20 30 IBEDRN C=CCn1c([C@@H]2COc3ccccc3O2)nnc1S(=O)(=O)[C@H]1CS(=O)(=O)C[C@@H]1O ZINC000795469063 1072598488 /nfs/dbraw/zinc/59/84/88/1072598488.db2.gz MBKORSCEQNGTBS-CQDKDKBSSA-N 0 0 441.487 -0.092 20 30 IBEDRN C=CCn1c([C@@H]2COc3ccccc3O2)nnc1S(=O)(=O)[C@@H]1CS(=O)(=O)C[C@@H]1O ZINC000795469064 1072598397 /nfs/dbraw/zinc/59/83/97/1072598397.db2.gz MBKORSCEQNGTBS-TUKIKUTGSA-N 0 0 441.487 -0.092 20 30 IBEDRN C=CCn1c([C@@H]2COc3ccccc3O2)nnc1S(=O)(=O)[C@H]1CS(=O)(=O)C[C@H]1O ZINC000795469065 1072598443 /nfs/dbraw/zinc/59/84/43/1072598443.db2.gz MBKORSCEQNGTBS-UGFHNGPFSA-N 0 0 441.487 -0.092 20 30 IBEDRN CNC(=O)NCCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000795629175 1072598790 /nfs/dbraw/zinc/59/87/90/1072598790.db2.gz BSLBVCOAGLKEEX-UHFFFAOYSA-N 0 0 437.478 -0.747 20 30 IBEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC[C@@H](CN(C)S(C)(=O)=O)C2)c1=O ZINC000795650878 1072607923 /nfs/dbraw/zinc/60/79/23/1072607923.db2.gz GJWZUHMQWGEYPD-HNNXBMFYSA-N 0 0 427.527 -0.895 20 30 IBEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC[C@H](CN(C)S(C)(=O)=O)C2)c1=O ZINC000795650882 1072607945 /nfs/dbraw/zinc/60/79/45/1072607945.db2.gz GJWZUHMQWGEYPD-OAHLLOKOSA-N 0 0 427.527 -0.895 20 30 IBEDRN C#CCNC(=O)COC(=O)c1cc(Br)c(C(=O)OCC(=O)NCC#C)o1 ZINC000795717183 1072626929 /nfs/dbraw/zinc/62/69/29/1072626929.db2.gz HTMOVLPXDWJXMZ-UHFFFAOYSA-N 0 0 425.191 -0.146 20 30 IBEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@@](C)(O)Cn3c(C)cccc3=O)CC2)o1 ZINC000795767658 1072628176 /nfs/dbraw/zinc/62/81/76/1072628176.db2.gz FHKHMCLLJBAWQW-NRFANRHFSA-N 0 0 443.460 -0.032 20 30 IBEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@](C)(O)Cn3c(C)cccc3=O)CC2)o1 ZINC000795767676 1072628110 /nfs/dbraw/zinc/62/81/10/1072628110.db2.gz FHKHMCLLJBAWQW-OAQYLSRUSA-N 0 0 443.460 -0.032 20 30 IBEDRN C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc(Cl)cc(C(=O)NC)c2OC)CC1 ZINC000795824654 1072629746 /nfs/dbraw/zinc/62/97/46/1072629746.db2.gz SJDATOABNIBUGX-UHFFFAOYSA-N 0 0 442.925 -0.236 20 30 IBEDRN C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cccc(C(=O)NCCOC)c2)CC1 ZINC000795841095 1072629795 /nfs/dbraw/zinc/62/97/95/1072629795.db2.gz AZMKRAXNZMUQMI-UHFFFAOYSA-N 0 0 436.534 -0.491 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(CCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000795976437 1072631468 /nfs/dbraw/zinc/63/14/68/1072631468.db2.gz OPXUSYZIDXOWAO-UHFFFAOYSA-N 0 0 443.570 -0.459 20 30 IBEDRN CCOC(=O)C1(S(C)(=O)=O)CCN(S(=O)(=O)N(CCC#N)CCOC)CC1 ZINC000796183638 1072634702 /nfs/dbraw/zinc/63/47/02/1072634702.db2.gz FENOXNYCUWMPTF-UHFFFAOYSA-N 0 0 425.529 -0.464 20 30 IBEDRN COC(=O)c1cc(S(=O)(=O)NCC(=O)NCC#N)ccc1I ZINC000796217043 1072635426 /nfs/dbraw/zinc/63/54/26/1072635426.db2.gz KAFGNTGXOHUMLM-UHFFFAOYSA-N 0 0 437.215 -0.004 20 30 IBEDRN COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCCN1S(=O)(=O)N1CCO[C@@H](C#N)C1 ZINC000796243164 1072635745 /nfs/dbraw/zinc/63/57/45/1072635745.db2.gz SOLBWZLLYFEMNR-KBPBESRZSA-N 0 0 432.499 -0.060 20 30 IBEDRN COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCCN1S(=O)(=O)N1CCO[C@H](C#N)C1 ZINC000796243165 1072635962 /nfs/dbraw/zinc/63/59/62/1072635962.db2.gz SOLBWZLLYFEMNR-KGLIPLIRSA-N 0 0 432.499 -0.060 20 30 IBEDRN COC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCCN1S(=O)(=O)N1CCO[C@@H](C#N)C1 ZINC000796243166 1072635875 /nfs/dbraw/zinc/63/58/75/1072635875.db2.gz SOLBWZLLYFEMNR-UONOGXRCSA-N 0 0 432.499 -0.060 20 30 IBEDRN COC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCCN1S(=O)(=O)N1CCO[C@H](C#N)C1 ZINC000796243167 1072635775 /nfs/dbraw/zinc/63/57/75/1072635775.db2.gz SOLBWZLLYFEMNR-ZIAGYGMSSA-N 0 0 432.499 -0.060 20 30 IBEDRN Cc1nc(C#N)c(N2CCC(C(=O)OCC(=O)c3c(N)n(C)c(=O)n(C)c3=O)CC2)o1 ZINC000796278797 1072639117 /nfs/dbraw/zinc/63/91/17/1072639117.db2.gz FKPIBIKMYNDRSA-UHFFFAOYSA-N 0 0 430.421 -0.523 20 30 IBEDRN Cc1nc(C#N)c(N2CCC(C(=O)OCC(=O)N3CCN(CC(=O)N(C)C)CC3)CC2)o1 ZINC000796279943 1072639191 /nfs/dbraw/zinc/63/91/91/1072639191.db2.gz UXLGCNGWGZGELO-UHFFFAOYSA-N 0 0 446.508 -0.153 20 30 IBEDRN C=CCOC[C@@H](NC(=O)Cn1cnc2c(c(Br)nn2C)c1=O)C(=O)OC ZINC000796460942 1072652118 /nfs/dbraw/zinc/65/21/18/1072652118.db2.gz ZZTGCNXXIQJMBZ-SECBINFHSA-N 0 0 428.243 -0.247 20 30 IBEDRN C=CCOC[C@H](NC(=O)Cn1cnc2c(c(Br)nn2C)c1=O)C(=O)OC ZINC000796460943 1072652066 /nfs/dbraw/zinc/65/20/66/1072652066.db2.gz ZZTGCNXXIQJMBZ-VIFPVBQESA-N 0 0 428.243 -0.247 20 30 IBEDRN C=CCNC(=O)CN1CCN(c2ccnc(N3CCN(CC(=O)NCC=C)CC3)n2)CC1 ZINC000796497700 1072652274 /nfs/dbraw/zinc/65/22/74/1072652274.db2.gz CXHGDCXCSCLJDW-UHFFFAOYSA-N 0 0 442.568 -0.675 20 30 IBEDRN N#C[C@H](C(=O)CN1c2ccccc2OC(F)(F)C1=O)C(=O)N1CCS(=O)(=O)CC1 ZINC000796877788 1073001728 /nfs/dbraw/zinc/00/17/28/1073001728.db2.gz JHVFHSCVQNEBGL-LLVKDONJSA-N 0 0 427.385 -0.029 20 30 IBEDRN N#C[C@@H](C(=O)CN1c2ccccc2OC(F)(F)C1=O)C(=O)N1CCS(=O)(=O)CC1 ZINC000796877789 1073001794 /nfs/dbraw/zinc/00/17/94/1073001794.db2.gz JHVFHSCVQNEBGL-NSHDSACASA-N 0 0 427.385 -0.029 20 30 IBEDRN CC(C)(C)OC(=O)N1CCOC[C@@H]1CC(=O)[C@H](C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000797025033 1073002658 /nfs/dbraw/zinc/00/26/58/1073002658.db2.gz ZWSKRPOCXLAMIA-KBPBESRZSA-N 0 0 429.495 -0.022 20 30 IBEDRN CC(C)(C)OC(=O)N1CCOC[C@H]1CC(=O)[C@H](C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000797025034 1073002794 /nfs/dbraw/zinc/00/27/94/1073002794.db2.gz ZWSKRPOCXLAMIA-KGLIPLIRSA-N 0 0 429.495 -0.022 20 30 IBEDRN CC(C)(C)OC(=O)N1CCOC[C@@H]1CC(=O)[C@@H](C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000797025035 1073002780 /nfs/dbraw/zinc/00/27/80/1073002780.db2.gz ZWSKRPOCXLAMIA-UONOGXRCSA-N 0 0 429.495 -0.022 20 30 IBEDRN CC(C)(C)OC(=O)N1CCOC[C@H]1CC(=O)[C@@H](C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000797025036 1073002732 /nfs/dbraw/zinc/00/27/32/1073002732.db2.gz ZWSKRPOCXLAMIA-ZIAGYGMSSA-N 0 0 429.495 -0.022 20 30 IBEDRN CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCC(=O)NCC(F)F)c1 ZINC000797392502 1073006719 /nfs/dbraw/zinc/00/67/19/1073006719.db2.gz DTNSFDBRBUOPIN-OEAKJJBVSA-N 0 0 445.448 -0.065 20 30 IBEDRN CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCC(=O)NCC(F)F)c1 ZINC000797392503 1073006746 /nfs/dbraw/zinc/00/67/46/1073006746.db2.gz DTNSFDBRBUOPIN-UCQKPKSFSA-N 0 0 445.448 -0.065 20 30 IBEDRN CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NCC(=O)NCC(F)F)cc1 ZINC000797393852 1073006610 /nfs/dbraw/zinc/00/66/10/1073006610.db2.gz YLVPWPZQSHHRQK-OEAKJJBVSA-N 0 0 445.448 -0.065 20 30 IBEDRN CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NCC(=O)NCC(F)F)cc1 ZINC000797393854 1073006696 /nfs/dbraw/zinc/00/66/96/1073006696.db2.gz YLVPWPZQSHHRQK-UCQKPKSFSA-N 0 0 445.448 -0.065 20 30 IBEDRN CNC(=O)C(C#N)=c1sc(=Cc2ccnn2-c2ccccc2OC)c(=O)n1CCOC ZINC000797410411 1073007080 /nfs/dbraw/zinc/00/70/80/1073007080.db2.gz FBWQXHVJEUNRGO-UHFFFAOYSA-N 0 0 439.497 0.000 20 30 IBEDRN C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cc3c(cc2OC)NC(=O)CO3)CC1 ZINC000797447642 1073007176 /nfs/dbraw/zinc/00/71/76/1073007176.db2.gz BGOORXYKNROLJP-UHFFFAOYSA-N 0 0 436.490 -0.528 20 30 IBEDRN C=CCNC(=O)NC(=O)COC(=O)[C@](C)(NC(C)=O)c1ccc(S(C)(=O)=O)cc1 ZINC000797515857 1073007012 /nfs/dbraw/zinc/00/70/12/1073007012.db2.gz XGUCVABZRADVEX-GOSISDBHSA-N 0 0 425.463 -0.004 20 30 IBEDRN C=CCNC(=O)NC(=O)COC(=O)[C@@](C)(NC(C)=O)c1ccc(S(C)(=O)=O)cc1 ZINC000797515858 1073006961 /nfs/dbraw/zinc/00/69/61/1073006961.db2.gz XGUCVABZRADVEX-SFHVURJKSA-N 0 0 425.463 -0.004 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)[C@@](C)(NC(C)=O)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000797620991 1073007892 /nfs/dbraw/zinc/00/78/92/1073007892.db2.gz SMECAEGGCHVUQU-NRFANRHFSA-N 0 0 448.545 -0.665 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)[C@](C)(NC(C)=O)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000797620992 1073007904 /nfs/dbraw/zinc/00/79/04/1073007904.db2.gz SMECAEGGCHVUQU-OAQYLSRUSA-N 0 0 448.545 -0.665 20 30 IBEDRN N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)s1 ZINC000797820716 1073008468 /nfs/dbraw/zinc/00/84/68/1073008468.db2.gz KTUFDZZVNHQBLE-GFCCVEGCSA-N 0 0 439.562 -0.557 20 30 IBEDRN N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)s1 ZINC000797820717 1073008382 /nfs/dbraw/zinc/00/83/82/1073008382.db2.gz KTUFDZZVNHQBLE-LBPRGKRZSA-N 0 0 439.562 -0.557 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)OCc2c(C)nn(CCS(C)(=O)=O)c2C)C1=O ZINC000797862652 1073008717 /nfs/dbraw/zinc/00/87/17/1073008717.db2.gz DNTYMTQUENYLKA-UHFFFAOYSA-N 0 0 426.451 -0.435 20 30 IBEDRN CC1=C(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)Cn2nnnc2N1C ZINC000798157764 1073010489 /nfs/dbraw/zinc/01/04/89/1073010489.db2.gz QRKDGLQVLXKXLN-UHFFFAOYSA-N 0 0 428.478 -0.198 20 30 IBEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(CC(=O)N3CCCCC3)CC2)c1=O ZINC000798189813 1073010556 /nfs/dbraw/zinc/01/05/56/1073010556.db2.gz QWQPJMHMVPRXOU-UHFFFAOYSA-N 0 0 432.525 -0.869 20 30 IBEDRN C#CCNC(=O)CN1CCCN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000798290383 1073011690 /nfs/dbraw/zinc/01/16/90/1073011690.db2.gz ZIOLIPUONUNIPG-UHFFFAOYSA-N 0 0 437.478 -0.843 20 30 IBEDRN CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)Cn2cc(S(N)(=O)=O)cn2)cc1 ZINC000798318940 1073011765 /nfs/dbraw/zinc/01/17/65/1073011765.db2.gz SCANKTPNSRTZLR-HKWRFOASSA-N 0 0 440.507 -0.018 20 30 IBEDRN CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)Cn2cc(S(N)(=O)=O)cn2)cc1 ZINC000798318941 1073011834 /nfs/dbraw/zinc/01/18/34/1073011834.db2.gz SCANKTPNSRTZLR-HMMYKYKNSA-N 0 0 440.507 -0.018 20 30 IBEDRN C#CCNC(=O)CN1CCCN(C(=O)c2ccc(S(=O)(=O)N(C)CCO)cc2)CC1 ZINC000798324061 1073011631 /nfs/dbraw/zinc/01/16/31/1073011631.db2.gz MEMJHBZXUIIGPL-UHFFFAOYSA-N 0 0 436.534 -0.803 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)c2ccc(S(N)(=O)=O)c(Br)c2)CC1 ZINC000798325423 1073011727 /nfs/dbraw/zinc/01/17/27/1073011727.db2.gz XLVZKDIVKLVPSQ-UHFFFAOYSA-N 0 0 443.323 -0.396 20 30 IBEDRN C#CCC[C@H](O)CNC(=O)NCCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1 ZINC000798450502 1073012076 /nfs/dbraw/zinc/01/20/76/1073012076.db2.gz KFZHXGAWFNUHOU-HNNXBMFYSA-N 0 0 447.535 -0.136 20 30 IBEDRN C#CCC[C@@H](O)CNC(=O)NCCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1 ZINC000798450503 1073012173 /nfs/dbraw/zinc/01/21/73/1073012173.db2.gz KFZHXGAWFNUHOU-OAHLLOKOSA-N 0 0 447.535 -0.136 20 30 IBEDRN C[C@H](C(=O)OCC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)n1cnc(C#N)n1 ZINC000798742047 1073013913 /nfs/dbraw/zinc/01/39/13/1073013913.db2.gz ZFGOLJGJEOTLMG-CYBMUJFWSA-N 0 0 448.461 -0.086 20 30 IBEDRN C[C@@H](C(=O)OCC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)n1cnc(C#N)n1 ZINC000798742056 1073014031 /nfs/dbraw/zinc/01/40/31/1073014031.db2.gz ZFGOLJGJEOTLMG-ZDUSSCGKSA-N 0 0 448.461 -0.086 20 30 IBEDRN COc1ccc([C@@]2(C)NC(=O)N(NC(=O)COC(=O)[C@H](C)n3cnc(C#N)n3)C2=O)cc1 ZINC000798742747 1073014021 /nfs/dbraw/zinc/01/40/21/1073014021.db2.gz SQOLJDJIVFVFKJ-JEOXALJRSA-N 0 0 441.404 -0.239 20 30 IBEDRN COc1ccc([C@@]2(C)NC(=O)N(NC(=O)COC(=O)[C@@H](C)n3cnc(C#N)n3)C2=O)cc1 ZINC000798742748 1073013840 /nfs/dbraw/zinc/01/38/40/1073013840.db2.gz SQOLJDJIVFVFKJ-NSPYISDASA-N 0 0 441.404 -0.239 20 30 IBEDRN COc1ccc([C@]2(C)NC(=O)N(NC(=O)COC(=O)[C@H](C)n3cnc(C#N)n3)C2=O)cc1 ZINC000798742749 1073013948 /nfs/dbraw/zinc/01/39/48/1073013948.db2.gz SQOLJDJIVFVFKJ-WLRWDXFRSA-N 0 0 441.404 -0.239 20 30 IBEDRN COc1ccc([C@]2(C)NC(=O)N(NC(=O)COC(=O)[C@@H](C)n3cnc(C#N)n3)C2=O)cc1 ZINC000798742750 1073013935 /nfs/dbraw/zinc/01/39/35/1073013935.db2.gz SQOLJDJIVFVFKJ-WYRIXSBYSA-N 0 0 441.404 -0.239 20 30 IBEDRN C[C@@H](C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)n1cnc(C#N)n1 ZINC000798744321 1073013983 /nfs/dbraw/zinc/01/39/83/1073013983.db2.gz RNTUMRJBPBFXLK-AWEZNQCLSA-N 0 0 432.462 -0.213 20 30 IBEDRN C[C@H](C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)n1cnc(C#N)n1 ZINC000798744322 1073014070 /nfs/dbraw/zinc/01/40/70/1073014070.db2.gz RNTUMRJBPBFXLK-CQSZACIVSA-N 0 0 432.462 -0.213 20 30 IBEDRN C[C@H](C(=O)OCC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(C)c1=O)n1cnc(C#N)n1 ZINC000798744569 1073014042 /nfs/dbraw/zinc/01/40/42/1073014042.db2.gz LOHIKNNVIUUKEY-GFCCVEGCSA-N 0 0 437.416 -0.372 20 30 IBEDRN C[C@@H](C(=O)OCC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(C)c1=O)n1cnc(C#N)n1 ZINC000798744571 1073013820 /nfs/dbraw/zinc/01/38/20/1073013820.db2.gz LOHIKNNVIUUKEY-LBPRGKRZSA-N 0 0 437.416 -0.372 20 30 IBEDRN C[C@@H](C(=O)OCC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1)n1cnc(C#N)n1 ZINC000798744718 1073014065 /nfs/dbraw/zinc/01/40/65/1073014065.db2.gz BAOATBRTWUFKSC-HNNXBMFYSA-N 0 0 446.489 -0.072 20 30 IBEDRN C[C@H](C(=O)OCC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1)n1cnc(C#N)n1 ZINC000798744719 1073013860 /nfs/dbraw/zinc/01/38/60/1073013860.db2.gz BAOATBRTWUFKSC-OAHLLOKOSA-N 0 0 446.489 -0.072 20 30 IBEDRN C[C@H](C(=O)OCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)n1cnc(C#N)n1 ZINC000798748570 1073013853 /nfs/dbraw/zinc/01/38/53/1073013853.db2.gz YDLVMMAKVBHOHN-CYBMUJFWSA-N 0 0 448.461 -0.086 20 30 IBEDRN C[C@@H](C(=O)OCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)n1cnc(C#N)n1 ZINC000798748571 1073013972 /nfs/dbraw/zinc/01/39/72/1073013972.db2.gz YDLVMMAKVBHOHN-ZDUSSCGKSA-N 0 0 448.461 -0.086 20 30 IBEDRN C[C@]1(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCC(=O)NC1 ZINC000798783344 1073014473 /nfs/dbraw/zinc/01/44/73/1073014473.db2.gz WONRZLAQZPLMEM-FQEVSTJZSA-N 0 0 448.501 -0.149 20 30 IBEDRN C[C@@]1(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCC(=O)NC1 ZINC000798783345 1073014283 /nfs/dbraw/zinc/01/42/83/1073014283.db2.gz WONRZLAQZPLMEM-HXUWFJFHSA-N 0 0 448.501 -0.149 20 30 IBEDRN N#Cc1cccc(-n2ccc(C(=O)OCC(=O)NC(=O)N[C@@H]3CCS(=O)(=O)C3)n2)c1 ZINC000798801095 1073014708 /nfs/dbraw/zinc/01/47/08/1073014708.db2.gz UNMKZMJFGITEJG-CYBMUJFWSA-N 0 0 431.430 -0.086 20 30 IBEDRN N#Cc1cccc(-n2ccc(C(=O)OCC(=O)NC(=O)N[C@H]3CCS(=O)(=O)C3)n2)c1 ZINC000798801096 1073014942 /nfs/dbraw/zinc/01/49/42/1073014942.db2.gz UNMKZMJFGITEJG-ZDUSSCGKSA-N 0 0 431.430 -0.086 20 30 IBEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC(CNC(=O)C(F)(F)F)CC2)c1=O ZINC000799140855 1073017681 /nfs/dbraw/zinc/01/76/81/1073017681.db2.gz LBDIWXJTMMHGQB-UHFFFAOYSA-N 0 0 431.415 -0.108 20 30 IBEDRN C#CCC[C@H](O)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCCN(C)CC2)c1 ZINC000799284408 1073018915 /nfs/dbraw/zinc/01/89/15/1073018915.db2.gz FRMCTVFSLPKKLS-KRWDZBQOSA-N 0 0 436.534 -0.158 20 30 IBEDRN C#CCC[C@@H](O)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCCN(C)CC2)c1 ZINC000799284409 1073018980 /nfs/dbraw/zinc/01/89/80/1073018980.db2.gz FRMCTVFSLPKKLS-QGZVFWFLSA-N 0 0 436.534 -0.158 20 30 IBEDRN C#CCC[C@H](O)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCN(CC)CC2)c1 ZINC000799284586 1073019156 /nfs/dbraw/zinc/01/91/56/1073019156.db2.gz JOCZJPYYTVREFJ-KRWDZBQOSA-N 0 0 436.534 -0.158 20 30 IBEDRN C#CCC[C@@H](O)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCN(CC)CC2)c1 ZINC000799284587 1073019092 /nfs/dbraw/zinc/01/90/92/1073019092.db2.gz JOCZJPYYTVREFJ-QGZVFWFLSA-N 0 0 436.534 -0.158 20 30 IBEDRN C#CCC[C@H](O)CNC(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 ZINC000799284722 1073019017 /nfs/dbraw/zinc/01/90/17/1073019017.db2.gz NBDBQHAKXSIMNY-HNNXBMFYSA-N 0 0 439.490 -0.455 20 30 IBEDRN C#CCC[C@@H](O)CNC(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 ZINC000799284723 1073019114 /nfs/dbraw/zinc/01/91/14/1073019114.db2.gz NBDBQHAKXSIMNY-OAHLLOKOSA-N 0 0 439.490 -0.455 20 30 IBEDRN COCC[C@@H](CO)NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 ZINC000799285361 1073019148 /nfs/dbraw/zinc/01/91/48/1073019148.db2.gz DFGJORSCLQAJOM-FJGOLAJPSA-N 0 0 426.495 -0.049 20 30 IBEDRN COCC[C@H](CO)NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 ZINC000799285362 1073019166 /nfs/dbraw/zinc/01/91/66/1073019166.db2.gz DFGJORSCLQAJOM-HDOZFUISSA-N 0 0 426.495 -0.049 20 30 IBEDRN COCC[C@@H](CO)NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 ZINC000799285363 1073019065 /nfs/dbraw/zinc/01/90/65/1073019065.db2.gz DFGJORSCLQAJOM-IKBYJFNHSA-N 0 0 426.495 -0.049 20 30 IBEDRN COCC[C@H](CO)NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 ZINC000799285364 1073019176 /nfs/dbraw/zinc/01/91/76/1073019176.db2.gz DFGJORSCLQAJOM-VDVBZYJVSA-N 0 0 426.495 -0.049 20 30 IBEDRN C#CCC[C@H](O)CNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC ZINC000799285498 1073019135 /nfs/dbraw/zinc/01/91/35/1073019135.db2.gz GWZIIOGPJUWYCA-AWEZNQCLSA-N 0 0 439.490 -0.455 20 30 IBEDRN C#CCC[C@@H](O)CNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC ZINC000799285499 1073019046 /nfs/dbraw/zinc/01/90/46/1073019046.db2.gz GWZIIOGPJUWYCA-CQSZACIVSA-N 0 0 439.490 -0.455 20 30 IBEDRN COCC[C@@H](CO)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 ZINC000799287289 1073019053 /nfs/dbraw/zinc/01/90/53/1073019053.db2.gz SQZOHFMAYWFKFC-FJGOLAJPSA-N 0 0 426.495 -0.049 20 30 IBEDRN COCC[C@H](CO)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 ZINC000799287291 1073018954 /nfs/dbraw/zinc/01/89/54/1073018954.db2.gz SQZOHFMAYWFKFC-HDOZFUISSA-N 0 0 426.495 -0.049 20 30 IBEDRN COCC[C@@H](CO)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 ZINC000799287292 1073019411 /nfs/dbraw/zinc/01/94/11/1073019411.db2.gz SQZOHFMAYWFKFC-IKBYJFNHSA-N 0 0 426.495 -0.049 20 30 IBEDRN COCC[C@H](CO)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 ZINC000799287294 1073019442 /nfs/dbraw/zinc/01/94/42/1073019442.db2.gz SQZOHFMAYWFKFC-VDVBZYJVSA-N 0 0 426.495 -0.049 20 30 IBEDRN C#CCC[C@H](O)CNC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 ZINC000799287568 1073019101 /nfs/dbraw/zinc/01/91/01/1073019101.db2.gz RQTRHYJQJFEFKZ-AWEZNQCLSA-N 0 0 427.454 -0.324 20 30 IBEDRN C#CCC[C@@H](O)CNC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 ZINC000799287576 1073019125 /nfs/dbraw/zinc/01/91/25/1073019125.db2.gz RQTRHYJQJFEFKZ-CQSZACIVSA-N 0 0 427.454 -0.324 20 30 IBEDRN C#CCN(CCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000799307611 1073019490 /nfs/dbraw/zinc/01/94/90/1073019490.db2.gz MMOTWZPUJOCVBO-HNNXBMFYSA-N 0 0 448.588 -0.167 20 30 IBEDRN C#CCN(CCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000799307612 1073019481 /nfs/dbraw/zinc/01/94/81/1073019481.db2.gz MMOTWZPUJOCVBO-OAHLLOKOSA-N 0 0 448.588 -0.167 20 30 IBEDRN C#CCCN1CCN(S(=O)(=O)CCCS(=O)(=O)N2CCN(CCC#C)CC2)CC1 ZINC000799766626 1073020827 /nfs/dbraw/zinc/02/08/27/1073020827.db2.gz ORRIVKFEYYKELL-UHFFFAOYSA-N 0 0 444.623 -0.682 20 30 IBEDRN C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc(Br)cc(C(N)=O)c2)CC1 ZINC000799768554 1073020833 /nfs/dbraw/zinc/02/08/33/1073020833.db2.gz MKQGBLIDZYROCL-UHFFFAOYSA-N 0 0 443.323 -0.396 20 30 IBEDRN C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc(Cl)c(-c3nn[nH]n3)c2)CC1 ZINC000799772756 1073021309 /nfs/dbraw/zinc/02/13/09/1073021309.db2.gz MSKGKNSWMKUMBL-UHFFFAOYSA-N 0 0 437.913 -0.034 20 30 IBEDRN C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccccc2S(=O)(=O)NC)CC1 ZINC000799772788 1073021073 /nfs/dbraw/zinc/02/10/73/1073021073.db2.gz NUAILHPNMUAVGY-UHFFFAOYSA-N 0 0 428.536 -0.960 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2F)c(=O)n1CCOC ZINC000799934260 1073021988 /nfs/dbraw/zinc/02/19/88/1073021988.db2.gz RYPRTFFVEXSNFE-UHFFFAOYSA-N 0 0 435.477 -0.030 20 30 IBEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2F)c(=O)n1CC(=O)N(C)C ZINC000799937171 1073022018 /nfs/dbraw/zinc/02/20/18/1073022018.db2.gz KPHPZZHMJSUNHO-UHFFFAOYSA-N 0 0 444.488 -0.049 20 30 IBEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC(S(=O)(=O)N3CCCC3)CC2)c1=O ZINC000799957886 1073022045 /nfs/dbraw/zinc/02/20/45/1073022045.db2.gz IPKQWJKFBBNBJX-UHFFFAOYSA-N 0 0 439.538 -0.609 20 30 IBEDRN CCOC(=O)N1CCC(NC(=O)CCCNS(=O)(=O)N2CCO[C@@H](C#N)C2)CC1 ZINC000800008857 1074475704 /nfs/dbraw/zinc/47/57/04/1074475704.db2.gz DLSTYCDVMOMSSW-HNNXBMFYSA-N 0 0 431.515 -0.438 20 30 IBEDRN CCOC(=O)N1CCC(NC(=O)CCCNS(=O)(=O)N2CCO[C@H](C#N)C2)CC1 ZINC000800008858 1074475694 /nfs/dbraw/zinc/47/56/94/1074475694.db2.gz DLSTYCDVMOMSSW-OAHLLOKOSA-N 0 0 431.515 -0.438 20 30 IBEDRN COCCN(CCC#N)S(=O)(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 ZINC000800010349 1074475569 /nfs/dbraw/zinc/47/55/69/1074475569.db2.gz MSOHFJWEKXAIGW-UHFFFAOYSA-N 0 0 441.535 -0.140 20 30 IBEDRN N#C[C@@H]1CN(S(=O)(=O)N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)CCO1 ZINC000800010437 1074475550 /nfs/dbraw/zinc/47/55/50/1074475550.db2.gz QCSWEQUDOIZNNI-CYBMUJFWSA-N 0 0 425.492 -0.778 20 30 IBEDRN N#C[C@H]1CN(S(=O)(=O)N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)CCO1 ZINC000800010438 1074475657 /nfs/dbraw/zinc/47/56/57/1074475657.db2.gz QCSWEQUDOIZNNI-ZDUSSCGKSA-N 0 0 425.492 -0.778 20 30 IBEDRN COCCN(CCC#N)S(=O)(=O)NCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000800013964 1074475633 /nfs/dbraw/zinc/47/56/33/1074475633.db2.gz OBINTYGJEGIIAT-UHFFFAOYSA-N 0 0 433.531 -0.238 20 30 IBEDRN CN(CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)N1CCO[C@@H](C#N)C1 ZINC000800019395 1074475640 /nfs/dbraw/zinc/47/56/40/1074475640.db2.gz OERKIBYUCUKYMP-AWEZNQCLSA-N 0 0 431.515 -0.533 20 30 IBEDRN CN(CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)N1CCO[C@H](C#N)C1 ZINC000800019396 1074475659 /nfs/dbraw/zinc/47/56/59/1074475659.db2.gz OERKIBYUCUKYMP-CQSZACIVSA-N 0 0 431.515 -0.533 20 30 IBEDRN CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)C1 ZINC000800033765 1074475519 /nfs/dbraw/zinc/47/55/19/1074475519.db2.gz INRVPCYYFYQXCF-CABCVRRESA-N 0 0 445.542 -0.192 20 30 IBEDRN CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)C1 ZINC000800033766 1074475681 /nfs/dbraw/zinc/47/56/81/1074475681.db2.gz INRVPCYYFYQXCF-GJZGRUSLSA-N 0 0 445.542 -0.192 20 30 IBEDRN CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCCN(S(=O)(=O)N2CCO[C@H](C#N)C2)C1 ZINC000800033767 1074475690 /nfs/dbraw/zinc/47/56/90/1074475690.db2.gz INRVPCYYFYQXCF-HUUCEWRRSA-N 0 0 445.542 -0.192 20 30 IBEDRN CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCCN(S(=O)(=O)N2CCO[C@H](C#N)C2)C1 ZINC000800033768 1074475672 /nfs/dbraw/zinc/47/56/72/1074475672.db2.gz INRVPCYYFYQXCF-LSDHHAIUSA-N 0 0 445.542 -0.192 20 30 IBEDRN COC(=O)CS(=O)(=O)Cc1ccc(CNS(=O)(=O)N2CCO[C@@H](C#N)C2)cc1 ZINC000800079692 1074476078 /nfs/dbraw/zinc/47/60/78/1074476078.db2.gz XSQXQDGSHGSWTH-HNNXBMFYSA-N 0 0 431.492 -0.667 20 30 IBEDRN COC(=O)CS(=O)(=O)Cc1ccc(CNS(=O)(=O)N2CCO[C@H](C#N)C2)cc1 ZINC000800079693 1074476100 /nfs/dbraw/zinc/47/61/00/1074476100.db2.gz XSQXQDGSHGSWTH-OAHLLOKOSA-N 0 0 431.492 -0.667 20 30 IBEDRN CS(=O)(=O)Nc1ccc(N2CCN(S(=O)(=O)N3CCO[C@@H](C#N)C3)CC2)cc1 ZINC000800100379 1074476144 /nfs/dbraw/zinc/47/61/44/1074476144.db2.gz PSLUVPQRVODYDN-INIZCTEOSA-N 0 0 429.524 -0.351 20 30 IBEDRN CS(=O)(=O)Nc1ccc(N2CCN(S(=O)(=O)N3CCO[C@H](C#N)C3)CC2)cc1 ZINC000800100380 1074476137 /nfs/dbraw/zinc/47/61/37/1074476137.db2.gz PSLUVPQRVODYDN-MRXNPFEDSA-N 0 0 429.524 -0.351 20 30 IBEDRN COCCN(CCC#N)S(=O)(=O)N1CCN(c2ccccc2S(N)(=O)=O)CC1 ZINC000800124454 1074476070 /nfs/dbraw/zinc/47/60/70/1074476070.db2.gz YRZOFHICEQZUEC-UHFFFAOYSA-N 0 0 431.540 -0.437 20 30 IBEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)[C@H]2CCCC(=O)N2)CC1 ZINC000800244409 1072659473 /nfs/dbraw/zinc/65/94/73/1072659473.db2.gz VTRLBBDNYCOWRT-OAHLLOKOSA-N 0 0 434.474 -0.397 20 30 IBEDRN CNC(=O)CNC(=O)c1cccc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c1 ZINC000800370120 1072660748 /nfs/dbraw/zinc/66/07/48/1072660748.db2.gz AWEKGUAQLOKMGB-UHFFFAOYSA-N 0 0 429.458 -0.160 20 30 IBEDRN C#Cc1cccc(NC(=O)CNC(=O)C(=O)Nc2cccc(C(=O)NCC(=O)NC)c2)c1 ZINC000800627521 1072663489 /nfs/dbraw/zinc/66/34/89/1072663489.db2.gz LQVNJNYGTJLNFN-UHFFFAOYSA-N 0 0 435.440 -0.163 20 30 IBEDRN CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 ZINC000800665396 1072664493 /nfs/dbraw/zinc/66/44/93/1072664493.db2.gz GTXIHJPSSNDUJT-GXTWGEPZSA-N 0 0 428.536 -0.051 20 30 IBEDRN CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 ZINC000800665397 1072664519 /nfs/dbraw/zinc/66/45/19/1072664519.db2.gz GTXIHJPSSNDUJT-JSGCOSHPSA-N 0 0 428.536 -0.051 20 30 IBEDRN CN(CCOCCO)C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 ZINC000800667987 1072664471 /nfs/dbraw/zinc/66/44/71/1072664471.db2.gz QLPDWMJKHGZQPB-CAPFRKAQSA-N 0 0 426.495 -0.095 20 30 IBEDRN CN(CCOCCO)C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 ZINC000800667988 1072664323 /nfs/dbraw/zinc/66/43/23/1072664323.db2.gz QLPDWMJKHGZQPB-SILNSSARSA-N 0 0 426.495 -0.095 20 30 IBEDRN CN(CCOCCO)C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 ZINC000800670335 1072664526 /nfs/dbraw/zinc/66/45/26/1072664526.db2.gz MQYLODXPGHLLRO-CAPFRKAQSA-N 0 0 426.495 -0.095 20 30 IBEDRN CN(CCOCCO)C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 ZINC000800670336 1072664505 /nfs/dbraw/zinc/66/45/05/1072664505.db2.gz MQYLODXPGHLLRO-SILNSSARSA-N 0 0 426.495 -0.095 20 30 IBEDRN C=CCn1c(COCC)nnc1N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000800772567 1072666227 /nfs/dbraw/zinc/66/62/27/1072666227.db2.gz HTQUZZXHDRTWCS-AWEZNQCLSA-N 0 0 433.556 -0.361 20 30 IBEDRN C=CCn1c(COCC)nnc1N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000800772568 1072666207 /nfs/dbraw/zinc/66/62/07/1072666207.db2.gz HTQUZZXHDRTWCS-CQSZACIVSA-N 0 0 433.556 -0.361 20 30 IBEDRN C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(S(=O)(=O)N(CC)CC)CC1 ZINC000800772844 1072666235 /nfs/dbraw/zinc/66/62/35/1072666235.db2.gz SNPRPTCPCIJDPL-AWEZNQCLSA-N 0 0 449.603 -0.217 20 30 IBEDRN C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(S(=O)(=O)N(CC)CC)CC1 ZINC000800772845 1072666105 /nfs/dbraw/zinc/66/61/05/1072666105.db2.gz SNPRPTCPCIJDPL-CQSZACIVSA-N 0 0 449.603 -0.217 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)NN2C(=O)N[C@@](C)(c3ccc(OC)cc3)C2=O)C1=O ZINC000800789047 1072666269 /nfs/dbraw/zinc/66/62/69/1072666269.db2.gz JMAPGBFZPXQCND-IBGZPJMESA-N 0 0 429.389 -0.530 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)NN2C(=O)N[C@](C)(c3ccc(OC)cc3)C2=O)C1=O ZINC000800789048 1072666257 /nfs/dbraw/zinc/66/62/57/1072666257.db2.gz JMAPGBFZPXQCND-LJQANCHMSA-N 0 0 429.389 -0.530 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)NN2C(=O)N[C@@](C)(c3cccc(OC)c3)C2=O)C1=O ZINC000800789160 1072666161 /nfs/dbraw/zinc/66/61/61/1072666161.db2.gz WVLBQSOVNIJSDO-IBGZPJMESA-N 0 0 429.389 -0.530 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)NN2C(=O)N[C@](C)(c3cccc(OC)c3)C2=O)C1=O ZINC000800789161 1072666116 /nfs/dbraw/zinc/66/61/16/1072666116.db2.gz WVLBQSOVNIJSDO-LJQANCHMSA-N 0 0 429.389 -0.530 20 30 IBEDRN C#CCn1c(=O)c(=Cc2cc(C(=O)OC)c(CC)o2)sc1=C(C#N)C(=O)NCCOC ZINC000800849072 1072666780 /nfs/dbraw/zinc/66/67/80/1072666780.db2.gz TYPLEXFJCBMHEK-UHFFFAOYSA-N 0 0 443.481 -0.249 20 30 IBEDRN COC(=O)CN(CC#N)C(=O)c1ccc(F)c(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 ZINC000800896586 1072666816 /nfs/dbraw/zinc/66/68/16/1072666816.db2.gz NIXIUNUXTDDNLF-UHFFFAOYSA-N 0 0 440.453 -0.183 20 30 IBEDRN CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)N3CCN(CC#N)CC3)ccc2F)CC1 ZINC000801159401 1072670976 /nfs/dbraw/zinc/67/09/76/1072670976.db2.gz WSXSXOMTXRTWAG-UHFFFAOYSA-N 0 0 437.497 -0.040 20 30 IBEDRN C=CCNC(=O)CNC(=O)c1ccc(F)c(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 ZINC000801183580 1072672478 /nfs/dbraw/zinc/67/24/78/1072672478.db2.gz ROYNNGZVAIQCHM-UHFFFAOYSA-N 0 0 426.470 -0.290 20 30 IBEDRN N#Cc1ccc(N2CCN(C(=O)Cn3c4ccc(S(N)(=O)=O)cc4oc3=O)CC2)cn1 ZINC000801288197 1072675446 /nfs/dbraw/zinc/67/54/46/1072675446.db2.gz RVFVWKSAVFWEOY-UHFFFAOYSA-N 0 0 442.457 -0.143 20 30 IBEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CCC[C@]3(C)NC(=O)NC3=O)CC2)o1 ZINC000801431085 1072676779 /nfs/dbraw/zinc/67/67/79/1072676779.db2.gz JXKVWBGPYJOBSH-IBGZPJMESA-N 0 0 432.437 -0.185 20 30 IBEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CCC[C@@]3(C)NC(=O)NC3=O)CC2)o1 ZINC000801431092 1072676818 /nfs/dbraw/zinc/67/68/18/1072676818.db2.gz JXKVWBGPYJOBSH-LJQANCHMSA-N 0 0 432.437 -0.185 20 30 IBEDRN C#CCNC(=O)[C@@H](C)OC(=O)c1ccc(F)c(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 ZINC000801506374 1072677961 /nfs/dbraw/zinc/67/79/61/1072677961.db2.gz HHKBRAFYOHVBCS-CYBMUJFWSA-N 0 0 439.465 -0.027 20 30 IBEDRN C#CCNC(=O)[C@H](C)OC(=O)c1ccc(F)c(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 ZINC000801506375 1072677930 /nfs/dbraw/zinc/67/79/30/1072677930.db2.gz HHKBRAFYOHVBCS-ZDUSSCGKSA-N 0 0 439.465 -0.027 20 30 IBEDRN CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)OCC(=O)NCCC#N)ccc2F)CC1 ZINC000801506839 1072678480 /nfs/dbraw/zinc/67/84/80/1072678480.db2.gz XZGZGSHPNCUCMB-UHFFFAOYSA-N 0 0 440.453 -0.135 20 30 IBEDRN CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)OCC(=O)NCC#N)ccc2F)CC1 ZINC000801506940 1072678421 /nfs/dbraw/zinc/67/84/21/1072678421.db2.gz BNYYNQRUWXEZBV-UHFFFAOYSA-N 0 0 426.426 -0.525 20 30 IBEDRN C#CCNC(=O)COC(=O)c1ccc(F)c(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 ZINC000801508626 1072678520 /nfs/dbraw/zinc/67/85/20/1072678520.db2.gz WVQZRKXEWUNDSJ-UHFFFAOYSA-N 0 0 425.438 -0.415 20 30 IBEDRN N#Cc1ccc(N2CCN(CC(=O)N3CCN([C@H]4CCS(=O)(=O)C4)CC3)CC2)cn1 ZINC000801552747 1072679106 /nfs/dbraw/zinc/67/91/06/1072679106.db2.gz SUKJSYHAQMDPAY-IBGZPJMESA-N 0 0 432.550 -0.593 20 30 IBEDRN N#Cc1ccc(N2CCN(CC(=O)N3CCN([C@@H]4CCS(=O)(=O)C4)CC3)CC2)cn1 ZINC000801552849 1072679158 /nfs/dbraw/zinc/67/91/58/1072679158.db2.gz SUKJSYHAQMDPAY-LJQANCHMSA-N 0 0 432.550 -0.593 20 30 IBEDRN C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2OC)CC1 ZINC000801689187 1072679685 /nfs/dbraw/zinc/67/96/85/1072679685.db2.gz CPQPTEAWVXPROV-UHFFFAOYSA-N 0 0 429.520 -0.846 20 30 IBEDRN C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2OC)CC1 ZINC000801691232 1072679732 /nfs/dbraw/zinc/67/97/32/1072679732.db2.gz KGIIJRWFJZMGAW-UHFFFAOYSA-N 0 0 443.547 -0.456 20 30 IBEDRN CCOC(=O)CON=C(C(=O)N1CCCN(S(=O)(=O)C2CC2)CC1)c1ccn[nH]1 ZINC000802285550 1072684192 /nfs/dbraw/zinc/68/41/92/1072684192.db2.gz DRDLFTYRSFVBHM-UHFFFAOYSA-N 0 0 427.483 -0.280 20 30 IBEDRN O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCCN(S(=O)(=O)C2CC2)CC1 ZINC000802290169 1072684100 /nfs/dbraw/zinc/68/41/00/1072684100.db2.gz QSJYVARVAJUPHO-UHFFFAOYSA-N 0 0 426.520 -0.248 20 30 IBEDRN C#CCNC(=O)C1CCN(C(=O)CCC(=O)Nc2ccc3c(n2)n(C)c(=O)n3C)CC1 ZINC000802299702 1072684074 /nfs/dbraw/zinc/68/40/74/1072684074.db2.gz DHVJFSPRDYEKHT-UHFFFAOYSA-N 0 0 426.477 -0.021 20 30 IBEDRN COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000802363028 1072684784 /nfs/dbraw/zinc/68/47/84/1072684784.db2.gz IWYSYBNBSGOFPH-HNNXBMFYSA-N 0 0 425.449 -0.478 20 30 IBEDRN COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000802363032 1072684900 /nfs/dbraw/zinc/68/49/00/1072684900.db2.gz IWYSYBNBSGOFPH-OAHLLOKOSA-N 0 0 425.449 -0.478 20 30 IBEDRN C=CCNC(=O)CN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCOC)CC1 ZINC000802423718 1072686044 /nfs/dbraw/zinc/68/60/44/1072686044.db2.gz BFCBVOVQKCXGPK-UHFFFAOYSA-N 0 0 428.497 -0.004 20 30 IBEDRN C#Cc1cc(F)c(NC(=O)C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)c(F)c1 ZINC000802550091 1072688644 /nfs/dbraw/zinc/68/86/44/1072688644.db2.gz KZUQGGPZYSBGJC-UHFFFAOYSA-N 0 0 434.399 -0.586 20 30 IBEDRN C#Cc1cc(F)c(NC(=O)C(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)c(F)c1 ZINC000802550921 1072688713 /nfs/dbraw/zinc/68/87/13/1072688713.db2.gz JYCIHXINOWNDPS-UHFFFAOYSA-N 0 0 432.383 -0.296 20 30 IBEDRN C#Cc1cc(F)c(NC(=O)C(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)c(F)c1 ZINC000802552064 1072688758 /nfs/dbraw/zinc/68/87/58/1072688758.db2.gz MLDQDNJSQRIUBZ-UHFFFAOYSA-N 0 0 442.444 -0.394 20 30 IBEDRN C=C(C)Cn1c(COC)nnc1N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000802565217 1072688687 /nfs/dbraw/zinc/68/86/87/1072688687.db2.gz XJBPBQHNNIKCLB-AWEZNQCLSA-N 0 0 433.556 -0.361 20 30 IBEDRN C=C(C)Cn1c(COC)nnc1N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000802565218 1072688747 /nfs/dbraw/zinc/68/87/47/1072688747.db2.gz XJBPBQHNNIKCLB-CQSZACIVSA-N 0 0 433.556 -0.361 20 30 IBEDRN C#Cc1cc(F)c(NC(=O)C(=O)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)c(F)c1 ZINC000802572636 1072688667 /nfs/dbraw/zinc/68/86/67/1072688667.db2.gz ATGGYRTVLUZTHG-UHFFFAOYSA-N 0 0 432.387 -0.627 20 30 IBEDRN COCCCn1nccc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(CCOC)c1=O ZINC000802721942 1072690363 /nfs/dbraw/zinc/69/03/63/1072690363.db2.gz CJVQSWWVKNCISG-UHFFFAOYSA-N 0 0 431.518 -0.429 20 30 IBEDRN COCCCn1nccc1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(CCOC)c1=O ZINC000802721992 1072690245 /nfs/dbraw/zinc/69/02/45/1072690245.db2.gz DQHYIVRYUVDZRG-UHFFFAOYSA-N 0 0 445.545 -0.085 20 30 IBEDRN COCCCn1nccc1C=c1sc(=C(C#N)C#N)n(CCN2CCOCC2)c1=O ZINC000802722120 1072690256 /nfs/dbraw/zinc/69/02/56/1072690256.db2.gz HYHOLOBGYSIEOR-UHFFFAOYSA-N 0 0 428.518 -0.498 20 30 IBEDRN COCCCn1nccc1C=c1sc(=C(C#N)C(=O)NC(C)C)n(CCOC)c1=O ZINC000802722143 1072690205 /nfs/dbraw/zinc/69/02/05/1072690205.db2.gz IIXBQQRAGWNKGN-UHFFFAOYSA-N 0 0 433.534 -0.183 20 30 IBEDRN C#CCn1c(=O)c(=Cc2ccnn2CCCOC)sc1=C(C#N)C(=O)N[C@@H](C)COC ZINC000802723298 1072690358 /nfs/dbraw/zinc/69/03/58/1072690358.db2.gz GTRGLOZXABENTD-HNNXBMFYSA-N 0 0 443.529 -0.570 20 30 IBEDRN C#CCn1c(=O)c(=Cc2ccnn2CCCOC)sc1=C(C#N)C(=O)N[C@H](C)COC ZINC000802723299 1072690266 /nfs/dbraw/zinc/69/02/66/1072690266.db2.gz GTRGLOZXABENTD-OAHLLOKOSA-N 0 0 443.529 -0.570 20 30 IBEDRN C#CCn1c(=O)c(=Cc2ccnn2CCCOC)sc1=C(C#N)C(=O)N1CCCC1 ZINC000802723336 1072690183 /nfs/dbraw/zinc/69/01/83/1072690183.db2.gz HWVPJVASJZEVMZ-UHFFFAOYSA-N 0 0 425.514 -0.099 20 30 IBEDRN C#CCn1c(=O)c(=Cc2ccnn2CCCOC)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000802723745 1072690276 /nfs/dbraw/zinc/69/02/76/1072690276.db2.gz OYBYPVUAGWKVBM-UHFFFAOYSA-N 0 0 441.513 -0.862 20 30 IBEDRN C#CCn1c(=O)c(=Cc2ccnn2CCCOC)sc1=C(C#N)C(=O)NCCOC ZINC000802723817 1072690312 /nfs/dbraw/zinc/69/03/12/1072690312.db2.gz RJSLRQQTEQFCNB-UHFFFAOYSA-N 0 0 429.502 -0.958 20 30 IBEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCCN(S(=O)(=O)C3CC3)CC2)c1=O ZINC000802746807 1072690809 /nfs/dbraw/zinc/69/08/09/1072690809.db2.gz WHRKQOJZULGUCV-UHFFFAOYSA-N 0 0 425.511 -0.999 20 30 IBEDRN CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NCCS(=O)(=O)Cc1ccccc1 ZINC000803137243 1072695590 /nfs/dbraw/zinc/69/55/90/1072695590.db2.gz HYLWWISCRMHJBS-UHFFFAOYSA-N 0 0 432.506 -0.014 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)NCCS(=O)(=O)Cc2ccccc2)CC1 ZINC000803139514 1072696042 /nfs/dbraw/zinc/69/60/42/1072696042.db2.gz GHSZFBFPRUPLDI-UHFFFAOYSA-N 0 0 436.534 -0.836 20 30 IBEDRN CS(=O)(=O)c1ccc(C(=O)COC(=O)CN=C2NS(=O)(=O)c3ccccc32)cn1 ZINC000803231556 1072698004 /nfs/dbraw/zinc/69/80/04/1072698004.db2.gz UXLHPZRUFUILRA-UHFFFAOYSA-N 0 0 437.455 -0.050 20 30 IBEDRN CN(C[C@H]1CCCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1)S(C)(=O)=O ZINC000803414418 1072700584 /nfs/dbraw/zinc/70/05/84/1072700584.db2.gz YOHNUTYRMXSYJB-CYBMUJFWSA-N 0 0 428.536 -0.145 20 30 IBEDRN CN(C[C@@H]1CCCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1)S(C)(=O)=O ZINC000803414419 1072700560 /nfs/dbraw/zinc/70/05/60/1072700560.db2.gz YOHNUTYRMXSYJB-ZDUSSCGKSA-N 0 0 428.536 -0.145 20 30 IBEDRN CN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1 ZINC000803418127 1072700547 /nfs/dbraw/zinc/70/05/47/1072700547.db2.gz UEOPQFNRRJCCOC-CYBMUJFWSA-N 0 0 428.536 -0.002 20 30 IBEDRN CN(C)S(=O)(=O)[C@H]1CCCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1 ZINC000803418128 1072700511 /nfs/dbraw/zinc/70/05/11/1072700511.db2.gz UEOPQFNRRJCCOC-ZDUSSCGKSA-N 0 0 428.536 -0.002 20 30 IBEDRN CN(C)S(=O)(=O)C[C@@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)C(F)(F)F ZINC000803443875 1072700985 /nfs/dbraw/zinc/70/09/85/1072700985.db2.gz XFPBNAXQKMNGHI-LLVKDONJSA-N 0 0 442.441 -0.336 20 30 IBEDRN CN(C)S(=O)(=O)C[C@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)C(F)(F)F ZINC000803443878 1072701055 /nfs/dbraw/zinc/70/10/55/1072701055.db2.gz XFPBNAXQKMNGHI-NSHDSACASA-N 0 0 442.441 -0.336 20 30 IBEDRN CC[S@@](=O)CC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000803475526 1072701491 /nfs/dbraw/zinc/70/14/91/1072701491.db2.gz UKRYRIWTCUWDCK-HHHXNRCGSA-N 0 0 427.504 -0.297 20 30 IBEDRN CC[S@](=O)CC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000803475527 1072701589 /nfs/dbraw/zinc/70/15/89/1072701589.db2.gz UKRYRIWTCUWDCK-MHZLTWQESA-N 0 0 427.504 -0.297 20 30 IBEDRN CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)NCCn3cnc(C#N)n3)ccc2F)CC1 ZINC000803553884 1072702577 /nfs/dbraw/zinc/70/25/77/1072702577.db2.gz VVYOTLDTCDTTAZ-UHFFFAOYSA-N 0 0 449.468 -0.428 20 30 IBEDRN COC(=O)COCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000803804079 1072706847 /nfs/dbraw/zinc/70/68/47/1072706847.db2.gz GPHDSNZJOHMLQA-UHFFFAOYSA-N 0 0 439.446 -0.876 20 30 IBEDRN N#Cc1ccc(NCCNC(=O)C(=O)NCC(=O)N2CCN(c3ccccc3)CC2)nc1 ZINC000804005072 1072711087 /nfs/dbraw/zinc/71/10/87/1072711087.db2.gz VEHIGMBBUHXTMM-UHFFFAOYSA-N 0 0 435.488 -0.054 20 30 IBEDRN C=C(Br)CNC(=O)C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 ZINC000804148160 1073297263 /nfs/dbraw/zinc/29/72/63/1073297263.db2.gz ZHDDJODSIVSAPT-UHFFFAOYSA-N 0 0 425.287 -0.344 20 30 IBEDRN N#Cc1ccc(F)c(CNC(=O)C(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)c1 ZINC000804148324 1073297267 /nfs/dbraw/zinc/29/72/67/1073297267.db2.gz GXCKRZLONQNHFD-UHFFFAOYSA-N 0 0 439.451 -0.041 20 30 IBEDRN CCOC(=O)CON=C(C(=O)N1CCC[C@H](CN(C)S(C)(=O)=O)C1)c1ccn[nH]1 ZINC000804185552 1073301214 /nfs/dbraw/zinc/30/12/14/1073301214.db2.gz QTAIHSBENYQYQR-CYBMUJFWSA-N 0 0 429.499 -0.177 20 30 IBEDRN CCOC(=O)CON=C(C(=O)N1CCC[C@@H](CN(C)S(C)(=O)=O)C1)c1ccn[nH]1 ZINC000804185553 1073301193 /nfs/dbraw/zinc/30/11/93/1073301193.db2.gz QTAIHSBENYQYQR-ZDUSSCGKSA-N 0 0 429.499 -0.177 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000804266061 1073582707 /nfs/dbraw/zinc/58/27/07/1073582707.db2.gz VZAQXFZVRKPTTA-INIZCTEOSA-N 0 0 437.541 -0.052 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000804266062 1073582650 /nfs/dbraw/zinc/58/26/50/1073582650.db2.gz VZAQXFZVRKPTTA-MRXNPFEDSA-N 0 0 437.541 -0.052 20 30 IBEDRN C#CCNc1nc(N2CCN(C(=O)OCC)CC2)nc(N2CCN(C(=O)OCC)CC2)n1 ZINC000804317281 1073599268 /nfs/dbraw/zinc/59/92/68/1073599268.db2.gz YJUWUAPGNJMGHD-UHFFFAOYSA-N 0 0 446.512 -0.104 20 30 IBEDRN C#CCNc1nc(N2CCN(C(=O)C(C)C)CC2)nc(N2CCN(C(=O)C(C)C)CC2)n1 ZINC000804326236 1073601306 /nfs/dbraw/zinc/60/13/06/1073601306.db2.gz MOUZHWHZLWQPNW-UHFFFAOYSA-N 0 0 442.568 -0.052 20 30 IBEDRN C#CCNc1nc(N2CCN(C(=O)C3CC3)CC2)nc(N2CCN(C(=O)C3CC3)CC2)n1 ZINC000804326914 1073601362 /nfs/dbraw/zinc/60/13/62/1073601362.db2.gz IKYMLDHGGHBLIM-UHFFFAOYSA-N 0 0 438.536 -0.544 20 30 IBEDRN C#CCNc1nc(N2CCC(C(=O)N(C)C)CC2)nc(N2CCC(C(=O)N(C)C)CC2)n1 ZINC000804327627 1073601537 /nfs/dbraw/zinc/60/15/37/1073601537.db2.gz UFTLRPUYVCRASJ-UHFFFAOYSA-N 0 0 442.568 -0.052 20 30 IBEDRN CS(=O)(=O)NCC1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC000804328240 1073601519 /nfs/dbraw/zinc/60/15/19/1073601519.db2.gz FLIDIUMGWVJSKR-UHFFFAOYSA-N 0 0 428.536 -0.097 20 30 IBEDRN C#CCNc1nc(N2CCN(C(=O)NCC)CC2)nc(N2CCN(C(=O)NCC)CC2)n1 ZINC000804335450 1073604061 /nfs/dbraw/zinc/60/40/61/1073604061.db2.gz ZNBANWJSDOWGKM-UHFFFAOYSA-N 0 0 444.544 -0.958 20 30 IBEDRN C#CCNc1nc(N2CCC[C@@H]2C(=O)NC2CC2)nc(N2CCC[C@H]2C(=O)NC2CC2)n1 ZINC000804346102 1073611053 /nfs/dbraw/zinc/61/10/53/1073611053.db2.gz RGOALCMLNTVISP-CALCHBBNSA-N 0 0 438.536 -0.167 20 30 IBEDRN C#CCNc1nc(N2CCC[C@@H]2C(=O)NC2CC2)nc(N2CCC[C@@H]2C(=O)NC2CC2)n1 ZINC000804346103 1073611094 /nfs/dbraw/zinc/61/10/94/1073611094.db2.gz RGOALCMLNTVISP-IAGOWNOFSA-N 0 0 438.536 -0.167 20 30 IBEDRN C#CCNc1nc(N2CCC[C@H]2C(=O)NC2CC2)nc(N2CCC[C@H]2C(=O)NC2CC2)n1 ZINC000804346104 1073610947 /nfs/dbraw/zinc/61/09/47/1073610947.db2.gz RGOALCMLNTVISP-IRXDYDNUSA-N 0 0 438.536 -0.167 20 30 IBEDRN C#CCNC(=O)C1CCN(c2ccc(S(=O)(=O)N(C)C)cc2S(N)(=O)=O)CC1 ZINC000804396862 1073844935 /nfs/dbraw/zinc/84/49/35/1073844935.db2.gz KAZOTJQWNFRGIK-UHFFFAOYSA-N 0 0 428.536 -0.450 20 30 IBEDRN CS(=O)(=O)N[C@@H]1CCCC[C@H]1CNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 ZINC000804495462 1073846548 /nfs/dbraw/zinc/84/65/48/1073846548.db2.gz FCKDTUOHORGSTQ-GXTWGEPZSA-N 0 0 428.536 -0.051 20 30 IBEDRN CS(=O)(=O)N[C@@H]1CCCC[C@@H]1CNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 ZINC000804495465 1073846488 /nfs/dbraw/zinc/84/64/88/1073846488.db2.gz FCKDTUOHORGSTQ-TZMCWYRMSA-N 0 0 428.536 -0.051 20 30 IBEDRN CCOC(=O)CON=C(C(=O)NC[C@H]1CCCC[C@H]1NS(C)(=O)=O)c1cc[nH]n1 ZINC000804496752 1073846315 /nfs/dbraw/zinc/84/63/15/1073846315.db2.gz QOEKWVRPPAMWMI-CHWSQXEVSA-N 0 0 429.499 -0.082 20 30 IBEDRN CCOC(=O)CON=C(C(=O)NC[C@H]1CCCC[C@@H]1NS(C)(=O)=O)c1cc[nH]n1 ZINC000804496755 1073846271 /nfs/dbraw/zinc/84/62/71/1073846271.db2.gz QOEKWVRPPAMWMI-OLZOCXBDSA-N 0 0 429.499 -0.082 20 30 IBEDRN CCOC(=O)CON=C(C(=O)NC[C@@H]1CCCC[C@H]1NS(C)(=O)=O)c1cc[nH]n1 ZINC000804496758 1073846365 /nfs/dbraw/zinc/84/63/65/1073846365.db2.gz QOEKWVRPPAMWMI-QWHCGFSZSA-N 0 0 429.499 -0.082 20 30 IBEDRN CCOC(=O)CON=C(C(=O)NC[C@@H]1CCCC[C@@H]1NS(C)(=O)=O)c1cc[nH]n1 ZINC000804496760 1073846339 /nfs/dbraw/zinc/84/63/39/1073846339.db2.gz QOEKWVRPPAMWMI-STQMWFEESA-N 0 0 429.499 -0.082 20 30 IBEDRN C#CCNc1nc(N2CCN([C@@H]3CCOC3)CC2)nc(N2CCN([C@H]3CCOC3)CC2)n1 ZINC000804561936 1073849308 /nfs/dbraw/zinc/84/93/08/1073849308.db2.gz VEJFCGMZXXWWER-KDURUIRLSA-N 0 0 442.568 -0.840 20 30 IBEDRN C#CCNc1nc(N2CCN([C@H]3CCOC3)CC2)nc(N2CCN([C@H]3CCOC3)CC2)n1 ZINC000804561939 1073849490 /nfs/dbraw/zinc/84/94/90/1073849490.db2.gz VEJFCGMZXXWWER-OALUTQOASA-N 0 0 442.568 -0.840 20 30 IBEDRN C#CCNc1nc(N2CCN([C@@H]3CCOC3)CC2)nc(N2CCN([C@@H]3CCOC3)CC2)n1 ZINC000804561940 1073849499 /nfs/dbraw/zinc/84/94/99/1073849499.db2.gz VEJFCGMZXXWWER-RTBURBONSA-N 0 0 442.568 -0.840 20 30 IBEDRN C#Cc1cccc(NC(=O)CN(C)c2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1 ZINC000804562931 1073849334 /nfs/dbraw/zinc/84/93/34/1073849334.db2.gz ONOCRIUFGWMXBT-HAXDFEGKSA-N 0 0 438.444 -0.506 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H](C)c2ccc3c(c2)CC(=O)N3C)CC1 ZINC000804571485 1073849376 /nfs/dbraw/zinc/84/93/76/1073849376.db2.gz HPQMDGOLUOUAQL-HNNXBMFYSA-N 0 0 427.505 -0.171 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H](C)c2ccc3c(c2)CC(=O)N3C)CC1 ZINC000804571486 1073849517 /nfs/dbraw/zinc/84/95/17/1073849517.db2.gz HPQMDGOLUOUAQL-OAHLLOKOSA-N 0 0 427.505 -0.171 20 30 IBEDRN N#Cc1cccc([C@H]2CN(c3ncnc4c3ncn4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)CCO2)c1 ZINC000804580704 1073850119 /nfs/dbraw/zinc/85/01/19/1073850119.db2.gz BWAQRHOMFYDSFH-SQDDPSDBSA-N 0 0 438.444 -0.113 20 30 IBEDRN N#Cc1cccc([C@@H]2CN(c3ncnc4c3ncn4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)CCO2)c1 ZINC000804580705 1073849942 /nfs/dbraw/zinc/84/99/42/1073849942.db2.gz BWAQRHOMFYDSFH-UQEZQTQMSA-N 0 0 438.444 -0.113 20 30 IBEDRN C#CCNc1nc(N2CCN3C(=O)OCC[C@@H]3C2)nc(N2CCN3C(=O)OCC[C@H]3C2)n1 ZINC000804584261 1073849832 /nfs/dbraw/zinc/84/98/32/1073849832.db2.gz QXGDQDCEGAFRKS-GASCZTMLSA-N 0 0 442.480 -0.600 20 30 IBEDRN C#CCNc1nc(N2CCN3C(=O)OCC[C@H]3C2)nc(N2CCN3C(=O)OCC[C@H]3C2)n1 ZINC000804584262 1073849862 /nfs/dbraw/zinc/84/98/62/1073849862.db2.gz QXGDQDCEGAFRKS-GJZGRUSLSA-N 0 0 442.480 -0.600 20 30 IBEDRN C#CCNc1nc(N2CCN3C(=O)OCC[C@@H]3C2)nc(N2CCN3C(=O)OCC[C@@H]3C2)n1 ZINC000804584263 1073850016 /nfs/dbraw/zinc/85/00/16/1073850016.db2.gz QXGDQDCEGAFRKS-HUUCEWRRSA-N 0 0 442.480 -0.600 20 30 IBEDRN C#CCNc1nc(N2CCC3(COC(=O)N3)CC2)nc(N2CCC3(COC(=O)N3)CC2)n1 ZINC000804611936 1073850762 /nfs/dbraw/zinc/85/07/62/1073850762.db2.gz GSYDVASMCHRDNN-UHFFFAOYSA-N 0 0 442.480 -0.504 20 30 IBEDRN N#Cc1ncn(CCNC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@H]2CCCO2)C3=O)n1 ZINC000804621048 1073851306 /nfs/dbraw/zinc/85/13/06/1073851306.db2.gz FWNGVIWXPXNQGN-CYBMUJFWSA-N 0 0 430.446 -0.097 20 30 IBEDRN N#Cc1ncn(CCNC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@@H]2CCCO2)C3=O)n1 ZINC000804621049 1073851056 /nfs/dbraw/zinc/85/10/56/1073851056.db2.gz FWNGVIWXPXNQGN-ZDUSSCGKSA-N 0 0 430.446 -0.097 20 30 IBEDRN C#CCNc1nc(N2CCN(CC(C)C)C(=O)C2)nc(N2CCN(CC(C)C)C(=O)C2)n1 ZINC000804624850 1073852099 /nfs/dbraw/zinc/85/20/99/1073852099.db2.gz BVDWIMZUZCTWHJ-UHFFFAOYSA-N 0 0 442.568 -0.052 20 30 IBEDRN C#CCNc1nc(N2CC[C@@H](N3CCCC3=O)C2)nc(N2CC[C@H](N3CCCC3=O)C2)n1 ZINC000804648107 1073852817 /nfs/dbraw/zinc/85/28/17/1073852817.db2.gz NULHLTQCRZGYPU-CALCHBBNSA-N 0 0 438.536 -0.259 20 30 IBEDRN C#CCNc1nc(N(C)[C@@H]2CCN(CC=C)C2=O)nc(N(C)[C@H]2CCN(CC=C)C2=O)n1 ZINC000804683525 1073853610 /nfs/dbraw/zinc/85/36/10/1073853610.db2.gz NDSIBOKKWNUQRS-CALCHBBNSA-N 0 0 438.536 -0.215 20 30 IBEDRN C#CCNc1nc(N(C)[C@@H]2CCN(CC=C)C2=O)nc(N(C)[C@@H]2CCN(CC=C)C2=O)n1 ZINC000804683528 1073853710 /nfs/dbraw/zinc/85/37/10/1073853710.db2.gz NDSIBOKKWNUQRS-IAGOWNOFSA-N 0 0 438.536 -0.215 20 30 IBEDRN C#CCNc1nc(N(C)[C@H]2CCN(CC=C)C2=O)nc(N(C)[C@H]2CCN(CC=C)C2=O)n1 ZINC000804683530 1073853639 /nfs/dbraw/zinc/85/36/39/1073853639.db2.gz NDSIBOKKWNUQRS-IRXDYDNUSA-N 0 0 438.536 -0.215 20 30 IBEDRN C#CCNc1nc(N2CC[C@@H]3NC(=O)OC[C@H]3C2)nc(N2CC[C@@H]3NC(=O)OC[C@H]3C2)n1 ZINC000804683995 1073853803 /nfs/dbraw/zinc/85/38/03/1073853803.db2.gz PCLBTSHXGTXPQZ-KBXIAJHMSA-N 0 0 442.480 -0.792 20 30 IBEDRN Cc1nn(C)c(N2CCN(C(=O)C(=O)NC3CN(C(=O)OC(C)(C)C)C3)CC2)c1C#N ZINC000804750599 1073855307 /nfs/dbraw/zinc/85/53/07/1073855307.db2.gz ODMNLUUCHDNNKZ-UHFFFAOYSA-N 0 0 431.497 -0.016 20 30 IBEDRN N#CCNC(=O)CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br ZINC000804820063 1073857323 /nfs/dbraw/zinc/85/73/23/1073857323.db2.gz ZDUBOMJLJVZGDC-UHFFFAOYSA-N 0 0 445.295 -0.160 20 30 IBEDRN COCCNS(=O)(=O)c1ccc(Br)c(C(=O)NCC(=O)NCC#N)c1 ZINC000804820372 1073856819 /nfs/dbraw/zinc/85/68/19/1073856819.db2.gz GGENUONACCGVHW-UHFFFAOYSA-N 0 0 433.284 -0.257 20 30 IBEDRN N#CCNC(=O)CNC(=O)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1 ZINC000804820412 1073856897 /nfs/dbraw/zinc/85/68/97/1073856897.db2.gz GXTGEVDNZHKMQD-UHFFFAOYSA-N 0 0 445.295 -0.160 20 30 IBEDRN COc1ccc(CNC(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)cc1C#N ZINC000804868898 1073858081 /nfs/dbraw/zinc/85/80/81/1073858081.db2.gz GUMBGHMIGKCTJO-UHFFFAOYSA-N 0 0 426.520 -0.322 20 30 IBEDRN C=CCNC(=O)CN1CCN(S(=O)(=O)c2cc(C(=O)C(=O)OCC)n(C)c2)CC1 ZINC000804942080 1073862072 /nfs/dbraw/zinc/86/20/72/1073862072.db2.gz ACTSVIANWKUREA-UHFFFAOYSA-N 0 0 426.495 -0.621 20 30 IBEDRN C#CCCCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000804942399 1073862002 /nfs/dbraw/zinc/86/20/02/1073862002.db2.gz QFEVBNCTQJFWNK-UHFFFAOYSA-N 0 0 435.549 -0.617 20 30 IBEDRN C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]21C(=O)OCC(=O)N1CCNC(=O)C1 ZINC000804945853 1073861950 /nfs/dbraw/zinc/86/19/50/1073861950.db2.gz TWNNDATXGSWYFS-NRFANRHFSA-N 0 0 426.429 -0.347 20 30 IBEDRN C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@]21C(=O)OCC(=O)N1CCNC(=O)C1 ZINC000804945854 1073862024 /nfs/dbraw/zinc/86/20/24/1073862024.db2.gz TWNNDATXGSWYFS-OAQYLSRUSA-N 0 0 426.429 -0.347 20 30 IBEDRN C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(S(=O)(=O)NCCC)cc2)CC1 ZINC000804986281 1073864347 /nfs/dbraw/zinc/86/43/47/1073864347.db2.gz JJYQCASWXDOJQB-UHFFFAOYSA-N 0 0 442.563 -0.569 20 30 IBEDRN C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccccc2S(=O)(=O)C(F)F)CC1 ZINC000804987011 1073863107 /nfs/dbraw/zinc/86/31/07/1073863107.db2.gz URDWCGJSWKSSIP-UHFFFAOYSA-N 0 0 435.474 -0.261 20 30 IBEDRN C#CCNC(=O)CN1CCCN(S(=O)(=O)c2nc(C)n(C)c2Br)CC1 ZINC000805007101 1073866542 /nfs/dbraw/zinc/86/65/42/1073866542.db2.gz NCWOUIWBHWTCFW-UHFFFAOYSA-N 0 0 432.344 -0.063 20 30 IBEDRN C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cc(C(=O)C(=O)OCC)n(C)c2)CC1 ZINC000805007263 1073866644 /nfs/dbraw/zinc/86/66/44/1073866644.db2.gz PAIRJFNSIGZPND-UHFFFAOYSA-N 0 0 438.506 -0.783 20 30 IBEDRN N#CCN1CCC(NC(=O)C(=O)N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)CC1 ZINC000805058529 1073867107 /nfs/dbraw/zinc/86/71/07/1073867107.db2.gz SXRPYWSXGBELAE-UHFFFAOYSA-N 0 0 444.517 -0.616 20 30 IBEDRN C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)c1 ZINC000805249470 1073870737 /nfs/dbraw/zinc/87/07/37/1073870737.db2.gz XWUJYBUKXIEVOP-OAHLLOKOSA-N 0 0 428.536 -0.401 20 30 IBEDRN CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1 ZINC000805250217 1073870573 /nfs/dbraw/zinc/87/05/73/1073870573.db2.gz PHVXHBYBSXEGBD-GFCCVEGCSA-N 0 0 429.524 -0.888 20 30 IBEDRN CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1 ZINC000805250400 1073887400 /nfs/dbraw/zinc/88/74/00/1073887400.db2.gz RHCZYWGDUVDISO-CYBMUJFWSA-N 0 0 443.551 -0.498 20 30 IBEDRN C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1 ZINC000805250764 1073870907 /nfs/dbraw/zinc/87/09/07/1073870907.db2.gz WAMVDGNEAQEZAO-OAHLLOKOSA-N 0 0 428.536 -0.401 20 30 IBEDRN CCS(=O)(=O)N1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)[C@H](C)C1 ZINC000805362012 1073872304 /nfs/dbraw/zinc/87/23/04/1073872304.db2.gz PKRQPMFFTAXUJH-CYBMUJFWSA-N 0 0 428.536 -0.002 20 30 IBEDRN CS(=O)(=O)CCN1CCC(NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)CC1 ZINC000805375867 1073873872 /nfs/dbraw/zinc/87/38/72/1073873872.db2.gz CUPSGOUHMRNKQI-UHFFFAOYSA-N 0 0 448.549 -0.773 20 30 IBEDRN CS(=O)(=O)CCN1CCC(NC(=O)C(=O)N2CCN(c3ccccc3C#N)CC2)CC1 ZINC000805381673 1073977652 /nfs/dbraw/zinc/97/76/52/1073977652.db2.gz TUBMDVZTIRLPKF-UHFFFAOYSA-N 0 0 447.561 -0.168 20 30 IBEDRN CCOC(=O)CON=C(C(=O)N[C@@H]1CCCN(S(=O)(=O)N(C)C)C1)c1cc[nH]n1 ZINC000805487915 1073876475 /nfs/dbraw/zinc/87/64/75/1073876475.db2.gz YUWYKIPPSIOCHF-GFCCVEGCSA-N 0 0 430.487 -0.920 20 30 IBEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)CCCCC(N)=O)CC1 ZINC000805562354 1074017930 /nfs/dbraw/zinc/01/79/30/1074017930.db2.gz ASNIHBZEMMGTSE-UHFFFAOYSA-N 0 0 436.490 -0.020 20 30 IBEDRN Cn1c(N)c(C(=O)COC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)c(=O)n(C)c1=O ZINC000805590372 1073878128 /nfs/dbraw/zinc/87/81/28/1073878128.db2.gz UHKHQQXEZJCSMS-GFCCVEGCSA-N 0 0 429.408 -0.071 20 30 IBEDRN Cn1c(N)c(C(=O)COC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)c(=O)n(C)c1=O ZINC000805590380 1073878090 /nfs/dbraw/zinc/87/80/90/1073878090.db2.gz UHKHQQXEZJCSMS-LBPRGKRZSA-N 0 0 429.408 -0.071 20 30 IBEDRN C=CC[C@H](NC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1)c1ccncc1 ZINC000805813080 1073880314 /nfs/dbraw/zinc/88/03/14/1073880314.db2.gz CYHUYTCLDWGCBF-KRWDZBQOSA-N 0 0 429.477 -0.655 20 30 IBEDRN C=CC[C@@H](NC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1)c1ccncc1 ZINC000805813081 1073880145 /nfs/dbraw/zinc/88/01/45/1073880145.db2.gz CYHUYTCLDWGCBF-QGZVFWFLSA-N 0 0 429.477 -0.655 20 30 IBEDRN C=CC[C@H](NC(=O)C(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1)c1ccncc1 ZINC000805815926 1073880282 /nfs/dbraw/zinc/88/02/82/1073880282.db2.gz SHGVDQSWFMELDB-HNNXBMFYSA-N 0 0 427.465 -0.696 20 30 IBEDRN C=CC[C@@H](NC(=O)C(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1)c1ccncc1 ZINC000805815927 1073880397 /nfs/dbraw/zinc/88/03/97/1073880397.db2.gz SHGVDQSWFMELDB-OAHLLOKOSA-N 0 0 427.465 -0.696 20 30 IBEDRN N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)OCCn3cc(C(N)=O)nn3)CC2)cc1 ZINC000805940841 1073880870 /nfs/dbraw/zinc/88/08/70/1073880870.db2.gz FESVLNJLJSGULV-UHFFFAOYSA-N 0 0 432.462 -0.107 20 30 IBEDRN C[C@H](OC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C(=O)NCCN1CCOCC1 ZINC000805969203 1073882863 /nfs/dbraw/zinc/88/28/63/1073882863.db2.gz LSWJAXBLXNIJAJ-HNNXBMFYSA-N 0 0 438.506 -0.128 20 30 IBEDRN C[C@@H](OC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C(=O)NCCN1CCOCC1 ZINC000805969204 1074072804 /nfs/dbraw/zinc/07/28/04/1074072804.db2.gz LSWJAXBLXNIJAJ-OAHLLOKOSA-N 0 0 438.506 -0.128 20 30 IBEDRN C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)O[C@@H](C)C(=O)NCCN1CCOCC1 ZINC000805975515 1073883655 /nfs/dbraw/zinc/88/36/55/1073883655.db2.gz RFLFNMBRLYWIGJ-CABCVRRESA-N 0 0 438.506 -0.395 20 30 IBEDRN C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)O[C@@H](C)C(=O)NCCN1CCOCC1 ZINC000805975516 1073883613 /nfs/dbraw/zinc/88/36/13/1073883613.db2.gz RFLFNMBRLYWIGJ-GJZGRUSLSA-N 0 0 438.506 -0.395 20 30 IBEDRN C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)O[C@H](C)C(=O)NCCN1CCOCC1 ZINC000805975517 1073883540 /nfs/dbraw/zinc/88/35/40/1073883540.db2.gz RFLFNMBRLYWIGJ-HUUCEWRRSA-N 0 0 438.506 -0.395 20 30 IBEDRN C[C@@H](OC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCN1CCOCC1 ZINC000805975518 1073883669 /nfs/dbraw/zinc/88/36/69/1073883669.db2.gz RFLFNMBRLYWIGJ-LSDHHAIUSA-N 0 0 438.506 -0.395 20 30 IBEDRN C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)O[C@@H](C)C(=O)NCCN1CCOCC1 ZINC000805975984 1073883602 /nfs/dbraw/zinc/88/36/02/1073883602.db2.gz WSYKHGOSIPZFDG-CABCVRRESA-N 0 0 438.506 -0.395 20 30 IBEDRN C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)O[C@@H](C)C(=O)NCCN1CCOCC1 ZINC000805975985 1073883576 /nfs/dbraw/zinc/88/35/76/1073883576.db2.gz WSYKHGOSIPZFDG-GJZGRUSLSA-N 0 0 438.506 -0.395 20 30 IBEDRN C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)O[C@H](C)C(=O)NCCN1CCOCC1 ZINC000805975986 1073883708 /nfs/dbraw/zinc/88/37/08/1073883708.db2.gz WSYKHGOSIPZFDG-HUUCEWRRSA-N 0 0 438.506 -0.395 20 30 IBEDRN C[C@@H](OC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCN1CCOCC1 ZINC000805975987 1073883762 /nfs/dbraw/zinc/88/37/62/1073883762.db2.gz WSYKHGOSIPZFDG-LSDHHAIUSA-N 0 0 438.506 -0.395 20 30 IBEDRN C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)n1 ZINC000806034577 1074077941 /nfs/dbraw/zinc/07/79/41/1074077941.db2.gz FZSOEKFTPGQIAH-MRXNPFEDSA-N 0 0 426.543 -0.055 20 30 IBEDRN C#C[C@@H](NC(=O)C(=O)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1)[C@H]1CCCO1 ZINC000806101391 1073886208 /nfs/dbraw/zinc/88/62/08/1073886208.db2.gz WFMDGHZEDRKWOP-CHWSQXEVSA-N 0 0 425.429 -0.039 20 30 IBEDRN C#C[C@@H](NC(=O)C(=O)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1)[C@@H]1CCCO1 ZINC000806101392 1073886223 /nfs/dbraw/zinc/88/62/23/1073886223.db2.gz WFMDGHZEDRKWOP-OLZOCXBDSA-N 0 0 425.429 -0.039 20 30 IBEDRN C#C[C@H](NC(=O)C(=O)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1)[C@H]1CCCO1 ZINC000806101393 1073886263 /nfs/dbraw/zinc/88/62/63/1073886263.db2.gz WFMDGHZEDRKWOP-QWHCGFSZSA-N 0 0 425.429 -0.039 20 30 IBEDRN C#C[C@H](NC(=O)C(=O)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1)[C@@H]1CCCO1 ZINC000806101394 1073886197 /nfs/dbraw/zinc/88/61/97/1073886197.db2.gz WFMDGHZEDRKWOP-STQMWFEESA-N 0 0 425.429 -0.039 20 30 IBEDRN C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@H]2CCN(CC(F)(F)F)C2=O)n1 ZINC000806186009 1073888181 /nfs/dbraw/zinc/88/81/81/1073888181.db2.gz DAXDWMNEJAZMOL-AWEZNQCLSA-N 0 0 429.399 -0.229 20 30 IBEDRN C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@@H]2CCN(CC(F)(F)F)C2=O)n1 ZINC000806186010 1073888160 /nfs/dbraw/zinc/88/81/60/1073888160.db2.gz DAXDWMNEJAZMOL-CQSZACIVSA-N 0 0 429.399 -0.229 20 30 IBEDRN CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)NCCOCCS(N)(=O)=O)c1 ZINC000806217756 1073889190 /nfs/dbraw/zinc/88/91/90/1073889190.db2.gz MEKSQDLATSMRPM-HKWRFOASSA-N 0 0 447.539 -0.074 20 30 IBEDRN CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)NCCOCCS(N)(=O)=O)c1 ZINC000806217757 1073889174 /nfs/dbraw/zinc/88/91/74/1073889174.db2.gz MEKSQDLATSMRPM-HMMYKYKNSA-N 0 0 447.539 -0.074 20 30 IBEDRN CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)NCCOCCS(N)(=O)=O)cc1 ZINC000806219400 1073889581 /nfs/dbraw/zinc/88/95/81/1073889581.db2.gz JIAWKMIZWQKHTF-HKWRFOASSA-N 0 0 447.539 -0.074 20 30 IBEDRN CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)NCCOCCS(N)(=O)=O)cc1 ZINC000806219401 1073889393 /nfs/dbraw/zinc/88/93/93/1073889393.db2.gz JIAWKMIZWQKHTF-HMMYKYKNSA-N 0 0 447.539 -0.074 20 30 IBEDRN C#C[C@H](NC(=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1)[C@@H]1CCCO1 ZINC000806269440 1073890759 /nfs/dbraw/zinc/89/07/59/1073890759.db2.gz FIMPWJCDDSOZDT-BZSNNMDCSA-N 0 0 442.520 -0.305 20 30 IBEDRN C#C[C@H](NC(=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1)[C@H]1CCCO1 ZINC000806269445 1073890886 /nfs/dbraw/zinc/89/08/86/1073890886.db2.gz FIMPWJCDDSOZDT-FGTMMUONSA-N 0 0 442.520 -0.305 20 30 IBEDRN C#C[C@H](NC(=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1)[C@H]1CCCO1 ZINC000806269447 1073890699 /nfs/dbraw/zinc/89/06/99/1073890699.db2.gz FIMPWJCDDSOZDT-OKZBNKHCSA-N 0 0 442.520 -0.305 20 30 IBEDRN C#C[C@H](NC(=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1)[C@@H]1CCCO1 ZINC000806269449 1073890955 /nfs/dbraw/zinc/89/09/55/1073890955.db2.gz FIMPWJCDDSOZDT-SQNIBIBYSA-N 0 0 442.520 -0.305 20 30 IBEDRN C#C[C@@H](NC(=O)C(=O)NCc1ccccc1S(=O)(=O)N1CCN(C)CC1)[C@@H]1CCCO1 ZINC000806412281 1073893159 /nfs/dbraw/zinc/89/31/59/1073893159.db2.gz OZSJOJRYDSZAGV-MSOLQXFVSA-N 0 0 448.545 -0.464 20 30 IBEDRN C#C[C@@H](NC(=O)C(=O)NCc1ccccc1S(=O)(=O)N1CCN(C)CC1)[C@H]1CCCO1 ZINC000806412282 1073892999 /nfs/dbraw/zinc/89/29/99/1073892999.db2.gz OZSJOJRYDSZAGV-QZTJIDSGSA-N 0 0 448.545 -0.464 20 30 IBEDRN C#C[C@H](NC(=O)C(=O)NCc1ccccc1S(=O)(=O)N1CCN(C)CC1)[C@@H]1CCCO1 ZINC000806412283 1073893087 /nfs/dbraw/zinc/89/30/87/1073893087.db2.gz OZSJOJRYDSZAGV-ROUUACIJSA-N 0 0 448.545 -0.464 20 30 IBEDRN C#C[C@H](NC(=O)C(=O)NCc1ccccc1S(=O)(=O)N1CCN(C)CC1)[C@H]1CCCO1 ZINC000806412284 1073893128 /nfs/dbraw/zinc/89/31/28/1073893128.db2.gz OZSJOJRYDSZAGV-ZWKOTPCHSA-N 0 0 448.545 -0.464 20 30 IBEDRN C#CCC(CC#C)C(=O)NCCS(=O)(=O)N1CCN(C(=O)C(CC#C)CC#C)CC1 ZINC000806539613 1073894824 /nfs/dbraw/zinc/89/48/24/1073894824.db2.gz TXGAHCGXHGNFGQ-UHFFFAOYSA-N 0 0 429.542 -0.098 20 30 IBEDRN CN(C)S(=O)(=O)C[C@H](NC(=O)NCCNC(=O)C1N=CC=CC1=O)C(F)(F)F ZINC000806568092 1073895399 /nfs/dbraw/zinc/89/53/99/1073895399.db2.gz QQVKQGKVUMHIHL-IUZMTQGWSA-N 0 0 427.405 -0.366 20 30 IBEDRN CN(C)S(=O)(=O)C[C@H](NC(=O)NCCNC(=O)C1N=CC=CC1=O)C(F)(F)F ZINC000806568093 1073895309 /nfs/dbraw/zinc/89/53/09/1073895309.db2.gz QQVKQGKVUMHIHL-OQDIYGIBSA-N 0 0 427.405 -0.366 20 30 IBEDRN CN(C)S(=O)(=O)C[C@@H](NC(=O)NCCNC(=O)C1N=CC=CC1=O)C(F)(F)F ZINC000806568095 1073895292 /nfs/dbraw/zinc/89/52/92/1073895292.db2.gz QQVKQGKVUMHIHL-PJSNMCHCSA-N 0 0 427.405 -0.366 20 30 IBEDRN CN(C)S(=O)(=O)C[C@@H](NC(=O)NCCNC(=O)C1N=CC=CC1=O)C(F)(F)F ZINC000806568097 1073895424 /nfs/dbraw/zinc/89/54/24/1073895424.db2.gz QQVKQGKVUMHIHL-ZOAHYWAASA-N 0 0 427.405 -0.366 20 30 IBEDRN COc1ccc(C=c2sc(=C(C#N)C#N)n(CCNS(C)(=O)=O)c2=O)c(C)c1OC ZINC000806610853 1073895189 /nfs/dbraw/zinc/89/51/89/1073895189.db2.gz ALGQPXYYAQUXBB-UHFFFAOYSA-N 0 0 448.526 -0.189 20 30 IBEDRN N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)NC[C@@H]3COC4(CCOCC4)O3)C2=O)cc1 ZINC000806708711 1073897878 /nfs/dbraw/zinc/89/78/78/1073897878.db2.gz QZSVYLUBWBFIEK-MSOLQXFVSA-N 0 0 442.472 -0.186 20 30 IBEDRN N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)NC[C@@H]3COC4(CCOCC4)O3)C2=O)cc1 ZINC000806708712 1073898003 /nfs/dbraw/zinc/89/80/03/1073898003.db2.gz QZSVYLUBWBFIEK-QZTJIDSGSA-N 0 0 442.472 -0.186 20 30 IBEDRN N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)NC[C@H]3COC4(CCOCC4)O3)C2=O)cc1 ZINC000806708713 1073897955 /nfs/dbraw/zinc/89/79/55/1073897955.db2.gz QZSVYLUBWBFIEK-ROUUACIJSA-N 0 0 442.472 -0.186 20 30 IBEDRN N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)NC[C@H]3COC4(CCOCC4)O3)C2=O)cc1 ZINC000806708714 1073897912 /nfs/dbraw/zinc/89/79/12/1073897912.db2.gz QZSVYLUBWBFIEK-ZWKOTPCHSA-N 0 0 442.472 -0.186 20 30 IBEDRN Cc1nn(C)c(N2CCN(C(=O)C(=O)NC[C@H]3COC4(CCOCC4)O3)CC2)c1C#N ZINC000806715768 1073899509 /nfs/dbraw/zinc/89/95/09/1073899509.db2.gz BDCDEHDGBJWHQV-HNNXBMFYSA-N 0 0 432.481 -0.713 20 30 IBEDRN Cc1nn(C)c(N2CCN(C(=O)C(=O)NC[C@@H]3COC4(CCOCC4)O3)CC2)c1C#N ZINC000806715769 1073899646 /nfs/dbraw/zinc/89/96/46/1073899646.db2.gz BDCDEHDGBJWHQV-OAHLLOKOSA-N 0 0 432.481 -0.713 20 30 IBEDRN COCCNC(=O)[C@H](C)OC(=O)c1ccc(NC(=O)C(=O)N2CCO[C@@H](C#N)C2)cc1 ZINC000806889593 1073904355 /nfs/dbraw/zinc/90/43/55/1073904355.db2.gz AFVONYLSSDTXGY-BBRMVZONSA-N 0 0 432.433 -0.316 20 30 IBEDRN COCCNC(=O)[C@@H](C)OC(=O)c1ccc(NC(=O)C(=O)N2CCO[C@@H](C#N)C2)cc1 ZINC000806889594 1073904977 /nfs/dbraw/zinc/90/49/77/1073904977.db2.gz AFVONYLSSDTXGY-CJNGLKHVSA-N 0 0 432.433 -0.316 20 30 IBEDRN COCCNC(=O)[C@@H](C)OC(=O)c1ccc(NC(=O)C(=O)N2CCO[C@H](C#N)C2)cc1 ZINC000806889595 1073904969 /nfs/dbraw/zinc/90/49/69/1073904969.db2.gz AFVONYLSSDTXGY-CZUORRHYSA-N 0 0 432.433 -0.316 20 30 IBEDRN COCCNC(=O)[C@H](C)OC(=O)c1ccc(NC(=O)C(=O)N2CCO[C@H](C#N)C2)cc1 ZINC000806889596 1073904934 /nfs/dbraw/zinc/90/49/34/1073904934.db2.gz AFVONYLSSDTXGY-XJKSGUPXSA-N 0 0 432.433 -0.316 20 30 IBEDRN C#CCCCNC(=O)C(=O)N1CC(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000806913573 1073906253 /nfs/dbraw/zinc/90/62/53/1073906253.db2.gz ZQKKIKGSXFHBSM-UHFFFAOYSA-N 0 0 442.538 -0.391 20 30 IBEDRN C#CCCCNC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000806916759 1073906358 /nfs/dbraw/zinc/90/63/58/1073906358.db2.gz BIYOGDCCCSJTLU-UHFFFAOYSA-N 0 0 438.462 -0.034 20 30 IBEDRN C=CCS(=O)(=O)CCNC(=O)C(=O)N1C[C@@H](C[C@H]2COCC(=O)N2)c2ccccc21 ZINC000806967435 1073906506 /nfs/dbraw/zinc/90/65/06/1073906506.db2.gz LPBQIHCPYIOUMR-CABCVRRESA-N 0 0 435.502 -0.261 20 30 IBEDRN C=CCS(=O)(=O)CCNC(=O)C(=O)N1C[C@H](C[C@H]2COCC(=O)N2)c2ccccc21 ZINC000806967436 1073906434 /nfs/dbraw/zinc/90/64/34/1073906434.db2.gz LPBQIHCPYIOUMR-GJZGRUSLSA-N 0 0 435.502 -0.261 20 30 IBEDRN C=CCS(=O)(=O)CCNC(=O)C(=O)N1C[C@@H](C[C@@H]2COCC(=O)N2)c2ccccc21 ZINC000806967437 1073906188 /nfs/dbraw/zinc/90/61/88/1073906188.db2.gz LPBQIHCPYIOUMR-HUUCEWRRSA-N 0 0 435.502 -0.261 20 30 IBEDRN C=CCS(=O)(=O)CCNC(=O)C(=O)N1C[C@H](C[C@@H]2COCC(=O)N2)c2ccccc21 ZINC000806967438 1073906540 /nfs/dbraw/zinc/90/65/40/1073906540.db2.gz LPBQIHCPYIOUMR-LSDHHAIUSA-N 0 0 435.502 -0.261 20 30 IBEDRN C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)n1 ZINC000807214777 1073913254 /nfs/dbraw/zinc/91/32/54/1073913254.db2.gz OYHUUGJBQSKRJP-KRWDZBQOSA-N 0 0 427.465 -0.854 20 30 IBEDRN C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)n1 ZINC000807214781 1073913292 /nfs/dbraw/zinc/91/32/92/1073913292.db2.gz OYHUUGJBQSKRJP-QGZVFWFLSA-N 0 0 427.465 -0.854 20 30 IBEDRN COC(=O)CN1CCN(c2ccc(NC(=O)C(=O)NCCn3cnc(C#N)n3)cc2)CC1 ZINC000807366720 1073916361 /nfs/dbraw/zinc/91/63/61/1073916361.db2.gz HMPYGTJOVDSAGX-UHFFFAOYSA-N 0 0 440.464 -0.800 20 30 IBEDRN CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCCn2cnc(C#N)n2)c1 ZINC000807367205 1073916415 /nfs/dbraw/zinc/91/64/15/1073916415.db2.gz NOPVBXYYZXLAGH-JLPGSUDCSA-N 0 0 444.477 -0.283 20 30 IBEDRN CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCCn2cnc(C#N)n2)c1 ZINC000807367206 1073916398 /nfs/dbraw/zinc/91/63/98/1073916398.db2.gz NOPVBXYYZXLAGH-LFVJCYFKSA-N 0 0 444.477 -0.283 20 30 IBEDRN CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NCCn2cnc(C#N)n2)cc1 ZINC000807367517 1073916385 /nfs/dbraw/zinc/91/63/85/1073916385.db2.gz WCAWJDILNQZXBQ-JLPGSUDCSA-N 0 0 444.477 -0.283 20 30 IBEDRN CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NCCn2cnc(C#N)n2)cc1 ZINC000807367518 1073916471 /nfs/dbraw/zinc/91/64/71/1073916471.db2.gz WCAWJDILNQZXBQ-LFVJCYFKSA-N 0 0 444.477 -0.283 20 30 IBEDRN CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCC(=O)NCC#N)c1 ZINC000807401220 1073917085 /nfs/dbraw/zinc/91/70/85/1073917085.db2.gz KFDKRUROOHHBBX-JLPGSUDCSA-N 0 0 448.505 -0.026 20 30 IBEDRN CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCC(=O)NCC#N)c1 ZINC000807401221 1073917029 /nfs/dbraw/zinc/91/70/29/1073917029.db2.gz KFDKRUROOHHBBX-LFVJCYFKSA-N 0 0 448.505 -0.026 20 30 IBEDRN CN1CCN(c2ccc(NC(=O)C(=O)NCC(=O)NCC#N)cc2Br)CC1 ZINC000807401433 1073917116 /nfs/dbraw/zinc/91/71/16/1073917116.db2.gz OLGBJHZUXZOQKN-UHFFFAOYSA-N 0 0 437.298 -0.105 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CCN(c3ccc(C)cc3)C2=O)CC1 ZINC000807587482 1073920576 /nfs/dbraw/zinc/92/05/76/1073920576.db2.gz HQRRBDBOZKSZAD-GOSISDBHSA-N 0 0 427.505 -0.337 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H]2CCN(c3ccc(C)cc3)C2=O)CC1 ZINC000807587511 1073920544 /nfs/dbraw/zinc/92/05/44/1073920544.db2.gz HQRRBDBOZKSZAD-SFHVURJKSA-N 0 0 427.505 -0.337 20 30 IBEDRN C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@H]2CCCN(c3ccn(C)n3)C2=O)n1 ZINC000807657812 1073923587 /nfs/dbraw/zinc/92/35/87/1073923587.db2.gz ZZEADBITWYGACP-KRWDZBQOSA-N 0 0 441.492 -0.463 20 30 IBEDRN C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@@H]2CCCN(c3ccn(C)n3)C2=O)n1 ZINC000807657815 1073923579 /nfs/dbraw/zinc/92/35/79/1073923579.db2.gz ZZEADBITWYGACP-QGZVFWFLSA-N 0 0 441.492 -0.463 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)NCC(C)(C)NC(=O)OC(C)(C)C)CC1 ZINC000807666372 1073921092 /nfs/dbraw/zinc/92/10/92/1073921092.db2.gz KGKHNXJYVNWWHQ-UHFFFAOYSA-N 0 0 425.530 -0.148 20 30 IBEDRN C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@H]2CCN(c3cc(C)nn3C)C2=O)n1 ZINC000807768847 1073929100 /nfs/dbraw/zinc/92/91/00/1073929100.db2.gz PSHSKLLBHFOULU-KRWDZBQOSA-N 0 0 441.492 -0.545 20 30 IBEDRN C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@@H]2CCN(c3cc(C)nn3C)C2=O)n1 ZINC000807768848 1073929221 /nfs/dbraw/zinc/92/92/21/1073929221.db2.gz PSHSKLLBHFOULU-QGZVFWFLSA-N 0 0 441.492 -0.545 20 30 IBEDRN N#Cc1ccc(NCCNC(=O)C(=O)NC2CCN(S(=O)(=O)C(F)(F)F)CC2)nc1 ZINC000807783236 1073926921 /nfs/dbraw/zinc/92/69/21/1073926921.db2.gz JKDQYMRGXIMTSM-UHFFFAOYSA-N 0 0 448.427 -0.088 20 30 IBEDRN C=CCN1CC[C@@H](N(C)C(=O)C(=O)NC2CCN(S(=O)(=O)C(F)(F)F)CC2)C1=O ZINC000807785340 1073928099 /nfs/dbraw/zinc/92/80/99/1073928099.db2.gz TZIRRRFNGRRMFS-GFCCVEGCSA-N 0 0 440.444 -0.338 20 30 IBEDRN C=CCN1CC[C@H](N(C)C(=O)C(=O)NC2CCN(S(=O)(=O)C(F)(F)F)CC2)C1=O ZINC000807785342 1073928014 /nfs/dbraw/zinc/92/80/14/1073928014.db2.gz TZIRRRFNGRRMFS-LBPRGKRZSA-N 0 0 440.444 -0.338 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H](C)C2CCN(C(=O)OCC)CC2)CC1 ZINC000807827967 1073931676 /nfs/dbraw/zinc/93/16/76/1073931676.db2.gz FIRZDNCZQIRBEE-INIZCTEOSA-N 0 0 437.541 -0.194 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H](C)C2CCN(C(=O)OCC)CC2)CC1 ZINC000807827970 1073931808 /nfs/dbraw/zinc/93/18/08/1073931808.db2.gz FIRZDNCZQIRBEE-MRXNPFEDSA-N 0 0 437.541 -0.194 20 30 IBEDRN CN(C)c1c(C=NNc2ccc(S(=O)(=O)N3CCCC3)cn2)c(=O)n(C)c(=O)n1C ZINC000807962245 1073934073 /nfs/dbraw/zinc/93/40/73/1073934073.db2.gz HDTOPZVHCWKBBY-UHFFFAOYSA-N 0 0 435.510 -0.225 20 30 IBEDRN C=CCNS(=O)(=O)c1cc(C(=O)N2CCC(NS(=O)(=O)NC)CC2)ccc1F ZINC000807972348 1073934032 /nfs/dbraw/zinc/93/40/32/1073934032.db2.gz CBEUIFBMCCJZEU-UHFFFAOYSA-N 0 0 434.515 -0.052 20 30 IBEDRN CCOC(=O)c1ccc(S(=O)(=O)NN=Cc2c(=O)n(C)c(=O)n(C)c2N(C)C)cc1 ZINC000807978101 1073934000 /nfs/dbraw/zinc/93/40/00/1073934000.db2.gz KBSHRWHCGIEAEO-UHFFFAOYSA-N 0 0 437.478 -0.361 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H](C)[C@@H]2CCCN(C(=O)OCC)C2)CC1 ZINC000808040463 1073935676 /nfs/dbraw/zinc/93/56/76/1073935676.db2.gz OYRDJMCVUGQTAK-DLBZAZTESA-N 0 0 437.541 -0.194 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H](C)[C@@H]2CCCN(C(=O)OCC)C2)CC1 ZINC000808040464 1073935669 /nfs/dbraw/zinc/93/56/69/1073935669.db2.gz OYRDJMCVUGQTAK-IAGOWNOFSA-N 0 0 437.541 -0.194 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H](C)[C@H]2CCCN(C(=O)OCC)C2)CC1 ZINC000808040465 1073935660 /nfs/dbraw/zinc/93/56/60/1073935660.db2.gz OYRDJMCVUGQTAK-IRXDYDNUSA-N 0 0 437.541 -0.194 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H](C)[C@H]2CCCN(C(=O)OCC)C2)CC1 ZINC000808040466 1073935701 /nfs/dbraw/zinc/93/57/01/1073935701.db2.gz OYRDJMCVUGQTAK-SJORKVTESA-N 0 0 437.541 -0.194 20 30 IBEDRN CN(C)S(=O)(=O)NCCNC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 ZINC000808110275 1073938586 /nfs/dbraw/zinc/93/85/86/1073938586.db2.gz GBFCESMLGKWEQB-UHFFFAOYSA-N 0 0 445.567 -0.202 20 30 IBEDRN CNC(=O)C(C#N)=c1sc(=Cc2ccc(COCCOC)cc2)c(=O)n1CCOC ZINC000808131191 1073939321 /nfs/dbraw/zinc/93/93/21/1073939321.db2.gz PYZCRLFHHYIVCC-UHFFFAOYSA-N 0 0 431.514 -0.032 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H]2CCCN(Cc3ccccc3)C2=O)CC1 ZINC000808222330 1073940935 /nfs/dbraw/zinc/94/09/35/1073940935.db2.gz VZMKLKQALOECFO-IBGZPJMESA-N 0 0 441.532 -0.260 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2=O)CC1 ZINC000808222335 1073941011 /nfs/dbraw/zinc/94/10/11/1073941011.db2.gz VZMKLKQALOECFO-LJQANCHMSA-N 0 0 441.532 -0.260 20 30 IBEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)c1=O ZINC000808225639 1073941043 /nfs/dbraw/zinc/94/10/43/1073941043.db2.gz UCOZDHUXVHHDMR-HNNXBMFYSA-N 0 0 439.538 -0.705 20 30 IBEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC[C@H](CNS(=O)(=O)C3CC3)C2)c1=O ZINC000808225640 1073940945 /nfs/dbraw/zinc/94/09/45/1073940945.db2.gz UCOZDHUXVHHDMR-OAHLLOKOSA-N 0 0 439.538 -0.705 20 30 IBEDRN CS(=O)(=O)CCN(C(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C1CC1 ZINC000808240737 1073942270 /nfs/dbraw/zinc/94/22/70/1073942270.db2.gz WZXMTDWPIPWLNG-KRWDZBQOSA-N 0 0 432.502 -0.189 20 30 IBEDRN CS(=O)(=O)CCN(C(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C1CC1 ZINC000808240738 1073942337 /nfs/dbraw/zinc/94/23/37/1073942337.db2.gz WZXMTDWPIPWLNG-QGZVFWFLSA-N 0 0 432.502 -0.189 20 30 IBEDRN C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(S(=O)(=O)CCC)cc2)CC1 ZINC000808289749 1073942356 /nfs/dbraw/zinc/94/23/56/1073942356.db2.gz AHOHKAABHDEHRB-UHFFFAOYSA-N 0 0 427.548 -0.074 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)NCC2(NC(=O)OC(C)(C)C)CCC2)CC1 ZINC000808405391 1073945238 /nfs/dbraw/zinc/94/52/38/1073945238.db2.gz FAOLZTXQGAUIQW-UHFFFAOYSA-N 0 0 437.541 -0.004 20 30 IBEDRN COc1ccc(CNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1S(N)(=O)=O ZINC000808444169 1073945878 /nfs/dbraw/zinc/94/58/78/1073945878.db2.gz KSGQUWNUMSBQAE-UHFFFAOYSA-N 0 0 438.487 -0.303 20 30 IBEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)C[C@@H]2CCCC(=O)N2)CC1 ZINC000808688480 1073947479 /nfs/dbraw/zinc/94/74/79/1073947479.db2.gz SGKOWTBHDIQDOT-INIZCTEOSA-N 0 0 448.501 -0.007 20 30 IBEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)C[C@H]2CCCC(=O)N2)CC1 ZINC000808688484 1073947575 /nfs/dbraw/zinc/94/75/75/1073947575.db2.gz SGKOWTBHDIQDOT-MRXNPFEDSA-N 0 0 448.501 -0.007 20 30 IBEDRN Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)NCCNc2ccc(C#N)cn2)s1 ZINC000808841426 1073950412 /nfs/dbraw/zinc/95/04/12/1073950412.db2.gz PFYNGZCGNOKZPO-UHFFFAOYSA-N 0 0 436.519 -0.054 20 30 IBEDRN C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)n1 ZINC000809009661 1073954194 /nfs/dbraw/zinc/95/41/94/1073954194.db2.gz PGIOCVMGVQQCIN-CRAIPNDOSA-N 0 0 441.492 -0.465 20 30 IBEDRN C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)n1 ZINC000809009662 1073954308 /nfs/dbraw/zinc/95/43/08/1073954308.db2.gz PGIOCVMGVQQCIN-MAUKXSAKSA-N 0 0 441.492 -0.465 20 30 IBEDRN C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)n1 ZINC000809009663 1073954310 /nfs/dbraw/zinc/95/43/10/1073954310.db2.gz PGIOCVMGVQQCIN-QAPCUYQASA-N 0 0 441.492 -0.465 20 30 IBEDRN C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)n1 ZINC000809009664 1073954258 /nfs/dbraw/zinc/95/42/58/1073954258.db2.gz PGIOCVMGVQQCIN-YJBOKZPZSA-N 0 0 441.492 -0.465 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)C2(S(=O)(=O)c3ccccc3)CCOCC2)CC1 ZINC000809152657 1073955224 /nfs/dbraw/zinc/95/52/24/1073955224.db2.gz OZXVFAVRFDPTQF-UHFFFAOYSA-N 0 0 433.530 -0.097 20 30 IBEDRN C#C[C@H](NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1)[C@H]1CCCO1 ZINC000809303707 1073957388 /nfs/dbraw/zinc/95/73/88/1073957388.db2.gz ABWQXTHWWCZXRR-DLBZAZTESA-N 0 0 428.493 -0.741 20 30 IBEDRN C#C[C@@H](NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1)[C@H]1CCCO1 ZINC000809303708 1073957263 /nfs/dbraw/zinc/95/72/63/1073957263.db2.gz ABWQXTHWWCZXRR-IAGOWNOFSA-N 0 0 428.493 -0.741 20 30 IBEDRN C#C[C@H](NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1)[C@@H]1CCCO1 ZINC000809303709 1073957299 /nfs/dbraw/zinc/95/72/99/1073957299.db2.gz ABWQXTHWWCZXRR-IRXDYDNUSA-N 0 0 428.493 -0.741 20 30 IBEDRN C#C[C@@H](NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1)[C@@H]1CCCO1 ZINC000809303710 1073957357 /nfs/dbraw/zinc/95/73/57/1073957357.db2.gz ABWQXTHWWCZXRR-SJORKVTESA-N 0 0 428.493 -0.741 20 30 IBEDRN C#C[C@@H](NC(=O)C(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1)[C@@H]1CCCO1 ZINC000809304360 1073957840 /nfs/dbraw/zinc/95/78/40/1073957840.db2.gz ITLUGGALFJTXHZ-CVEARBPZSA-N 0 0 429.502 -0.303 20 30 IBEDRN C#C[C@H](NC(=O)C(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1)[C@@H]1CCCO1 ZINC000809304361 1073957771 /nfs/dbraw/zinc/95/77/71/1073957771.db2.gz ITLUGGALFJTXHZ-HOTGVXAUSA-N 0 0 429.502 -0.303 20 30 IBEDRN C#C[C@@H](NC(=O)C(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1)[C@H]1CCCO1 ZINC000809304362 1073957767 /nfs/dbraw/zinc/95/77/67/1073957767.db2.gz ITLUGGALFJTXHZ-HZPDHXFCSA-N 0 0 429.502 -0.303 20 30 IBEDRN C#C[C@H](NC(=O)C(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1)[C@H]1CCCO1 ZINC000809304363 1073957790 /nfs/dbraw/zinc/95/77/90/1073957790.db2.gz ITLUGGALFJTXHZ-JKSUJKDBSA-N 0 0 429.502 -0.303 20 30 IBEDRN C#C[C@H](NC(=O)C(=O)N1CCN(S(=O)(=O)N(CCC)CCC)CC1)[C@H]1CCCO1 ZINC000809304368 1073957750 /nfs/dbraw/zinc/95/77/50/1073957750.db2.gz IVDZOCYLVSMIFC-DLBZAZTESA-N 0 0 428.555 -0.206 20 30 IBEDRN C#C[C@@H](NC(=O)C(=O)N1CCN(S(=O)(=O)N(CCC)CCC)CC1)[C@H]1CCCO1 ZINC000809304369 1073957805 /nfs/dbraw/zinc/95/78/05/1073957805.db2.gz IVDZOCYLVSMIFC-IAGOWNOFSA-N 0 0 428.555 -0.206 20 30 IBEDRN C#C[C@H](NC(=O)C(=O)N1CCN(S(=O)(=O)N(CCC)CCC)CC1)[C@@H]1CCCO1 ZINC000809304370 1073957814 /nfs/dbraw/zinc/95/78/14/1073957814.db2.gz IVDZOCYLVSMIFC-IRXDYDNUSA-N 0 0 428.555 -0.206 20 30 IBEDRN C#C[C@@H](NC(=O)C(=O)N1CCN(S(=O)(=O)N(CCC)CCC)CC1)[C@@H]1CCCO1 ZINC000809304371 1073957830 /nfs/dbraw/zinc/95/78/30/1073957830.db2.gz IVDZOCYLVSMIFC-SJORKVTESA-N 0 0 428.555 -0.206 20 30 IBEDRN C#C[C@@H](NC(=O)C(=O)N1CCN(CCNC(=O)c2ccccc2F)CC1)[C@@H]1CCCO1 ZINC000809304857 1073957352 /nfs/dbraw/zinc/95/73/52/1073957352.db2.gz RQEPGFGQTAJOME-MOPGFXCFSA-N 0 0 430.480 -0.003 20 30 IBEDRN C#C[C@H](NC(=O)C(=O)N1CCN(CCNC(=O)c2ccccc2F)CC1)[C@@H]1CCCO1 ZINC000809304858 1073957245 /nfs/dbraw/zinc/95/72/45/1073957245.db2.gz RQEPGFGQTAJOME-OALUTQOASA-N 0 0 430.480 -0.003 20 30 IBEDRN C#C[C@H](NC(=O)C(=O)N1CCN(CCNC(=O)c2ccccc2F)CC1)[C@H]1CCCO1 ZINC000809304859 1073957381 /nfs/dbraw/zinc/95/73/81/1073957381.db2.gz RQEPGFGQTAJOME-RBUKOAKNSA-N 0 0 430.480 -0.003 20 30 IBEDRN C#C[C@@H](NC(=O)C(=O)N1CCN(CCNC(=O)c2ccccc2F)CC1)[C@H]1CCCO1 ZINC000809304860 1073957335 /nfs/dbraw/zinc/95/73/35/1073957335.db2.gz RQEPGFGQTAJOME-RTBURBONSA-N 0 0 430.480 -0.003 20 30 IBEDRN C#C[C@@H](NC(=O)C(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)[C@@H]1CCCO1 ZINC000809305043 1073957153 /nfs/dbraw/zinc/95/71/53/1073957153.db2.gz VNNMELDOZMEZTF-CVEARBPZSA-N 0 0 430.486 -0.423 20 30 IBEDRN C#C[C@H](NC(=O)C(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)[C@@H]1CCCO1 ZINC000809305044 1073957344 /nfs/dbraw/zinc/95/73/44/1073957344.db2.gz VNNMELDOZMEZTF-HOTGVXAUSA-N 0 0 430.486 -0.423 20 30 IBEDRN C#C[C@@H](NC(=O)C(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)[C@H]1CCCO1 ZINC000809305045 1073957165 /nfs/dbraw/zinc/95/71/65/1073957165.db2.gz VNNMELDOZMEZTF-HZPDHXFCSA-N 0 0 430.486 -0.423 20 30 IBEDRN C#C[C@H](NC(=O)C(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)[C@H]1CCCO1 ZINC000809305046 1073957220 /nfs/dbraw/zinc/95/72/20/1073957220.db2.gz VNNMELDOZMEZTF-JKSUJKDBSA-N 0 0 430.486 -0.423 20 30 IBEDRN C#C[C@@H](NC(=O)C(=O)N1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1)[C@@H]1CCCO1 ZINC000809306231 1073957781 /nfs/dbraw/zinc/95/77/81/1073957781.db2.gz OEMCRVARKWPPGD-MSOLQXFVSA-N 0 0 440.566 -0.063 20 30 IBEDRN C#C[C@@H](NC(=O)C(=O)N1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1)[C@H]1CCCO1 ZINC000809306232 1073957809 /nfs/dbraw/zinc/95/78/09/1073957809.db2.gz OEMCRVARKWPPGD-QZTJIDSGSA-N 0 0 440.566 -0.063 20 30 IBEDRN C#C[C@H](NC(=O)C(=O)N1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1)[C@@H]1CCCO1 ZINC000809306233 1073957832 /nfs/dbraw/zinc/95/78/32/1073957832.db2.gz OEMCRVARKWPPGD-ROUUACIJSA-N 0 0 440.566 -0.063 20 30 IBEDRN C#C[C@H](NC(=O)C(=O)N1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1)[C@H]1CCCO1 ZINC000809306234 1073957801 /nfs/dbraw/zinc/95/78/01/1073957801.db2.gz OEMCRVARKWPPGD-ZWKOTPCHSA-N 0 0 440.566 -0.063 20 30 IBEDRN C#C[C@@H](NC(=O)C(=O)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1)[C@@H]1CCCO1 ZINC000809307004 1073957836 /nfs/dbraw/zinc/95/78/36/1073957836.db2.gz XRZWZSDETAGGCB-CVEARBPZSA-N 0 0 445.501 -0.307 20 30 IBEDRN C#C[C@H](NC(=O)C(=O)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1)[C@@H]1CCCO1 ZINC000809307005 1073957759 /nfs/dbraw/zinc/95/77/59/1073957759.db2.gz XRZWZSDETAGGCB-HOTGVXAUSA-N 0 0 445.501 -0.307 20 30 IBEDRN C#C[C@@H](NC(=O)C(=O)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1)[C@H]1CCCO1 ZINC000809307006 1073957807 /nfs/dbraw/zinc/95/78/07/1073957807.db2.gz XRZWZSDETAGGCB-HZPDHXFCSA-N 0 0 445.501 -0.307 20 30 IBEDRN C#C[C@H](NC(=O)C(=O)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1)[C@H]1CCCO1 ZINC000809307007 1073957821 /nfs/dbraw/zinc/95/78/21/1073957821.db2.gz XRZWZSDETAGGCB-JKSUJKDBSA-N 0 0 445.501 -0.307 20 30 IBEDRN C#C[C@@H](NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1)[C@@H]1CCCO1 ZINC000809309878 1073957825 /nfs/dbraw/zinc/95/78/25/1073957825.db2.gz PKZOUYQDLOHYDL-MSOLQXFVSA-N 0 0 435.502 -0.175 20 30 IBEDRN C#C[C@@H](NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1)[C@H]1CCCO1 ZINC000809309879 1073957775 /nfs/dbraw/zinc/95/77/75/1073957775.db2.gz PKZOUYQDLOHYDL-QZTJIDSGSA-N 0 0 435.502 -0.175 20 30 IBEDRN C#C[C@H](NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1)[C@@H]1CCCO1 ZINC000809309880 1073957797 /nfs/dbraw/zinc/95/77/97/1073957797.db2.gz PKZOUYQDLOHYDL-ROUUACIJSA-N 0 0 435.502 -0.175 20 30 IBEDRN C#C[C@H](NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1)[C@H]1CCCO1 ZINC000809309881 1073957816 /nfs/dbraw/zinc/95/78/16/1073957816.db2.gz PKZOUYQDLOHYDL-ZWKOTPCHSA-N 0 0 435.502 -0.175 20 30 IBEDRN C#C[C@H](NC(=O)C(=O)N1CCN(S(=O)(=O)c2csc(C)n2)CC1)[C@@H]1CCCO1 ZINC000809313256 1073958376 /nfs/dbraw/zinc/95/83/76/1073958376.db2.gz SELLJFZNFIBFKX-KBPBESRZSA-N 0 0 426.520 -0.419 20 30 IBEDRN C#C[C@@H](NC(=O)C(=O)N1CCN(S(=O)(=O)c2csc(C)n2)CC1)[C@@H]1CCCO1 ZINC000809313260 1073958466 /nfs/dbraw/zinc/95/84/66/1073958466.db2.gz SELLJFZNFIBFKX-KGLIPLIRSA-N 0 0 426.520 -0.419 20 30 IBEDRN C#C[C@H](NC(=O)C(=O)N1CCN(S(=O)(=O)c2csc(C)n2)CC1)[C@H]1CCCO1 ZINC000809313262 1073958419 /nfs/dbraw/zinc/95/84/19/1073958419.db2.gz SELLJFZNFIBFKX-UONOGXRCSA-N 0 0 426.520 -0.419 20 30 IBEDRN C#C[C@@H](NC(=O)C(=O)N1CCN(S(=O)(=O)c2csc(C)n2)CC1)[C@H]1CCCO1 ZINC000809313264 1073958364 /nfs/dbraw/zinc/95/83/64/1073958364.db2.gz SELLJFZNFIBFKX-ZIAGYGMSSA-N 0 0 426.520 -0.419 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)NC2CCC(O)(c3cccnc3)CC2)CC1 ZINC000809328594 1073959017 /nfs/dbraw/zinc/95/90/17/1073959017.db2.gz SISGIUIWGMEQCG-UHFFFAOYSA-N 0 0 429.521 -0.226 20 30 IBEDRN C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2ccc(N3CCOC3=O)cc2)CC1 ZINC000809429403 1073959457 /nfs/dbraw/zinc/95/94/57/1073959457.db2.gz SRNYANHYFOWLAA-UHFFFAOYSA-N 0 0 429.477 -0.294 20 30 IBEDRN COc1ccc(CNC(=O)C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)cc1C#N ZINC000809501156 1073961525 /nfs/dbraw/zinc/96/15/25/1073961525.db2.gz CDDXMVRDTYOFAU-UHFFFAOYSA-N 0 0 429.477 -0.814 20 30 IBEDRN COc1ccc(CNC(=O)C(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)cc1C#N ZINC000809501655 1073961578 /nfs/dbraw/zinc/96/15/78/1073961578.db2.gz OOLVXQYVAVFCGD-UHFFFAOYSA-N 0 0 447.473 -0.155 20 30 IBEDRN COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)NCc2ccc(OC)c(C#N)c2)CC1 ZINC000809502666 1073961477 /nfs/dbraw/zinc/96/14/77/1073961477.db2.gz QQPFXTDRZHVQEC-INIZCTEOSA-N 0 0 445.520 -0.132 20 30 IBEDRN COCCCNC(=O)[C@@H](C)N1CCN(C(=O)C(=O)NCc2ccc(OC)c(C#N)c2)CC1 ZINC000809502668 1073961624 /nfs/dbraw/zinc/96/16/24/1073961624.db2.gz QQPFXTDRZHVQEC-MRXNPFEDSA-N 0 0 445.520 -0.132 20 30 IBEDRN COc1ccc(CNC(=O)C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)cc1C#N ZINC000809503631 1073961506 /nfs/dbraw/zinc/96/15/06/1073961506.db2.gz HEKTUIDDMCMBFV-UHFFFAOYSA-N 0 0 429.477 -0.814 20 30 IBEDRN C#CCn1ccc(CN(CCOC)C(=O)C(=O)NC[C@H]2CCCN2S(C)(=O)=O)n1 ZINC000809534824 1073962491 /nfs/dbraw/zinc/96/24/91/1073962491.db2.gz REMXFTQBFVNYKB-MRXNPFEDSA-N 0 0 425.511 -0.969 20 30 IBEDRN CCOC1CC(CNC(=O)C(=O)NCCNc2ccc(C#N)cn2)(N2CCOCC2)C1 ZINC000809811920 1073966212 /nfs/dbraw/zinc/96/62/12/1073966212.db2.gz JPNGUYNUSWUEBO-UHFFFAOYSA-N 0 0 430.509 -0.133 20 30 IBEDRN Cn1cc(/C=C\C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c(=O)n(C)c1=O ZINC000809832508 1073966739 /nfs/dbraw/zinc/96/67/39/1073966739.db2.gz QYYNVBDOEONWQS-YVMONPNESA-N 0 0 443.485 -0.498 20 30 IBEDRN C#CCC[C@H](O)CNS(=O)(=O)c1ccc(S(=O)(=O)NC[C@@H](O)CCC#C)cc1 ZINC000810077055 1073969439 /nfs/dbraw/zinc/96/94/39/1073969439.db2.gz PBGPADCHKZZCIF-HOTGVXAUSA-N 0 0 428.532 -0.208 20 30 IBEDRN C#CCC[C@@H](O)CNS(=O)(=O)c1ccc(S(=O)(=O)NC[C@H](O)CCC#C)cc1 ZINC000810077056 1073969531 /nfs/dbraw/zinc/96/95/31/1073969531.db2.gz PBGPADCHKZZCIF-HZPDHXFCSA-N 0 0 428.532 -0.208 20 30 IBEDRN C#CCC[C@@H](O)CNS(=O)(=O)c1ccc(S(=O)(=O)NC[C@@H](O)CCC#C)cc1 ZINC000810077057 1073969525 /nfs/dbraw/zinc/96/95/25/1073969525.db2.gz PBGPADCHKZZCIF-IYBDPMFKSA-N 0 0 428.532 -0.208 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)CNS(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC000810344316 1073972519 /nfs/dbraw/zinc/97/25/19/1073972519.db2.gz PENGSHKGLGMSTM-UHFFFAOYSA-N 0 0 446.451 -0.123 20 30 IBEDRN C#CCNC(=O)CN1CCCN(C(=O)CNS(=O)(=O)c2ccc(NC(C)=O)cc2)CC1 ZINC000810352062 1073972458 /nfs/dbraw/zinc/97/24/58/1073972458.db2.gz GNBQJDJFLLZIOM-UHFFFAOYSA-N 0 0 449.533 -0.793 20 30 IBEDRN C#CCNC(=O)CN1CCCN(C(=O)CNS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000810352191 1073972549 /nfs/dbraw/zinc/97/25/49/1073972549.db2.gz LVHVMJSNUFGFNM-UHFFFAOYSA-N 0 0 426.926 -0.098 20 30 IBEDRN C#CCNC(=O)CN1CCCN(C(=O)CNS(=O)(=O)c2cccc(C(C)=O)c2)CC1 ZINC000810352566 1073972626 /nfs/dbraw/zinc/97/26/26/1073972626.db2.gz SDZJWEGMIZTAIX-UHFFFAOYSA-N 0 0 434.518 -0.549 20 30 IBEDRN CS(=O)(=O)CCN1CCC(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000810376736 1073973802 /nfs/dbraw/zinc/97/38/02/1073973802.db2.gz QNKUTWOLZGLNMH-UHFFFAOYSA-N 0 0 428.536 -0.538 20 30 IBEDRN CS(=O)(=O)CCN1CCC(NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000810377028 1073973599 /nfs/dbraw/zinc/97/35/99/1073973599.db2.gz UDLJUPJTADZKCV-UHFFFAOYSA-N 0 0 428.536 -0.538 20 30 IBEDRN C#CCN(C(=O)CNS(=O)(=O)c1ccc(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000810647195 1073977054 /nfs/dbraw/zinc/97/70/54/1073977054.db2.gz DHAILMAUXADHOW-CYBMUJFWSA-N 0 0 430.504 -0.369 20 30 IBEDRN C#CCN(C(=O)CNS(=O)(=O)c1ccc(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 ZINC000810647198 1073977100 /nfs/dbraw/zinc/97/71/00/1073977100.db2.gz DHAILMAUXADHOW-ZDUSSCGKSA-N 0 0 430.504 -0.369 20 30 IBEDRN C#CCN(C(=O)CNS(=O)(=O)c1ccc(NC(C)=O)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000810647495 1073977050 /nfs/dbraw/zinc/97/70/50/1073977050.db2.gz JWLKYBCHVNKWAF-HNNXBMFYSA-N 0 0 427.504 -0.428 20 30 IBEDRN C#CCN(C(=O)CNS(=O)(=O)c1ccc(NC(C)=O)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000810647498 1073977023 /nfs/dbraw/zinc/97/70/23/1073977023.db2.gz JWLKYBCHVNKWAF-OAHLLOKOSA-N 0 0 427.504 -0.428 20 30 IBEDRN COC(=O)[C@@H](NC(=O)COC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)C(C)C ZINC000811031219 1073980612 /nfs/dbraw/zinc/98/06/12/1073980612.db2.gz NDULEMABLBPNFE-INIZCTEOSA-N 0 0 425.463 -0.028 20 30 IBEDRN C#CCNS(=O)(=O)c1cccc(C(=O)O[C@@H]2COC[C@H]2n2cc(C(=O)OC)nn2)c1 ZINC000811182342 1073983826 /nfs/dbraw/zinc/98/38/26/1073983826.db2.gz YTGDHXZXOXEQIM-HZPDHXFCSA-N 0 0 434.430 -0.227 20 30 IBEDRN COC(=O)c1cn([C@@H]2COC[C@H]2OC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)nn1 ZINC000811182853 1073983223 /nfs/dbraw/zinc/98/32/23/1073983223.db2.gz DAIGTHCSKJDERI-HFBAOOFYSA-N 0 0 449.445 -0.214 20 30 IBEDRN COC(=O)c1cn([C@@H]2COC[C@H]2OC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)nn1 ZINC000811182854 1073983414 /nfs/dbraw/zinc/98/34/14/1073983414.db2.gz DAIGTHCSKJDERI-IUIKQTSFSA-N 0 0 449.445 -0.214 20 30 IBEDRN C#CCNS(=O)(=O)c1ccc(C(=O)O[C@@H]2COC[C@H]2n2cc(C(=O)OC)nn2)cc1 ZINC000811182918 1073983290 /nfs/dbraw/zinc/98/32/90/1073983290.db2.gz RJZRWQVIUDKPOE-HZPDHXFCSA-N 0 0 434.430 -0.227 20 30 IBEDRN COC(=O)c1cn([C@@H]2COC[C@H]2OC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)nn1 ZINC000811183029 1073983444 /nfs/dbraw/zinc/98/34/44/1073983444.db2.gz HDEWEPWDPMHLBU-HFBAOOFYSA-N 0 0 449.445 -0.214 20 30 IBEDRN COC(=O)c1cn([C@@H]2COC[C@H]2OC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)nn1 ZINC000811183030 1073983317 /nfs/dbraw/zinc/98/33/17/1073983317.db2.gz HDEWEPWDPMHLBU-IUIKQTSFSA-N 0 0 449.445 -0.214 20 30 IBEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)Cc2cncnc2)CC1 ZINC000811329819 1073985202 /nfs/dbraw/zinc/98/52/02/1073985202.db2.gz HQKKUWOBXXQAER-UHFFFAOYSA-N 0 0 429.458 -0.033 20 30 IBEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2cc3n(n2)CCO3)CC1 ZINC000811351250 1073985682 /nfs/dbraw/zinc/98/56/82/1073985682.db2.gz IIOPPXPYBNSPSM-UHFFFAOYSA-N 0 0 445.457 -0.163 20 30 IBEDRN C[C@@H](OC(=O)CN=C1NS(=O)(=O)c2ccccc21)C(=O)Nc1ncnc2[nH]cnc21 ZINC000811544358 1073987190 /nfs/dbraw/zinc/98/71/90/1073987190.db2.gz WNPJLERJNZWKLU-SECBINFHSA-N 0 0 429.418 -0.038 20 30 IBEDRN C[C@H](OC(=O)CN=C1NS(=O)(=O)c2ccccc21)C(=O)Nc1ncnc2[nH]cnc21 ZINC000811544366 1073987256 /nfs/dbraw/zinc/98/72/56/1073987256.db2.gz WNPJLERJNZWKLU-VIFPVBQESA-N 0 0 429.418 -0.038 20 30 IBEDRN C=CCNC(=O)NC(=O)COC(=O)[C@@H](C)NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000811680849 1073989031 /nfs/dbraw/zinc/98/90/31/1073989031.db2.gz QNOHTHOYYAKCFU-GFCCVEGCSA-N 0 0 440.478 -0.390 20 30 IBEDRN C=CCNC(=O)NC(=O)COC(=O)[C@H](C)NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000811680850 1073988932 /nfs/dbraw/zinc/98/89/32/1073988932.db2.gz QNOHTHOYYAKCFU-LBPRGKRZSA-N 0 0 440.478 -0.390 20 30 IBEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(c3snc(C)c3C#N)CC2)c1=O ZINC000811785920 1073990544 /nfs/dbraw/zinc/99/05/44/1073990544.db2.gz LVZNNVHWYXAKRG-UHFFFAOYSA-N 0 0 429.506 -0.040 20 30 IBEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC[C@H](CNC(=O)C(F)(F)F)C2)c1=O ZINC000811786129 1073990455 /nfs/dbraw/zinc/99/04/55/1073990455.db2.gz MBIMBLOXTLNCCZ-CYBMUJFWSA-N 0 0 431.415 -0.108 20 30 IBEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC[C@@H](CNC(=O)C(F)(F)F)C2)c1=O ZINC000811786130 1073990491 /nfs/dbraw/zinc/99/04/91/1073990491.db2.gz MBIMBLOXTLNCCZ-ZDUSSCGKSA-N 0 0 431.415 -0.108 20 30 IBEDRN C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)N(CC)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000811832021 1073991189 /nfs/dbraw/zinc/99/11/89/1073991189.db2.gz UONZHUWEFDXNQW-HNNXBMFYSA-N 0 0 442.515 -0.210 20 30 IBEDRN C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)N(CC)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000811832022 1073991083 /nfs/dbraw/zinc/99/10/83/1073991083.db2.gz UONZHUWEFDXNQW-OAHLLOKOSA-N 0 0 442.515 -0.210 20 30 IBEDRN C#CCNS(=O)(=O)c1ccc(C(=O)OCCn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000811832796 1073991154 /nfs/dbraw/zinc/99/11/54/1073991154.db2.gz ZGWLGDVHXCHZHO-UHFFFAOYSA-N 0 0 445.457 -0.798 20 30 IBEDRN C#CCNS(=O)(=O)c1ccc(C(=O)O[C@@H](C)C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000811833463 1073991185 /nfs/dbraw/zinc/99/11/85/1073991185.db2.gz DOFIFOOIAJBUOK-GXTWGEPZSA-N 0 0 428.488 -0.553 20 30 IBEDRN C#CCNS(=O)(=O)c1ccc(C(=O)O[C@@H](C)C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 ZINC000811833464 1073991217 /nfs/dbraw/zinc/99/12/17/1073991217.db2.gz DOFIFOOIAJBUOK-JSGCOSHPSA-N 0 0 428.488 -0.553 20 30 IBEDRN C#CCNS(=O)(=O)c1ccc(C(=O)O[C@H](C)C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 ZINC000811833465 1073991161 /nfs/dbraw/zinc/99/11/61/1073991161.db2.gz DOFIFOOIAJBUOK-OCCSQVGLSA-N 0 0 428.488 -0.553 20 30 IBEDRN C#CCNS(=O)(=O)c1ccc(C(=O)O[C@H](C)C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000811833466 1073991170 /nfs/dbraw/zinc/99/11/70/1073991170.db2.gz DOFIFOOIAJBUOK-TZMCWYRMSA-N 0 0 428.488 -0.553 20 30 IBEDRN C#CCNS(=O)(=O)c1ccc(C(=O)O[C@@H](C)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000811833895 1073991145 /nfs/dbraw/zinc/99/11/45/1073991145.db2.gz YCDUCMPPTQDYAG-DZGCQCFKSA-N 0 0 442.515 -0.211 20 30 IBEDRN C#CCNS(=O)(=O)c1ccc(C(=O)O[C@H](C)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000811833896 1073991140 /nfs/dbraw/zinc/99/11/40/1073991140.db2.gz YCDUCMPPTQDYAG-HIFRSBDPSA-N 0 0 442.515 -0.211 20 30 IBEDRN C#CCNS(=O)(=O)c1ccc(C(=O)O[C@H](C)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000811833897 1073991177 /nfs/dbraw/zinc/99/11/77/1073991177.db2.gz YCDUCMPPTQDYAG-UKRRQHHQSA-N 0 0 442.515 -0.211 20 30 IBEDRN C#CCNS(=O)(=O)c1ccc(C(=O)O[C@@H](C)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000811833898 1073991067 /nfs/dbraw/zinc/99/10/67/1073991067.db2.gz YCDUCMPPTQDYAG-ZFWWWQNUSA-N 0 0 442.515 -0.211 20 30 IBEDRN Cc1nsc(N2CCN(C(=O)NCCS(=O)(=O)N3CCOCC3)CC2)c1C#N ZINC000811872081 1073991687 /nfs/dbraw/zinc/99/16/87/1073991687.db2.gz VWWGLHVBOBVVAF-UHFFFAOYSA-N 0 0 428.540 -0.183 20 30 IBEDRN C#CCNS(=O)(=O)c1ccc(C(=O)N(CC)CC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 ZINC000811916740 1073992304 /nfs/dbraw/zinc/99/23/04/1073992304.db2.gz ZXYVSGBHIPMQTG-HNNXBMFYSA-N 0 0 441.531 -0.637 20 30 IBEDRN C#CCNS(=O)(=O)c1ccc(C(=O)N(CC)CC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000811916741 1073992292 /nfs/dbraw/zinc/99/22/92/1073992292.db2.gz ZXYVSGBHIPMQTG-OAHLLOKOSA-N 0 0 441.531 -0.637 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cn(C)nc2C(F)F)c(=O)n1CCOC ZINC000812273972 1073994447 /nfs/dbraw/zinc/99/44/47/1073994447.db2.gz POPQNHTWTXPIFR-UHFFFAOYSA-N 0 0 441.460 -0.507 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cc(F)ccc2OC)c(=O)n1CCOC ZINC000812275966 1073994430 /nfs/dbraw/zinc/99/44/30/1073994430.db2.gz WCZDLYFWUNEDRH-UHFFFAOYSA-N 0 0 435.477 -0.030 20 30 IBEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(F)ccc2OC)c(=O)n1CC(=O)N(C)C ZINC000812276343 1073994461 /nfs/dbraw/zinc/99/44/61/1073994461.db2.gz LAFNPEXQJSVQHU-UHFFFAOYSA-N 0 0 444.488 -0.049 20 30 IBEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cn(C)nc3C(F)F)c(=O)n2C)CC1 ZINC000812277803 1073994355 /nfs/dbraw/zinc/99/43/55/1073994355.db2.gz YUTWXGFICITXAC-UHFFFAOYSA-N 0 0 436.488 -0.215 20 30 IBEDRN C#CCn1c(=O)c(=Cc2cn(C)nc2C(F)F)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000812278356 1073994511 /nfs/dbraw/zinc/99/45/11/1073994511.db2.gz JALDXEVDENBGCP-UHFFFAOYSA-N 0 0 433.440 -0.424 20 30 IBEDRN C#CCn1c(=O)c(=Cc2cn(C)nc2C(F)F)sc1=C(C#N)C(=O)NCCCOC ZINC000812278827 1073994471 /nfs/dbraw/zinc/99/44/71/1073994471.db2.gz PHDZUNUPZYSOMJ-UHFFFAOYSA-N 0 0 435.456 -0.130 20 30 IBEDRN C#CCn1c(=O)c(=Cc2cn(C)nc2C(F)F)sc1=C(C#N)C(=O)N[C@H](C)COC ZINC000812278864 1073994456 /nfs/dbraw/zinc/99/44/56/1073994456.db2.gz QBPAFXJKXMRASS-LLVKDONJSA-N 0 0 435.456 -0.132 20 30 IBEDRN C#CCn1c(=O)c(=Cc2cn(C)nc2C(F)F)sc1=C(C#N)C(=O)N[C@@H](C)COC ZINC000812278865 1073994422 /nfs/dbraw/zinc/99/44/22/1073994422.db2.gz QBPAFXJKXMRASS-NSHDSACASA-N 0 0 435.456 -0.132 20 30 IBEDRN CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cn(C)nc2C(F)F)c(=O)n1CC(N)=O ZINC000812279380 1073994489 /nfs/dbraw/zinc/99/44/89/1073994489.db2.gz QEICNNQXGOJDOM-UHFFFAOYSA-N 0 0 438.460 -0.659 20 30 IBEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2cn(C)nc2C(F)F)c(=O)n1CC(N)=O ZINC000812279584 1073994505 /nfs/dbraw/zinc/99/45/05/1073994505.db2.gz QZQLUGUPURUSAP-UHFFFAOYSA-N 0 0 438.460 -0.514 20 30 IBEDRN C#CCNS(=O)(=O)c1cccc(C(=O)N2CCCN(S(=O)(=O)N(C)C)CC2)c1 ZINC000812354120 1073994994 /nfs/dbraw/zinc/99/49/94/1073994994.db2.gz KHHYURXIQGAFGX-UHFFFAOYSA-N 0 0 428.536 -0.448 20 30 IBEDRN CN(C)S(=O)(=O)N1CCCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC000812354878 1073995383 /nfs/dbraw/zinc/99/53/83/1073995383.db2.gz MUCCNBAGJOSOPE-UHFFFAOYSA-N 0 0 443.551 -0.544 20 30 IBEDRN CN(C)S(=O)(=O)N1CCCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC000812355076 1073994856 /nfs/dbraw/zinc/99/48/56/1073994856.db2.gz TURSKFPREAKSQS-UHFFFAOYSA-N 0 0 429.524 -0.934 20 30 IBEDRN C#CCNS(=O)(=O)c1ccc(C(=O)N2CCCN(S(=O)(=O)N(C)C)CC2)cc1 ZINC000812355749 1073995325 /nfs/dbraw/zinc/99/53/25/1073995325.db2.gz JEPSUHQDNUMCSF-UHFFFAOYSA-N 0 0 428.536 -0.448 20 30 IBEDRN C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC000812773189 1073998391 /nfs/dbraw/zinc/99/83/91/1073998391.db2.gz RFLGGJODDWVWFZ-AWEZNQCLSA-N 0 0 433.534 -0.074 20 30 IBEDRN C[C@H](C(=O)NC1CC1)N1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC000812773192 1073998466 /nfs/dbraw/zinc/99/84/66/1073998466.db2.gz RFLGGJODDWVWFZ-CQSZACIVSA-N 0 0 433.534 -0.074 20 30 IBEDRN C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2cccc(-n3cc(C(=O)OC)nn3)c2)CC1 ZINC000812962711 1074000986 /nfs/dbraw/zinc/00/09/86/1074000986.db2.gz GNMAYTQUXTWBCK-UHFFFAOYSA-N 0 0 438.444 -0.020 20 30 IBEDRN C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)CC1 ZINC000812963323 1074000876 /nfs/dbraw/zinc/00/08/76/1074000876.db2.gz PSTUWWQYVQGYKR-UHFFFAOYSA-N 0 0 425.489 -0.455 20 30 IBEDRN C#CCN(C(=O)C(=O)Nc1cccc(-n2cc(C(=O)OC)nn2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000812984271 1074001775 /nfs/dbraw/zinc/00/17/75/1074001775.db2.gz VPZJVOBMYFDJGD-HNNXBMFYSA-N 0 0 445.457 -0.359 20 30 IBEDRN C#CCN(C(=O)C(=O)Nc1cccc(-n2cc(C(=O)OC)nn2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000812984272 1074001799 /nfs/dbraw/zinc/00/17/99/1074001799.db2.gz VPZJVOBMYFDJGD-OAHLLOKOSA-N 0 0 445.457 -0.359 20 30 IBEDRN Cc1ncc(S(=O)(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)cc1C#N ZINC000813653199 1074005537 /nfs/dbraw/zinc/00/55/37/1074005537.db2.gz WFLBKAKJMRSPEF-AWEZNQCLSA-N 0 0 448.548 -0.915 20 30 IBEDRN Cc1ncc(S(=O)(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)cc1C#N ZINC000813653205 1074005631 /nfs/dbraw/zinc/00/56/31/1074005631.db2.gz WFLBKAKJMRSPEF-CQSZACIVSA-N 0 0 448.548 -0.915 20 30 IBEDRN C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCc1c(=O)n(C)c(=O)n(C)c1N(C)C ZINC000814060640 1074010860 /nfs/dbraw/zinc/01/08/60/1074010860.db2.gz LGWAWVBGUVOOBT-GFCCVEGCSA-N 0 0 449.489 -0.568 20 30 IBEDRN C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCc1c(=O)n(C)c(=O)n(C)c1N(C)C ZINC000814060649 1074010775 /nfs/dbraw/zinc/01/07/75/1074010775.db2.gz LGWAWVBGUVOOBT-LBPRGKRZSA-N 0 0 449.489 -0.568 20 30 IBEDRN C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCc1c(=O)n(C)c(=O)n(C)c1N(C)C ZINC000814060863 1074010816 /nfs/dbraw/zinc/01/08/16/1074010816.db2.gz MQVFIHVLZZZPSO-GFCCVEGCSA-N 0 0 449.489 -0.568 20 30 IBEDRN C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCc1c(=O)n(C)c(=O)n(C)c1N(C)C ZINC000814060866 1074010852 /nfs/dbraw/zinc/01/08/52/1074010852.db2.gz MQVFIHVLZZZPSO-LBPRGKRZSA-N 0 0 449.489 -0.568 20 30 IBEDRN CN(C)c1c(COC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)c(=O)n(C)c(=O)n1C ZINC000814064288 1074011833 /nfs/dbraw/zinc/01/18/33/1074011833.db2.gz XDYSHZSBDCMATD-UHFFFAOYSA-N 0 0 449.489 -0.301 20 30 IBEDRN C#CCNS(=O)(=O)c1cccc(C(=O)OCc2c(=O)n(C)c(=O)n(C)c2N(C)C)c1 ZINC000814064348 1074011772 /nfs/dbraw/zinc/01/17/72/1074011772.db2.gz RZTAMAXKEMHQCL-UHFFFAOYSA-N 0 0 434.474 -0.582 20 30 IBEDRN C=CCNS(=O)(=O)c1cccc(C(=O)OCc2c(=O)n(C)c(=O)n(C)c2N(C)C)c1 ZINC000814065545 1074012282 /nfs/dbraw/zinc/01/22/82/1074012282.db2.gz IXSIVAMEURCRCR-UHFFFAOYSA-N 0 0 436.490 -0.029 20 30 IBEDRN C#CCNS(=O)(=O)c1ccc(C(=O)OCc2c(=O)n(C)c(=O)n(C)c2N(C)C)cc1 ZINC000814065683 1074012167 /nfs/dbraw/zinc/01/21/67/1074012167.db2.gz OFRNFGBEGJXVEC-UHFFFAOYSA-N 0 0 434.474 -0.582 20 30 IBEDRN C=CCNS(=O)(=O)c1ccc(C(=O)OCc2c(=O)n(C)c(=O)n(C)c2N(C)C)cc1 ZINC000814065706 1074012226 /nfs/dbraw/zinc/01/22/26/1074012226.db2.gz PQRZEPHHJNPJJA-UHFFFAOYSA-N 0 0 436.490 -0.029 20 30 IBEDRN N#Cc1ccncc1N1CCN(C(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)CC1 ZINC000814146588 1074012494 /nfs/dbraw/zinc/01/24/94/1074012494.db2.gz ZDFNUIHFURQCAV-HNNXBMFYSA-N 0 0 430.490 -0.233 20 30 IBEDRN N#Cc1ccncc1N1CCN(C(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)CC1 ZINC000814146591 1074012515 /nfs/dbraw/zinc/01/25/15/1074012515.db2.gz ZDFNUIHFURQCAV-OAHLLOKOSA-N 0 0 430.490 -0.233 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cnn(CC(F)F)c2)c(=O)n1CCOC ZINC000814248950 1074013187 /nfs/dbraw/zinc/01/31/87/1074013187.db2.gz DKLLTAMAPQGHMK-UHFFFAOYSA-N 0 0 441.460 -0.717 20 30 IBEDRN C=CCn1c(=O)c(=Cc2cnn(CC(F)F)c2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000814248960 1074013178 /nfs/dbraw/zinc/01/31/78/1074013178.db2.gz DPLJDUDSGKTKRZ-UHFFFAOYSA-N 0 0 435.456 -0.081 20 30 IBEDRN Cn1c(=O)c(=Cc2cnn(CC(F)F)c2)sc1=C(C#N)C(=O)N1CCSCC1 ZINC000814249917 1074013110 /nfs/dbraw/zinc/01/31/10/1074013110.db2.gz DNTNTNLEBQOBLD-UHFFFAOYSA-N 0 0 425.486 -0.013 20 30 IBEDRN C#CCn1c(=O)c(=Cc2cnn(CC(F)F)c2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000814250049 1074013162 /nfs/dbraw/zinc/01/31/62/1074013162.db2.gz FVKGDUHIQQLQAU-UHFFFAOYSA-N 0 0 433.440 -0.634 20 30 IBEDRN CCn1cc(-n2c(=O)c(=Cc3cnn(CC(F)F)c3)sc2=C(C#N)C(=O)NC)cn1 ZINC000814250243 1074013071 /nfs/dbraw/zinc/01/30/71/1074013071.db2.gz JQNOHXNRHFEHNL-UHFFFAOYSA-N 0 0 433.444 -0.174 20 30 IBEDRN C#CCn1c(=O)c(=Cc2cnn(CC(F)F)c2)sc1=C(C#N)C(=O)N[C@H](C)COC ZINC000814250269 1074013156 /nfs/dbraw/zinc/01/31/56/1074013156.db2.gz KULRDICDGSFLAB-GFCCVEGCSA-N 0 0 435.456 -0.341 20 30 IBEDRN C#CCn1c(=O)c(=Cc2cnn(CC(F)F)c2)sc1=C(C#N)C(=O)N[C@@H](C)COC ZINC000814250270 1074013126 /nfs/dbraw/zinc/01/31/26/1074013126.db2.gz KULRDICDGSFLAB-LBPRGKRZSA-N 0 0 435.456 -0.341 20 30 IBEDRN CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cnn(CC(F)F)c2)c(=O)n1CC(N)=O ZINC000814250312 1074013094 /nfs/dbraw/zinc/01/30/94/1074013094.db2.gz NONDEZKRXAMGLW-UHFFFAOYSA-N 0 0 438.460 -0.868 20 30 IBEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cnn(CC(F)F)c3)c(=O)n2C)CC1 ZINC000814250400 1074013251 /nfs/dbraw/zinc/01/32/51/1074013251.db2.gz PBIBQINCQPUXAA-UHFFFAOYSA-N 0 0 436.488 -0.424 20 30 IBEDRN C#CCn1c(=O)c(=Cc2cnn(CC(F)F)c2)sc1=C(C#N)C(=O)NCCCOC ZINC000814250464 1074013082 /nfs/dbraw/zinc/01/30/82/1074013082.db2.gz QMVWLZSHHLYCGU-UHFFFAOYSA-N 0 0 435.456 -0.340 20 30 IBEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(CC(F)F)c2)c(=O)n1CC(N)=O ZINC000814250533 1074013170 /nfs/dbraw/zinc/01/31/70/1074013170.db2.gz SZFHEETWFDHGHD-UHFFFAOYSA-N 0 0 438.460 -0.724 20 30 IBEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(CC(F)F)c2)c(=O)n1C ZINC000814250647 1074013245 /nfs/dbraw/zinc/01/32/45/1074013245.db2.gz UGPSUGFLAZPXMT-UHFFFAOYSA-N 0 0 425.461 -0.046 20 30 IBEDRN Cn1cc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C3CCC3)c2=O)cn1 ZINC000814251378 1074013148 /nfs/dbraw/zinc/01/31/48/1074013148.db2.gz HMLWWHBNTFMBSW-UHFFFAOYSA-N 0 0 442.545 -0.680 20 30 IBEDRN Cn1ccc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C3CCC3)c2=O)c1 ZINC000814251587 1074013262 /nfs/dbraw/zinc/01/32/62/1074013262.db2.gz KSCMEHPNOYTRJI-UHFFFAOYSA-N 0 0 441.557 -0.075 20 30 IBEDRN Cn1ccc(C=c2sc(=C(C#N)C(=O)N3CCS(=O)(=O)CC3)n(C3CCC3)c2=O)c1 ZINC000814252716 1074013197 /nfs/dbraw/zinc/01/31/97/1074013197.db2.gz GGSAVSFBUCYMSI-UHFFFAOYSA-N 0 0 446.554 -0.267 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cnn(CCOC)c2)c(=O)n1C1CCC1 ZINC000814253404 1074013528 /nfs/dbraw/zinc/01/35/28/1074013528.db2.gz YJGOJSJAKONTHL-UHFFFAOYSA-N 0 0 431.518 -0.257 20 30 IBEDRN COCCn1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C3CCC3)c2=O)cn1 ZINC000814254522 1074013575 /nfs/dbraw/zinc/01/35/75/1074013575.db2.gz WYOKVRBZRVKQLH-UHFFFAOYSA-N 0 0 443.529 -0.160 20 30 IBEDRN C#CCNC(=O)CN1CCN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000814268499 1074013237 /nfs/dbraw/zinc/01/32/37/1074013237.db2.gz BUKWZIONIGNWNY-UHFFFAOYSA-N 0 0 446.529 -0.240 20 30 IBEDRN NC(=O)CCNC(=O)c1ccc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1 ZINC000814337278 1074014494 /nfs/dbraw/zinc/01/44/94/1074014494.db2.gz CDCNDVDYSPCAAF-UHFFFAOYSA-N 0 0 429.458 -0.031 20 30 IBEDRN C=C[C@H](O)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 ZINC000814541345 1074015993 /nfs/dbraw/zinc/01/59/93/1074015993.db2.gz NWPGMRFNPREYGT-HNNXBMFYSA-N 0 0 440.474 -0.229 20 30 IBEDRN C=C[C@@H](O)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 ZINC000814541346 1074015977 /nfs/dbraw/zinc/01/59/77/1074015977.db2.gz NWPGMRFNPREYGT-OAHLLOKOSA-N 0 0 440.474 -0.229 20 30 IBEDRN C=C[C@H](O)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1 ZINC000814543558 1074016361 /nfs/dbraw/zinc/01/63/61/1074016361.db2.gz FVEFLOLVSKKXSK-AWEZNQCLSA-N 0 0 428.463 -0.373 20 30 IBEDRN C=C[C@@H](O)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1 ZINC000814543560 1074016426 /nfs/dbraw/zinc/01/64/26/1074016426.db2.gz FVEFLOLVSKKXSK-CQSZACIVSA-N 0 0 428.463 -0.373 20 30 IBEDRN CN(C)c1cc(C#N)cc(C(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)c1 ZINC000814545251 1074016328 /nfs/dbraw/zinc/01/63/28/1074016328.db2.gz NCNVBGYEMPLLQP-KRWDZBQOSA-N 0 0 440.547 -0.101 20 30 IBEDRN CN(C)c1cc(C#N)cc(C(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)c1 ZINC000814545252 1074016444 /nfs/dbraw/zinc/01/64/44/1074016444.db2.gz NCNVBGYEMPLLQP-QGZVFWFLSA-N 0 0 440.547 -0.101 20 30 IBEDRN C=C[C@H](O)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000814549300 1074016377 /nfs/dbraw/zinc/01/63/77/1074016377.db2.gz DUDPKAUMCFQAGT-AWEZNQCLSA-N 0 0 426.447 -0.619 20 30 IBEDRN C=C[C@@H](O)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000814549301 1074016437 /nfs/dbraw/zinc/01/64/37/1074016437.db2.gz DUDPKAUMCFQAGT-CQSZACIVSA-N 0 0 426.447 -0.619 20 30 IBEDRN C=C[C@H](O)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 ZINC000814550334 1074016435 /nfs/dbraw/zinc/01/64/35/1074016435.db2.gz LRDZPQZJZOYMBA-AWEZNQCLSA-N 0 0 428.463 -0.373 20 30 IBEDRN C=C[C@@H](O)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 ZINC000814550335 1074016338 /nfs/dbraw/zinc/01/63/38/1074016338.db2.gz LRDZPQZJZOYMBA-CQSZACIVSA-N 0 0 428.463 -0.373 20 30 IBEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3nnn(-c4ccn(C)n4)c3C)CC2)o1 ZINC000814578899 1074016416 /nfs/dbraw/zinc/01/64/16/1074016416.db2.gz MPEUCDTUFYHZMP-UHFFFAOYSA-N 0 0 439.436 -0.017 20 30 IBEDRN CC(=NNC(=S)NCCN1CCOCC1)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC000814716452 1074017444 /nfs/dbraw/zinc/01/74/44/1074017444.db2.gz CLZUWNGBNTZOMB-UHFFFAOYSA-N 0 0 427.552 -0.534 20 30 IBEDRN CC(=NNC(=S)NCCCN1CCOCC1)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC000814727966 1074017510 /nfs/dbraw/zinc/01/75/10/1074017510.db2.gz GQOQLYPCGUWORH-UHFFFAOYSA-N 0 0 441.579 -0.144 20 30 IBEDRN C#CCNC(=O)CCN1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)CC1 ZINC000815065204 1074018822 /nfs/dbraw/zinc/01/88/22/1074018822.db2.gz UEURHANPJDXKHJ-UHFFFAOYSA-N 0 0 427.548 -0.156 20 30 IBEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)[C@@H]2CCNC(=O)CC2)CC1 ZINC000815423540 1074024694 /nfs/dbraw/zinc/02/46/94/1074024694.db2.gz IKIVEISJBXZTKM-HNNXBMFYSA-N 0 0 448.501 -0.149 20 30 IBEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)[C@H]2CCNC(=O)CC2)CC1 ZINC000815423541 1074024660 /nfs/dbraw/zinc/02/46/60/1074024660.db2.gz IKIVEISJBXZTKM-OAHLLOKOSA-N 0 0 448.501 -0.149 20 30 IBEDRN CCn1ncc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n1 ZINC000815428898 1074024612 /nfs/dbraw/zinc/02/46/12/1074024612.db2.gz CAUIYOOAASTDFU-UHFFFAOYSA-N 0 0 432.462 -0.140 20 30 IBEDRN C#CCNC(=O)CN1CCCN(C(=O)c2c(I)cnn2C)CC1 ZINC000815439095 1074024556 /nfs/dbraw/zinc/02/45/56/1074024556.db2.gz BOQLXTHTTJOXFL-UHFFFAOYSA-N 0 0 429.262 -0.078 20 30 IBEDRN C#CCNC(=O)CN1CCCN(C(=O)c2cnn(C)c2I)CC1 ZINC000815439554 1074024547 /nfs/dbraw/zinc/02/45/47/1074024547.db2.gz VKZIKLYPWQOOIV-UHFFFAOYSA-N 0 0 429.262 -0.078 20 30 IBEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)CC2)o1 ZINC000815474966 1074025066 /nfs/dbraw/zinc/02/50/66/1074025066.db2.gz PRFNHZPTWVARBW-GASCZTMLSA-N 0 0 441.444 -0.002 20 30 IBEDRN CCn1nncc1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000815529923 1074026949 /nfs/dbraw/zinc/02/69/49/1074026949.db2.gz QFWIFQRHHQSJNE-UHFFFAOYSA-N 0 0 432.462 -0.140 20 30 IBEDRN N#Cc1ccsc1NC(=O)C(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000815536751 1074026168 /nfs/dbraw/zinc/02/61/68/1074026168.db2.gz FIPLBQGVRXPRHO-GFCCVEGCSA-N 0 0 446.532 -0.781 20 30 IBEDRN N#Cc1ccsc1NC(=O)C(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000815536752 1074026261 /nfs/dbraw/zinc/02/62/61/1074026261.db2.gz FIPLBQGVRXPRHO-LBPRGKRZSA-N 0 0 446.532 -0.781 20 30 IBEDRN C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(N2CCN(C(=O)OC)CC2)nc1 ZINC000815556714 1074026976 /nfs/dbraw/zinc/02/69/76/1074026976.db2.gz CKEJBMSZWHKNGD-UHFFFAOYSA-N 0 0 439.494 -0.375 20 30 IBEDRN CCOC(=O)CN1c2ccc(NC(=O)C(=O)NCC(=O)NCC#N)cc2C(F)(F)C1=O ZINC000815647720 1074029770 /nfs/dbraw/zinc/02/97/70/1074029770.db2.gz SERXIOHSTXOBEN-UHFFFAOYSA-N 0 0 437.359 -0.617 20 30 IBEDRN N#CCNC(=O)CNC(=O)C(=O)Nc1ccc([N+](=O)[O-])c(I)c1 ZINC000815647872 1074029810 /nfs/dbraw/zinc/02/98/10/1074029810.db2.gz XLWZKUOQXREOHY-UHFFFAOYSA-N 0 0 431.146 -0.106 20 30 IBEDRN Cn1cnn(CCC(=O)[C@H](C#N)C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1=O ZINC000815911506 1074031889 /nfs/dbraw/zinc/03/18/89/1074031889.db2.gz DHPAZHYWTSXMGP-INIZCTEOSA-N 0 0 427.421 -0.062 20 30 IBEDRN Cn1cnn(CCC(=O)[C@@H](C#N)C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1=O ZINC000815911507 1074032011 /nfs/dbraw/zinc/03/20/11/1074032011.db2.gz DHPAZHYWTSXMGP-MRXNPFEDSA-N 0 0 427.421 -0.062 20 30 IBEDRN Cc1nc(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)c(C(=O)NCCO)n1C ZINC000816332579 1074036175 /nfs/dbraw/zinc/03/61/75/1074036175.db2.gz CJKYTTCCQJKANK-UHFFFAOYSA-N 0 0 434.478 -0.482 20 30 IBEDRN CNS(=O)(=O)NC1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC000816469436 1074037361 /nfs/dbraw/zinc/03/73/61/1074037361.db2.gz XMWZXVGDBVWPDO-UHFFFAOYSA-N 0 0 429.524 -0.840 20 30 IBEDRN NC(=O)c1ncn(C2CCN(C(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)CC2)c1N ZINC000816527273 1074037736 /nfs/dbraw/zinc/03/77/36/1074037736.db2.gz CUDVUMOSYGBIRH-UHFFFAOYSA-N 0 0 445.505 -0.144 20 30 IBEDRN CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCNS(=O)(=O)N(C)C ZINC000816589475 1074038233 /nfs/dbraw/zinc/03/82/33/1074038233.db2.gz ZWWGCFCAOMLNJT-AWEZNQCLSA-N 0 0 445.567 -0.204 20 30 IBEDRN CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCNS(=O)(=O)N(C)C ZINC000816589476 1074038098 /nfs/dbraw/zinc/03/80/98/1074038098.db2.gz ZWWGCFCAOMLNJT-CQSZACIVSA-N 0 0 445.567 -0.204 20 30 IBEDRN C#CC[C@@H](CO)NC(=O)Cn1c(=O)c2c(ncn2CCOC)n(Cc2ccccc2)c1=O ZINC000816673589 1074038688 /nfs/dbraw/zinc/03/86/88/1074038688.db2.gz CDDYRBCTFBLAAM-KRWDZBQOSA-N 0 0 439.472 -0.445 20 30 IBEDRN C#CC[C@H](CO)NC(=O)Cn1c(=O)c2c(ncn2CCOC)n(Cc2ccccc2)c1=O ZINC000816673590 1074038499 /nfs/dbraw/zinc/03/84/99/1074038499.db2.gz CDDYRBCTFBLAAM-QGZVFWFLSA-N 0 0 439.472 -0.445 20 30 IBEDRN COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)N[C@H]2CCN(O)C2=O)CC1 ZINC000816693886 1074038634 /nfs/dbraw/zinc/03/86/34/1074038634.db2.gz VDDDBCTXBLXEIZ-AWEZNQCLSA-N 0 0 425.463 -0.020 20 30 IBEDRN COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)N[C@@H]2CCN(O)C2=O)CC1 ZINC000816693887 1074038717 /nfs/dbraw/zinc/03/87/17/1074038717.db2.gz VDDDBCTXBLXEIZ-CQSZACIVSA-N 0 0 425.463 -0.020 20 30 IBEDRN O=C(N[C@H]1CCN(O)C1=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000816695242 1074038478 /nfs/dbraw/zinc/03/84/78/1074038478.db2.gz YASPPTXHPHMBDG-AWEZNQCLSA-N 0 0 425.463 -0.035 20 30 IBEDRN O=C(N[C@@H]1CCN(O)C1=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000816695243 1074038953 /nfs/dbraw/zinc/03/89/53/1074038953.db2.gz YASPPTXHPHMBDG-CQSZACIVSA-N 0 0 425.463 -0.035 20 30 IBEDRN Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)N[C@H]3CCN(O)C3=O)CC2)cc1 ZINC000816696124 1074039061 /nfs/dbraw/zinc/03/90/61/1074039061.db2.gz RPNRIBCJNHHFQF-INIZCTEOSA-N 0 0 438.506 -0.286 20 30 IBEDRN Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)N[C@@H]3CCN(O)C3=O)CC2)cc1 ZINC000816696125 1074038935 /nfs/dbraw/zinc/03/89/35/1074038935.db2.gz RPNRIBCJNHHFQF-MRXNPFEDSA-N 0 0 438.506 -0.286 20 30 IBEDRN CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3CCN(O)C3=O)CC2)o1 ZINC000816697085 1074038919 /nfs/dbraw/zinc/03/89/19/1074038919.db2.gz QMNWFENXFDMUEJ-GFCCVEGCSA-N 0 0 429.451 -0.037 20 30 IBEDRN CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H]3CCN(O)C3=O)CC2)o1 ZINC000816697086 1074038878 /nfs/dbraw/zinc/03/88/78/1074038878.db2.gz QMNWFENXFDMUEJ-LBPRGKRZSA-N 0 0 429.451 -0.037 20 30 IBEDRN CS(=O)(=O)N=S1(=O)CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 ZINC000816713835 1074039899 /nfs/dbraw/zinc/03/98/99/1074039899.db2.gz GPHKQBYCOCOWHJ-UHFFFAOYSA-N 0 0 448.548 -0.238 20 30 IBEDRN C#CCNS(=O)(=O)c1ccc(C(=O)N2CCS(=O)(=NS(C)(=O)=O)CC2)cc1 ZINC000816714076 1074039933 /nfs/dbraw/zinc/03/99/33/1074039933.db2.gz QKDVFQXHJQCFJD-UHFFFAOYSA-N 0 0 433.533 -0.519 20 30 IBEDRN CS(=O)(=O)N=S1(=O)CCN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1 ZINC000816714151 1074039929 /nfs/dbraw/zinc/03/99/29/1074039929.db2.gz UNVNPTGQMSFBEK-UHFFFAOYSA-N 0 0 433.533 -0.257 20 30 IBEDRN CS(=O)(=O)N=S1(=O)CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC000816715009 1074039906 /nfs/dbraw/zinc/03/99/06/1074039906.db2.gz DMGWKIWDQZLTCE-UHFFFAOYSA-N 0 0 448.548 -0.615 20 30 IBEDRN C#CCNS(=O)(=O)c1cccc(C(=O)N2CCS(=O)(=NS(C)(=O)=O)CC2)c1 ZINC000816716162 1074040129 /nfs/dbraw/zinc/04/01/29/1074040129.db2.gz ZPHHZUMLSUCIIG-UHFFFAOYSA-N 0 0 433.533 -0.519 20 30 IBEDRN O=C(CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)N[C@H]1CCCN(O)C1=O ZINC000816753224 1074040270 /nfs/dbraw/zinc/04/02/70/1074040270.db2.gz CEUNIOBPICGGDL-INIZCTEOSA-N 0 0 438.506 -0.204 20 30 IBEDRN O=C(CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)N[C@@H]1CCCN(O)C1=O ZINC000816753225 1074040211 /nfs/dbraw/zinc/04/02/11/1074040211.db2.gz CEUNIOBPICGGDL-MRXNPFEDSA-N 0 0 438.506 -0.204 20 30 IBEDRN CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)N[C@H]2CCCN(O)C2=O)c1 ZINC000816758522 1074040140 /nfs/dbraw/zinc/04/01/40/1074040140.db2.gz RBBKPUGDALTJCH-HNNXBMFYSA-N 0 0 426.495 -0.057 20 30 IBEDRN CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)N[C@@H]2CCCN(O)C2=O)c1 ZINC000816758523 1074040391 /nfs/dbraw/zinc/04/03/91/1074040391.db2.gz RBBKPUGDALTJCH-OAHLLOKOSA-N 0 0 426.495 -0.057 20 30 IBEDRN CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)N[C@H]2CCCN(O)C2=O)c1 ZINC000816759343 1074040241 /nfs/dbraw/zinc/04/02/41/1074040241.db2.gz KXOKXTHODIWOPR-HNNXBMFYSA-N 0 0 426.495 -0.117 20 30 IBEDRN CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)N[C@@H]2CCCN(O)C2=O)c1 ZINC000816759344 1074040169 /nfs/dbraw/zinc/04/01/69/1074040169.db2.gz KXOKXTHODIWOPR-OAHLLOKOSA-N 0 0 426.495 -0.117 20 30 IBEDRN CN(C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000816812192 1074040884 /nfs/dbraw/zinc/04/08/84/1074040884.db2.gz GORNVABWUIDNPJ-CYBMUJFWSA-N 0 0 428.536 -0.002 20 30 IBEDRN CN(C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000816812193 1074040873 /nfs/dbraw/zinc/04/08/73/1074040873.db2.gz GORNVABWUIDNPJ-ZDUSSCGKSA-N 0 0 428.536 -0.002 20 30 IBEDRN C[C@H](CC(=O)N(C)[C@@H]1CCN(S(C)(=O)=O)C1)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000816812956 1074040709 /nfs/dbraw/zinc/04/07/09/1074040709.db2.gz FOYCUNYNMYHNRO-CHWSQXEVSA-N 0 0 428.536 -0.004 20 30 IBEDRN C[C@H](CC(=O)N(C)[C@H]1CCN(S(C)(=O)=O)C1)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000816812957 1074040745 /nfs/dbraw/zinc/04/07/45/1074040745.db2.gz FOYCUNYNMYHNRO-OLZOCXBDSA-N 0 0 428.536 -0.004 20 30 IBEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCN3C(=O)CCNC3=S)CC2)cc1 ZINC000816846028 1074041486 /nfs/dbraw/zinc/04/14/86/1074041486.db2.gz LTLGUKAGCWWCHA-UHFFFAOYSA-N 0 0 435.531 -0.112 20 30 IBEDRN C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1 ZINC000817820180 1074044084 /nfs/dbraw/zinc/04/40/84/1074044084.db2.gz UVDHLNPHZJYBJA-UHFFFAOYSA-N 0 0 426.882 -0.273 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(N3CCN(C(=O)OC)CC3)nc2)C1=O ZINC000818886015 1074046100 /nfs/dbraw/zinc/04/61/00/1074046100.db2.gz ZXJMXGWEMWUBRU-UHFFFAOYSA-N 0 0 430.421 -0.115 20 30 IBEDRN CC(C)(C)OC(=O)N1CC(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)(C(N)=O)C1 ZINC000819502369 1074047107 /nfs/dbraw/zinc/04/71/07/1074047107.db2.gz CJJFZJSGPKZVFA-UHFFFAOYSA-N 0 0 437.478 -0.684 20 30 IBEDRN NC(=O)c1ncn(C2CCN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CC2)c1N ZINC000819681176 1074048744 /nfs/dbraw/zinc/04/87/44/1074048744.db2.gz VDYULFIOCOJABB-UHFFFAOYSA-N 0 0 431.478 -0.534 20 30 IBEDRN CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCNS(=O)(=O)N(C)C ZINC000819786639 1074048550 /nfs/dbraw/zinc/04/85/50/1074048550.db2.gz CPFYIOKIKYESQK-AWEZNQCLSA-N 0 0 445.567 -0.348 20 30 IBEDRN CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCNS(=O)(=O)N(C)C ZINC000819786640 1074048773 /nfs/dbraw/zinc/04/87/73/1074048773.db2.gz CPFYIOKIKYESQK-CQSZACIVSA-N 0 0 445.567 -0.348 20 30 IBEDRN CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCOCCS(N)(=O)=O ZINC000819788024 1074048713 /nfs/dbraw/zinc/04/87/13/1074048713.db2.gz RRFWKYUYWBICCL-AWEZNQCLSA-N 0 0 446.551 -0.439 20 30 IBEDRN CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCOCCS(N)(=O)=O ZINC000819788025 1074049013 /nfs/dbraw/zinc/04/90/13/1074049013.db2.gz RRFWKYUYWBICCL-CQSZACIVSA-N 0 0 446.551 -0.439 20 30 IBEDRN COc1ccc(CC(=O)N[C@H]2CCCN(O)C2=O)cc1S(=O)(=O)N1CCOCC1 ZINC000820482067 1074052111 /nfs/dbraw/zinc/05/21/11/1074052111.db2.gz DASCZIUPTNLVRO-AWEZNQCLSA-N 0 0 427.479 -0.245 20 30 IBEDRN COc1ccc(CC(=O)N[C@@H]2CCCN(O)C2=O)cc1S(=O)(=O)N1CCOCC1 ZINC000820482078 1074052158 /nfs/dbraw/zinc/05/21/58/1074052158.db2.gz DASCZIUPTNLVRO-CQSZACIVSA-N 0 0 427.479 -0.245 20 30 IBEDRN CCOC(=O)N1CCN(C(=O)COC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC000821702772 1074055321 /nfs/dbraw/zinc/05/53/21/1074055321.db2.gz ZNXTVEOWJDTTKY-UHFFFAOYSA-N 0 0 438.462 -0.431 20 30 IBEDRN CCN(C(=O)COC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000821710262 1074055460 /nfs/dbraw/zinc/05/54/60/1074055460.db2.gz HSQGFZDOMLUILM-GFCCVEGCSA-N 0 0 443.503 -0.696 20 30 IBEDRN CCN(C(=O)COC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)[C@H]1CCS(=O)(=O)C1 ZINC000821710264 1074055419 /nfs/dbraw/zinc/05/54/19/1074055419.db2.gz HSQGFZDOMLUILM-LBPRGKRZSA-N 0 0 443.503 -0.696 20 30 IBEDRN C=CCNS(=O)(=O)c1ccc(C(=O)OCCn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000823533704 1074061776 /nfs/dbraw/zinc/06/17/76/1074061776.db2.gz MMZDTWJKEBDIMZ-UHFFFAOYSA-N 0 0 447.473 -0.245 20 30 IBEDRN CCN(CC)S(=O)(=O)N1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000823971314 1074062547 /nfs/dbraw/zinc/06/25/47/1074062547.db2.gz QHKLFSHXADNWSR-UHFFFAOYSA-N 0 0 443.551 -0.433 20 30 IBEDRN CCN(CC)S(=O)(=O)N1CCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000823971833 1074062824 /nfs/dbraw/zinc/06/28/24/1074062824.db2.gz ZNWMMIIPQPWXHA-UHFFFAOYSA-N 0 0 443.551 -0.433 20 30 IBEDRN C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(S(=O)(=O)N(CC)CC)CC2)c1 ZINC000823984634 1074062602 /nfs/dbraw/zinc/06/26/02/1074062602.db2.gz NWGCOSUPNIVKOQ-UHFFFAOYSA-N 0 0 442.563 -0.058 20 30 IBEDRN CCn1cc(C#N)c(=O)n(CC(=O)NN2C(=O)N[C@@](C)(c3cccc(OC)c3)C2=O)c1=O ZINC000825722591 1074466972 /nfs/dbraw/zinc/46/69/72/1074466972.db2.gz XAUYXHWXABJIRR-FQEVSTJZSA-N 0 0 440.416 -0.591 20 30 IBEDRN CCn1cc(C#N)c(=O)n(CC(=O)NN2C(=O)N[C@](C)(c3cccc(OC)c3)C2=O)c1=O ZINC000825722592 1074466997 /nfs/dbraw/zinc/46/69/97/1074466997.db2.gz XAUYXHWXABJIRR-HXUWFJFHSA-N 0 0 440.416 -0.591 20 30 IBEDRN Cn1cc(C#N)c(=O)n(CC(=O)N2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)c1=O ZINC000828511147 1073064423 /nfs/dbraw/zinc/06/44/23/1073064423.db2.gz KAOQPKVXDUNZLQ-GHXNOFRVSA-N 0 0 443.485 -0.436 20 30 IBEDRN Cn1cc(C#N)c(=O)n(CC(=O)N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)c1=O ZINC000828511163 1073064498 /nfs/dbraw/zinc/06/44/98/1073064498.db2.gz KAOQPKVXDUNZLQ-KPKJPENVSA-N 0 0 443.485 -0.436 20 30 IBEDRN O=C(C/N=C1/NS(=O)(=O)c2ccccc21)OCC(=O)N1CCN(c2cnccn2)CC1 ZINC000831243801 1073066883 /nfs/dbraw/zinc/06/68/83/1073066883.db2.gz OMKCORPAFDDLJY-UHFFFAOYSA-N 0 0 444.473 -0.593 20 30 IBEDRN C=CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1 ZINC000834862479 1073072431 /nfs/dbraw/zinc/07/24/31/1073072431.db2.gz URXISGQWWXQDGP-UHFFFAOYSA-N 0 0 436.446 -0.830 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccccc1OC ZINC000837286171 1073075676 /nfs/dbraw/zinc/07/56/76/1073075676.db2.gz VOZFCSZAQDZXBJ-UHFFFAOYSA-N 0 0 439.497 -0.093 20 30 IBEDRN C=CCn1c(=O)c(=Cc2cnn(-c3ccccc3)n2)sc1=C(C#N)C(=O)NCCOC ZINC000837286202 1073075649 /nfs/dbraw/zinc/07/56/49/1073075649.db2.gz UEEHABBVROAJDX-UHFFFAOYSA-N 0 0 436.497 -0.058 20 30 IBEDRN CCOCCCn1c(=O)c(=Cc2cnn(C)c2)sc1=C(C#N)C(=O)N[C@@H](C)COC ZINC000837367516 1073075811 /nfs/dbraw/zinc/07/58/11/1073075811.db2.gz DSZZWTMJEFJMBC-AWEZNQCLSA-N 0 0 433.534 -0.276 20 30 IBEDRN CCOCCCn1c(=O)c(=Cc2cnn(C)c2)sc1=C(C#N)C(=O)N[C@H](C)COC ZINC000837367520 1073075752 /nfs/dbraw/zinc/07/57/52/1073075752.db2.gz DSZZWTMJEFJMBC-CQSZACIVSA-N 0 0 433.534 -0.276 20 30 IBEDRN CCOCCCn1c(=O)c(=Cc2cnn(C)c2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000837370981 1073075666 /nfs/dbraw/zinc/07/56/66/1073075666.db2.gz WPCHMCNUIABKQY-UHFFFAOYSA-N 0 0 431.518 -0.568 20 30 IBEDRN CCCn1c(=O)c(=Cc2cnn(C)c2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000837524483 1073075778 /nfs/dbraw/zinc/07/57/78/1073075778.db2.gz QBTCCOAMLYITGD-UHFFFAOYSA-N 0 0 430.534 -0.995 20 30 IBEDRN CC(C)Cn1c(=O)c(=Cc2cnn(C)c2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000837714891 1073076080 /nfs/dbraw/zinc/07/60/80/1073076080.db2.gz OGPBKABMNYAEQZ-UHFFFAOYSA-N 0 0 444.561 -0.749 20 30 IBEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cnn(C)c3)c(=O)n2CC(C)C)CC1 ZINC000837715614 1073076259 /nfs/dbraw/zinc/07/62/59/1073076259.db2.gz SVGOEVUTXLCOEK-UHFFFAOYSA-N 0 0 428.562 -0.034 20 30 IBEDRN Cn1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C[C@@H]3CCCO3)c2=O)cn1 ZINC000837846791 1073076097 /nfs/dbraw/zinc/07/60/97/1073076097.db2.gz PFSDPQSPTUTKEP-HNNXBMFYSA-N 0 0 429.502 -0.816 20 30 IBEDRN Cn1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C[C@H]3CCCO3)c2=O)cn1 ZINC000837846807 1073076245 /nfs/dbraw/zinc/07/62/45/1073076245.db2.gz PFSDPQSPTUTKEP-OAHLLOKOSA-N 0 0 429.502 -0.816 20 30 IBEDRN COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1C[C@H]1CCCO1 ZINC000837849160 1073076603 /nfs/dbraw/zinc/07/66/03/1073076603.db2.gz PMGDRDYVYYSKJX-DZGCQCFKSA-N 0 0 431.518 -0.524 20 30 IBEDRN COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1C[C@@H]1CCCO1 ZINC000837849172 1073076655 /nfs/dbraw/zinc/07/66/55/1073076655.db2.gz PMGDRDYVYYSKJX-HIFRSBDPSA-N 0 0 431.518 -0.524 20 30 IBEDRN COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1C[C@H]1CCCO1 ZINC000837849175 1073076773 /nfs/dbraw/zinc/07/67/73/1073076773.db2.gz PMGDRDYVYYSKJX-UKRRQHHQSA-N 0 0 431.518 -0.524 20 30 IBEDRN COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1C[C@@H]1CCCO1 ZINC000837849177 1073076677 /nfs/dbraw/zinc/07/66/77/1073076677.db2.gz PMGDRDYVYYSKJX-ZFWWWQNUSA-N 0 0 431.518 -0.524 20 30 IBEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1C[C@@H]1CCCO1 ZINC000837850108 1073076446 /nfs/dbraw/zinc/07/64/46/1073076446.db2.gz WQWNBNIXJZCUMO-HNNXBMFYSA-N 0 0 431.518 -0.522 20 30 IBEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1C[C@H]1CCCO1 ZINC000837850114 1073076667 /nfs/dbraw/zinc/07/66/67/1073076667.db2.gz WQWNBNIXJZCUMO-OAHLLOKOSA-N 0 0 431.518 -0.522 20 30 IBEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1C[C@@H]1CCCO1 ZINC000837854413 1073076784 /nfs/dbraw/zinc/07/67/84/1073076784.db2.gz ZNCHJNQATBAYNU-INIZCTEOSA-N 0 0 445.545 -0.132 20 30 IBEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1C[C@H]1CCCO1 ZINC000837854414 1073076513 /nfs/dbraw/zinc/07/65/13/1073076513.db2.gz ZNCHJNQATBAYNU-MRXNPFEDSA-N 0 0 445.545 -0.132 20 30 IBEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3csc(C)n3)c(=O)n2CCOC)CC1 ZINC000838222644 1073077073 /nfs/dbraw/zinc/07/70/73/1073077073.db2.gz OHZCFAFYRPGRIA-UHFFFAOYSA-N 0 0 447.586 -0.012 20 30 IBEDRN COCCn1c(=O)c(=Cc2cnn(-c3ccccc3)n2)sc1=C(C#N)C(=O)NC1CC1 ZINC000838227148 1073077002 /nfs/dbraw/zinc/07/70/02/1073077002.db2.gz ADKDYBOMESYZNK-UHFFFAOYSA-N 0 0 436.497 -0.081 20 30 IBEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(-c3ccccc3)n2)c(=O)n1CCOC ZINC000838228034 1073077125 /nfs/dbraw/zinc/07/71/25/1073077125.db2.gz SNAIOTOCEJXXQM-UHFFFAOYSA-N 0 0 436.497 -0.058 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(F)c2)c(=O)n1CCOC ZINC000838245675 1073077188 /nfs/dbraw/zinc/07/71/88/1073077188.db2.gz NAJYAQMPCRJECJ-UHFFFAOYSA-N 0 0 435.477 -0.030 20 30 IBEDRN COCCn1c(=O)c(=Cc2cnn(C)c2)sc1=C(C#N)C(=O)NCCCOC(C)C ZINC000838246542 1073077024 /nfs/dbraw/zinc/07/70/24/1073077024.db2.gz PUWRQRXNBQVKAC-UHFFFAOYSA-N 0 0 433.534 -0.276 20 30 IBEDRN N#CC(C#N)=c1sc(=Cc2cnn(-c3ccccc3)n2)c(=O)n1CCN1CCOCC1 ZINC000838527957 1073077471 /nfs/dbraw/zinc/07/74/71/1073077471.db2.gz JZDQRTKSDIHRHC-UHFFFAOYSA-N 0 0 433.497 -0.151 20 30 IBEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1CCN1CCOCC1 ZINC000838532346 1073077561 /nfs/dbraw/zinc/07/75/61/1073077561.db2.gz BLPOPUDQNLNXDA-UHFFFAOYSA-N 0 0 430.534 -0.997 20 30 IBEDRN CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1CCN1CCOCC1 ZINC000838533477 1073077446 /nfs/dbraw/zinc/07/74/46/1073077446.db2.gz IUPZNQJPEWCSKO-UHFFFAOYSA-N 0 0 444.561 -0.749 20 30 IBEDRN Cn1cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CCN3CCOCC3)c2=O)cn1 ZINC000838533550 1073077552 /nfs/dbraw/zinc/07/75/52/1073077552.db2.gz KAAYUPJOTCPKQJ-UHFFFAOYSA-N 0 0 442.545 -0.899 20 30 IBEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1CCN1CCOCC1 ZINC000838533565 1073077465 /nfs/dbraw/zinc/07/74/65/1073077465.db2.gz KDMFBDWSHFJQDG-UHFFFAOYSA-N 0 0 444.561 -0.605 20 30 IBEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1CCN1CCOCC1 ZINC000838534114 1073077387 /nfs/dbraw/zinc/07/73/87/1073077387.db2.gz MIZIIYZAJWNIAI-UHFFFAOYSA-N 0 0 430.534 -0.995 20 30 IBEDRN CN(C)S(=O)(=O)c1cccc(-n2c(=O)c(=Cc3cnn(C)c3)sc2=C(C#N)C#N)c1 ZINC000838732984 1073077844 /nfs/dbraw/zinc/07/78/44/1073077844.db2.gz ALLXZVFBWSEEGW-UHFFFAOYSA-N 0 0 440.510 -0.091 20 30 IBEDRN Cn1c(=O)c2cc(NC(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)cnc2n(C)c1=O ZINC000838955051 1073077958 /nfs/dbraw/zinc/07/79/58/1073077958.db2.gz YVZMJBDTMCPUKF-UHFFFAOYSA-N 0 0 442.457 -0.301 20 30 IBEDRN C#CCNS(=O)(=O)c1cccc(C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)c1 ZINC000838971018 1073077831 /nfs/dbraw/zinc/07/78/31/1073077831.db2.gz DTMHKLKWBLRZBE-UHFFFAOYSA-N 0 0 427.442 -0.204 20 30 IBEDRN Cn1c(=O)c2cc(NC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)cnc2n(C)c1=O ZINC000838973092 1073077942 /nfs/dbraw/zinc/07/79/42/1073077942.db2.gz XDGIKJMRDQIWNW-UHFFFAOYSA-N 0 0 428.430 -0.691 20 30 IBEDRN C#CCNS(=O)(=O)c1ccc(C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)cc1 ZINC000838976265 1073078138 /nfs/dbraw/zinc/07/81/38/1073078138.db2.gz HFKSKTKPNPKQAH-UHFFFAOYSA-N 0 0 427.442 -0.204 20 30 IBEDRN CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCC(=O)N1CCNC(=O)C1 ZINC000839221686 1073078555 /nfs/dbraw/zinc/07/85/55/1073078555.db2.gz AAZNIGQONXJOST-AWEZNQCLSA-N 0 0 436.490 -0.215 20 30 IBEDRN CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCC(=O)N1CCNC(=O)C1 ZINC000839221698 1073078652 /nfs/dbraw/zinc/07/86/52/1073078652.db2.gz AAZNIGQONXJOST-CQSZACIVSA-N 0 0 436.490 -0.215 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc(OC)cc1 ZINC000839263892 1073078937 /nfs/dbraw/zinc/07/89/37/1073078937.db2.gz UAFVTLIVGOOBQQ-UHFFFAOYSA-N 0 0 439.497 -0.093 20 30 IBEDRN CCCCn1c(=O)c(=Cc2cnn(C)c2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000839286524 1073078920 /nfs/dbraw/zinc/07/89/20/1073078920.db2.gz SVLAVLHPGRRTTQ-UHFFFAOYSA-N 0 0 444.561 -0.605 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1cccc(OC)c1 ZINC000839303404 1073078911 /nfs/dbraw/zinc/07/89/11/1073078911.db2.gz RKCRXHJVVZLBRI-UHFFFAOYSA-N 0 0 439.497 -0.093 20 30 IBEDRN COC(=O)CCCn1c(=O)c(=Cc2cnn(C)c2)sc1=C(C#N)C(=O)NCC(C)C ZINC000839328465 1073078995 /nfs/dbraw/zinc/07/89/95/1073078995.db2.gz BINDMEFESUHZSJ-UHFFFAOYSA-N 0 0 431.518 -0.128 20 30 IBEDRN COC(=O)CCCn1c(=O)c(=Cc2cnn(C)c2)sc1=C(C#N)C(=O)N1CCCC1 ZINC000839328702 1073078930 /nfs/dbraw/zinc/07/89/30/1073078930.db2.gz HNGWJSBRBIJGPM-UHFFFAOYSA-N 0 0 429.502 -0.278 20 30 IBEDRN CSCCCn1c(=O)c(=Cc2cnn(C)c2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000839370766 1073079023 /nfs/dbraw/zinc/07/90/23/1073079023.db2.gz QSTRZNFKKRUADW-UHFFFAOYSA-N 0 0 433.559 -0.242 20 30 IBEDRN C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000842271777 1073362131 /nfs/dbraw/zinc/36/21/31/1073362131.db2.gz MRKZPHYJIBCZPH-INIZCTEOSA-N 0 0 425.532 -0.457 20 30 IBEDRN C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000842271778 1073362559 /nfs/dbraw/zinc/36/25/59/1073362559.db2.gz MRKZPHYJIBCZPH-MRXNPFEDSA-N 0 0 425.532 -0.457 20 30 IBEDRN COCCN(C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000843473632 1073097035 /nfs/dbraw/zinc/09/70/35/1073097035.db2.gz KTIZEUWOILLHPG-CYBMUJFWSA-N 0 0 429.520 -0.223 20 30 IBEDRN COCCN(C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)[C@H]1CCS(=O)(=O)C1 ZINC000843473636 1073097108 /nfs/dbraw/zinc/09/71/08/1073097108.db2.gz KTIZEUWOILLHPG-ZDUSSCGKSA-N 0 0 429.520 -0.223 20 30 IBEDRN CN(C)CCN(C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)[C@H]1CCS(=O)(=O)C1 ZINC000843475044 1073097216 /nfs/dbraw/zinc/09/72/16/1073097216.db2.gz WQEXBQHQUCUDJT-AWEZNQCLSA-N 0 0 442.563 -0.308 20 30 IBEDRN CN(C)CCN(C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000843475045 1073097191 /nfs/dbraw/zinc/09/71/91/1073097191.db2.gz WQEXBQHQUCUDJT-CQSZACIVSA-N 0 0 442.563 -0.308 20 30 IBEDRN CC(C)NC(=O)C(=O)N1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC000843759242 1072167732 /nfs/dbraw/zinc/16/77/32/1072167732.db2.gz LFXIHQJWEVHANL-UHFFFAOYSA-N 0 0 449.533 -0.299 20 30 IBEDRN CNC(=O)C(C#N)=c1sc(=Cc2ccc(-n3cncn3)c(F)c2)c(=O)n1CCOC ZINC000844254189 1074069945 /nfs/dbraw/zinc/06/99/45/1074069945.db2.gz IVSIELXGFKOIFP-UHFFFAOYSA-N 0 0 428.449 -0.475 20 30 IBEDRN C=CCNC(=O)NC(=O)COC(=O)CN(C)S(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000849120845 1074363763 /nfs/dbraw/zinc/36/37/63/1074363763.db2.gz BCLLOSFPBUCXEG-UHFFFAOYSA-N 0 0 426.451 -0.180 20 30 IBEDRN C#CCNC(=O)[C@H](C)OC(=O)[C@H](CO)NS(=O)(=O)c1ccc(Br)cc1 ZINC000852650434 1074422366 /nfs/dbraw/zinc/42/23/66/1074422366.db2.gz CQYWNOAHEPTSBW-GWCFXTLKSA-N 0 0 433.280 -0.231 20 30 IBEDRN C#CCNC(=O)[C@H](C)OC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Br)cc1 ZINC000852650435 1074422359 /nfs/dbraw/zinc/42/23/59/1074422359.db2.gz CQYWNOAHEPTSBW-GXFFZTMASA-N 0 0 433.280 -0.231 20 30 IBEDRN C#CCNC(=O)[C@@H](C)OC(=O)[C@H](CO)NS(=O)(=O)c1ccc(Br)cc1 ZINC000852650436 1074422364 /nfs/dbraw/zinc/42/23/64/1074422364.db2.gz CQYWNOAHEPTSBW-MFKMUULPSA-N 0 0 433.280 -0.231 20 30 IBEDRN C#CCNC(=O)[C@@H](C)OC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Br)cc1 ZINC000852650437 1074422293 /nfs/dbraw/zinc/42/22/93/1074422293.db2.gz CQYWNOAHEPTSBW-ZWNOBZJWSA-N 0 0 433.280 -0.231 20 30 IBEDRN C#CCNC(=O)[C@H](C)OC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000852964176 1074422686 /nfs/dbraw/zinc/42/26/86/1074422686.db2.gz OXCHSNPGNFHTQV-INIZCTEOSA-N 0 0 435.502 -0.019 20 30 IBEDRN C#CCNC(=O)[C@@H](C)OC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000852964177 1074422880 /nfs/dbraw/zinc/42/28/80/1074422880.db2.gz OXCHSNPGNFHTQV-MRXNPFEDSA-N 0 0 435.502 -0.019 20 30 IBEDRN CC(=O)N1CCN(C(=O)[C@@H](C)OC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC000853670363 1074426171 /nfs/dbraw/zinc/42/61/71/1074426171.db2.gz JKRIAYSPWDFGOK-CYBMUJFWSA-N 0 0 436.490 -0.262 20 30 IBEDRN CC(=O)N1CCN(C(=O)[C@H](C)OC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC000853670364 1074426189 /nfs/dbraw/zinc/42/61/89/1074426189.db2.gz JKRIAYSPWDFGOK-ZDUSSCGKSA-N 0 0 436.490 -0.262 20 30 IBEDRN C[C@@H](OC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC(C(N)=O)CC1 ZINC000853671434 1074426227 /nfs/dbraw/zinc/42/62/27/1074426227.db2.gz SCPKUPSAHHXLMJ-GFCCVEGCSA-N 0 0 436.490 -0.229 20 30 IBEDRN C[C@H](OC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC(C(N)=O)CC1 ZINC000853671435 1074426127 /nfs/dbraw/zinc/42/61/27/1074426127.db2.gz SCPKUPSAHHXLMJ-LBPRGKRZSA-N 0 0 436.490 -0.229 20 30 IBEDRN C[C@H](OC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000853671819 1074426225 /nfs/dbraw/zinc/42/62/25/1074426225.db2.gz JKGVBBDYDSCDAF-QWHCGFSZSA-N 0 0 436.490 -0.229 20 30 IBEDRN C[C@H](OC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000853671820 1074426211 /nfs/dbraw/zinc/42/62/11/1074426211.db2.gz JKGVBBDYDSCDAF-STQMWFEESA-N 0 0 436.490 -0.229 20 30 IBEDRN C[C@@H](OC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)CC(=O)NC1CC1 ZINC000853672044 1074426808 /nfs/dbraw/zinc/42/68/08/1074426808.db2.gz TZDVHAPMBFZGNZ-GFCCVEGCSA-N 0 0 436.490 -0.216 20 30 IBEDRN C[C@H](OC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)CC(=O)NC1CC1 ZINC000853672045 1074426732 /nfs/dbraw/zinc/42/67/32/1074426732.db2.gz TZDVHAPMBFZGNZ-LBPRGKRZSA-N 0 0 436.490 -0.216 20 30 IBEDRN O=C(COC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)NCC(=O)N1CCCC1 ZINC000853706564 1074426831 /nfs/dbraw/zinc/42/68/31/1074426831.db2.gz MPYVZSKHDIYDOH-UHFFFAOYSA-N 0 0 436.490 -0.213 20 30 IBEDRN C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCN(c3cnccn3)CC2)cc1 ZINC000858005202 1074445623 /nfs/dbraw/zinc/44/56/23/1074445623.db2.gz DMIMSPMCQRYWCD-UHFFFAOYSA-N 0 0 443.485 -0.106 20 30 IBEDRN O=c1c(C=NNC(=S)NCCN2CCOCC2)c(N2CCOCC2)nc2ccccn21 ZINC000873969360 1074467003 /nfs/dbraw/zinc/46/70/03/1074467003.db2.gz BGSXXSVVIHFEMY-UHFFFAOYSA-N 0 0 445.549 -0.339 20 30 IBEDRN Nc1nc(Cl)c(C=NNC(=S)NCCN2CCOCC2)c(N2CCOCC2)n1 ZINC000873971570 1074466903 /nfs/dbraw/zinc/46/69/03/1074466903.db2.gz NJOMWFFJCSQWKH-UHFFFAOYSA-N 0 0 428.950 -0.321 20 30 IBEDRN CC(C)N1C/C(=C\c2cn(C)c(=O)n(C)c2=O)C(=O)/C(=C/c2cn(C)c(=O)n(C)c2=O)C1 ZINC000884003385 1074475173 /nfs/dbraw/zinc/47/51/73/1074475173.db2.gz PMSIJTLHLXKWOF-IROCBMIISA-N 0 0 441.488 -0.759 20 30 IBEDRN CC(C)N1C/C(=C\c2cn(C)c(=O)n(C)c2=O)C(=O)/C(=C\c2cn(C)c(=O)n(C)c2=O)C1 ZINC000884003386 1074475211 /nfs/dbraw/zinc/47/52/11/1074475211.db2.gz PMSIJTLHLXKWOF-UFSWOOAPSA-N 0 0 441.488 -0.759 20 30 IBEDRN CC(C)N1C/C(=C/c2cn(C)c(=O)n(C)c2=O)C(=O)/C(=C\c2cn(C)c(=O)n(C)c2=O)C1 ZINC000884003387 1074475221 /nfs/dbraw/zinc/47/52/21/1074475221.db2.gz PMSIJTLHLXKWOF-UOUVAZQYSA-N 0 0 441.488 -0.759 20 30 IBEDRN C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)Cn1cc(S(=O)(=O)N(CC)CC)ccc1=O ZINC000891973019 1071046704 /nfs/dbraw/zinc/04/67/04/1071046704.db2.gz OAZMPNYJUQUSLC-CYBMUJFWSA-N 0 0 442.494 -0.178 20 30 IBEDRN C=CCNC(=O)NC(=O)[C@H](C)OC(=O)Cn1cc(S(=O)(=O)N(CC)CC)ccc1=O ZINC000891973023 1071046633 /nfs/dbraw/zinc/04/66/33/1071046633.db2.gz OAZMPNYJUQUSLC-ZDUSSCGKSA-N 0 0 442.494 -0.178 20 30 IBEDRN C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000894122741 1071565588 /nfs/dbraw/zinc/56/55/88/1071565588.db2.gz XHMAIZQOGWQNSL-GFCCVEGCSA-N 0 0 440.478 -0.390 20 30 IBEDRN C=CCNC(=O)NC(=O)[C@H](C)OC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000894122744 1071566061 /nfs/dbraw/zinc/56/60/61/1071566061.db2.gz XHMAIZQOGWQNSL-LBPRGKRZSA-N 0 0 440.478 -0.390 20 30 IBEDRN C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C ZINC000895732652 1072533265 /nfs/dbraw/zinc/53/32/65/1072533265.db2.gz MNHWXELTSJOSTF-GFCCVEGCSA-N 0 0 428.467 -0.397 20 30 IBEDRN C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C ZINC000895732653 1072533412 /nfs/dbraw/zinc/53/34/12/1072533412.db2.gz MNHWXELTSJOSTF-LBPRGKRZSA-N 0 0 428.467 -0.397 20 30 IBEDRN C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000898780627 1073328196 /nfs/dbraw/zinc/32/81/96/1073328196.db2.gz YXCKTKFPMLRRRQ-LLVKDONJSA-N 0 0 426.451 -0.133 20 30 IBEDRN C=CCNC(=O)NC(=O)[C@H](C)OC(=O)CNS(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000898780628 1073328145 /nfs/dbraw/zinc/32/81/45/1073328145.db2.gz YXCKTKFPMLRRRQ-NSHDSACASA-N 0 0 426.451 -0.133 20 30 IBEDRN C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1cc(S(=O)(=O)N(C)C)ccc1NCCO ZINC000901130095 1072674376 /nfs/dbraw/zinc/67/43/76/1072674376.db2.gz CLTROPSJJGYWKJ-GFCCVEGCSA-N 0 0 442.494 -0.102 20 30 IBEDRN C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1cc(S(=O)(=O)N(C)C)ccc1NCCO ZINC000901130114 1072674170 /nfs/dbraw/zinc/67/41/70/1072674170.db2.gz CLTROPSJJGYWKJ-LBPRGKRZSA-N 0 0 442.494 -0.102 20 30 IBEDRN C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1 ZINC000901223751 1072675462 /nfs/dbraw/zinc/67/54/62/1072675462.db2.gz LEQYMUHNAMOSOB-GFCCVEGCSA-N 0 0 440.478 -0.272 20 30 IBEDRN C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1 ZINC000901223752 1072675473 /nfs/dbraw/zinc/67/54/73/1072675473.db2.gz LEQYMUHNAMOSOB-LBPRGKRZSA-N 0 0 440.478 -0.272 20 30 IBEDRN O=c1[nH]c(=O)n(CCO)cc1-c1noc(CCCN=C2NS(=O)(=O)c3ccccc32)n1 ZINC000904860529 1073510906 /nfs/dbraw/zinc/51/09/06/1073510906.db2.gz PECXDYYKNKJSEL-UHFFFAOYSA-N 0 0 446.445 -0.338 20 30 IBEDRN COC(=O)c1c[nH]nc1S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000912531373 1073612273 /nfs/dbraw/zinc/61/22/73/1073612273.db2.gz WYGKDUFPHBPPMK-UHFFFAOYSA-N 0 0 439.475 -0.237 20 30 IBEDRN O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000912660190 1073617091 /nfs/dbraw/zinc/61/70/91/1073617091.db2.gz XGQGJWHMJGBOAE-KBPBESRZSA-N 0 0 441.531 -0.080 20 30 IBEDRN O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000912660191 1073617063 /nfs/dbraw/zinc/61/70/63/1073617063.db2.gz XGQGJWHMJGBOAE-KGLIPLIRSA-N 0 0 441.531 -0.080 20 30 IBEDRN N#CCCN(CCC#N)C(=O)COC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000912684759 1073619047 /nfs/dbraw/zinc/61/90/47/1073619047.db2.gz BLHVILXRDOTSHS-UHFFFAOYSA-N 0 0 447.473 -0.380 20 30 IBEDRN C[C@@](C#N)(NC(=O)COC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)C1CC1 ZINC000912685489 1073619656 /nfs/dbraw/zinc/61/96/56/1073619656.db2.gz MFUFHACXTFTBFJ-IBGZPJMESA-N 0 0 434.474 -0.228 20 30 IBEDRN C[C@](C#N)(NC(=O)COC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)C1CC1 ZINC000912685490 1073619757 /nfs/dbraw/zinc/61/97/57/1073619757.db2.gz MFUFHACXTFTBFJ-LJQANCHMSA-N 0 0 434.474 -0.228 20 30 IBEDRN C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000912686251 1073620362 /nfs/dbraw/zinc/62/03/62/1073620362.db2.gz OCJUWBIDOAFWHH-GFCCVEGCSA-N 0 0 438.462 -0.636 20 30 IBEDRN C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000912686252 1073620348 /nfs/dbraw/zinc/62/03/48/1073620348.db2.gz OCJUWBIDOAFWHH-LBPRGKRZSA-N 0 0 438.462 -0.636 20 30 IBEDRN CN1CC[C@H](C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1=O ZINC000912703464 1073621079 /nfs/dbraw/zinc/62/10/79/1073621079.db2.gz JMXJVFHWFILAMR-HNNXBMFYSA-N 0 0 448.501 -0.197 20 30 IBEDRN CN1CC[C@@H](C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1=O ZINC000912703465 1073621759 /nfs/dbraw/zinc/62/17/59/1073621759.db2.gz JMXJVFHWFILAMR-OAHLLOKOSA-N 0 0 448.501 -0.197 20 30 IBEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(CC(=O)N3CCCC[C@H]3C)CC2)c1=O ZINC000913061876 1073651453 /nfs/dbraw/zinc/65/14/53/1073651453.db2.gz CRDXFOARVQQLBG-GOSISDBHSA-N 0 0 446.552 -0.480 20 30 IBEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)c1=O ZINC000913061877 1073651477 /nfs/dbraw/zinc/65/14/77/1073651477.db2.gz CRDXFOARVQQLBG-SFHVURJKSA-N 0 0 446.552 -0.480 20 30 IBEDRN N#Cc1ccccc1S(=O)(=O)NCC(=O)OCC(=O)N1CCN(c2cnccn2)CC1 ZINC000913173512 1073654931 /nfs/dbraw/zinc/65/49/31/1073654931.db2.gz GBQFTZITWKQARQ-UHFFFAOYSA-N 0 0 444.473 -0.481 20 30 IBEDRN N#Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N2CCN(c3cnccn3)CC2)cc1 ZINC000913241228 1073657576 /nfs/dbraw/zinc/65/75/76/1073657576.db2.gz WFBBNSZERQVDSE-UHFFFAOYSA-N 0 0 444.473 -0.481 20 30 IBEDRN COC(=O)CNC(=O)[C@@H](C)OC(=O)[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(C)C ZINC000913675130 1072585954 /nfs/dbraw/zinc/58/59/54/1072585954.db2.gz BBWQUFKVTCRDEL-ABAIWWIYSA-N 0 0 425.463 -0.029 20 30 IBEDRN COC(=O)CNC(=O)[C@H](C)OC(=O)[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(C)C ZINC000913675131 1072585700 /nfs/dbraw/zinc/58/57/00/1072585700.db2.gz BBWQUFKVTCRDEL-NHYWBVRUSA-N 0 0 425.463 -0.029 20 30 IBEDRN C=CCNS(=O)(=O)c1cc(C(=O)N2CCN(CC(=O)NCCOC)CC2)ccc1F ZINC000914470416 1072644386 /nfs/dbraw/zinc/64/43/86/1072644386.db2.gz HMMJADQBGAWJEX-UHFFFAOYSA-N 0 0 442.513 -0.190 20 30 IBEDRN CN(C)S(=O)(=O)N1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC000914493370 1072645362 /nfs/dbraw/zinc/64/53/62/1072645362.db2.gz RPSWOWKVQMVSKD-UHFFFAOYSA-N 0 0 429.524 -0.934 20 30 IBEDRN C=CCNS(=O)(=O)c1cc(C(=O)N2CCN(S(=O)(=O)N(C)C)CC2)ccc1F ZINC000914525349 1072648121 /nfs/dbraw/zinc/64/81/21/1072648121.db2.gz PMQFDZMMJLKJNL-UHFFFAOYSA-N 0 0 434.515 -0.146 20 30 IBEDRN Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(=NNC(=S)NCCN2CCOCC2)CC1 ZINC000914554624 1072650360 /nfs/dbraw/zinc/65/03/60/1072650360.db2.gz NXBBKRWAQXYSAA-UHFFFAOYSA-N 0 0 443.599 -0.037 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(OC)cc1 ZINC000914564789 1072650458 /nfs/dbraw/zinc/65/04/58/1072650458.db2.gz COXQQWABLIFFLU-UHFFFAOYSA-N 0 0 439.497 -0.093 20 30 IBEDRN CN(C)S(=O)(=O)c1cccc(-n2c(=O)c(=Cc3ccnn3C)sc2=C(C#N)C#N)c1 ZINC000914564799 1072650487 /nfs/dbraw/zinc/65/04/87/1072650487.db2.gz DNFHJPGSECTMNZ-UHFFFAOYSA-N 0 0 440.510 -0.091 20 30 IBEDRN COCCn1c(=O)c(=Cc2ccnn2C)sc1=C(C#N)C(=O)NCCCOC(C)C ZINC000914564943 1072650485 /nfs/dbraw/zinc/65/04/85/1072650485.db2.gz NBSVJGZNAXTYAO-UHFFFAOYSA-N 0 0 433.534 -0.276 20 30 IBEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC(C(=O)NCC(F)(F)F)CC2)c1=O ZINC000914570630 1072651083 /nfs/dbraw/zinc/65/10/83/1072651083.db2.gz YIJUTKFCVWYXNQ-UHFFFAOYSA-N 0 0 431.415 -0.108 20 30 IBEDRN C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC000914664955 1072661220 /nfs/dbraw/zinc/66/12/20/1072661220.db2.gz DBJHOQQWYHCUGH-GFCCVEGCSA-N 0 0 438.462 -0.636 20 30 IBEDRN C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC000914664956 1072661195 /nfs/dbraw/zinc/66/11/95/1072661195.db2.gz DBJHOQQWYHCUGH-LBPRGKRZSA-N 0 0 438.462 -0.636 20 30 IBEDRN C[C@@](C#N)(NC(=O)COC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1)C1CC1 ZINC000914665860 1072660666 /nfs/dbraw/zinc/66/06/66/1072660666.db2.gz APESIFOFDWEHAY-IBGZPJMESA-N 0 0 434.474 -0.228 20 30 IBEDRN C[C@](C#N)(NC(=O)COC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1)C1CC1 ZINC000914665876 1072660574 /nfs/dbraw/zinc/66/05/74/1072660574.db2.gz APESIFOFDWEHAY-LJQANCHMSA-N 0 0 434.474 -0.228 20 30 IBEDRN N#CCCN(CCC#N)C(=O)COC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC000914668954 1072661166 /nfs/dbraw/zinc/66/11/66/1072661166.db2.gz ZSHHTYHXKVYTOP-UHFFFAOYSA-N 0 0 447.473 -0.380 20 30 IBEDRN CCC(=O)N[C@@H](C)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000914673377 1072661695 /nfs/dbraw/zinc/66/16/95/1072661695.db2.gz CLPGTKCXHXMSRH-AWEZNQCLSA-N 0 0 436.490 -0.151 20 30 IBEDRN CCC(=O)N[C@H](C)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000914673378 1072661680 /nfs/dbraw/zinc/66/16/80/1072661680.db2.gz CLPGTKCXHXMSRH-CQSZACIVSA-N 0 0 436.490 -0.151 20 30 IBEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)/C=C\c3cn(C)c(=O)n(C)c3=O)CC2)o1 ZINC000914683969 1072662349 /nfs/dbraw/zinc/66/23/49/1072662349.db2.gz QPADIQLDUOHJSO-PLNGDYQASA-N 0 0 442.432 -0.843 20 30 IBEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)/C=C/c3cn(C)c(=O)n(C)c3=O)CC2)o1 ZINC000914683970 1072662360 /nfs/dbraw/zinc/66/23/60/1072662360.db2.gz QPADIQLDUOHJSO-SNAWJCMRSA-N 0 0 442.432 -0.843 20 30 IBEDRN CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@H](O)CN1CCOCC1 ZINC000914757692 1072664011 /nfs/dbraw/zinc/66/40/11/1072664011.db2.gz BTWVGGPZSNTNDA-RDJZCZTQSA-N 0 0 438.550 -0.051 20 30 IBEDRN CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H](O)CN1CCOCC1 ZINC000914757693 1072664086 /nfs/dbraw/zinc/66/40/86/1072664086.db2.gz BTWVGGPZSNTNDA-WBVHZDCISA-N 0 0 438.550 -0.051 20 30 IBEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(C(=O)c3ccc(OC)cc3)CC2)c1=O ZINC000914782404 1072664053 /nfs/dbraw/zinc/66/40/53/1072664053.db2.gz CPGNBZGJAGWSIZ-UHFFFAOYSA-N 0 0 441.488 -0.032 20 30 IBEDRN N#CCn1c(CN2CCN(S(=O)(=O)N3CCOCC3)CC2)nc2ccccc2c1=O ZINC000914788046 1072665108 /nfs/dbraw/zinc/66/51/08/1072665108.db2.gz TUDDRKBHVGRPEB-UHFFFAOYSA-N 0 0 432.506 -0.385 20 30 IBEDRN CCN1C[C@@H](C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1=O ZINC000914801848 1072665661 /nfs/dbraw/zinc/66/56/61/1072665661.db2.gz VENHHYQPQOONCW-INIZCTEOSA-N 0 0 448.501 -0.197 20 30 IBEDRN CCN1C[C@H](C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1=O ZINC000914801850 1072665634 /nfs/dbraw/zinc/66/56/34/1072665634.db2.gz VENHHYQPQOONCW-MRXNPFEDSA-N 0 0 448.501 -0.197 20 30 IBEDRN CN1C[C@@H](C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1=O ZINC000914806805 1072666331 /nfs/dbraw/zinc/66/63/31/1072666331.db2.gz UHQFKGWLANKFKS-HNNXBMFYSA-N 0 0 434.474 -0.587 20 30 IBEDRN CN1C[C@H](C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1=O ZINC000914806806 1072666316 /nfs/dbraw/zinc/66/63/16/1072666316.db2.gz UHQFKGWLANKFKS-OAHLLOKOSA-N 0 0 434.474 -0.587 20 30 IBEDRN CS(=O)(=O)N1CCCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC000914847367 1072668441 /nfs/dbraw/zinc/66/84/41/1072668441.db2.gz KITURRRJLYQEGW-UHFFFAOYSA-N 0 0 428.536 -0.001 20 30 IBEDRN N#Cc1ccc(NCCNC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)nc1 ZINC000914860606 1072669685 /nfs/dbraw/zinc/66/96/85/1072669685.db2.gz BBBNEOMZXVEIBO-UHFFFAOYSA-N 0 0 428.474 -0.084 20 30 IBEDRN N#Cc1ccc(NCCNC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)nc1 ZINC000914860885 1072669562 /nfs/dbraw/zinc/66/95/62/1072669562.db2.gz WVDYYYVQZLOBQO-UHFFFAOYSA-N 0 0 428.474 -0.084 20 30 IBEDRN C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)c1 ZINC000914878630 1072671076 /nfs/dbraw/zinc/67/10/76/1072671076.db2.gz MXQWHZQMWZWCAH-UHFFFAOYSA-N 0 0 434.518 -0.785 20 30 IBEDRN CCCC(=O)NCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000914987020 1072677315 /nfs/dbraw/zinc/67/73/15/1072677315.db2.gz NSRNCQCWXMSUPS-UHFFFAOYSA-N 0 0 436.490 -0.149 20 30 IBEDRN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)OCC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000914995971 1072677331 /nfs/dbraw/zinc/67/73/31/1072677331.db2.gz UOQVEMHWEZHUIF-UHFFFAOYSA-N 0 0 439.432 -0.444 20 30 IBEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)CNC(=O)C2CC2)CC1 ZINC000915011913 1072678376 /nfs/dbraw/zinc/67/83/76/1072678376.db2.gz IBWLIDUIFOSFTL-UHFFFAOYSA-N 0 0 434.474 -0.539 20 30 IBEDRN NC(=O)CNC(=O)c1cccc(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)c1 ZINC000915201625 1072685211 /nfs/dbraw/zinc/68/52/11/1072685211.db2.gz WYDZJNMJPDTUAZ-UHFFFAOYSA-N 0 0 429.458 -0.031 20 30 IBEDRN C#CCNS(=O)(=O)c1cccc(C(=O)NCCC(=O)N[C@H]2CCS(=O)(=O)C2)c1 ZINC000915296185 1072691890 /nfs/dbraw/zinc/69/18/90/1072691890.db2.gz CXJOOGIREXIZBD-AWEZNQCLSA-N 0 0 427.504 -0.979 20 30 IBEDRN C#CCNS(=O)(=O)c1cccc(C(=O)NCCC(=O)N[C@@H]2CCS(=O)(=O)C2)c1 ZINC000915296186 1072691919 /nfs/dbraw/zinc/69/19/19/1072691919.db2.gz CXJOOGIREXIZBD-CQSZACIVSA-N 0 0 427.504 -0.979 20 30 IBEDRN C#CCNS(=O)(=O)c1ccc(C(=O)NCCC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 ZINC000915296573 1072692641 /nfs/dbraw/zinc/69/26/41/1072692641.db2.gz MHKRACGNYHKOJM-AWEZNQCLSA-N 0 0 427.504 -0.979 20 30 IBEDRN C#CCNS(=O)(=O)c1ccc(C(=O)NCCC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000915296574 1072692407 /nfs/dbraw/zinc/69/24/07/1072692407.db2.gz MHKRACGNYHKOJM-CQSZACIVSA-N 0 0 427.504 -0.979 20 30 IBEDRN CC[C@]1(C)NC(=O)N(CC(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1=O ZINC000915366908 1072694808 /nfs/dbraw/zinc/69/48/08/1072694808.db2.gz KWVKWSNMSREYGN-IBGZPJMESA-N 0 0 432.437 -0.233 20 30 IBEDRN CC[C@@]1(C)NC(=O)N(CC(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1=O ZINC000915366913 1072694740 /nfs/dbraw/zinc/69/47/40/1072694740.db2.gz KWVKWSNMSREYGN-LJQANCHMSA-N 0 0 432.437 -0.233 20 30 IBEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CN3C(=O)N[C@@](C)(C4CC4)C3=O)CC2)o1 ZINC000915371093 1072694781 /nfs/dbraw/zinc/69/47/81/1072694781.db2.gz NXMOHHJJFRLXAA-FQEVSTJZSA-N 0 0 444.448 -0.233 20 30 IBEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CN3C(=O)N[C@](C)(C4CC4)C3=O)CC2)o1 ZINC000915371094 1072694769 /nfs/dbraw/zinc/69/47/69/1072694769.db2.gz NXMOHHJJFRLXAA-HXUWFJFHSA-N 0 0 444.448 -0.233 20 30 IBEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)Cn3nnc4ccccc4c3=O)CC2)o1 ZINC000915374142 1072694697 /nfs/dbraw/zinc/69/46/97/1072694697.db2.gz AOURUMGHAQLSPN-UHFFFAOYSA-N 0 0 437.416 -0.148 20 30 IBEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3cc(S(N)(=O)=O)cn3C)CC2)o1 ZINC000915374802 1072695246 /nfs/dbraw/zinc/69/52/46/1072695246.db2.gz YEXMNNQMJFSMSM-UHFFFAOYSA-N 0 0 436.450 -0.654 20 30 IBEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CN3C(=O)NC4(CCCC4)C3=O)CC2)o1 ZINC000915376617 1072695355 /nfs/dbraw/zinc/69/53/55/1072695355.db2.gz NLCOWUCWAQTSNO-UHFFFAOYSA-N 0 0 444.448 -0.089 20 30 IBEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CCN3C(=O)NC(C)(C)C3=O)CC2)o1 ZINC000915378017 1072695366 /nfs/dbraw/zinc/69/53/66/1072695366.db2.gz PWROULBUGMFNHD-UHFFFAOYSA-N 0 0 432.437 -0.233 20 30 IBEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)C3CCN(S(C)(=O)=O)CC3)CC2)o1 ZINC000915379426 1072695256 /nfs/dbraw/zinc/69/52/56/1072695256.db2.gz STLMXMCYITUAQU-UHFFFAOYSA-N 0 0 439.494 -0.282 20 30 IBEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@@H]3CCCN3S(C)(=O)=O)CC2)o1 ZINC000915379943 1072695288 /nfs/dbraw/zinc/69/52/88/1072695288.db2.gz DOJWKILXXYXEHE-AWEZNQCLSA-N 0 0 425.467 -0.530 20 30 IBEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CCCN3C(=O)CN(C)C3=O)CC2)o1 ZINC000915381223 1072695270 /nfs/dbraw/zinc/69/52/70/1072695270.db2.gz PBGBDVMGFBALEL-UHFFFAOYSA-N 0 0 432.437 -0.279 20 30 IBEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)Cn3cnc4c(cnn4C)c3=O)CC2)o1 ZINC000915384740 1072696290 /nfs/dbraw/zinc/69/62/90/1072696290.db2.gz KGIQSSJKGNFJBH-UHFFFAOYSA-N 0 0 440.420 -0.810 20 30 IBEDRN CNS(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)o1 ZINC000915416661 1072698760 /nfs/dbraw/zinc/69/87/60/1072698760.db2.gz JFEXCMCIXOUKHX-UHFFFAOYSA-N 0 0 437.434 -0.139 20 30 IBEDRN CNS(=O)(=O)c1c[nH]c(C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)c1 ZINC000915422500 1072699426 /nfs/dbraw/zinc/69/94/26/1072699426.db2.gz GCYRFLWFQPLRJC-UHFFFAOYSA-N 0 0 436.450 -0.404 20 30 IBEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)CN2CCCNC2=O)CC1 ZINC000915433770 1072700004 /nfs/dbraw/zinc/70/00/04/1072700004.db2.gz LCZPNXBTPADSOH-UHFFFAOYSA-N 0 0 449.489 -0.650 20 30 IBEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)CN2CCCCC2=O)CC1 ZINC000915456408 1072700992 /nfs/dbraw/zinc/70/09/92/1072700992.db2.gz BIKSCURZUYKFIA-UHFFFAOYSA-N 0 0 448.501 -0.053 20 30 IBEDRN N#Cc1ccc(S(=O)(=O)NCC(=O)NCC(=O)NCC(=O)NCc2ccccc2)cc1 ZINC000915598557 1072710424 /nfs/dbraw/zinc/71/04/24/1072710424.db2.gz RVEIEKVWFNHMQV-UHFFFAOYSA-N 0 0 443.485 -0.615 20 30 IBEDRN COCCn1c(=O)c(=Cc2ccsc2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000916198099 1072731398 /nfs/dbraw/zinc/73/13/98/1072731398.db2.gz CGJDWGJNUAPBNB-UHFFFAOYSA-N 0 0 448.570 -0.431 20 30 IBEDRN COCCn1c(=O)c(=Cc2ccccc2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000916198212 1072731454 /nfs/dbraw/zinc/73/14/54/1072731454.db2.gz GIHCTLPEQSDVSB-UHFFFAOYSA-N 0 0 442.541 -0.492 20 30 IBEDRN COCCn1c(=O)c(=Cc2cccs2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000916198218 1072731546 /nfs/dbraw/zinc/73/15/46/1072731546.db2.gz GNLAMZAVYPGIGI-UHFFFAOYSA-N 0 0 448.570 -0.431 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1CCOC ZINC000916198245 1072731584 /nfs/dbraw/zinc/73/15/84/1072731584.db2.gz HXXBSAKHCAGZKC-UHFFFAOYSA-N 0 0 432.458 -0.270 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2OC)c(=O)n1CCOC ZINC000916198247 1072731468 /nfs/dbraw/zinc/73/14/68/1072731468.db2.gz HZGGEBSEEXVOTJ-UHFFFAOYSA-N 0 0 447.513 -0.161 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(NC(C)=O)cc2)c(=O)n1CCOC ZINC000916198268 1072731636 /nfs/dbraw/zinc/73/16/36/1072731636.db2.gz IVBQODBQPCCSFC-UHFFFAOYSA-N 0 0 444.513 -0.220 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(OC)c2)c(=O)n1CCOC ZINC000916198535 1072731520 /nfs/dbraw/zinc/73/15/20/1072731520.db2.gz NLIMDJQTPBMXEZ-UHFFFAOYSA-N 0 0 447.513 -0.161 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2OC)c(=O)n1CCOC ZINC000916198573 1072731501 /nfs/dbraw/zinc/73/15/01/1072731501.db2.gz PFPDDHWCNOQWAU-UHFFFAOYSA-N 0 0 447.513 -0.161 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1CCOC ZINC000916198650 1072731684 /nfs/dbraw/zinc/73/16/84/1072731684.db2.gz RGLWULCJQCWBPL-UHFFFAOYSA-N 0 0 432.458 -0.270 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(=O)OC)cc2)c(=O)n1CCOC ZINC000916198675 1072731486 /nfs/dbraw/zinc/73/14/86/1072731486.db2.gz SLWIMJMXUZVXPH-UHFFFAOYSA-N 0 0 445.497 -0.392 20 30 IBEDRN COCCn1c(=O)c(=Cc2ccc(C)o2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000916198779 1072731439 /nfs/dbraw/zinc/73/14/39/1072731439.db2.gz WIPZJCXHGSBUIL-UHFFFAOYSA-N 0 0 446.529 -0.591 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1CCOC ZINC000916198805 1072731670 /nfs/dbraw/zinc/73/16/70/1072731670.db2.gz XKOVAVZGQFLQSP-UHFFFAOYSA-N 0 0 432.458 -0.270 20 30 IBEDRN COCCn1c(=O)c(=Cc2ccco2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000916198948 1072731407 /nfs/dbraw/zinc/73/14/07/1072731407.db2.gz YBAMMMVNZLSQCX-UHFFFAOYSA-N 0 0 432.502 -0.899 20 30 IBEDRN COCCn1c(=O)c(=Cc2ccc(OC)cc2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000916199154 1072731428 /nfs/dbraw/zinc/73/14/28/1072731428.db2.gz BNBCEDKUYFOZTP-UHFFFAOYSA-N 0 0 429.498 -0.073 20 30 IBEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccccn3)c(=O)n2CCOC)CC1 ZINC000916199247 1072731606 /nfs/dbraw/zinc/73/16/06/1072731606.db2.gz DEQDCBKWIBELMO-UHFFFAOYSA-N 0 0 427.530 -0.382 20 30 IBEDRN COCCn1c(=O)c(=Cc2cccc([N+](=O)[O-])c2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000916199270 1072731654 /nfs/dbraw/zinc/73/16/54/1072731654.db2.gz FOIMBEGYIIRGDL-UHFFFAOYSA-N 0 0 444.469 -0.174 20 30 IBEDRN COCCn1c(=O)c(=Cc2ccc([N+](=O)[O-])cc2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000916199463 1072731568 /nfs/dbraw/zinc/73/15/68/1072731568.db2.gz GXAVASHRKUHPHG-UHFFFAOYSA-N 0 0 444.469 -0.174 20 30 IBEDRN COCCn1c(=O)c(=Cc2cccc(OC)c2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000916199898 1072732213 /nfs/dbraw/zinc/73/22/13/1072732213.db2.gz MMAAKRPGUKTUFM-UHFFFAOYSA-N 0 0 429.498 -0.073 20 30 IBEDRN COCCn1c(=O)c(=Cc2ccccc2OC)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000916199984 1072732204 /nfs/dbraw/zinc/73/22/04/1072732204.db2.gz QNSSYMCBACSKFU-UHFFFAOYSA-N 0 0 429.498 -0.073 20 30 IBEDRN COCCn1c(=O)c(=Cc2ccccc2[N+](=O)[O-])sc1=C(C#N)C(=O)N1CCOCC1 ZINC000916199986 1072731967 /nfs/dbraw/zinc/73/19/67/1072731967.db2.gz QTGQCRDHQGNDJT-UHFFFAOYSA-N 0 0 444.469 -0.174 20 30 IBEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccncc3)c(=O)n2CCOC)CC1 ZINC000916200112 1072732226 /nfs/dbraw/zinc/73/22/26/1072732226.db2.gz ULTZQJGBKAJZBM-UHFFFAOYSA-N 0 0 427.530 -0.382 20 30 IBEDRN C=CCNS(=O)(=O)c1cc(C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)ccc1F ZINC000916409497 1072734927 /nfs/dbraw/zinc/73/49/27/1072734927.db2.gz ARWIQCGZBOSQTL-UHFFFAOYSA-N 0 0 438.481 -0.147 20 30 IBEDRN C=CCN1C(=O)c2ccc(C(=O)OCC(=O)NC(=O)N[C@@H]3CCS(=O)(=O)C3)cc2C1=O ZINC000916416034 1072736026 /nfs/dbraw/zinc/73/60/26/1072736026.db2.gz GUFHYYIJOSJGIU-GFCCVEGCSA-N 0 0 449.441 -0.362 20 30 IBEDRN C=CCN1C(=O)c2ccc(C(=O)OCC(=O)NC(=O)N[C@H]3CCS(=O)(=O)C3)cc2C1=O ZINC000916416035 1072735977 /nfs/dbraw/zinc/73/59/77/1072735977.db2.gz GUFHYYIJOSJGIU-LBPRGKRZSA-N 0 0 449.441 -0.362 20 30 IBEDRN C=CCNS(=O)(=O)c1cccc(C(=O)OCCn2cnc3c2c(=O)n(C)c(=O)n3C)c1 ZINC000916439771 1072736034 /nfs/dbraw/zinc/73/60/34/1072736034.db2.gz SDUAQFFHDMUVLH-UHFFFAOYSA-N 0 0 447.473 -0.245 20 30 IBEDRN CN1CCN(S(=O)(=O)N2CCN(C(=O)NCCNc3ccc(C#N)cn3)CC2)CC1 ZINC000916521227 1072738946 /nfs/dbraw/zinc/73/89/46/1072738946.db2.gz WAGZLKBMSBMTKF-UHFFFAOYSA-N 0 0 436.542 -0.815 20 30 IBEDRN CN1CCN(S(=O)(=O)N2CCN(C(=O)NCCNc3ncccc3C#N)CC2)CC1 ZINC000916640249 1072742387 /nfs/dbraw/zinc/74/23/87/1072742387.db2.gz QPZLARAXNXFUJD-UHFFFAOYSA-N 0 0 436.542 -0.815 20 30 IBEDRN CN1CCN(C(=O)C2CCN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CC2)CC1 ZINC000916659207 1072744607 /nfs/dbraw/zinc/74/46/07/1072744607.db2.gz OBVVEDZBRUGFBG-UHFFFAOYSA-N 0 0 433.534 -0.262 20 30 IBEDRN NC(=O)CNC(=O)c1ccc(CNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1 ZINC000916659277 1072745306 /nfs/dbraw/zinc/74/53/06/1072745306.db2.gz BIYIJAWHFFAZNM-UHFFFAOYSA-N 0 0 429.458 -0.743 20 30 IBEDRN C#CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(C(=O)NCC(N)=O)cc2)cc1 ZINC000916659401 1072745267 /nfs/dbraw/zinc/74/52/67/1072745267.db2.gz HKGBEFBXNVATFZ-UHFFFAOYSA-N 0 0 428.470 -0.257 20 30 IBEDRN C#CCNS(=O)(=O)c1cccc(C(=O)NCc2ccc(C(=O)NCC(N)=O)cc2)c1 ZINC000916659649 1072744079 /nfs/dbraw/zinc/74/40/79/1072744079.db2.gz VNQLALHUTOKWFC-UHFFFAOYSA-N 0 0 428.470 -0.257 20 30 IBEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000916661088 1072744141 /nfs/dbraw/zinc/74/41/41/1072744141.db2.gz MQNDMRGJUKCLKB-AWEZNQCLSA-N 0 0 433.533 -0.619 20 30 IBEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000916661089 1072744120 /nfs/dbraw/zinc/74/41/20/1072744120.db2.gz MQNDMRGJUKCLKB-CQSZACIVSA-N 0 0 433.533 -0.619 20 30 IBEDRN NC(=O)CNC(=O)c1ccc(CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)cc1 ZINC000916661389 1072744699 /nfs/dbraw/zinc/74/46/99/1072744699.db2.gz GKSWIPUHUKHYBQ-UHFFFAOYSA-N 0 0 443.485 -0.353 20 30 IBEDRN C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)c1 ZINC000916661638 1072744552 /nfs/dbraw/zinc/74/45/52/1072744552.db2.gz KDOCMGYBVCJPFC-UHFFFAOYSA-N 0 0 432.502 -0.495 20 30 IBEDRN C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)cc1 ZINC000916661658 1072744584 /nfs/dbraw/zinc/74/45/84/1072744584.db2.gz RKOGQTFHXFGUED-UHFFFAOYSA-N 0 0 432.502 -0.495 20 30 IBEDRN O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000916661683 1072744644 /nfs/dbraw/zinc/74/46/44/1072744644.db2.gz YWPMDCNZBYBZBG-UHFFFAOYSA-N 0 0 447.517 -0.592 20 30 IBEDRN CNC(=O)C(C#N)=c1sc(=Cc2cc(OC)c(OC)c(OC)c2)c(=O)n1CCOC ZINC000916664592 1072745294 /nfs/dbraw/zinc/74/52/94/1072745294.db2.gz KIJUMQHYXZKIMK-UHFFFAOYSA-N 0 0 433.486 -0.169 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)OCCO3)c(=O)n1CCOC ZINC000916664730 1072745275 /nfs/dbraw/zinc/74/52/75/1072745275.db2.gz YRFWRMFJUIFPFG-UHFFFAOYSA-N 0 0 445.497 -0.407 20 30 IBEDRN C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)cc1 ZINC000916732832 1072748039 /nfs/dbraw/zinc/74/80/39/1072748039.db2.gz BALNHKMKLMCPKE-UHFFFAOYSA-N 0 0 446.485 -0.969 20 30 IBEDRN C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)c1 ZINC000916732932 1072748046 /nfs/dbraw/zinc/74/80/46/1072748046.db2.gz LRQXROBJKCMLPN-UHFFFAOYSA-N 0 0 446.485 -0.969 20 30 IBEDRN Cn1c2ncn(CCOC(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)c2c(=O)n(C)c1=O ZINC000916833575 1072753081 /nfs/dbraw/zinc/75/30/81/1072753081.db2.gz UYTFKMGYFFEDQO-UHFFFAOYSA-N 0 0 445.457 -0.536 20 30 IBEDRN CCN1CCN(CC(=O)[C@H](C#N)C(=O)NCCc2ccc(OC)c(OC)c2)C(=O)C1=O ZINC000916923578 1072753963 /nfs/dbraw/zinc/75/39/63/1072753963.db2.gz MCEPLTHTYVXRQT-HNNXBMFYSA-N 0 0 430.461 -0.238 20 30 IBEDRN CCN1CCN(CC(=O)[C@@H](C#N)C(=O)NCCc2ccc(OC)c(OC)c2)C(=O)C1=O ZINC000916923579 1072753942 /nfs/dbraw/zinc/75/39/42/1072753942.db2.gz MCEPLTHTYVXRQT-OAHLLOKOSA-N 0 0 430.461 -0.238 20 30 IBEDRN COc1ccc(NC(=O)[C@H](C#N)C(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)cc1OC ZINC000916934016 1072754078 /nfs/dbraw/zinc/75/40/78/1072754078.db2.gz DETSVZANWGQKSU-GFCCVEGCSA-N 0 0 440.416 -0.202 20 30 IBEDRN COc1ccc(NC(=O)[C@@H](C#N)C(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)cc1OC ZINC000916934037 1072754054 /nfs/dbraw/zinc/75/40/54/1072754054.db2.gz DETSVZANWGQKSU-LBPRGKRZSA-N 0 0 440.416 -0.202 20 30 IBEDRN COc1ccc(NC(=O)[C@H](C#N)C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1OC ZINC000916935797 1072754018 /nfs/dbraw/zinc/75/40/18/1072754018.db2.gz WLROIQBOZCRRDL-GFCCVEGCSA-N 0 0 440.416 -0.202 20 30 IBEDRN COc1ccc(NC(=O)[C@@H](C#N)C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1OC ZINC000916935798 1072753973 /nfs/dbraw/zinc/75/39/73/1072753973.db2.gz WLROIQBOZCRRDL-LBPRGKRZSA-N 0 0 440.416 -0.202 20 30 IBEDRN Cn1cnc2c1c(=O)n(CC(=O)[C@@H](C#N)C(=O)Nc1ccc3c(c1)OCCO3)c(=O)n2C ZINC000916965480 1072754484 /nfs/dbraw/zinc/75/44/84/1072754484.db2.gz GRGOJZBSGDIKTP-GFCCVEGCSA-N 0 0 438.400 -0.448 20 30 IBEDRN Cn1cnc2c1c(=O)n(CC(=O)[C@H](C#N)C(=O)Nc1ccc3c(c1)OCCO3)c(=O)n2C ZINC000916965481 1072754670 /nfs/dbraw/zinc/75/46/70/1072754670.db2.gz GRGOJZBSGDIKTP-LBPRGKRZSA-N 0 0 438.400 -0.448 20 30 IBEDRN Cn1c2ncn(CC(=O)[C@@H](C#N)C(=O)Nc3ccc4c(c3)OCCO4)c2c(=O)n(C)c1=O ZINC000916967785 1072754646 /nfs/dbraw/zinc/75/46/46/1072754646.db2.gz YNEITNYJNNFUNW-GFCCVEGCSA-N 0 0 438.400 -0.448 20 30 IBEDRN Cn1c2ncn(CC(=O)[C@H](C#N)C(=O)Nc3ccc4c(c3)OCCO4)c2c(=O)n(C)c1=O ZINC000916967786 1072754676 /nfs/dbraw/zinc/75/46/76/1072754676.db2.gz YNEITNYJNNFUNW-LBPRGKRZSA-N 0 0 438.400 -0.448 20 30 IBEDRN CNC(=O)[C@@H](C#N)C(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C ZINC000917002045 1072754937 /nfs/dbraw/zinc/75/49/37/1072754937.db2.gz JOGSFCNOTREYJI-AWEZNQCLSA-N 0 0 433.490 -0.018 20 30 IBEDRN CNC(=O)[C@H](C#N)C(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C ZINC000917002046 1072755178 /nfs/dbraw/zinc/75/51/78/1072755178.db2.gz JOGSFCNOTREYJI-CQSZACIVSA-N 0 0 433.490 -0.018 20 30 IBEDRN Cn1c(=O)ccn(CC(=O)[C@H](C#N)C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1=O ZINC000917012753 1072755187 /nfs/dbraw/zinc/75/51/87/1072755187.db2.gz CLPABQPNEVKEOE-INIZCTEOSA-N 0 0 440.416 -0.487 20 30 IBEDRN Cn1c(=O)ccn(CC(=O)[C@@H](C#N)C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1=O ZINC000917012754 1072754979 /nfs/dbraw/zinc/75/49/79/1072754979.db2.gz CLPABQPNEVKEOE-MRXNPFEDSA-N 0 0 440.416 -0.487 20 30 IBEDRN Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1C=NNC(=S)NCCN1CCOCC1 ZINC000917025875 1072755634 /nfs/dbraw/zinc/75/56/34/1072755634.db2.gz RSSGNVGPASQEMI-HNNXBMFYSA-N 0 0 428.584 -0.010 20 30 IBEDRN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1C=NNC(=S)NCCN1CCOCC1 ZINC000917025876 1072755734 /nfs/dbraw/zinc/75/57/34/1072755734.db2.gz RSSGNVGPASQEMI-OAHLLOKOSA-N 0 0 428.584 -0.010 20 30 IBEDRN COc1ccc(CCNC(=O)[C@@H](C#N)C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000917034322 1072755620 /nfs/dbraw/zinc/75/56/20/1072755620.db2.gz KCLARZQGVDXOPI-HNNXBMFYSA-N 0 0 438.444 -0.490 20 30 IBEDRN COc1ccc(CCNC(=O)[C@H](C#N)C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000917034323 1072755535 /nfs/dbraw/zinc/75/55/35/1072755535.db2.gz KCLARZQGVDXOPI-OAHLLOKOSA-N 0 0 438.444 -0.490 20 30 IBEDRN COc1ccc(CCNC(=O)[C@@H](C#N)C(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)cc1 ZINC000917034517 1072755677 /nfs/dbraw/zinc/75/56/77/1072755677.db2.gz LKBKJFWKHDFGCM-HNNXBMFYSA-N 0 0 438.444 -0.490 20 30 IBEDRN COc1ccc(CCNC(=O)[C@H](C#N)C(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)cc1 ZINC000917034523 1072755519 /nfs/dbraw/zinc/75/55/19/1072755519.db2.gz LKBKJFWKHDFGCM-OAHLLOKOSA-N 0 0 438.444 -0.490 20 30 IBEDRN COc1ccc(CNC(=O)[C@@H](C#N)C(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000917037172 1072755646 /nfs/dbraw/zinc/75/56/46/1072755646.db2.gz WYAAEGOXARUARM-HNNXBMFYSA-N 0 0 438.444 -0.142 20 30 IBEDRN COc1ccc(CNC(=O)[C@H](C#N)C(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000917037173 1072755683 /nfs/dbraw/zinc/75/56/83/1072755683.db2.gz WYAAEGOXARUARM-OAHLLOKOSA-N 0 0 438.444 -0.142 20 30 IBEDRN C#Cc1cccc(NC(=O)CN(C)CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)c1 ZINC000917065183 1072756834 /nfs/dbraw/zinc/75/68/34/1072756834.db2.gz BOPMDRWZVSVSQP-IBGZPJMESA-N 0 0 432.546 -0.131 20 30 IBEDRN C#Cc1cccc(NC(=O)CN(C)CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c1 ZINC000917065184 1072756795 /nfs/dbraw/zinc/75/67/95/1072756795.db2.gz BOPMDRWZVSVSQP-LJQANCHMSA-N 0 0 432.546 -0.131 20 30 IBEDRN COC(=O)N1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 ZINC000917074711 1072756862 /nfs/dbraw/zinc/75/68/62/1072756862.db2.gz IGKOONSSYXLJSQ-UHFFFAOYSA-N 0 0 435.506 -0.225 20 30 IBEDRN N#C[C@@H](C(=O)CN1CCN(C(=O)CN2CCOCC2)CC1)c1nc2ccccc2c(=O)[nH]1 ZINC000917085460 1072757840 /nfs/dbraw/zinc/75/78/40/1072757840.db2.gz QZTCZXSIEVHSPM-KRWDZBQOSA-N 0 0 438.488 -0.012 20 30 IBEDRN N#C[C@H](C(=O)CN1CCN(C(=O)CN2CCOCC2)CC1)c1nc2ccccc2c(=O)[nH]1 ZINC000917085462 1072758006 /nfs/dbraw/zinc/75/80/06/1072758006.db2.gz QZTCZXSIEVHSPM-QGZVFWFLSA-N 0 0 438.488 -0.012 20 30 IBEDRN NC(=O)c1ccc(N2CCN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CC2)nc1 ZINC000917119021 1072759421 /nfs/dbraw/zinc/75/94/21/1072759421.db2.gz SCZQUILORDTPSN-UHFFFAOYSA-N 0 0 428.474 -0.432 20 30 IBEDRN NC(=O)c1ccc(N2CCN(C(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)CC2)nc1 ZINC000917119348 1072759499 /nfs/dbraw/zinc/75/94/99/1072759499.db2.gz ZXXGDCSVKBKCQT-UHFFFAOYSA-N 0 0 442.501 -0.042 20 30 IBEDRN CS(=O)(=O)NC[C@H]1CCCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1 ZINC000917128811 1072759855 /nfs/dbraw/zinc/75/98/55/1072759855.db2.gz FYUSNTQUDRKFAF-CYBMUJFWSA-N 0 0 428.536 -0.097 20 30 IBEDRN CS(=O)(=O)NC[C@@H]1CCCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1 ZINC000917128812 1072759757 /nfs/dbraw/zinc/75/97/57/1072759757.db2.gz FYUSNTQUDRKFAF-ZDUSSCGKSA-N 0 0 428.536 -0.097 20 30 IBEDRN O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCCN1CCS(=O)(=O)CC1 ZINC000917138847 1072761335 /nfs/dbraw/zinc/76/13/35/1072761335.db2.gz BHTUUEIIIKXZPE-UHFFFAOYSA-N 0 0 428.536 -0.648 20 30 IBEDRN CC(C)[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCN1CCS(=O)(=O)CC1 ZINC000917138895 1072761129 /nfs/dbraw/zinc/76/11/29/1072761129.db2.gz FKYZEOVSWYVPBR-INIZCTEOSA-N 0 0 442.563 -0.404 20 30 IBEDRN C#CCNC(=O)[C@H](C)N1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)CC1 ZINC000917140207 1072761173 /nfs/dbraw/zinc/76/11/73/1072761173.db2.gz KSRCYSPHYBRERC-HNNXBMFYSA-N 0 0 427.548 -0.157 20 30 IBEDRN C#CCNC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)CC1 ZINC000917140208 1072761245 /nfs/dbraw/zinc/76/12/45/1072761245.db2.gz KSRCYSPHYBRERC-OAHLLOKOSA-N 0 0 427.548 -0.157 20 30 IBEDRN Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCN(CC(=O)NCCC#N)CC1 ZINC000917140699 1072761941 /nfs/dbraw/zinc/76/19/41/1072761941.db2.gz WIMFWFDBBFPBHT-UHFFFAOYSA-N 0 0 428.536 -0.265 20 30 IBEDRN N#Cc1cccnc1NCCNC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000917159144 1072761816 /nfs/dbraw/zinc/76/18/16/1072761816.db2.gz HJRSGXYZRYTFSY-UHFFFAOYSA-N 0 0 428.474 -0.084 20 30 IBEDRN N#Cc1cccnc1NCCNC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC000917159363 1072761831 /nfs/dbraw/zinc/76/18/31/1072761831.db2.gz UYDWVUCAJXGJTN-UHFFFAOYSA-N 0 0 428.474 -0.084 20 30 IBEDRN O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCCS(=O)(=O)NCc1ccccc1 ZINC000917176872 1072762946 /nfs/dbraw/zinc/76/29/46/1072762946.db2.gz DZWRMBSOIMGXBW-UHFFFAOYSA-N 0 0 436.515 -0.039 20 30 IBEDRN O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000917200299 1072763224 /nfs/dbraw/zinc/76/32/24/1072763224.db2.gz DQGAZPPJBCQUSZ-UHFFFAOYSA-N 0 0 433.490 -0.935 20 30 IBEDRN O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000917201159 1072763373 /nfs/dbraw/zinc/76/33/73/1072763373.db2.gz LGNPGYYVUYLOKL-UHFFFAOYSA-N 0 0 447.517 -0.545 20 30 IBEDRN C=CCN1C(=O)c2ccc(C(=O)OCC(=O)N3CCN(CC(=O)N(C)C)CC3)cc2C1=O ZINC000917229761 1072766497 /nfs/dbraw/zinc/76/64/97/1072766497.db2.gz NNWBCJUWLJBAHA-UHFFFAOYSA-N 0 0 442.472 -0.142 20 30 IBEDRN COc1cc(CNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)ccc1OCC(N)=O ZINC000917253984 1072767493 /nfs/dbraw/zinc/76/74/93/1072767493.db2.gz CBKKUBWZXRLSAO-UHFFFAOYSA-N 0 0 432.458 -0.086 20 30 IBEDRN O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000917341769 1072768890 /nfs/dbraw/zinc/76/88/90/1072768890.db2.gz VWFXWUQTNFQQNR-UHFFFAOYSA-N 0 0 433.490 -0.982 20 30 IBEDRN COCCn1c(=O)c(=Cc2c(C)nn(C)c2C)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000917355935 1072769918 /nfs/dbraw/zinc/76/99/18/1072769918.db2.gz GBLFRURWSPFJGI-UHFFFAOYSA-N 0 0 431.518 -0.732 20 30 IBEDRN CCOCCCn1c(=O)c(=Cc2c(C)nn(C)c2C)sc1=C(C#N)C(=O)NCCOC ZINC000917356413 1072770351 /nfs/dbraw/zinc/77/03/51/1072770351.db2.gz KVVOTWOGQZBHLG-UHFFFAOYSA-N 0 0 447.561 -0.048 20 30 IBEDRN CCOCCCNC(=O)C(C#N)=c1sc(=Cc2c(C)nn(C)c2C)c(=O)n1CCOC ZINC000917356572 1072770347 /nfs/dbraw/zinc/77/03/47/1072770347.db2.gz MBYFFOUIPVUBAB-UHFFFAOYSA-N 0 0 447.561 -0.048 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2c(C)nn(C)c2C)c(=O)n1C[C@@H]1CCCO1 ZINC000917356827 1072770422 /nfs/dbraw/zinc/77/04/22/1072770422.db2.gz SYTBCBSDODLKIM-HNNXBMFYSA-N 0 0 445.545 -0.295 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2c(C)nn(C)c2C)c(=O)n1C[C@H]1CCCO1 ZINC000917356828 1072770379 /nfs/dbraw/zinc/77/03/79/1072770379.db2.gz SYTBCBSDODLKIM-OAHLLOKOSA-N 0 0 445.545 -0.295 20 30 IBEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2c(C)nn(C)c2C)c(=O)n1CCOC ZINC000917356986 1072770397 /nfs/dbraw/zinc/77/03/97/1072770397.db2.gz WQASPOJTYROZLI-UHFFFAOYSA-N 0 0 433.534 -0.438 20 30 IBEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(C(=O)c3ccccc3OC)CC2)c1=O ZINC000917450139 1072776610 /nfs/dbraw/zinc/77/66/10/1072776610.db2.gz PGEIWDXWLJPDRZ-UHFFFAOYSA-N 0 0 441.488 -0.032 20 30 IBEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(C(=O)Cc3ccccc3)CC2)c1=O ZINC000917457109 1072777186 /nfs/dbraw/zinc/77/71/86/1072777186.db2.gz ZZLHOLCFQBZTLW-UHFFFAOYSA-N 0 0 425.489 -0.112 20 30 IBEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC(NS(=O)(=O)CCC)CC2)c1=O ZINC000917459234 1072775722 /nfs/dbraw/zinc/77/57/22/1072775722.db2.gz ZKEULVWQULHLSB-UHFFFAOYSA-N 0 0 427.527 -0.705 20 30 IBEDRN Cn1c(=O)ccn(CC(=O)[C@H](C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)c1=O ZINC000917505424 1072779780 /nfs/dbraw/zinc/77/97/80/1072779780.db2.gz XVNSLBXVMRWDJZ-INIZCTEOSA-N 0 0 435.444 -0.159 20 30 IBEDRN Cn1c(=O)ccn(CC(=O)[C@@H](C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)c1=O ZINC000917505430 1072779706 /nfs/dbraw/zinc/77/97/06/1072779706.db2.gz XVNSLBXVMRWDJZ-MRXNPFEDSA-N 0 0 435.444 -0.159 20 30 IBEDRN C=CCn1c(=O)c(=Cc2cnc(C)s2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000917763225 1072789170 /nfs/dbraw/zinc/78/91/70/1072789170.db2.gz OTRHFJMMDHRSPW-UHFFFAOYSA-N 0 0 445.570 -0.188 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1CCOC ZINC000917768012 1072788326 /nfs/dbraw/zinc/78/83/26/1072788326.db2.gz AMRFMLHFSXOHEK-UHFFFAOYSA-N 0 0 433.534 -0.227 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2csc([N+](=O)[O-])c2)c(=O)n1CCOC ZINC000917768098 1072788153 /nfs/dbraw/zinc/78/81/53/1072788153.db2.gz BYCKXNDREGJYNI-UHFFFAOYSA-N 0 0 438.487 -0.208 20 30 IBEDRN COCCn1c(=O)c(=Cc2cnn(C(C)(C)C)c2)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000917768440 1072788725 /nfs/dbraw/zinc/78/87/25/1072788725.db2.gz GMLLYWHMJHDXOR-UHFFFAOYSA-N 0 0 445.545 -0.130 20 30 IBEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCO3)c(=O)n1CCOC ZINC000917768480 1072788692 /nfs/dbraw/zinc/78/86/92/1072788692.db2.gz HXQNFCDGZJIQOV-UHFFFAOYSA-N 0 0 445.497 -0.059 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCO3)c(=O)n1CCOC ZINC000917768726 1072788746 /nfs/dbraw/zinc/78/87/46/1072788746.db2.gz JQHPFDHESHOUPC-UHFFFAOYSA-N 0 0 431.470 -0.449 20 30 IBEDRN COCCn1c(=O)c(=Cc2cccc3c2OCO3)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000917769176 1072788777 /nfs/dbraw/zinc/78/87/77/1072788777.db2.gz UXOOATMDSFRCND-UHFFFAOYSA-N 0 0 443.481 -0.353 20 30 IBEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cnc(C)s3)c(=O)n2CCOC)CC1 ZINC000917769195 1072788654 /nfs/dbraw/zinc/78/86/54/1072788654.db2.gz VURSLKMGKHEXJH-UHFFFAOYSA-N 0 0 447.586 -0.012 20 30 IBEDRN Cc1ncc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCN3CCOCC3)c2=O)s1 ZINC000917769918 1072788861 /nfs/dbraw/zinc/78/88/61/1072788861.db2.gz RYTHUDJJUAEOQN-UHFFFAOYSA-N 0 0 445.570 -0.211 20 30 IBEDRN CNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1CCN1CCOCC1 ZINC000917770051 1072788737 /nfs/dbraw/zinc/78/87/37/1072788737.db2.gz ULZKOMIWLKUQKC-UHFFFAOYSA-N 0 0 444.561 -0.557 20 30 IBEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cnc(C)s2)c(=O)n1CCN1CCOCC1 ZINC000917770124 1072788872 /nfs/dbraw/zinc/78/88/72/1072788872.db2.gz XRZBCYFXMJYOMB-UHFFFAOYSA-N 0 0 445.570 -0.188 20 30 IBEDRN COCCn1c(=O)c(=Cc2ccc3c(c2)CCO3)sc1=C(C#N)C(=O)N1CCOCC1 ZINC000917770177 1072788703 /nfs/dbraw/zinc/78/87/03/1072788703.db2.gz GIULDUUCNVXZOU-UHFFFAOYSA-N 0 0 441.509 -0.147 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1CCOC ZINC000917770738 1072788757 /nfs/dbraw/zinc/78/87/57/1072788757.db2.gz OHCOXCXUYZEHEG-UHFFFAOYSA-N 0 0 429.498 -0.243 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCCO3)c(=O)n1CCOC ZINC000917771367 1072789226 /nfs/dbraw/zinc/78/92/26/1072789226.db2.gz VVCHYRHRSYGGNR-UHFFFAOYSA-N 0 0 445.497 -0.407 20 30 IBEDRN Cn1c(=O)c(=Cc2cnn(C(C)(C)C)c2)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC000917779860 1072789323 /nfs/dbraw/zinc/78/93/23/1072789323.db2.gz MFQYLILGLHLELX-UHFFFAOYSA-N 0 0 444.561 -0.650 20 30 IBEDRN Cc1ncc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C3CC3)c2=O)s1 ZINC000917790530 1072790386 /nfs/dbraw/zinc/79/03/86/1072790386.db2.gz AXBBMALFNGQLFU-UHFFFAOYSA-N 0 0 445.570 -0.039 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccccc1C#N ZINC000917798299 1072790483 /nfs/dbraw/zinc/79/04/83/1072790483.db2.gz AERNVQXDXFDTMP-UHFFFAOYSA-N 0 0 434.481 -0.230 20 30 IBEDRN Cn1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(-c3ccccc3C#N)c2=O)cn1 ZINC000917799993 1072790448 /nfs/dbraw/zinc/79/04/48/1072790448.db2.gz ULUZXOMQCVXASK-UHFFFAOYSA-N 0 0 446.492 -0.134 20 30 IBEDRN C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C(=O)N2CCOCC2)cc1 ZINC000917925340 1072793589 /nfs/dbraw/zinc/79/35/89/1072793589.db2.gz CNRRJQGQALDJES-INIZCTEOSA-N 0 0 426.516 -0.030 20 30 IBEDRN C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C(=O)N2CCOCC2)cc1 ZINC000917925343 1072793646 /nfs/dbraw/zinc/79/36/46/1072793646.db2.gz CNRRJQGQALDJES-MRXNPFEDSA-N 0 0 426.516 -0.030 20 30 IBEDRN C#CCNS(=O)(=O)c1cccc(C(=O)NCCN2CCN(c3ncccn3)CC2)c1 ZINC000918106239 1072800299 /nfs/dbraw/zinc/80/02/99/1072800299.db2.gz SIMGCAGJCBPQLB-UHFFFAOYSA-N 0 0 428.518 -0.060 20 30 IBEDRN O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCCN1CCN(c2ncccn2)CC1 ZINC000918106446 1072800192 /nfs/dbraw/zinc/80/01/92/1072800192.db2.gz XQMLZNFAYPIZRP-UHFFFAOYSA-N 0 0 429.506 -0.547 20 30 IBEDRN O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCCN1CCN(c2ncccn2)CC1 ZINC000918107333 1072800395 /nfs/dbraw/zinc/80/03/95/1072800395.db2.gz IIRLIEWCUSOCLZ-UHFFFAOYSA-N 0 0 443.533 -0.156 20 30 IBEDRN C#CCNS(=O)(=O)c1ccc(C(=O)NCCN2CCN(c3ncccn3)CC2)cc1 ZINC000918107591 1072800540 /nfs/dbraw/zinc/80/05/40/1072800540.db2.gz NQWARPZDIBSTOD-UHFFFAOYSA-N 0 0 428.518 -0.060 20 30 IBEDRN COCCn1c(=O)c(=Cc2ccc(S(C)(=O)=O)cc2)sc1=C(C#N)C(=O)NC1CC1 ZINC000918173364 1072802546 /nfs/dbraw/zinc/80/25/46/1072802546.db2.gz KHDTYJQSAFHAMZ-UHFFFAOYSA-N 0 0 447.538 -0.259 20 30 IBEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1CCOC ZINC000918174047 1072802326 /nfs/dbraw/zinc/80/23/26/1072802326.db2.gz QORJYYVUFZZILD-UHFFFAOYSA-N 0 0 447.538 -0.235 20 30 IBEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1CCOC ZINC000918174681 1072802575 /nfs/dbraw/zinc/80/25/75/1072802575.db2.gz VSVUKOCEPFIBKQ-UHFFFAOYSA-N 0 0 449.554 -0.011 20 30 IBEDRN COCCn1c(=O)c(=Cc2ccc(S(C)(=O)=O)cc2)sc1=C(C#N)C(=O)NC(C)C ZINC000918175244 1072802495 /nfs/dbraw/zinc/80/24/95/1072802495.db2.gz WJNLRKCQFCKITJ-UHFFFAOYSA-N 0 0 449.554 -0.013 20 30 IBEDRN CS(=O)(=O)c1ccc(C=c2sc(=C(C#N)C#N)n(CCN3CCOCC3)c2=O)cc1 ZINC000918175248 1072802406 /nfs/dbraw/zinc/80/24/06/1072802406.db2.gz WNFCGKXULPPUNN-UHFFFAOYSA-N 0 0 444.538 -0.328 20 30 IBEDRN CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCCN2CCOCC2)c1 ZINC000918238267 1072803840 /nfs/dbraw/zinc/80/38/40/1072803840.db2.gz OPUNOBKLKQFVJC-OQKWZONESA-N 0 0 437.522 -0.114 20 30 IBEDRN CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCCN2CCOCC2)c1 ZINC000918238268 1072803675 /nfs/dbraw/zinc/80/36/75/1072803675.db2.gz OPUNOBKLKQFVJC-XLNRJJMWSA-N 0 0 437.522 -0.114 20 30 IBEDRN CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NCCN2CCOCC2)cc1 ZINC000918238278 1072803876 /nfs/dbraw/zinc/80/38/76/1072803876.db2.gz OWZNHFOCPZAMIC-OQKWZONESA-N 0 0 437.522 -0.114 20 30 IBEDRN CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NCCN2CCOCC2)cc1 ZINC000918238279 1072803936 /nfs/dbraw/zinc/80/39/36/1072803936.db2.gz OWZNHFOCPZAMIC-XLNRJJMWSA-N 0 0 437.522 -0.114 20 30 IBEDRN CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(=O)NCCCc1[nH]nc(N)c1C#N ZINC000918239214 1072803771 /nfs/dbraw/zinc/80/37/71/1072803771.db2.gz CYNNZDKANKWHBT-UHFFFAOYSA-N 0 0 445.505 -0.248 20 30 IBEDRN COCCNC(=O)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 ZINC000918248281 1072804560 /nfs/dbraw/zinc/80/45/60/1072804560.db2.gz ISLOAGZBQYNZBY-JCMHNJIXSA-N 0 0 439.494 -0.683 20 30 IBEDRN COCCNC(=O)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 ZINC000918248283 1072804258 /nfs/dbraw/zinc/80/42/58/1072804258.db2.gz ISLOAGZBQYNZBY-PXLXIMEGSA-N 0 0 439.494 -0.683 20 30 IBEDRN COCCNC(=O)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 ZINC000918249770 1072804547 /nfs/dbraw/zinc/80/45/47/1072804547.db2.gz ZVZYHXLHQWNNTC-JCMHNJIXSA-N 0 0 439.494 -0.683 20 30 IBEDRN COCCNC(=O)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 ZINC000918249771 1072804441 /nfs/dbraw/zinc/80/44/41/1072804441.db2.gz ZVZYHXLHQWNNTC-PXLXIMEGSA-N 0 0 439.494 -0.683 20 30 IBEDRN CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NCCNS(C)(=O)=O)cc1 ZINC000918255647 1072804320 /nfs/dbraw/zinc/80/43/20/1072804320.db2.gz ULTJEFATSUEHPV-XSFVSMFZSA-N 0 0 445.523 -0.897 20 30 IBEDRN CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NCCNS(C)(=O)=O)cc1 ZINC000918255685 1072804276 /nfs/dbraw/zinc/80/42/76/1072804276.db2.gz ULTJEFATSUEHPV-ZHZULCJRSA-N 0 0 445.523 -0.897 20 30 IBEDRN CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCCNS(C)(=O)=O)c1 ZINC000918256088 1072804675 /nfs/dbraw/zinc/80/46/75/1072804675.db2.gz ZZJRHMFMFZDQBX-XSFVSMFZSA-N 0 0 445.523 -0.897 20 30 IBEDRN CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCCNS(C)(=O)=O)c1 ZINC000918256090 1072804915 /nfs/dbraw/zinc/80/49/15/1072804915.db2.gz ZZJRHMFMFZDQBX-ZHZULCJRSA-N 0 0 445.523 -0.897 20 30 IBEDRN N#CCOc1cccc(NC(=O)C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)c1 ZINC000918315927 1072807336 /nfs/dbraw/zinc/80/73/36/1072807336.db2.gz QRVNFXJZMRMPPM-UHFFFAOYSA-N 0 0 429.433 -0.943 20 30 IBEDRN N#Cc1ccc(N2CCN(C(=O)C3=NN([C@H]4CCS(=O)(=O)C4)C(=O)CC3)CC2)nc1 ZINC000918391133 1072813348 /nfs/dbraw/zinc/81/33/48/1072813348.db2.gz JGLKLYYOUMWPIS-HNNXBMFYSA-N 0 0 430.490 -0.233 20 30 IBEDRN N#Cc1ccc(N2CCN(C(=O)C3=NN([C@@H]4CCS(=O)(=O)C4)C(=O)CC3)CC2)nc1 ZINC000918391164 1072813319 /nfs/dbraw/zinc/81/33/19/1072813319.db2.gz JGLKLYYOUMWPIS-OAHLLOKOSA-N 0 0 430.490 -0.233 20 30 IBEDRN N#CCOc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)c1 ZINC000918428798 1072815472 /nfs/dbraw/zinc/81/54/72/1072815472.db2.gz BPDXUMKLVFKPMM-UHFFFAOYSA-N 0 0 437.478 -0.751 20 30 IBEDRN C#Cc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)c1 ZINC000918443312 1072817163 /nfs/dbraw/zinc/81/71/63/1072817163.db2.gz ACGTUWKSQZSSHX-UHFFFAOYSA-N 0 0 430.442 -0.169 20 30 IBEDRN C=CCNS(=O)(=O)c1cc(C(=O)NCCC(=O)N[C@@H]2CCS(=O)(=O)C2)ccc1F ZINC000918569107 1072825156 /nfs/dbraw/zinc/82/51/56/1072825156.db2.gz UNGXPYYRLAUCRZ-CYBMUJFWSA-N 0 0 447.510 -0.287 20 30 IBEDRN C=CCNS(=O)(=O)c1cc(C(=O)NCCC(=O)N[C@H]2CCS(=O)(=O)C2)ccc1F ZINC000918569108 1072825013 /nfs/dbraw/zinc/82/50/13/1072825013.db2.gz UNGXPYYRLAUCRZ-ZDUSSCGKSA-N 0 0 447.510 -0.287 20 30 IBEDRN C#Cc1cccc(NC(=O)CNC(=O)Cn2c3ccc(S(N)(=O)=O)cc3oc2=O)c1 ZINC000918646048 1072833516 /nfs/dbraw/zinc/83/35/16/1072833516.db2.gz HKNBAUCYOFAWEI-UHFFFAOYSA-N 0 0 428.426 -0.022 20 30 IBEDRN CN(C)C(=O)Cn1c(=O)c(=Cc2cnn(C)c2)sc1=C(C#N)C(=O)NC1CCCC1 ZINC000918729256 1072835966 /nfs/dbraw/zinc/83/59/66/1072835966.db2.gz ABXGFNCELZVMDQ-UHFFFAOYSA-N 0 0 428.518 -0.707 20 30 IBEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1CC(=O)N(C)C ZINC000918729379 1072836005 /nfs/dbraw/zinc/83/60/05/1072836005.db2.gz JEGXJPKHBVDAIO-UHFFFAOYSA-N 0 0 438.509 -0.262 20 30 IBEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(F)c2)c(=O)n1CC(=O)N(C)C ZINC000918729458 1072835827 /nfs/dbraw/zinc/83/58/27/1072835827.db2.gz DDWFWCCBXOJVQU-UHFFFAOYSA-N 0 0 444.488 -0.049 20 30 IBEDRN CN(C)C(=O)Cn1c(=O)c(=Cc2cnn(C(C)(C)C)c2)sc1=C(C#N)C(=O)NC1CC1 ZINC000918729516 1072836067 /nfs/dbraw/zinc/83/60/67/1072836067.db2.gz DZSXVBZONHEQJI-UHFFFAOYSA-N 0 0 442.545 -0.269 20 30 IBEDRN CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1CC(=O)N(C)C ZINC000918729517 1072835977 /nfs/dbraw/zinc/83/59/77/1072835977.db2.gz FBXDUIBKPVVOEV-UHFFFAOYSA-N 0 0 444.561 -0.021 20 30 IBEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1CC(=O)N(C)C ZINC000918729541 1072835894 /nfs/dbraw/zinc/83/58/94/1072835894.db2.gz FLCDJVVWGDFLFQ-UHFFFAOYSA-N 0 0 441.469 -0.289 20 30 IBEDRN CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cscn3)c(=O)n2CCOC)CC1 ZINC000918729549 1072836095 /nfs/dbraw/zinc/83/60/95/1072836095.db2.gz LDCSMSPVRMNQQD-UHFFFAOYSA-N 0 0 433.559 -0.320 20 30 IBEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1CC(=O)N(C)C ZINC000918729662 1072835883 /nfs/dbraw/zinc/83/58/83/1072835883.db2.gz GFEFVCWGJLLEAH-UHFFFAOYSA-N 0 0 441.469 -0.289 20 30 IBEDRN CC(C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1CC(=O)N(C)C ZINC000918729740 1072835813 /nfs/dbraw/zinc/83/58/13/1072835813.db2.gz IRKIYWDYWDZSMB-UHFFFAOYSA-N 0 0 444.561 -0.023 20 30 IBEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1CC(=O)N(C)C ZINC000918729800 1072835856 /nfs/dbraw/zinc/83/58/56/1072835856.db2.gz JVBAVJPKOGRKHR-UHFFFAOYSA-N 0 0 442.545 -0.245 20 30 IBEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2)c(=O)n1CC(=O)N(C)C ZINC000918730056 1072835549 /nfs/dbraw/zinc/83/55/49/1072835549.db2.gz NWLOZSAXPUJPJA-UHFFFAOYSA-N 0 0 426.498 -0.188 20 30 IBEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2)c(=O)n1CC(=O)N(C)C ZINC000918730095 1072835948 /nfs/dbraw/zinc/83/59/48/1072835948.db2.gz OUYLFBXCQFNZAT-UHFFFAOYSA-N 0 0 426.498 -0.188 20 30 IBEDRN CN(C)C(=O)Cn1c(=O)c(=Cc2cnn(C)c2)sc1=C(C#N)C(=O)Nc1ccccc1 ZINC000918730194 1072837342 /nfs/dbraw/zinc/83/73/42/1072837342.db2.gz QMYXYFPWQIBXIN-UHFFFAOYSA-N 0 0 436.497 -0.127 20 30 IBEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC)c(=O)n1CC(=O)N(C)C ZINC000918730228 1072837354 /nfs/dbraw/zinc/83/73/54/1072837354.db2.gz UACMSVBFOIHLAF-UHFFFAOYSA-N 0 0 426.498 -0.188 20 30 IBEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1CC(=O)N(C)C ZINC000918730254 1072837437 /nfs/dbraw/zinc/83/74/37/1072837437.db2.gz VBMMKQPRUVTSHM-UHFFFAOYSA-N 0 0 441.469 -0.289 20 30 IBEDRN C#CCN(C(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000918756711 1072837171 /nfs/dbraw/zinc/83/71/71/1072837171.db2.gz XNNIZHJQZZCOHK-HNNXBMFYSA-N 0 0 439.515 -0.930 20 30 IBEDRN C#CCN(C(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000918756722 1072837135 /nfs/dbraw/zinc/83/71/35/1072837135.db2.gz XNNIZHJQZZCOHK-OAHLLOKOSA-N 0 0 439.515 -0.930 20 30 IBEDRN N#Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N2CCN(C(=O)C3CC3)CC2)cc1 ZINC000918817168 1072840959 /nfs/dbraw/zinc/84/09/59/1072840959.db2.gz KOGGXSVOTNEZQQ-UHFFFAOYSA-N 0 0 434.474 -0.539 20 30 IBEDRN CNC(=O)[C@@H](NC(=O)COC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)c1ccccc1 ZINC000918817196 1072840981 /nfs/dbraw/zinc/84/09/81/1072840981.db2.gz LIUQSFZXCAVSLA-IBGZPJMESA-N 0 0 444.469 -0.017 20 30 IBEDRN CNC(=O)[C@H](NC(=O)COC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)c1ccccc1 ZINC000918817201 1072840919 /nfs/dbraw/zinc/84/09/19/1072840919.db2.gz LIUQSFZXCAVSLA-LJQANCHMSA-N 0 0 444.469 -0.017 20 30 IBEDRN O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)OCC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000918817211 1072841059 /nfs/dbraw/zinc/84/10/59/1072841059.db2.gz BWIJOBGVZUEDRS-UHFFFAOYSA-N 0 0 448.501 -0.261 20 30 IBEDRN C[C@H](NC(=O)COC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCCCC1 ZINC000918818046 1072840889 /nfs/dbraw/zinc/84/08/89/1072840889.db2.gz VIPZHMAGIPQJJS-AWEZNQCLSA-N 0 0 436.490 -0.103 20 30 IBEDRN C[C@@H](NC(=O)COC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCCCC1 ZINC000918818047 1072841100 /nfs/dbraw/zinc/84/11/00/1072841100.db2.gz VIPZHMAGIPQJJS-CQSZACIVSA-N 0 0 436.490 -0.103 20 30 IBEDRN CC(=O)N[C@H]1CCCN(C(=O)COC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1 ZINC000918818309 1072840990 /nfs/dbraw/zinc/84/09/90/1072840990.db2.gz OVPNBYPRNYNPSS-AWEZNQCLSA-N 0 0 436.490 -0.215 20 30 IBEDRN CC(=O)N[C@@H]1CCCN(C(=O)COC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1 ZINC000918818310 1072841091 /nfs/dbraw/zinc/84/10/91/1072841091.db2.gz OVPNBYPRNYNPSS-CQSZACIVSA-N 0 0 436.490 -0.215 20 30 IBEDRN CC(C)[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCC(=O)N[C@@H](C)C(=O)N(C)C ZINC000918825457 1072842073 /nfs/dbraw/zinc/84/20/73/1072842073.db2.gz XOOAIAKYQCCFKV-LRDDRELGSA-N 0 0 438.506 -0.114 20 30 IBEDRN CC(C)[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCC(=O)N[C@H](C)C(=O)N(C)C ZINC000918825458 1072841962 /nfs/dbraw/zinc/84/19/62/1072841962.db2.gz XOOAIAKYQCCFKV-WBMJQRKESA-N 0 0 438.506 -0.114 20 30 IBEDRN CNC(=O)[C@H](NC(=O)COC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1ccccc1 ZINC000918872403 1072844769 /nfs/dbraw/zinc/84/47/69/1072844769.db2.gz LWQBJBNIAWAHLI-GOSISDBHSA-N 0 0 444.469 -0.128 20 30 IBEDRN CNC(=O)[C@@H](NC(=O)COC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1ccccc1 ZINC000918872404 1072844907 /nfs/dbraw/zinc/84/49/07/1072844907.db2.gz LWQBJBNIAWAHLI-SFHVURJKSA-N 0 0 444.469 -0.128 20 30 IBEDRN O=C(C/N=C1/NS(=O)(=O)c2ccccc21)OCC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000918872773 1072844895 /nfs/dbraw/zinc/84/48/95/1072844895.db2.gz QOPGPSTWAVHVMB-UHFFFAOYSA-N 0 0 434.474 -0.651 20 30 IBEDRN NS(=O)(=O)c1ccc(C(=O)COC(=O)CN=C2NS(=O)(=O)c3ccccc32)cc1 ZINC000918872827 1072844837 /nfs/dbraw/zinc/84/48/37/1072844837.db2.gz UQDURVHIHTYYOD-UHFFFAOYSA-N 0 0 437.455 -0.201 20 30 IBEDRN C[C@@H](NC(=O)COC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCCCC1 ZINC000918873132 1072844877 /nfs/dbraw/zinc/84/48/77/1072844877.db2.gz WTGUJQVXZQEUOB-CYBMUJFWSA-N 0 0 436.490 -0.215 20 30 IBEDRN C[C@H](NC(=O)COC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCCCC1 ZINC000918873135 1072844800 /nfs/dbraw/zinc/84/48/00/1072844800.db2.gz WTGUJQVXZQEUOB-ZDUSSCGKSA-N 0 0 436.490 -0.215 20 30 IBEDRN C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)NCCCN(C)S(C)(=O)=O)c1 ZINC000919019942 1072855801 /nfs/dbraw/zinc/85/58/01/1072855801.db2.gz CTEPIDWCIXVLIW-UHFFFAOYSA-N 0 0 445.519 -0.847 20 30 IBEDRN C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)N2CCN(C(=O)C3CC3)CC2)c1 ZINC000919021280 1072855424 /nfs/dbraw/zinc/85/54/24/1072855424.db2.gz ZKENWTHFXRNALH-UHFFFAOYSA-N 0 0 433.486 -0.164 20 30 IBEDRN CNC(=O)[C@@H](NC(=O)COC(=O)CNS(=O)(=O)c1ccccc1C#N)c1ccccc1 ZINC000919033805 1072856721 /nfs/dbraw/zinc/85/67/21/1072856721.db2.gz CGMCRWKNLQFBII-IBGZPJMESA-N 0 0 444.469 -0.017 20 30 IBEDRN CNC(=O)[C@H](NC(=O)COC(=O)CNS(=O)(=O)c1ccccc1C#N)c1ccccc1 ZINC000919033806 1072856696 /nfs/dbraw/zinc/85/66/96/1072856696.db2.gz CGMCRWKNLQFBII-LJQANCHMSA-N 0 0 444.469 -0.017 20 30 IBEDRN C[C@H](NC(=O)COC(=O)CNS(=O)(=O)c1ccccc1C#N)C(=O)N1CCCCC1 ZINC000919033834 1072856790 /nfs/dbraw/zinc/85/67/90/1072856790.db2.gz DHNNFHOGNOBPAO-AWEZNQCLSA-N 0 0 436.490 -0.103 20 30 IBEDRN C[C@@H](NC(=O)COC(=O)CNS(=O)(=O)c1ccccc1C#N)C(=O)N1CCCCC1 ZINC000919033835 1072856650 /nfs/dbraw/zinc/85/66/50/1072856650.db2.gz DHNNFHOGNOBPAO-CQSZACIVSA-N 0 0 436.490 -0.103 20 30 IBEDRN N#Cc1ccccc1S(=O)(=O)NCC(=O)OCC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000919034474 1072856583 /nfs/dbraw/zinc/85/65/83/1072856583.db2.gz UBBGWOIVGBRCFV-UHFFFAOYSA-N 0 0 434.474 -0.539 20 30 IBEDRN C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCN(C(=O)C3CC3)CC2)cc1 ZINC000919048429 1072857282 /nfs/dbraw/zinc/85/72/82/1072857282.db2.gz IGPQWXGNERGGRU-UHFFFAOYSA-N 0 0 433.486 -0.164 20 30 IBEDRN C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)NCCCN(C)S(C)(=O)=O)cc1 ZINC000919048908 1072857134 /nfs/dbraw/zinc/85/71/34/1072857134.db2.gz YAQLPFLBHQGOHC-UHFFFAOYSA-N 0 0 445.519 -0.847 20 30 IBEDRN CCN(C[C@@H](C)C#N)C(=O)COC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000919058230 1072857587 /nfs/dbraw/zinc/85/75/87/1072857587.db2.gz BLVUZLYZGXSVBR-AWEZNQCLSA-N 0 0 436.490 -0.028 20 30 IBEDRN CCN(C[C@H](C)C#N)C(=O)COC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000919058233 1072857868 /nfs/dbraw/zinc/85/78/68/1072857868.db2.gz BLVUZLYZGXSVBR-CQSZACIVSA-N 0 0 436.490 -0.028 20 30 IBEDRN CCN(C[C@@H](C)C#N)C(=O)COC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC000919077505 1072859104 /nfs/dbraw/zinc/85/91/04/1072859104.db2.gz RGVLSRUPSBAXPZ-AWEZNQCLSA-N 0 0 436.490 -0.028 20 30 IBEDRN CCN(C[C@H](C)C#N)C(=O)COC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC000919077506 1072859187 /nfs/dbraw/zinc/85/91/87/1072859187.db2.gz RGVLSRUPSBAXPZ-CQSZACIVSA-N 0 0 436.490 -0.028 20 30 IBEDRN Cn1cc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)ccc1=O ZINC000919198725 1072869864 /nfs/dbraw/zinc/86/98/64/1072869864.db2.gz BMIZLZSSTNJMAJ-UHFFFAOYSA-N 0 0 444.469 -0.053 20 30 IBEDRN COCCOCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000919223502 1072869793 /nfs/dbraw/zinc/86/97/93/1072869793.db2.gz OFNBLSINCLHFLK-UHFFFAOYSA-N 0 0 425.463 -0.403 20 30 IBEDRN COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)OCC(=O)NCCC#N)c1OC ZINC000919226528 1072870249 /nfs/dbraw/zinc/87/02/49/1072870249.db2.gz JFUDZJZAERNAEV-UHFFFAOYSA-N 0 0 441.462 -0.089 20 30 IBEDRN C#CCNC(=O)COC(=O)c1cc(S(=O)(=O)N2CCOCC2)cc(OC)c1OC ZINC000919227953 1072870468 /nfs/dbraw/zinc/87/04/68/1072870468.db2.gz ZVIBGBORIFZHDK-UHFFFAOYSA-N 0 0 426.447 -0.369 20 30 IBEDRN Cn1nc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)ccc1=O ZINC000919235527 1072871190 /nfs/dbraw/zinc/87/11/90/1072871190.db2.gz HJXYILFRWFMWFF-UHFFFAOYSA-N 0 0 445.457 -0.658 20 30 IBEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@@H]3CCCCN3S(C)(=O)=O)CC2)o1 ZINC000919245898 1072870848 /nfs/dbraw/zinc/87/08/48/1072870848.db2.gz BNIPBEJBRMWHCE-HNNXBMFYSA-N 0 0 439.494 -0.139 20 30 IBEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@H]3CCCCN3S(C)(=O)=O)CC2)o1 ZINC000919245902 1072870888 /nfs/dbraw/zinc/87/08/88/1072870888.db2.gz BNIPBEJBRMWHCE-OAHLLOKOSA-N 0 0 439.494 -0.139 20 30 IBEDRN Cn1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1=O ZINC000919268173 1072871797 /nfs/dbraw/zinc/87/17/97/1072871797.db2.gz ZXSWABNYCFKGEN-UHFFFAOYSA-N 0 0 444.469 -0.053 20 30 IBEDRN COC(=O)N(C)CC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000919291205 1072878216 /nfs/dbraw/zinc/87/82/16/1072878216.db2.gz ZHOYVSPMWJLKDP-UHFFFAOYSA-N 0 0 438.462 -0.367 20 30 IBEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)[C@H]2CCC(=O)NC2)CC1 ZINC000919339880 1072881967 /nfs/dbraw/zinc/88/19/67/1072881967.db2.gz FXEWDINHOYLIRC-HNNXBMFYSA-N 0 0 434.474 -0.539 20 30 IBEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)[C@@H]2CCC(=O)NC2)CC1 ZINC000919339881 1072882073 /nfs/dbraw/zinc/88/20/73/1072882073.db2.gz FXEWDINHOYLIRC-OAHLLOKOSA-N 0 0 434.474 -0.539 20 30 IBEDRN C[C@H](C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)S(C)(=O)=O ZINC000919346003 1072883494 /nfs/dbraw/zinc/88/34/94/1072883494.db2.gz VMAOMNWBYLVWGU-CYBMUJFWSA-N 0 0 443.503 -0.633 20 30 IBEDRN C[C@@H](C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)S(C)(=O)=O ZINC000919346004 1072883416 /nfs/dbraw/zinc/88/34/16/1072883416.db2.gz VMAOMNWBYLVWGU-ZDUSSCGKSA-N 0 0 443.503 -0.633 20 30 IBEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CCN3CCCS3(=O)=O)CC2)o1 ZINC000919435312 1072887785 /nfs/dbraw/zinc/88/77/85/1072887785.db2.gz CZXFILPHANHVDK-UHFFFAOYSA-N 0 0 425.467 -0.528 20 30 IBEDRN C=CCNC(=O)NC(=O)COC(=O)c1ccc2c(c1)S(=O)(=O)N(CCOC)C2=O ZINC000919540797 1072895604 /nfs/dbraw/zinc/89/56/04/1072895604.db2.gz BVCLYYBECQRAND-UHFFFAOYSA-N 0 0 425.419 -0.354 20 30 IBEDRN CN(C)C(=O)CN1CCN(C(=O)COC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)CC1 ZINC000919548229 1072896614 /nfs/dbraw/zinc/89/66/14/1072896614.db2.gz OTZAULDLCRLNRH-UHFFFAOYSA-N 0 0 439.476 -0.285 20 30 IBEDRN CN(CCCNC(=O)COC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)S(C)(=O)=O ZINC000919548621 1072896470 /nfs/dbraw/zinc/89/64/70/1072896470.db2.gz KTEKNUSJPOOUET-UHFFFAOYSA-N 0 0 434.478 -0.119 20 30 IBEDRN N#Cc1ccc(CS(=O)(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000919726279 1072907886 /nfs/dbraw/zinc/90/78/86/1072907886.db2.gz CJIOOWPRGNJVED-INIZCTEOSA-N 0 0 447.560 -0.477 20 30 IBEDRN N#Cc1ccc(CS(=O)(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000919726280 1072907832 /nfs/dbraw/zinc/90/78/32/1072907832.db2.gz CJIOOWPRGNJVED-MRXNPFEDSA-N 0 0 447.560 -0.477 20 30 IBEDRN N#Cc1cccc(CS(=O)(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)c1 ZINC000919726579 1072908366 /nfs/dbraw/zinc/90/83/66/1072908366.db2.gz HRLRMENSDQIFLO-INIZCTEOSA-N 0 0 447.560 -0.477 20 30 IBEDRN N#Cc1cccc(CS(=O)(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)c1 ZINC000919726580 1072908456 /nfs/dbraw/zinc/90/84/56/1072908456.db2.gz HRLRMENSDQIFLO-MRXNPFEDSA-N 0 0 447.560 -0.477 20 30 IBEDRN N#Cc1cccc(S(=O)(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)c1 ZINC000919727070 1072908954 /nfs/dbraw/zinc/90/89/54/1072908954.db2.gz OEIYZFWALKGVDW-HNNXBMFYSA-N 0 0 433.533 -0.619 20 30 IBEDRN N#Cc1cccc(S(=O)(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)c1 ZINC000919727073 1072908900 /nfs/dbraw/zinc/90/89/00/1072908900.db2.gz OEIYZFWALKGVDW-OAHLLOKOSA-N 0 0 433.533 -0.619 20 30 IBEDRN C[C@@H](Oc1ccccc1C#N)C(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000919816717 1072918834 /nfs/dbraw/zinc/91/88/34/1072918834.db2.gz JWSFGDUNRMHBKP-GDBMZVCRSA-N 0 0 441.531 -0.013 20 30 IBEDRN C[C@H](Oc1ccccc1C#N)C(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000919816720 1072918923 /nfs/dbraw/zinc/91/89/23/1072918923.db2.gz JWSFGDUNRMHBKP-GOEBONIOSA-N 0 0 441.531 -0.013 20 30 IBEDRN C[C@H](Oc1ccccc1C#N)C(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000919816722 1072918932 /nfs/dbraw/zinc/91/89/32/1072918932.db2.gz JWSFGDUNRMHBKP-HOCLYGCPSA-N 0 0 441.531 -0.013 20 30 IBEDRN C[C@@H](Oc1ccccc1C#N)C(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000919816724 1072918906 /nfs/dbraw/zinc/91/89/06/1072918906.db2.gz JWSFGDUNRMHBKP-ZBFHGGJFSA-N 0 0 441.531 -0.013 20 30 IBEDRN N#Cc1ccccc1OCC(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000919817246 1072919616 /nfs/dbraw/zinc/91/96/16/1072919616.db2.gz PZGUOTQNLRDGRU-HNNXBMFYSA-N 0 0 427.504 -0.402 20 30 IBEDRN N#Cc1ccccc1OCC(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000919817249 1072919641 /nfs/dbraw/zinc/91/96/41/1072919641.db2.gz PZGUOTQNLRDGRU-OAHLLOKOSA-N 0 0 427.504 -0.402 20 30 IBEDRN N#CCOc1ccccc1C(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000919817323 1072919699 /nfs/dbraw/zinc/91/96/99/1072919699.db2.gz RJTPDMACUVFZKM-AWEZNQCLSA-N 0 0 427.504 -0.136 20 30 IBEDRN N#CCOc1ccccc1C(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000919817326 1072919671 /nfs/dbraw/zinc/91/96/71/1072919671.db2.gz RJTPDMACUVFZKM-CQSZACIVSA-N 0 0 427.504 -0.136 20 30 IBEDRN N#Cc1ccc(OCC(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000919818033 1072920572 /nfs/dbraw/zinc/92/05/72/1072920572.db2.gz IFOMTQJYVMLNFF-INIZCTEOSA-N 0 0 427.504 -0.402 20 30 IBEDRN N#Cc1ccc(OCC(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000919818035 1072920483 /nfs/dbraw/zinc/92/04/83/1072920483.db2.gz IFOMTQJYVMLNFF-MRXNPFEDSA-N 0 0 427.504 -0.402 20 30 IBEDRN N#Cc1cccc(OCC(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)c1 ZINC000919818474 1072920922 /nfs/dbraw/zinc/92/09/22/1072920922.db2.gz RCQHEKXJZRBJHZ-INIZCTEOSA-N 0 0 427.504 -0.402 20 30 IBEDRN N#Cc1cccc(OCC(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)c1 ZINC000919818476 1072920941 /nfs/dbraw/zinc/92/09/41/1072920941.db2.gz RCQHEKXJZRBJHZ-MRXNPFEDSA-N 0 0 427.504 -0.402 20 30 IBEDRN C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000919818713 1072921441 /nfs/dbraw/zinc/92/14/41/1072921441.db2.gz OFLPKIPMOMCXLZ-PBHICJAKSA-N 0 0 441.531 -0.013 20 30 IBEDRN C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000919818714 1072921480 /nfs/dbraw/zinc/92/14/80/1072921480.db2.gz OFLPKIPMOMCXLZ-RHSMWYFYSA-N 0 0 441.531 -0.013 20 30 IBEDRN C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000919818715 1072921419 /nfs/dbraw/zinc/92/14/19/1072921419.db2.gz OFLPKIPMOMCXLZ-WMLDXEAASA-N 0 0 441.531 -0.013 20 30 IBEDRN C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000919818716 1072921487 /nfs/dbraw/zinc/92/14/87/1072921487.db2.gz OFLPKIPMOMCXLZ-YOEHRIQHSA-N 0 0 441.531 -0.013 20 30 IBEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC(C(=O)Nc3nncs3)CC2)c1=O ZINC000919943687 1072927917 /nfs/dbraw/zinc/92/79/17/1072927917.db2.gz ZVXZKQZRDSBTPW-UHFFFAOYSA-N 0 0 433.494 -0.297 20 30 IBEDRN CON=Cc1ccc(C(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000919985965 1072930679 /nfs/dbraw/zinc/93/06/79/1072930679.db2.gz DOJGLASLTPHQAT-INIZCTEOSA-N 0 0 429.520 -0.058 20 30 IBEDRN CON=Cc1ccc(C(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000919985982 1072930669 /nfs/dbraw/zinc/93/06/69/1072930669.db2.gz DOJGLASLTPHQAT-MRXNPFEDSA-N 0 0 429.520 -0.058 20 30 IBEDRN CNC(=O)c1ccc(=O)n(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 ZINC000920072157 1072935874 /nfs/dbraw/zinc/93/58/74/1072935874.db2.gz QVCHNAZAXLZMPB-UHFFFAOYSA-N 0 0 443.485 -0.387 20 30 IBEDRN N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCCN(CC(N)=O)CC3)CC2)cc1 ZINC000920092741 1072936851 /nfs/dbraw/zinc/93/68/51/1072936851.db2.gz DNVOFEZBKSKQKY-UHFFFAOYSA-N 0 0 433.534 -0.021 20 30 IBEDRN C=CCNS(=O)(=O)c1cc(C(=O)N(C)CC(=O)N[C@@H]2CCS(=O)(=O)C2)ccc1F ZINC000920289705 1072941696 /nfs/dbraw/zinc/94/16/96/1072941696.db2.gz AMQUAZLXDOUFJD-CYBMUJFWSA-N 0 0 447.510 -0.335 20 30 IBEDRN C=CCNS(=O)(=O)c1cc(C(=O)N(C)CC(=O)N[C@H]2CCS(=O)(=O)C2)ccc1F ZINC000920289706 1072941737 /nfs/dbraw/zinc/94/17/37/1072941737.db2.gz AMQUAZLXDOUFJD-ZDUSSCGKSA-N 0 0 447.510 -0.335 20 30 IBEDRN C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(CC(=O)N2CCCC2)CC1 ZINC000920302831 1072941114 /nfs/dbraw/zinc/94/11/14/1072941114.db2.gz LSFPFWNXNXWBRQ-HNNXBMFYSA-N 0 0 433.534 -0.120 20 30 IBEDRN C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(CC(=O)N2CCCC2)CC1 ZINC000920302832 1072941220 /nfs/dbraw/zinc/94/12/20/1072941220.db2.gz LSFPFWNXNXWBRQ-OAHLLOKOSA-N 0 0 433.534 -0.120 20 30 IBEDRN C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000920315771 1072942619 /nfs/dbraw/zinc/94/26/19/1072942619.db2.gz NPIUTSBFNVXWHY-HNNXBMFYSA-N 0 0 449.533 -0.883 20 30 IBEDRN C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000920315775 1072942670 /nfs/dbraw/zinc/94/26/70/1072942670.db2.gz NPIUTSBFNVXWHY-OAHLLOKOSA-N 0 0 449.533 -0.883 20 30 IBEDRN Cn1c(CN=Nc2ccc(S(=O)(=O)N3CCCC3)cn2)nc2c1c(=O)[nH]c(=O)n2C ZINC000920372615 1072942648 /nfs/dbraw/zinc/94/26/48/1072942648.db2.gz SYDYLEKVXHOHCW-UHFFFAOYSA-N 0 0 432.466 -0.002 20 30 IBEDRN CNC(=O)C(C#N)=c1sc(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c(=O)n1CCOC ZINC000920394945 1072947335 /nfs/dbraw/zinc/94/73/35/1072947335.db2.gz IMEGXCPYZLKHKA-UHFFFAOYSA-N 0 0 446.441 -0.515 20 30 IBEDRN CCc1nc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CCOC)c2=O)cs1 ZINC000920395424 1072947339 /nfs/dbraw/zinc/94/73/39/1072947339.db2.gz RKPUDMNHPUHZRG-UHFFFAOYSA-N 0 0 434.543 -0.063 20 30 IBEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c(=O)n1C ZINC000920395494 1072947240 /nfs/dbraw/zinc/94/72/40/1072947240.db2.gz AZURJYHVNHDTFC-UHFFFAOYSA-N 0 0 428.426 -0.069 20 30 IBEDRN CN(C)C(=O)Cn1c(=O)c(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)sc1=C(C#N)C#N ZINC000920396560 1072947316 /nfs/dbraw/zinc/94/73/16/1072947316.db2.gz HEARAIFAJKBUFV-UHFFFAOYSA-N 0 0 441.425 -0.296 20 30 IBEDRN C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000920407815 1072943181 /nfs/dbraw/zinc/94/31/81/1072943181.db2.gz HNLCFGVECGGBAM-CVEARBPZSA-N 0 0 446.595 -0.148 20 30 IBEDRN C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000920407819 1072943225 /nfs/dbraw/zinc/94/32/25/1072943225.db2.gz HNLCFGVECGGBAM-HOTGVXAUSA-N 0 0 446.595 -0.148 20 30 IBEDRN C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000920407822 1072943217 /nfs/dbraw/zinc/94/32/17/1072943217.db2.gz HNLCFGVECGGBAM-HZPDHXFCSA-N 0 0 446.595 -0.148 20 30 IBEDRN C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000920407823 1072943099 /nfs/dbraw/zinc/94/30/99/1072943099.db2.gz HNLCFGVECGGBAM-JKSUJKDBSA-N 0 0 446.595 -0.148 20 30 IBEDRN N#CC1(NC(=O)CN2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)CCCCC1 ZINC000920408365 1072943540 /nfs/dbraw/zinc/94/35/40/1072943540.db2.gz MMDNJWPDVJSCGD-HNNXBMFYSA-N 0 0 432.568 -0.536 20 30 IBEDRN N#CC1(NC(=O)CN2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)CCCCC1 ZINC000920408366 1072943638 /nfs/dbraw/zinc/94/36/38/1072943638.db2.gz MMDNJWPDVJSCGD-OAHLLOKOSA-N 0 0 432.568 -0.536 20 30 IBEDRN N#Cc1ccc(OC[C@H](O)CN2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000920408507 1072944077 /nfs/dbraw/zinc/94/40/77/1072944077.db2.gz GMVFJFPVMLMJLJ-AEFFLSMTSA-N 0 0 443.547 -0.568 20 30 IBEDRN N#Cc1ccc(OC[C@@H](O)CN2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000920408642 1072944014 /nfs/dbraw/zinc/94/40/14/1072944014.db2.gz GMVFJFPVMLMJLJ-FUHWJXTLSA-N 0 0 443.547 -0.568 20 30 IBEDRN N#Cc1ccc(OC[C@H](O)CN2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000920408643 1072943962 /nfs/dbraw/zinc/94/39/62/1072943962.db2.gz GMVFJFPVMLMJLJ-SJLPKXTDSA-N 0 0 443.547 -0.568 20 30 IBEDRN N#Cc1ccc(OC[C@@H](O)CN2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000920408644 1072943992 /nfs/dbraw/zinc/94/39/92/1072943992.db2.gz GMVFJFPVMLMJLJ-WMZOPIPTSA-N 0 0 443.547 -0.568 20 30 IBEDRN CN(C(=O)CN1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1)C1(C#N)CCCCC1 ZINC000920408734 1072944419 /nfs/dbraw/zinc/94/44/19/1072944419.db2.gz HTSDNSUKAXDWID-INIZCTEOSA-N 0 0 446.595 -0.194 20 30 IBEDRN CN(C(=O)CN1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1)C1(C#N)CCCCC1 ZINC000920408735 1072944474 /nfs/dbraw/zinc/94/44/74/1072944474.db2.gz HTSDNSUKAXDWID-MRXNPFEDSA-N 0 0 446.595 -0.194 20 30 IBEDRN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000920408757 1072944413 /nfs/dbraw/zinc/94/44/13/1072944413.db2.gz IQCSVWALNYWAKS-BFYDXBDKSA-N 0 0 434.584 -0.436 20 30 IBEDRN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000920408758 1072944417 /nfs/dbraw/zinc/94/44/17/1072944417.db2.gz IQCSVWALNYWAKS-HLLBOEOZSA-N 0 0 434.584 -0.436 20 30 IBEDRN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000920408759 1072944466 /nfs/dbraw/zinc/94/44/66/1072944466.db2.gz IQCSVWALNYWAKS-INMHGKMJSA-N 0 0 434.584 -0.436 20 30 IBEDRN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000920408760 1072944432 /nfs/dbraw/zinc/94/44/32/1072944432.db2.gz IQCSVWALNYWAKS-VYDXJSESSA-N 0 0 434.584 -0.436 20 30 IBEDRN N#Cc1ccsc1NC(=O)CN1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000920408979 1072944982 /nfs/dbraw/zinc/94/49/82/1072944982.db2.gz NJMJPGBNNZQAPP-CYBMUJFWSA-N 0 0 432.549 -0.307 20 30 IBEDRN N#Cc1ccsc1NC(=O)CN1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000920408980 1072944977 /nfs/dbraw/zinc/94/49/77/1072944977.db2.gz NJMJPGBNNZQAPP-ZDUSSCGKSA-N 0 0 432.549 -0.307 20 30 IBEDRN Cc1oc(NC(=O)CN2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)c(C#N)c1C ZINC000920409088 1072945034 /nfs/dbraw/zinc/94/50/34/1072945034.db2.gz RJSNPNUOAFSIKI-AWEZNQCLSA-N 0 0 444.535 -0.159 20 30 IBEDRN Cc1oc(NC(=O)CN2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)c(C#N)c1C ZINC000920409089 1072944952 /nfs/dbraw/zinc/94/49/52/1072944952.db2.gz RJSNPNUOAFSIKI-CQSZACIVSA-N 0 0 444.535 -0.159 20 30 IBEDRN N#Cc1cccc(NC(=O)CN2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)c1 ZINC000920409216 1072945402 /nfs/dbraw/zinc/94/54/02/1072945402.db2.gz WCICSTVSIQIGGT-INIZCTEOSA-N 0 0 426.520 -0.369 20 30 IBEDRN N#Cc1cccc(NC(=O)CN2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)c1 ZINC000920409217 1072945388 /nfs/dbraw/zinc/94/53/88/1072945388.db2.gz WCICSTVSIQIGGT-MRXNPFEDSA-N 0 0 426.520 -0.369 20 30 IBEDRN N#Cc1ccc(NC(=O)CN2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000920409257 1072945839 /nfs/dbraw/zinc/94/58/39/1072945839.db2.gz WUXIYXIIDRBVGK-INIZCTEOSA-N 0 0 426.520 -0.369 20 30 IBEDRN N#Cc1ccc(NC(=O)CN2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000920409258 1072945823 /nfs/dbraw/zinc/94/58/23/1072945823.db2.gz WUXIYXIIDRBVGK-MRXNPFEDSA-N 0 0 426.520 -0.369 20 30 IBEDRN N#Cc1cccc(CNC(=O)CN2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)c1 ZINC000920409650 1072946296 /nfs/dbraw/zinc/94/62/96/1072946296.db2.gz JMCFDYKBWBVIGO-KRWDZBQOSA-N 0 0 440.547 -0.691 20 30 IBEDRN N#Cc1cccc(CNC(=O)CN2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)c1 ZINC000920409652 1072946265 /nfs/dbraw/zinc/94/62/65/1072946265.db2.gz JMCFDYKBWBVIGO-QGZVFWFLSA-N 0 0 440.547 -0.691 20 30 IBEDRN N#Cc1ccc(CNC(=O)CN2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000920409884 1072946257 /nfs/dbraw/zinc/94/62/57/1072946257.db2.gz MGCGEFAWCWVWTA-KRWDZBQOSA-N 0 0 440.547 -0.691 20 30 IBEDRN N#Cc1ccc(CNC(=O)CN2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000920409885 1072946270 /nfs/dbraw/zinc/94/62/70/1072946270.db2.gz MGCGEFAWCWVWTA-QGZVFWFLSA-N 0 0 440.547 -0.691 20 30 IBEDRN O=C(CN1CCCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1)N1CCCC1 ZINC000920444061 1072947306 /nfs/dbraw/zinc/94/73/06/1072947306.db2.gz UWEPDOPDANIIFV-UHFFFAOYSA-N 0 0 433.534 -0.118 20 30 IBEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@H](CO)NC(=O)c3ccccc3)CC2)o1 ZINC000920537970 1072949083 /nfs/dbraw/zinc/94/90/83/1072949083.db2.gz CYEVNJDKTVGUQN-KRWDZBQOSA-N 0 0 441.444 -0.163 20 30 IBEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@@H](CO)NC(=O)c3ccccc3)CC2)o1 ZINC000920537971 1072948894 /nfs/dbraw/zinc/94/88/94/1072948894.db2.gz CYEVNJDKTVGUQN-QGZVFWFLSA-N 0 0 441.444 -0.163 20 30 IBEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CN(C)C(=O)[C@H](C)n3cccn3)CC2)o1 ZINC000920551082 1072950578 /nfs/dbraw/zinc/95/05/78/1072950578.db2.gz ZTCZFGFDVRUKNH-AWEZNQCLSA-N 0 0 443.464 -0.037 20 30 IBEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CN(C)C(=O)[C@@H](C)n3cccn3)CC2)o1 ZINC000920551085 1072950520 /nfs/dbraw/zinc/95/05/20/1072950520.db2.gz ZTCZFGFDVRUKNH-CQSZACIVSA-N 0 0 443.464 -0.037 20 30 IBEDRN CCS(=O)(=O)CC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000920596469 1072951491 /nfs/dbraw/zinc/95/14/91/1072951491.db2.gz FMLZASCARMDAEH-UHFFFAOYSA-N 0 0 443.503 -0.631 20 30 IBEDRN Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3cn(CC(=O)N(C)C)nn3)CC2)o1 ZINC000920641724 1072954503 /nfs/dbraw/zinc/95/45/03/1072954503.db2.gz LUHFYWULFCPPMH-UHFFFAOYSA-N 0 0 430.425 -0.960 20 30 IBEDRN COCCOCCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000920710695 1072956905 /nfs/dbraw/zinc/95/69/05/1072956905.db2.gz NHQKGXJFKJYUQW-UHFFFAOYSA-N 0 0 439.490 -0.013 20 30 IBEDRN N#Cc1ccc(NCC(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000920806579 1072958007 /nfs/dbraw/zinc/95/80/07/1072958007.db2.gz XYBQMLVPSZYSJZ-INIZCTEOSA-N 0 0 426.520 -0.369 20 30 IBEDRN N#Cc1ccc(NCC(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000920806580 1072957960 /nfs/dbraw/zinc/95/79/60/1072957960.db2.gz XYBQMLVPSZYSJZ-MRXNPFEDSA-N 0 0 426.520 -0.369 20 30 IBEDRN CN(C1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1)S(C)(=O)=O ZINC000921053852 1072960010 /nfs/dbraw/zinc/96/00/10/1072960010.db2.gz PEFLBUFPUXJZIM-UHFFFAOYSA-N 0 0 428.536 -0.002 20 30 IBEDRN C=C(Br)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000921130482 1072960429 /nfs/dbraw/zinc/96/04/29/1072960429.db2.gz MXFFRLNQCKMRER-UHFFFAOYSA-N 0 0 445.295 -0.230 20 30 IBEDRN C=CCNS(=O)(=O)c1cc(C(=O)NCCN2CCN(S(C)(=O)=O)CC2)ccc1F ZINC000921166505 1072960938 /nfs/dbraw/zinc/96/09/38/1072960938.db2.gz WEZLIDMLFUXATD-UHFFFAOYSA-N 0 0 448.542 -0.403 20 30 IBEDRN COC[C@@H](C)NC(=O)NC(=O)COC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 ZINC000921172480 1072961493 /nfs/dbraw/zinc/96/14/93/1072961493.db2.gz VDQGJWQHOKFPLE-GFCCVEGCSA-N 0 0 426.451 -0.104 20 30 IBEDRN COC[C@H](C)NC(=O)NC(=O)COC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 ZINC000921172481 1072961364 /nfs/dbraw/zinc/96/13/64/1072961364.db2.gz VDQGJWQHOKFPLE-LBPRGKRZSA-N 0 0 426.451 -0.104 20 30 IBEDRN O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000921245736 1072962516 /nfs/dbraw/zinc/96/25/16/1072962516.db2.gz JFLPJOSZLBDSFE-CYBMUJFWSA-N 0 0 426.520 -0.944 20 30 IBEDRN O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000921245739 1072962506 /nfs/dbraw/zinc/96/25/06/1072962506.db2.gz JFLPJOSZLBDSFE-ZDUSSCGKSA-N 0 0 426.520 -0.944 20 30 IBEDRN N#CCCN(CCC#N)C(=O)COC(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1 ZINC000925213797 1074712395 /nfs/dbraw/zinc/71/23/95/1074712395.db2.gz FSPJQDBJKAAKNB-UHFFFAOYSA-N 0 0 449.489 -0.017 20 30 IBEDRN C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)N2CCN(c3cnccn3)CC2)c1 ZINC000927570637 1072180563 /nfs/dbraw/zinc/18/05/63/1072180563.db2.gz HYDWDYIWGZUPJK-UHFFFAOYSA-N 0 0 443.485 -0.106 20 30 IBEDRN Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)OCC(=O)N(CCC#N)CCC#N ZINC000927656240 1072182573 /nfs/dbraw/zinc/18/25/73/1072182573.db2.gz HQQJPVYSCSMHCX-UHFFFAOYSA-N 0 0 437.478 -0.141 20 30 IBEDRN C#CCNC(=O)[C@H](C)OC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccccc1 ZINC001115826209 1073022417 /nfs/dbraw/zinc/02/24/17/1073022417.db2.gz NXPANFFEGXDTJL-DZGCQCFKSA-N 0 0 430.504 -0.551 20 30 IBEDRN C#CCNC(=O)[C@@H](C)OC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccccc1 ZINC001115826210 1073022375 /nfs/dbraw/zinc/02/23/75/1073022375.db2.gz NXPANFFEGXDTJL-HIFRSBDPSA-N 0 0 430.504 -0.551 20 30 IBEDRN C#CCNC(=O)[C@@H](C)OC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccccc1 ZINC001115826211 1073022827 /nfs/dbraw/zinc/02/28/27/1073022827.db2.gz NXPANFFEGXDTJL-UKRRQHHQSA-N 0 0 430.504 -0.551 20 30 IBEDRN C#CCNC(=O)[C@H](C)OC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccccc1 ZINC001115826212 1073022884 /nfs/dbraw/zinc/02/28/84/1073022884.db2.gz NXPANFFEGXDTJL-ZFWWWQNUSA-N 0 0 430.504 -0.551 20 30 IBEDRN N#Cc1ccc(N2C[C@H](C(=O)N3CCN(CC(=O)N4CCOCC4)CC3)CC2=O)cc1 ZINC001115913215 1073026118 /nfs/dbraw/zinc/02/61/18/1073026118.db2.gz GWJJTGZWDOEXFV-GOSISDBHSA-N 0 0 425.489 -0.086 20 30 IBEDRN N#Cc1ccc(N2C[C@@H](C(=O)N3CCN(CC(=O)N4CCOCC4)CC3)CC2=O)cc1 ZINC001115913216 1073026162 /nfs/dbraw/zinc/02/61/62/1073026162.db2.gz GWJJTGZWDOEXFV-SFHVURJKSA-N 0 0 425.489 -0.086 20 30 IBEDRN N#Cc1ccc(N2C[C@H](C(=O)N[C@H]3CS(=O)(=O)C[C@H]3N3CCOCC3)CC2=O)cc1 ZINC001115980483 1073027352 /nfs/dbraw/zinc/02/73/52/1073027352.db2.gz BQEUBZIQLPYLOM-BPQIPLTHSA-N 0 0 432.502 -0.475 20 30 IBEDRN N#Cc1ccc(N2C[C@H](C(=O)N[C@@H]3CS(=O)(=O)C[C@H]3N3CCOCC3)CC2=O)cc1 ZINC001115980484 1073027433 /nfs/dbraw/zinc/02/74/33/1073027433.db2.gz BQEUBZIQLPYLOM-KBAYOESNSA-N 0 0 432.502 -0.475 20 30 IBEDRN N#Cc1ccc(N2C[C@H](C(=O)N[C@H]3CS(=O)(=O)C[C@@H]3N3CCOCC3)CC2=O)cc1 ZINC001115980485 1073027266 /nfs/dbraw/zinc/02/72/66/1073027266.db2.gz BQEUBZIQLPYLOM-NJAFHUGGSA-N 0 0 432.502 -0.475 20 30 IBEDRN N#Cc1ccc(N2C[C@H](C(=O)N[C@@H]3CS(=O)(=O)C[C@@H]3N3CCOCC3)CC2=O)cc1 ZINC001115980486 1073027447 /nfs/dbraw/zinc/02/74/47/1073027447.db2.gz BQEUBZIQLPYLOM-NXHRZFHOSA-N 0 0 432.502 -0.475 20 30 IBEDRN Cc1ccc(C(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)cc1S(=O)(=O)NCC#N ZINC001116010502 1073028176 /nfs/dbraw/zinc/02/81/76/1073028176.db2.gz WMPTZUNHWFVXCI-INIZCTEOSA-N 0 0 440.547 -0.258 20 30 IBEDRN Cc1ccc(C(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)cc1S(=O)(=O)NCC#N ZINC001116010503 1073028077 /nfs/dbraw/zinc/02/80/77/1073028077.db2.gz WMPTZUNHWFVXCI-MRXNPFEDSA-N 0 0 440.547 -0.258 20 30 IBEDRN O=C(NCCNC(=O)C1N=CC=CC1=O)c1ccccc1S(=O)(=O)N1CCOCC1 ZINC001116025276 1073028535 /nfs/dbraw/zinc/02/85/35/1073028535.db2.gz HGZNPBWUELJGCZ-HTXNQAPBSA-N 0 0 434.474 -0.036 20 30 IBEDRN O=C(NCCNC(=O)C1N=CC=CC1=O)c1ccccc1S(=O)(=O)N1CCOCC1 ZINC001116025277 1073028752 /nfs/dbraw/zinc/02/87/52/1073028752.db2.gz HGZNPBWUELJGCZ-ZPHPHTNESA-N 0 0 434.474 -0.036 20 30 IBEDRN N#CC(C(=O)N1CCS(=O)(=O)CC1)=c1sc(=Cc2ccncc2)c(=O)n1C1CC1 ZINC001116052745 1073029545 /nfs/dbraw/zinc/02/95/45/1073029545.db2.gz WXJMWLYUWYVACV-UHFFFAOYSA-N 0 0 430.511 -0.600 20 30 IBEDRN C#CCN(C(=O)c1ccc(S(=O)(=O)CC(=O)N(C)C)cc1)[C@H]1CCS(=O)(=O)C1 ZINC001116126901 1073032480 /nfs/dbraw/zinc/03/24/80/1073032480.db2.gz QLBLUSKMMWMYDH-HNNXBMFYSA-N 0 0 426.516 -0.189 20 30 IBEDRN C#CCN(C(=O)c1ccc(S(=O)(=O)CC(=O)N(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC001116126907 1073032335 /nfs/dbraw/zinc/03/23/35/1073032335.db2.gz QLBLUSKMMWMYDH-OAHLLOKOSA-N 0 0 426.516 -0.189 20 30 IBEDRN N#Cc1ccc(N2C[C@H](C(=O)N[C@H]3CC(=O)N(CCN4CCOCC4)C3)CC2=O)cc1 ZINC001116151441 1073033350 /nfs/dbraw/zinc/03/33/50/1073033350.db2.gz NJVQIFAUCOUUSQ-MSOLQXFVSA-N 0 0 425.489 -0.040 20 30 IBEDRN N#Cc1ccc(N2C[C@H](C(=O)N[C@@H]3CC(=O)N(CCN4CCOCC4)C3)CC2=O)cc1 ZINC001116151442 1073033123 /nfs/dbraw/zinc/03/31/23/1073033123.db2.gz NJVQIFAUCOUUSQ-QZTJIDSGSA-N 0 0 425.489 -0.040 20 30 IBEDRN N#Cc1ccc(N2C[C@@H](C(=O)N[C@H]3CC(=O)N(CCN4CCOCC4)C3)CC2=O)cc1 ZINC001116151443 1073033144 /nfs/dbraw/zinc/03/31/44/1073033144.db2.gz NJVQIFAUCOUUSQ-ROUUACIJSA-N 0 0 425.489 -0.040 20 30 IBEDRN N#Cc1ccc(N2C[C@@H](C(=O)N[C@@H]3CC(=O)N(CCN4CCOCC4)C3)CC2=O)cc1 ZINC001116151444 1073033178 /nfs/dbraw/zinc/03/31/78/1073033178.db2.gz NJVQIFAUCOUUSQ-ZWKOTPCHSA-N 0 0 425.489 -0.040 20 30 IBEDRN C#CCN(C(=O)CNS(=O)(=O)c1ccc(CNC(C)=O)s1)[C@@H]1CCS(=O)(=O)C1 ZINC001116181142 1073034073 /nfs/dbraw/zinc/03/40/73/1073034073.db2.gz IPZYBPITKPQNJP-CYBMUJFWSA-N 0 0 447.560 -0.689 20 30 IBEDRN C#CCN(C(=O)CNS(=O)(=O)c1ccc(CNC(C)=O)s1)[C@H]1CCS(=O)(=O)C1 ZINC001116181143 1073034054 /nfs/dbraw/zinc/03/40/54/1073034054.db2.gz IPZYBPITKPQNJP-ZDUSSCGKSA-N 0 0 447.560 -0.689 20 30 IBEDRN C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(C(=O)N2CCOCC2)CC1 ZINC001116289067 1073036177 /nfs/dbraw/zinc/03/61/77/1073036177.db2.gz SMGLGTWLWLTPOO-HNNXBMFYSA-N 0 0 435.506 -0.179 20 30 IBEDRN C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(C(=O)N2CCOCC2)CC1 ZINC001116289068 1073036571 /nfs/dbraw/zinc/03/65/71/1073036571.db2.gz SMGLGTWLWLTPOO-OAHLLOKOSA-N 0 0 435.506 -0.179 20 30 IBEDRN N#Cc1cccc(NC(=O)CCN2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)c1 ZINC001116346502 1073038562 /nfs/dbraw/zinc/03/85/62/1073038562.db2.gz VMCOLCJJQBCQFE-GOSISDBHSA-N 0 0 433.534 -0.192 20 30 IBEDRN N#Cc1cccc(NC(=O)CCN2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)c1 ZINC001116346503 1073038626 /nfs/dbraw/zinc/03/86/26/1073038626.db2.gz VMCOLCJJQBCQFE-SFHVURJKSA-N 0 0 433.534 -0.192 20 30 IBEDRN N#Cc1ccc(OC[C@@H](O)CN2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC001116346750 1073038585 /nfs/dbraw/zinc/03/85/85/1073038585.db2.gz ZFPLPUWNVNDKKS-MSOLQXFVSA-N 0 0 436.534 -0.781 20 30 IBEDRN N#Cc1ccc(OC[C@H](O)CN2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC001116346751 1073038600 /nfs/dbraw/zinc/03/86/00/1073038600.db2.gz ZFPLPUWNVNDKKS-QZTJIDSGSA-N 0 0 436.534 -0.781 20 30 IBEDRN N#Cc1ccc(OC[C@@H](O)CN2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC001116346752 1073038671 /nfs/dbraw/zinc/03/86/71/1073038671.db2.gz ZFPLPUWNVNDKKS-ROUUACIJSA-N 0 0 436.534 -0.781 20 30 IBEDRN N#Cc1ccc(OC[C@H](O)CN2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC001116346753 1073038555 /nfs/dbraw/zinc/03/85/55/1073038555.db2.gz ZFPLPUWNVNDKKS-ZWKOTPCHSA-N 0 0 436.534 -0.781 20 30 IBEDRN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC001116350472 1073038929 /nfs/dbraw/zinc/03/89/29/1073038929.db2.gz BXRAHTUHLVCKBH-GJYPPUQNSA-N 0 0 427.571 -0.650 20 30 IBEDRN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001116350473 1073038953 /nfs/dbraw/zinc/03/89/53/1073038953.db2.gz BXRAHTUHLVCKBH-GPMSIDNRSA-N 0 0 427.571 -0.650 20 30 IBEDRN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC001116350474 1073038919 /nfs/dbraw/zinc/03/89/19/1073038919.db2.gz BXRAHTUHLVCKBH-JTDSTZFVSA-N 0 0 427.571 -0.650 20 30 IBEDRN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001116350475 1073038978 /nfs/dbraw/zinc/03/89/78/1073038978.db2.gz BXRAHTUHLVCKBH-MDZRGWNJSA-N 0 0 427.571 -0.650 20 30 IBEDRN Cn1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C[C@@H]3CCOC3)c2=O)cn1 ZINC001116353018 1073039002 /nfs/dbraw/zinc/03/90/02/1073039002.db2.gz BGTFCOWWTZPOJA-AWEZNQCLSA-N 0 0 429.502 -0.958 20 30 IBEDRN Cn1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C[C@H]3CCOC3)c2=O)cn1 ZINC001116353019 1073039019 /nfs/dbraw/zinc/03/90/19/1073039019.db2.gz BGTFCOWWTZPOJA-CQSZACIVSA-N 0 0 429.502 -0.958 20 30 IBEDRN COc1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CC(=O)N(C)C)c2=O)ccc1F ZINC001116373398 1073039381 /nfs/dbraw/zinc/03/93/81/1073039381.db2.gz DZWSSSQEUDNXDJ-UHFFFAOYSA-N 0 0 444.488 -0.073 20 30 IBEDRN COc1cc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(C)c2=O)ccc1F ZINC001116377836 1073039409 /nfs/dbraw/zinc/03/94/09/1073039409.db2.gz QFERMZJSHBBREI-UHFFFAOYSA-N 0 0 446.504 -0.454 20 30 IBEDRN C#CCn1c(=O)c(=Cc2csc(C)n2)sc1=C(C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC001116388640 1073039728 /nfs/dbraw/zinc/03/97/28/1073039728.db2.gz VXOGGEIINNQEHQ-UHFFFAOYSA-N 0 0 448.551 -0.932 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(CC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001116401584 1073039932 /nfs/dbraw/zinc/03/99/32/1073039932.db2.gz LHBSHYARUJVNSH-UHFFFAOYSA-N 0 0 429.543 -0.849 20 30 IBEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ncccc2C(F)(F)F)c(=O)n1CC(N)=O ZINC001116424911 1073041053 /nfs/dbraw/zinc/04/10/53/1073041053.db2.gz QLQOVMVNWYVZDS-UHFFFAOYSA-N 0 0 437.403 -0.386 20 30 IBEDRN O=C(CCNC(=O)C1N=CC=CC1=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC001116510636 1073043103 /nfs/dbraw/zinc/04/31/03/1073043103.db2.gz UYZFARGKXGFJIM-DNZUHHBVSA-N 0 0 426.495 -0.444 20 30 IBEDRN O=C(CCNC(=O)C1N=CC=CC1=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC001116510637 1073042884 /nfs/dbraw/zinc/04/28/84/1073042884.db2.gz UYZFARGKXGFJIM-IAFNSTAXSA-N 0 0 426.495 -0.444 20 30 IBEDRN O=C(CCNC(=O)C1N=CC=CC1=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC001116510638 1073043010 /nfs/dbraw/zinc/04/30/10/1073043010.db2.gz UYZFARGKXGFJIM-MGPWXQLLSA-N 0 0 426.495 -0.444 20 30 IBEDRN O=C(CCNC(=O)C1N=CC=CC1=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC001116510639 1073043121 /nfs/dbraw/zinc/04/31/21/1073043121.db2.gz UYZFARGKXGFJIM-YWMAMYRUSA-N 0 0 426.495 -0.444 20 30 IBEDRN CN(C)S(=O)(=O)N(C)CCc1noc(C/N=C2/NS(=O)(=O)c3ccccc32)n1 ZINC001116618043 1073044546 /nfs/dbraw/zinc/04/45/46/1073044546.db2.gz FCTVYJUOCIGZGY-UHFFFAOYSA-N 0 0 428.496 -0.411 20 30 IBEDRN CC1(Cn2cc(C(=O)NCC#CCNC(=O)c3cn(CC4(C)COC4)nn3)nn2)COC1 ZINC001116661173 1073045214 /nfs/dbraw/zinc/04/52/14/1073045214.db2.gz NDDNXELOFLOAPJ-UHFFFAOYSA-N 0 0 442.480 -0.894 20 30 IBEDRN Cc1nc(C#N)c(N2CCC(C(=O)N3CCN(C(=O)CN4C(=O)CCC4=O)CC3)CC2)o1 ZINC001116864838 1073049638 /nfs/dbraw/zinc/04/96/38/1073049638.db2.gz CIYGGUSAZNQSJZ-UHFFFAOYSA-N 0 0 442.476 -0.109 20 30 IBEDRN CN(C)C(=O)Cn1c(=O)c(=Cc2cnn(C)c2)sc1=C(C#N)C(=O)[C@H]1CCCOC1 ZINC001116873793 1073049993 /nfs/dbraw/zinc/04/99/93/1073049993.db2.gz KEDCKNFBYXMWII-AWEZNQCLSA-N 0 0 429.502 -0.770 20 30 IBEDRN CN(C)C(=O)Cn1c(=O)c(=Cc2cnn(C)c2)sc1=C(C#N)C(=O)[C@@H]1CCCOC1 ZINC001116873794 1073050114 /nfs/dbraw/zinc/05/01/14/1073050114.db2.gz KEDCKNFBYXMWII-CQSZACIVSA-N 0 0 429.502 -0.770 20 30 IBEDRN CS(=O)(=O)CCn1c(=O)c(=Cc2ccccn2)sc1=C(C#N)C(=O)[C@H]1CCCOC1 ZINC001116874478 1073049970 /nfs/dbraw/zinc/04/99/70/1073049970.db2.gz YWNMBLYFROTWNS-AWEZNQCLSA-N 0 0 447.538 -0.152 20 30 IBEDRN CS(=O)(=O)CCn1c(=O)c(=Cc2ccccn2)sc1=C(C#N)C(=O)[C@@H]1CCCOC1 ZINC001116874481 1073050004 /nfs/dbraw/zinc/05/00/04/1073050004.db2.gz YWNMBLYFROTWNS-CQSZACIVSA-N 0 0 447.538 -0.152 20 30 IBEDRN CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)NCC(=O)NCC#N)ccc2F)CC1 ZINC001117558683 1073055615 /nfs/dbraw/zinc/05/56/15/1073055615.db2.gz CHKDSIRWMMUDRS-UHFFFAOYSA-N 0 0 425.442 -0.952 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)CCc2c(C)nc(N3CCOCC3)[nH]c2=O)CC1 ZINC001117759954 1073057546 /nfs/dbraw/zinc/05/75/46/1073057546.db2.gz HKVFBOYVYHDBLO-UHFFFAOYSA-N 0 0 430.509 -0.847 20 30 IBEDRN C#CCNC(=O)CN1CCN(CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)CC1 ZINC001118302728 1073058290 /nfs/dbraw/zinc/05/82/90/1073058290.db2.gz GYOOPYDLQCATGI-UHFFFAOYSA-N 0 0 441.532 -0.858 20 30 IBEDRN C=CCNS(=O)(=O)c1cc(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)OC)ccc1F ZINC001121145596 1073061007 /nfs/dbraw/zinc/06/10/07/1073061007.db2.gz VZBRVYQLYCRDOW-CYBMUJFWSA-N 0 0 434.467 -0.298 20 30 IBEDRN C=CCNS(=O)(=O)c1cc(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)OC)ccc1F ZINC001121145597 1073061121 /nfs/dbraw/zinc/06/11/21/1073061121.db2.gz VZBRVYQLYCRDOW-ZDUSSCGKSA-N 0 0 434.467 -0.298 20 30 IBEDRN Cn1c(C(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)cc2c1nc1ccccn1c2=O ZINC001122502471 1073061667 /nfs/dbraw/zinc/06/16/67/1073061667.db2.gz PWPXNGRBDABHFO-CYBMUJFWSA-N 0 0 427.442 -0.234 20 30 IBEDRN Cn1c(C(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)cc2c1nc1ccccn1c2=O ZINC001122502472 1073061632 /nfs/dbraw/zinc/06/16/32/1073061632.db2.gz PWPXNGRBDABHFO-ZDUSSCGKSA-N 0 0 427.442 -0.234 20 30 IBEDRN C#CCNC(=O)C1CCN(C(=O)/C=C(/C)C(=O)N2CCC(C(=O)NCC#C)CC2)CC1 ZINC001123827190 1073062098 /nfs/dbraw/zinc/06/20/98/1073062098.db2.gz HTDGAUAITLXGBK-MSUUIHNZSA-N 0 0 426.517 -0.091 20 30 IBEDRN C#CCNC(=O)C1CCN(C(=O)/C=C(\C)C(=O)N2CCC(C(=O)NCC#C)CC2)CC1 ZINC001123827191 1073061991 /nfs/dbraw/zinc/06/19/91/1073061991.db2.gz HTDGAUAITLXGBK-WUKNDPDISA-N 0 0 426.517 -0.091 20 30 IBEDRN O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC001127448365 1072842382 /nfs/dbraw/zinc/84/23/82/1072842382.db2.gz HQHIISVJYQQDRZ-PXAZEXFGSA-N 0 0 427.504 -0.422 20 30 IBEDRN O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC001127448378 1072842347 /nfs/dbraw/zinc/84/23/47/1072842347.db2.gz HQHIISVJYQQDRZ-SJKOYZFVSA-N 0 0 427.504 -0.422 20 30 IBEDRN COC(=O)C1(C#N)CCN(C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CC1 ZINC001128961843 1073277276 /nfs/dbraw/zinc/27/72/76/1073277276.db2.gz GLVGXRCWFPTOGW-UHFFFAOYSA-N 0 0 434.474 -0.274 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)C1=O ZINC001133626653 1074002821 /nfs/dbraw/zinc/00/28/21/1074002821.db2.gz SQKWKUGKZQKEAK-UHFFFAOYSA-N 0 0 427.461 -0.019 20 30 IBEDRN CC(=O)NCC(=O)N1CCc2cc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)ccc21 ZINC001134056361 1074011915 /nfs/dbraw/zinc/01/19/15/1074011915.db2.gz OKWQGJFVAGVWPR-JXFKEZNVSA-N 0 0 430.486 -0.278 20 30 IBEDRN CC(C)(C)OC(=O)N1CCN(CC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)C(=O)C1 ZINC001134428784 1074015685 /nfs/dbraw/zinc/01/56/85/1074015685.db2.gz BCEHSHUJZKFOFH-SCLBCKFNSA-N 0 0 426.495 -0.538 20 30 IBEDRN CC(=O)NCC(=O)N1CCc2cc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)ccc21 ZINC001134429113 1074015716 /nfs/dbraw/zinc/01/57/16/1074015716.db2.gz OKWQGJFVAGVWPR-OXJNMPFZSA-N 0 0 430.486 -0.278 20 30 IBEDRN CC(C)(C)OC(=O)C1(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CCS(=O)(=O)CC1 ZINC001134429212 1074016019 /nfs/dbraw/zinc/01/60/19/1074016019.db2.gz SKZGEKKJOWGIDK-SUMWQHHRSA-N 0 0 446.547 -0.080 20 30 IBEDRN COC(=O)[C@@H]1CN(C)C(=O)CN1C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC001134547293 1074017171 /nfs/dbraw/zinc/01/71/71/1074017171.db2.gz NMZKEPGYPCAKPO-KRWDZBQOSA-N 0 0 448.501 -0.199 20 30 IBEDRN COC(=O)[C@H]1CN(C)C(=O)CN1C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC001134547294 1074017064 /nfs/dbraw/zinc/01/70/64/1074017064.db2.gz NMZKEPGYPCAKPO-QGZVFWFLSA-N 0 0 448.501 -0.199 20 30 IBEDRN CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1 ZINC001134645218 1074017485 /nfs/dbraw/zinc/01/74/85/1074017485.db2.gz CVMLTUCDASIUIE-KBXCAEBGSA-N 0 0 439.515 -0.441 20 30 IBEDRN COc1ccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1S(=O)(=O)N(C)C ZINC001134645433 1074017538 /nfs/dbraw/zinc/01/75/38/1074017538.db2.gz KYYKCIAFXCENAQ-SUMWQHHRSA-N 0 0 427.504 -0.044 20 30 IBEDRN N#C[C@]12CN(C(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)C[C@H]1CS(=O)(=O)C2 ZINC001134645750 1074017478 /nfs/dbraw/zinc/01/74/78/1074017478.db2.gz UHHULGITAZDKCI-MAUKXSAKSA-N 0 0 439.515 -0.282 20 30 IBEDRN C#CCN(C(=O)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1)[C@@H]1CCS(=O)(=O)C1 ZINC001136355097 1074052580 /nfs/dbraw/zinc/05/25/80/1074052580.db2.gz KFMWBDNNESNAQV-CYBMUJFWSA-N 0 0 448.544 -0.983 20 30 IBEDRN C#CCN(C(=O)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1)[C@H]1CCS(=O)(=O)C1 ZINC001136355098 1074052647 /nfs/dbraw/zinc/05/26/47/1074052647.db2.gz KFMWBDNNESNAQV-ZDUSSCGKSA-N 0 0 448.544 -0.983 20 30 IBEDRN CS(=O)(=O)N1CCN(CCNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CC1 ZINC001136407274 1074053570 /nfs/dbraw/zinc/05/35/70/1074053570.db2.gz SQOYODIOVSUDQV-UHFFFAOYSA-N 0 0 432.499 -0.570 20 30 IBEDRN C#CCNC(=O)CN1CCCN(C(=O)c2cc(I)nn2C)CC1 ZINC001136632757 1074058337 /nfs/dbraw/zinc/05/83/37/1074058337.db2.gz KJRRQSHSDJRZGJ-UHFFFAOYSA-N 0 0 429.262 -0.078 20 30 IBEDRN C#CCNC(=O)CN1CCCN(C(=O)c2cn(C)nc2I)CC1 ZINC001136632778 1074058199 /nfs/dbraw/zinc/05/81/99/1074058199.db2.gz LOLRYLVACJQNOJ-UHFFFAOYSA-N 0 0 429.262 -0.078 20 30 IBEDRN C#CCNC(=O)CN1CCCN(C(=O)C2(O)CN(C(=O)OCc3ccccc3)C2)CC1 ZINC001136632824 1074058267 /nfs/dbraw/zinc/05/82/67/1074058267.db2.gz NMIOIVIKEIZNQS-UHFFFAOYSA-N 0 0 428.489 -0.346 20 30 IBEDRN C#CCNC(=O)CN1CCCN(C(=O)[C@H]2C[C@H](O)CN2C(=O)Cc2ccccc2F)CC1 ZINC001136632867 1074058315 /nfs/dbraw/zinc/05/83/15/1074058315.db2.gz QPLGBIHQEHHUNR-AZUAARDMSA-N 0 0 444.507 -0.386 20 30 IBEDRN C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2C[C@H](O)CN2C(=O)Cc2ccccc2F)CC1 ZINC001136632868 1074058368 /nfs/dbraw/zinc/05/83/68/1074058368.db2.gz QPLGBIHQEHHUNR-ICSRJNTNSA-N 0 0 444.507 -0.386 20 30 IBEDRN C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2C[C@@H](O)CN2C(=O)Cc2ccccc2F)CC1 ZINC001136632869 1074058236 /nfs/dbraw/zinc/05/82/36/1074058236.db2.gz QPLGBIHQEHHUNR-QUCCMNQESA-N 0 0 444.507 -0.386 20 30 IBEDRN C#CCNC(=O)CN1CCCN(C(=O)[C@H]2C[C@@H](O)CN2C(=O)Cc2ccccc2F)CC1 ZINC001136632870 1074058703 /nfs/dbraw/zinc/05/87/03/1074058703.db2.gz QPLGBIHQEHHUNR-UYAOXDASSA-N 0 0 444.507 -0.386 20 30 IBEDRN C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(C(=O)N2CCN(C)CC2)CC1 ZINC001136664373 1074060321 /nfs/dbraw/zinc/06/03/21/1074060321.db2.gz ZABDZMJIPQJPEG-INIZCTEOSA-N 0 0 448.549 -0.263 20 30 IBEDRN C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(C(=O)N2CCN(C)CC2)CC1 ZINC001136664374 1074060385 /nfs/dbraw/zinc/06/03/85/1074060385.db2.gz ZABDZMJIPQJPEG-MRXNPFEDSA-N 0 0 448.549 -0.263 20 30 IBEDRN C#CCN1CCCN(C(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccccc2)CC1 ZINC001136862114 1074063265 /nfs/dbraw/zinc/06/32/65/1074063265.db2.gz YAQWBDHVIWGAIY-GOSISDBHSA-N 0 0 441.575 -0.064 20 30 IBEDRN C#CCN1CCCN(C(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccccc2)CC1 ZINC001136862115 1074063247 /nfs/dbraw/zinc/06/32/47/1074063247.db2.gz YAQWBDHVIWGAIY-SFHVURJKSA-N 0 0 441.575 -0.064 20 30 IBEDRN CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 ZINC001138250290 1073066938 /nfs/dbraw/zinc/06/69/38/1073066938.db2.gz UQWNVRJRQNENQW-AWEZNQCLSA-N 0 0 434.497 -0.218 20 30 IBEDRN CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 ZINC001138250291 1073067262 /nfs/dbraw/zinc/06/72/62/1073067262.db2.gz UQWNVRJRQNENQW-CQSZACIVSA-N 0 0 434.497 -0.218 20 30 IBEDRN CN1CCn2nc(C(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)cc2S1(=O)=O ZINC001139811008 1073071340 /nfs/dbraw/zinc/07/13/40/1073071340.db2.gz BJDNWNFIYLEKBQ-HNNXBMFYSA-N 0 0 428.474 -0.080 20 30 IBEDRN CN1CCn2nc(C(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)cc2S1(=O)=O ZINC001139811009 1073071362 /nfs/dbraw/zinc/07/13/62/1073071362.db2.gz BJDNWNFIYLEKBQ-OAHLLOKOSA-N 0 0 428.474 -0.080 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)c2ccc(Br)cc2-n2cnnn2)CC1 ZINC001140132569 1073071657 /nfs/dbraw/zinc/07/16/57/1073071657.db2.gz IYRHCEZIZIXGMK-UHFFFAOYSA-N 0 0 432.282 -0.068 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)c2ccc(S(=O)(=O)N3CCC(O)CC3)cc2)CC1 ZINC001140132687 1073071673 /nfs/dbraw/zinc/07/16/73/1073071673.db2.gz MJSZLUZTSUSERB-UHFFFAOYSA-N 0 0 448.545 -0.661 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)CN2c3ccc([N+](=O)[O-])cc3C(F)(F)C2=O)CC1 ZINC001140133202 1073071702 /nfs/dbraw/zinc/07/17/02/1073071702.db2.gz WGEOSDRZQWNVIV-UHFFFAOYSA-N 0 0 435.387 -0.073 20 30 IBEDRN CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)N[C@H]1CCN(O)C1=O ZINC001141380444 1073076528 /nfs/dbraw/zinc/07/65/28/1073076528.db2.gz PVBBEPPPSWSTDZ-HNNXBMFYSA-N 0 0 426.495 -0.259 20 30 IBEDRN CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)N[C@@H]1CCN(O)C1=O ZINC001141380445 1073076571 /nfs/dbraw/zinc/07/65/71/1073076571.db2.gz PVBBEPPPSWSTDZ-OAHLLOKOSA-N 0 0 426.495 -0.259 20 30 IBEDRN N#Cc1cnc(C(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)c(Cl)c1 ZINC001141917726 1073080992 /nfs/dbraw/zinc/08/09/92/1073080992.db2.gz BQIBJEXIIOARGF-GFCCVEGCSA-N 0 0 432.911 -0.119 20 30 IBEDRN N#Cc1cnc(C(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)c(Cl)c1 ZINC001141917727 1073081073 /nfs/dbraw/zinc/08/10/73/1073081073.db2.gz BQIBJEXIIOARGF-LBPRGKRZSA-N 0 0 432.911 -0.119 20 30 IBEDRN CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)c1 ZINC001141945451 1073082003 /nfs/dbraw/zinc/08/20/03/1073082003.db2.gz ZIBIRXNQIBQWBF-UHFFFAOYSA-N 0 0 445.497 -0.083 20 30 IBEDRN N#Cc1ccc(N2C[C@@]3(COCCN(C(=O)CN4CC(=O)NC4=O)C3)OCC2=O)cc1 ZINC001142089442 1073083557 /nfs/dbraw/zinc/08/35/57/1073083557.db2.gz ZMJGGGLCJUOXAX-FQEVSTJZSA-N 0 0 427.417 -0.929 20 30 IBEDRN N#Cc1ccc(N2C[C@]3(COCCN(C(=O)CN4CC(=O)NC4=O)C3)OCC2=O)cc1 ZINC001142089443 1073083577 /nfs/dbraw/zinc/08/35/77/1073083577.db2.gz ZMJGGGLCJUOXAX-HXUWFJFHSA-N 0 0 427.417 -0.929 20 30 IBEDRN CC(C)(CC(=O)N1CCCC1)N(CC(=O)N1C[C@@H](F)C[C@H]1C#N)C(=O)Cn1cnnn1 ZINC001142137788 1073084392 /nfs/dbraw/zinc/08/43/92/1073084392.db2.gz ZIKHXLWUIROVAO-GJZGRUSLSA-N 0 0 434.476 -0.245 20 30 IBEDRN Cn1c2ncn(CC(=O)N3CCN(C(=O)OC(C)(C)C)[C@H](C#N)C3)c2c(=O)n(C)c1=O ZINC001142385528 1073087017 /nfs/dbraw/zinc/08/70/17/1073087017.db2.gz NVEKVEHWMAUCLP-GFCCVEGCSA-N 0 0 431.453 -0.595 20 30 IBEDRN C=CCOCc1nn(C)c2c1CN(C(=O)Cn1cnc3c1c(=O)n(C)c(=O)n3C)CC2 ZINC001142385548 1073087119 /nfs/dbraw/zinc/08/71/19/1073087119.db2.gz OQAQSMQFPSZGRC-UHFFFAOYSA-N 0 0 427.465 -0.545 20 30 IBEDRN C=CCN1C(=O)CC[C@]12CCCN(C(=O)Cn1cnc3c1c(=O)n(C)c(=O)n3C)CC2 ZINC001142385903 1073087629 /nfs/dbraw/zinc/08/76/29/1073087629.db2.gz YWNBRVDWISKNQQ-NRFANRHFSA-N 0 0 428.493 -0.007 20 30 IBEDRN C=CCN1C(=O)CC[C@@]12CCCN(C(=O)Cn1cnc3c1c(=O)n(C)c(=O)n3C)CC2 ZINC001142385904 1073087421 /nfs/dbraw/zinc/08/74/21/1073087421.db2.gz YWNBRVDWISKNQQ-OAQYLSRUSA-N 0 0 428.493 -0.007 20 30 IBEDRN C=CCOC(=O)[C@H](Cc1ccccc1)NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC001142390965 1073088653 /nfs/dbraw/zinc/08/86/53/1073088653.db2.gz BOBJXZFYQNMKJE-HNNXBMFYSA-N 0 0 425.445 -0.110 20 30 IBEDRN Cn1c2ncn(CC(=O)NC3CCN(C(=O)c4ccccc4C#N)CC3)c2c(=O)n(C)c1=O ZINC001142392389 1073089454 /nfs/dbraw/zinc/08/94/54/1073089454.db2.gz OSRAAUVYDNINSV-UHFFFAOYSA-N 0 0 449.471 -0.274 20 30 IBEDRN CC(C)(C)OC(=O)C(C)(C)O/N=C(/C(=O)NC(CO)(CO)CO)c1csc(N)n1 ZINC001142493914 1073089657 /nfs/dbraw/zinc/08/96/57/1073089657.db2.gz WJCYZNGQOHPUCF-SRZZPIQSSA-N 0 0 432.499 -0.602 20 30 IBEDRN C=C(C)C(=O)N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)OCC)C(=O)OCC ZINC001142518303 1073090012 /nfs/dbraw/zinc/09/00/12/1073090012.db2.gz XBCZQRUSCBTVFL-STQMWFEESA-N 0 0 431.511 -0.516 20 30 IBEDRN CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](NC(=O)C1CC1)C(=O)OCC ZINC001142681959 1073091248 /nfs/dbraw/zinc/09/12/48/1073091248.db2.gz PFAXFIVADXLMOE-STQMWFEESA-N 0 0 431.511 -0.682 20 30 IBEDRN C=CCNS(=O)(=O)c1ccc(CC(=O)NCCS(=O)(=O)N2CCOCC2)s1 ZINC001142692643 1073091193 /nfs/dbraw/zinc/09/11/93/1073091193.db2.gz FBTJHXIIHSDBMM-UHFFFAOYSA-N 0 0 437.565 -0.467 20 30 IBEDRN CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](NC(=O)CC(C)C)C(=O)OCC ZINC001142711702 1073091616 /nfs/dbraw/zinc/09/16/16/1073091616.db2.gz LKZSUXTZXZJTAA-KBPBESRZSA-N 0 0 447.554 -0.046 20 30 IBEDRN CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](NC(=O)C(C)(C)C)C(=O)OCC ZINC001142781600 1073092067 /nfs/dbraw/zinc/09/20/67/1073092067.db2.gz AMFTZZMWIZEWKF-STQMWFEESA-N 0 0 447.554 -0.046 20 30 IBEDRN CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](NC(=O)C(F)F)C(=O)OCC ZINC001142792175 1073092009 /nfs/dbraw/zinc/09/20/09/1073092009.db2.gz LYCWRHKCGUKSGD-UWVGGRQHSA-N 0 0 441.453 -0.827 20 30 IBEDRN Cn1c(=O)cc(N2CCC[C@@H](NC(=O)C(N)=O)C2)n(Cc2cc(F)ccc2C#N)c1=O ZINC001142942114 1073090704 /nfs/dbraw/zinc/09/07/04/1073090704.db2.gz OCGFCEPNMHNPKY-OAHLLOKOSA-N 0 0 428.424 -0.824 20 30 IBEDRN CC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CCOC[C@@]2(CN(c3ccc(C#N)cc3)C(=O)CO2)C1 ZINC001143031021 1073093902 /nfs/dbraw/zinc/09/39/02/1073093902.db2.gz NGGKVCSMRZUXMW-DXIQSLLYSA-N 0 0 442.472 -0.499 20 30 IBEDRN CC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CCOC[C@]2(CN(c3ccc(C#N)cc3)C(=O)CO2)C1 ZINC001143031022 1073093730 /nfs/dbraw/zinc/09/37/30/1073093730.db2.gz NGGKVCSMRZUXMW-XQBPLPMBSA-N 0 0 442.472 -0.499 20 30 IBEDRN CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](NC(=O)CCC#N)C(=O)OCC ZINC001143204886 1073096107 /nfs/dbraw/zinc/09/61/07/1073096107.db2.gz CHBLHAAEQSVUAG-STQMWFEESA-N 0 0 444.510 -0.788 20 30 IBEDRN CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](NC(=O)[C@H]1C[C@@H]1F)C(=O)OCC ZINC001143446122 1071117423 /nfs/dbraw/zinc/11/74/23/1071117423.db2.gz QSUDEQVQQHHFAA-CYDGBPFRSA-N 0 0 449.501 -0.734 20 30 IBEDRN C/C(=C\C(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O)C(=O)c1ccc(Br)cc1 ZINC001143886818 1074069956 /nfs/dbraw/zinc/06/99/56/1074069956.db2.gz IHONSWUEUXZBTL-JTCGDKBFSA-N 0 0 430.251 -0.506 20 30 IBEDRN C/C(=C\C(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O)C(=O)c1ccc(Br)cc1 ZINC001143886819 1074069869 /nfs/dbraw/zinc/06/98/69/1074069869.db2.gz IHONSWUEUXZBTL-PFWRZOKVSA-N 0 0 430.251 -0.506 20 30 IBEDRN C#CC(=O)N(CCc1ccc(N)cc1)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O ZINC001143914238 1074070329 /nfs/dbraw/zinc/07/03/29/1074070329.db2.gz LBQPIEUFGPNSMQ-HAXDFEGKSA-N 0 0 438.444 -0.771 20 30 IBEDRN C#CC(=O)N[C@H](C(=O)N(c1ccc(CO)cc1)[C@@H](CCCNC(N)=O)C(N)=O)C(C)C ZINC001143915509 1074070250 /nfs/dbraw/zinc/07/02/50/1074070250.db2.gz CZRYSECZGUMWRN-WMZOPIPTSA-N 0 0 431.493 -0.412 20 30 IBEDRN CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](NC(=O)C=C(C)C)C(=O)OCC ZINC001143932311 1074070368 /nfs/dbraw/zinc/07/03/68/1074070368.db2.gz PVLIGNJULAHWFA-KBPBESRZSA-N 0 0 445.538 -0.125 20 30 IBEDRN C/C=C(\C)C(=O)N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)OCC)C(=O)OCC ZINC001143951938 1074070755 /nfs/dbraw/zinc/07/07/55/1074070755.db2.gz YLFIBKYNQSSWIQ-NUIMBWKGSA-N 0 0 445.538 -0.125 20 30 IBEDRN N#Cc1ccc(N2C[C@]3(COCCN(C(=O)[C@@H]4CC(=O)NC(=O)N4)C3)OCC2=O)cc1 ZINC001144325729 1074072870 /nfs/dbraw/zinc/07/28/70/1074072870.db2.gz JRJATWQNGYNLEG-MGPUTAFESA-N 0 0 427.417 -0.883 20 30 IBEDRN N#Cc1ccc(N2C[C@@]3(COCCN(C(=O)[C@@H]4CC(=O)NC(=O)N4)C3)OCC2=O)cc1 ZINC001144325730 1074072779 /nfs/dbraw/zinc/07/27/79/1074072779.db2.gz JRJATWQNGYNLEG-YWZLYKJASA-N 0 0 427.417 -0.883 20 30 IBEDRN C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)N3CCN(C)CC3)CC2)cc1 ZINC001144349467 1074072840 /nfs/dbraw/zinc/07/28/40/1074072840.db2.gz AGGWBHQCWVKFBJ-UHFFFAOYSA-N 0 0 433.534 -0.277 20 30 IBEDRN CN1CCN(C(=O)N2CCN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CC2)CC1 ZINC001144350286 1074072784 /nfs/dbraw/zinc/07/27/84/1074072784.db2.gz PPDWIPXTLJUMBA-UHFFFAOYSA-N 0 0 434.522 -0.763 20 30 IBEDRN C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)N3CCN(C)CC3)CC2)c1 ZINC001144350501 1074072798 /nfs/dbraw/zinc/07/27/98/1074072798.db2.gz UMLYGALQEJAYSN-UHFFFAOYSA-N 0 0 433.534 -0.277 20 30 IBEDRN C=C(Cc1ccccc1)C(=O)n1c(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3OC)c2nc1=N ZINC001144388966 1074074063 /nfs/dbraw/zinc/07/40/63/1074074063.db2.gz XKPCUCGYASQFJZ-KHTYJDQRSA-N 0 0 440.460 -0.001 20 30 IBEDRN C=C(Cc1ccccc1)C(=O)Nc1ncnc2c1[nH]c(=O)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O ZINC001144389019 1074074075 /nfs/dbraw/zinc/07/40/75/1074074075.db2.gz ZTZNDEISWCSWSM-QEPJRFBGSA-N 0 0 427.417 -0.119 20 30 IBEDRN CC(=O)N[C@@H](CS)C(=O)N1Cc2ncn(C)c2[C@H](COCCN2CCOCC2)C1 ZINC001144406305 1074074100 /nfs/dbraw/zinc/07/41/00/1074074100.db2.gz AORAVEUHRQLVIF-RDJZCZTQSA-N 0 0 425.555 -0.371 20 30 IBEDRN CC(=O)N[C@@H](CS)C(=O)N1Cc2ncn(C)c2[C@@H](COCCN2CCOCC2)C1 ZINC001144406306 1074074043 /nfs/dbraw/zinc/07/40/43/1074074043.db2.gz AORAVEUHRQLVIF-WBVHZDCISA-N 0 0 425.555 -0.371 20 30 IBEDRN CC(=O)N[C@@H](CS)C(=O)N1CCOC[C@]2(CN(c3ccc(C#N)cc3)C(=O)CO2)C1 ZINC001144406569 1074074035 /nfs/dbraw/zinc/07/40/35/1074074035.db2.gz KRKJIAOVKJADME-FXAWDEMLSA-N 0 0 432.502 -0.046 20 30 IBEDRN CC(=O)N[C@@H](CS)C(=O)N1CCOC[C@@]2(CN(c3ccc(C#N)cc3)C(=O)CO2)C1 ZINC001144406570 1074073964 /nfs/dbraw/zinc/07/39/64/1074073964.db2.gz KRKJIAOVKJADME-PXNSSMCTSA-N 0 0 432.502 -0.046 20 30 IBEDRN CC(=O)N[C@@H](CS)C(=O)N1C[C@H]2C[C@H]3[C@@](CN(Cc4ccncc4)S3(=O)=O)(C1)O2 ZINC001144406699 1074074398 /nfs/dbraw/zinc/07/43/98/1074074398.db2.gz PBLIBASLZPIDAM-CVYDXHPNSA-N 0 0 440.547 -0.600 20 30 IBEDRN CC(=O)N[C@@H](CS)C(=O)N1CCC2(CN(S(C)(=O)=O)C[C@@]23CCN(C)C3=O)CC1 ZINC001144406738 1074074363 /nfs/dbraw/zinc/07/43/63/1074074363.db2.gz QLZPNNQVZLXPOZ-KBXCAEBGSA-N 0 0 446.595 -0.847 20 30 IBEDRN CC(=O)N[C@@H](CS)C(=O)N1CCC2(CN(S(C)(=O)=O)C[C@]23CCN(C)C3=O)CC1 ZINC001144406739 1074074604 /nfs/dbraw/zinc/07/46/04/1074074604.db2.gz QLZPNNQVZLXPOZ-KSSFIOAISA-N 0 0 446.595 -0.847 20 30 IBEDRN CC(=O)N[C@@H](CS)C(=O)N1CCCn2c(=O)cc(CNC(=O)c3ccco3)nc2C1 ZINC001144406970 1074073895 /nfs/dbraw/zinc/07/38/95/1074073895.db2.gz ZTKQUHGGOMOUBR-AWEZNQCLSA-N 0 0 433.490 -0.067 20 30 IBEDRN COc1nccn(C(=O)[C@H](CS)NC(C)=O)c1=NS(=O)(=O)c1ccc(N)cc1 ZINC001144411035 1074073994 /nfs/dbraw/zinc/07/39/94/1074073994.db2.gz OMAMRUGSLBBSGI-ZDUSSCGKSA-N 0 0 425.492 -0.162 20 30 IBEDRN CC(=O)N[C@@H](CS)C(=O)Nc1cc(Cl)c(S(N)(=O)=O)cc1S(N)(=O)=O ZINC001144411041 1074074120 /nfs/dbraw/zinc/07/41/20/1074074120.db2.gz OSROVDTZALBXER-QMMMGPOBSA-N 0 0 430.917 -0.992 20 30 IBEDRN CC(=O)N[C@@H](CS)C(=O)NCC(=O)NCC(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC001144415158 1074074613 /nfs/dbraw/zinc/07/46/13/1074074613.db2.gz DRZOJRQQCHXECW-AWEZNQCLSA-N 0 0 434.474 -0.293 20 30 IBEDRN CC(=O)N[C@@H](CS)C(=O)NCCS(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001144417177 1074074663 /nfs/dbraw/zinc/07/46/63/1074074663.db2.gz JGGPTYUPTNQCPP-ZDUSSCGKSA-N 0 0 438.572 -0.580 20 30 IBEDRN CCOC(=O)[C@H](NC(=O)[C@H](CS)NC(C)=O)[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001144427032 1074074516 /nfs/dbraw/zinc/07/45/16/1074074516.db2.gz QABUZVAXRJPASE-ZNMIVQPWSA-N 0 0 432.520 -0.394 20 30 IBEDRN N#Cc1ccc(N2C[C@@]3(COCCN(C(=O)CCCS(N)(=O)=O)C3)OCC2=O)cc1 ZINC001144583143 1074075765 /nfs/dbraw/zinc/07/57/65/1074075765.db2.gz UGPCXFZRRLOPNX-IBGZPJMESA-N 0 0 436.490 -0.412 20 30 IBEDRN N#Cc1ccc(N2C[C@]3(COCCN(C(=O)CCCS(N)(=O)=O)C3)OCC2=O)cc1 ZINC001144583144 1074075731 /nfs/dbraw/zinc/07/57/31/1074075731.db2.gz UGPCXFZRRLOPNX-LJQANCHMSA-N 0 0 436.490 -0.412 20 30 IBEDRN N#Cc1cnn(-c2ccccc2Br)c1NC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144892275 1074081657 /nfs/dbraw/zinc/08/16/57/1074081657.db2.gz HEWCRHQJCMTZJP-FRRDWIJNSA-N 0 0 439.222 -0.911 20 30 IBEDRN N#Cc1cnn(-c2ccccc2Br)c1NC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144892283 1074081680 /nfs/dbraw/zinc/08/16/80/1074081680.db2.gz HEWCRHQJCMTZJP-JHJVBQTASA-N 0 0 439.222 -0.911 20 30 IBEDRN N#Cc1cnn(-c2ccccc2Br)c1NC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144892284 1074081622 /nfs/dbraw/zinc/08/16/22/1074081622.db2.gz HEWCRHQJCMTZJP-RWMBFGLXSA-N 0 0 439.222 -0.911 20 30 IBEDRN N#Cc1cnn(-c2ccccc2Br)c1NC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144892285 1074081692 /nfs/dbraw/zinc/08/16/92/1074081692.db2.gz HEWCRHQJCMTZJP-YNEHKIRRSA-N 0 0 439.222 -0.911 20 30 IBEDRN CCOC(=O)[C@@H]1CCCc2sc(NC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)c(C#N)c21 ZINC001144893553 1074082046 /nfs/dbraw/zinc/08/20/46/1074082046.db2.gz MVUYDFJBHQTNKP-DURYJLSESA-N 0 0 426.447 -0.815 20 30 IBEDRN CCOC(=O)[C@@H]1CCCc2sc(NC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)c(C#N)c21 ZINC001144893562 1074082026 /nfs/dbraw/zinc/08/20/26/1074082026.db2.gz MVUYDFJBHQTNKP-KNJXUWEQSA-N 0 0 426.447 -0.815 20 30 IBEDRN CCOC(=O)[C@@H]1CCCc2sc(NC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)c(C#N)c21 ZINC001144893567 1074082098 /nfs/dbraw/zinc/08/20/98/1074082098.db2.gz MVUYDFJBHQTNKP-UMGHXEBTSA-N 0 0 426.447 -0.815 20 30 IBEDRN CCOC(=O)[C@@H]1CCCc2sc(NC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)c(C#N)c21 ZINC001144893568 1074082169 /nfs/dbraw/zinc/08/21/69/1074082169.db2.gz MVUYDFJBHQTNKP-ZLBRTTDGSA-N 0 0 426.447 -0.815 20 30 IBEDRN C[Si](C)(C)C#Cc1nc(Br)cnc1NC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144895518 1074078449 /nfs/dbraw/zinc/07/84/49/1074078449.db2.gz VBNZCUJFJLJJTM-ADEWGFFLSA-N 0 0 446.330 -0.949 20 30 IBEDRN C[Si](C)(C)C#Cc1nc(Br)cnc1NC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144895527 1074078637 /nfs/dbraw/zinc/07/86/37/1074078637.db2.gz VBNZCUJFJLJJTM-MVWJERBFSA-N 0 0 446.330 -0.949 20 30 IBEDRN C[Si](C)(C)C#Cc1nc(Br)cnc1NC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144895530 1074078649 /nfs/dbraw/zinc/07/86/49/1074078649.db2.gz VBNZCUJFJLJJTM-YUSALJHKSA-N 0 0 446.330 -0.949 20 30 IBEDRN C[Si](C)(C)C#Cc1nc(Br)cnc1NC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144895532 1074078660 /nfs/dbraw/zinc/07/86/60/1074078660.db2.gz VBNZCUJFJLJJTM-ZMLRMANQSA-N 0 0 446.330 -0.949 20 30 IBEDRN N#CC1(c2ccc(Br)cc2)CCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)CC1 ZINC001144900627 1074079447 /nfs/dbraw/zinc/07/94/47/1074079447.db2.gz UEWZCZNISHEXMO-QLFBSQMISA-N 0 0 441.278 -0.523 20 30 IBEDRN N#CC1(c2ccc(Br)cc2)CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)CC1 ZINC001144900633 1074079466 /nfs/dbraw/zinc/07/94/66/1074079466.db2.gz UEWZCZNISHEXMO-RBSFLKMASA-N 0 0 441.278 -0.523 20 30 IBEDRN N#CC1(c2ccc(Br)cc2)CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)CC1 ZINC001144900645 1074079442 /nfs/dbraw/zinc/07/94/42/1074079442.db2.gz UEWZCZNISHEXMO-RRFJBIMHSA-N 0 0 441.278 -0.523 20 30 IBEDRN N#CC1(c2ccc(Br)cc2)CCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)CC1 ZINC001144900649 1074079307 /nfs/dbraw/zinc/07/93/07/1074079307.db2.gz UEWZCZNISHEXMO-SOUVJXGZSA-N 0 0 441.278 -0.523 20 30 IBEDRN N#CC(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)C1 ZINC001144900740 1074079321 /nfs/dbraw/zinc/07/93/21/1074079321.db2.gz ULUBFPYEDMJACQ-IVAOSVALSA-N 0 0 438.480 -0.011 20 30 IBEDRN N#CC(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)C1 ZINC001144900741 1074079892 /nfs/dbraw/zinc/07/98/92/1074079892.db2.gz ULUBFPYEDMJACQ-MXEMCNAFSA-N 0 0 438.480 -0.011 20 30 IBEDRN N#CC(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)C1 ZINC001144900742 1074079821 /nfs/dbraw/zinc/07/98/21/1074079821.db2.gz ULUBFPYEDMJACQ-PLACYPQZSA-N 0 0 438.480 -0.011 20 30 IBEDRN N#CC(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)C1 ZINC001144900743 1074079794 /nfs/dbraw/zinc/07/97/94/1074079794.db2.gz ULUBFPYEDMJACQ-XRXFAXGQSA-N 0 0 438.480 -0.011 20 30 IBEDRN CC(C)(C)OC(=O)NCCNC(=O)/C=C/C(=O)n1c(N)c(C#N)c(N)nc1=NC1CC1 ZINC001146356719 1074093845 /nfs/dbraw/zinc/09/38/45/1074093845.db2.gz MNCPHQGNSRJLKF-VOTSOKGWSA-N 0 0 430.469 -0.180 20 30 IBEDRN N#Cc1cccc(N2CCOC[C@@]3(CCCN(C(=O)C4=C[C@@H](O)[C@@H](O)[C@H](O)C4)C3)C2)n1 ZINC001146619707 1074096559 /nfs/dbraw/zinc/09/65/59/1074096559.db2.gz TXMSXTZMABJYCL-DBQGFPOUSA-N 0 0 428.489 -0.189 20 30 IBEDRN N#Cc1cccc(N2CCOC[C@]3(CCCN(C(=O)C4=C[C@@H](O)[C@@H](O)[C@H](O)C4)C3)C2)n1 ZINC001146619716 1074096569 /nfs/dbraw/zinc/09/65/69/1074096569.db2.gz TXMSXTZMABJYCL-RMEPHLEKSA-N 0 0 428.489 -0.189 20 30 IBEDRN CC(C)(C)OC(=O)C(C)(C)O/N=C(/C(=O)N1CCO[C@H](C(N)=O)C1)c1nsc(N)n1 ZINC001146632307 1074097333 /nfs/dbraw/zinc/09/73/33/1074097333.db2.gz QIDSGAQQLVSQPG-LCCAPQRVSA-N 0 0 442.498 -0.326 20 30 IBEDRN CC(C)(C)OC(=O)C(C)(C)O/N=C(/C(=O)N1CCO[C@@H](C(N)=O)C1)c1nsc(N)n1 ZINC001146632310 1074097218 /nfs/dbraw/zinc/09/72/18/1074097218.db2.gz QIDSGAQQLVSQPG-OTCZBXRXSA-N 0 0 442.498 -0.326 20 30 IBEDRN COC(=O)[C@@H](NC(=O)/C(=N/OC(C)(C)C(=O)OC(C)(C)C)c1nsc(N)n1)[C@@H](C)O ZINC001146633380 1074097368 /nfs/dbraw/zinc/09/73/68/1074097368.db2.gz DVPFZXPAXIZOMJ-KYZNLXFBSA-N 0 0 445.498 0.000 20 30 IBEDRN CC(C)(C)OC(=O)C(C)(C)O/N=C(/C(=O)N[C@H]1CCC(=O)NC1=O)c1nsc(N)n1 ZINC001146634311 1074097418 /nfs/dbraw/zinc/09/74/18/1074097418.db2.gz WQUNZQIARAVIGF-JQGWCTGNSA-N 0 0 440.482 -0.117 20 30 IBEDRN CC(C)(C)OC(=O)C(C)(C)O/N=C(/C(=O)N[C@@H]1CCC(=O)NC1=O)c1nsc(N)n1 ZINC001146634314 1074097283 /nfs/dbraw/zinc/09/72/83/1074097283.db2.gz WQUNZQIARAVIGF-UFPOMJRJSA-N 0 0 440.482 -0.117 20 30 IBEDRN CC(C)(C)OC(=O)C(C)(C)O/N=C(/C(=O)N1C[C@H](O)C[C@@H]1CO)c1nsc(N)n1 ZINC001146642082 1074097229 /nfs/dbraw/zinc/09/72/29/1074097229.db2.gz DEEJKIVKDHSTEA-OVHADSLQSA-N 0 0 429.499 -0.085 20 30 IBEDRN CC(C)(C)OC(=O)C(C)(C)O/N=C(/C(=O)NC[C@H]1CNC(=O)CO1)c1nsc(N)n1 ZINC001146643758 1074097401 /nfs/dbraw/zinc/09/74/01/1074097401.db2.gz ZYLDMTYEEKXGBO-OORGZDJISA-N 0 0 442.498 -0.408 20 30 IBEDRN CC(C)(C)OC(=O)C(C)(C)O/N=C(/C(=O)NC[C@@H]1CNC(=O)CO1)c1nsc(N)n1 ZINC001146643760 1074097387 /nfs/dbraw/zinc/09/73/87/1074097387.db2.gz ZYLDMTYEEKXGBO-UUQFTRCVSA-N 0 0 442.498 -0.408 20 30 IBEDRN C[C@H](CC(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1)/N=C1/NS(=O)(=O)c2ccccc21 ZINC001147370645 1074101699 /nfs/dbraw/zinc/10/16/99/1074101699.db2.gz PRZJMZVSERIHAG-CHWSQXEVSA-N 0 0 428.536 -0.004 20 30 IBEDRN C[C@@H](CC(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1)/N=C1/NS(=O)(=O)c2ccccc21 ZINC001147370649 1074101714 /nfs/dbraw/zinc/10/17/14/1074101714.db2.gz PRZJMZVSERIHAG-QWHCGFSZSA-N 0 0 428.536 -0.004 20 30 IBEDRN N#Cc1ccc(N2C[C@@]3(COCCN(C(=O)c4nccnc4C(N)=O)C3)OCC2=O)cc1 ZINC001147752517 1074105912 /nfs/dbraw/zinc/10/59/12/1074105912.db2.gz SJMMAANKOJQALJ-NRFANRHFSA-N 0 0 436.428 -0.278 20 30 IBEDRN N#Cc1ccc(N2C[C@]3(COCCN(C(=O)c4nccnc4C(N)=O)C3)OCC2=O)cc1 ZINC001147752518 1074106031 /nfs/dbraw/zinc/10/60/31/1074106031.db2.gz SJMMAANKOJQALJ-OAQYLSRUSA-N 0 0 436.428 -0.278 20 30 IBEDRN C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@@]1(CO)COCC2(CCC2)N1C ZINC001147824388 1074107485 /nfs/dbraw/zinc/10/74/85/1074107485.db2.gz YSISULZMTGYRPF-FOIQADDNSA-N 0 0 436.534 -0.043 20 30 IBEDRN C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@@]1(CO)COCC2(CCC2)N1C ZINC001147824396 1074107479 /nfs/dbraw/zinc/10/74/79/1074107479.db2.gz YSISULZMTGYRPF-MGPUTAFESA-N 0 0 436.534 -0.043 20 30 IBEDRN C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@]1(CO)COCC2(CCC2)N1C ZINC001147824399 1074107522 /nfs/dbraw/zinc/10/75/22/1074107522.db2.gz YSISULZMTGYRPF-QRWLVFNGSA-N 0 0 436.534 -0.043 20 30 IBEDRN C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@]1(CO)COCC2(CCC2)N1C ZINC001147824401 1074107463 /nfs/dbraw/zinc/10/74/63/1074107463.db2.gz YSISULZMTGYRPF-YWZLYKJASA-N 0 0 436.534 -0.043 20 30 IBEDRN C[C@@H]1COc2c(N3CCN(C)CC3)c(F)cc3c2n1cc(C(=O)N[C@@H](C#N)C(N)=O)c3=O ZINC001148162287 1074110603 /nfs/dbraw/zinc/11/06/03/1074110603.db2.gz AGWFPZWALUMTEK-ABAIWWIYSA-N 0 0 442.451 -0.047 20 30 IBEDRN C[C@@H]1COc2c(N3CCN(C)CC3)c(F)cc3c2n1cc(C(=O)N[C@H](C#N)C(N)=O)c3=O ZINC001148162288 1074110639 /nfs/dbraw/zinc/11/06/39/1074110639.db2.gz AGWFPZWALUMTEK-IAQYHMDHSA-N 0 0 442.451 -0.047 20 30 IBEDRN C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c2n1cc(C(=O)N[C@@H](C#N)C(N)=O)c3=O ZINC001148162289 1074110569 /nfs/dbraw/zinc/11/05/69/1074110569.db2.gz AGWFPZWALUMTEK-NHYWBVRUSA-N 0 0 442.451 -0.047 20 30 IBEDRN C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c2n1cc(C(=O)N[C@H](C#N)C(N)=O)c3=O ZINC001148162290 1074110575 /nfs/dbraw/zinc/11/05/75/1074110575.db2.gz AGWFPZWALUMTEK-XHDPSFHLSA-N 0 0 442.451 -0.047 20 30 IBEDRN CC#CCS(=O)(=O)c1cccc(C(=O)N2C[C@@H](N3C(=O)CNC3=O)C[C@H]2C(=O)OC)c1 ZINC001148186834 1074111359 /nfs/dbraw/zinc/11/13/59/1074111359.db2.gz IJFZADOQDWYCSW-HOCLYGCPSA-N 0 0 447.469 -0.209 20 30 IBEDRN C=C[C@H](CO)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC001148559729 1074113986 /nfs/dbraw/zinc/11/39/86/1074113986.db2.gz XLNNVJDBMIQYTI-OAHLLOKOSA-N 0 0 425.507 -0.029 20 30 IBEDRN CC(C)Oc1ccc(C(=O)N[C@H]2[C@H](n3ccc(N)nc3=O)O[C@H](CO)[C@H]2O)cc1C#N ZINC001148777715 1074115073 /nfs/dbraw/zinc/11/50/73/1074115073.db2.gz SHWWVPHLYJKOJK-KLICCBINSA-N 0 0 429.433 -0.224 20 30 IBEDRN N#Cc1c(N)nc(=NC2CC2)n(C(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c1N ZINC001149101141 1073062568 /nfs/dbraw/zinc/06/25/68/1073062568.db2.gz SEOSKQFDZLVHEM-UHFFFAOYSA-N 0 0 443.489 -0.308 20 30 IBEDRN CC(C)(C)OC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C(=O)N2CCN(C(=O)CC#N)CC2)C1 ZINC001150000511 1073100650 /nfs/dbraw/zinc/10/06/50/1073100650.db2.gz MEFKCHYSTIZVTF-AUUYWEPGSA-N 0 0 440.522 -0.147 20 30 IBEDRN CC(C)n1cnc([C@H]2CN(S(C)(=O)=O)c3ccc(C(=O)N[C@@H](C#N)C(N)=O)cc32)n1 ZINC001150061878 1073101143 /nfs/dbraw/zinc/10/11/43/1073101143.db2.gz KVZBXPLWCHEZOA-KBPBESRZSA-N 0 0 431.478 -0.122 20 30 IBEDRN CC(C)n1cnc([C@@H]2CN(S(C)(=O)=O)c3ccc(C(=O)N[C@@H](C#N)C(N)=O)cc32)n1 ZINC001150061879 1073101123 /nfs/dbraw/zinc/10/11/23/1073101123.db2.gz KVZBXPLWCHEZOA-KGLIPLIRSA-N 0 0 431.478 -0.122 20 30 IBEDRN CC(C)n1cnc([C@H]2CN(S(C)(=O)=O)c3ccc(C(=O)N[C@H](C#N)C(N)=O)cc32)n1 ZINC001150061880 1073101189 /nfs/dbraw/zinc/10/11/89/1073101189.db2.gz KVZBXPLWCHEZOA-UONOGXRCSA-N 0 0 431.478 -0.122 20 30 IBEDRN CC(C)n1cnc([C@@H]2CN(S(C)(=O)=O)c3ccc(C(=O)N[C@H](C#N)C(N)=O)cc32)n1 ZINC001150061881 1073101165 /nfs/dbraw/zinc/10/11/65/1073101165.db2.gz KVZBXPLWCHEZOA-ZIAGYGMSSA-N 0 0 431.478 -0.122 20 30 IBEDRN CS(=O)(=O)N1CCN(c2ccc3ccc(C(=O)n4nc(N)c(C#N)c4N)cn32)CC1 ZINC001150175900 1073101578 /nfs/dbraw/zinc/10/15/78/1073101578.db2.gz YMMIZHRMSQCTDM-UHFFFAOYSA-N 0 0 428.478 -0.058 20 30 IBEDRN O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(C[C@@H]2CCCS2(=O)=O)CC1 ZINC001150305183 1073103711 /nfs/dbraw/zinc/10/37/11/1073103711.db2.gz RUUQSZDKDAZJEM-AWEZNQCLSA-N 0 0 440.547 -0.554 20 30 IBEDRN O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(C[C@H]2CCCS2(=O)=O)CC1 ZINC001150305184 1073103728 /nfs/dbraw/zinc/10/37/28/1073103728.db2.gz RUUQSZDKDAZJEM-CQSZACIVSA-N 0 0 440.547 -0.554 20 30 IBEDRN CN1CCN(Cc2ccccn2)C[C@@H]1c1nnc2ccc(C(=O)N[C@@H](C#N)C(N)=O)cn21 ZINC001150334770 1073104353 /nfs/dbraw/zinc/10/43/53/1073104353.db2.gz YSJBEDLZDXDODL-DLBZAZTESA-N 0 0 433.476 -0.280 20 30 IBEDRN CN1CCN(Cc2ccccn2)C[C@@H]1c1nnc2ccc(C(=O)N[C@H](C#N)C(N)=O)cn21 ZINC001150334771 1073104225 /nfs/dbraw/zinc/10/42/25/1073104225.db2.gz YSJBEDLZDXDODL-IAGOWNOFSA-N 0 0 433.476 -0.280 20 30 IBEDRN CN1CCN(Cc2ccccn2)C[C@H]1c1nnc2ccc(C(=O)N[C@@H](C#N)C(N)=O)cn21 ZINC001150334772 1073104167 /nfs/dbraw/zinc/10/41/67/1073104167.db2.gz YSJBEDLZDXDODL-IRXDYDNUSA-N 0 0 433.476 -0.280 20 30 IBEDRN CN1CCN(Cc2ccccn2)C[C@H]1c1nnc2ccc(C(=O)N[C@H](C#N)C(N)=O)cn21 ZINC001150334773 1073104274 /nfs/dbraw/zinc/10/42/74/1073104274.db2.gz YSJBEDLZDXDODL-SJORKVTESA-N 0 0 433.476 -0.280 20 30 IBEDRN C=C[C@@H](CO)NC(=O)c1ncn2c1CN(CC(=O)N(C)C)S(=O)(=O)c1ccccc1-2 ZINC001150383858 1073105455 /nfs/dbraw/zinc/10/54/55/1073105455.db2.gz QDPFWLLXXORWIL-ZDUSSCGKSA-N 0 0 433.490 -0.259 20 30 IBEDRN CN(C)C(=O)N1CCN(C)[C@@H](c2nnc3ccc(C(=O)n4nc(N)c(C#N)c4N)cn32)C1 ZINC001150418673 1073106738 /nfs/dbraw/zinc/10/67/38/1073106738.db2.gz BZHJZXCNOCURFX-CYBMUJFWSA-N 0 0 437.468 -0.380 20 30 IBEDRN CN(C)C(=O)N1CCN(C)[C@H](c2nnc3ccc(C(=O)n4nc(N)c(C#N)c4N)cn32)C1 ZINC001150418674 1073106752 /nfs/dbraw/zinc/10/67/52/1073106752.db2.gz BZHJZXCNOCURFX-ZDUSSCGKSA-N 0 0 437.468 -0.380 20 30 IBEDRN CN(C)C(=O)N1CCN(C)[C@H](c2nnc3ccc(C(=O)N4CCNC[C@H]4C#N)cn32)C1 ZINC001150420651 1073107881 /nfs/dbraw/zinc/10/78/81/1073107881.db2.gz QTDGNLHSQKNTSM-CVEARBPZSA-N 0 0 425.497 -0.363 20 30 IBEDRN CN(C)C(=O)N1CCN(C)[C@H](c2nnc3ccc(C(=O)N4CCNC[C@@H]4C#N)cn32)C1 ZINC001150420652 1073107897 /nfs/dbraw/zinc/10/78/97/1073107897.db2.gz QTDGNLHSQKNTSM-HOTGVXAUSA-N 0 0 425.497 -0.363 20 30 IBEDRN CN(C)C(=O)N1CCN(C)[C@@H](c2nnc3ccc(C(=O)N4CCNC[C@H]4C#N)cn32)C1 ZINC001150420653 1073107935 /nfs/dbraw/zinc/10/79/35/1073107935.db2.gz QTDGNLHSQKNTSM-HZPDHXFCSA-N 0 0 425.497 -0.363 20 30 IBEDRN CN(C)C(=O)N1CCN(C)[C@@H](c2nnc3ccc(C(=O)N4CCNC[C@@H]4C#N)cn32)C1 ZINC001150420654 1073107964 /nfs/dbraw/zinc/10/79/64/1073107964.db2.gz QTDGNLHSQKNTSM-JKSUJKDBSA-N 0 0 425.497 -0.363 20 30 IBEDRN COC(=O)[C@H](CS)NC(=O)c1ccc2nnc([C@@H]3CN(C(=O)N(C)C)CCN3C)n2c1 ZINC001150423142 1073109544 /nfs/dbraw/zinc/10/95/44/1073109544.db2.gz QDNOSZMAQJVENK-KBPBESRZSA-N 0 0 449.537 -0.099 20 30 IBEDRN COC(=O)[C@H](CS)NC(=O)c1ccc2nnc([C@H]3CN(C(=O)N(C)C)CCN3C)n2c1 ZINC001150423143 1073109552 /nfs/dbraw/zinc/10/95/52/1073109552.db2.gz QDNOSZMAQJVENK-UONOGXRCSA-N 0 0 449.537 -0.099 20 30 IBEDRN CCOC(=O)[C@@H](C#N)NC(=O)c1ccc2nnc([C@@H]3CN(C(=O)N(C)C)CCN3C)n2c1 ZINC001150427743 1073109568 /nfs/dbraw/zinc/10/95/68/1073109568.db2.gz APTSIRFDZPRUKO-CABCVRRESA-N 0 0 442.480 -0.116 20 30 IBEDRN CCOC(=O)[C@H](C#N)NC(=O)c1ccc2nnc([C@@H]3CN(C(=O)N(C)C)CCN3C)n2c1 ZINC001150427749 1073109603 /nfs/dbraw/zinc/10/96/03/1073109603.db2.gz APTSIRFDZPRUKO-GJZGRUSLSA-N 0 0 442.480 -0.116 20 30 IBEDRN CCOC(=O)[C@@H](C#N)NC(=O)c1ccc2nnc([C@H]3CN(C(=O)N(C)C)CCN3C)n2c1 ZINC001150427753 1073109526 /nfs/dbraw/zinc/10/95/26/1073109526.db2.gz APTSIRFDZPRUKO-HUUCEWRRSA-N 0 0 442.480 -0.116 20 30 IBEDRN CCOC(=O)[C@H](C#N)NC(=O)c1ccc2nnc([C@H]3CN(C(=O)N(C)C)CCN3C)n2c1 ZINC001150427757 1073109556 /nfs/dbraw/zinc/10/95/56/1073109556.db2.gz APTSIRFDZPRUKO-LSDHHAIUSA-N 0 0 442.480 -0.116 20 30 IBEDRN CN1CCN(c2ncccn2)C[C@@H]1c1nnc2ccc(C(=O)N3CCNC[C@@H]3C#N)cn21 ZINC001150427961 1073110020 /nfs/dbraw/zinc/11/00/20/1073110020.db2.gz AZEZLFGFKICBKA-DLBZAZTESA-N 0 0 432.492 -0.050 20 30 IBEDRN CN1CCN(c2ncccn2)C[C@@H]1c1nnc2ccc(C(=O)N3CCNC[C@H]3C#N)cn21 ZINC001150427962 1073110048 /nfs/dbraw/zinc/11/00/48/1073110048.db2.gz AZEZLFGFKICBKA-IAGOWNOFSA-N 0 0 432.492 -0.050 20 30 IBEDRN CN1CCN(c2ncccn2)C[C@H]1c1nnc2ccc(C(=O)N3CCNC[C@@H]3C#N)cn21 ZINC001150427963 1073109971 /nfs/dbraw/zinc/10/99/71/1073109971.db2.gz AZEZLFGFKICBKA-IRXDYDNUSA-N 0 0 432.492 -0.050 20 30 IBEDRN CN1CCN(c2ncccn2)C[C@H]1c1nnc2ccc(C(=O)N3CCNC[C@H]3C#N)cn21 ZINC001150427964 1073110006 /nfs/dbraw/zinc/11/00/06/1073110006.db2.gz AZEZLFGFKICBKA-SJORKVTESA-N 0 0 432.492 -0.050 20 30 IBEDRN COC(=O)[C@H](CS)NC(=O)c1ccc2nnc([C@H]3CCN(S(C)(=O)=O)C3)n2c1 ZINC001150455577 1073113261 /nfs/dbraw/zinc/11/32/61/1073113261.db2.gz CFGFYDRYAXSDAO-JQWIXIFHSA-N 0 0 427.508 -0.321 20 30 IBEDRN COC(=O)[C@H](CS)NC(=O)c1ccc2nnc([C@@H]3CCN(S(C)(=O)=O)C3)n2c1 ZINC001150455578 1073113258 /nfs/dbraw/zinc/11/32/58/1073113258.db2.gz CFGFYDRYAXSDAO-PWSUYJOCSA-N 0 0 427.508 -0.321 20 30 IBEDRN C=CCNS(=O)(=O)c1cccc(C(=O)N2CCS(=O)(=O)C[C@@H]2CC(=O)OC)c1 ZINC001151133345 1073118646 /nfs/dbraw/zinc/11/86/46/1073118646.db2.gz QKKWTWPMTHOPSP-AWEZNQCLSA-N 0 0 430.504 -0.047 20 30 IBEDRN C=CCNS(=O)(=O)c1cccc(C(=O)N2CCS(=O)(=O)C[C@H]2CC(=O)OC)c1 ZINC001151133346 1073118566 /nfs/dbraw/zinc/11/85/66/1073118566.db2.gz QKKWTWPMTHOPSP-CQSZACIVSA-N 0 0 430.504 -0.047 20 30 IBEDRN Cn1nnc2c(C(=O)Nc3c(C#N)cnn3-c3ccc(S(C)(=O)=O)cc3)ncn2c1=O ZINC001152745475 1073128131 /nfs/dbraw/zinc/12/81/31/1073128131.db2.gz BLAWQCJUNNMYEJ-UHFFFAOYSA-N 0 0 439.417 -0.464 20 30 IBEDRN Cn1nnc2c(C(=O)N3CCC[C@]4(C3)COCCN(c3cccc(C#N)n3)C4)ncn2c1=O ZINC001152745523 1073128176 /nfs/dbraw/zinc/12/81/76/1073128176.db2.gz TZPIPITYWLXCGQ-NRFANRHFSA-N 0 0 449.475 -0.151 20 30 IBEDRN Cn1nnc2c(C(=O)N3CCC[C@@]4(C3)COCCN(c3cccc(C#N)n3)C4)ncn2c1=O ZINC001152745524 1073128272 /nfs/dbraw/zinc/12/82/72/1073128272.db2.gz TZPIPITYWLXCGQ-OAQYLSRUSA-N 0 0 449.475 -0.151 20 30 IBEDRN COCCOc1cc(C#N)c(NC(=O)c2ncn3c2nnn(C)c3=O)cc1OCCOC ZINC001152754177 1073130198 /nfs/dbraw/zinc/13/01/98/1073130198.db2.gz AFWFNSZOIIJEQJ-UHFFFAOYSA-N 0 0 443.420 -0.003 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2F)CC1 ZINC001152967267 1073133777 /nfs/dbraw/zinc/13/37/77/1073133777.db2.gz CSMOQZGABJTPLA-UHFFFAOYSA-N 0 0 432.499 -0.699 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)NC(C)(C)C)o2)CC1 ZINC001152967273 1073133856 /nfs/dbraw/zinc/13/38/56/1073133856.db2.gz DCDUNOXYQOEGRX-UHFFFAOYSA-N 0 0 432.524 -0.418 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(CCNS(C)(=O)=O)s2)CC1 ZINC001152967453 1073133862 /nfs/dbraw/zinc/13/38/62/1073133862.db2.gz HPXWPXIZICKEOC-UHFFFAOYSA-N 0 0 434.565 -0.935 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)CC1 ZINC001152967546 1073133899 /nfs/dbraw/zinc/13/38/99/1073133899.db2.gz KXXGCVJXMQLXDY-UHFFFAOYSA-N 0 0 440.547 -0.376 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)c2cc3c(nc4ccccn4c3=O)n2C)CC1 ZINC001152968078 1073133875 /nfs/dbraw/zinc/13/38/75/1073133875.db2.gz YEOIESAOJKOMIC-UHFFFAOYSA-N 0 0 428.474 -0.588 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(CN3CCN(C)CC3)s2)CC1 ZINC001152972164 1073133847 /nfs/dbraw/zinc/13/38/47/1073133847.db2.gz AQSIFCVFTMUYKW-UHFFFAOYSA-N 0 0 425.580 -0.279 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)Cc2sc(CS(C)(=O)=O)nc2C)CC1 ZINC001152972183 1073133812 /nfs/dbraw/zinc/13/38/12/1073133812.db2.gz BBPMMPMHJCEDPB-UHFFFAOYSA-N 0 0 434.565 -0.850 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)C[C@@]2(O)CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001152972297 1073133825 /nfs/dbraw/zinc/13/38/25/1073133825.db2.gz CHSVUNBFJODDQM-IBGZPJMESA-N 0 0 444.554 -0.250 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)C[C@]2(O)CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001152972300 1073133800 /nfs/dbraw/zinc/13/38/00/1073133800.db2.gz CHSVUNBFJODDQM-LJQANCHMSA-N 0 0 444.554 -0.250 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)c2c(I)cnn2C)CC1 ZINC001152973417 1073133867 /nfs/dbraw/zinc/13/38/67/1073133867.db2.gz IWZGTAKHPAIECU-UHFFFAOYSA-N 0 0 437.263 -0.750 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(Br)c(C)n(C)c2=O)CC1 ZINC001152973550 1073133808 /nfs/dbraw/zinc/13/38/08/1073133808.db2.gz LNDFKHDIDVMQOV-UHFFFAOYSA-N 0 0 431.312 -0.318 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)C[C@H]2CS(=O)(=O)c3ccccc3O2)CC1 ZINC001152974265 1073133843 /nfs/dbraw/zinc/13/38/43/1073133843.db2.gz QVOTZIJAGYMXPA-AWEZNQCLSA-N 0 0 427.504 -0.777 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)C[C@@H]2CS(=O)(=O)c3ccccc3O2)CC1 ZINC001152974266 1073133838 /nfs/dbraw/zinc/13/38/38/1073133838.db2.gz QVOTZIJAGYMXPA-CQSZACIVSA-N 0 0 427.504 -0.777 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)c2cnc(CNC(=O)OC(C)(C)C)nc2)CC1 ZINC001152974496 1073133890 /nfs/dbraw/zinc/13/38/90/1073133890.db2.gz UPJVGSTZLSZOAC-UHFFFAOYSA-N 0 0 438.510 -0.273 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)c2nn(C)cc2I)CC1 ZINC001152974916 1073133783 /nfs/dbraw/zinc/13/37/83/1073133783.db2.gz XVNNDMMLRYRJPT-UHFFFAOYSA-N 0 0 437.263 -0.750 20 30 IBEDRN C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@]2(C(=O)OC)C[C@@H]2S(C)(=O)=O)cc1 ZINC001153948561 1073139156 /nfs/dbraw/zinc/13/91/56/1073139156.db2.gz VYHGVYSGKQSMHW-WMLDXEAASA-N 0 0 430.504 -0.143 20 30 IBEDRN N#Cc1ccc2[nH]c(C(=O)N[C@@H](Cc3c[nH]cn3)C(=O)N3CCC[C@H]3C(N)=O)cc(=O)c2c1 ZINC001154561311 1073143859 /nfs/dbraw/zinc/14/38/59/1073143859.db2.gz ZOWAAMWNOWIJNW-ROUUACIJSA-N 0 0 447.455 -0.060 20 30 IBEDRN C=CCNS(=O)(=O)c1ccc(CC(=O)NCCS(=O)(=O)N=S(C)(C)=O)s1 ZINC001155726700 1073151371 /nfs/dbraw/zinc/15/13/71/1073151371.db2.gz MMUNIXQZYKXBOQ-UHFFFAOYSA-N 0 0 443.594 -0.072 20 30 IBEDRN N#C[C@@]12CN(C(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)C[C@H]1CS(=O)(=O)C2 ZINC001156669485 1073156109 /nfs/dbraw/zinc/15/61/09/1073156109.db2.gz CJHDEUWFTGWAJT-UGSOOPFHSA-N 0 0 436.515 -0.098 20 30 IBEDRN COCCNS(=O)(=O)c1ccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1 ZINC001156669797 1073156064 /nfs/dbraw/zinc/15/60/64/1073156064.db2.gz ISODWXYUEPUMTO-YOEHRIQHSA-N 0 0 427.504 -0.378 20 30 IBEDRN N#C[C@@]12CN(C(=O)[C@H]3C[C@H](O)CN3C(=O)Cc3ccccc3F)C[C@H]1CS(=O)(=O)C2 ZINC001156675921 1073156026 /nfs/dbraw/zinc/15/60/26/1073156026.db2.gz PJKJPWRUNXDHQR-COCVIAQXSA-N 0 0 435.477 -0.273 20 30 IBEDRN N#C[C@@]12CN(C(=O)[C@@H]3C[C@@H](O)CN3C(=O)Cc3ccccc3F)C[C@H]1CS(=O)(=O)C2 ZINC001156675944 1073155963 /nfs/dbraw/zinc/15/59/63/1073155963.db2.gz PJKJPWRUNXDHQR-MQJTVSLUSA-N 0 0 435.477 -0.273 20 30 IBEDRN N#C[C@@]12CN(C(=O)[C@@H]3C[C@H](O)CN3C(=O)Cc3ccccc3F)C[C@H]1CS(=O)(=O)C2 ZINC001156676095 1073156117 /nfs/dbraw/zinc/15/61/17/1073156117.db2.gz PJKJPWRUNXDHQR-PYWIUJKZSA-N 0 0 435.477 -0.273 20 30 IBEDRN N#C[C@@]12CN(C(=O)[C@H]3C[C@@H](O)CN3C(=O)Cc3ccccc3F)C[C@H]1CS(=O)(=O)C2 ZINC001156676096 1073156084 /nfs/dbraw/zinc/15/60/84/1073156084.db2.gz PJKJPWRUNXDHQR-VZHLBOQGSA-N 0 0 435.477 -0.273 20 30 IBEDRN N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCN4CCOC[C@]4(CO)C3)C2=O)cc1 ZINC001156867219 1073156902 /nfs/dbraw/zinc/15/69/02/1073156902.db2.gz RUBOKKBYIBXPPM-DYESRHJHSA-N 0 0 427.461 -0.331 20 30 IBEDRN N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCN4CCOC[C@]4(CO)C3)C2=O)cc1 ZINC001156867220 1073156928 /nfs/dbraw/zinc/15/69/28/1073156928.db2.gz RUBOKKBYIBXPPM-LAUBAEHRSA-N 0 0 427.461 -0.331 20 30 IBEDRN N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCN4CCOC[C@@]4(CO)C3)C2=O)cc1 ZINC001156867221 1073156939 /nfs/dbraw/zinc/15/69/39/1073156939.db2.gz RUBOKKBYIBXPPM-UTKZUKDTSA-N 0 0 427.461 -0.331 20 30 IBEDRN N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCN4CCOC[C@@]4(CO)C3)C2=O)cc1 ZINC001156867222 1073156919 /nfs/dbraw/zinc/15/69/19/1073156919.db2.gz RUBOKKBYIBXPPM-UWJYYQICSA-N 0 0 427.461 -0.331 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)c2cn(C3CN(C(=O)OC(C)(C)C)C3)nn2)CC1 ZINC001157004100 1073157880 /nfs/dbraw/zinc/15/78/80/1073157880.db2.gz PLDSHYKGYDFFHM-UHFFFAOYSA-N 0 0 431.497 -0.423 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)[C@@]2(COC)CN(C(=O)OC(C)(C)C)CCO2)CC1 ZINC001157008732 1073157904 /nfs/dbraw/zinc/15/79/04/1073157904.db2.gz BVRMYXIGUUVNQH-NRFANRHFSA-N 0 0 438.525 -0.468 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)[C@]2(COC)CN(C(=O)OC(C)(C)C)CCO2)CC1 ZINC001157008735 1073157871 /nfs/dbraw/zinc/15/78/71/1073157871.db2.gz BVRMYXIGUUVNQH-OAQYLSRUSA-N 0 0 438.525 -0.468 20 30 IBEDRN COC(=O)c1cnc(NC(=N)c2nccc(OC)n2)c(S(=O)(=O)N2CCOCC2)c1 ZINC001157636795 1073165430 /nfs/dbraw/zinc/16/54/30/1073165430.db2.gz HBMDXHPKFYLYJB-UHFFFAOYSA-N 0 0 436.450 -0.275 20 30 IBEDRN N#CCCNCC(=O)N1CCC[C@]2(C(=O)N3CCOCC3)CN(c3ncccn3)C[C@@H]2C1 ZINC001158351837 1073174583 /nfs/dbraw/zinc/17/45/83/1073174583.db2.gz DIWDPKPOGHRFKW-AVRDEDQJSA-N 0 0 441.536 -0.116 20 30 IBEDRN N#CC[C@H](N)C(=O)N1CCC[C@]2(C(=O)N3CCOCC3)CN(c3ncccn3)C[C@@H]2C1 ZINC001158352977 1073175333 /nfs/dbraw/zinc/17/53/33/1073175333.db2.gz XZSYMTFPUHMCIF-FIKGOQFSSA-N 0 0 427.509 -0.379 20 30 IBEDRN N#Cc1ccc(N2C[C@@]3(COCCN(C(=O)c4nnn5c4CNCC5)C3)OCC2=O)cc1 ZINC001158940432 1073191153 /nfs/dbraw/zinc/19/11/53/1073191153.db2.gz ASVQZXKPHOGFKB-NRFANRHFSA-N 0 0 437.460 -0.472 20 30 IBEDRN N#Cc1ccc(N2C[C@]3(COCCN(C(=O)c4nnn5c4CNCC5)C3)OCC2=O)cc1 ZINC001158940435 1073191239 /nfs/dbraw/zinc/19/12/39/1073191239.db2.gz ASVQZXKPHOGFKB-OAQYLSRUSA-N 0 0 437.460 -0.472 20 30 IBEDRN N#Cc1ccc(N2C[C@]3(COCCN(C(=O)Cn4cccc(N)c4=O)C3)OCC2=O)cc1 ZINC001158941564 1073191654 /nfs/dbraw/zinc/19/16/54/1073191654.db2.gz JJPQRAUVXUKTOX-JOCHJYFZSA-N 0 0 437.456 -0.037 20 30 IBEDRN N#Cc1ccc(N2C[C@@]3(COCCN(C(=O)Cn4cccc(N)c4=O)C3)OCC2=O)cc1 ZINC001158941565 1073191575 /nfs/dbraw/zinc/19/15/75/1073191575.db2.gz JJPQRAUVXUKTOX-QFIPXVFZSA-N 0 0 437.456 -0.037 20 30 IBEDRN COC(=O)[C@@H](N)CCC(=O)N1CCOC[C@]2(CN(c3ccc(C#N)cc3)C(=O)CO2)C1 ZINC001158942014 1073191659 /nfs/dbraw/zinc/19/16/59/1073191659.db2.gz NOGAUFUUPQQGOQ-LAUBAEHRSA-N 0 0 430.461 -0.200 20 30 IBEDRN COC(=O)[C@@H](N)CCC(=O)N1CCOC[C@@]2(CN(c3ccc(C#N)cc3)C(=O)CO2)C1 ZINC001158942015 1073191642 /nfs/dbraw/zinc/19/16/42/1073191642.db2.gz NOGAUFUUPQQGOQ-UWJYYQICSA-N 0 0 430.461 -0.200 20 30 IBEDRN C#CCNS(=O)(=O)c1ccc(C(=O)N2Cc3nnc(C)n3C[C@H]2C(=O)N(C)C)cc1 ZINC001158978515 1073193503 /nfs/dbraw/zinc/19/35/03/1073193503.db2.gz JRZPZPBJDOQQCX-INIZCTEOSA-N 0 0 430.490 -0.389 20 30 IBEDRN C#CCNS(=O)(=O)c1ccc(C(=O)N2Cc3nnc(C)n3C[C@@H]2C(=O)N(C)C)cc1 ZINC001158978517 1073193552 /nfs/dbraw/zinc/19/35/52/1073193552.db2.gz JRZPZPBJDOQQCX-MRXNPFEDSA-N 0 0 430.490 -0.389 20 30 IBEDRN C=C[C@@H]1C[C@]1(Nc1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-])C(=O)[N-]S(=O)(=O)C1CC1 ZINC001159645951 1073229098 /nfs/dbraw/zinc/22/90/98/1073229098.db2.gz OVNHSJZITKLYLF-PIGZYNQJSA-N 0 0 437.482 -0.241 20 30 IBEDRN CS(=O)(=O)O[C@H]1C[NH2+][C@H](C(=O)N2C[C@@H]3CN(C(=O)c4ccccc4)CCO[C@@H]3C2)C1 ZINC001159746875 1073232981 /nfs/dbraw/zinc/23/29/81/1073232981.db2.gz QTZALZGJTVSDEU-XWTMOSNGSA-N 0 0 437.518 -0.307 20 30 IBEDRN N#Cc1c(Cl)nccc1C(F)(F)Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2N)c(=O)n1 ZINC001160086406 1073243757 /nfs/dbraw/zinc/24/37/57/1073243757.db2.gz IAJMMGDSQOYCGB-XIDUGBJDSA-N 0 0 428.783 -0.097 20 30 IBEDRN CSc1nc(Cl)c(C=NO)c(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c(=O)n2)n1 ZINC001160086478 1073243898 /nfs/dbraw/zinc/24/38/98/1073243898.db2.gz ISLWYINSMVOQOS-ICTLFCAASA-N 0 0 443.873 -0.628 20 30 IBEDRN N#Cc1ccc(C(F)(F)Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c(=O)n2)nc1Cl ZINC001160086500 1073243690 /nfs/dbraw/zinc/24/36/90/1073243690.db2.gz IXMDEAXTGRTRIG-LHNIVKCTSA-N 0 0 428.783 -0.097 20 30 IBEDRN CSc1nc(Cl)c(C#N)c(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c(=O)n2)n1 ZINC001160087312 1073244380 /nfs/dbraw/zinc/24/43/80/1073244380.db2.gz SUMJIQLJPSUNHP-QYVSTXNMSA-N 0 0 425.858 -0.564 20 30 IBEDRN CCOC(=O)c1cc(C)nc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c(=O)n2)c1C#N ZINC001160087371 1073244372 /nfs/dbraw/zinc/24/43/72/1073244372.db2.gz UPRQHUNVXROHSX-DNNBLBMLSA-N 0 0 430.421 -0.849 20 30 IBEDRN N#Cc1cnc2cnc(Cl)cc2c1Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2N)c(=O)n1 ZINC001160087545 1073244390 /nfs/dbraw/zinc/24/43/90/1073244390.db2.gz VWEHAHKXBFTIPL-MDNXKNQGSA-N 0 0 429.824 -0.133 20 30 IBEDRN N#Cc1cc(C(F)(F)Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c(=O)n2)cnc1Cl ZINC001160087824 1073244636 /nfs/dbraw/zinc/24/46/36/1073244636.db2.gz DCJISGXEPSLHLZ-XIDUGBJDSA-N 0 0 428.783 -0.097 20 30 IBEDRN N#Cc1cc(C(F)(F)Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c(=O)n2)cc(Cl)n1 ZINC001160087861 1073244650 /nfs/dbraw/zinc/24/46/50/1073244650.db2.gz FHUKKWFEEHJDHN-ICGCDAGXSA-N 0 0 428.783 -0.097 20 30 IBEDRN N#Cc1ccc(Cl)nc1C(F)(F)Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2N)c(=O)n1 ZINC001160088194 1073245251 /nfs/dbraw/zinc/24/52/51/1073245251.db2.gz QUHPQYLBTWIJSL-LHNIVKCTSA-N 0 0 428.783 -0.097 20 30 IBEDRN N#Cc1nc(Cl)ccc1C(F)(F)Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2N)c(=O)n1 ZINC001160088201 1073245284 /nfs/dbraw/zinc/24/52/84/1073245284.db2.gz QYYHDYQWULRJDT-ICGCDAGXSA-N 0 0 428.783 -0.097 20 30 IBEDRN N#Cc1cnc(Cl)cc1C(F)(F)Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2N)c(=O)n1 ZINC001160088217 1073245311 /nfs/dbraw/zinc/24/53/11/1073245311.db2.gz RWIMVNXLFOLKOG-ICGCDAGXSA-N 0 0 428.783 -0.097 20 30 IBEDRN N#Cc1cc(Cl)nc(C(F)(F)Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c(=O)n2)c1 ZINC001160088253 1073245262 /nfs/dbraw/zinc/24/52/62/1073245262.db2.gz UJKOPMJNGPTZNM-HKSFMPNISA-N 0 0 428.783 -0.097 20 30 IBEDRN CC(C)(C)C(=O)Nc1ccc(C#N)nc1Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2N)c(=O)n1 ZINC001160092856 1073246321 /nfs/dbraw/zinc/24/63/21/1073246321.db2.gz NTXFTCZDHNXNIV-DNNBLBMLSA-N 0 0 443.464 -0.350 20 30 IBEDRN N#Cc1cc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c(=O)n2)nc2ccc([N+](=O)[O-])cc12 ZINC001160092884 1073246151 /nfs/dbraw/zinc/24/61/51/1073246151.db2.gz OZVCKYGIYZDSNN-BNEJOLLZSA-N 0 0 439.388 -0.273 20 30 IBEDRN N#Cc1cc(Cl)ncc1C(F)(F)Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2N)c(=O)n1 ZINC001160093189 1073246893 /nfs/dbraw/zinc/24/68/93/1073246893.db2.gz USFRGRNKAVUCPY-ICGCDAGXSA-N 0 0 428.783 -0.097 20 30 IBEDRN CS(=O)(=O)O[C@H]1C[NH2+][C@H](C(=O)N2CC[C@H]3OC[C@@H](C(=O)N4CCCCO4)C[C@H]3C2)C1 ZINC001160389083 1073257376 /nfs/dbraw/zinc/25/73/76/1073257376.db2.gz VRRZREODCMMHAD-ZOFXXKQRSA-N 0 0 445.538 -0.499 20 30 IBEDRN CN1CCN(c2ncccn2)C[C@@H]1c1nnc2ccc(C(=O)N3CCN[C@H](C#N)C3)cn21 ZINC001160652543 1073267919 /nfs/dbraw/zinc/26/79/19/1073267919.db2.gz GAWMRKPESJTCNC-IAGOWNOFSA-N 0 0 432.492 -0.050 20 30 IBEDRN CN1CCN(c2ncccn2)C[C@H]1c1nnc2ccc(C(=O)N3CCN[C@H](C#N)C3)cn21 ZINC001160652544 1073267819 /nfs/dbraw/zinc/26/78/19/1073267819.db2.gz GAWMRKPESJTCNC-SJORKVTESA-N 0 0 432.492 -0.050 20 30 IBEDRN C#CCOCCOCCNc1ncc(C(=O)OC)cc1S(=O)(=O)N1CCOCC1 ZINC001160671135 1073269283 /nfs/dbraw/zinc/26/92/83/1073269283.db2.gz IFACAGVDKXNBOD-UHFFFAOYSA-N 0 0 427.479 -0.033 20 30 IBEDRN CC(C)(CC(=O)N1CCCC1)N(CC(=O)N1C[C@@H](F)C[C@H]1C#N)C(=O)[C@@H]1CNC(=O)N1 ZINC001160984192 1073274960 /nfs/dbraw/zinc/27/49/60/1073274960.db2.gz HQVDTUOMJXCOFX-KKUMJFAQSA-N 0 0 436.488 -0.250 20 30 IBEDRN COC(=O)[C@@]1(N)CCN(C(=O)[C@H]2O[C@@H]2C(=O)N[C@H](CC(C)C)C(=O)NCCC(C)C)C1 ZINC001161138575 1073279720 /nfs/dbraw/zinc/27/97/20/1073279720.db2.gz WCYBHMZGKDEGHB-FAPUVCABSA-N 0 0 440.541 -0.450 20 30 IBEDRN COC(=O)[C@]1(N)CCN(C(=O)[C@H]2O[C@@H]2C(=O)N[C@H](CC(C)C)C(=O)NCCC(C)C)C1 ZINC001161138576 1073279819 /nfs/dbraw/zinc/27/98/19/1073279819.db2.gz WCYBHMZGKDEGHB-JXSLOMFPSA-N 0 0 440.541 -0.450 20 30 IBEDRN COC(=O)[C@]1(N)CCN(C(=O)[C@H]2O[C@@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C)C1 ZINC001161138577 1073279688 /nfs/dbraw/zinc/27/96/88/1073279688.db2.gz WCYBHMZGKDEGHB-OSAWLIQMSA-N 0 0 440.541 -0.450 20 30 IBEDRN COC(=O)[C@@]1(N)CCN(C(=O)[C@H]2O[C@@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C)C1 ZINC001161138578 1073279856 /nfs/dbraw/zinc/27/98/56/1073279856.db2.gz WCYBHMZGKDEGHB-VCAMNPENSA-N 0 0 440.541 -0.450 20 30 IBEDRN Cc1c(Br)c(C)n(NC(=O)CNS(=O)(=O)c2cn(C)cn2)c(=O)c1C#N ZINC001161251085 1073283064 /nfs/dbraw/zinc/28/30/64/1073283064.db2.gz ROEVWHUXDHTRTH-UHFFFAOYSA-N 0 0 443.283 -0.119 20 30 IBEDRN CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](Nc1ncccn1)C(=O)OCC ZINC001162272346 1073298005 /nfs/dbraw/zinc/29/80/05/1073298005.db2.gz AUVMGQNWBPGQSL-STQMWFEESA-N 0 0 441.510 -0.306 20 30 IBEDRN CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](Nc1cnccn1)C(=O)OCC ZINC001162272359 1073297896 /nfs/dbraw/zinc/29/78/96/1073297896.db2.gz AWHYWSVFYISFMC-STQMWFEESA-N 0 0 441.510 -0.306 20 30 IBEDRN CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](Nc1ccncn1)C(=O)OCC ZINC001162272958 1073297870 /nfs/dbraw/zinc/29/78/70/1073297870.db2.gz JVHXLBPUGPBGAA-STQMWFEESA-N 0 0 441.510 -0.306 20 30 IBEDRN CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNc1nc(C)ncc1C#N)C(N)=O ZINC001162273462 1073297907 /nfs/dbraw/zinc/29/79/07/1073297907.db2.gz MZOSHZXWICTXPJ-GJZGRUSLSA-N 0 0 435.554 -0.255 20 30 IBEDRN CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](Nc1cccnn1)C(=O)OCC ZINC001162274162 1073297890 /nfs/dbraw/zinc/29/78/90/1073297890.db2.gz WPUKZVIKXJEUNX-STQMWFEESA-N 0 0 441.510 -0.306 20 30 IBEDRN CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNc1cc(C)nc(C#N)n1)C(N)=O ZINC001162276818 1073297969 /nfs/dbraw/zinc/29/79/69/1073297969.db2.gz FNMUDIFJOFUBRC-KBPBESRZSA-N 0 0 435.554 -0.255 20 30 IBEDRN CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNc1cnc(C#N)c(C#N)n1)C(N)=O ZINC001162277690 1073297932 /nfs/dbraw/zinc/29/79/32/1073297932.db2.gz RTVOEECEOGHHJA-STQMWFEESA-N 0 0 446.537 -0.114 20 30 IBEDRN COC(=O)CNC(=O)[C@@H]1CCCN1C(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 ZINC001162358964 1073298381 /nfs/dbraw/zinc/29/83/81/1073298381.db2.gz RWZUDIUVLPVFHH-JSGCOSHPSA-N 0 0 436.490 -0.216 20 30 IBEDRN COC(=O)CNC(=O)[C@@H]1CCCN1C(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 ZINC001162358969 1073298347 /nfs/dbraw/zinc/29/83/47/1073298347.db2.gz RWZUDIUVLPVFHH-OCCSQVGLSA-N 0 0 436.490 -0.216 20 30 IBEDRN CCOC(=O)CON=C(C(=O)N1CCC(NC(=O)N2CCOCC2)CC1)c1ccn[nH]1 ZINC001162640824 1073299307 /nfs/dbraw/zinc/29/93/07/1073299307.db2.gz XBSDHIJLXXSMPV-UHFFFAOYSA-N 0 0 436.469 -0.274 20 30 IBEDRN [NH3+]CCCN(C[C@H](S)OP(=O)([O-])[O-])c1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001163065195 1073302206 /nfs/dbraw/zinc/30/22/06/1073302206.db2.gz FQHPBUIFEKQMLE-JTQLQIEISA-N 0 0 437.419 -0.685 20 30 IBEDRN [NH3+]CCCN(C[C@@H](S)OP(=O)([O-])[O-])c1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001163065196 1073302254 /nfs/dbraw/zinc/30/22/54/1073302254.db2.gz FQHPBUIFEKQMLE-SNVBAGLBSA-N 0 0 437.419 -0.685 20 30 IBEDRN O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC001163169695 1073303171 /nfs/dbraw/zinc/30/31/71/1073303171.db2.gz LJOJHGLHKKUWSO-KRWDZBQOSA-N 0 0 427.504 -0.469 20 30 IBEDRN O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC001163169696 1073303193 /nfs/dbraw/zinc/30/31/93/1073303193.db2.gz LJOJHGLHKKUWSO-QGZVFWFLSA-N 0 0 427.504 -0.469 20 30 IBEDRN Cc1nc(Cl)nc(N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](C(N)=O)[C@@H](C)O)c1C#N ZINC001163432439 1073304072 /nfs/dbraw/zinc/30/40/72/1073304072.db2.gz HLDVCBZAKSKUAB-ONERCXAPSA-N 0 0 432.868 -0.188 20 30 IBEDRN CCc1nc(C#N)c(C#N)nc1N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(N)=O)[C@@H](C)O ZINC001163432741 1073304189 /nfs/dbraw/zinc/30/41/89/1073304189.db2.gz FWLXGBIZCSEGFV-PSZVPEGOSA-N 0 0 437.460 -0.138 20 30 IBEDRN C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)Nc1nc(C#N)ccc1[N+](=O)[O-])C(N)=O ZINC001163433121 1073304495 /nfs/dbraw/zinc/30/44/95/1073304495.db2.gz LVQCXCCVRRCQHO-OOVXXXAESA-N 0 0 428.405 -0.059 20 30 IBEDRN C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)Nc1ncc([N+](=O)[O-])cc1C#N)C(N)=O ZINC001163433852 1073304585 /nfs/dbraw/zinc/30/45/85/1073304585.db2.gz UFXIDFJAZJRDSN-VFVAKGGASA-N 0 0 428.405 -0.059 20 30 IBEDRN COC(=O)c1cc(C#N)cnc1N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(N)=O)[C@@H](C)O ZINC001163434445 1073304672 /nfs/dbraw/zinc/30/46/72/1073304672.db2.gz RTTVNGIDZPMENF-NVGVWMPQSA-N 0 0 441.444 -0.180 20 30 IBEDRN C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)Nc1nc(C#N)c(C#N)nc1Cl)C(N)=O ZINC001163434778 1073304578 /nfs/dbraw/zinc/30/45/78/1073304578.db2.gz YPHYZQFIYVYQRV-LYSGOOTNSA-N 0 0 443.851 -0.047 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2S(C)(=O)=O)CC1 ZINC001163989977 1073306536 /nfs/dbraw/zinc/30/65/36/1073306536.db2.gz JAKDSQNTAQQTQM-UHFFFAOYSA-N 0 0 435.549 -0.917 20 30 IBEDRN N#Cc1ccc(N2C[C@@]3(COCCN(c4ccc(S(N)(=O)=O)nn4)C3)OCC2=O)cc1 ZINC001165585368 1073311494 /nfs/dbraw/zinc/31/14/94/1073311494.db2.gz HSIMSMYJBPQBBO-IBGZPJMESA-N 0 0 444.473 -0.366 20 30 IBEDRN N#Cc1ccc(N2C[C@]3(COCCN(c4ccc(S(N)(=O)=O)nn4)C3)OCC2=O)cc1 ZINC001165585395 1073311498 /nfs/dbraw/zinc/31/14/98/1073311498.db2.gz HSIMSMYJBPQBBO-LJQANCHMSA-N 0 0 444.473 -0.366 20 30 IBEDRN CS(=O)(=O)N1CC[C@@]2(C(=O)N3CCOCC3)CCN(c3cncc(C#N)n3)CC[C@@H]12 ZINC001165611108 1073312368 /nfs/dbraw/zinc/31/23/68/1073312368.db2.gz FHSPVGXHJHFVJW-APWZRJJASA-N 0 0 434.522 -0.172 20 30 IBEDRN CS(=O)(=O)N1CC[C@@]2(C(=O)N3CCOCC3)CCN(c3nccnc3C#N)CC[C@@H]12 ZINC001165611488 1073312336 /nfs/dbraw/zinc/31/23/36/1073312336.db2.gz JLNGKXVVQUTXBX-APWZRJJASA-N 0 0 434.522 -0.172 20 30 IBEDRN CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(c2cnc(C#N)c(C#N)n2)CC3)C1=O ZINC001165689041 1073313359 /nfs/dbraw/zinc/31/33/59/1073313359.db2.gz PTHNDLYZXFOSIG-IBGZPJMESA-N 0 0 429.506 -0.070 20 30 IBEDRN CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(c2cnc(C#N)c(C#N)n2)CC3)C1=O ZINC001165689042 1073313310 /nfs/dbraw/zinc/31/33/10/1073313310.db2.gz PTHNDLYZXFOSIG-LJQANCHMSA-N 0 0 429.506 -0.070 20 30 IBEDRN N#Cc1c[nH]c2ncnc(N3C[C@H]4[C@@H](C3)S(=O)(=O)CC[C@H]4C(=O)N3CCOCC3)c12 ZINC001165836274 1073315411 /nfs/dbraw/zinc/31/54/11/1073315411.db2.gz NVWKEHZWVGSZER-RBSFLKMASA-N 0 0 430.490 -0.072 20 30 IBEDRN N#Cc1c[nH]c2ncnc(N3C[C@H]4[C@@H](C3)S(=O)(=O)CC[C@@H]4C(=O)N3CCOCC3)c12 ZINC001165836279 1073315356 /nfs/dbraw/zinc/31/53/56/1073315356.db2.gz NVWKEHZWVGSZER-RRFJBIMHSA-N 0 0 430.490 -0.072 20 30 IBEDRN N#Cc1ccc([N+](=O)[O-])c(N2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@H]3C(=O)N2CCOCC2)n1 ZINC001165840616 1073316615 /nfs/dbraw/zinc/31/66/15/1073316615.db2.gz QJPTUJSTSVXRJY-IIAWOOMASA-N 0 0 435.462 -0.040 20 30 IBEDRN N#Cc1ccc([N+](=O)[O-])c(N2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@@H]3C(=O)N2CCOCC2)n1 ZINC001165840617 1073316636 /nfs/dbraw/zinc/31/66/36/1073316636.db2.gz QJPTUJSTSVXRJY-SQWLQELKSA-N 0 0 435.462 -0.040 20 30 IBEDRN COC(=O)c1cc(C#N)cnc1N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001165840990 1073316979 /nfs/dbraw/zinc/31/69/79/1073316979.db2.gz LUADRQKPZDPYOD-DJIMGWMZSA-N 0 0 448.501 -0.162 20 30 IBEDRN COC(=O)c1cc(C#N)cnc1N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001165840992 1073317072 /nfs/dbraw/zinc/31/70/72/1073317072.db2.gz LUADRQKPZDPYOD-USXIJHARSA-N 0 0 448.501 -0.162 20 30 IBEDRN CCc1nc(C#N)c(C#N)nc1N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001165841573 1073316967 /nfs/dbraw/zinc/31/69/67/1073316967.db2.gz MYBGRPADXOIZBW-HBUWYVDXSA-N 0 0 444.517 -0.119 20 30 IBEDRN CCc1nc(C#N)c(C#N)nc1N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001165841574 1073316987 /nfs/dbraw/zinc/31/69/87/1073316987.db2.gz MYBGRPADXOIZBW-PMUMKWKESA-N 0 0 444.517 -0.119 20 30 IBEDRN N#Cc1c[nH]c2nc(N3C[C@H]4[C@@H](C3)S(=O)(=O)CC[C@H]4C(=O)N3CCOCC3)ncc12 ZINC001165842018 1073317346 /nfs/dbraw/zinc/31/73/46/1073317346.db2.gz YFQHANJYIPOIIN-FVQBIDKESA-N 0 0 430.490 -0.072 20 30 IBEDRN N#Cc1c[nH]c2nc(N3C[C@H]4[C@@H](C3)S(=O)(=O)CC[C@@H]4C(=O)N3CCOCC3)ncc12 ZINC001165842022 1073317469 /nfs/dbraw/zinc/31/74/69/1073317469.db2.gz YFQHANJYIPOIIN-NUEKZKHPSA-N 0 0 430.490 -0.072 20 30 IBEDRN O=C1C(=O)N(CCCN2CCOCC2)C(=O)N1CC#CCN1C(=O)c2ccccc2C1=O ZINC001165850518 1073317668 /nfs/dbraw/zinc/31/76/68/1073317668.db2.gz KSAWGLJLVQBFNR-UHFFFAOYSA-N 0 0 438.440 -0.201 20 30 IBEDRN COc1nc(N2CCCn3c(=O)cc(CNC(=O)c4nccn4C)nc3C2)ncc1C#N ZINC001166479947 1073322667 /nfs/dbraw/zinc/32/26/67/1073322667.db2.gz STVVRSBPBGBJAV-UHFFFAOYSA-N 0 0 435.448 -0.013 20 30 IBEDRN Cn1ccnc1C(=O)NCc1cc(=O)n2c(n1)CN(c1cnc(C#N)c(C#N)n1)CCC2 ZINC001166481721 1073322590 /nfs/dbraw/zinc/32/25/90/1073322590.db2.gz KVNCMAHZZGEOSX-UHFFFAOYSA-N 0 0 430.432 -0.150 20 30 IBEDRN Cc1c(C#N)c(=O)n(CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)c(=O)n1C ZINC001166614310 1073323441 /nfs/dbraw/zinc/32/34/41/1073323441.db2.gz HHYHMCXXTDQHFQ-UHFFFAOYSA-N 0 0 425.445 -0.484 20 30 IBEDRN Cc1c(C#N)c(=O)n(CC(=O)N2CCC(C(=O)NCCC(C)C)CC2)c(=O)n1CCO ZINC001166714294 1073323759 /nfs/dbraw/zinc/32/37/59/1073323759.db2.gz QUIDABOHEDBJNN-UHFFFAOYSA-N 0 0 433.509 -0.417 20 30 IBEDRN COC(=O)c1cc(C#N)cnc1N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O ZINC001166894007 1073324778 /nfs/dbraw/zinc/32/47/78/1073324778.db2.gz INLHSBPZZHSEAH-HOTGVXAUSA-N 0 0 444.492 -0.159 20 30 IBEDRN CCc1nc(C#N)c(C#N)nc1N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O ZINC001166894991 1073325175 /nfs/dbraw/zinc/32/51/75/1073325175.db2.gz VBEMPNXPZHUUQE-YOEHRIQHSA-N 0 0 440.508 -0.116 20 30 IBEDRN CC(C)C[C@H](NC(=O)[C@@H]1CCCN1c1ncnc2[nH]cc(C#N)c21)C(=O)NCC(N)=O ZINC001166895141 1073325146 /nfs/dbraw/zinc/32/51/46/1073325146.db2.gz TUKLIVVJSSOMHA-KBPBESRZSA-N 0 0 426.481 -0.069 20 30 IBEDRN CC(C)C[C@H](NC(=O)[C@@H]1CCCN1c1ncc2c(C#N)c[nH]c2n1)C(=O)NCC(N)=O ZINC001166895445 1073325165 /nfs/dbraw/zinc/32/51/65/1073325165.db2.gz AGPINRYVLBXOLO-GJZGRUSLSA-N 0 0 426.481 -0.069 20 30 IBEDRN CC(C)C[C@H](NC(=O)[C@@H]1CCCN1c1nc(C#N)ccc1[N+](=O)[O-])C(=O)NCC(N)=O ZINC001166895665 1073325187 /nfs/dbraw/zinc/32/51/87/1073325187.db2.gz FYPFMSNCEWMGOH-ZFWWWQNUSA-N 0 0 431.453 -0.037 20 30 IBEDRN CC(C)C[C@H](NC(=O)[C@@H]1CCCN1c1ncc([N+](=O)[O-])cc1C#N)C(=O)NCC(N)=O ZINC001166896026 1073325632 /nfs/dbraw/zinc/32/56/32/1073325632.db2.gz ITHJSFBBDRABCA-GJZGRUSLSA-N 0 0 431.453 -0.037 20 30 IBEDRN CC(C)C[C@H](NC(=O)[C@@H]1CCCN1c1nc(C#N)c(C#N)nc1Cl)C(=O)NCC(N)=O ZINC001166897030 1073325453 /nfs/dbraw/zinc/32/54/53/1073325453.db2.gz UDNVJTLQRZHLLT-FZMZJTMJSA-N 0 0 446.899 -0.025 20 30 IBEDRN N#Cc1nccnc1N1CCN(c2ccc(C(=O)N3CCS(=O)(=O)CC3)cn2)CC1 ZINC001166921547 1073325974 /nfs/dbraw/zinc/32/59/74/1073325974.db2.gz KYZFKAVSIUYGBR-UHFFFAOYSA-N 0 0 427.490 -0.060 20 30 IBEDRN CS(=O)(=O)NC1CN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 ZINC001167139098 1070850683 /nfs/dbraw/zinc/85/06/83/1070850683.db2.gz YPNKSXHTAYWQDH-UHFFFAOYSA-N 0 0 426.520 -0.281 20 30 IBEDRN CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NN1CCS(=O)(=O)CC1 ZINC001167259784 1070863813 /nfs/dbraw/zinc/86/38/13/1070863813.db2.gz GBJGFKLIOBKUHV-AWEZNQCLSA-N 0 0 428.536 -0.099 20 30 IBEDRN CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NN1CCS(=O)(=O)CC1 ZINC001167259785 1070863553 /nfs/dbraw/zinc/86/35/53/1070863553.db2.gz GBJGFKLIOBKUHV-CQSZACIVSA-N 0 0 428.536 -0.099 20 30 IBEDRN N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NN3CCS(=O)(=O)CC3)CC2)cc1 ZINC001167259841 1070864044 /nfs/dbraw/zinc/86/40/44/1070864044.db2.gz HZTVQEGLMYVJHT-UHFFFAOYSA-N 0 0 426.520 -0.279 20 30 IBEDRN C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN([C@@]3(C(=O)OC)CCOC3)CC2)cc1 ZINC001167317576 1070894500 /nfs/dbraw/zinc/89/45/00/1070894500.db2.gz DQDVQZHAUWGVTK-FQEVSTJZSA-N 0 0 435.502 -0.312 20 30 IBEDRN C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN([C@]3(C(=O)OC)CCOC3)CC2)cc1 ZINC001167317577 1070894602 /nfs/dbraw/zinc/89/46/02/1070894602.db2.gz DQDVQZHAUWGVTK-HXUWFJFHSA-N 0 0 435.502 -0.312 20 30 IBEDRN COC(=O)[C@]1(N2CCN(C(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)CC2)CCOC1 ZINC001167322453 1070899910 /nfs/dbraw/zinc/89/99/10/1070899910.db2.gz ZNMNYPUHJCIJTN-FQEVSTJZSA-N 0 0 435.502 -0.051 20 30 IBEDRN COC(=O)[C@@]1(N2CCN(C(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)CC2)CCOC1 ZINC001167322454 1070900148 /nfs/dbraw/zinc/90/01/48/1070900148.db2.gz ZNMNYPUHJCIJTN-HXUWFJFHSA-N 0 0 435.502 -0.051 20 30 IBEDRN C#Cc1ccc(NC(=O)CCN2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC001167772840 1071414816 /nfs/dbraw/zinc/41/48/16/1071414816.db2.gz YIARCXSOKQNQDW-IBGZPJMESA-N 0 0 432.546 -0.083 20 30 IBEDRN C#Cc1ccc(NC(=O)CCN2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC001167772841 1071414984 /nfs/dbraw/zinc/41/49/84/1071414984.db2.gz YIARCXSOKQNQDW-LJQANCHMSA-N 0 0 432.546 -0.083 20 30 IBEDRN COC(OC)c1c(C#C[Si](C)(C)C)ccnc1N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O ZINC001169969641 1073617131 /nfs/dbraw/zinc/61/71/31/1073617131.db2.gz NJMVQBICXYDHMJ-JOCABOTCSA-N 0 0 426.542 -0.186 20 30 IBEDRN COC(OC)c1c(C#C[Si](C)(C)C)ccnc1N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O ZINC001169969642 1073617035 /nfs/dbraw/zinc/61/70/35/1073617035.db2.gz NJMVQBICXYDHMJ-YGSJXBCNSA-N 0 0 426.542 -0.186 20 30 IBEDRN N#CCCN(C(=O)c1ccc(N[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)nc1)c1ccccc1 ZINC001169971576 1073624980 /nfs/dbraw/zinc/62/49/80/1073624980.db2.gz LZSCHUOJVNXRNL-IOESTIDPSA-N 0 0 428.445 -0.146 20 30 IBEDRN N#CCCN(C(=O)c1ccc(N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)nc1)c1ccccc1 ZINC001169971577 1073624940 /nfs/dbraw/zinc/62/49/40/1073624940.db2.gz LZSCHUOJVNXRNL-POVPESKVSA-N 0 0 428.445 -0.146 20 30 IBEDRN CC(C)(C)OC(=O)N1CCN(CC(=O)NC2CCN(S(C)(=O)=O)CC2)[C@@H](C#N)C1 ZINC001170140011 1073799858 /nfs/dbraw/zinc/79/98/58/1073799858.db2.gz OAVQZXMSSKVBDA-HNNXBMFYSA-N 0 0 429.543 -0.029 20 30 IBEDRN CC(C)(C)OC(=O)N1CCN(CC(=O)NC2CCN(S(C)(=O)=O)CC2)[C@H](C#N)C1 ZINC001170140012 1073799750 /nfs/dbraw/zinc/79/97/50/1073799750.db2.gz OAVQZXMSSKVBDA-OAHLLOKOSA-N 0 0 429.543 -0.029 20 30 IBEDRN CS(C)(=O)=NS(=O)(=O)N1CCN(CCS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC001170292324 1073818394 /nfs/dbraw/zinc/81/83/94/1073818394.db2.gz ZACVUVIETUUECR-UHFFFAOYSA-N 0 0 434.565 -0.078 20 30 IBEDRN N#CC1(c2ccccc2)CCC([NH2+][C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)CC1 ZINC001170374154 1073818936 /nfs/dbraw/zinc/81/89/36/1073818936.db2.gz UOBMUAQSCNIUDB-OJAHXHDWSA-N 0 0 442.490 -0.393 20 30 IBEDRN N#CC1(c2ccccc2)CCC([NH2+][C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)CC1 ZINC001170374155 1073818789 /nfs/dbraw/zinc/81/87/89/1073818789.db2.gz UOBMUAQSCNIUDB-UPYVRJDKSA-N 0 0 442.490 -0.393 20 30 IBEDRN COC(=O)Cc1cc(Cl)nc(-n2cncc2C[C@H](NC(=O)CC[NH3+])C(=O)[O-])c1C#N ZINC001170687826 1073999532 /nfs/dbraw/zinc/99/95/32/1073999532.db2.gz QDPWSGMAFFDAIE-ZDUSSCGKSA-N 0 0 434.840 -0.031 20 30 IBEDRN CC(=O)NCC(=O)N1CCCN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 ZINC001170723445 1074010806 /nfs/dbraw/zinc/01/08/06/1074010806.db2.gz YJBQOPCOLGLZRN-AWEZNQCLSA-N 0 0 435.506 -0.578 20 30 IBEDRN CC(=O)NCC(=O)N1CCCN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 ZINC001170723446 1074010824 /nfs/dbraw/zinc/01/08/24/1074010824.db2.gz YJBQOPCOLGLZRN-CQSZACIVSA-N 0 0 435.506 -0.578 20 30 IBEDRN COCCN(CC#N)CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001170870370 1074043371 /nfs/dbraw/zinc/04/33/71/1074043371.db2.gz KEZNIBDLGPXSIQ-UHFFFAOYSA-N 0 0 425.467 -0.100 20 30 IBEDRN CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](Nc2ccnc(C#N)c2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC001170941573 1074050011 /nfs/dbraw/zinc/05/00/11/1074050011.db2.gz FRNSMDGZMXAOJE-LASHMREHSA-N 0 0 449.416 -0.130 20 30 IBEDRN C=CC(=NCOC)N[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]1OC(C)=O ZINC001170943376 1074050193 /nfs/dbraw/zinc/05/01/93/1074050193.db2.gz XKRXVMWIOYHCRJ-WSIUPNEHSA-N 0 0 444.437 -0.153 20 30 IBEDRN CCOC(=O)c1cc(C#N)c(C)nc1Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2N)c(=O)n1 ZINC001171261384 1074085094 /nfs/dbraw/zinc/08/50/94/1074085094.db2.gz LGNBPOXMOQONTL-DNNBLBMLSA-N 0 0 430.421 -0.849 20 30 IBEDRN CC(=NC#N)N(C)Cc1ccc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c(=O)n2)nc1 ZINC001171261922 1074085144 /nfs/dbraw/zinc/08/51/44/1074085144.db2.gz VAMQVTJOBNAYKZ-GLIBQESOSA-N 0 0 428.453 -0.875 20 30 IBEDRN C=CCc1ccnc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c(=O)n2)c1C(OC)OC ZINC001171262526 1074086074 /nfs/dbraw/zinc/08/60/74/1074086074.db2.gz NHKZJACDPJJFBZ-HALQFCHDSA-N 0 0 433.465 -0.186 20 30 IBEDRN N#Cc1nc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c(=O)n2)c(-c2ccccc2)nc1C#N ZINC001171262633 1074086826 /nfs/dbraw/zinc/08/68/26/1074086826.db2.gz GAXLLNUROALBOZ-QSFMABPGSA-N 0 0 446.427 -0.401 20 30 IBEDRN N#Cc1cnc2nc(Cl)ccc2c1Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2N)c(=O)n1 ZINC001171262882 1074086871 /nfs/dbraw/zinc/08/68/71/1074086871.db2.gz TWNIGYJKKVGQHM-JAOHYVKRSA-N 0 0 429.824 -0.133 20 30 IBEDRN COc1cc(CCC#N)c(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c(=O)n2)cc1OC ZINC001171264455 1074088453 /nfs/dbraw/zinc/08/84/53/1074088453.db2.gz GZIUGNPBINAAMM-NXWXRZEISA-N 0 0 431.449 -0.128 20 30 IBEDRN N#CC1(c2cccc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4N)c(=O)n3)c2)CCOCC1 ZINC001171266781 1074089429 /nfs/dbraw/zinc/08/94/29/1074089429.db2.gz MCERCEXYYXVYIV-NXWXRZEISA-N 0 0 427.461 -0.029 20 30 IBEDRN C[C@H](CC(=O)NC[C@]12COCCN1C(=O)COC2)/N=C1/NS(=O)(=O)c2ccccc21 ZINC001171788037 1074125084 /nfs/dbraw/zinc/12/50/84/1074125084.db2.gz ONLZOFRZDYZCFS-BFUOFWGJSA-N 0 0 436.490 -0.752 20 30 IBEDRN C[C@H](CC(=O)NC[C@@]12COCCN1C(=O)COC2)/N=C1/NS(=O)(=O)c2ccccc21 ZINC001171788038 1074124991 /nfs/dbraw/zinc/12/49/91/1074124991.db2.gz ONLZOFRZDYZCFS-YJYMSZOUSA-N 0 0 436.490 -0.752 20 30 IBEDRN C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@]23COCCN2C(=O)COC3)s1 ZINC001171792441 1074125221 /nfs/dbraw/zinc/12/52/21/1074125221.db2.gz FRCIHMAWGPFQGQ-KRWDZBQOSA-N 0 0 429.520 -0.501 20 30 IBEDRN C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@]23COCCN2C(=O)COC3)s1 ZINC001171792442 1074124970 /nfs/dbraw/zinc/12/49/70/1074124970.db2.gz FRCIHMAWGPFQGQ-QGZVFWFLSA-N 0 0 429.520 -0.501 20 30 IBEDRN CC(C)=Nc1nc(I)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O ZINC001174788721 1074135093 /nfs/dbraw/zinc/13/50/93/1074135093.db2.gz QWEQOJZJEFUHPA-WOUKDFQISA-N 0 0 433.206 -0.012 20 30 IBEDRN C#Cc1cccc(NC(=O)NC(=O)CN2C[C@@H](N3C(=O)CNC3=O)C[C@H]2C(=O)OC)c1 ZINC001174974972 1074135366 /nfs/dbraw/zinc/13/53/66/1074135366.db2.gz HOSGKXKGFFOHMQ-GJZGRUSLSA-N 0 0 427.417 -0.516 20 30 IBEDRN COC(=O)CCN(CC#N)CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001175483102 1074139567 /nfs/dbraw/zinc/13/95/67/1074139567.db2.gz BRCZKHDQVXWEBL-UHFFFAOYSA-N 0 0 438.506 -0.288 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)CNS(=O)(=O)c2ccc(Cl)s2)CC1 ZINC001175514630 1074139548 /nfs/dbraw/zinc/13/95/48/1074139548.db2.gz BOTKHUIIIRHIPK-UHFFFAOYSA-N 0 0 440.956 -0.708 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)CC[S@@](=O)c2ccc3c(c2)OCCO3)CC1 ZINC001175514684 1074139626 /nfs/dbraw/zinc/13/96/26/1074139626.db2.gz DNERULWZKKKENV-MUUNZHRXSA-N 0 0 441.531 -0.433 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)CC[S@](=O)c2ccc3c(c2)OCCO3)CC1 ZINC001175514685 1074139528 /nfs/dbraw/zinc/13/95/28/1074139528.db2.gz DNERULWZKKKENV-NDEPHWFRSA-N 0 0 441.531 -0.433 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)Cc2csc(S[C@H](C)C(N)=O)n2)CC1 ZINC001175514693 1074139553 /nfs/dbraw/zinc/13/95/53/1074139553.db2.gz DZEYOOWCTXLELD-LLVKDONJSA-N 0 0 431.565 -0.737 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)Cc2csc(S[C@@H](C)C(N)=O)n2)CC1 ZINC001175514694 1074139520 /nfs/dbraw/zinc/13/95/20/1074139520.db2.gz DZEYOOWCTXLELD-NSHDSACASA-N 0 0 431.565 -0.737 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)/C(=C\c2ccc(F)cc2)n2nnnc2C)CC1 ZINC001175514717 1074139610 /nfs/dbraw/zinc/13/96/10/1074139610.db2.gz FSMVHJMSADCNRZ-GHRIWEEISA-N 0 0 433.469 -0.269 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)/C(=C/c2ccc(F)cc2)n2nnnc2C)CC1 ZINC001175514718 1074139631 /nfs/dbraw/zinc/13/96/31/1074139631.db2.gz FSMVHJMSADCNRZ-LGMDPLHJSA-N 0 0 433.469 -0.269 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](C)CS(=O)(=O)c2ccc(F)cc2)CC1 ZINC001175514720 1074139558 /nfs/dbraw/zinc/13/95/58/1074139558.db2.gz FTQUPJGBPDNPCS-AWEZNQCLSA-N 0 0 431.511 -0.153 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](C)CS(=O)(=O)c2ccc(F)cc2)CC1 ZINC001175514721 1074139575 /nfs/dbraw/zinc/13/95/75/1074139575.db2.gz FTQUPJGBPDNPCS-CQSZACIVSA-N 0 0 431.511 -0.153 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)CC2(CC(=O)N3CCOCC3)CCCC2)CC1 ZINC001175514757 1074139983 /nfs/dbraw/zinc/13/99/83/1074139983.db2.gz HQSXUQFRDGGGAX-UHFFFAOYSA-N 0 0 440.566 -0.202 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)CS[C@H](C)C(=O)Nc2cc(C)on2)CC1 ZINC001175514764 1074140004 /nfs/dbraw/zinc/14/00/04/1074140004.db2.gz HZTMUHRWKSIYGF-CYBMUJFWSA-N 0 0 429.524 -0.345 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)CS[C@@H](C)C(=O)Nc2cc(C)on2)CC1 ZINC001175514765 1074140089 /nfs/dbraw/zinc/14/00/89/1074140089.db2.gz HZTMUHRWKSIYGF-ZDUSSCGKSA-N 0 0 429.524 -0.345 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)CC2(O)CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001175514775 1074140027 /nfs/dbraw/zinc/14/00/27/1074140027.db2.gz IJEUKRKCVJJMPT-UHFFFAOYSA-N 0 0 444.554 -0.250 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)CC1 ZINC001175514785 1074140079 /nfs/dbraw/zinc/14/00/79/1074140079.db2.gz IOOAWMYPTFAHQD-DZKIICNBSA-N 0 0 429.568 -0.676 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@@H]23)CC1 ZINC001175514786 1074140134 /nfs/dbraw/zinc/14/01/34/1074140134.db2.gz IOOAWMYPTFAHQD-IJEWVQPXSA-N 0 0 429.568 -0.676 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]32)CC1 ZINC001175514787 1074140150 /nfs/dbraw/zinc/14/01/50/1074140150.db2.gz IOOAWMYPTFAHQD-OFQRWUPVSA-N 0 0 429.568 -0.676 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@H]23)CC1 ZINC001175514788 1074140016 /nfs/dbraw/zinc/14/00/16/1074140016.db2.gz IOOAWMYPTFAHQD-YCPHGPKFSA-N 0 0 429.568 -0.676 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3F)C2)CC1 ZINC001175514793 1074140053 /nfs/dbraw/zinc/14/00/53/1074140053.db2.gz IVVPKTXXLXYRIY-CYBMUJFWSA-N 0 0 426.445 -0.071 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(F)cc3F)C2)CC1 ZINC001175514794 1074140140 /nfs/dbraw/zinc/14/01/40/1074140140.db2.gz IVVPKTXXLXYRIY-ZDUSSCGKSA-N 0 0 426.445 -0.071 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)CC1 ZINC001175514922 1074140125 /nfs/dbraw/zinc/14/01/25/1074140125.db2.gz KOAWNPRUEOFDOB-HNNXBMFYSA-N 0 0 442.563 -0.348 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)CC1 ZINC001175514925 1074140035 /nfs/dbraw/zinc/14/00/35/1074140035.db2.gz KOAWNPRUEOFDOB-OAHLLOKOSA-N 0 0 442.563 -0.348 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)Cc2ccccc2S(=O)(=O)C(F)F)CC1 ZINC001175514929 1074140105 /nfs/dbraw/zinc/14/01/05/1074140105.db2.gz KRFBSGABVJAVFY-UHFFFAOYSA-N 0 0 435.474 -0.163 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(S(=O)(=O)NCC)ccc2F)CC1 ZINC001175514961 1074140096 /nfs/dbraw/zinc/14/00/96/1074140096.db2.gz LLNLJECHMHRTHJ-UHFFFAOYSA-N 0 0 432.499 -0.651 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)CC1 ZINC001175515025 1074140070 /nfs/dbraw/zinc/14/00/70/1074140070.db2.gz OJIRKNUDSUJGSX-UHFFFAOYSA-N 0 0 448.954 -0.184 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](O)[C@](O)(c2ccccc2)C(F)(F)F)CC1 ZINC001175515079 1074139993 /nfs/dbraw/zinc/13/99/93/1074139993.db2.gz QWCNFENWCLBHSA-GDBMZVCRSA-N 0 0 435.424 -0.591 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](O)[C@](O)(c2ccccc2)C(F)(F)F)CC1 ZINC001175515080 1074140115 /nfs/dbraw/zinc/14/01/15/1074140115.db2.gz QWCNFENWCLBHSA-GOEBONIOSA-N 0 0 435.424 -0.591 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](O)[C@@](O)(c2ccccc2)C(F)(F)F)CC1 ZINC001175515081 1074140155 /nfs/dbraw/zinc/14/01/55/1074140155.db2.gz QWCNFENWCLBHSA-HOCLYGCPSA-N 0 0 435.424 -0.591 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](O)[C@@](O)(c2ccccc2)C(F)(F)F)CC1 ZINC001175515082 1074140058 /nfs/dbraw/zinc/14/00/58/1074140058.db2.gz QWCNFENWCLBHSA-ZBFHGGJFSA-N 0 0 435.424 -0.591 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(S(=O)(=O)NC(C)C)ccc2F)CC1 ZINC001175515085 1074140043 /nfs/dbraw/zinc/14/00/43/1074140043.db2.gz QYEZITNGWBGLKW-UHFFFAOYSA-N 0 0 446.526 -0.262 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)CC1 ZINC001175515092 1074140516 /nfs/dbraw/zinc/14/05/16/1074140516.db2.gz RILBDKQLHMYRKW-UHFFFAOYSA-N 0 0 425.511 -0.901 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)c2cn(-c3ccc(C(F)(F)F)cn3)nn2)CC1 ZINC001175515133 1074140503 /nfs/dbraw/zinc/14/05/03/1074140503.db2.gz SMAVHVSZKLATHB-UHFFFAOYSA-N 0 0 443.411 -0.094 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)CN(C)C(=O)c2ccc(Br)o2)CC1 ZINC001175515223 1074140564 /nfs/dbraw/zinc/14/05/64/1074140564.db2.gz TVWHXALISDPVOI-UHFFFAOYSA-N 0 0 447.311 -0.274 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](C(C)C)N2C(=O)c3ccccc3C2=O)CC1 ZINC001175515228 1074140511 /nfs/dbraw/zinc/14/05/11/1074140511.db2.gz TXLNRSBFCOMQPS-KRWDZBQOSA-N 0 0 432.502 -0.081 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](C(C)C)N2C(=O)c3ccccc3C2=O)CC1 ZINC001175515231 1074140490 /nfs/dbraw/zinc/14/04/90/1074140490.db2.gz TXLNRSBFCOMQPS-QGZVFWFLSA-N 0 0 432.502 -0.081 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)CNC(=O)c2cccc(Br)c2)CC1 ZINC001175515269 1074140522 /nfs/dbraw/zinc/14/05/22/1074140522.db2.gz VFOULUDYKPTGOS-UHFFFAOYSA-N 0 0 443.323 -0.209 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)NC(C)C)cc2)CC1 ZINC001175515325 1074140568 /nfs/dbraw/zinc/14/05/68/1074140568.db2.gz XJYWKQQWIIDTOD-UHFFFAOYSA-N 0 0 428.536 -0.401 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)CC1 ZINC001175515343 1074140501 /nfs/dbraw/zinc/14/05/01/1074140501.db2.gz YDSALUXURMDECA-UHFFFAOYSA-N 0 0 426.520 -0.766 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(F)c(S(=O)(=O)NC(C)C)c2)CC1 ZINC001175515389 1074140498 /nfs/dbraw/zinc/14/04/98/1074140498.db2.gz ZPOZEBHWONHXNM-UHFFFAOYSA-N 0 0 446.526 -0.262 20 30 IBEDRN COC(=O)[C@H](CS)NC(=O)[C@H]1Cn2ccnc2C2(CCN(C(=O)N(C)C)CC2)O1 ZINC001176771122 1074152126 /nfs/dbraw/zinc/15/21/26/1074152126.db2.gz GIVRAAQIGFYJOE-QWHCGFSZSA-N 0 0 425.511 -0.158 20 30 IBEDRN COC(=O)[C@H](CS)NC(=O)[C@@H]1Cn2ccnc2C2(CCN(C(=O)N(C)C)CC2)O1 ZINC001176771123 1074152071 /nfs/dbraw/zinc/15/20/71/1074152071.db2.gz GIVRAAQIGFYJOE-STQMWFEESA-N 0 0 425.511 -0.158 20 30 IBEDRN CN1CCn2c(CNC(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)nnc2C1=O ZINC001176800998 1074153669 /nfs/dbraw/zinc/15/36/69/1074153669.db2.gz PVZBCNYFKLCANY-UHFFFAOYSA-N 0 0 431.478 -0.501 20 30 IBEDRN C=CCNS(=O)(=O)c1ccc(CC(=O)NCCc2nnc3n2CCN(C)C3=O)s1 ZINC001176816366 1074153206 /nfs/dbraw/zinc/15/32/06/1074153206.db2.gz FKFPPKVLPUNIHE-UHFFFAOYSA-N 0 0 438.535 -0.209 20 30 IBEDRN C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@]2(C(=O)OC)C[C@@H]2S(C)(=O)=O)cc1 ZINC001176825466 1074153243 /nfs/dbraw/zinc/15/32/43/1074153243.db2.gz HEYUVSPTQVHCNN-WMLDXEAASA-N 0 0 428.488 -0.696 20 30 IBEDRN C=CCNS(=O)(=O)c1cc(C(=O)NC[C@]2(C(=O)OC)C[C@@H]2S(C)(=O)=O)ccc1F ZINC001176825498 1074153234 /nfs/dbraw/zinc/15/32/34/1074153234.db2.gz IMPCRQOIORXPEE-WMLDXEAASA-N 0 0 448.494 -0.004 20 30 IBEDRN CNC(=O)CN(CC(=O)NC)C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 ZINC001177018994 1074156650 /nfs/dbraw/zinc/15/66/50/1074156650.db2.gz XXBGCMVGVCRFBL-UHFFFAOYSA-N 0 0 437.522 -0.394 20 30 IBEDRN C[C@H](CC(=O)N1CC[C@H](CNS(C)(=O)=O)C1)/N=C1/NS(=O)(=O)c2ccccc21 ZINC001177180495 1074157631 /nfs/dbraw/zinc/15/76/31/1074157631.db2.gz WXZHXHGMHNIFCU-CHWSQXEVSA-N 0 0 428.536 -0.099 20 30 IBEDRN C[C@H](CC(=O)N1CC[C@@H](CNS(C)(=O)=O)C1)/N=C1/NS(=O)(=O)c2ccccc21 ZINC001177180496 1074157742 /nfs/dbraw/zinc/15/77/42/1074157742.db2.gz WXZHXHGMHNIFCU-OLZOCXBDSA-N 0 0 428.536 -0.099 20 30 IBEDRN CCOC(=O)CON=C(C(=O)N1C[C@@H]2[C@H](C1)OCCN2c1cnccn1)c1ccn[nH]1 ZINC001177258286 1074158860 /nfs/dbraw/zinc/15/88/60/1074158860.db2.gz CXJZVHZSIUQKMC-UISHOYSNSA-N 0 0 429.437 -0.400 20 30 IBEDRN CCOC(=O)CON=C(C(=O)N1C[C@@H](NC(=O)C2CCC2)[C@H]2COC[C@H]21)c1ccn[nH]1 ZINC001177258312 1074157794 /nfs/dbraw/zinc/15/77/94/1074157794.db2.gz DZRHHEZDMDBVTL-RHZKTCQMSA-N 0 0 433.465 -0.164 20 30 IBEDRN CCOC(=O)CON=C(C(=O)N1[C@@H](C(=O)OC)CS[C@H]1C(=O)OC)c1ccn[nH]1 ZINC001177258342 1074157659 /nfs/dbraw/zinc/15/76/59/1074157659.db2.gz FVKNRHCBVAHEKT-BSILQFMISA-N 0 0 428.423 -0.690 20 30 IBEDRN CCOC(=O)CON=C(C(=O)N1[C@H](C(=O)OC)CS[C@H]1C(=O)OC)c1ccn[nH]1 ZINC001177258344 1074158255 /nfs/dbraw/zinc/15/82/55/1074158255.db2.gz FVKNRHCBVAHEKT-DXALGFNDSA-N 0 0 428.423 -0.690 20 30 IBEDRN CCOC(=O)CON=C(C(=O)N1[C@H](C(=O)OC)CS[C@@H]1C(=O)OC)c1ccn[nH]1 ZINC001177258345 1074158346 /nfs/dbraw/zinc/15/83/46/1074158346.db2.gz FVKNRHCBVAHEKT-IYQZBYSJSA-N 0 0 428.423 -0.690 20 30 IBEDRN CCOC(=O)CON=C(C(=O)N1CCN(CCCS(C)(=O)=O)CC1)c1ccn[nH]1 ZINC001177258346 1074158223 /nfs/dbraw/zinc/15/82/23/1074158223.db2.gz FXYWTFMRTSXQTR-SILNSSARSA-N 0 0 429.499 -0.728 20 30 IBEDRN CCOC(=O)CON=C(C(=O)N1C[C@@H]2C(=O)N(c3cnn(C)c3)C[C@@H]2C1)c1ccn[nH]1 ZINC001177258462 1074158268 /nfs/dbraw/zinc/15/82/68/1074158268.db2.gz KCBQEQLSDYEETE-XBQKRCBLSA-N 0 0 429.437 -0.452 20 30 IBEDRN CCOC(=O)CON=C(C(=O)N1Cc2[nH]nc(C(=O)N3CCOCC3)c2C1)c1ccn[nH]1 ZINC001177258509 1074158164 /nfs/dbraw/zinc/15/81/64/1074158164.db2.gz LITIBIQLWFRWPN-ULJHMMPZSA-N 0 0 445.436 -0.569 20 30 IBEDRN CCOC(=O)CON=C(C(=O)N1C[C@@H]2[C@H](C1)OCCN2c1ccc(C)nn1)c1ccn[nH]1 ZINC001177258636 1074158177 /nfs/dbraw/zinc/15/81/77/1074158177.db2.gz NCDAVDUSWGTICL-BYPKIXTLSA-N 0 0 443.464 -0.092 20 30 IBEDRN CCOC(=O)CON=C(C(=O)N1CC[C@@H]2CN(CC)S(=O)(=O)[C@@H]2CC1)c1ccn[nH]1 ZINC001177258706 1074158321 /nfs/dbraw/zinc/15/83/21/1074158321.db2.gz PIISZJSWUWQPGZ-XTZAVPODSA-N 0 0 441.510 -0.034 20 30 IBEDRN CCOC(=O)CON=C(C(=O)N1CC[C@H]2[C@H]1CC(=O)N2c1cnn(C)c1)c1ccn[nH]1 ZINC001177258722 1074158233 /nfs/dbraw/zinc/15/82/33/1074158233.db2.gz PWHTYSPMIZDWCF-VTTUBGBJSA-N 0 0 429.437 -0.167 20 30 IBEDRN CCOC(=O)CON=C(C(=O)N1CC[C@H]2O[C@H](C(=O)NCC3CC3)C[C@H]21)c1ccn[nH]1 ZINC001177258745 1074158333 /nfs/dbraw/zinc/15/83/33/1074158333.db2.gz QRGBYTBQZIYADP-AQUZMEIWSA-N 0 0 433.465 -0.022 20 30 IBEDRN CCOC(=O)CON=C(C(=O)N1CC[C@H]2[C@H]1CCN2C(=O)c1cnn(C)c1)c1ccn[nH]1 ZINC001177258751 1074158390 /nfs/dbraw/zinc/15/83/90/1074158390.db2.gz QYMTVPOQQWMQBU-NTNLXDHBSA-N 0 0 443.464 -0.057 20 30 IBEDRN CCOC(=O)CON=C(C(=O)N1C[C@@H]2[C@H](C1)OCCN2c1ncccn1)c1ccn[nH]1 ZINC001177258963 1074158367 /nfs/dbraw/zinc/15/83/67/1074158367.db2.gz VQCLOUYOBDGPAP-LRSNGPICSA-N 0 0 429.437 -0.400 20 30 IBEDRN CCOC(=O)CON=C(C(=O)N1CCC[C@@H]2CN(S(C)(=O)=O)C[C@@H]21)c1ccn[nH]1 ZINC001177259008 1074158297 /nfs/dbraw/zinc/15/82/97/1074158297.db2.gz XMNIQBLICAHTQN-MKEDIBEFSA-N 0 0 427.483 -0.424 20 30 IBEDRN CCOC(=O)CON=C(C(=O)N1CCCn2c(CN(C)C(C)=O)nnc2C1)c1ccn[nH]1 ZINC001177259013 1074158310 /nfs/dbraw/zinc/15/83/10/1074158310.db2.gz XSKJQKDEPALBRV-MOHJPFBDSA-N 0 0 446.468 -0.304 20 30 IBEDRN CCOC(=O)CON=C(C(=O)N1CCCn2cnc(CNC(C)=O)c2C1)c1ccn[nH]1 ZINC001177259057 1074158376 /nfs/dbraw/zinc/15/83/76/1074158376.db2.gz ZDOHQXBVUKSJDA-MOHJPFBDSA-N 0 0 431.453 -0.041 20 30 IBEDRN CCOC(=O)CON=C(C(=O)N1C[C@H](C(=O)N(C)C)C2(CN(C(C)=O)C2)C1)c1ccn[nH]1 ZINC001177262323 1074158909 /nfs/dbraw/zinc/15/89/09/1074158909.db2.gz AQLBQMATDKECOF-RYPAHKROSA-N 0 0 448.480 -0.911 20 30 IBEDRN CCOC(=O)CON=C(C(=O)N1C[C@@H](C(=O)N(C)C)C2(CN(C(C)=O)C2)C1)c1ccn[nH]1 ZINC001177262328 1074158754 /nfs/dbraw/zinc/15/87/54/1074158754.db2.gz AQLBQMATDKECOF-UIFJYSFJSA-N 0 0 448.480 -0.911 20 30 IBEDRN CCOC(=O)CO/N=C(\C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O)c1cc[nH]n1 ZINC001177262608 1074158922 /nfs/dbraw/zinc/15/89/22/1074158922.db2.gz FMWKDBWMRUYINT-BWFPOXOYSA-N 0 0 425.442 -0.210 20 30 IBEDRN CCOC(=O)CO/N=C(\C(=O)Nc1cc(S(=O)(=O)NC)ccc1O)c1cc[nH]n1 ZINC001177263508 1074158788 /nfs/dbraw/zinc/15/87/88/1074158788.db2.gz YXORAXIUGOKJIM-QNGOZBTKSA-N 0 0 425.423 -0.054 20 30 IBEDRN CCOC(=O)CON=C(C(=O)N1CCC(NC(=O)N2CCOCC2)CC1)c1ccn[nH]1 ZINC001177263615 1074158931 /nfs/dbraw/zinc/15/89/31/1074158931.db2.gz XBSDHIJLXXSMPV-QJOMJCCJSA-N 0 0 436.469 -0.274 20 30 IBEDRN CCOC(=O)CO/N=C(\C(=O)NCC(=O)NCC(=O)OCc1ccccc1)c1cc[nH]n1 ZINC001177263960 1074158819 /nfs/dbraw/zinc/15/88/19/1074158819.db2.gz LWWPVTQCOBSZAN-PLRJNAJWSA-N 0 0 445.432 -0.331 20 30 IBEDRN CCOC(=O)CO/N=C(\C(=O)NCCOCCOCCOCCOC)c1cc[nH]n1 ZINC001177264132 1074158772 /nfs/dbraw/zinc/15/87/72/1074158772.db2.gz SZYYMKQMFLEXNE-XLNRJJMWSA-N 0 0 430.458 -0.494 20 30 IBEDRN CCOC(=O)CO/N=C(\C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(N)=O)c1cc[nH]n1 ZINC001177265802 1074159326 /nfs/dbraw/zinc/15/93/26/1074159326.db2.gz ANMJQGAQBBQZMH-PUBOWXGGSA-N 0 0 444.448 -0.978 20 30 IBEDRN CCOC(=O)CO/N=C(\C(=O)NC1(CCOC)CCS(=O)(=O)CC1)c1cc[nH]n1 ZINC001177266699 1074159228 /nfs/dbraw/zinc/15/92/28/1074159228.db2.gz NVRFRJAKDWMUGW-QNGOZBTKSA-N 0 0 430.483 -0.206 20 30 IBEDRN CCOC(=O)CO/N=C(\C(=O)NCCNC(=O)C(F)(F)Br)c1cc[nH]n1 ZINC001177266738 1074159364 /nfs/dbraw/zinc/15/93/64/1074159364.db2.gz OFCVQDZOLLXIED-FBHDLOMBSA-N 0 0 440.201 -0.086 20 30 IBEDRN CO/N=C(\C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)c1ccco1 ZINC001177350033 1074160982 /nfs/dbraw/zinc/16/09/82/1074160982.db2.gz HIJAVWZZFDKMOQ-RBNDABMNSA-N 0 0 435.481 -0.247 20 30 IBEDRN CO/N=C(\C(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1)c1ccco1 ZINC001177351089 1074161557 /nfs/dbraw/zinc/16/15/57/1074161557.db2.gz OECLJWOUHRPAKC-GGBRPLNQSA-N 0 0 439.490 -0.249 20 30 IBEDRN CO/N=C(\C(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1)c1ccco1 ZINC001177351090 1074161665 /nfs/dbraw/zinc/16/16/65/1074161665.db2.gz OECLJWOUHRPAKC-WJGDPONDSA-N 0 0 439.490 -0.249 20 30 IBEDRN C#CCNS(=O)(=O)c1ccc(C(=O)NCC(=O)NCC(=O)NCc2ccccc2)cc1 ZINC001177372346 1074160477 /nfs/dbraw/zinc/16/04/77/1074160477.db2.gz GMYUTGUHEKDFNS-UHFFFAOYSA-N 0 0 442.497 -0.240 20 30 IBEDRN N#Cc1cc(CC(=O)N2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@H]3C(=O)N2CCOCC2)ccn1 ZINC001177667725 1074165054 /nfs/dbraw/zinc/16/50/54/1074165054.db2.gz WVONTTOCUXPDSO-KZNAEPCWSA-N 0 0 432.502 -0.384 20 30 IBEDRN N#Cc1cc(CC(=O)N2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@@H]3C(=O)N2CCOCC2)ccn1 ZINC001177667726 1074165110 /nfs/dbraw/zinc/16/51/10/1074165110.db2.gz WVONTTOCUXPDSO-RCCFBDPRSA-N 0 0 432.502 -0.384 20 30 IBEDRN CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)Cc1ccnc(C#N)c1)C(=O)NCC(N)=O ZINC001177668656 1074165799 /nfs/dbraw/zinc/16/57/99/1074165799.db2.gz YXHKGUHWLHKKKA-IRXDYDNUSA-N 0 0 428.493 -0.381 20 30 IBEDRN O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CC2(C1)C[C@H](O)CNC2=O ZINC001177693741 1074166004 /nfs/dbraw/zinc/16/60/04/1074166004.db2.gz XLDAJPSKSJONKM-AWEZNQCLSA-N 0 0 434.518 -0.005 20 30 IBEDRN O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CC2(C1)C[C@@H](O)CNC2=O ZINC001177693742 1074166091 /nfs/dbraw/zinc/16/60/91/1074166091.db2.gz XLDAJPSKSJONKM-CQSZACIVSA-N 0 0 434.518 -0.005 20 30 IBEDRN O=C(C#Cc1cccnc1)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001177773606 1074166045 /nfs/dbraw/zinc/16/60/45/1074166045.db2.gz CBBZOSFVWJJMCT-ZWKOTPCHSA-N 0 0 439.497 -0.017 20 30 IBEDRN CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)C#Cc1cccnc1)C(N)=O ZINC001177782539 1074167278 /nfs/dbraw/zinc/16/72/78/1074167278.db2.gz URPBYYGUNWUTKO-IRXDYDNUSA-N 0 0 447.561 -0.197 20 30 IBEDRN O=C(C#Cc1ccccn1)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001177800673 1074167320 /nfs/dbraw/zinc/16/73/20/1074167320.db2.gz FAYCCDQLNYLIQE-ZWKOTPCHSA-N 0 0 439.497 -0.017 20 30 IBEDRN CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)C#Cc1ccccn1)C(N)=O ZINC001177807017 1074167227 /nfs/dbraw/zinc/16/72/27/1074167227.db2.gz IDRVZPSSFPRLHJ-IRXDYDNUSA-N 0 0 447.561 -0.197 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)Nc2c[nH]cc(I)c2=O)C1=O ZINC001178019577 1074168776 /nfs/dbraw/zinc/16/87/76/1074168776.db2.gz HXFOMHVQBBWCFM-UHFFFAOYSA-N 0 0 430.158 -0.105 20 30 IBEDRN CC(C)(C)OC(=O)N1CCN(CC(=O)n2c(N)c(C#N)c(N)nc2=NC2CC2)C(=O)C1 ZINC001178497373 1074174230 /nfs/dbraw/zinc/17/42/30/1074174230.db2.gz JNSNXISMRUPLTL-UHFFFAOYSA-N 0 0 430.469 -0.298 20 30 IBEDRN CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](NC(=O)[C@H]1C[C@@H]1C)C(=O)OCC ZINC001178565596 1074175709 /nfs/dbraw/zinc/17/57/09/1074175709.db2.gz WKGGWHKTVAKKLJ-XUXIUFHCSA-N 0 0 445.538 -0.436 20 30 IBEDRN N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN4CCOC[C@@]4(CO)C3)CC2)cc1 ZINC001178894772 1074179096 /nfs/dbraw/zinc/17/90/96/1074179096.db2.gz YTUXDDOOUMDDML-NRFANRHFSA-N 0 0 448.545 -0.136 20 30 IBEDRN N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN4CCOC[C@]4(CO)C3)CC2)cc1 ZINC001178894773 1074179079 /nfs/dbraw/zinc/17/90/79/1074179079.db2.gz YTUXDDOOUMDDML-OAQYLSRUSA-N 0 0 448.545 -0.136 20 30 IBEDRN CN1CCN(CC(=O)N2CCOC[C@]3(CN(c4ccc(C#N)cc4)C(=O)CO3)C2)CC1 ZINC001178949382 1074180072 /nfs/dbraw/zinc/18/00/72/1074180072.db2.gz RXEUQIBEPFMQBJ-JOCHJYFZSA-N 0 0 427.505 -0.234 20 30 IBEDRN CN1CCN(CC(=O)N2CCOC[C@@]3(CN(c4ccc(C#N)cc4)C(=O)CO3)C2)CC1 ZINC001178949390 1074179962 /nfs/dbraw/zinc/17/99/62/1074179962.db2.gz RXEUQIBEPFMQBJ-QFIPXVFZSA-N 0 0 427.505 -0.234 20 30 IBEDRN CC(C)(C)OC(=O)N1CC2(C1)CC(=O)N[C@@H]2C(=O)n1c(N)c(C#N)c(N)nc1=NC1CC1 ZINC001179213070 1074183881 /nfs/dbraw/zinc/18/38/81/1074183881.db2.gz TUGJNMAFGNJNLJ-CYBMUJFWSA-N 0 0 442.480 -0.252 20 30 IBEDRN CC(C)(C)OC(=O)N1CC2(C1)CC(=O)N[C@H]2C(=O)n1c(N)c(C#N)c(N)nc1=NC1CC1 ZINC001179213071 1074183855 /nfs/dbraw/zinc/18/38/55/1074183855.db2.gz TUGJNMAFGNJNLJ-ZDUSSCGKSA-N 0 0 442.480 -0.252 20 30 IBEDRN CC(C)(C)OC(=O)N1CC2(C1)[C@@H](C(=O)N(O)C(=N)c1nonc1N)CCS2(=O)=O ZINC001179354796 1074186772 /nfs/dbraw/zinc/18/67/72/1074186772.db2.gz IMONNCSMSXSMKS-MRVPVSSYSA-N 0 0 430.443 -0.381 20 30 IBEDRN CC(C)(C)OC(=O)N1CC2(C1)[C@H](C(=O)N(O)C(=N)c1nonc1N)CCS2(=O)=O ZINC001179354797 1074186630 /nfs/dbraw/zinc/18/66/30/1074186630.db2.gz IMONNCSMSXSMKS-QMMMGPOBSA-N 0 0 430.443 -0.381 20 30 IBEDRN C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1C[C@H](n2cc(C)c(=O)[nH]c2=O)O[C@@H]1CO ZINC001179589747 1074191000 /nfs/dbraw/zinc/19/10/00/1074191000.db2.gz IINKEWORCODJPV-BYNSBNAKSA-N 0 0 436.465 -0.061 20 30 IBEDRN C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(N)=O ZINC001179590075 1074191128 /nfs/dbraw/zinc/19/11/28/1074191128.db2.gz NXPCCEJTYKWBJI-JYJNAYRXSA-N 0 0 446.508 -0.170 20 30 IBEDRN N#C[C@]12CN(C(=O)CCC(=O)N3CCN(c4ncccn4)CC3)C[C@H]1CS(=O)(=O)C2 ZINC001179652747 1074191580 /nfs/dbraw/zinc/19/15/80/1074191580.db2.gz SKTRZWGYPOZRRN-HNAYVOBHSA-N 0 0 432.506 -0.698 20 30 IBEDRN COCCNS(=O)(=O)c1cccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c1 ZINC001179653356 1074191638 /nfs/dbraw/zinc/19/16/38/1074191638.db2.gz YCBFPHSXFDSLMN-WMLDXEAASA-N 0 0 427.504 -0.378 20 30 IBEDRN CC#CC(=O)N[C@@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)C(N)=O ZINC001179756570 1074191924 /nfs/dbraw/zinc/19/19/24/1074191924.db2.gz PXXBIWATWAHUCQ-XSWJXKHESA-N 0 0 437.566 -0.008 20 30 IBEDRN CC#CC(=O)N[C@H](C(=O)N(c1ccc(CO)cc1)[C@@H](CCCNC(N)=O)C(N)=O)C(C)C ZINC001179756722 1074191901 /nfs/dbraw/zinc/19/19/01/1074191901.db2.gz SXCXGJWEPUFACA-HKUYNNGSSA-N 0 0 445.520 -0.022 20 30 IBEDRN CC#CC(=O)N[C@H]1[C@@H](O)[C@H](n2ccc(=O)[nH]c2=O)O[C@@H]1COC(=O)c1ccc(C)cc1 ZINC001179756778 1074191980 /nfs/dbraw/zinc/19/19/80/1074191980.db2.gz VXVBVTVEHIYMBL-UTRMSSBJSA-N 0 0 427.413 -0.119 20 30 IBEDRN CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](NC(=O)[C@H](C)C#N)C(=O)OCC ZINC001179902939 1074193026 /nfs/dbraw/zinc/19/30/26/1074193026.db2.gz WKYYLMDNRDIAGB-AGIUHOORSA-N 0 0 444.510 -0.932 20 30 IBEDRN CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](NC(=O)[C@@H](C)C#N)C(=O)OCC ZINC001179902940 1074192976 /nfs/dbraw/zinc/19/29/76/1074192976.db2.gz WKYYLMDNRDIAGB-AVGNSLFASA-N 0 0 444.510 -0.932 20 30 IBEDRN C#CC1(O)CN(C(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c2ccccc2C(F)(F)F)C1 ZINC001179982053 1074192914 /nfs/dbraw/zinc/19/29/14/1074192914.db2.gz APTMOSJIKXHTEL-GFCCVEGCSA-N 0 0 433.408 -0.176 20 30 IBEDRN C#CC1(O)CN(C(=O)[C@H](CCC(N)=O)NS(=O)(=O)c2ccccc2C(F)(F)F)C1 ZINC001179982054 1074192877 /nfs/dbraw/zinc/19/28/77/1074192877.db2.gz APTMOSJIKXHTEL-LBPRGKRZSA-N 0 0 433.408 -0.176 20 30 IBEDRN C=C(F)C(=O)N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)OCC)C(=O)OCC ZINC001180121975 1074194081 /nfs/dbraw/zinc/19/40/81/1074194081.db2.gz BAISYRIIBUOCPF-RYUDHWBXSA-N 0 0 435.474 -0.608 20 30 IBEDRN COc1nc(C(=NC(=O)CCC(=O)N2CCNC(=O)CC2)NO)ccc1-n1cnc(C)c1 ZINC001180273185 1074196605 /nfs/dbraw/zinc/19/66/05/1074196605.db2.gz IWCMZIKLDQMBMA-UHFFFAOYSA-N 0 0 443.464 -0.035 20 30 IBEDRN N#Cc1ccc(N2C[C@@]3(COCCN(C(=O)CN4C(=O)CNC4=O)C3)OCC2=O)cc1 ZINC001180381333 1074198069 /nfs/dbraw/zinc/19/80/69/1074198069.db2.gz KSKXOPWAFZEYDX-FQEVSTJZSA-N 0 0 427.417 -0.929 20 30 IBEDRN N#Cc1ccc(N2C[C@]3(COCCN(C(=O)CN4C(=O)CNC4=O)C3)OCC2=O)cc1 ZINC001180381342 1074198022 /nfs/dbraw/zinc/19/80/22/1074198022.db2.gz KSKXOPWAFZEYDX-HXUWFJFHSA-N 0 0 427.417 -0.929 20 30 IBEDRN N#Cc1ccc(N2C[C@@]3(COCCN(C(=O)[C@@H]4CSCC(=O)N4)C3)OCC2=O)cc1 ZINC001180551191 1074201062 /nfs/dbraw/zinc/20/10/62/1074201062.db2.gz XYGZRQPYUCZISU-JXFKEZNVSA-N 0 0 430.486 -0.249 20 30 IBEDRN N#Cc1ccc(N2C[C@]3(COCCN(C(=O)[C@@H]4CSCC(=O)N4)C3)OCC2=O)cc1 ZINC001180551193 1074201075 /nfs/dbraw/zinc/20/10/75/1074201075.db2.gz XYGZRQPYUCZISU-OXJNMPFZSA-N 0 0 430.486 -0.249 20 30 IBEDRN N#Cc1ccc(N2C[C@]3(COCCN(C(=O)[C@H]4CSCC(=O)N4)C3)OCC2=O)cc1 ZINC001180551195 1074201029 /nfs/dbraw/zinc/20/10/29/1074201029.db2.gz XYGZRQPYUCZISU-OXQOHEQNSA-N 0 0 430.486 -0.249 20 30 IBEDRN N#Cc1ccc(N2C[C@@]3(COCCN(C(=O)[C@H]4CSCC(=O)N4)C3)OCC2=O)cc1 ZINC001180551197 1074201047 /nfs/dbraw/zinc/20/10/47/1074201047.db2.gz XYGZRQPYUCZISU-UZLBHIALSA-N 0 0 430.486 -0.249 20 30 IBEDRN CS(=O)(=O)c1ccc(-n2ncc(C#N)c2NC(=O)CN2CCS(=O)(=O)CC2)cc1 ZINC001180590976 1074201473 /nfs/dbraw/zinc/20/14/73/1074201473.db2.gz GXSIRORGJQRKQM-UHFFFAOYSA-N 0 0 437.503 -0.184 20 30 IBEDRN CC(C)(C)OC(=O)N[C@H](CC(=O)N1CN[C@H](N)[C@@H]2NCN[C@@H]21)Cc1ccccc1C#N ZINC001180720150 1074205064 /nfs/dbraw/zinc/20/50/64/1074205064.db2.gz MQTRUVPZZCKSSM-DSLXNQLJSA-N 0 0 429.525 -0.097 20 30 IBEDRN CC(C)(C)OC(=O)N[C@H](CC(=O)N1CN[C@H](N)[C@H]2NCN[C@H]21)Cc1ccccc1C#N ZINC001180720163 1074205119 /nfs/dbraw/zinc/20/51/19/1074205119.db2.gz MQTRUVPZZCKSSM-NQYYFHDYSA-N 0 0 429.525 -0.097 20 30 IBEDRN CC(C)(C)OC(=O)N[C@H](CC(=O)N1CN[C@H](N)[C@@H]2NCN[C@H]21)Cc1ccccc1C#N ZINC001180720164 1074205139 /nfs/dbraw/zinc/20/51/39/1074205139.db2.gz MQTRUVPZZCKSSM-WNHJNPCNSA-N 0 0 429.525 -0.097 20 30 IBEDRN CC(C)(C)OC(=O)N[C@H](CC(=O)N1CN[C@H](N)[C@H]2NCN[C@@H]21)Cc1ccccc1C#N ZINC001180720166 1074205074 /nfs/dbraw/zinc/20/50/74/1074205074.db2.gz MQTRUVPZZCKSSM-WZGPROSRSA-N 0 0 429.525 -0.097 20 30 IBEDRN COC(=O)[C@H]1CN(C(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)C[C@H]1C(=O)OC ZINC001180754625 1074204555 /nfs/dbraw/zinc/20/45/55/1074204555.db2.gz XCQLKWXRGVGQMI-FPMFFAJLSA-N 0 0 437.474 -0.076 20 30 IBEDRN COC(=O)[C@@H]1CN(C(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)C[C@H]1C(=O)OC ZINC001180754626 1074204450 /nfs/dbraw/zinc/20/44/50/1074204450.db2.gz XCQLKWXRGVGQMI-IACUBPJLSA-N 0 0 437.474 -0.076 20 30 IBEDRN Cc1cn([C@H]2C[C@H](NC(=O)[C@H](CC#N)NC(=O)OC(C)(C)C)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001180784601 1074205108 /nfs/dbraw/zinc/20/51/08/1074205108.db2.gz GJDGLPGVIHWEDV-IGQOVBAYSA-N 0 0 437.453 -0.171 20 30 IBEDRN CC(C)(C)OC(=O)N[C@@H](CC#N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(N)=O ZINC001180784679 1074205044 /nfs/dbraw/zinc/20/50/44/1074205044.db2.gz ZCTZKAFKWWDRMG-KKUMJFAQSA-N 0 0 447.496 -0.280 20 30 IBEDRN CN1C(=O)C[C@@H](C(=O)N2CCOC[C@]3(CN(c4ccc(C#N)cc4)C(=O)CO3)C2)NC1=O ZINC001181129429 1074209424 /nfs/dbraw/zinc/20/94/24/1074209424.db2.gz RVEFWMFXPCNLSY-HRAATJIYSA-N 0 0 441.444 -0.541 20 30 IBEDRN CN1C(=O)C[C@@H](C(=O)N2CCOC[C@@]3(CN(c4ccc(C#N)cc4)C(=O)CO3)C2)NC1=O ZINC001181129434 1074209400 /nfs/dbraw/zinc/20/94/00/1074209400.db2.gz RVEFWMFXPCNLSY-KKSFZXQISA-N 0 0 441.444 -0.541 20 30 IBEDRN CC(C)(Oc1ccc(C#N)cc1)C(=O)N[C@H]1[C@H](n2ccc(N)nc2=O)O[C@H](CO)[C@H]1O ZINC001181205423 1074210842 /nfs/dbraw/zinc/21/08/42/1074210842.db2.gz RVMJHOQLYWXUBM-MWQQHZPXSA-N 0 0 429.433 -0.467 20 30 IBEDRN CN(C)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](NC(=O)Cc2ccccc2C#N)[C@H]1O ZINC001181803897 1074216245 /nfs/dbraw/zinc/21/62/45/1074216245.db2.gz FHASNXNDFFONDH-AUSMBZDKSA-N 0 0 437.460 -0.258 20 30 IBEDRN CC(=O)N[C@@H](CCO)C(=O)N1CCOC[C@]2(CN(c3ccc(C#N)cc3)C(=O)CO2)C1 ZINC001182120115 1074219297 /nfs/dbraw/zinc/21/92/97/1074219297.db2.gz OHOHKIBVELIEQQ-GHTZIAJQSA-N 0 0 430.461 -0.594 20 30 IBEDRN CC(=O)N[C@H](CCO)C(=O)N1CCOC[C@@]2(CN(c3ccc(C#N)cc3)C(=O)CO2)C1 ZINC001182120116 1074219474 /nfs/dbraw/zinc/21/94/74/1074219474.db2.gz OHOHKIBVELIEQQ-NQIIRXRSSA-N 0 0 430.461 -0.594 20 30 IBEDRN CC(=O)N[C@@H](CCO)C(=O)N1CCOC[C@@]2(CN(c3ccc(C#N)cc3)C(=O)CO2)C1 ZINC001182120117 1074219256 /nfs/dbraw/zinc/21/92/56/1074219256.db2.gz OHOHKIBVELIEQQ-RXVVDRJESA-N 0 0 430.461 -0.594 20 30 IBEDRN CC(=O)N[C@H](CCO)C(=O)N1CCOC[C@]2(CN(c3ccc(C#N)cc3)C(=O)CO2)C1 ZINC001182120118 1074219358 /nfs/dbraw/zinc/21/93/58/1074219358.db2.gz OHOHKIBVELIEQQ-WIYYLYMNSA-N 0 0 430.461 -0.594 20 30 IBEDRN CC(C)(C)OC(=O)N1C[C@H](OS(C)(=O)=O)C[C@H]1C(=O)NCCC(=O)N1CCOCC1 ZINC001182145330 1074219920 /nfs/dbraw/zinc/21/99/20/1074219920.db2.gz GEQPFCGRPRLJLY-KGLIPLIRSA-N 0 0 449.526 -0.294 20 30 IBEDRN CC(C)(C)OC(=O)N1C[C@H](OS(C)(=O)=O)C[C@H]1C(=O)N(O)C(=N)c1nonc1N ZINC001182145684 1074219889 /nfs/dbraw/zinc/21/98/89/1074219889.db2.gz KVPBJZWYPGFMFU-SFYZADRCSA-N 0 0 434.431 -0.451 20 30 IBEDRN CN1CCO[C@H]2CN(C(=O)[C@@H]3C[C@@H](OS(C)(=O)=O)CN3C(=O)OC(C)(C)C)C[C@H]21 ZINC001182149667 1074220400 /nfs/dbraw/zinc/22/04/00/1074220400.db2.gz DSQRWLTVGDZVDN-BARDWOONSA-N 0 0 433.527 -0.118 20 30 IBEDRN CC(C)(C)OC(=O)N1C[C@H](OS(C)(=O)=O)C[C@H]1C(=O)Nc1c(N)[nH]c(=O)[nH]c1=O ZINC001182149806 1074220280 /nfs/dbraw/zinc/22/02/80/1074220280.db2.gz FCAXZJRAFPMUTL-SFYZADRCSA-N 0 0 433.443 -0.237 20 30 IBEDRN COC(=O)CN1CCN(C(=O)[C@@H]2C[C@@H](OS(C)(=O)=O)CN2C(=O)OC(C)(C)C)CC1 ZINC001182149819 1074220370 /nfs/dbraw/zinc/22/03/70/1074220370.db2.gz FGXBERKJPYTGFC-KGLIPLIRSA-N 0 0 449.526 -0.342 20 30 IBEDRN CC(C)(C)OC(=O)N1C[C@H](OS(C)(=O)=O)C[C@H]1C(=O)N1CC[C@H](O)[C@](C)(CO)C1 ZINC001182149844 1074220275 /nfs/dbraw/zinc/22/02/75/1074220275.db2.gz FWSKASIHMKWQRM-COJSNBRMSA-N 0 0 436.527 -0.068 20 30 IBEDRN CC(C)(C)OC(=O)N1C[C@H](OS(C)(=O)=O)C[C@H]1C(=O)N1CC[C@H](O)[C@@](C)(CO)C1 ZINC001182149849 1074220316 /nfs/dbraw/zinc/22/03/16/1074220316.db2.gz FWSKASIHMKWQRM-KHSSZTOVSA-N 0 0 436.527 -0.068 20 30 IBEDRN CC(C)(C)OC(=O)N1C[C@H](OS(C)(=O)=O)C[C@H]1C(=O)N1CC[C@@H](O)[C@@](C)(CO)C1 ZINC001182149851 1074220311 /nfs/dbraw/zinc/22/03/11/1074220311.db2.gz FWSKASIHMKWQRM-KYZVSKTDSA-N 0 0 436.527 -0.068 20 30 IBEDRN CC(C)(C)OC(=O)N1C[C@H](OS(C)(=O)=O)C[C@H]1C(=O)N1CC[C@@H](O)[C@](C)(CO)C1 ZINC001182149854 1074220340 /nfs/dbraw/zinc/22/03/40/1074220340.db2.gz FWSKASIHMKWQRM-NPSOMJIGSA-N 0 0 436.527 -0.068 20 30 IBEDRN CC(C)(C)OC(=O)N1C[C@H](OS(C)(=O)=O)C[C@H]1C(=O)Nc1nccnc1C(N)=O ZINC001182149871 1074220290 /nfs/dbraw/zinc/22/02/90/1074220290.db2.gz GHPBHFRFLJAFQP-ZJUUUORDSA-N 0 0 429.455 -0.132 20 30 IBEDRN CC(C)(C)OC(=O)N1C[C@H](OS(C)(=O)=O)C[C@H]1C(=O)N1CC[C@@](C)(CO)[C@@H](O)C1 ZINC001182150148 1074220356 /nfs/dbraw/zinc/22/03/56/1074220356.db2.gz JKLFRFUGYDXMSP-COJSNBRMSA-N 0 0 436.527 -0.068 20 30 IBEDRN CC(C)(C)OC(=O)N1C[C@H](OS(C)(=O)=O)C[C@H]1C(=O)N1CC[C@](C)(CO)[C@@H](O)C1 ZINC001182150149 1074220397 /nfs/dbraw/zinc/22/03/97/1074220397.db2.gz JKLFRFUGYDXMSP-KHSSZTOVSA-N 0 0 436.527 -0.068 20 30 IBEDRN CC(C)(C)OC(=O)N1C[C@H](OS(C)(=O)=O)C[C@H]1C(=O)N1CC[C@](C)(CO)[C@H](O)C1 ZINC001182150151 1074220347 /nfs/dbraw/zinc/22/03/47/1074220347.db2.gz JKLFRFUGYDXMSP-KYZVSKTDSA-N 0 0 436.527 -0.068 20 30 IBEDRN CC(C)(C)OC(=O)N1C[C@H](OS(C)(=O)=O)C[C@H]1C(=O)N1CC[C@@](C)(CO)[C@H](O)C1 ZINC001182150152 1074220364 /nfs/dbraw/zinc/22/03/64/1074220364.db2.gz JKLFRFUGYDXMSP-NPSOMJIGSA-N 0 0 436.527 -0.068 20 30 IBEDRN CC(C)(C)OC(=O)N1C[C@H](OS(C)(=O)=O)C[C@H]1C(=O)N1CC(=O)N(C2CC2)C(=O)C1 ZINC001182150177 1074220382 /nfs/dbraw/zinc/22/03/82/1074220382.db2.gz KBMQWKRDRBFGRX-OLZOCXBDSA-N 0 0 445.494 -0.300 20 30 IBEDRN CC(C)(C)OC(=O)N1C[C@H](OS(C)(=O)=O)C[C@H]1C(=O)N1CCS(=O)(=O)CC1 ZINC001182150581 1074220264 /nfs/dbraw/zinc/22/02/64/1074220264.db2.gz OJVQLEMLXWCKCI-NEPJUHHUSA-N 0 0 426.513 -0.402 20 30 IBEDRN CN1C[C@@H]2CN(C(=O)[C@@H]3C[C@@H](OS(C)(=O)=O)CN3C(=O)OC(C)(C)C)C[C@@H]2C1=O ZINC001182150793 1074220391 /nfs/dbraw/zinc/22/03/91/1074220391.db2.gz RKHWBPYYAVGTMR-MQYQWHSLSA-N 0 0 431.511 -0.113 20 30 IBEDRN COC(=O)[C@H]1CN(C(=O)[C@@H]2C[C@@H](OS(C)(=O)=O)CN2C(=O)OC(C)(C)C)CCN1C ZINC001182151372 1074220320 /nfs/dbraw/zinc/22/03/20/1074220320.db2.gz LONRRGJQQCGUOR-HZSPNIEDSA-N 0 0 449.526 -0.344 20 30 IBEDRN COC(=O)[C@@H]1CN(C(=O)[C@@H]2C[C@@H](OS(C)(=O)=O)CN2C(=O)OC(C)(C)C)CCN1C ZINC001182151373 1074220385 /nfs/dbraw/zinc/22/03/85/1074220385.db2.gz LONRRGJQQCGUOR-RDBSUJKOSA-N 0 0 449.526 -0.344 20 30 IBEDRN COC(=O)[C@H]1CN(C)CCN1C(=O)[C@@H]1C[C@@H](OS(C)(=O)=O)CN1C(=O)OC(C)(C)C ZINC001182151450 1074220326 /nfs/dbraw/zinc/22/03/26/1074220326.db2.gz OXSDBUAKARZSLJ-HZSPNIEDSA-N 0 0 449.526 -0.344 20 30 IBEDRN COC(=O)[C@@H]1CN(C)CCN1C(=O)[C@@H]1C[C@@H](OS(C)(=O)=O)CN1C(=O)OC(C)(C)C ZINC001182151451 1074220296 /nfs/dbraw/zinc/22/02/96/1074220296.db2.gz OXSDBUAKARZSLJ-RDBSUJKOSA-N 0 0 449.526 -0.344 20 30 IBEDRN CC(C)(C)OC(=O)N1C[C@H](OS(C)(=O)=O)C[C@H]1C(=O)N1CC(NS(C)(=O)=O)C1 ZINC001182151537 1074220376 /nfs/dbraw/zinc/22/03/76/1074220376.db2.gz SPIRKZKMTNZPMZ-NEPJUHHUSA-N 0 0 441.528 -0.899 20 30 IBEDRN CC(C)(C)OC(=O)N1C[C@H](OS(C)(=O)=O)C[C@H]1C(=O)N1CCN2C(=O)COC[C@H]2C1 ZINC001182151607 1074220703 /nfs/dbraw/zinc/22/07/03/1074220703.db2.gz VOYFEPADSBSMRE-MCIONIFRSA-N 0 0 447.510 -0.590 20 30 IBEDRN CC(C)(C)OC(=O)N1C[C@H](OS(C)(=O)=O)C[C@H]1C(=O)N1CCN2C(=O)COC[C@@H]2C1 ZINC001182151610 1074220728 /nfs/dbraw/zinc/22/07/28/1074220728.db2.gz VOYFEPADSBSMRE-MJBXVCDLSA-N 0 0 447.510 -0.590 20 30 IBEDRN Cn1c(=O)cc(NC(=O)[C@@H]2C[C@@H](OS(C)(=O)=O)CN2C(=O)OC(C)(C)C)[nH]c1=O ZINC001182158482 1074220712 /nfs/dbraw/zinc/22/07/12/1074220712.db2.gz ATZSMAWCTPCEAX-ZJUUUORDSA-N 0 0 432.455 -0.221 20 30 IBEDRN CC(C)(C)OC(=O)N1C[C@H](OS(C)(=O)=O)C[C@H]1C(=O)NCCN1CC2(COC2)C1 ZINC001182159328 1074220706 /nfs/dbraw/zinc/22/07/06/1074220706.db2.gz WACOHHTYIGDDMG-KGLIPLIRSA-N 0 0 433.527 -0.211 20 30 IBEDRN N#Cc1ccc(N2C[C@]3(COCCN(C(=O)CC4CC(=O)NC(=O)C4)C3)OCC2=O)cc1 ZINC001182160605 1074220810 /nfs/dbraw/zinc/22/08/10/1074220810.db2.gz LFTKJJWZQOEPDT-JOCHJYFZSA-N 0 0 440.456 -0.038 20 30 IBEDRN N#Cc1ccc(N2C[C@@]3(COCCN(C(=O)CC4CC(=O)NC(=O)C4)C3)OCC2=O)cc1 ZINC001182160617 1074220822 /nfs/dbraw/zinc/22/08/22/1074220822.db2.gz LFTKJJWZQOEPDT-QFIPXVFZSA-N 0 0 440.456 -0.038 20 30 IBEDRN CN1CCN(C(=O)N2CCN(C(=O)CNS(=O)(=O)c3cccc(C#N)c3)CC2)CC1 ZINC001182637529 1074233126 /nfs/dbraw/zinc/23/31/26/1074233126.db2.gz QWFGHXTYZXNFIP-UHFFFAOYSA-N 0 0 434.522 -0.652 20 30 IBEDRN CN(CC(=O)N1CCOC[C@@]2(CN(c3ccc(C#N)cc3)C(=O)CO2)C1)S(C)(=O)=O ZINC001182878110 1074235994 /nfs/dbraw/zinc/23/59/94/1074235994.db2.gz HIMHRGBPKGENAI-IBGZPJMESA-N 0 0 436.490 -0.590 20 30 IBEDRN CN(CC(=O)N1CCOC[C@]2(CN(c3ccc(C#N)cc3)C(=O)CO2)C1)S(C)(=O)=O ZINC001182878111 1074236068 /nfs/dbraw/zinc/23/60/68/1074236068.db2.gz HIMHRGBPKGENAI-LJQANCHMSA-N 0 0 436.490 -0.590 20 30 IBEDRN CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)N(O)C(=N)c1nonc1N ZINC001182977459 1074237740 /nfs/dbraw/zinc/23/77/40/1074237740.db2.gz VKVFXIHLSWYVCF-DRZSPHRISA-N 0 0 439.473 -0.344 20 30 IBEDRN CC(C)CCNC(=O)[C@@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)N(O)C(=N)c1nonc1N ZINC001182977460 1074237824 /nfs/dbraw/zinc/23/78/24/1074237824.db2.gz VKVFXIHLSWYVCF-WXHSDQCUSA-N 0 0 439.473 -0.344 20 30 IBEDRN CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)N1CC(NS(C)(=O)=O)C1 ZINC001182980075 1074237777 /nfs/dbraw/zinc/23/77/77/1074237777.db2.gz GSZREQQDQPRHSH-JYJNAYRXSA-N 0 0 446.570 -0.793 20 30 IBEDRN CC(C)CCNC(=O)[C@@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)N1CC(NS(C)(=O)=O)C1 ZINC001182980076 1074237720 /nfs/dbraw/zinc/23/77/20/1074237720.db2.gz GSZREQQDQPRHSH-PMPSAXMXSA-N 0 0 446.570 -0.793 20 30 IBEDRN CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)N1CCO[C@@H](C(N)=O)C1 ZINC001182980085 1074237792 /nfs/dbraw/zinc/23/77/92/1074237792.db2.gz HDWOPNKXPJCXPW-FZKCQIBNSA-N 0 0 426.514 -0.840 20 30 IBEDRN CC(C)CCNC(=O)[C@@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)N1CCO[C@H](C(N)=O)C1 ZINC001182980086 1074237842 /nfs/dbraw/zinc/23/78/42/1074237842.db2.gz HDWOPNKXPJCXPW-UGUYLWEFSA-N 0 0 426.514 -0.840 20 30 IBEDRN CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)N1CCO[C@H](C(N)=O)C1 ZINC001182980087 1074237846 /nfs/dbraw/zinc/23/78/46/1074237846.db2.gz HDWOPNKXPJCXPW-VGWMRTNUSA-N 0 0 426.514 -0.840 20 30 IBEDRN CC(C)CCNC(=O)[C@@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)N1CCO[C@@H](C(N)=O)C1 ZINC001182980088 1074237820 /nfs/dbraw/zinc/23/78/20/1074237820.db2.gz HDWOPNKXPJCXPW-WCVJEAGWSA-N 0 0 426.514 -0.840 20 30 IBEDRN CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)N1CC[C@@H](CO)[C@@H](O)C1 ZINC001182980432 1074237810 /nfs/dbraw/zinc/23/78/10/1074237810.db2.gz GPGRLKCJJUINSQ-ATIWLJMLSA-N 0 0 427.542 -0.351 20 30 IBEDRN CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)N1CC[C@H](CO)[C@@H](O)C1 ZINC001182980434 1074237732 /nfs/dbraw/zinc/23/77/32/1074237732.db2.gz GPGRLKCJJUINSQ-FPSMNIFISA-N 0 0 427.542 -0.351 20 30 IBEDRN CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)N1CC[C@@H](CO)[C@H](O)C1 ZINC001182980435 1074237772 /nfs/dbraw/zinc/23/77/72/1074237772.db2.gz GPGRLKCJJUINSQ-JCECYMMASA-N 0 0 427.542 -0.351 20 30 IBEDRN CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)N1CC[C@H](CO)[C@H](O)C1 ZINC001182980437 1074237836 /nfs/dbraw/zinc/23/78/36/1074237836.db2.gz GPGRLKCJJUINSQ-WKULXVSPSA-N 0 0 427.542 -0.351 20 30 IBEDRN CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)N1CCS(=O)(=O)CC1 ZINC001182981161 1074237852 /nfs/dbraw/zinc/23/78/52/1074237852.db2.gz NNHHFSJRLXLKFR-JYJNAYRXSA-N 0 0 431.555 -0.296 20 30 IBEDRN CC(C)CCNC(=O)[C@@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)N1CCS(=O)(=O)CC1 ZINC001182981162 1074237755 /nfs/dbraw/zinc/23/77/55/1074237755.db2.gz NNHHFSJRLXLKFR-PMPSAXMXSA-N 0 0 431.555 -0.296 20 30 IBEDRN CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)N1CCN(C(N)=O)CC1 ZINC001182981404 1074237767 /nfs/dbraw/zinc/23/77/67/1074237767.db2.gz OTAZNMUISZUKGQ-JYJNAYRXSA-N 0 0 425.530 -0.330 20 30 IBEDRN CC(C)CCNC(=O)[C@@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)N1CCN(C(N)=O)CC1 ZINC001182981406 1074238046 /nfs/dbraw/zinc/23/80/46/1074238046.db2.gz OTAZNMUISZUKGQ-PMPSAXMXSA-N 0 0 425.530 -0.330 20 30 IBEDRN CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)Nc1nccnc1C(N)=O ZINC001182981617 1074238038 /nfs/dbraw/zinc/23/80/38/1074238038.db2.gz QXOJYGHKGJLUMI-QEJZJMRPSA-N 0 0 434.497 -0.025 20 30 IBEDRN CC(C)CCNC(=O)[C@@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)Nc1nccnc1C(N)=O ZINC001182981618 1074238052 /nfs/dbraw/zinc/23/80/52/1074238052.db2.gz QXOJYGHKGJLUMI-SNPRPXQTSA-N 0 0 434.497 -0.025 20 30 IBEDRN CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)N1CC[C@H](O)[C@H](CO)C1 ZINC001182981957 1074238126 /nfs/dbraw/zinc/23/81/26/1074238126.db2.gz UDESTDOYXLWUAK-ATIWLJMLSA-N 0 0 427.542 -0.351 20 30 IBEDRN CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)N1CC[C@H](O)[C@@H](CO)C1 ZINC001182981958 1074238165 /nfs/dbraw/zinc/23/81/65/1074238165.db2.gz UDESTDOYXLWUAK-FPSMNIFISA-N 0 0 427.542 -0.351 20 30 IBEDRN CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)N1CC[C@@H](O)[C@H](CO)C1 ZINC001182981959 1074238135 /nfs/dbraw/zinc/23/81/35/1074238135.db2.gz UDESTDOYXLWUAK-JCECYMMASA-N 0 0 427.542 -0.351 20 30 IBEDRN CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)N1CC[C@@H](O)[C@@H](CO)C1 ZINC001182981960 1074238018 /nfs/dbraw/zinc/23/80/18/1074238018.db2.gz UDESTDOYXLWUAK-WKULXVSPSA-N 0 0 427.542 -0.351 20 30 IBEDRN CC(C)CCNC(=O)[C@@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)N1C[C@@H]2[C@H](C1)OCCN2C ZINC001182982197 1074238141 /nfs/dbraw/zinc/23/81/41/1074238141.db2.gz WARXAZPCAKQBQI-GFEQUFNTSA-N 0 0 438.569 -0.012 20 30 IBEDRN CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)N1C[C@@H]2[C@H](C1)OCCN2C ZINC001182982205 1074238199 /nfs/dbraw/zinc/23/81/99/1074238199.db2.gz WARXAZPCAKQBQI-PJVZLEMVSA-N 0 0 438.569 -0.012 20 30 IBEDRN CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)N1C[C@H]2CN(C)C(=O)[C@H]2C1 ZINC001182982324 1074238190 /nfs/dbraw/zinc/23/81/90/1074238190.db2.gz YTVLDCDUQVBVNP-FPSMNIFISA-N 0 0 436.553 -0.006 20 30 IBEDRN CC(C)CCNC(=O)[C@@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)N1C[C@H]2CN(C)C(=O)[C@H]2C1 ZINC001182982325 1074238174 /nfs/dbraw/zinc/23/81/74/1074238174.db2.gz YTVLDCDUQVBVNP-WKULXVSPSA-N 0 0 436.553 -0.006 20 30 IBEDRN CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)NCCS(=O)(=O)N(C)C ZINC001182983115 1074238063 /nfs/dbraw/zinc/23/80/63/1074238063.db2.gz GAPNEVHKZVFIGY-JYJNAYRXSA-N 0 0 448.586 -0.545 20 30 IBEDRN CC(C)CCNC(=O)[C@@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)NCCS(=O)(=O)N(C)C ZINC001182983116 1074238008 /nfs/dbraw/zinc/23/80/08/1074238008.db2.gz GAPNEVHKZVFIGY-PMPSAXMXSA-N 0 0 448.586 -0.545 20 30 IBEDRN CC(C)CCNC(=O)[C@@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)N[C@H]1C=CS(=O)(=O)C1 ZINC001182983153 1074238101 /nfs/dbraw/zinc/23/81/01/1074238101.db2.gz GRAQOXLJJWHGEX-FZKCQIBNSA-N 0 0 429.539 -0.126 20 30 IBEDRN CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H]1C=CS(=O)(=O)C1 ZINC001182983154 1074238614 /nfs/dbraw/zinc/23/86/14/1074238614.db2.gz GRAQOXLJJWHGEX-UGUYLWEFSA-N 0 0 429.539 -0.126 20 30 IBEDRN CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)N[C@H]1C=CS(=O)(=O)C1 ZINC001182983155 1074238648 /nfs/dbraw/zinc/23/86/48/1074238648.db2.gz GRAQOXLJJWHGEX-VGWMRTNUSA-N 0 0 429.539 -0.126 20 30 IBEDRN CC(C)CCNC(=O)[C@@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H]1C=CS(=O)(=O)C1 ZINC001182983156 1074238527 /nfs/dbraw/zinc/23/85/27/1074238527.db2.gz GRAQOXLJJWHGEX-WCVJEAGWSA-N 0 0 429.539 -0.126 20 30 IBEDRN CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)NCCN1CC2(COC2)C1 ZINC001182983626 1074238562 /nfs/dbraw/zinc/23/85/62/1074238562.db2.gz KSMZBPGXLCSIEQ-BZSNNMDCSA-N 0 0 438.569 -0.105 20 30 IBEDRN CC(C)CCNC(=O)[C@@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)NCCN1CC2(COC2)C1 ZINC001182983627 1074238536 /nfs/dbraw/zinc/23/85/36/1074238536.db2.gz KSMZBPGXLCSIEQ-SQNIBIBYSA-N 0 0 438.569 -0.105 20 30 IBEDRN CC(C)CCNC(=O)[C@@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)NC[C@@H]1COCCN1C ZINC001182983872 1074238577 /nfs/dbraw/zinc/23/85/77/1074238577.db2.gz NYOWIHHLNWYPNE-BDXSIMOUSA-N 0 0 426.558 -0.106 20 30 IBEDRN CC(C)CCNC(=O)[C@@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)NC[C@H]1COCCN1C ZINC001182983873 1074238694 /nfs/dbraw/zinc/23/86/94/1074238694.db2.gz NYOWIHHLNWYPNE-MHORFTMASA-N 0 0 426.558 -0.106 20 30 IBEDRN CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)NC[C@@H]1COCCN1C ZINC001182983874 1074238608 /nfs/dbraw/zinc/23/86/08/1074238608.db2.gz NYOWIHHLNWYPNE-OWSLCNJRSA-N 0 0 426.558 -0.106 20 30 IBEDRN CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)NC[C@H]1COCCN1C ZINC001182983875 1074238631 /nfs/dbraw/zinc/23/86/31/1074238631.db2.gz NYOWIHHLNWYPNE-XSLAGTTESA-N 0 0 426.558 -0.106 20 30 IBEDRN CC(C)CCNC(=O)[C@@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)NC1CC(CO)(CO)C1 ZINC001182983933 1074238704 /nfs/dbraw/zinc/23/87/04/1074238704.db2.gz NZUBZOUEGLTXGQ-IKGGRYGDSA-N 0 0 427.542 -0.303 20 30 IBEDRN CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)NC1CC(CO)(CO)C1 ZINC001182983935 1074238596 /nfs/dbraw/zinc/23/85/96/1074238596.db2.gz NZUBZOUEGLTXGQ-ULQDDVLXSA-N 0 0 427.542 -0.303 20 30 IBEDRN CC(C)CCNC(=O)[C@@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)NC[C@@H]1CN(C)CCO1 ZINC001182984204 1074238709 /nfs/dbraw/zinc/23/87/09/1074238709.db2.gz QIWQJVNAKZDMED-BDXSIMOUSA-N 0 0 426.558 -0.106 20 30 IBEDRN CC(C)CCNC(=O)[C@@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)NC[C@H]1CN(C)CCO1 ZINC001182984205 1074238674 /nfs/dbraw/zinc/23/86/74/1074238674.db2.gz QIWQJVNAKZDMED-MHORFTMASA-N 0 0 426.558 -0.106 20 30 IBEDRN CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)NC[C@@H]1CN(C)CCO1 ZINC001182984206 1074238728 /nfs/dbraw/zinc/23/87/28/1074238728.db2.gz QIWQJVNAKZDMED-OWSLCNJRSA-N 0 0 426.558 -0.106 20 30 IBEDRN CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)NC[C@H]1CN(C)CCO1 ZINC001182984207 1074238655 /nfs/dbraw/zinc/23/86/55/1074238655.db2.gz QIWQJVNAKZDMED-XSLAGTTESA-N 0 0 426.558 -0.106 20 30 IBEDRN CNS(=O)(=O)CCNC(=O)[C@H]1O[C@@H]1C(=O)N[C@H](CC(C)C)C(=O)NCCC(C)C ZINC001182984212 1074238622 /nfs/dbraw/zinc/23/86/22/1074238622.db2.gz QKIHGXVKEUNVSG-ILXRZTDVSA-N 0 0 434.559 -0.888 20 30 IBEDRN CNS(=O)(=O)CCNC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C ZINC001182984213 1074238582 /nfs/dbraw/zinc/23/85/82/1074238582.db2.gz QKIHGXVKEUNVSG-KKUMJFAQSA-N 0 0 434.559 -0.888 20 30 IBEDRN CC(C)CCNC(=O)[C@@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CO)Cc1c[nH]cn1 ZINC001182984646 1074239036 /nfs/dbraw/zinc/23/90/36/1074239036.db2.gz URXHEYDIRPBXJK-BDXSIMOUSA-N 0 0 437.541 -0.110 20 30 IBEDRN CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CO)Cc1c[nH]cn1 ZINC001182984648 1074238970 /nfs/dbraw/zinc/23/89/70/1074238970.db2.gz URXHEYDIRPBXJK-OWSLCNJRSA-N 0 0 437.541 -0.110 20 30 IBEDRN CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)NC1CN(S(C)(=O)=O)C1 ZINC001182984732 1074239017 /nfs/dbraw/zinc/23/90/17/1074239017.db2.gz VSJSAPDTTQRZBD-JYJNAYRXSA-N 0 0 446.570 -0.793 20 30 IBEDRN CC(C)CCNC(=O)[C@@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)NC1CN(S(C)(=O)=O)C1 ZINC001182984733 1074239059 /nfs/dbraw/zinc/23/90/59/1074239059.db2.gz VSJSAPDTTQRZBD-PMPSAXMXSA-N 0 0 446.570 -0.793 20 30 IBEDRN COC(=O)[C@@H](NC(=O)[C@H]1O[C@@H]1C(=O)N[C@H](CC(C)C)C(=O)NCCC(C)C)[C@@H](C)O ZINC001182984754 1074238952 /nfs/dbraw/zinc/23/89/52/1074238952.db2.gz WHWIQJCEJKOOHW-OWYFMNJBSA-N 0 0 429.514 -0.514 20 30 IBEDRN COC(=O)[C@@H](NC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C)[C@@H](C)O ZINC001182984755 1074239081 /nfs/dbraw/zinc/23/90/81/1074239081.db2.gz WHWIQJCEJKOOHW-YXMSTPNBSA-N 0 0 429.514 -0.514 20 30 IBEDRN CC(C)CCNC(=O)[C@@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)Nc1cc(=O)n(C)c(=O)[nH]1 ZINC001182984770 1074238907 /nfs/dbraw/zinc/23/89/07/1074238907.db2.gz WOWOUHZYGDVUNX-KCXAZCMYSA-N 0 0 437.497 -0.115 20 30 IBEDRN CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)Nc1cc(=O)n(C)c(=O)[nH]1 ZINC001182984771 1074238893 /nfs/dbraw/zinc/23/88/93/1074238893.db2.gz WOWOUHZYGDVUNX-RCBQFDQVSA-N 0 0 437.497 -0.115 20 30 IBEDRN CC(C)CCNC(=O)[C@@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC001182984774 1074238912 /nfs/dbraw/zinc/23/89/12/1074238912.db2.gz WSKQBAISWLZIKL-FZKCQIBNSA-N 0 0 431.555 -0.250 20 30 IBEDRN CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC001182984775 1074239002 /nfs/dbraw/zinc/23/90/02/1074239002.db2.gz WSKQBAISWLZIKL-UGUYLWEFSA-N 0 0 431.555 -0.250 20 30 IBEDRN CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC001182984776 1074239067 /nfs/dbraw/zinc/23/90/67/1074239067.db2.gz WSKQBAISWLZIKL-VGWMRTNUSA-N 0 0 431.555 -0.250 20 30 IBEDRN CC(C)CCNC(=O)[C@@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC001182984777 1074239010 /nfs/dbraw/zinc/23/90/10/1074239010.db2.gz WSKQBAISWLZIKL-WCVJEAGWSA-N 0 0 431.555 -0.250 20 30 IBEDRN CC(C)CCNC(=O)[C@@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)NC[C@@H]1CNC(=O)CO1 ZINC001182985086 1074239077 /nfs/dbraw/zinc/23/90/77/1074239077.db2.gz YYJHTROHGZIQBY-FSDCSDTHSA-N 0 0 426.514 -0.922 20 30 IBEDRN CC(C)CCNC(=O)[C@@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)NC[C@H]1CNC(=O)CO1 ZINC001182985087 1074238943 /nfs/dbraw/zinc/23/89/43/1074238943.db2.gz YYJHTROHGZIQBY-JHNDHUHGSA-N 0 0 426.514 -0.922 20 30 IBEDRN CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)NC[C@H]1CNC(=O)CO1 ZINC001182985088 1074239024 /nfs/dbraw/zinc/23/90/24/1074239024.db2.gz YYJHTROHGZIQBY-OHFALNGGSA-N 0 0 426.514 -0.922 20 30 IBEDRN CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)NC[C@@H]1CNC(=O)CO1 ZINC001182985089 1074238963 /nfs/dbraw/zinc/23/89/63/1074238963.db2.gz YYJHTROHGZIQBY-OTRWWLKZSA-N 0 0 426.514 -0.922 20 30 IBEDRN CS(=O)(=O)N1CC(C(=O)N2CCOC[C@@]3(CN(c4ccc(C#N)cc4)C(=O)CO3)C2)C1 ZINC001183020967 1074239489 /nfs/dbraw/zinc/23/94/89/1074239489.db2.gz NFMXFKGRZJCFAO-FQEVSTJZSA-N 0 0 448.501 -0.590 20 30 IBEDRN CS(=O)(=O)N1CC(C(=O)N2CCOC[C@]3(CN(c4ccc(C#N)cc4)C(=O)CO3)C2)C1 ZINC001183020969 1074239390 /nfs/dbraw/zinc/23/93/90/1074239390.db2.gz NFMXFKGRZJCFAO-HXUWFJFHSA-N 0 0 448.501 -0.590 20 30 IBEDRN CCN1CCN(C(=O)N[C@@H](C(=O)N(O)C(=N)c2nonc2N)c2ccccc2)C(=O)C1=O ZINC001183153665 1074242014 /nfs/dbraw/zinc/24/20/14/1074242014.db2.gz OSZGRERVSIOBBW-LLVKDONJSA-N 0 0 444.408 -0.663 20 30 IBEDRN CCN1CCN(C(=O)N[C@@H](C(=O)N[C@@H](CS)C(=O)OC)c2ccccc2)C(=O)C1=O ZINC001183155305 1074240565 /nfs/dbraw/zinc/24/05/65/1074240565.db2.gz FMFDPCOWAPPYMR-UONOGXRCSA-N 0 0 436.490 -0.284 20 30 IBEDRN CCOC(=O)[C@@H](C#N)NC(=O)[C@H](NC(=O)N1CCN(CC)C(=O)C1=O)c1ccccc1 ZINC001183156419 1074242879 /nfs/dbraw/zinc/24/28/79/1074242879.db2.gz VSUKGQKAGDLSFK-HUUCEWRRSA-N 0 0 429.433 -0.301 20 30 IBEDRN CCOC(=O)[C@H](C#N)NC(=O)[C@H](NC(=O)N1CCN(CC)C(=O)C1=O)c1ccccc1 ZINC001183156787 1074242907 /nfs/dbraw/zinc/24/29/07/1074242907.db2.gz VSUKGQKAGDLSFK-LSDHHAIUSA-N 0 0 429.433 -0.301 20 30 IBEDRN Cn1cc(C(=O)NC[C@@H]2CCCN2C(=O)CNS(=O)(=O)c2cccc(C#N)c2)cn1 ZINC001183460489 1074245939 /nfs/dbraw/zinc/24/59/39/1074245939.db2.gz PHUOENZUIUUWGB-INIZCTEOSA-N 0 0 430.490 -0.009 20 30 IBEDRN Cn1cc(C(=O)NC[C@H]2CCCN2C(=O)CNS(=O)(=O)c2cccc(C#N)c2)cn1 ZINC001183460496 1074245966 /nfs/dbraw/zinc/24/59/66/1074245966.db2.gz PHUOENZUIUUWGB-MRXNPFEDSA-N 0 0 430.490 -0.009 20 30 IBEDRN C=C1CN(C(=O)OC(C)(C)C)[C@](C)(C(=O)NCCO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)C1 ZINC001183627327 1074248001 /nfs/dbraw/zinc/24/80/01/1074248001.db2.gz RFYUYRUUMINFTN-PVJXQJACSA-N 0 0 430.498 -0.098 20 30 IBEDRN CC(=O)N[C@H](C(=O)N1CCOC[C@@]2(CN(c3ccc(C#N)cc3)C(=O)CO2)C1)[C@@H](C)O ZINC001183697512 1074248337 /nfs/dbraw/zinc/24/83/37/1074248337.db2.gz GGMNEMDEKFDDNC-RFVSGWPVSA-N 0 0 430.461 -0.595 20 30 IBEDRN CC(=O)N[C@H](C(=O)N1CCOC[C@]2(CN(c3ccc(C#N)cc3)C(=O)CO2)C1)[C@@H](C)O ZINC001183697513 1074248521 /nfs/dbraw/zinc/24/85/21/1074248521.db2.gz GGMNEMDEKFDDNC-XWRIVVANSA-N 0 0 430.461 -0.595 20 30 IBEDRN Nc1nonc1C(=Nc1ccc(F)c(Cl)c1)N(O)C(=O)C[C@@H]1NC(=O)CNC1=O ZINC001183717687 1074250517 /nfs/dbraw/zinc/25/05/17/1074250517.db2.gz KJBARWOQHFMGIV-VIFPVBQESA-N 0 0 425.764 -0.255 20 30 IBEDRN N#Cc1cccc(N2CCOC[C@]3(CCCN(C(=O)C[C@@H]4NC(=O)CNC4=O)C3)C2)n1 ZINC001183717793 1074250682 /nfs/dbraw/zinc/25/06/82/1074250682.db2.gz IYPJEEUBJKFDRX-HRAATJIYSA-N 0 0 426.477 -0.597 20 30 IBEDRN N#Cc1cccc(N2CCOC[C@@]3(CCCN(C(=O)C[C@@H]4NC(=O)CNC4=O)C3)C2)n1 ZINC001183717795 1074250536 /nfs/dbraw/zinc/25/05/36/1074250536.db2.gz IYPJEEUBJKFDRX-KKSFZXQISA-N 0 0 426.477 -0.597 20 30 IBEDRN Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2C(=O)n2nc(N)c(C#N)c2N)cc1 ZINC001183774013 1074252349 /nfs/dbraw/zinc/25/23/49/1074252349.db2.gz OOPHHODHZMZMMM-AWEZNQCLSA-N 0 0 431.478 -0.163 20 30 IBEDRN COC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)CNS(=O)(=O)c1ccc(C)cc1 ZINC001183775505 1074252332 /nfs/dbraw/zinc/25/23/32/1074252332.db2.gz BYJKFSVMEGHVRT-GJZGRUSLSA-N 0 0 443.547 -0.148 20 30 IBEDRN CCOC(=O)[C@@H](C#N)NC(=O)[C@@H]1CCCN1C(=O)CNS(=O)(=O)c1ccc(C)cc1 ZINC001183775522 1074252375 /nfs/dbraw/zinc/25/23/75/1074252375.db2.gz CMSXRIUEEZRBBI-CVEARBPZSA-N 0 0 436.490 -0.164 20 30 IBEDRN CCOC(=O)[C@H](C#N)NC(=O)[C@@H]1CCCN1C(=O)CNS(=O)(=O)c1ccc(C)cc1 ZINC001183775523 1074252355 /nfs/dbraw/zinc/25/23/55/1074252355.db2.gz CMSXRIUEEZRBBI-HOTGVXAUSA-N 0 0 436.490 -0.164 20 30 IBEDRN C[C@@H]1O[C@@H](OCCNC(=O)[C@@H]2CCCCN2Cc2ccccc2C#N)[C@@H](O)[C@H](O)[C@@H]1O ZINC001183840973 1074253159 /nfs/dbraw/zinc/25/31/59/1074253159.db2.gz WOSLXIUSOCNSID-BTMHVEKBSA-N 0 0 433.505 -0.127 20 30 IBEDRN C[C@@H]1O[C@@H](OCCNC(=O)[C@H]2CCCCN2Cc2ccccc2C#N)[C@@H](O)[C@H](O)[C@@H]1O ZINC001183840981 1074253282 /nfs/dbraw/zinc/25/32/82/1074253282.db2.gz WOSLXIUSOCNSID-NFRZRZOGSA-N 0 0 433.505 -0.127 20 30 IBEDRN C[C@@H]1NC(=O)[C@H](CCC(=O)Nc2c(C#N)cnn2-c2ccc(S(C)(=O)=O)cc2)NC1=O ZINC001184065253 1074255345 /nfs/dbraw/zinc/25/53/45/1074255345.db2.gz YUUOZFSREGQOJA-NHYWBVRUSA-N 0 0 444.473 -0.131 20 30 IBEDRN COc1nc(C(=NC(=O)CC[C@@H]2NC(=O)[C@H](C)NC2=O)NO)ccc1-n1cnc(C)c1 ZINC001184103025 1074257516 /nfs/dbraw/zinc/25/75/16/1074257516.db2.gz WUIGVIMIXIWNIH-AAEUAGOBSA-N 0 0 429.437 -0.380 20 30 IBEDRN C#CC[C@]1(C(=O)NCCO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)CCCN1C(=O)OC(C)(C)C ZINC001184105036 1074257502 /nfs/dbraw/zinc/25/75/02/1074257502.db2.gz ZLGZCQPUGLZTMN-QYAIRVGWSA-N 0 0 442.509 -0.260 20 30 IBEDRN N#Cc1cccc(N2C[C@H](C(=O)n3c(N)c4ncn(COCCO)c4nc3=N)OC2=O)c1 ZINC001184374829 1074259376 /nfs/dbraw/zinc/25/93/76/1074259376.db2.gz ULSZKTYGLFFZBD-CYBMUJFWSA-N 0 0 438.404 -0.202 20 30 IBEDRN N#Cc1cccc(N2C[C@@H](C(=O)n3c(N)c4ncn(COCCO)c4nc3=N)OC2=O)c1 ZINC001184374841 1074259280 /nfs/dbraw/zinc/25/92/80/1074259280.db2.gz ULSZKTYGLFFZBD-ZDUSSCGKSA-N 0 0 438.404 -0.202 20 30 IBEDRN CC(C)(C)OC(=O)N1CCN([C@@H](C(=O)NC(CO)(CO)CO)c2ccc(C#N)cc2)CC1 ZINC001184612502 1074262038 /nfs/dbraw/zinc/26/20/38/1074262038.db2.gz SCOMNQRAPYHIHW-GOSISDBHSA-N 0 0 448.520 -0.016 20 30 IBEDRN CC(C)(C)OC(=O)N1CCN([C@H](C(=O)NC(CO)(CO)CO)c2ccc(C#N)cc2)CC1 ZINC001184612517 1074262029 /nfs/dbraw/zinc/26/20/29/1074262029.db2.gz SCOMNQRAPYHIHW-SFHVURJKSA-N 0 0 448.520 -0.016 20 30 IBEDRN O=C[C@H](NS(=O)(=O)c1ccc(Br)cc1Cl)[C@@H](O)[C@H](O)[C@H](O)CO ZINC001184815960 1074262912 /nfs/dbraw/zinc/26/29/12/1074262912.db2.gz NJGWSIUIMJJEHB-LUTQBAROSA-N 0 0 432.676 -0.977 20 30 IBEDRN N#Cc1c(Cl)cc(C(=O)N[C@H]2[C@H](n3ccc(N)nc3=O)O[C@H](CO)[C@H]2O)nc1Cl ZINC001184818768 1074262986 /nfs/dbraw/zinc/26/29/86/1074262986.db2.gz ZLIQHWCWQQGTHB-SDBHATRESA-N 0 0 441.231 -0.309 20 30 IBEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)N3CC=CC3)=CCS[C@H]12)c1csc(N)n1 ZINC001185589597 1074270434 /nfs/dbraw/zinc/27/04/34/1074270434.db2.gz AGKHXTDRVVIQSV-MOVDGAIVSA-N 0 0 434.503 -0.242 20 30 IBEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)N3CC[C@@H]3C)=CCS[C@H]12)c1csc(N)n1 ZINC001185589690 1074270428 /nfs/dbraw/zinc/27/04/28/1074270428.db2.gz BJNGYDHBWFHTLB-HDGCMBBNSA-N 0 0 436.519 -0.020 20 30 IBEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)N3CC[C@H]3C)=CCS[C@H]12)c1csc(N)n1 ZINC001185589695 1074270906 /nfs/dbraw/zinc/27/09/06/1074270906.db2.gz BJNGYDHBWFHTLB-JAKGSUHNSA-N 0 0 436.519 -0.020 20 30 IBEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)N3CCCC3)=CCS[C@H]12)c1csc(N)n1 ZINC001185589776 1074270875 /nfs/dbraw/zinc/27/08/75/1074270875.db2.gz DIEJGUWVDBUUMM-MOVDGAIVSA-N 0 0 436.519 -0.018 20 30 IBEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)NCC(F)F)=CCS[C@H]12)c1csc(N)n1 ZINC001185590075 1074270767 /nfs/dbraw/zinc/27/07/67/1074270767.db2.gz ISRKJYCGZLWPKF-RKYNPMAHSA-N 0 0 446.461 -0.259 20 30 IBEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)N3C[C@@H]4C[C@@H]4C3)=CCS[C@H]12)c1csc(N)n1 ZINC001185590586 1074270902 /nfs/dbraw/zinc/27/09/02/1074270902.db2.gz MSLZWGCLJWTXQF-JBYCQIINSA-N 0 0 448.530 -0.162 20 30 IBEDRN C#CCCCNC(=O)C1=CCS[C@@H]2[C@H](NC(=O)/C(=N\OC)c3csc(N)n3)C(=O)N12 ZINC001185590848 1074270919 /nfs/dbraw/zinc/27/09/19/1074270919.db2.gz NZBRIPAIBODHEX-ZKDACBOMSA-N 0 0 448.530 -0.111 20 30 IBEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)N[C@@H]3C[C@H]3F)=CCS[C@H]12)c1csc(N)n1 ZINC001185591037 1074270939 /nfs/dbraw/zinc/27/09/39/1074270939.db2.gz CQQGIWPEFOIDNY-AZRLRKQGSA-N 0 0 440.482 -0.414 20 30 IBEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)Nc3cnoc3)=CCS[C@H]12)c1csc(N)n1 ZINC001185591226 1074270793 /nfs/dbraw/zinc/27/07/93/1074270793.db2.gz RNUWXHYRVSKKKY-PCZSKDDWSA-N 0 0 449.474 -0.014 20 30 IBEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)Nc3c[nH]cn3)=CCS[C@H]12)c1csc(N)n1 ZINC001185591620 1074270910 /nfs/dbraw/zinc/27/09/10/1074270910.db2.gz VGKLBGKLSXUROU-LGAWNBMASA-N 0 0 448.490 -0.279 20 30 IBEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)N(C)CC#N)=CCS[C@H]12)c1csc(N)n1 ZINC001185591635 1074270936 /nfs/dbraw/zinc/27/09/36/1074270936.db2.gz VIRZLCHKHUKOCD-QVJRADPESA-N 0 0 435.491 -0.658 20 30 IBEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)Nc3cc[nH]n3)=CCS[C@H]12)c1csc(N)n1 ZINC001185591655 1074270949 /nfs/dbraw/zinc/27/09/49/1074270949.db2.gz WKTMYEQZPQNVNZ-LGAWNBMASA-N 0 0 448.490 -0.279 20 30 IBEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)N(C)[C@@H](C)C#N)=CCS[C@H]12)c1csc(N)n1 ZINC001185591922 1074270891 /nfs/dbraw/zinc/27/08/91/1074270891.db2.gz ZVUPYLHVBVBEPZ-MJPPQAFUSA-N 0 0 449.518 -0.270 20 30 IBEDRN CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)N(C)[C@H](C)C#N)=CCS[C@H]12)c1csc(N)n1 ZINC001185591925 1074270916 /nfs/dbraw/zinc/27/09/16/1074270916.db2.gz ZVUPYLHVBVBEPZ-PQFXOBGOSA-N 0 0 449.518 -0.270 20 30 IBEDRN C#C[C@H](C)NC(=O)C1=CCS[C@@H]2[C@H](NC(=O)/C(=N\OC)c3csc(N)n3)C(=O)N12 ZINC001185592131 1074270883 /nfs/dbraw/zinc/27/08/83/1074270883.db2.gz SYMPRLZUWAWQFY-MJPPQAFUSA-N 0 0 434.503 -0.503 20 30 IBEDRN C#C[C@@H](C)NC(=O)C1=CCS[C@@H]2[C@H](NC(=O)/C(=N\OC)c3csc(N)n3)C(=O)N12 ZINC001185592133 1074270945 /nfs/dbraw/zinc/27/09/45/1074270945.db2.gz SYMPRLZUWAWQFY-PQFXOBGOSA-N 0 0 434.503 -0.503 20 30 IBEDRN COC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)n1c(N)c(C#N)c(N)nc1=NC1CC1)C(C)C ZINC001185671317 1074275844 /nfs/dbraw/zinc/27/58/44/1074275844.db2.gz LUMRKGFWPKOSBT-KBPBESRZSA-N 0 0 444.496 -0.006 20 30 IBEDRN CC(C)(C)[C@H](NC(=O)OC1CCCC1)C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@H](C#N)C(N)=O ZINC001185764899 1074276638 /nfs/dbraw/zinc/27/66/38/1074276638.db2.gz ZNGLDHODUOBQGB-REBRKWNGSA-N 0 0 437.497 -0.475 20 30 IBEDRN CC(C)(C)[C@H](NC(=O)OC1CCCC1)C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](C#N)C(N)=O ZINC001185764900 1074276650 /nfs/dbraw/zinc/27/66/50/1074276650.db2.gz ZNGLDHODUOBQGB-UQOMUDLDSA-N 0 0 437.497 -0.475 20 30 IBEDRN CCOC(=O)N[C@@H](CC(N)=O)C(=O)N=C(NO)c1ccc(-n2cnc(C)c2)c(OC)n1 ZINC001185879495 1074280777 /nfs/dbraw/zinc/28/07/77/1074280777.db2.gz FIVMMAKUHIOSBA-LBPRGKRZSA-N 0 0 433.425 -0.174 20 30 IBEDRN COC(=O)c1cc(C#N)ccc1S(=O)(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC001185907876 1074280751 /nfs/dbraw/zinc/28/07/51/1074280751.db2.gz FNNPFJUCVHHFLX-UHFFFAOYSA-N 0 0 430.508 -0.800 20 30 IBEDRN C=CCN1c2ccc(NC(=O)CNC(=O)[C@H](CO)NC(C)=O)cc2C2(CCOCC2)C1=O ZINC001186598585 1074292663 /nfs/dbraw/zinc/29/26/63/1074292663.db2.gz GULZOYNCNDPXLK-KRWDZBQOSA-N 0 0 444.488 -0.181 20 30 IBEDRN CSCC[C@H](NC=O)C(=O)N[C@H](C(=O)n1c(N)c(C#N)c(N)nc1=NC1CC1)C(C)C ZINC001186613519 1074288510 /nfs/dbraw/zinc/28/85/10/1074288510.db2.gz WJLMAICAHFDYGD-KBPBESRZSA-N 0 0 448.553 -0.369 20 30 IBEDRN O=C[C@H](NS(=O)(=O)c1ccc(-c2ccc(Cl)cc2)cc1)[C@@H](O)[C@H](O)[C@H](O)CO ZINC001186624380 1074288869 /nfs/dbraw/zinc/28/88/69/1074288869.db2.gz OQBVMMMUUSVJIJ-BSDSXHPESA-N 0 0 429.878 -0.072 20 30 IBEDRN CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)Nc1nc2ncccc2cc1C#N ZINC001186625377 1074289273 /nfs/dbraw/zinc/28/92/73/1074289273.db2.gz KXMFLFPDHVZAHE-SRVKXCTJSA-N 0 0 425.449 -0.026 20 30 IBEDRN CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCN(c2ccccc2C#N)CC1 ZINC001186625543 1074289195 /nfs/dbraw/zinc/28/91/95/1074289195.db2.gz RNUOPEKFQHUMJN-JYJNAYRXSA-N 0 0 442.520 -0.259 20 30 IBEDRN COC(=O)c1scc(C#N)c1NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(C)=O ZINC001186625591 1074289313 /nfs/dbraw/zinc/28/93/13/1074289313.db2.gz UEIIOYXEZNTFRT-GUBZILKMSA-N 0 0 437.478 -0.121 20 30 IBEDRN CC(=O)Nc1ccc(NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(C)=O)cc1C#N ZINC001186635193 1074297795 /nfs/dbraw/zinc/29/77/95/1074297795.db2.gz IMQCDYCHEMQWFQ-SRVKXCTJSA-N 0 0 430.465 -0.011 20 30 IBEDRN C=CCOC(=O)N[C@@H]1CCCN(C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(C)=O)C1 ZINC001186636837 1074298619 /nfs/dbraw/zinc/29/86/19/1074298619.db2.gz TWLACUGCJOEASL-RZLSGREXSA-N 0 0 439.513 -0.576 20 30 IBEDRN C=CCOC(=O)N[C@H]1CCCN(C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(C)=O)C1 ZINC001186636838 1074298614 /nfs/dbraw/zinc/29/86/14/1074298614.db2.gz TWLACUGCJOEASL-YXWQFLTLSA-N 0 0 439.513 -0.576 20 30 IBEDRN COC(=O)c1cc(C#N)cc(NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(C)=O)c1 ZINC001186636855 1074298653 /nfs/dbraw/zinc/29/86/53/1074298653.db2.gz UHRNBZHELQLSPU-SRVKXCTJSA-N 0 0 431.449 -0.183 20 30 IBEDRN CNC(=O)c1cc(C#N)cc(C)c1NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(C)=O ZINC001186637202 1074298706 /nfs/dbraw/zinc/29/87/06/1074298706.db2.gz ZJXRFQBIXMDWJW-AVGNSLFASA-N 0 0 444.492 -0.301 20 30 IBEDRN CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NCCCOc1ccccc1C#N ZINC001186638569 1074299125 /nfs/dbraw/zinc/29/91/25/1074299125.db2.gz DJISABMLPAZWLK-KKUMJFAQSA-N 0 0 431.493 -0.023 20 30 IBEDRN C=CCN1CCN(C(=O)CC[C@@H](NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C(N)=O)CC1 ZINC001186641884 1074300244 /nfs/dbraw/zinc/30/02/44/1074300244.db2.gz LTCZDLXRLQGWTA-LSDHHAIUSA-N 0 0 425.530 -0.020 20 30 IBEDRN C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CCC(=O)N1CCN(CCC#N)CC1)C(N)=O ZINC001186642500 1074300592 /nfs/dbraw/zinc/30/05/92/1074300592.db2.gz PMDCECJLVQOCJR-LSDHHAIUSA-N 0 0 438.529 -0.292 20 30 IBEDRN C=C(C)C(=O)NCCCNC(=O)CC[C@@H](NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C(N)=O ZINC001186648633 1074300933 /nfs/dbraw/zinc/30/09/33/1074300933.db2.gz BOABTMLCUCJMNO-UONOGXRCSA-N 0 0 441.529 -0.152 20 30 IBEDRN C=C(C)C(=O)OCCNC(=O)CC[C@@H](NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C(N)=O ZINC001186649540 1074301964 /nfs/dbraw/zinc/30/19/64/1074301964.db2.gz PFVHBVYCNNNVOL-QWHCGFSZSA-N 0 0 428.486 -0.115 20 30 IBEDRN CCOC(=O)[C@@H](C#N)NC(=O)CC[C@@H](NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C(N)=O ZINC001186650438 1074301834 /nfs/dbraw/zinc/30/18/34/1074301834.db2.gz XABIYYPCLXSXJP-QJPTWQEYSA-N 0 0 427.458 -0.779 20 30 IBEDRN CCOC(=O)[C@H](C#N)NC(=O)CC[C@@H](NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C(N)=O ZINC001186650439 1074302228 /nfs/dbraw/zinc/30/22/28/1074302228.db2.gz XABIYYPCLXSXJP-TUAOUCFPSA-N 0 0 427.458 -0.779 20 30 IBEDRN COC(=O)[C@H](CS)NC(=O)CC[C@@H](NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C(N)=O ZINC001186650514 1074302241 /nfs/dbraw/zinc/30/22/41/1074302241.db2.gz XZUCHUMPDLZDQK-AXFHLTTASA-N 0 0 434.515 -0.763 20 30 IBEDRN C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CCC(=O)NC1(C#N)CCOCC1)C(N)=O ZINC001186651768 1074302615 /nfs/dbraw/zinc/30/26/15/1074302615.db2.gz ZFVQEUNUVCAVRG-QWHCGFSZSA-N 0 0 425.486 -0.161 20 30 IBEDRN C#Cc1cnc(NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)[C@@H]2CCCN2C(C)=O)c(C#C)n1 ZINC001186662898 1074303548 /nfs/dbraw/zinc/30/35/48/1074303548.db2.gz BGPZEUCHIJLYMI-ROUUACIJSA-N 0 0 436.472 -0.504 20 30 IBEDRN O=C[C@H](NS(=O)(=O)c1ccc(OCc2ccccc2)cc1)[C@@H](O)[C@H](O)[C@H](O)CO ZINC001186664978 1074305241 /nfs/dbraw/zinc/30/52/41/1074305241.db2.gz ACZAYUCNGSXODU-WJFTUGDTSA-N 0 0 425.459 -0.814 20 30 IBEDRN CC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CCN(CCC#N)CC1 ZINC001186666397 1074294413 /nfs/dbraw/zinc/29/44/13/1074294413.db2.gz DADZROYKGVWDPN-ROUUACIJSA-N 0 0 432.525 -0.838 20 30 IBEDRN C=C(C)C(=O)NCCCNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCCN1C(C)=O ZINC001186669492 1074295912 /nfs/dbraw/zinc/29/59/12/1074295912.db2.gz JRRRFKCIJZMWJP-IRXDYDNUSA-N 0 0 435.525 -0.697 20 30 IBEDRN CC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N=C(NC#N)c1ccncc1 ZINC001186669843 1074295849 /nfs/dbraw/zinc/29/58/49/1074295849.db2.gz VVNSDTGSSQLRMM-IRXDYDNUSA-N 0 0 439.476 -0.456 20 30 IBEDRN CC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N(O)C(=N)c1ccccc1N ZINC001186670017 1074295790 /nfs/dbraw/zinc/29/57/90/1074295790.db2.gz YPXOQJHUNWVULE-IRXDYDNUSA-N 0 0 444.492 -0.070 20 30 IBEDRN C=CC[C@@](C)(NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCCN1C(C)=O)C(=O)OC ZINC001186670497 1074296622 /nfs/dbraw/zinc/29/66/22/1074296622.db2.gz LCOMVDALMQLSTO-CKJXQJPGSA-N 0 0 436.509 -0.272 20 30 IBEDRN CC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)NCc1ccc(C#N)nc1 ZINC001186670515 1074296644 /nfs/dbraw/zinc/29/66/44/1074296644.db2.gz LNMRYMDUHIMSNM-ROUUACIJSA-N 0 0 426.477 -0.312 20 30 IBEDRN CC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)NCc1ncc(C#N)s1 ZINC001186670516 1074296607 /nfs/dbraw/zinc/29/66/07/1074296607.db2.gz LODLMNSVEIARHF-GJZGRUSLSA-N 0 0 432.506 -0.251 20 30 IBEDRN CC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NO ZINC001186670527 1074296677 /nfs/dbraw/zinc/29/66/77/1074296677.db2.gz LWPCBANGBJBGIO-JYJNAYRXSA-N 0 0 439.513 -0.859 20 30 IBEDRN CC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N=C(NO)c1ccc(C)cn1 ZINC001186670576 1074296618 /nfs/dbraw/zinc/29/66/18/1074296618.db2.gz NUBMZUPKSSKKNO-IRXDYDNUSA-N 0 0 444.492 -0.240 20 30 IBEDRN CC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N/C=C/C(=O)C(F)(F)F ZINC001186670761 1074297094 /nfs/dbraw/zinc/29/70/94/1074297094.db2.gz VCNPHPVZPWZRRA-XKZLPGLHSA-N 0 0 432.399 -0.134 20 30 IBEDRN C=C[C@H]1C[C@]1(NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCCN1C(C)=O)C(=O)OCC ZINC001186670856 1074297057 /nfs/dbraw/zinc/29/70/57/1074297057.db2.gz ZJVDOKIMUFPYBH-ACTFIFLWSA-N 0 0 448.520 -0.272 20 30 IBEDRN C=C[C@H]1C[C@@]1(NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCCN1C(C)=O)C(=O)OCC ZINC001186670857 1074296991 /nfs/dbraw/zinc/29/69/91/1074296991.db2.gz ZJVDOKIMUFPYBH-DOWNOZBLSA-N 0 0 448.520 -0.272 20 30 IBEDRN C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCCN1C(C)=O)C(=O)OCC ZINC001186670858 1074296998 /nfs/dbraw/zinc/29/69/98/1074296998.db2.gz ZJVDOKIMUFPYBH-TXXWUTRGSA-N 0 0 448.520 -0.272 20 30 IBEDRN C=C[C@@H]1C[C@@]1(NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCCN1C(C)=O)C(=O)OCC ZINC001186670859 1074297072 /nfs/dbraw/zinc/29/70/72/1074297072.db2.gz ZJVDOKIMUFPYBH-VLMPBXDWSA-N 0 0 448.520 -0.272 20 30 IBEDRN N#CCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O ZINC001186693762 1074305056 /nfs/dbraw/zinc/30/50/56/1074305056.db2.gz QXJXGDXOIRSXHR-OALUTQOASA-N 0 0 435.484 -0.043 20 30 IBEDRN C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc(OCC(=O)NC3CC3)cc2)CC1 ZINC001187353454 1074310590 /nfs/dbraw/zinc/31/05/90/1074310590.db2.gz LPQFJEOSHYPAAP-UHFFFAOYSA-N 0 0 448.545 -0.210 20 30 IBEDRN CS(=O)(=O)c1ccc(-n2ncc(C#N)c2NC(=O)CNC(=O)[C@@H]2CCC(=O)N2)cc1 ZINC001187513130 1074311058 /nfs/dbraw/zinc/31/10/58/1074311058.db2.gz JPMPCXFROVBGKO-AWEZNQCLSA-N 0 0 430.446 -0.519 20 30 IBEDRN N#Cc1cccc(N2CCOC[C@]3(CCCN(C(=O)CNC(=O)[C@@H]4CCC(=O)N4)C3)C2)n1 ZINC001187513869 1074311412 /nfs/dbraw/zinc/31/14/12/1074311412.db2.gz WDKWFCNCPINTBM-HTAPYJJXSA-N 0 0 440.504 -0.207 20 30 IBEDRN N#Cc1cccc(N2CCOC[C@@]3(CCCN(C(=O)CNC(=O)[C@@H]4CCC(=O)N4)C3)C2)n1 ZINC001187513870 1074311344 /nfs/dbraw/zinc/31/13/44/1074311344.db2.gz WDKWFCNCPINTBM-JTSKRJEESA-N 0 0 440.504 -0.207 20 30 IBEDRN COCCOc1cc(C#N)c(NC(=O)CNC(=O)[C@@H]2CCC(=O)N2)cc1OCCOC ZINC001187520758 1074312697 /nfs/dbraw/zinc/31/26/97/1074312697.db2.gz IKRLARIWRYRZMX-AWEZNQCLSA-N 0 0 434.449 -0.058 20 30 IBEDRN N#Cc1c(N)nc(=NC2CC2)n(C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCC(=O)N2)c1N ZINC001187527431 1074313049 /nfs/dbraw/zinc/31/30/49/1074313049.db2.gz JVYPPDPNLFTTGN-HOTGVXAUSA-N 0 0 448.487 -0.371 20 30 IBEDRN COc1ccccc1Oc1ccc(S(=O)(=O)N[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO)cc1 ZINC001187838280 1074314750 /nfs/dbraw/zinc/31/47/50/1074314750.db2.gz QVZFDRZOJBZJDV-OSGQAZFXSA-N 0 0 441.458 -0.592 20 30 IBEDRN N#Cc1cc(F)c(S(=O)(=O)N2CCN3C(=O)C(=O)NC[C@@H]3C2)cc1Br ZINC001188055214 1074316221 /nfs/dbraw/zinc/31/62/21/1074316221.db2.gz OTJCKEHBSPFLIH-SECBINFHSA-N 0 0 431.243 -0.209 20 30 IBEDRN N#Cc1cc(F)c(S(=O)(=O)N2CCN3C(=O)C(=O)NC[C@H]3C2)cc1Br ZINC001188055221 1074316231 /nfs/dbraw/zinc/31/62/31/1074316231.db2.gz OTJCKEHBSPFLIH-VIFPVBQESA-N 0 0 431.243 -0.209 20 30 IBEDRN C[C@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001188222029 1074317457 /nfs/dbraw/zinc/31/74/57/1074317457.db2.gz GOABJHMXZHNDES-KBPBESRZSA-N 0 0 428.540 -0.530 20 30 IBEDRN C[C@@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001188222050 1074317494 /nfs/dbraw/zinc/31/74/94/1074317494.db2.gz GOABJHMXZHNDES-KGLIPLIRSA-N 0 0 428.540 -0.530 20 30 IBEDRN C[C@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001188222051 1074317472 /nfs/dbraw/zinc/31/74/72/1074317472.db2.gz GOABJHMXZHNDES-UONOGXRCSA-N 0 0 428.540 -0.530 20 30 IBEDRN C[C@@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001188222052 1074317408 /nfs/dbraw/zinc/31/74/08/1074317408.db2.gz GOABJHMXZHNDES-ZIAGYGMSSA-N 0 0 428.540 -0.530 20 30 IBEDRN COC(=O)CCS(=O)(=O)N1CCOC[C@@]2(CN(c3ccc(C#N)cc3)C(=O)CO2)C1 ZINC001188362285 1074317787 /nfs/dbraw/zinc/31/77/87/1074317787.db2.gz BKHDCQHIBXSCCI-IBGZPJMESA-N 0 0 437.474 -0.115 20 30 IBEDRN COC(=O)CCS(=O)(=O)N1CCOC[C@]2(CN(c3ccc(C#N)cc3)C(=O)CO2)C1 ZINC001188362294 1074317792 /nfs/dbraw/zinc/31/77/92/1074317792.db2.gz BKHDCQHIBXSCCI-LJQANCHMSA-N 0 0 437.474 -0.115 20 30 IBEDRN CCn1c2ccc(S(=O)(=O)N(C)C)cc2n(CC(=O)NC2(C#N)CCC2)c(=O)c1=O ZINC001188366557 1074318111 /nfs/dbraw/zinc/31/81/11/1074318111.db2.gz ZDMDSLJNOQAFNF-UHFFFAOYSA-N 0 0 433.490 -0.004 20 30 IBEDRN C=CCn1c(=O)n(CC=C)c(=O)n(Cc2c(I)cnn2C)c1=O ZINC001188422505 1074318561 /nfs/dbraw/zinc/31/85/61/1074318561.db2.gz AGCKXXPJHLBCNY-UHFFFAOYSA-N 0 0 429.218 -0.070 20 30 IBEDRN O=C[C@H](NS(=O)(=O)c1ccc(Br)c(Cl)c1)[C@@H](O)[C@H](O)[C@H](O)CO ZINC001189174632 1074322913 /nfs/dbraw/zinc/32/29/13/1074322913.db2.gz LUYYKYRTRSLOLV-IRCOFANPSA-N 0 0 432.676 -0.977 20 30 IBEDRN Cn1c(C(=O)Nc2c(C#N)cnn2-c2ccc(S(C)(=O)=O)cc2)cc(=O)n(C)c1=O ZINC001189422325 1074324122 /nfs/dbraw/zinc/32/41/22/1074324122.db2.gz LRBMHIKNMNQJOO-UHFFFAOYSA-N 0 0 428.430 -0.203 20 30 IBEDRN COc1cc(S(N)(=O)=O)cc(C(=O)n2c(N)c(C#N)c(N)nc2=NC2CC2)c1OC ZINC001189555235 1074325776 /nfs/dbraw/zinc/32/57/76/1074325776.db2.gz NCZPGCCPUREOBO-UHFFFAOYSA-N 0 0 433.450 -0.665 20 30 IBEDRN COc1cc(S(N)(=O)=O)cc(C(=O)N2CCN(c3nccnc3C#N)CC2)c1OC ZINC001189559550 1074326146 /nfs/dbraw/zinc/32/61/46/1074326146.db2.gz VSUKJZPXGQHWJH-UHFFFAOYSA-N 0 0 432.462 -0.025 20 30 IBEDRN N#Cc1cn(CCO)c(=O)n(CC(=O)NC2CCN(C(=O)C3CCCCC3)CC2)c1=O ZINC001189746054 1074327422 /nfs/dbraw/zinc/32/74/22/1074327422.db2.gz WTIBBAFJZGRAFI-UHFFFAOYSA-N 0 0 431.493 -0.439 20 30 IBEDRN O=C[C@H](NS(=O)(=O)c1cc(Br)ccc1Cl)[C@@H](O)[C@H](O)[C@H](O)CO ZINC001189766158 1074327238 /nfs/dbraw/zinc/32/72/38/1074327238.db2.gz VPOIRDIXTSZNSY-LUTQBAROSA-N 0 0 432.676 -0.977 20 30 IBEDRN Cc1c(C#N)c(=O)n(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c(=O)n1C ZINC001189868856 1074327774 /nfs/dbraw/zinc/32/77/74/1074327774.db2.gz GGRIXIYYOKLNRO-UHFFFAOYSA-N 0 0 449.464 -0.601 20 30 IBEDRN CS(=O)(=O)N1CC[C@H](CS(=O)(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 ZINC001189895660 1074328412 /nfs/dbraw/zinc/32/84/12/1074328412.db2.gz ALQONAJXUHXXPI-DLBZAZTESA-N 0 0 440.547 -0.140 20 30 IBEDRN CS(=O)(=O)N1CC[C@@H](CS(=O)(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 ZINC001189895661 1074328436 /nfs/dbraw/zinc/32/84/36/1074328436.db2.gz ALQONAJXUHXXPI-IAGOWNOFSA-N 0 0 440.547 -0.140 20 30 IBEDRN CS(=O)(=O)N1CC[C@H](CS(=O)(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 ZINC001189895662 1074328369 /nfs/dbraw/zinc/32/83/69/1074328369.db2.gz ALQONAJXUHXXPI-IRXDYDNUSA-N 0 0 440.547 -0.140 20 30 IBEDRN CS(=O)(=O)N1CC[C@@H](CS(=O)(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 ZINC001189895663 1074328476 /nfs/dbraw/zinc/32/84/76/1074328476.db2.gz ALQONAJXUHXXPI-SJORKVTESA-N 0 0 440.547 -0.140 20 30 IBEDRN CS(=O)(=O)c1cnn(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 ZINC001190185059 1074329170 /nfs/dbraw/zinc/32/91/70/1074329170.db2.gz DQLLJKCBPGRYCD-UHFFFAOYSA-N 0 0 437.503 -0.309 20 30 IBEDRN CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)c1ccc(C#N)cn1)C(N)=O ZINC001190601013 1074332058 /nfs/dbraw/zinc/33/20/58/1074332058.db2.gz ZBSQZYKJIAOHNK-HOCLYGCPSA-N 0 0 448.549 -0.063 20 30 IBEDRN COC(=O)[C@H](CCCCNS(=O)(=O)c1cc(C#N)ccc1F)NC(=O)CNC(C)=O ZINC001190680732 1074332322 /nfs/dbraw/zinc/33/23/22/1074332322.db2.gz FHGCUWTUDRKSOC-HNNXBMFYSA-N 0 0 442.469 -0.060 20 30 IBEDRN COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1cc(C#N)ccc1F ZINC001190681373 1074332382 /nfs/dbraw/zinc/33/23/82/1074332382.db2.gz JHGPTHLPLNRKKE-DCAQKATOSA-N 0 0 428.442 -0.453 20 30 IBEDRN N#Cc1ccc(F)c(S(=O)(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)c1 ZINC001190681967 1074332362 /nfs/dbraw/zinc/33/23/62/1074332362.db2.gz RMOOCMZMTCFZED-HOTGVXAUSA-N 0 0 434.449 -0.451 20 30 IBEDRN C=CCC1(S(=O)(=O)Nc2[nH]c(=S)nc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)CC1 ZINC001190777249 1074333188 /nfs/dbraw/zinc/33/31/88/1074333188.db2.gz XCVDXKIPHXTPSC-IDTAVKCVSA-N 0 0 443.507 -0.423 20 30 IBEDRN C=CCC1(S(=O)(=O)N[C@H]2[C@@H](O)[C@H](n3cnc4c3ncnc4N(C)C)O[C@@H]2CO)CC1 ZINC001190834465 1074333125 /nfs/dbraw/zinc/33/31/25/1074333125.db2.gz GXXGAKNRNNYHQO-CTWCOEIASA-N 0 0 438.510 -0.460 20 30 IBEDRN C=CCC1(S(=O)(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](C(N)=O)[C@@H](C)O)CC1 ZINC001190847208 1074333182 /nfs/dbraw/zinc/33/31/82/1074333182.db2.gz WNVXQKFGRMIRBC-KCXAZCMYSA-N 0 0 425.507 -0.318 20 30 IBEDRN C#Cc1cccc(NC(=O)NC(=O)CN2CCN(C(=O)CN3C(=O)CCC3=O)CC2)c1 ZINC001190884486 1074333703 /nfs/dbraw/zinc/33/37/03/1074333703.db2.gz WCEQSTOCFOSBRN-UHFFFAOYSA-N 0 0 425.445 -0.391 20 30 IBEDRN N#Cc1ccc(Cl)c(S(=O)(=O)N[C@H]2[C@H](n3ccc(=O)[nH]c3=O)O[C@H](CO)[C@H]2O)c1 ZINC001190998031 1074334776 /nfs/dbraw/zinc/33/47/76/1074334776.db2.gz AHRJSXWCFVPJIW-JUDXGUMMSA-N 0 0 442.837 -0.928 20 30 IBEDRN Cc1cn(CC(=O)NCCNS(=O)(=O)c2cc(C#N)ccc2Cl)c(=O)[nH]c1=O ZINC001190999378 1074334128 /nfs/dbraw/zinc/33/41/28/1074334128.db2.gz PKZGIPHEDSLXRJ-UHFFFAOYSA-N 0 0 425.854 -0.123 20 30 IBEDRN N#Cc1ccc(Cl)c(S(=O)(=O)NCC(=O)N2CCC[C@H]2C(=O)NCC(N)=O)c1 ZINC001191005310 1074334096 /nfs/dbraw/zinc/33/40/96/1074334096.db2.gz LMAIDBSUEIQIMB-LBPRGKRZSA-N 0 0 427.870 -0.918 20 30 IBEDRN C#CC[C@H](NS(=O)(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1)C(=O)OC ZINC001191202732 1074335202 /nfs/dbraw/zinc/33/52/02/1074335202.db2.gz VOOHDQLDLJCEAK-HNNXBMFYSA-N 0 0 430.504 -0.141 20 30 IBEDRN C#CC[C@@H](NS(=O)(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1)C(=O)OC ZINC001191202733 1074335306 /nfs/dbraw/zinc/33/53/06/1074335306.db2.gz VOOHDQLDLJCEAK-OAHLLOKOSA-N 0 0 430.504 -0.141 20 30 IBEDRN CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](NC(=O)NC1CC1)C(=O)OCC ZINC001191506183 1074336385 /nfs/dbraw/zinc/33/63/85/1074336385.db2.gz PDFLXLLNTMHCBW-STQMWFEESA-N 0 0 446.526 -0.746 20 30 IBEDRN CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)c1ccnc(C#N)c1)C(N)=O ZINC001191559905 1074337163 /nfs/dbraw/zinc/33/71/63/1074337163.db2.gz YSEXWMYQNMVRLB-HOTGVXAUSA-N 0 0 448.549 -0.063 20 30 IBEDRN N#Cc1ccsc1NC(=O)CN1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC001191753098 1074337786 /nfs/dbraw/zinc/33/77/86/1074337786.db2.gz DGRCXPMLKUNYIK-AWEZNQCLSA-N 0 0 425.536 -0.521 20 30 IBEDRN N#Cc1ccsc1NC(=O)CN1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001191753099 1074337889 /nfs/dbraw/zinc/33/78/89/1074337889.db2.gz DGRCXPMLKUNYIK-CQSZACIVSA-N 0 0 425.536 -0.521 20 30 IBEDRN N#Cc1ccccc1OC[C@@H](O)CN1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001191753588 1074338194 /nfs/dbraw/zinc/33/81/94/1074338194.db2.gz OSSIIYRLVZUVON-MSOLQXFVSA-N 0 0 436.534 -0.781 20 30 IBEDRN N#Cc1ccccc1OC[C@H](O)CN1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001191753589 1074338102 /nfs/dbraw/zinc/33/81/02/1074338102.db2.gz OSSIIYRLVZUVON-QZTJIDSGSA-N 0 0 436.534 -0.781 20 30 IBEDRN N#Cc1ccccc1OC[C@@H](O)CN1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC001191753590 1074338245 /nfs/dbraw/zinc/33/82/45/1074338245.db2.gz OSSIIYRLVZUVON-ROUUACIJSA-N 0 0 436.534 -0.781 20 30 IBEDRN N#Cc1ccccc1OC[C@H](O)CN1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC001191753591 1074338184 /nfs/dbraw/zinc/33/81/84/1074338184.db2.gz OSSIIYRLVZUVON-ZWKOTPCHSA-N 0 0 436.534 -0.781 20 30 IBEDRN CS(=O)(=O)N1CCN(S(=O)(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)CC1 ZINC001191952080 1074339217 /nfs/dbraw/zinc/33/92/17/1074339217.db2.gz IMXODLNRKFEPHK-UHFFFAOYSA-N 0 0 441.579 -0.066 20 30 IBEDRN Cc1ncc(C(=O)N2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@H]3C(=O)N2CCOCC2)cc1C#N ZINC001192285375 1074340968 /nfs/dbraw/zinc/34/09/68/1074340968.db2.gz NSPRWRSOAGYGKF-KZNAEPCWSA-N 0 0 432.502 -0.004 20 30 IBEDRN Cc1ncc(C(=O)N2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@@H]3C(=O)N2CCOCC2)cc1C#N ZINC001192285377 1074341293 /nfs/dbraw/zinc/34/12/93/1074341293.db2.gz NSPRWRSOAGYGKF-RCCFBDPRSA-N 0 0 432.502 -0.004 20 30 IBEDRN Cc1ncc(C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)cc1C#N ZINC001192287963 1074341430 /nfs/dbraw/zinc/34/14/30/1074341430.db2.gz AJEUTBVKELRGPN-IRXDYDNUSA-N 0 0 428.493 -0.001 20 30 IBEDRN N#CCS(=O)(=O)N1CCC[C@]2(C(=O)N3CCOCC3)CN(c3ncccn3)C[C@@H]2C1 ZINC001192953607 1074343837 /nfs/dbraw/zinc/34/38/37/1074343837.db2.gz NXTZOMJRJXLFJH-APWZRJJASA-N 0 0 434.522 -0.293 20 30 IBEDRN CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)c1cnccc1C#N)C(N)=O ZINC001192981411 1074344233 /nfs/dbraw/zinc/34/42/33/1074344233.db2.gz KGSGLBZPOYDZDU-HOTGVXAUSA-N 0 0 448.549 -0.063 20 30 IBEDRN Cn1c(=O)cc(N2CCC[C@@H](NS(=O)(=O)CC#N)C2)n(Cc2ccccc2C#N)c1=O ZINC001192996514 1074344123 /nfs/dbraw/zinc/34/41/23/1074344123.db2.gz VMAVOXJUSQEUSG-QGZVFWFLSA-N 0 0 442.501 -0.121 20 30 IBEDRN COCCOCCOCCOCCOCCOCCOCCNS(=O)(=O)CC#N ZINC001193004783 1074344288 /nfs/dbraw/zinc/34/42/88/1074344288.db2.gz DAGPOCTYQDGPTB-UHFFFAOYSA-N 0 0 442.531 -0.825 20 30 IBEDRN N#CCS(=O)(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O ZINC001193008152 1074344168 /nfs/dbraw/zinc/34/41/68/1074344168.db2.gz BAFPNSCZGDWWIX-ROUUACIJSA-N 0 0 446.485 -0.335 20 30 IBEDRN C[C@H](C#N)S(=O)(=O)N1CC[C@H]2N(S(C)(=O)=O)CC[C@@]2(C(=O)N2CCOCC2)CC1 ZINC001193117471 1074345160 /nfs/dbraw/zinc/34/51/60/1074345160.db2.gz BMZIBLBSMMAPCI-INMHGKMJSA-N 0 0 448.567 -0.797 20 30 IBEDRN C[C@@H](C#N)S(=O)(=O)N1CC[C@H]2N(S(C)(=O)=O)CC[C@@]2(C(=O)N2CCOCC2)CC1 ZINC001193117475 1074345108 /nfs/dbraw/zinc/34/51/08/1074345108.db2.gz BMZIBLBSMMAPCI-UXLLHSPISA-N 0 0 448.567 -0.797 20 30 IBEDRN C[C@@H](C#N)S(=O)(=O)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001193118619 1074345188 /nfs/dbraw/zinc/34/51/88/1074345188.db2.gz SKIYQEWEKIABEE-FPMFFAJLSA-N 0 0 427.508 -0.749 20 30 IBEDRN C[C@H](C#N)S(=O)(=O)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001193118621 1074345415 /nfs/dbraw/zinc/34/54/15/1074345415.db2.gz SKIYQEWEKIABEE-KWCYVHTRSA-N 0 0 427.508 -0.749 20 30 IBEDRN C[C@H](C#N)S(=O)(=O)N1CCN(c2ccc(S(=O)(=O)N(C)C)c3nonc32)CC1 ZINC001193138965 1074345507 /nfs/dbraw/zinc/34/55/07/1074345507.db2.gz VQKSBMIFZUOSOB-LLVKDONJSA-N 0 0 428.496 -0.163 20 30 IBEDRN C[C@@H](C#N)S(=O)(=O)N1CCN(c2ccc(S(=O)(=O)N(C)C)c3nonc32)CC1 ZINC001193138966 1074345598 /nfs/dbraw/zinc/34/55/98/1074345598.db2.gz VQKSBMIFZUOSOB-NSHDSACASA-N 0 0 428.496 -0.163 20 30 IBEDRN C[C@H](C#N)S(=O)(=O)N[C@H]1CCN(c2ccc(S(=O)(=O)N(C)C)c3nonc32)C1 ZINC001193182654 1074346752 /nfs/dbraw/zinc/34/67/52/1074346752.db2.gz QVJDLAPULYHSQV-MNOVXSKESA-N 0 0 428.496 -0.117 20 30 IBEDRN C[C@@H](C#N)S(=O)(=O)N[C@H]1CCN(c2ccc(S(=O)(=O)N(C)C)c3nonc32)C1 ZINC001193182655 1074346767 /nfs/dbraw/zinc/34/67/67/1074346767.db2.gz QVJDLAPULYHSQV-QWRGUYRKSA-N 0 0 428.496 -0.117 20 30 IBEDRN CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNS(=O)(=O)[C@H](C)C#N)C(N)=O ZINC001193186548 1074346791 /nfs/dbraw/zinc/34/67/91/1074346791.db2.gz ZEYBUBSNNZCFMH-AGIUHOORSA-N 0 0 435.572 -0.928 20 30 IBEDRN CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNS(=O)(=O)[C@@H](C)C#N)C(N)=O ZINC001193186549 1074346634 /nfs/dbraw/zinc/34/66/34/1074346634.db2.gz ZEYBUBSNNZCFMH-AVGNSLFASA-N 0 0 435.572 -0.928 20 30 IBEDRN CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](NC(=O)OC(C)C)C(=O)OCC ZINC001193521720 1074349836 /nfs/dbraw/zinc/34/98/36/1074349836.db2.gz QCOJCCPEZCNPOT-STQMWFEESA-N 0 0 449.526 -0.073 20 30 IBEDRN COc1ccc(C#N)c(S(=O)(=O)N2CCn3c(COCC(=O)N(C)C)nnc3C2)c1 ZINC001193668550 1074350839 /nfs/dbraw/zinc/35/08/39/1074350839.db2.gz IBNVJQXFGRBCGH-UHFFFAOYSA-N 0 0 434.478 -0.032 20 30 IBEDRN COc1ccc(C#N)c(S(=O)(=O)N[C@H]2C[C@H](n3cc(C)c(=O)[nH]c3=O)O[C@@H]2CO)c1 ZINC001193707201 1074351232 /nfs/dbraw/zinc/35/12/32/1074351232.db2.gz LMLAWRVDKCLGBA-SQWLQELKSA-N 0 0 436.446 -0.236 20 30 IBEDRN COc1ccc(C#N)c(S(=O)(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCC(N)=O)c1 ZINC001193715891 1074351786 /nfs/dbraw/zinc/35/17/86/1074351786.db2.gz AQLXIVNIZINCJT-INIZCTEOSA-N 0 0 432.458 -0.236 20 30 IBEDRN COc1ccc(C#N)c(S(=O)(=O)NCC(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)c1 ZINC001193715982 1074351851 /nfs/dbraw/zinc/35/18/51/1074351851.db2.gz CPPQGJWAAGYDGD-INIZCTEOSA-N 0 0 432.458 -0.236 20 30 IBEDRN COc1ccc(C#N)c(S(=O)(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)c1 ZINC001193716080 1074351842 /nfs/dbraw/zinc/35/18/42/1074351842.db2.gz FZDPVFNTVONEPP-IRXDYDNUSA-N 0 0 446.485 -0.581 20 30 IBEDRN COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1cc(OC)ccc1C#N ZINC001193716284 1074351830 /nfs/dbraw/zinc/35/18/30/1074351830.db2.gz KTZDMKJITJUEHL-SRVKXCTJSA-N 0 0 440.478 -0.584 20 30 IBEDRN C[NH+]1CCN(c2cncc(C(=O)N(CCC[NH3+])C[C@H](S)OP(=O)([O-])[O-])c2)CC1 ZINC001193953846 1074353186 /nfs/dbraw/zinc/35/31/86/1074353186.db2.gz ABCOSQRMKXSFGO-HNNXBMFYSA-N 0 0 433.471 -0.010 20 30 IBEDRN C[NH+]1CCN(c2cncc(C(=O)N(CCC[NH3+])C[C@@H](S)OP(=O)([O-])[O-])c2)CC1 ZINC001193953847 1074353102 /nfs/dbraw/zinc/35/31/02/1074353102.db2.gz ABCOSQRMKXSFGO-OAHLLOKOSA-N 0 0 433.471 -0.010 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(C)=O)CC1 ZINC001194096308 1074354092 /nfs/dbraw/zinc/35/40/92/1074354092.db2.gz FZMXLOJMCNXZOB-AWEZNQCLSA-N 0 0 440.547 -0.242 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(C)=O)CC1 ZINC001194096309 1074354227 /nfs/dbraw/zinc/35/42/27/1074354227.db2.gz FZMXLOJMCNXZOB-CQSZACIVSA-N 0 0 440.547 -0.242 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(S(C)(=O)=O)c(F)c2)CC1 ZINC001194096446 1074354703 /nfs/dbraw/zinc/35/47/03/1074354703.db2.gz HNSVPBDQYIOSKP-UHFFFAOYSA-N 0 0 439.512 -0.997 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2cccc(CC(=O)OCC)c2)CC1 ZINC001194096614 1074354741 /nfs/dbraw/zinc/35/47/41/1074354741.db2.gz LBANWMXOCSRPJW-UHFFFAOYSA-N 0 0 429.520 -0.434 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)OC)c2)CC1 ZINC001194096714 1074354715 /nfs/dbraw/zinc/35/47/15/1074354715.db2.gz MERHQMMZHYAGKK-UHFFFAOYSA-N 0 0 435.911 -0.100 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C3(C(=O)OC)CC3)cc2)CC1 ZINC001194096767 1074354673 /nfs/dbraw/zinc/35/46/73/1074354673.db2.gz MVOIJZYZQBZIPB-UHFFFAOYSA-N 0 0 441.531 -0.335 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(S(=O)(=O)CCC(=O)OCc2ccccc2)CC1 ZINC001194096812 1074354708 /nfs/dbraw/zinc/35/47/08/1074354708.db2.gz NNVXFJOZOQOFTD-UHFFFAOYSA-N 0 0 429.520 -0.465 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2cc3c(cc2Cl)OCCO3)CC1 ZINC001194097229 1074354644 /nfs/dbraw/zinc/35/46/44/1074354644.db2.gz OZALZWDYTFYYSQ-UHFFFAOYSA-N 0 0 435.911 -0.115 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C(C)(C)C(=O)OC)cc2)CC1 ZINC001194097319 1074354617 /nfs/dbraw/zinc/35/46/17/1074354617.db2.gz QIDDUISXGBEKBV-UHFFFAOYSA-N 0 0 443.547 -0.089 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2cc(C(=O)NC)cc(Cl)c2C)CC1 ZINC001194097320 1074354586 /nfs/dbraw/zinc/35/45/86/1074354586.db2.gz QIIBMRMVTLGTRP-UHFFFAOYSA-N 0 0 448.954 -0.218 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)OC)c(OC)c2)CC1 ZINC001194097326 1074354665 /nfs/dbraw/zinc/35/46/65/1074354665.db2.gz QOHWWCVTMUUIPL-UHFFFAOYSA-N 0 0 431.492 -0.744 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2cc(C(=O)OC)cc(C)c2F)CC1 ZINC001194098390 1074354681 /nfs/dbraw/zinc/35/46/81/1074354681.db2.gz VNTHNHGDHOXPFF-UHFFFAOYSA-N 0 0 433.483 -0.305 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)oc(=O)n3CC)CC1 ZINC001194098757 1074354753 /nfs/dbraw/zinc/35/47/53/1074354753.db2.gz YOIQLRNYXNINLR-UHFFFAOYSA-N 0 0 428.492 -0.612 20 30 IBEDRN CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)c1cncc(C#N)c1)C(N)=O ZINC001194121418 1074354182 /nfs/dbraw/zinc/35/41/82/1074354182.db2.gz OPRHEDFAXYWGBI-HOTGVXAUSA-N 0 0 448.549 -0.063 20 30 IBEDRN CCCOC(=O)N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)OCC)C(=O)OCC ZINC001194150313 1074354624 /nfs/dbraw/zinc/35/46/24/1074354624.db2.gz RTJUAZXXGVDDEE-STQMWFEESA-N 0 0 449.526 -0.072 20 30 IBEDRN C=CCOC(=O)Nc1ncnc2c1nc(Br)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O ZINC001194289781 1074355892 /nfs/dbraw/zinc/35/58/92/1074355892.db2.gz NHZSUFUSOHFKJP-WOUKDFQISA-N 0 0 430.215 -0.065 20 30 IBEDRN C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@]2(C(=O)OC)C[C@@H]2S(C)(=O)=O)c1 ZINC001194302458 1074355623 /nfs/dbraw/zinc/35/56/23/1074355623.db2.gz JNQIXWDNDXTDPA-WMLDXEAASA-N 0 0 430.504 -0.143 20 30 IBEDRN C=CCOC(=O)N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)OCC)C(=O)OCC ZINC001194346848 1074356858 /nfs/dbraw/zinc/35/68/58/1074356858.db2.gz LKTNXWRPBLDKIF-STQMWFEESA-N 0 0 447.510 -0.296 20 30 IBEDRN Cc1nsc(N2CCN(CC(=O)NC3CCN(S(C)(=O)=O)CC3)CC2)c1C#N ZINC001194773209 1074360247 /nfs/dbraw/zinc/36/02/47/1074360247.db2.gz XGBGIWRUDCUXBV-UHFFFAOYSA-N 0 0 426.568 -0.015 20 30 IBEDRN Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2NC(=O)c2ccc(C#CBr)cc2)c(=O)n1 ZINC001194827558 1074361140 /nfs/dbraw/zinc/36/11/40/1074361140.db2.gz OKBQNSIIXKGBTJ-DNNBLBMLSA-N 0 0 449.261 -0.179 20 30 IBEDRN COCCN(CC#N)CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001194891326 1074362281 /nfs/dbraw/zinc/36/22/81/1074362281.db2.gz VFOLSFUNHYMQPD-UHFFFAOYSA-N 0 0 425.467 -0.100 20 30 IBEDRN CS(=O)(=O)N1CCN(S(=O)(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)CC1 ZINC001195135669 1074364023 /nfs/dbraw/zinc/36/40/23/1074364023.db2.gz AHNYNTJANKPVSF-HNNXBMFYSA-N 0 0 428.540 -0.348 20 30 IBEDRN CS(=O)(=O)N1CCN(S(=O)(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)CC1 ZINC001195135670 1074364090 /nfs/dbraw/zinc/36/40/90/1074364090.db2.gz AHNYNTJANKPVSF-OAHLLOKOSA-N 0 0 428.540 -0.348 20 30 IBEDRN COc1ccc(CNC(C)=O)cc1S(=O)(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 ZINC001195261373 1074365660 /nfs/dbraw/zinc/36/56/60/1074365660.db2.gz QLHPKSXVIYZHSX-YOEHRIQHSA-N 0 0 427.504 -0.110 20 30 IBEDRN COCCNC(=O)c1cccc(S(=O)(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c1 ZINC001195270686 1074365703 /nfs/dbraw/zinc/36/57/03/1074365703.db2.gz OXCCBMRMKJZKAE-YOEHRIQHSA-N 0 0 427.504 -0.378 20 30 IBEDRN Cn1cc(C(=O)Nc2c(C#N)cnn2-c2ccc(S(C)(=O)=O)cc2)c(=O)n(C)c1=O ZINC001195531798 1074368466 /nfs/dbraw/zinc/36/84/66/1074368466.db2.gz PYYJWCSZWNMZQW-UHFFFAOYSA-N 0 0 428.430 -0.203 20 30 IBEDRN COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 ZINC001195574547 1074370040 /nfs/dbraw/zinc/37/00/40/1074370040.db2.gz DQQRSNQXXMDWLX-XHDPSFHLSA-N 0 0 434.517 -0.342 20 30 IBEDRN CCOC(=O)CS(=O)(=O)N1CCOC[C@@]2(CN(c3ccc(C#N)cc3)C(=O)CO2)C1 ZINC001195948188 1074373746 /nfs/dbraw/zinc/37/37/46/1074373746.db2.gz XHULXZYWPAMKBX-IBGZPJMESA-N 0 0 437.474 -0.115 20 30 IBEDRN CCOC(=O)CS(=O)(=O)N1CCOC[C@]2(CN(c3ccc(C#N)cc3)C(=O)CO2)C1 ZINC001195948192 1074373873 /nfs/dbraw/zinc/37/38/73/1074373873.db2.gz XHULXZYWPAMKBX-LJQANCHMSA-N 0 0 437.474 -0.115 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)CC1 ZINC001196393906 1074377978 /nfs/dbraw/zinc/37/79/78/1074377978.db2.gz ZBGIJGRITIIHAG-UHFFFAOYSA-N 0 0 429.524 -0.446 20 30 IBEDRN C#CC1(O)CCN(CC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC001196429362 1074378178 /nfs/dbraw/zinc/37/81/78/1074378178.db2.gz HKJTXFOWJSQWDL-UHFFFAOYSA-N 0 0 436.490 -0.112 20 30 IBEDRN CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)c1ncccc1C#N)C(N)=O ZINC001196564411 1074379271 /nfs/dbraw/zinc/37/92/71/1074379271.db2.gz QTYZQWIIZGHOFY-GJZGRUSLSA-N 0 0 448.549 -0.063 20 30 IBEDRN N#Cc1ccc(Cl)cc1S(=O)(=O)N[C@H]1[C@H](n2ccc(=O)[nH]c2=O)O[C@H](CO)[C@H]1O ZINC001196703476 1074380055 /nfs/dbraw/zinc/38/00/55/1074380055.db2.gz CSBIPSMIXJIDNB-JUDXGUMMSA-N 0 0 442.837 -0.928 20 30 IBEDRN Cc1cn(CC(=O)NCCNS(=O)(=O)c2cc(Cl)ccc2C#N)c(=O)[nH]c1=O ZINC001196705871 1074380436 /nfs/dbraw/zinc/38/04/36/1074380436.db2.gz UYFQDGHDWSHVSF-UHFFFAOYSA-N 0 0 425.854 -0.123 20 30 IBEDRN N#Cc1ccc(Cl)cc1S(=O)(=O)NCC(=O)N1CCC[C@H]1C(=O)NCC(N)=O ZINC001196713240 1074380107 /nfs/dbraw/zinc/38/01/07/1074380107.db2.gz GFUUNVUXBBDARK-LBPRGKRZSA-N 0 0 427.870 -0.918 20 30 IBEDRN N#Cc1cccc(-c2cc(C(=O)N[C@H]3[C@H](n4ccc(N)nc4=O)O[C@H](CO)[C@H]3O)no2)c1 ZINC001196774243 1074380937 /nfs/dbraw/zinc/38/09/37/1074380937.db2.gz FURKAEQUUCVNSQ-KLICCBINSA-N 0 0 438.400 -0.356 20 30 IBEDRN CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCN(C[C@H]3CCCS3(=O)=O)CC2)CC1 ZINC001196971475 1074381863 /nfs/dbraw/zinc/38/18/63/1074381863.db2.gz CAZJXBYOOZZBOW-MOPGFXCFSA-N 0 0 425.599 -0.126 20 30 IBEDRN CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCN(C[C@@H]3CCCS3(=O)=O)CC2)CC1 ZINC001196971476 1074381942 /nfs/dbraw/zinc/38/19/42/1074381942.db2.gz CAZJXBYOOZZBOW-OALUTQOASA-N 0 0 425.599 -0.126 20 30 IBEDRN CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCN(C[C@@H]3CCCS3(=O)=O)CC2)CC1 ZINC001196971477 1074381949 /nfs/dbraw/zinc/38/19/49/1074381949.db2.gz CAZJXBYOOZZBOW-RBUKOAKNSA-N 0 0 425.599 -0.126 20 30 IBEDRN CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCN(C[C@H]3CCCS3(=O)=O)CC2)CC1 ZINC001196971478 1074381842 /nfs/dbraw/zinc/38/18/42/1074381842.db2.gz CAZJXBYOOZZBOW-RTBURBONSA-N 0 0 425.599 -0.126 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(C)nn2[C@H]2CCS(=O)(=O)C2)CC1 ZINC001197164942 1074383300 /nfs/dbraw/zinc/38/33/00/1074383300.db2.gz DXQYVNLZUAAIJM-AWEZNQCLSA-N 0 0 444.539 -0.832 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(C)nn2[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001197164943 1074383378 /nfs/dbraw/zinc/38/33/78/1074383378.db2.gz DXQYVNLZUAAIJM-CQSZACIVSA-N 0 0 444.539 -0.832 20 30 IBEDRN N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCN3[C@H](CNS3(=O)=O)C2)CC1 ZINC001198059857 1074389852 /nfs/dbraw/zinc/38/98/52/1074389852.db2.gz IXOSEHSWKGLRFQ-MSOLQXFVSA-N 0 0 436.513 -0.631 20 30 IBEDRN N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCN3[C@H](CNS3(=O)=O)C2)CC1 ZINC001198059867 1074389975 /nfs/dbraw/zinc/38/99/75/1074389975.db2.gz IXOSEHSWKGLRFQ-QZTJIDSGSA-N 0 0 436.513 -0.631 20 30 IBEDRN N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCN3[C@@H](CNS3(=O)=O)C2)CC1 ZINC001198059870 1074389984 /nfs/dbraw/zinc/38/99/84/1074389984.db2.gz IXOSEHSWKGLRFQ-ROUUACIJSA-N 0 0 436.513 -0.631 20 30 IBEDRN N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCN3[C@@H](CNS3(=O)=O)C2)CC1 ZINC001198059872 1074390314 /nfs/dbraw/zinc/39/03/14/1074390314.db2.gz IXOSEHSWKGLRFQ-ZWKOTPCHSA-N 0 0 436.513 -0.631 20 30 IBEDRN CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)CN2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)C1=O ZINC001198072039 1074390255 /nfs/dbraw/zinc/39/02/55/1074390255.db2.gz NYUUFBKXVQEKBQ-RYGJVYDSSA-N 0 0 445.501 -0.255 20 30 IBEDRN CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CN2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)C1=O ZINC001198072045 1074390207 /nfs/dbraw/zinc/39/02/07/1074390207.db2.gz NYUUFBKXVQEKBQ-YSSFQJQWSA-N 0 0 445.501 -0.255 20 30 IBEDRN N#Cc1cnc(C(=O)N2C[C@@H]3c4nc(N5CCOCC5)ncc4CS(=O)(=O)[C@@H]3C2)cn1 ZINC001199665184 1074402393 /nfs/dbraw/zinc/40/23/93/1074402393.db2.gz QVWWEKHMTXHSTH-GOEBONIOSA-N 0 0 441.473 -0.489 20 30 IBEDRN CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)c2cnc(C#N)cn2)CC3)C1=O ZINC001199665592 1074402401 /nfs/dbraw/zinc/40/24/01/1074402401.db2.gz SAHNWQKJNZOZRH-IBGZPJMESA-N 0 0 432.506 -0.306 20 30 IBEDRN CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)c2cnc(C#N)cn2)CC3)C1=O ZINC001199665594 1074403197 /nfs/dbraw/zinc/40/31/97/1074403197.db2.gz SAHNWQKJNZOZRH-LJQANCHMSA-N 0 0 432.506 -0.306 20 30 IBEDRN N#Cc1cnc(C(=O)N2C[C@H]3C[C@H]4[C@@](CN(Cc5ccncc5)S4(=O)=O)(C2)O3)cn1 ZINC001199665895 1074403220 /nfs/dbraw/zinc/40/32/20/1074403220.db2.gz VOMLOJYHHASGJO-AYBZRNKSSA-N 0 0 426.458 -0.059 20 30 IBEDRN CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)c1cnc(C#N)cn1)C(N)=O ZINC001199670276 1074403186 /nfs/dbraw/zinc/40/31/86/1074403186.db2.gz KHRVBAMPWDEZEV-KBPBESRZSA-N 0 0 449.537 -0.668 20 30 IBEDRN CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)c1ccc(C#N)[nH]1)C(N)=O ZINC001199684138 1074403161 /nfs/dbraw/zinc/40/31/61/1074403161.db2.gz RDDDTBRDLIOEJJ-ZFWWWQNUSA-N 0 0 436.538 -0.130 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(S(=O)(=O)NC)ccc2C)CC1 ZINC001199994816 1074406568 /nfs/dbraw/zinc/40/65/68/1074406568.db2.gz QLQAREOJXIXSAA-UHFFFAOYSA-N 0 0 429.524 -0.480 20 30 IBEDRN C=CCNC(=S)Nc1ncnc2c1nc(Br)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O ZINC001200275086 1074338428 /nfs/dbraw/zinc/33/84/28/1074338428.db2.gz AFZCINPFJNCVKS-WOUKDFQISA-N 0 0 445.299 -0.327 20 30 IBEDRN CCCOc1ccc(C(C)(C)C)cc1S(=O)(=O)N[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO ZINC001200308104 1074338499 /nfs/dbraw/zinc/33/84/99/1074338499.db2.gz DRSLDVGOWDAOKI-MJSCVDMRSA-N 0 0 433.523 -0.306 20 30 IBEDRN N#Cc1ccc(NC(=S)NCC(=O)NCC(=O)NCC(N)=O)c(Br)c1 ZINC001201137070 1074407805 /nfs/dbraw/zinc/40/78/05/1074407805.db2.gz RTDXDYYCCSFYQB-UHFFFAOYSA-N 0 0 427.284 -0.675 20 30 IBEDRN Cc1ccc(S(=O)(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)cc1C#N ZINC001201338401 1074409438 /nfs/dbraw/zinc/40/94/38/1074409438.db2.gz LNXHNWTUMCWBTN-ROUUACIJSA-N 0 0 430.486 -0.281 20 30 IBEDRN Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CO)C(N)=O)cc1C#N ZINC001201339578 1074409187 /nfs/dbraw/zinc/40/91/87/1074409187.db2.gz SUHPFMWMYBGRQU-ROUUACIJSA-N 0 0 446.485 -0.576 20 30 IBEDRN CCOc1ccc(NC(=O)c2ccc(C#N)cc2)cc1S(=O)(=O)NC(C(N)=O)C(N)=O ZINC001201395786 1074409232 /nfs/dbraw/zinc/40/92/32/1074409232.db2.gz YATFRTZWRFMMPA-UHFFFAOYSA-N 0 0 445.457 -0.173 20 30 IBEDRN Cc1ccccc1Oc1cccc(S(=O)(=O)N[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO)c1 ZINC001201589264 1074410734 /nfs/dbraw/zinc/41/07/34/1074410734.db2.gz VUHBKIHUJUWKFM-QFHJOOASSA-N 0 0 425.459 -0.292 20 30 IBEDRN CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](NC(=O)NC(C)C)C(=O)OCC ZINC001202535905 1074466396 /nfs/dbraw/zinc/46/63/96/1074466396.db2.gz KNBRXNULDUWHAJ-STQMWFEESA-N 0 0 448.542 -0.500 20 30 IBEDRN CCNC(=O)N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)OCC)C(=O)OCC ZINC001202557092 1074473985 /nfs/dbraw/zinc/47/39/85/1074473985.db2.gz WCHWKIYUEPGYSN-RYUDHWBXSA-N 0 0 434.515 -0.889 20 30 IBEDRN C=CCNC(=O)Nc1ncnc2c1nc(Br)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O ZINC001202558650 1074474555 /nfs/dbraw/zinc/47/45/55/1074474555.db2.gz GCBAGZNVJZKJET-WOUKDFQISA-N 0 0 429.231 -0.492 20 30 IBEDRN C=CCNC(=O)N[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]1OC(C)=O ZINC001202577753 1074475163 /nfs/dbraw/zinc/47/51/63/1074475163.db2.gz LBZDKPVEAYPGEX-WRQOLXDDSA-N 0 0 430.410 -0.445 20 30 IBEDRN C=CCNC(=O)N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)OCC)C(=O)OCC ZINC001202579130 1074475136 /nfs/dbraw/zinc/47/51/36/1074475136.db2.gz PIKRNAYUSOYXIN-STQMWFEESA-N 0 0 446.526 -0.723 20 30 IBEDRN CCCNC(=O)N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)OCC)C(=O)OCC ZINC001202602840 1074475182 /nfs/dbraw/zinc/47/51/82/1074475182.db2.gz COZUFRHOTFPXEI-STQMWFEESA-N 0 0 448.542 -0.499 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccn(CC(=O)OCC)c2=O)CC1 ZINC001202915259 1073069714 /nfs/dbraw/zinc/06/97/14/1073069714.db2.gz VVXSNBDCNIRFAQ-UHFFFAOYSA-N 0 0 425.467 -0.972 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(N3CCN(C(C)=O)CC3)c2)CC1 ZINC001203459830 1073326410 /nfs/dbraw/zinc/32/64/10/1073326410.db2.gz LZNRHSOOXVUUQE-UHFFFAOYSA-N 0 0 448.549 -0.028 20 30 IBEDRN CN(C)S(=O)(=O)C[C@H](NC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)C(F)(F)F ZINC001205034333 1073327008 /nfs/dbraw/zinc/32/70/08/1073327008.db2.gz HDENPOLVIOEUEN-NHCYSSNCSA-N 0 0 432.446 -0.612 20 30 IBEDRN CN(C)S(=O)(=O)C[C@@H](NC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)C(F)(F)F ZINC001205034338 1073326934 /nfs/dbraw/zinc/32/69/34/1073326934.db2.gz HDENPOLVIOEUEN-UMNHJUIQSA-N 0 0 432.446 -0.612 20 30 IBEDRN N#Cc1ccc(S(=O)(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)nc1 ZINC001208361898 1073329767 /nfs/dbraw/zinc/32/97/67/1073329767.db2.gz NCFJBZHRHPTEGF-UHFFFAOYSA-N 0 0 436.519 -0.221 20 30 IBEDRN N#CCC1(CS(=O)(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)CC1 ZINC001208434109 1073330120 /nfs/dbraw/zinc/33/01/20/1073330120.db2.gz MEAJJCRSBFSOHI-CYBMUJFWSA-N 0 0 425.554 -0.855 20 30 IBEDRN N#CCC1(CS(=O)(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)CC1 ZINC001208434110 1073330100 /nfs/dbraw/zinc/33/01/00/1073330100.db2.gz MEAJJCRSBFSOHI-ZDUSSCGKSA-N 0 0 425.554 -0.855 20 30 IBEDRN CN1CCN(S(=O)(=O)c2cccc(-n3c(N)c(C#N)c(N)nc3=NC3CC3)c2)CC1 ZINC001210064815 1073335020 /nfs/dbraw/zinc/33/50/20/1073335020.db2.gz OZPIMZFHJUXWJB-UHFFFAOYSA-N 0 0 428.522 -0.092 20 30 IBEDRN C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc(CC(=O)OC)c(F)c2)CC1 ZINC001210111081 1073334945 /nfs/dbraw/zinc/33/49/45/1073334945.db2.gz HFAGVTNOAIYSOJ-UHFFFAOYSA-N 0 0 425.482 -0.013 20 30 IBEDRN N#Cc1ccc(Br)cc1S(=O)(=O)N1CCN(CCS(N)(=O)=O)CC1 ZINC001210131431 1073334917 /nfs/dbraw/zinc/33/49/17/1073334917.db2.gz OGQMCVJWWIZNDX-UHFFFAOYSA-N 0 0 437.341 -0.084 20 30 IBEDRN C#CCNC(=O)CN1CCN(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001212217084 1072754033 /nfs/dbraw/zinc/75/40/33/1072754033.db2.gz MCVPXFMTYHACSH-UHFFFAOYSA-N 0 0 429.543 -0.849 20 30 IBEDRN C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(OCC(=O)NC3CC3)cc2)CC1 ZINC001212217294 1072753998 /nfs/dbraw/zinc/75/39/98/1072753998.db2.gz RUOXZWYINIQEQH-UHFFFAOYSA-N 0 0 434.518 -0.600 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2cc(C(=O)OCC)ccc2OC)CC1 ZINC001213521823 1073340225 /nfs/dbraw/zinc/34/02/25/1073340225.db2.gz DTBQSMRFFIMZDR-UHFFFAOYSA-N 0 0 445.519 -0.354 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2cc(F)cc(C(=O)OCC)c2)CC1 ZINC001213521828 1073340212 /nfs/dbraw/zinc/34/02/12/1073340212.db2.gz FCSDWUVEWJMPBJ-UHFFFAOYSA-N 0 0 433.483 -0.224 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)CC1 ZINC001213521996 1073340261 /nfs/dbraw/zinc/34/02/61/1073340261.db2.gz JFEQTWKLSOTYHJ-UHFFFAOYSA-N 0 0 426.520 -0.413 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(CCNC(C)=O)cc2)CC1 ZINC001213522110 1073340295 /nfs/dbraw/zinc/34/02/95/1073340295.db2.gz LQBPOSFJXXQSDP-UHFFFAOYSA-N 0 0 428.536 -0.861 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(S(=O)(=O)CCCOc2ccc(OC)cc2)CC1 ZINC001213522122 1073340277 /nfs/dbraw/zinc/34/02/77/1073340277.db2.gz MAQBPTVJIVVNIF-UHFFFAOYSA-N 0 0 431.536 -0.121 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)OC)cc2Cl)CC1 ZINC001213522126 1073340286 /nfs/dbraw/zinc/34/02/86/1073340286.db2.gz MCMXANMQTZCOSR-UHFFFAOYSA-N 0 0 435.911 -0.100 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2cc(F)c(F)c(C(=O)OC)c2)CC1 ZINC001213522161 1073340229 /nfs/dbraw/zinc/34/02/29/1073340229.db2.gz MTAULMKJKSORSW-UHFFFAOYSA-N 0 0 437.446 -0.475 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2CC(=O)OC)CC1 ZINC001213522271 1073340219 /nfs/dbraw/zinc/34/02/19/1073340219.db2.gz OYOKOVOLDGBSGW-UHFFFAOYSA-N 0 0 445.519 -0.815 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(NC(=O)OC)c(C)c2)CC1 ZINC001213522788 1073340676 /nfs/dbraw/zinc/34/06/76/1073340676.db2.gz SOWWFIRPDGSVAV-UHFFFAOYSA-N 0 0 430.508 -0.053 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2cc(C(=O)OC)c(F)cc2C)CC1 ZINC001213523371 1073340614 /nfs/dbraw/zinc/34/06/14/1073340614.db2.gz YRENDVYCQIEMEC-UHFFFAOYSA-N 0 0 433.483 -0.305 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(S(=O)(=O)N(C)OC)cc2)CC1 ZINC001214207467 1073344404 /nfs/dbraw/zinc/34/44/04/1073344404.db2.gz FYSRSWRFPCWRBA-UHFFFAOYSA-N 0 0 445.523 -0.514 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(CN3C(=O)CCC3=O)cc2)CC1 ZINC001214383312 1073344917 /nfs/dbraw/zinc/34/49/17/1073344917.db2.gz JQIGXYYHVMRCBM-UHFFFAOYSA-N 0 0 433.490 -0.047 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)CC1 ZINC001214779731 1073344956 /nfs/dbraw/zinc/34/49/56/1073344956.db2.gz WULLNLHAIZQTTJ-UHFFFAOYSA-N 0 0 438.462 -0.123 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(S(=O)(=O)NC3CC3)cc2)CC1 ZINC001215330067 1073345984 /nfs/dbraw/zinc/34/59/84/1073345984.db2.gz XEZOJBWYDIGOQV-UHFFFAOYSA-N 0 0 441.535 -0.256 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(Br)c(=O)n(C)c2)CC1 ZINC001215923859 1073346267 /nfs/dbraw/zinc/34/62/67/1073346267.db2.gz UMXGKYNVJPRZSY-UHFFFAOYSA-N 0 0 432.300 -0.235 20 30 IBEDRN COC(=O)CN1C[C@H](Oc2ccc(C[C@H](N)C(=O)ON3C(=O)CCC3=O)cc2)CC1=O ZINC001218311617 1073348847 /nfs/dbraw/zinc/34/88/47/1073348847.db2.gz RFXQLGXTIKRREM-CABCVRRESA-N 0 0 433.417 -0.684 20 30 IBEDRN COC(=O)CN1C[C@@H](Oc2ccc(C[C@H](N)C(=O)ON3C(=O)CCC3=O)cc2)CC1=O ZINC001218311623 1073349050 /nfs/dbraw/zinc/34/90/50/1073349050.db2.gz RFXQLGXTIKRREM-GJZGRUSLSA-N 0 0 433.417 -0.684 20 30 IBEDRN CC1(C)O[C@H]2C(=O)O[C@H](COc3ccc(C[C@H](N)C(=O)ON4C(=O)CCC4=O)cc3)[C@H]2O1 ZINC001218318889 1073349092 /nfs/dbraw/zinc/34/90/92/1073349092.db2.gz HCMGLIHOBBDMTP-MJSCVDMRSA-N 0 0 448.428 -0.012 20 30 IBEDRN CC(=O)O[C@H]1CO[C@@H]2[C@H](Oc3ccc(C[C@H](N)C(=O)ON4C(=O)CCC4=O)cc3)CO[C@@H]21 ZINC001218490627 1073349739 /nfs/dbraw/zinc/34/97/39/1073349739.db2.gz NGRIGTGZFYULAV-RHVZCBDQSA-N 0 0 448.428 -0.360 20 30 IBEDRN N#Cc1c(N)nc(=NC2CC2)n(C(=O)[C@H](N)CSCNC(=O)Cc2ccccc2)c1N ZINC001218596356 1073352017 /nfs/dbraw/zinc/35/20/17/1073352017.db2.gz IFGYKSWVHHTYDW-OAHLLOKOSA-N 0 0 440.533 -0.001 20 30 IBEDRN N#Cc1ccccc1C[C@H]1C[NH2+][C@H](C(=O)n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)C1 ZINC001218601765 1073352067 /nfs/dbraw/zinc/35/20/67/1073352067.db2.gz HCLAUYNUIPRLGK-SKDRFNHKSA-N 0 0 433.450 -0.559 20 30 IBEDRN C=C[C@@H]1C[C@]1([NH3+])C(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2CO[P@](=O)([O-])O[C@@H]2[C@@H]1O ZINC001218634596 1073354452 /nfs/dbraw/zinc/35/44/52/1073354452.db2.gz XPCCDEKYVGWGHM-IRYHBBMZSA-N 0 0 438.337 -0.558 20 30 IBEDRN C=C[C@@H]1C[C@]1([NH3+])C(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2CO[P@](=O)([O-])O[C@H]2[C@@H]1O ZINC001218634602 1073354616 /nfs/dbraw/zinc/35/46/16/1073354616.db2.gz XPCCDEKYVGWGHM-NLVHOOPVSA-N 0 0 438.337 -0.558 20 30 IBEDRN CS(=O)(=O)O[C@H]1CN[C@H](C(=O)n2c(C(N)=O)c(N)sc2=Nc2ccccc2)C1 ZINC001218773941 1073357755 /nfs/dbraw/zinc/35/77/55/1073357755.db2.gz LRVIFBMBBOYJLI-MNOVXSKESA-N 0 0 425.492 -0.190 20 30 IBEDRN COC(=O)[C@@H]1C[C@@H](NC(=O)[C@H]2O[C@@H]2C(=O)N[C@H](CC(C)C)C(=O)NCCC(C)C)CN1 ZINC001219965363 1073382393 /nfs/dbraw/zinc/38/23/93/1073382393.db2.gz KOHMBJODVNVGQF-NRKLIOEPSA-N 0 0 440.541 -0.533 20 30 IBEDRN COC(=O)[C@@H]1C[C@@H](NC(=O)[C@H]2O[C@@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C)CN1 ZINC001219965364 1073382322 /nfs/dbraw/zinc/38/23/22/1073382322.db2.gz KOHMBJODVNVGQF-XAJHFOFHSA-N 0 0 440.541 -0.533 20 30 IBEDRN N#CC[C@@H](NC(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1)C(F)(F)F ZINC001220098375 1073384054 /nfs/dbraw/zinc/38/40/54/1073384054.db2.gz RMFNYFARMGVLMG-GHMZBOCLSA-N 0 0 432.446 -0.325 20 30 IBEDRN N#CC[C@H](NC(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1)C(F)(F)F ZINC001220098376 1073384312 /nfs/dbraw/zinc/38/43/12/1073384312.db2.gz RMFNYFARMGVLMG-MNOVXSKESA-N 0 0 432.446 -0.325 20 30 IBEDRN N#CC[C@H](NC(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1)C(F)(F)F ZINC001220098377 1073384107 /nfs/dbraw/zinc/38/41/07/1073384107.db2.gz RMFNYFARMGVLMG-QWRGUYRKSA-N 0 0 432.446 -0.325 20 30 IBEDRN N#CC[C@@H](NC(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1)C(F)(F)F ZINC001220098378 1073384145 /nfs/dbraw/zinc/38/41/45/1073384145.db2.gz RMFNYFARMGVLMG-WDEREUQCSA-N 0 0 432.446 -0.325 20 30 IBEDRN C[C@H]1[C@H](NC(=O)c2cccc(NC(=O)[C@@H]3C[C@H](S)C[NH2+]3)c2)C(=O)N1S(=O)(=O)[O-] ZINC001220101625 1073384776 /nfs/dbraw/zinc/38/47/76/1073384776.db2.gz VSCVFSNXCZBWJE-WTFGDDLMSA-N 0 0 428.492 -0.583 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc(OCCO)c(OC)c2)CC1 ZINC001221229629 1073418844 /nfs/dbraw/zinc/41/88/44/1073418844.db2.gz JUBJLDCBAZZEQG-UHFFFAOYSA-N 0 0 426.495 -0.639 20 30 IBEDRN COc1nc(C(=NC(=O)[C@@H]2C[C@@H](OS(C)(=O)=O)CN2)NO)ccc1-n1cnc(C)c1 ZINC001221357306 1073426897 /nfs/dbraw/zinc/42/68/97/1073426897.db2.gz HCAKIKNCOWGLKI-YPMHNXCESA-N 0 0 438.466 -0.457 20 30 IBEDRN [NH3+]CCCN(C[C@@H](S)OP(=O)([O-])[O-])C(=O)[C@@H]([NH3+])CC(=O)OCc1ccccc1 ZINC001221381558 1073427651 /nfs/dbraw/zinc/42/76/51/1073427651.db2.gz ASTYUNRNEQSRDK-DZGCQCFKSA-N 0 0 435.439 -0.010 20 30 IBEDRN [NH3+]CCCN(C[C@H](S)OP(=O)([O-])[O-])C(=O)[C@@H]([NH3+])CC(=O)OCc1ccccc1 ZINC001221381559 1073427666 /nfs/dbraw/zinc/42/76/66/1073427666.db2.gz ASTYUNRNEQSRDK-ZFWWWQNUSA-N 0 0 435.439 -0.010 20 30 IBEDRN [NH3+]CCCN(C[C@@H](S)OP(=O)([O-])[O-])C(=O)[C@H]([NH3+])C1CCC2(CC1)OCCO2 ZINC001221382292 1073428320 /nfs/dbraw/zinc/42/83/20/1073428320.db2.gz KASZVCYETOUORL-CHWSQXEVSA-N 0 0 427.460 -0.210 20 30 IBEDRN [NH3+]CCCN(C[C@@H](S)OP(=O)([O-])[O-])C(=O)[C@@H]([NH3+])C1CCC2(CC1)OCCO2 ZINC001221382293 1073428256 /nfs/dbraw/zinc/42/82/56/1073428256.db2.gz KASZVCYETOUORL-OLZOCXBDSA-N 0 0 427.460 -0.210 20 30 IBEDRN [NH3+]CCCN(C[C@H](S)OP(=O)([O-])[O-])C(=O)[C@H]([NH3+])C1CCC2(CC1)OCCO2 ZINC001221382294 1073428211 /nfs/dbraw/zinc/42/82/11/1073428211.db2.gz KASZVCYETOUORL-QWHCGFSZSA-N 0 0 427.460 -0.210 20 30 IBEDRN [NH3+]CCCN(C[C@H](S)OP(=O)([O-])[O-])C(=O)[C@@H]([NH3+])C1CCC2(CC1)OCCO2 ZINC001221382295 1073428222 /nfs/dbraw/zinc/42/82/22/1073428222.db2.gz KASZVCYETOUORL-STQMWFEESA-N 0 0 427.460 -0.210 20 30 IBEDRN [NH3+]CCCN(C[C@@H](S)OP(=O)([O-])[O-])C(=O)c1csc(N2CC[NH2+]CC2)n1 ZINC001221383081 1073428205 /nfs/dbraw/zinc/42/82/05/1073428205.db2.gz SKUIAQWHGMVUFI-LLVKDONJSA-N 0 0 425.473 -0.291 20 30 IBEDRN [NH3+]CCCN(C[C@H](S)OP(=O)([O-])[O-])C(=O)c1csc(N2CC[NH2+]CC2)n1 ZINC001221383083 1073428270 /nfs/dbraw/zinc/42/82/70/1073428270.db2.gz SKUIAQWHGMVUFI-NSHDSACASA-N 0 0 425.473 -0.291 20 30 IBEDRN [NH3+]CCCN(C[C@@H](S)OP(=O)([O-])[O-])C(=O)[C@H]1Cn2ccnc2C12CC[NH2+]CC2 ZINC001221383263 1073428227 /nfs/dbraw/zinc/42/82/27/1073428227.db2.gz XXYRQRIRQBTTNZ-CHWSQXEVSA-N 0 0 433.471 -0.323 20 30 IBEDRN [NH3+]CCCN(C[C@H](S)OP(=O)([O-])[O-])C(=O)[C@H]1Cn2ccnc2C12CC[NH2+]CC2 ZINC001221383264 1073428311 /nfs/dbraw/zinc/42/83/11/1073428311.db2.gz XXYRQRIRQBTTNZ-OLZOCXBDSA-N 0 0 433.471 -0.323 20 30 IBEDRN [NH3+]CCCN(C[C@@H](S)OP(=O)([O-])[O-])C(=O)[C@@H]1Cn2ccnc2C12CC[NH2+]CC2 ZINC001221383265 1073428249 /nfs/dbraw/zinc/42/82/49/1073428249.db2.gz XXYRQRIRQBTTNZ-QWHCGFSZSA-N 0 0 433.471 -0.323 20 30 IBEDRN [NH3+]CCCN(C[C@H](S)OP(=O)([O-])[O-])C(=O)[C@@H]1Cn2ccnc2C12CC[NH2+]CC2 ZINC001221383266 1073428274 /nfs/dbraw/zinc/42/82/74/1073428274.db2.gz XXYRQRIRQBTTNZ-STQMWFEESA-N 0 0 433.471 -0.323 20 30 IBEDRN [NH3+]CCCN(C[C@H](S)OP(=O)([O-])[O-])C(=O)[C@H]1Cn2cnnc2C12CC[NH2+]CC2 ZINC001221383333 1073428305 /nfs/dbraw/zinc/42/83/05/1073428305.db2.gz ZXJWSVNIOSULNR-NEPJUHHUSA-N 0 0 434.459 -0.928 20 30 IBEDRN [NH3+]CCCN(C[C@@H](S)OP(=O)([O-])[O-])C(=O)[C@@H]1Cn2cnnc2C12CC[NH2+]CC2 ZINC001221383334 1073428318 /nfs/dbraw/zinc/42/83/18/1073428318.db2.gz ZXJWSVNIOSULNR-NWDGAFQWSA-N 0 0 434.459 -0.928 20 30 IBEDRN [NH3+]CCCN(C[C@H](S)OP(=O)([O-])[O-])C(=O)[C@@H]1Cn2cnnc2C12CC[NH2+]CC2 ZINC001221383335 1073428263 /nfs/dbraw/zinc/42/82/63/1073428263.db2.gz ZXJWSVNIOSULNR-RYUDHWBXSA-N 0 0 434.459 -0.928 20 30 IBEDRN [NH3+]CCCN(C[C@@H](S)OP(=O)([O-])[O-])C(=O)[C@H]1Cn2cnnc2C12CC[NH2+]CC2 ZINC001221383336 1073428937 /nfs/dbraw/zinc/42/89/37/1073428937.db2.gz ZXJWSVNIOSULNR-VXGBXAGGSA-N 0 0 434.459 -0.928 20 30 IBEDRN C#CCCC1(CCNC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF)N=N1 ZINC001221407568 1073428892 /nfs/dbraw/zinc/42/88/92/1073428892.db2.gz CSCNUPJLQZKRIX-ZQIUZPCESA-N 0 0 438.504 -0.030 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)NCCNC(=O)Cc2cccc(F)c2)CC1 ZINC001221711699 1073430863 /nfs/dbraw/zinc/43/08/63/1073430863.db2.gz UBJWQPJMNBJQFI-UHFFFAOYSA-N 0 0 425.486 -0.721 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)NCCCNC(=O)c2ccc(F)cc2)CC1 ZINC001221991954 1073433492 /nfs/dbraw/zinc/43/34/92/1073433492.db2.gz WAJDTQRGYLAVIK-UHFFFAOYSA-N 0 0 425.486 -0.260 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@@H](c2ccccc2)N2CCOCC2)CC1 ZINC001222221572 1073435222 /nfs/dbraw/zinc/43/52/22/1073435222.db2.gz WBZYUBHSYLXAJB-IBGZPJMESA-N 0 0 435.550 -0.145 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@H](c2ccccc2)N2CCOCC2)CC1 ZINC001222221576 1073435011 /nfs/dbraw/zinc/43/50/11/1073435011.db2.gz WBZYUBHSYLXAJB-LJQANCHMSA-N 0 0 435.550 -0.145 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccccc2S(=O)(=O)N(C)C)CC1 ZINC001222868140 1073437057 /nfs/dbraw/zinc/43/70/57/1073437057.db2.gz SVEOXNVMVOOUSG-UHFFFAOYSA-N 0 0 443.551 -0.768 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@H](C(CC)CC)N2CCOCC2)CC1 ZINC001223076413 1073437932 /nfs/dbraw/zinc/43/79/32/1073437932.db2.gz SBILCUSVTYIYBM-GOSISDBHSA-N 0 0 429.587 -0.082 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@@H](C(CC)CC)N2CCOCC2)CC1 ZINC001223076414 1073437967 /nfs/dbraw/zinc/43/79/67/1073437967.db2.gz SBILCUSVTYIYBM-SFHVURJKSA-N 0 0 429.587 -0.082 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc(CS(C)(=O)=O)cc2)CC1 ZINC001224169264 1073439244 /nfs/dbraw/zinc/43/92/44/1073439244.db2.gz ZLKAOYBVFSKTHK-UHFFFAOYSA-N 0 0 428.536 -0.474 20 30 IBEDRN COC(=O)CN1C[C@@H](OCC(=O)Nc2ccc(C(=O)ON3C(=O)CCC3=O)cc2)CC1=O ZINC001225149033 1073441638 /nfs/dbraw/zinc/44/16/38/1073441638.db2.gz HRNYXSPWMWGXCZ-AWEZNQCLSA-N 0 0 447.400 -0.364 20 30 IBEDRN COC(=O)CN1C[C@H](OCC(=O)Nc2ccc(C(=O)ON3C(=O)CCC3=O)cc2)CC1=O ZINC001225149034 1073441660 /nfs/dbraw/zinc/44/16/60/1073441660.db2.gz HRNYXSPWMWGXCZ-CQSZACIVSA-N 0 0 447.400 -0.364 20 30 IBEDRN COC(=O)C[C@H](OCC(=O)Nc1ccc(C(=O)ON2C(=O)CCC2=O)cc1)C(=O)OC ZINC001225150680 1073441428 /nfs/dbraw/zinc/44/14/28/1073441428.db2.gz HEVQJXGBGCGWQL-ZDUSSCGKSA-N 0 0 436.373 -0.033 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)CC1 ZINC001225772394 1073443058 /nfs/dbraw/zinc/44/30/58/1073443058.db2.gz JWFIJSFQMSIFFX-UHFFFAOYSA-N 0 0 449.533 -0.546 20 30 IBEDRN N#C[C@]12CN(C(=O)NCCC(=O)N3CCN(c4ncccn4)CC3)C[C@H]1CS(=O)(=O)C2 ZINC001226318301 1073445116 /nfs/dbraw/zinc/44/51/16/1073445116.db2.gz XEAQIZHCOBKGME-HNAYVOBHSA-N 0 0 447.521 -0.905 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)CS(=O)(=O)c2ccc(C)cc2)CC1 ZINC001226693890 1073445141 /nfs/dbraw/zinc/44/51/41/1073445141.db2.gz RFJTXXOSKBZWMS-INIZCTEOSA-N 0 0 442.563 -0.048 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)CS(=O)(=O)c2ccc(C)cc2)CC1 ZINC001226693891 1073444987 /nfs/dbraw/zinc/44/49/87/1073444987.db2.gz RFJTXXOSKBZWMS-MRXNPFEDSA-N 0 0 442.563 -0.048 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc(S(=O)(=O)CC)cc2)CC1 ZINC001227272248 1073447388 /nfs/dbraw/zinc/44/73/88/1073447388.db2.gz GZKNYONHSAUGPQ-UHFFFAOYSA-N 0 0 428.536 -0.225 20 30 IBEDRN O=C1[N-]C(=O)C(=Nc2c(=O)[nH]c(=O)[nH]c2O[C@@H]2CC[N@H+](Cc3ccccc3)C2)C(=O)N1 ZINC001227472024 1073449513 /nfs/dbraw/zinc/44/95/13/1073449513.db2.gz JSSCYTUMOGVGCE-LLVKDONJSA-N 0 0 426.389 -0.020 20 30 IBEDRN O=C1[N-]C(=O)C(=Nc2c(=O)[nH]c(=O)[nH]c2O[C@H]2CC[N@H+](Cc3ccccc3)C2)C(=O)N1 ZINC001227472025 1073449133 /nfs/dbraw/zinc/44/91/33/1073449133.db2.gz JSSCYTUMOGVGCE-NSHDSACASA-N 0 0 426.389 -0.020 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)NCc2cc(F)ccc2N2CCOCC2)CC1 ZINC001228261527 1073455921 /nfs/dbraw/zinc/45/59/21/1073455921.db2.gz DACGWQUITCSROH-UHFFFAOYSA-N 0 0 439.513 -0.043 20 30 IBEDRN CC[C@@H](CNS(C)(=O)=O)NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC001228594224 1073457474 /nfs/dbraw/zinc/45/74/74/1073457474.db2.gz CAIYUGPGOMKCFH-HNNXBMFYSA-N 0 0 443.551 -0.098 20 30 IBEDRN CC[C@H](CNS(C)(=O)=O)NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC001228594232 1073457345 /nfs/dbraw/zinc/45/73/45/1073457345.db2.gz CAIYUGPGOMKCFH-OAHLLOKOSA-N 0 0 443.551 -0.098 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)NCCCN2C(=O)COc3ccccc32)CC1 ZINC001229211334 1073458238 /nfs/dbraw/zinc/45/82/38/1073458238.db2.gz YRTAJMDRMUMDPA-UHFFFAOYSA-N 0 0 435.506 -0.403 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)NCCn2cc(Br)ccc2=O)CC1 ZINC001229283177 1073458421 /nfs/dbraw/zinc/45/84/21/1073458421.db2.gz LBSSTEGXUSICGU-UHFFFAOYSA-N 0 0 446.327 -0.594 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)NCC(C)(C)[C@@H]2COCC23OCCO3)CC1 ZINC001229906674 1073460593 /nfs/dbraw/zinc/46/05/93/1073460593.db2.gz SFOJVPSJKZQMDS-HNNXBMFYSA-N 0 0 430.527 -0.803 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)NCC(C)(C)[C@H]2COCC23OCCO3)CC1 ZINC001229906683 1073460576 /nfs/dbraw/zinc/46/05/76/1073460576.db2.gz SFOJVPSJKZQMDS-OAHLLOKOSA-N 0 0 430.527 -0.803 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)NCCOc2cc(OC)cc(OC)c2)CC1 ZINC001230047007 1073460604 /nfs/dbraw/zinc/46/06/04/1073460604.db2.gz XLFCKZXFRLNHIO-UHFFFAOYSA-N 0 0 426.495 -0.123 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2CCN(c3c(F)cccc3F)C2=O)CC1 ZINC001230066513 1073460585 /nfs/dbraw/zinc/46/05/85/1073460585.db2.gz BDWBDOBWJIZPKE-HNNXBMFYSA-N 0 0 441.460 -0.135 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2CCN(c3c(F)cccc3F)C2=O)CC1 ZINC001230066527 1073460641 /nfs/dbraw/zinc/46/06/41/1073460641.db2.gz BDWBDOBWJIZPKE-OAHLLOKOSA-N 0 0 441.460 -0.135 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@H]2COCCN2C(=O)OC(C)(C)C)CC1 ZINC001234283408 1073474207 /nfs/dbraw/zinc/47/42/07/1073474207.db2.gz NAGJJYPOVDAZEE-HNNXBMFYSA-N 0 0 445.542 -0.583 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@@H]2COCCN2C(=O)OC(C)(C)C)CC1 ZINC001234283410 1073474198 /nfs/dbraw/zinc/47/41/98/1073474198.db2.gz NAGJJYPOVDAZEE-OAHLLOKOSA-N 0 0 445.542 -0.583 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)NCc2nc(COc3ccccc3)n[nH]2)CC1 ZINC001234576657 1073474916 /nfs/dbraw/zinc/47/49/16/1073474916.db2.gz DGLULHVKFCQOLC-UHFFFAOYSA-N 0 0 433.494 -0.322 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@@H]2CC(c3ccc(OC)cc3)=NO2)CC1 ZINC001235520064 1073478115 /nfs/dbraw/zinc/47/81/15/1073478115.db2.gz OMYYFOFORNQOHG-KRWDZBQOSA-N 0 0 435.506 -0.017 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@H]2CC(c3ccc(OC)cc3)=NO2)CC1 ZINC001235520093 1073477936 /nfs/dbraw/zinc/47/79/36/1073477936.db2.gz OMYYFOFORNQOHG-QGZVFWFLSA-N 0 0 435.506 -0.017 20 30 IBEDRN N#Cc1cc(S(=O)(=O)NCCS(=O)(=O)N2CCNCC2)ccc1Br ZINC001238121910 1073483416 /nfs/dbraw/zinc/48/34/16/1073483416.db2.gz BSIRRHWXBYBESZ-UHFFFAOYSA-N 0 0 437.341 -0.166 20 30 IBEDRN C=CCNCc1cn([C@@H]2[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](COC(C)=O)O[C@@H]2O)nn1 ZINC001246058896 1073504304 /nfs/dbraw/zinc/50/43/04/1073504304.db2.gz HKNZRVOPQMAGDM-SFFUCWETSA-N 0 0 426.426 -0.762 20 30 IBEDRN C=CCNCc1cn([C@H]2[C@H](O)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H]2OC(C)=O)nn1 ZINC001246058901 1073504385 /nfs/dbraw/zinc/50/43/85/1073504385.db2.gz HKNZRVOPQMAGDM-UYTYNIKBSA-N 0 0 426.426 -0.762 20 30 IBEDRN COC(=O)[C@H](CC[S@@](C)=O)NCc1cn(CCOCCOCCOCCC=O)nn1 ZINC001246066487 1073505227 /nfs/dbraw/zinc/50/52/27/1073505227.db2.gz RDRUKGCOCUMJSX-NOVUIFNWSA-N 0 0 448.542 -0.683 20 30 IBEDRN COC(=O)[C@H](CC[S@](C)=O)NCc1cn(CCOCCOCCOCCC=O)nn1 ZINC001246066496 1073504946 /nfs/dbraw/zinc/50/49/46/1073504946.db2.gz RDRUKGCOCUMJSX-ZOKDDAQRSA-N 0 0 448.542 -0.683 20 30 IBEDRN C=CCCNC(=S)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1OCCOC ZINC001247599839 1073527098 /nfs/dbraw/zinc/52/70/98/1073527098.db2.gz CZNJGUJQDBXDRB-LSCFUAHRSA-N 0 0 438.510 -0.029 20 30 IBEDRN C=CCCCNC(=S)Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(=O)NCC)[C@@H](O)[C@H]1O ZINC001247708981 1073530141 /nfs/dbraw/zinc/53/01/41/1073530141.db2.gz DHTHROLVBKVUEG-PFHKOEEOSA-N 0 0 435.510 -0.166 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@@H]2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)CC1 ZINC001248489709 1073531854 /nfs/dbraw/zinc/53/18/54/1073531854.db2.gz CARHROMLGDAPQW-PHZGNYQRSA-N 0 0 441.554 -0.106 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2CCCN(C(=O)N3CCCC3)C2)CC1 ZINC001248634655 1073535681 /nfs/dbraw/zinc/53/56/81/1073535681.db2.gz QSSPLPCOQDMRNJ-INIZCTEOSA-N 0 0 426.543 -0.539 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2CCCN(C(=O)N3CCCC3)C2)CC1 ZINC001248634660 1073535664 /nfs/dbraw/zinc/53/56/64/1073535664.db2.gz QSSPLPCOQDMRNJ-MRXNPFEDSA-N 0 0 426.543 -0.539 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2CCOC3(CC(C(=O)OC)C3)C2)CC1 ZINC001248650905 1073535697 /nfs/dbraw/zinc/53/56/97/1073535697.db2.gz FJHUUCKFJOQKEU-CSLYMUCUSA-N 0 0 428.511 -0.718 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2CCOC3(CC(C(=O)OC)C3)C2)CC1 ZINC001248650906 1073535814 /nfs/dbraw/zinc/53/58/14/1073535814.db2.gz FJHUUCKFJOQKEU-SWKXRBFHSA-N 0 0 428.511 -0.718 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)NCC2(S(=O)(=O)NC(C)(C)C)CCC2)CC1 ZINC001248677141 1073536207 /nfs/dbraw/zinc/53/62/07/1073536207.db2.gz VQEAGDZHRIJKFF-UHFFFAOYSA-N 0 0 449.599 -0.578 20 30 IBEDRN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N(C)CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC001248728518 1073536920 /nfs/dbraw/zinc/53/69/20/1073536920.db2.gz KPHSVESDCXKRDP-HNNXBMFYSA-N 0 0 432.506 -0.088 20 30 IBEDRN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N(C)CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC001248728519 1073536950 /nfs/dbraw/zinc/53/69/50/1073536950.db2.gz KPHSVESDCXKRDP-OAHLLOKOSA-N 0 0 432.506 -0.088 20 30 IBEDRN N#Cc1ccc(N2C[C@]3(COCCN(C[C@H](O)CN4CCOCC4)C3)OCC2=O)cc1 ZINC001251012584 1073539427 /nfs/dbraw/zinc/53/94/27/1073539427.db2.gz ACSZNANZGHUIBJ-IFMALSPDSA-N 0 0 430.505 -0.314 20 30 IBEDRN N#Cc1ccc(N2C[C@@]3(COCCN(C[C@H](O)CN4CCOCC4)C3)OCC2=O)cc1 ZINC001251012587 1073539306 /nfs/dbraw/zinc/53/93/06/1073539306.db2.gz ACSZNANZGHUIBJ-IRLDBZIGSA-N 0 0 430.505 -0.314 20 30 IBEDRN N#Cc1ccc(N2C[C@]3(COCCN(C[C@@H](O)CN4CCOCC4)C3)OCC2=O)cc1 ZINC001251012589 1073539335 /nfs/dbraw/zinc/53/93/35/1073539335.db2.gz ACSZNANZGHUIBJ-RBBKRZOGSA-N 0 0 430.505 -0.314 20 30 IBEDRN N#Cc1ccc(N2C[C@@]3(COCCN(C[C@@H](O)CN4CCOCC4)C3)OCC2=O)cc1 ZINC001251012591 1073539270 /nfs/dbraw/zinc/53/92/70/1073539270.db2.gz ACSZNANZGHUIBJ-UNMCSNQZSA-N 0 0 430.505 -0.314 20 30 IBEDRN CN(C)S(=O)(=O)N[C@@H]1CCCN(c2cc(=O)n(C)c(=O)n2Cc2ccccc2C#N)C1 ZINC001251105383 1073542435 /nfs/dbraw/zinc/54/24/35/1073542435.db2.gz IMGUSUCUSZSPHP-QGZVFWFLSA-N 0 0 446.533 -0.168 20 30 IBEDRN C=CCN(C(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C)[C@H]1CCS(=O)(=O)C1 ZINC001251242027 1073544531 /nfs/dbraw/zinc/54/45/31/1073544531.db2.gz ZZKZKAQSTQDQDG-AWEZNQCLSA-N 0 0 431.536 -0.139 20 30 IBEDRN C=CCN(C(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C)[C@@H]1CCS(=O)(=O)C1 ZINC001251242028 1073544615 /nfs/dbraw/zinc/54/46/15/1073544615.db2.gz ZZKZKAQSTQDQDG-CQSZACIVSA-N 0 0 431.536 -0.139 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)NCc2cccc(S(=O)(=O)N(C)C)c2)CC1 ZINC001251286213 1073545154 /nfs/dbraw/zinc/54/51/54/1073545154.db2.gz SQEISFMPVYJXRT-UHFFFAOYSA-N 0 0 443.551 -0.768 20 30 IBEDRN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1 ZINC001251440843 1073546495 /nfs/dbraw/zinc/54/64/95/1073546495.db2.gz SBBKJXZKANTKHO-MSOLQXFVSA-N 0 0 446.533 -0.547 20 30 IBEDRN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1 ZINC001251440844 1073546447 /nfs/dbraw/zinc/54/64/47/1073546447.db2.gz SBBKJXZKANTKHO-QZTJIDSGSA-N 0 0 446.533 -0.547 20 30 IBEDRN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1 ZINC001251440845 1073546294 /nfs/dbraw/zinc/54/62/94/1073546294.db2.gz SBBKJXZKANTKHO-ROUUACIJSA-N 0 0 446.533 -0.547 20 30 IBEDRN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1 ZINC001251440846 1073546307 /nfs/dbraw/zinc/54/63/07/1073546307.db2.gz SBBKJXZKANTKHO-ZWKOTPCHSA-N 0 0 446.533 -0.547 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2CCSC3(CC(C(=O)OC)C3)C2)CC1 ZINC001251473287 1073547002 /nfs/dbraw/zinc/54/70/02/1073547002.db2.gz VJRZKZYBWUZZGM-CSLYMUCUSA-N 0 0 444.579 -0.001 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2CCSC3(CC(C(=O)OC)C3)C2)CC1 ZINC001251473288 1073547174 /nfs/dbraw/zinc/54/71/74/1073547174.db2.gz VJRZKZYBWUZZGM-SWKXRBFHSA-N 0 0 444.579 -0.001 20 30 IBEDRN C#CCNC(=O)CN1CCCN(C(=O)c2cc(OC)c(OCC(N)=O)c(OC)c2)CC1 ZINC001251649805 1073548265 /nfs/dbraw/zinc/54/82/65/1073548265.db2.gz PSHMNRCJJNEIBD-UHFFFAOYSA-N 0 0 432.477 -0.535 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)NC2CN(C(=O)OCc3ccccc3)C2)CC1 ZINC001251809175 1073552288 /nfs/dbraw/zinc/55/22/88/1073552288.db2.gz LRHIWUALOZZHQD-UHFFFAOYSA-N 0 0 435.506 -0.198 20 30 IBEDRN CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](NC[C@H](O)CC)C(=O)OCC ZINC001251817854 1073552212 /nfs/dbraw/zinc/55/22/12/1073552212.db2.gz XPBIGSPCEUYODR-RDBSUJKOSA-N 0 0 435.543 -0.847 20 30 IBEDRN C#CCOC[C@@H](O)CNc1ncnc2c1nc(Br)n2[C@H]1C[C@H](O)[C@@H](CO)O1 ZINC001251829222 1073552717 /nfs/dbraw/zinc/55/27/17/1073552717.db2.gz PPVDUYLHXBDUEJ-NNYUYHANSA-N 0 0 442.270 -0.348 20 30 IBEDRN C#CCOC[C@H](O)CNc1ncnc2c1nc(Br)n2[C@H]1C[C@H](O)[C@@H](CO)O1 ZINC001251829223 1073552689 /nfs/dbraw/zinc/55/26/89/1073552689.db2.gz PPVDUYLHXBDUEJ-WRWGMCAJSA-N 0 0 442.270 -0.348 20 30 IBEDRN C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CCCCN2C(=O)c2ccc(=O)[nH]n2)CC1 ZINC001252144483 1073556089 /nfs/dbraw/zinc/55/60/89/1073556089.db2.gz PDGRWKNHLBNGHT-QGZVFWFLSA-N 0 0 428.493 -0.539 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](CC(C)C)C(=O)N2CCOCC2)CC1 ZINC001252251845 1073556503 /nfs/dbraw/zinc/55/65/03/1073556503.db2.gz RMFZTEUPALFEON-INIZCTEOSA-N 0 0 429.543 -0.945 20 30 IBEDRN CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](NCC(C)(C)O)C(=O)OCC ZINC001252370709 1073557001 /nfs/dbraw/zinc/55/70/01/1073557001.db2.gz WEVIQZZVEYLYLD-STQMWFEESA-N 0 0 435.543 -0.847 20 30 IBEDRN C=C[C@@](C)(O)CNc1ncnc2c1nc(Br)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O ZINC001252542721 1073559948 /nfs/dbraw/zinc/55/99/48/1073559948.db2.gz JJCOGLVGCGYJJK-WKLITFCYSA-N 0 0 430.259 -0.451 20 30 IBEDRN C=C[C@](C)(O)CNc1ncnc2c1nc(Br)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O ZINC001252542722 1073560001 /nfs/dbraw/zinc/56/00/01/1073560001.db2.gz JJCOGLVGCGYJJK-XLHXBEAMSA-N 0 0 430.259 -0.451 20 30 IBEDRN C=C[C@@](C)(O)CN[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)OCC)C(=O)OCC ZINC001252583484 1073560844 /nfs/dbraw/zinc/56/08/44/1073560844.db2.gz LTTZBMTYFDUBPX-CKFHNAJUSA-N 0 0 447.554 -0.681 20 30 IBEDRN C=C[C@](C)(O)CN[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)OCC)C(=O)OCC ZINC001252583485 1073560634 /nfs/dbraw/zinc/56/06/34/1073560634.db2.gz LTTZBMTYFDUBPX-NJSLBKSFSA-N 0 0 447.554 -0.681 20 30 IBEDRN C=CCC[C@@H](O)CNc1ncnc2c1nc(Br)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O ZINC001252590668 1073560767 /nfs/dbraw/zinc/56/07/67/1073560767.db2.gz AEDKPOVCDKHREI-NENBDWHOSA-N 0 0 444.286 -0.061 20 30 IBEDRN C=CCC[C@H](O)CNc1ncnc2c1nc(Br)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O ZINC001252590669 1073560495 /nfs/dbraw/zinc/56/04/95/1073560495.db2.gz AEDKPOVCDKHREI-OPYVMVOTSA-N 0 0 444.286 -0.061 20 30 IBEDRN C=CCC[C@@H](O)CN[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]1OC(C)=O ZINC001252620907 1073560712 /nfs/dbraw/zinc/56/07/12/1073560712.db2.gz RNIMSZFOBRJAIB-BZIXAJQCSA-N 0 0 445.465 -0.014 20 30 IBEDRN C=CCC[C@H](O)CN[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]1OC(C)=O ZINC001252620908 1073560535 /nfs/dbraw/zinc/56/05/35/1073560535.db2.gz RNIMSZFOBRJAIB-RFVXBFLTSA-N 0 0 445.465 -0.014 20 30 IBEDRN CCC[C@@H](O)CN[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)OCC)C(=O)OCC ZINC001252808096 1073562914 /nfs/dbraw/zinc/56/29/14/1073562914.db2.gz QGWXPLBZEQTYPW-ILXRZTDVSA-N 0 0 449.570 -0.457 20 30 IBEDRN CCC[C@H](O)CN[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)OCC)C(=O)OCC ZINC001252808097 1073562875 /nfs/dbraw/zinc/56/28/75/1073562875.db2.gz QGWXPLBZEQTYPW-KKUMJFAQSA-N 0 0 449.570 -0.457 20 30 IBEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2cscn2)c(=O)n1Cc1ccon1 ZINC001253086313 1073565542 /nfs/dbraw/zinc/56/55/42/1073565542.db2.gz MZQMPUPLDNRBKE-UHFFFAOYSA-N 0 0 429.483 -0.236 20 30 IBEDRN CNC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1Cc1ccon1 ZINC001253086923 1073565622 /nfs/dbraw/zinc/56/56/22/1073565622.db2.gz TVAYYEMATQQQMY-UHFFFAOYSA-N 0 0 444.494 -0.401 20 30 IBEDRN Cc1oc(NC(=O)CN2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)c(C#N)c1C ZINC001253435974 1073569098 /nfs/dbraw/zinc/56/90/98/1073569098.db2.gz YJRONOSSNISZCF-HNNXBMFYSA-N 0 0 437.522 -0.372 20 30 IBEDRN Cc1oc(NC(=O)CN2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)c(C#N)c1C ZINC001253435975 1073569128 /nfs/dbraw/zinc/56/91/28/1073569128.db2.gz YJRONOSSNISZCF-OAHLLOKOSA-N 0 0 437.522 -0.372 20 30 IBEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(CCOC)c2)c(=O)n1C[C@@H]1CCOC1 ZINC001253455518 1073569685 /nfs/dbraw/zinc/56/96/85/1073569685.db2.gz ANWRKUHPCKPUQQ-HNNXBMFYSA-N 0 0 443.529 -0.406 20 30 IBEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(CCOC)c2)c(=O)n1C[C@H]1CCOC1 ZINC001253455531 1073569631 /nfs/dbraw/zinc/56/96/31/1073569631.db2.gz ANWRKUHPCKPUQQ-OAHLLOKOSA-N 0 0 443.529 -0.406 20 30 IBEDRN CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](NC[C@H](O)C(C)C)C(=O)OCC ZINC001253790077 1073571999 /nfs/dbraw/zinc/57/19/99/1073571999.db2.gz MSFRNOIARAHSKB-KKUMJFAQSA-N 0 0 449.570 -0.601 20 30 IBEDRN CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](NC[C@@H](O)C(C)C)C(=O)OCC ZINC001253790080 1073571969 /nfs/dbraw/zinc/57/19/69/1073571969.db2.gz MSFRNOIARAHSKB-SOUVJXGZSA-N 0 0 449.570 -0.601 20 30 IBEDRN C#CCC(Cc1cn(CCOCCOCCOCCC=O)nn1)(C(=O)OC)C(=O)OC ZINC001254075837 1073575410 /nfs/dbraw/zinc/57/54/10/1073575410.db2.gz OLJHIVPFANZVQC-UHFFFAOYSA-N 0 0 439.465 -0.185 20 30 IBEDRN C#CCN(CC#C)Cc1cn(CCOCCOCCOCCOCCOCC=O)nn1 ZINC001254076425 1073576065 /nfs/dbraw/zinc/57/60/65/1073576065.db2.gz MFNGWODRNYZBCS-UHFFFAOYSA-N 0 0 436.509 -0.372 20 30 IBEDRN C#CCC(Cc1cn(CCOCCOCCOCC=O)nn1)(C(=O)OC)C(=O)OC ZINC001254076543 1073576077 /nfs/dbraw/zinc/57/60/77/1073576077.db2.gz PHASAIQHQQDKKX-UHFFFAOYSA-N 0 0 425.438 -0.575 20 30 IBEDRN C#CC[S@@](=O)Cc1cn(CCOCCOCCOCCOCCOCC=O)nn1 ZINC001254076606 1073576134 /nfs/dbraw/zinc/57/61/34/1073576134.db2.gz RLDASEWWNLVUHN-GDLZYMKVSA-N 0 0 431.511 -0.558 20 30 IBEDRN C#CC[S@](=O)Cc1cn(CCOCCOCCOCCOCCOCC=O)nn1 ZINC001254076611 1073576112 /nfs/dbraw/zinc/57/61/12/1073576112.db2.gz RLDASEWWNLVUHN-LJAQVGFWSA-N 0 0 431.511 -0.558 20 30 IBEDRN C#CCOCCOCCOCc1cn([C@H]2C[C@H](n3cc(C)c(=O)[nH]c3=O)O[C@@H]2CO)nn1 ZINC001254100230 1073576360 /nfs/dbraw/zinc/57/63/60/1073576360.db2.gz BZXXKKFWARJJFO-RCCFBDPRSA-N 0 0 449.464 -0.447 20 30 IBEDRN C#CCOCCOCCOCc1cn([C@@H]2C[C@H](n3cc(C)c(=O)[nH]c3=O)O[C@H]2CO)nn1 ZINC001254100517 1073576492 /nfs/dbraw/zinc/57/64/92/1073576492.db2.gz BZXXKKFWARJJFO-FGTMMUONSA-N 0 0 449.464 -0.447 20 30 IBEDRN C#CCOCCOCCOCc1cn([C@@H]2C[C@@H](n3cc(C)c(=O)[nH]c3=O)O[C@@H]2CO)nn1 ZINC001254100519 1073576325 /nfs/dbraw/zinc/57/63/25/1073576325.db2.gz BZXXKKFWARJJFO-KURKYZTESA-N 0 0 449.464 -0.447 20 30 IBEDRN C#CCOCCOCCOCc1cn([C@@H]2C[C@H](n3cc(C)c(=O)[nH]c3=O)O[C@@H]2CO)nn1 ZINC001254100520 1073576517 /nfs/dbraw/zinc/57/65/17/1073576517.db2.gz BZXXKKFWARJJFO-KZNAEPCWSA-N 0 0 449.464 -0.447 20 30 IBEDRN C#CCOCCOCCOCc1cn([C@@H]2C[C@@H](n3cc(C)c(=O)[nH]c3=O)O[C@H]2CO)nn1 ZINC001254100521 1073576435 /nfs/dbraw/zinc/57/64/35/1073576435.db2.gz BZXXKKFWARJJFO-SQNIBIBYSA-N 0 0 449.464 -0.447 20 30 IBEDRN C#CCC(Cc1cn(CCOCCOCCOCCO)nn1)(C(=O)OC)C(=O)OC ZINC001254104030 1073576372 /nfs/dbraw/zinc/57/63/72/1073576372.db2.gz CVZLYMLHWCILLF-UHFFFAOYSA-N 0 0 427.454 -0.782 20 30 IBEDRN CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1n1cc(C(C)(C)Oc2ccc(C#N)cc2)nn1 ZINC001254112550 1073579218 /nfs/dbraw/zinc/57/92/18/1073579218.db2.gz QPLSSKCLDNQXDC-WSIUPNEHSA-N 0 0 431.449 -0.420 20 30 IBEDRN Cc1ccc(S(=O)(=O)O[C@H](C)c2cn([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)nn2)cc1 ZINC001254112683 1073579315 /nfs/dbraw/zinc/57/93/15/1073579315.db2.gz SDKBMESWTIMPSL-GLTCMULLSA-N 0 0 429.451 -0.975 20 30 IBEDRN Cc1ccc(S(=O)(=O)O[C@@H](C)c2cn([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)nn2)cc1 ZINC001254112686 1073579148 /nfs/dbraw/zinc/57/91/48/1073579148.db2.gz SDKBMESWTIMPSL-ZVIVSTSESA-N 0 0 429.451 -0.975 20 30 IBEDRN C=CCN(Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)nn1)C(=O)OC(C)(C)C ZINC001254113211 1073579537 /nfs/dbraw/zinc/57/95/37/1073579537.db2.gz XLTNLCPQQMZNCI-WRQOLXDDSA-N 0 0 441.485 -0.683 20 30 IBEDRN C=CCN(Cc1cn(CCO[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)nn1)C(=O)OC(C)(C)C ZINC001254113817 1073580599 /nfs/dbraw/zinc/58/05/99/1073580599.db2.gz UPTMEMNSLJOGBS-OAFZBRQQSA-N 0 0 444.485 -0.981 20 30 IBEDRN Cc1ccc(S(=O)(=O)O[C@H](C)c2cn([C@H]3[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]3O)nn2)cc1 ZINC001254114306 1073580465 /nfs/dbraw/zinc/58/04/65/1073580465.db2.gz QKEJJZFFGREJIR-AQVRVSCUSA-N 0 0 429.451 -0.975 20 30 IBEDRN Cc1ccc(S(=O)(=O)O[C@@H](C)c2cn([C@@H]3[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]3O)nn2)cc1 ZINC001254114307 1073581070 /nfs/dbraw/zinc/58/10/70/1073581070.db2.gz QKEJJZFFGREJIR-GPJUBECRSA-N 0 0 429.451 -0.975 20 30 IBEDRN Cc1ccc(S(=O)(=O)O[C@@H](C)c2cn([C@H]3[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]3O)nn2)cc1 ZINC001254114308 1073580982 /nfs/dbraw/zinc/58/09/82/1073580982.db2.gz QKEJJZFFGREJIR-ICSCMOCLSA-N 0 0 429.451 -0.975 20 30 IBEDRN Cc1ccc(S(=O)(=O)O[C@H](C)c2cn([C@@H]3[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]3O)nn2)cc1 ZINC001254114309 1073581058 /nfs/dbraw/zinc/58/10/58/1073581058.db2.gz QKEJJZFFGREJIR-IJDVMUIZSA-N 0 0 429.451 -0.975 20 30 IBEDRN C#CCOCc1cn([C@@H]2[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](COC(C)=O)O[C@@H]2O)nn1 ZINC001254114327 1073580950 /nfs/dbraw/zinc/58/09/50/1073580950.db2.gz YCOZVOAJCLUJES-SFFUCWETSA-N 0 0 425.394 -0.887 20 30 IBEDRN C#CCOCc1cn([C@H]2[C@H](O)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H]2OC(C)=O)nn1 ZINC001254114328 1073580914 /nfs/dbraw/zinc/58/09/14/1073580914.db2.gz YCOZVOAJCLUJES-UYTYNIKBSA-N 0 0 425.394 -0.887 20 30 IBEDRN C=CCN(Cc1cn(CCO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)nn1)C(=O)OC(C)(C)C ZINC001254114948 1073580970 /nfs/dbraw/zinc/58/09/70/1073580970.db2.gz ASVWUUBPQJDSTG-NQNKBUKLSA-N 0 0 444.485 -0.982 20 30 IBEDRN C#CC[S@@](=O)Cc1cn(CCOCCOCCOCCOCCOCCO)nn1 ZINC001254115060 1073581106 /nfs/dbraw/zinc/58/11/06/1073581106.db2.gz CLTGZQAXSNWCDM-GDLZYMKVSA-N 0 0 433.527 -0.765 20 30 IBEDRN C#CC[S@](=O)Cc1cn(CCOCCOCCOCCOCCOCCO)nn1 ZINC001254115064 1073580956 /nfs/dbraw/zinc/58/09/56/1073580956.db2.gz CLTGZQAXSNWCDM-LJAQVGFWSA-N 0 0 433.527 -0.765 20 30 IBEDRN N#CCc1ccc(-c2cn([C@]3(CO)O[C@@H](n4ccc(=O)[nH]c4=O)[C@H](F)[C@@H]3O)nn2)cc1 ZINC001254115458 1073581081 /nfs/dbraw/zinc/58/10/81/1073581081.db2.gz DAMJQRDBWLVSLS-SFNKJDCFSA-N 0 0 428.380 -0.153 20 30 IBEDRN C#CCN(CC#C)Cc1cn(CCOCCOCCOCCOCCOCCO)nn1 ZINC001254115597 1073581440 /nfs/dbraw/zinc/58/14/40/1073581440.db2.gz JVHSEVFKSLQNDW-UHFFFAOYSA-N 0 0 438.525 -0.578 20 30 IBEDRN C#Cc1cc(C#C)cc(-c2cn(CCOCCOCCC(=O)NC(CO)CO)nn2)c1 ZINC001254115713 1073581580 /nfs/dbraw/zinc/58/15/80/1073581580.db2.gz KNPXJHPVUWXMRG-UHFFFAOYSA-N 0 0 426.473 -0.200 20 30 IBEDRN C=C(C)C(=O)OCc1cn(CCOCCOCCOCCOCCOCCO)nn1 ZINC001254116179 1073581924 /nfs/dbraw/zinc/58/19/24/1073581924.db2.gz RTRYWOYZIZNYCE-UHFFFAOYSA-N 0 0 431.486 -0.027 20 30 IBEDRN C#Cc1cc(C#C)cc(-c2cn([C@]3(CO)O[C@@H](n4ccc(=O)[nH]c4=O)[C@H](F)[C@@H]3O)nn2)c1 ZINC001254116708 1073581982 /nfs/dbraw/zinc/58/19/82/1073581982.db2.gz PYLPDFYETCIXDK-RCLSDMTESA-N 0 0 437.387 -0.257 20 30 IBEDRN C#CCC(Cc1cn(CCOCCOCCOCCCO)nn1)(C(=O)OC)C(=O)OC ZINC001254118130 1073582474 /nfs/dbraw/zinc/58/24/74/1073582474.db2.gz SAACFODFXJOIHJ-UHFFFAOYSA-N 0 0 441.481 -0.392 20 30 IBEDRN O=C(ON1C(=O)CCC1=O)c1ccc(-n2cc(CN3CCS(=O)(=O)CC3)nn2)cc1O ZINC001254164543 1073583379 /nfs/dbraw/zinc/58/33/79/1073583379.db2.gz WIQDAVBXRJDMCD-UHFFFAOYSA-N 0 0 449.445 -0.576 20 30 IBEDRN COC(=O)C(Cc1cn(-c2ccc(C(=O)ON3C(=O)CCC3=O)c(O)c2)nn1)C(=O)OC ZINC001254164603 1073583580 /nfs/dbraw/zinc/58/35/80/1073583580.db2.gz ZBXFPYGEZTVEFZ-UHFFFAOYSA-N 0 0 446.372 -0.302 20 30 IBEDRN CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](N[C@@H]1CCCOC1)C(=O)OCC ZINC001254372053 1073586486 /nfs/dbraw/zinc/58/64/86/1073586486.db2.gz GHNJJKSYGRHXCQ-ILXRZTDVSA-N 0 0 447.554 -0.439 20 30 IBEDRN CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](N[C@H]1CCCOC1)C(=O)OCC ZINC001254372060 1073586473 /nfs/dbraw/zinc/58/64/73/1073586473.db2.gz GHNJJKSYGRHXCQ-KKUMJFAQSA-N 0 0 447.554 -0.439 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC001254400124 1073586226 /nfs/dbraw/zinc/58/62/26/1073586226.db2.gz RCLVAOZXRXPJLJ-HNNXBMFYSA-N 0 0 442.563 -0.012 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC001254400125 1073586374 /nfs/dbraw/zinc/58/63/74/1073586374.db2.gz RCLVAOZXRXPJLJ-OAHLLOKOSA-N 0 0 442.563 -0.012 20 30 IBEDRN CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](NC1CCOCC1)C(=O)OCC ZINC001255037214 1073592995 /nfs/dbraw/zinc/59/29/95/1073592995.db2.gz XIVVNAPGXJBBIR-GJZGRUSLSA-N 0 0 447.554 -0.439 20 30 IBEDRN CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](N[C@H]1CCSC1)C(=O)OCC ZINC001255278945 1073594512 /nfs/dbraw/zinc/59/45/12/1073594512.db2.gz KXGLOMXOAFHVPF-IHRRRGAJSA-N 0 0 449.595 -0.113 20 30 IBEDRN CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](N[C@@H]1CCSC1)C(=O)OCC ZINC001255278953 1073594641 /nfs/dbraw/zinc/59/46/41/1073594641.db2.gz KXGLOMXOAFHVPF-RDBSUJKOSA-N 0 0 449.595 -0.113 20 30 IBEDRN CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](N[C@@H](C)COC)C(=O)OCC ZINC001255565525 1073596660 /nfs/dbraw/zinc/59/66/60/1073596660.db2.gz RYTYQKSHWXCGBG-IHRRRGAJSA-N 0 0 435.543 -0.583 20 30 IBEDRN CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](N[C@H](C)COC)C(=O)OCC ZINC001255565526 1073596874 /nfs/dbraw/zinc/59/68/74/1073596874.db2.gz RYTYQKSHWXCGBG-RDBSUJKOSA-N 0 0 435.543 -0.583 20 30 IBEDRN Cn1cc(-c2ccc(C=c3sc(=C(C#N)C(=O)NC4CC4)n(CC(N)=O)c3=O)cc2)cn1 ZINC001256376442 1073604011 /nfs/dbraw/zinc/60/40/11/1073604011.db2.gz BZBNAPVUYMYGRS-UHFFFAOYSA-N 0 0 448.508 -0.423 20 30 IBEDRN N#Cc1ccc(C2CCC([NH2+][C@H]3[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]3O)CC2)cc1 ZINC001257013332 1073609093 /nfs/dbraw/zinc/60/90/93/1073609093.db2.gz DCKILXSRVRPPIS-TZUSGKDYSA-N 0 0 442.490 -0.199 20 30 IBEDRN N#Cc1ccc(C2CCC([NH2+][C@@H]3[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]3O)CC2)cc1 ZINC001257013337 1073609077 /nfs/dbraw/zinc/60/90/77/1073609077.db2.gz DCKILXSRVRPPIS-ZZYSVPOESA-N 0 0 442.490 -0.199 20 30 IBEDRN C=C[C@@H]1C[C@]1([NH2+][C@@H](C)CCS(=O)(=O)CCC(=O)OC)C(=O)[N-]S(=O)(=O)C1CC1 ZINC001257919744 1073613996 /nfs/dbraw/zinc/61/39/96/1073613996.db2.gz GLIKTYUBOWSTKB-OGHNNQOOSA-N 0 0 436.552 -0.114 20 30 IBEDRN C=C[C@@H]1C[C@]1([NH2+][C@H](C)CCS(=O)(=O)CCC(=O)OC)C(=O)[N-]S(=O)(=O)C1CC1 ZINC001257919752 1073613874 /nfs/dbraw/zinc/61/38/74/1073613874.db2.gz GLIKTYUBOWSTKB-PBFPGSCMSA-N 0 0 436.552 -0.114 20 30 IBEDRN C#CCNc1nc(N2CCCN(C(=O)OC)CC2)nc(N2CCCN(C(=O)OC)CC2)n1 ZINC001258055657 1073616866 /nfs/dbraw/zinc/61/68/66/1073616866.db2.gz MQHAXBRLIIJUAT-UHFFFAOYSA-N 0 0 446.512 -0.104 20 30 IBEDRN COCC(=O)NCc1cc(=O)n2c(n1)CN(S(=O)(=O)c1ccc(C#N)cc1)CCC2 ZINC001258062043 1073617021 /nfs/dbraw/zinc/61/70/21/1073617021.db2.gz DLRQKOAGFFEYRI-UHFFFAOYSA-N 0 0 431.474 -0.028 20 30 IBEDRN CC(C)C[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC(N)=O ZINC001258089208 1073616757 /nfs/dbraw/zinc/61/67/57/1073616757.db2.gz GVIKQWQFBUPVHJ-IRXDYDNUSA-N 0 0 449.533 -0.156 20 30 IBEDRN C#CCNc1nc(N2CCC3(CNC(=O)C3)CC2)nc(N2CCC3(CNC(=O)C3)CC2)n1 ZINC001258098584 1073616944 /nfs/dbraw/zinc/61/69/44/1073616944.db2.gz VEQZUYCIPUZZRT-UHFFFAOYSA-N 0 0 438.536 -0.448 20 30 IBEDRN N#Cc1ccc(S(=O)(=O)Nc2ccc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc2)cc1 ZINC001258131919 1073617718 /nfs/dbraw/zinc/61/77/18/1073617718.db2.gz DHORZQILGFVYDU-ICBNADEASA-N 0 0 436.442 -0.462 20 30 IBEDRN N#Cc1ccc(S(=O)(=O)Nc2ccc(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)cc2)cc1 ZINC001258135684 1073617603 /nfs/dbraw/zinc/61/76/03/1073617603.db2.gz DHORZQILGFVYDU-GFEQUFNTSA-N 0 0 436.442 -0.462 20 30 IBEDRN N#Cc1ccc(S(=O)(=O)NCCOCCOCCOCCOCCOCCO)cc1 ZINC001258163263 1073617642 /nfs/dbraw/zinc/61/76/42/1073617642.db2.gz LSMLJTBYRIKQKR-UHFFFAOYSA-N 0 0 446.522 -0.088 20 30 IBEDRN C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NS(=O)(=O)c1ccc(C#N)cc1)C(N)=O ZINC001258185219 1073617514 /nfs/dbraw/zinc/61/75/14/1073617514.db2.gz NSTLLSTVZNUVJP-UUWFMWQGSA-N 0 0 446.485 -0.496 20 30 IBEDRN N#Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CO)C(N)=O)cc1 ZINC001258185621 1073618371 /nfs/dbraw/zinc/61/83/71/1073618371.db2.gz YGSNZIPVJUDYRB-IRXDYDNUSA-N 0 0 432.458 -0.884 20 30 IBEDRN COCC(=O)NCc1cc(=O)n2c(n1)CN(S(=O)(=O)c1ccccc1C#N)CCC2 ZINC001258225969 1073618393 /nfs/dbraw/zinc/61/83/93/1073618393.db2.gz LIOWNGWWYZHXJK-UHFFFAOYSA-N 0 0 431.474 -0.028 20 30 IBEDRN CC(C)C[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1C#N)C(=O)NCC(N)=O ZINC001258243275 1073618350 /nfs/dbraw/zinc/61/83/50/1073618350.db2.gz FYGRKMHDZAIPIE-HOTGVXAUSA-N 0 0 449.533 -0.156 20 30 IBEDRN N#Cc1ccccc1S(=O)(=O)NCCOCCOCCOCCOCCOCCO ZINC001258313038 1073618359 /nfs/dbraw/zinc/61/83/59/1073618359.db2.gz UPKBHDFOGLXBBU-UHFFFAOYSA-N 0 0 446.522 -0.088 20 30 IBEDRN N#Cc1ccccc1S(=O)(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(N)=O ZINC001258334531 1073618323 /nfs/dbraw/zinc/61/83/23/1073618323.db2.gz BQIJGYGCEHAIRB-HOTGVXAUSA-N 0 0 432.458 -0.884 20 30 IBEDRN C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NS(=O)(=O)c1ccccc1C#N)C(N)=O ZINC001258334586 1073618400 /nfs/dbraw/zinc/61/84/00/1073618400.db2.gz CPURWPMHUMTPLL-PUECVXPYSA-N 0 0 446.485 -0.496 20 30 IBEDRN Cc1cn(CC(=O)NCCNS(=O)(=O)c2ccc(C#N)cc2Cl)c(=O)[nH]c1=O ZINC001259115280 1073624547 /nfs/dbraw/zinc/62/45/47/1073624547.db2.gz HLKSSTHYOXFEJE-UHFFFAOYSA-N 0 0 425.854 -0.123 20 30 IBEDRN N#Cc1ccc(S(=O)(=O)N[C@H]2[C@H](n3ccc(=O)[nH]c3=O)O[C@H](CO)[C@H]2O)c(Cl)c1 ZINC001259115332 1073624642 /nfs/dbraw/zinc/62/46/42/1073624642.db2.gz KJEUCWDMZUDRLN-JUDXGUMMSA-N 0 0 442.837 -0.928 20 30 IBEDRN N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2C(=O)NCC(N)=O)c(Cl)c1 ZINC001259117309 1073624653 /nfs/dbraw/zinc/62/46/53/1073624653.db2.gz ZQIDKNKYAWXKIQ-LBPRGKRZSA-N 0 0 427.870 -0.918 20 30 IBEDRN COCC(=O)NCc1cc(=O)n2c(n1)CN(S(=O)(=O)c1cccc(C#N)c1)CCC2 ZINC001259120394 1073624608 /nfs/dbraw/zinc/62/46/08/1073624608.db2.gz UODHAIMVHQEVJQ-UHFFFAOYSA-N 0 0 431.474 -0.028 20 30 IBEDRN CC(C)C[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc(C#N)c1)C(=O)NCC(N)=O ZINC001259120835 1073624478 /nfs/dbraw/zinc/62/44/78/1073624478.db2.gz ABHJEQCBMQMQCR-IRXDYDNUSA-N 0 0 449.533 -0.156 20 30 IBEDRN N#Cc1cccc(S(=O)(=O)Nc2ccc(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)cc2)c1 ZINC001259125572 1073624501 /nfs/dbraw/zinc/62/45/01/1073624501.db2.gz JNCPTLNGFQWSLX-GFEQUFNTSA-N 0 0 436.442 -0.462 20 30 IBEDRN N#Cc1cccc(S(=O)(=O)Nc2ccc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc2)c1 ZINC001259125573 1073624602 /nfs/dbraw/zinc/62/46/02/1073624602.db2.gz JNCPTLNGFQWSLX-ICBNADEASA-N 0 0 436.442 -0.462 20 30 IBEDRN N#Cc1cccc(S(=O)(=O)NCCOCCOCCOCCOCCOCCO)c1 ZINC001259127669 1073624681 /nfs/dbraw/zinc/62/46/81/1073624681.db2.gz XPLQLCUDXHZXLX-UHFFFAOYSA-N 0 0 446.522 -0.088 20 30 IBEDRN C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NS(=O)(=O)c1cccc(C#N)c1)C(N)=O ZINC001259129743 1073624454 /nfs/dbraw/zinc/62/44/54/1073624454.db2.gz JTPTUCJEQPHZPO-UUWFMWQGSA-N 0 0 446.485 -0.496 20 30 IBEDRN N#Cc1cccc(S(=O)(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CO)C(N)=O)c1 ZINC001259129877 1073624636 /nfs/dbraw/zinc/62/46/36/1073624636.db2.gz XSXBTTYPCKZHOR-IRXDYDNUSA-N 0 0 432.458 -0.884 20 30 IBEDRN COC(=O)[C@H](CCCCNS(=O)(=O)c1ccc(F)c(C#N)c1)NC(=O)CNC(C)=O ZINC001259422939 1073628470 /nfs/dbraw/zinc/62/84/70/1073628470.db2.gz NGEFTPRHVMNNPO-INIZCTEOSA-N 0 0 442.469 -0.060 20 30 IBEDRN COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(F)c(C#N)c1 ZINC001259423070 1073628517 /nfs/dbraw/zinc/62/85/17/1073628517.db2.gz RNECSTRGHRWUCH-DCAQKATOSA-N 0 0 428.442 -0.453 20 30 IBEDRN N#Cc1cc(S(=O)(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)ccc1F ZINC001259423145 1073628437 /nfs/dbraw/zinc/62/84/37/1073628437.db2.gz USIBTVSOKFNDEO-IRXDYDNUSA-N 0 0 434.449 -0.451 20 30 IBEDRN CCOC(=O)[C@H](CS)NS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001259628620 1073632644 /nfs/dbraw/zinc/63/26/44/1073632644.db2.gz PLBKZBSPAPDTBZ-AWEZNQCLSA-N 0 0 438.549 -0.153 20 30 IBEDRN C#CCOCCOCCNS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001259630335 1073634327 /nfs/dbraw/zinc/63/43/27/1073634327.db2.gz ONSPIIFOXSOZGA-UHFFFAOYSA-N 0 0 432.520 -0.348 20 30 IBEDRN CN1CCC(C#N)(NS(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 ZINC001259630955 1073634429 /nfs/dbraw/zinc/63/44/29/1073634429.db2.gz QFNPTGGCRWQHQZ-UHFFFAOYSA-N 0 0 428.536 -0.026 20 30 IBEDRN CC(C)C[C@H](NS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)C(=O)NO ZINC001259631344 1073634476 /nfs/dbraw/zinc/63/44/76/1073634476.db2.gz OTBJLFBPSOCJDH-HNNXBMFYSA-N 0 0 435.524 -0.094 20 30 IBEDRN CC[C@H](C)[C@H](NS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)C(=O)NO ZINC001259631452 1073634359 /nfs/dbraw/zinc/63/43/59/1073634359.db2.gz RMLREBLUOPXEJJ-WFASDCNBSA-N 0 0 435.524 -0.094 20 30 IBEDRN C=CCS(=O)(=O)N1CC[C@H]2N(S(C)(=O)=O)CC[C@@]2(C(=O)N2CCOCC2)CC1 ZINC001259925357 1073638895 /nfs/dbraw/zinc/63/88/95/1073638895.db2.gz YGWFATMATSUDPB-WBVHZDCISA-N 0 0 435.568 -0.523 20 30 IBEDRN C=CCS(=O)(=O)NCCOCCOCCOCCOCCOCCOCCOC ZINC001259936769 1073638999 /nfs/dbraw/zinc/63/89/99/1073638999.db2.gz MGUPMUKGXDQQMD-UHFFFAOYSA-N 0 0 443.559 -0.162 20 30 IBEDRN N#Cc1ccc(CS(=O)(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)cc1 ZINC001260049280 1073640245 /nfs/dbraw/zinc/64/02/45/1073640245.db2.gz AFOLGZYKCVZSDF-ROUUACIJSA-N 0 0 430.486 -0.449 20 30 IBEDRN N#Cc1ccc(CS(=O)(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CO)C(N)=O)cc1 ZINC001260049292 1073640185 /nfs/dbraw/zinc/64/01/85/1073640185.db2.gz ASTBJFKQKSUJHX-ROUUACIJSA-N 0 0 446.485 -0.743 20 30 IBEDRN COC(=O)[C@H](CCCCNS(=O)(=O)Cc1ccc(C#N)cc1)NC(=O)CNC(C)=O ZINC001260049686 1073640197 /nfs/dbraw/zinc/64/01/97/1073640197.db2.gz ULHRIAXMHJJUNY-KRWDZBQOSA-N 0 0 438.506 -0.058 20 30 IBEDRN Cn1c(=O)cc(N2CCC[C@@H](NS(N)(=O)=O)C2)n(Cc2cc(F)ccc2C#N)c1=O ZINC001260084156 1073640708 /nfs/dbraw/zinc/64/07/08/1073640708.db2.gz YOPKVMHZRPCSLW-OAHLLOKOSA-N 0 0 436.469 -0.632 20 30 IBEDRN Cc1c2c(c(C)c(S(=O)(=O)N[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO)c1C)CC(C)(C)O2 ZINC001260247781 1073644616 /nfs/dbraw/zinc/64/46/16/1073644616.db2.gz YLRXHCUQXRYLQR-ZJIFWQFVSA-N 0 0 431.507 -0.754 20 30 IBEDRN O=C[C@H](NS(=O)(=O)c1cc(Br)c(Cl)s1)[C@@H](O)[C@H](O)[C@H](O)CO ZINC001260492482 1073646514 /nfs/dbraw/zinc/64/65/14/1073646514.db2.gz FEQATUWRGMWXEM-HIORRCEOSA-N 0 0 438.705 -0.915 20 30 IBEDRN CS(=O)(=O)CS(=O)(=O)N1CCOC[C@@]2(CN(c3ccc(C#N)cc3)C(=O)CO2)C1 ZINC001260585705 1073648699 /nfs/dbraw/zinc/64/86/99/1073648699.db2.gz IZYVWXUQTFRSBT-KRWDZBQOSA-N 0 0 443.503 -0.676 20 30 IBEDRN CS(=O)(=O)CS(=O)(=O)N1CCOC[C@]2(CN(c3ccc(C#N)cc3)C(=O)CO2)C1 ZINC001260585712 1073648707 /nfs/dbraw/zinc/64/87/07/1073648707.db2.gz IZYVWXUQTFRSBT-QGZVFWFLSA-N 0 0 443.503 -0.676 20 30 IBEDRN CCOC(=O)c1cc(C#N)c(C)nc1N1CCN(S(=O)(=O)CS(C)(=O)=O)CC1 ZINC001260588471 1073649933 /nfs/dbraw/zinc/64/99/33/1073649933.db2.gz KWEDVOJILZMFEB-UHFFFAOYSA-N 0 0 430.508 -0.108 20 30 IBEDRN Cn1cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CC(N)=O)c2=O)c(C(F)F)n1 ZINC001261210985 1073657665 /nfs/dbraw/zinc/65/76/65/1073657665.db2.gz GPRAWSXCFLKXLA-UHFFFAOYSA-N 0 0 436.444 -0.808 20 30 IBEDRN COC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 ZINC001262648989 1073660324 /nfs/dbraw/zinc/66/03/24/1073660324.db2.gz VSYWTVPZUWYDRB-AAEUAGOBSA-N 0 0 443.503 -0.698 20 30 IBEDRN COC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 ZINC001262648990 1073660386 /nfs/dbraw/zinc/66/03/86/1073660386.db2.gz VSYWTVPZUWYDRB-YPMHNXCESA-N 0 0 443.503 -0.698 20 30 IBEDRN N#C[C@H](C(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)C(=O)N1CCS(=O)(=O)CC1 ZINC001263290286 1073661032 /nfs/dbraw/zinc/66/10/32/1073661032.db2.gz JZXRFANIMHDKRE-DHMWGJHJSA-N 0 0 428.536 -0.322 20 30 IBEDRN N#C[C@H](C(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]21)C(=O)N1CCS(=O)(=O)CC1 ZINC001263290287 1073661080 /nfs/dbraw/zinc/66/10/80/1073661080.db2.gz JZXRFANIMHDKRE-PAPYEOQZSA-N 0 0 428.536 -0.322 20 30 IBEDRN N#C[C@H](C(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]12)C(=O)N1CCS(=O)(=O)CC1 ZINC001263290288 1073661039 /nfs/dbraw/zinc/66/10/39/1073661039.db2.gz JZXRFANIMHDKRE-RJZRQDKASA-N 0 0 428.536 -0.322 20 30 IBEDRN N#C[C@H](C(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]12)C(=O)N1CCS(=O)(=O)CC1 ZINC001263290289 1073661068 /nfs/dbraw/zinc/66/10/68/1073661068.db2.gz JZXRFANIMHDKRE-UXOAXIEHSA-N 0 0 428.536 -0.322 20 30 IBEDRN C#C[C@H]1COCCN1C(=O)CCC(=O)N(CCOC)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC001275550279 1074486413 /nfs/dbraw/zinc/48/64/13/1074486413.db2.gz ZOCJMPSUQLRKQE-HNNXBMFYSA-N 0 0 449.508 -0.193 20 30 IBEDRN C#C[C@@H]1COCCN1C(=O)CCC(=O)N(CCOC)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC001275550281 1074486588 /nfs/dbraw/zinc/48/65/88/1074486588.db2.gz ZOCJMPSUQLRKQE-OAHLLOKOSA-N 0 0 449.508 -0.193 20 30 IBEDRN C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CC(=O)N(CCOC)C1 ZINC001286272303 1073664271 /nfs/dbraw/zinc/66/42/71/1073664271.db2.gz AYANQLDMVGPHBL-KKUMJFAQSA-N 0 0 426.543 -0.159 20 30 IBEDRN C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CC(=O)N(CCOC)C1 ZINC001286272306 1073664201 /nfs/dbraw/zinc/66/42/01/1073664201.db2.gz AYANQLDMVGPHBL-RRFJBIMHSA-N 0 0 426.543 -0.159 20 30 IBEDRN C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CC(=O)N(CCOC)C1 ZINC001286272307 1073664106 /nfs/dbraw/zinc/66/41/06/1073664106.db2.gz AYANQLDMVGPHBL-SOUVJXGZSA-N 0 0 426.543 -0.159 20 30 IBEDRN C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CC(=O)N(CCOC)C1 ZINC001286272308 1073664236 /nfs/dbraw/zinc/66/42/36/1073664236.db2.gz AYANQLDMVGPHBL-ZNMIVQPWSA-N 0 0 426.543 -0.159 20 30 IBEDRN C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(O)CCS(=O)(=O)CC1 ZINC001286272355 1073664084 /nfs/dbraw/zinc/66/40/84/1073664084.db2.gz BQVZQIAPWVYTCG-CHWSQXEVSA-N 0 0 433.556 -0.714 20 30 IBEDRN C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(O)CCS(=O)(=O)CC1 ZINC001286272358 1073664074 /nfs/dbraw/zinc/66/40/74/1073664074.db2.gz BQVZQIAPWVYTCG-OLZOCXBDSA-N 0 0 433.556 -0.714 20 30 IBEDRN C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(O)CCS(=O)(=O)CC1 ZINC001286272359 1073664091 /nfs/dbraw/zinc/66/40/91/1073664091.db2.gz BQVZQIAPWVYTCG-QWHCGFSZSA-N 0 0 433.556 -0.714 20 30 IBEDRN C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(O)CCS(=O)(=O)CC1 ZINC001286272360 1073664020 /nfs/dbraw/zinc/66/40/20/1073664020.db2.gz BQVZQIAPWVYTCG-STQMWFEESA-N 0 0 433.556 -0.714 20 30 IBEDRN C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001286297997 1073663979 /nfs/dbraw/zinc/66/39/79/1073663979.db2.gz DWYPULDKIMEBIX-KKUMJFAQSA-N 0 0 429.568 -0.080 20 30 IBEDRN C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001286297999 1073664194 /nfs/dbraw/zinc/66/41/94/1073664194.db2.gz DWYPULDKIMEBIX-RRFJBIMHSA-N 0 0 429.568 -0.080 20 30 IBEDRN C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001286298001 1073664134 /nfs/dbraw/zinc/66/41/34/1073664134.db2.gz DWYPULDKIMEBIX-SOUVJXGZSA-N 0 0 429.568 -0.080 20 30 IBEDRN C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001286298003 1073664210 /nfs/dbraw/zinc/66/42/10/1073664210.db2.gz DWYPULDKIMEBIX-ZNMIVQPWSA-N 0 0 429.568 -0.080 20 30 IBEDRN C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(S(C)(=O)=O)CC1 ZINC001286317368 1073664147 /nfs/dbraw/zinc/66/41/47/1073664147.db2.gz OZYTVYCJPQWLDM-AWEZNQCLSA-N 0 0 432.572 -0.227 20 30 IBEDRN C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(S(C)(=O)=O)CC1 ZINC001286317375 1073664736 /nfs/dbraw/zinc/66/47/36/1073664736.db2.gz OZYTVYCJPQWLDM-CQSZACIVSA-N 0 0 432.572 -0.227 20 30 IBEDRN C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC001286335077 1073664776 /nfs/dbraw/zinc/66/47/76/1073664776.db2.gz DJUZUWZURDNWRQ-UHFFFAOYSA-N 0 0 427.509 -0.145 20 30 IBEDRN C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 ZINC001286336620 1073664820 /nfs/dbraw/zinc/66/48/20/1073664820.db2.gz VIJALIZAHFWPLR-UHFFFAOYSA-N 0 0 443.512 -0.704 20 30 IBEDRN C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC001286347610 1073664692 /nfs/dbraw/zinc/66/46/92/1073664692.db2.gz PIPPKGWIDRGTLG-INIZCTEOSA-N 0 0 443.508 -0.850 20 30 IBEDRN C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC001286347632 1073664834 /nfs/dbraw/zinc/66/48/34/1073664834.db2.gz PIPPKGWIDRGTLG-MRXNPFEDSA-N 0 0 443.508 -0.850 20 30 IBEDRN C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H]2NC(=O)CC[C@H]2C1 ZINC001286349805 1073664678 /nfs/dbraw/zinc/66/46/78/1073664678.db2.gz OWIZGVYKKKLDNM-JYJNAYRXSA-N 0 0 436.538 -0.261 20 30 IBEDRN C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H]2CCC(=O)N[C@@H]2C1 ZINC001286349806 1073664612 /nfs/dbraw/zinc/66/46/12/1073664612.db2.gz OWIZGVYKKKLDNM-OAGGEKHMSA-N 0 0 436.538 -0.261 20 30 IBEDRN C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 ZINC001286349807 1073664650 /nfs/dbraw/zinc/66/46/50/1073664650.db2.gz OWIZGVYKKKLDNM-PMPSAXMXSA-N 0 0 436.538 -0.261 20 30 IBEDRN C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 ZINC001286349808 1073664721 /nfs/dbraw/zinc/66/47/21/1073664721.db2.gz OWIZGVYKKKLDNM-XHSDSOJGSA-N 0 0 436.538 -0.261 20 30 IBEDRN C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC(=O)NC(C)(C)C ZINC001286375934 1073664727 /nfs/dbraw/zinc/66/47/27/1073664727.db2.gz AQIGDIYMOYQGGJ-AWEZNQCLSA-N 0 0 426.543 -0.015 20 30 IBEDRN C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC(=O)NC(C)(C)C ZINC001286375935 1073664634 /nfs/dbraw/zinc/66/46/34/1073664634.db2.gz AQIGDIYMOYQGGJ-CQSZACIVSA-N 0 0 426.543 -0.015 20 30 IBEDRN C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCN(C(C)=O)C1 ZINC001286376254 1073664764 /nfs/dbraw/zinc/66/47/64/1073664764.db2.gz IKKCWONEZOOBIP-DLBZAZTESA-N 0 0 438.554 -0.061 20 30 IBEDRN C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCN(C(C)=O)C1 ZINC001286376255 1073664797 /nfs/dbraw/zinc/66/47/97/1073664797.db2.gz IKKCWONEZOOBIP-IAGOWNOFSA-N 0 0 438.554 -0.061 20 30 IBEDRN C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCN(C(C)=O)C1 ZINC001286376256 1073664705 /nfs/dbraw/zinc/66/47/05/1073664705.db2.gz IKKCWONEZOOBIP-IRXDYDNUSA-N 0 0 438.554 -0.061 20 30 IBEDRN C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCN(C(C)=O)C1 ZINC001286376257 1073664599 /nfs/dbraw/zinc/66/45/99/1073664599.db2.gz IKKCWONEZOOBIP-SJORKVTESA-N 0 0 438.554 -0.061 20 30 IBEDRN C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCS(=O)(=O)CC1 ZINC001286376404 1073664576 /nfs/dbraw/zinc/66/45/76/1073664576.db2.gz KURCSTLYICCMIZ-HNNXBMFYSA-N 0 0 445.567 -0.495 20 30 IBEDRN C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCS(=O)(=O)CC1 ZINC001286376406 1073664715 /nfs/dbraw/zinc/66/47/15/1073664715.db2.gz KURCSTLYICCMIZ-OAHLLOKOSA-N 0 0 445.567 -0.495 20 30 IBEDRN C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C(N)=O)c1 ZINC001286376482 1073664667 /nfs/dbraw/zinc/66/46/67/1073664667.db2.gz LMBHQVXRQRFNOK-INIZCTEOSA-N 0 0 432.506 -0.172 20 30 IBEDRN C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C(N)=O)c1 ZINC001286376488 1073664657 /nfs/dbraw/zinc/66/46/57/1073664657.db2.gz LMBHQVXRQRFNOK-MRXNPFEDSA-N 0 0 432.506 -0.172 20 30 IBEDRN C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1CCOCC1 ZINC001286376794 1073664746 /nfs/dbraw/zinc/66/47/46/1073664746.db2.gz NYJXNDDXEVVKCG-INIZCTEOSA-N 0 0 426.543 -0.597 20 30 IBEDRN C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1CCOCC1 ZINC001286376797 1073665352 /nfs/dbraw/zinc/66/53/52/1073665352.db2.gz NYJXNDDXEVVKCG-MRXNPFEDSA-N 0 0 426.543 -0.597 20 30 IBEDRN C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCO[C@@H]1CCOC1 ZINC001286377478 1073665400 /nfs/dbraw/zinc/66/54/00/1073665400.db2.gz XVRLSYWAQWMLRP-CVEARBPZSA-N 0 0 427.527 -0.124 20 30 IBEDRN C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCO[C@H]1CCOC1 ZINC001286377479 1073665470 /nfs/dbraw/zinc/66/54/70/1073665470.db2.gz XVRLSYWAQWMLRP-HOTGVXAUSA-N 0 0 427.527 -0.124 20 30 IBEDRN C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCO[C@@H]1CCOC1 ZINC001286377480 1073665438 /nfs/dbraw/zinc/66/54/38/1073665438.db2.gz XVRLSYWAQWMLRP-HZPDHXFCSA-N 0 0 427.527 -0.124 20 30 IBEDRN C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCO[C@H]1CCOC1 ZINC001286377481 1073665322 /nfs/dbraw/zinc/66/53/22/1073665322.db2.gz XVRLSYWAQWMLRP-JKSUJKDBSA-N 0 0 427.527 -0.124 20 30 IBEDRN C#CCN(c1nnc(C(=O)N2CCCC2)n1CCCn1ccnn1)[C@H]1CCS(=O)(=O)C1 ZINC001286379708 1073665463 /nfs/dbraw/zinc/66/54/63/1073665463.db2.gz BCQXSLRMSNATKA-INIZCTEOSA-N 0 0 446.537 -0.177 20 30 IBEDRN C#CCN(c1nnc(C(=O)N2CCCC2)n1CCCn1ccnn1)[C@@H]1CCS(=O)(=O)C1 ZINC001286379709 1073665339 /nfs/dbraw/zinc/66/53/39/1073665339.db2.gz BCQXSLRMSNATKA-MRXNPFEDSA-N 0 0 446.537 -0.177 20 30 IBEDRN C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC001286379784 1073665367 /nfs/dbraw/zinc/66/53/67/1073665367.db2.gz CBHIACYZULGZPB-HUUCEWRRSA-N 0 0 425.511 -0.542 20 30 IBEDRN C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 ZINC001286379785 1073665306 /nfs/dbraw/zinc/66/53/06/1073665306.db2.gz CBHIACYZULGZPB-LSDHHAIUSA-N 0 0 425.511 -0.542 20 30 IBEDRN C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1nncn1CC)[C@H]1CCS(=O)(=O)C1 ZINC001286379825 1073665449 /nfs/dbraw/zinc/66/54/49/1073665449.db2.gz CPCKXXHPXGODEV-HNNXBMFYSA-N 0 0 446.537 -0.200 20 30 IBEDRN C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1nncn1CC)[C@@H]1CCS(=O)(=O)C1 ZINC001286379827 1073665513 /nfs/dbraw/zinc/66/55/13/1073665513.db2.gz CPCKXXHPXGODEV-OAHLLOKOSA-N 0 0 446.537 -0.200 20 30 IBEDRN C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@]1(O)CCSC1)[C@H]1CCS(=O)(=O)C1 ZINC001286379972 1073665386 /nfs/dbraw/zinc/66/53/86/1073665386.db2.gz FNXZSAVFDXGMAV-KBXCAEBGSA-N 0 0 441.579 -0.089 20 30 IBEDRN C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@]1(O)CCSC1)[C@@H]1CCS(=O)(=O)C1 ZINC001286379977 1073665521 /nfs/dbraw/zinc/66/55/21/1073665521.db2.gz FNXZSAVFDXGMAV-KDOFPFPSSA-N 0 0 441.579 -0.089 20 30 IBEDRN C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@]1(O)CCSC1)[C@H]1CCS(=O)(=O)C1 ZINC001286379979 1073665505 /nfs/dbraw/zinc/66/55/05/1073665505.db2.gz FNXZSAVFDXGMAV-KSSFIOAISA-N 0 0 441.579 -0.089 20 30 IBEDRN C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@]1(O)CCSC1)[C@@H]1CCS(=O)(=O)C1 ZINC001286379982 1073665376 /nfs/dbraw/zinc/66/53/76/1073665376.db2.gz FNXZSAVFDXGMAV-RDTXWAMCSA-N 0 0 441.579 -0.089 20 30 IBEDRN C#CCN(c1nnc(C(=O)N2CCCC2)n1CCC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 ZINC001286382005 1073665425 /nfs/dbraw/zinc/66/54/25/1073665425.db2.gz QBUDPZJZKAOHBH-HNNXBMFYSA-N 0 0 436.538 -0.381 20 30 IBEDRN C#CCN(c1nnc(C(=O)N2CCCC2)n1CCC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001286382009 1073665296 /nfs/dbraw/zinc/66/52/96/1073665296.db2.gz QBUDPZJZKAOHBH-OAHLLOKOSA-N 0 0 436.538 -0.381 20 30 IBEDRN C#CCN(c1nnc(C(=O)NC(C)C)n1CCCn1ccnn1)[C@H]1CCS(=O)(=O)C1 ZINC001286382677 1073665279 /nfs/dbraw/zinc/66/52/79/1073665279.db2.gz SYQJQJAKBCKSSW-HNNXBMFYSA-N 0 0 434.526 -0.275 20 30 IBEDRN C#CCN(c1nnc(C(=O)NC(C)C)n1CCCn1ccnn1)[C@@H]1CCS(=O)(=O)C1 ZINC001286382683 1073665977 /nfs/dbraw/zinc/66/59/77/1073665977.db2.gz SYQJQJAKBCKSSW-OAHLLOKOSA-N 0 0 434.526 -0.275 20 30 IBEDRN C#CCN(c1nnc(C(=O)NC(C)C)n1CCC(=O)NCCC)[C@H]1CCS(=O)(=O)C1 ZINC001286383580 1073665993 /nfs/dbraw/zinc/66/59/93/1073665993.db2.gz YATLPIHMJRRZOU-HNNXBMFYSA-N 0 0 438.554 -0.041 20 30 IBEDRN C#CCN(c1nnc(C(=O)NC(C)C)n1CCC(=O)NCCC)[C@@H]1CCS(=O)(=O)C1 ZINC001286383582 1073666013 /nfs/dbraw/zinc/66/60/13/1073666013.db2.gz YATLPIHMJRRZOU-OAHLLOKOSA-N 0 0 438.554 -0.041 20 30 IBEDRN C#CCN(c1nnc(C(=O)NC(C)C)n1CCNC(=O)C(C)C)[C@H]1CCS(=O)(=O)C1 ZINC001286383695 1073665980 /nfs/dbraw/zinc/66/59/80/1073665980.db2.gz YYLVKWFECCTJRK-HNNXBMFYSA-N 0 0 438.554 -0.185 20 30 IBEDRN C#CCN(c1nnc(C(=O)NC(C)C)n1CCNC(=O)C(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001286383704 1073666053 /nfs/dbraw/zinc/66/60/53/1073666053.db2.gz YYLVKWFECCTJRK-OAHLLOKOSA-N 0 0 438.554 -0.185 20 30 IBEDRN C#CCN(c1nnc([C@@H](C)OCCOC)n1CC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 ZINC001286385520 1073665967 /nfs/dbraw/zinc/66/59/67/1073665967.db2.gz NQBWKSQPZWOWMM-CABCVRRESA-N 0 0 427.527 -0.283 20 30 IBEDRN C#CCN(c1nnc([C@H](C)OCCOC)n1CC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 ZINC001286385521 1073666033 /nfs/dbraw/zinc/66/60/33/1073666033.db2.gz NQBWKSQPZWOWMM-GJZGRUSLSA-N 0 0 427.527 -0.283 20 30 IBEDRN C#CCN(c1nnc([C@@H](C)OCCOC)n1CC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001286385523 1073666045 /nfs/dbraw/zinc/66/60/45/1073666045.db2.gz NQBWKSQPZWOWMM-HUUCEWRRSA-N 0 0 427.527 -0.283 20 30 IBEDRN C#CCN(c1nnc([C@H](C)OCCOC)n1CC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001286385524 1073665999 /nfs/dbraw/zinc/66/59/99/1073665999.db2.gz NQBWKSQPZWOWMM-LSDHHAIUSA-N 0 0 427.527 -0.283 20 30 IBEDRN C#CCN(c1nnc(-c2cccnc2)n1CCNS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 ZINC001286386974 1073665949 /nfs/dbraw/zinc/66/59/49/1073665949.db2.gz LIWDAVWSUBJKIQ-HNNXBMFYSA-N 0 0 438.535 -0.484 20 30 IBEDRN C#CCN(c1nnc(-c2cccnc2)n1CCNS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 ZINC001286386975 1073666007 /nfs/dbraw/zinc/66/60/07/1073666007.db2.gz LIWDAVWSUBJKIQ-OAHLLOKOSA-N 0 0 438.535 -0.484 20 30 IBEDRN C#CCN(c1nnc(-c2cccn2C)n1CC(=O)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 ZINC001286387157 1073666060 /nfs/dbraw/zinc/66/60/60/1073666060.db2.gz OPFSKYZKIBEJMO-INIZCTEOSA-N 0 0 446.533 -0.231 20 30 IBEDRN C#CCN(c1nnc(-c2cccn2C)n1CC(=O)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001286387159 1073665959 /nfs/dbraw/zinc/66/59/59/1073665959.db2.gz OPFSKYZKIBEJMO-MRXNPFEDSA-N 0 0 446.533 -0.231 20 30 IBEDRN C#CCN(c1nnc(-c2ccccn2)n1CC(=O)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 ZINC001286387458 1073665936 /nfs/dbraw/zinc/66/59/36/1073665936.db2.gz QXKWLSMQINKQNX-INIZCTEOSA-N 0 0 444.517 -0.174 20 30 IBEDRN C#CCN(c1nnc(-c2ccccn2)n1CC(=O)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001286387459 1073666027 /nfs/dbraw/zinc/66/60/27/1073666027.db2.gz QXKWLSMQINKQNX-MRXNPFEDSA-N 0 0 444.517 -0.174 20 30 IBEDRN C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@]1(OC)CCOC1)[C@H]1CCS(=O)(=O)C1 ZINC001286388732 1073665989 /nfs/dbraw/zinc/66/59/89/1073665989.db2.gz BDNWDWLVKQZCNA-DOXZYTNZSA-N 0 0 437.522 -0.339 20 30 IBEDRN C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@]1(OC)CCOC1)[C@@H]1CCS(=O)(=O)C1 ZINC001286388734 1073665942 /nfs/dbraw/zinc/66/59/42/1073665942.db2.gz BDNWDWLVKQZCNA-VCBZYWHSSA-N 0 0 437.522 -0.339 20 30 IBEDRN C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@]1(OC)CCOC1)[C@H]1CCS(=O)(=O)C1 ZINC001286388736 1073666040 /nfs/dbraw/zinc/66/60/40/1073666040.db2.gz BDNWDWLVKQZCNA-YZVOILCLSA-N 0 0 437.522 -0.339 20 30 IBEDRN C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@]1(OC)CCOC1)[C@@H]1CCS(=O)(=O)C1 ZINC001286388738 1073666002 /nfs/dbraw/zinc/66/60/02/1073666002.db2.gz BDNWDWLVKQZCNA-ZRGWGRIASA-N 0 0 437.522 -0.339 20 30 IBEDRN C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCCS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 ZINC001286389191 1073666016 /nfs/dbraw/zinc/66/60/16/1073666016.db2.gz GYKUDSYCLONWIJ-KBPBESRZSA-N 0 0 443.551 -0.709 20 30 IBEDRN C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCCS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 ZINC001286389192 1073666506 /nfs/dbraw/zinc/66/65/06/1073666506.db2.gz GYKUDSYCLONWIJ-KGLIPLIRSA-N 0 0 443.551 -0.709 20 30 IBEDRN C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCCS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 ZINC001286389193 1073666443 /nfs/dbraw/zinc/66/64/43/1073666443.db2.gz GYKUDSYCLONWIJ-UONOGXRCSA-N 0 0 443.551 -0.709 20 30 IBEDRN C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCCS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 ZINC001286389194 1073666500 /nfs/dbraw/zinc/66/65/00/1073666500.db2.gz GYKUDSYCLONWIJ-ZIAGYGMSSA-N 0 0 443.551 -0.709 20 30 IBEDRN C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H]1CC[C@H](CO)O1)[C@@H]1CCS(=O)(=O)C1 ZINC001286389714 1073666463 /nfs/dbraw/zinc/66/64/63/1073666463.db2.gz PIIPJOXYWDHNBL-IXDOHACOSA-N 0 0 434.522 -0.155 20 30 IBEDRN C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H]1CC[C@H](CO)O1)[C@H]1CCS(=O)(=O)C1 ZINC001286389715 1073666489 /nfs/dbraw/zinc/66/64/89/1073666489.db2.gz PIIPJOXYWDHNBL-YESZJQIVSA-N 0 0 434.522 -0.155 20 30 IBEDRN C#CCN(c1nnc([C@@H]2CCCOC2)n1CCS(=O)(=O)NC)[C@H]1CCS(=O)(=O)C1 ZINC001286390458 1073666547 /nfs/dbraw/zinc/66/65/47/1073666547.db2.gz AHBQZFIVPYVEAM-CABCVRRESA-N 0 0 445.567 -0.652 20 30 IBEDRN C#CCN(c1nnc([C@H]2CCCOC2)n1CCS(=O)(=O)NC)[C@H]1CCS(=O)(=O)C1 ZINC001286390460 1073666532 /nfs/dbraw/zinc/66/65/32/1073666532.db2.gz AHBQZFIVPYVEAM-GJZGRUSLSA-N 0 0 445.567 -0.652 20 30 IBEDRN C#CCN(c1nnc([C@@H]2CCCOC2)n1CCS(=O)(=O)NC)[C@@H]1CCS(=O)(=O)C1 ZINC001286390462 1073666492 /nfs/dbraw/zinc/66/64/92/1073666492.db2.gz AHBQZFIVPYVEAM-HUUCEWRRSA-N 0 0 445.567 -0.652 20 30 IBEDRN C#CCN(c1nnc([C@H]2CCCOC2)n1CCS(=O)(=O)NC)[C@@H]1CCS(=O)(=O)C1 ZINC001286390469 1073666539 /nfs/dbraw/zinc/66/65/39/1073666539.db2.gz AHBQZFIVPYVEAM-LSDHHAIUSA-N 0 0 445.567 -0.652 20 30 IBEDRN C#CCN(c1nnc(CC2CC2)n1CCS(=O)(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 ZINC001286391219 1073666484 /nfs/dbraw/zinc/66/64/84/1073666484.db2.gz GZFWGBGUPRDKOV-HNNXBMFYSA-N 0 0 429.568 -0.251 20 30 IBEDRN C#CCN(c1nnc(CC2CC2)n1CCS(=O)(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001286391220 1073666451 /nfs/dbraw/zinc/66/64/51/1073666451.db2.gz GZFWGBGUPRDKOV-OAHLLOKOSA-N 0 0 429.568 -0.251 20 30 IBEDRN C#CCN(c1nnc(CC2CC2)n1CCNS(=O)(=O)CC)[C@H]1CCS(=O)(=O)C1 ZINC001286391512 1073666509 /nfs/dbraw/zinc/66/65/09/1073666509.db2.gz JBIBYOQFXCPUMC-HNNXBMFYSA-N 0 0 429.568 -0.203 20 30 IBEDRN C#CCN(c1nnc(CC2CC2)n1CCNS(=O)(=O)CC)[C@@H]1CCS(=O)(=O)C1 ZINC001286391518 1073666517 /nfs/dbraw/zinc/66/65/17/1073666517.db2.gz JBIBYOQFXCPUMC-OAHLLOKOSA-N 0 0 429.568 -0.203 20 30 IBEDRN C#CCN(c1nnc(CN2CCCC2=O)n1Cc1ncn(C)n1)[C@H]1CCS(=O)(=O)C1 ZINC001286396271 1073666522 /nfs/dbraw/zinc/66/65/22/1073666522.db2.gz OZJILHPYAYIWBP-AWEZNQCLSA-N 0 0 432.510 -0.796 20 30 IBEDRN C#CCN(c1nnc(CN2CCCC2=O)n1Cc1ncn(C)n1)[C@@H]1CCS(=O)(=O)C1 ZINC001286396281 1073666534 /nfs/dbraw/zinc/66/65/34/1073666534.db2.gz OZJILHPYAYIWBP-CQSZACIVSA-N 0 0 432.510 -0.796 20 30 IBEDRN C#CCN(c1nnc([C@H]2CCCO2)n1CCS(=O)(=O)NC)[C@H]1CCS(=O)(=O)C1 ZINC001286398846 1073666471 /nfs/dbraw/zinc/66/64/71/1073666471.db2.gz RBQAVSBTUUEQEP-UONOGXRCSA-N 0 0 431.540 -0.695 20 30 IBEDRN C#CCN(c1nnc([C@H]2CCCO2)n1CCS(=O)(=O)NC)[C@@H]1CCS(=O)(=O)C1 ZINC001286398847 1073666549 /nfs/dbraw/zinc/66/65/49/1073666549.db2.gz RBQAVSBTUUEQEP-ZIAGYGMSSA-N 0 0 431.540 -0.695 20 30 IBEDRN C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1CCS(=O)(=O)CC1 ZINC001286399729 1073666480 /nfs/dbraw/zinc/66/64/80/1073666480.db2.gz MXMRSBAAMALDTD-AWEZNQCLSA-N 0 0 427.552 -0.214 20 30 IBEDRN C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1CCS(=O)(=O)CC1 ZINC001286399730 1073666455 /nfs/dbraw/zinc/66/64/55/1073666455.db2.gz MXMRSBAAMALDTD-CQSZACIVSA-N 0 0 427.552 -0.214 20 30 IBEDRN C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCS(=O)(=O)NC ZINC001286400953 1073666554 /nfs/dbraw/zinc/66/65/54/1073666554.db2.gz HPGJKIAIUFRHFB-UHFFFAOYSA-N 0 0 435.531 -0.029 20 30 IBEDRN C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCC[C@@H]1NC(=O)NC1=O ZINC001286404665 1073667122 /nfs/dbraw/zinc/66/71/22/1073667122.db2.gz VLCZLHTUTWAWNK-KRWDZBQOSA-N 0 0 444.459 -0.018 20 30 IBEDRN C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCS(=O)(=O)NC ZINC001286404688 1073667155 /nfs/dbraw/zinc/66/71/55/1073667155.db2.gz WENTXNWGACJVTJ-UHFFFAOYSA-N 0 0 425.478 -0.457 20 30 IBEDRN C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1C[C@@]1(O)CCS(=O)(=O)C1 ZINC001286406938 1073667097 /nfs/dbraw/zinc/66/70/97/1073667097.db2.gz AGPVCWHHTUQOAL-IBGZPJMESA-N 0 0 431.474 -0.372 20 30 IBEDRN C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1C[C@]1(O)CCS(=O)(=O)C1 ZINC001286406944 1073667111 /nfs/dbraw/zinc/66/71/11/1073667111.db2.gz AGPVCWHHTUQOAL-LJQANCHMSA-N 0 0 431.474 -0.372 20 30 IBEDRN C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCn1cccn1 ZINC001286409043 1073667212 /nfs/dbraw/zinc/66/72/12/1073667212.db2.gz HVLMHSINTBKBGC-KRWDZBQOSA-N 0 0 431.522 -0.029 20 30 IBEDRN C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCn1cccn1 ZINC001286409046 1073667235 /nfs/dbraw/zinc/66/72/35/1073667235.db2.gz HVLMHSINTBKBGC-QGZVFWFLSA-N 0 0 431.522 -0.029 20 30 IBEDRN C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(C)COCCO1 ZINC001286409530 1073667163 /nfs/dbraw/zinc/66/71/63/1073667163.db2.gz NREPFUFIDHCNPZ-APWZRJJASA-N 0 0 437.522 -0.511 20 30 IBEDRN C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(C)COCCO1 ZINC001286409531 1073667201 /nfs/dbraw/zinc/66/72/01/1073667201.db2.gz NREPFUFIDHCNPZ-LPHOPBHVSA-N 0 0 437.522 -0.511 20 30 IBEDRN C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(C)COCCO1 ZINC001286409532 1073667180 /nfs/dbraw/zinc/66/71/80/1073667180.db2.gz NREPFUFIDHCNPZ-QFBILLFUSA-N 0 0 437.522 -0.511 20 30 IBEDRN C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(C)COCCO1 ZINC001286409533 1073667205 /nfs/dbraw/zinc/66/72/05/1073667205.db2.gz NREPFUFIDHCNPZ-VQIMIIECSA-N 0 0 437.522 -0.511 20 30 IBEDRN C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)NCC(F)F ZINC001286410508 1073667240 /nfs/dbraw/zinc/66/72/40/1073667240.db2.gz ULGGPDSLVWKLIZ-CYBMUJFWSA-N 0 0 444.464 -0.935 20 30 IBEDRN C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)NCC(F)F ZINC001286410512 1073667176 /nfs/dbraw/zinc/66/71/76/1073667176.db2.gz ULGGPDSLVWKLIZ-ZDUSSCGKSA-N 0 0 444.464 -0.935 20 30 IBEDRN C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC(=O)NCCC ZINC001286410820 1073667246 /nfs/dbraw/zinc/66/72/46/1073667246.db2.gz WYFZQYWXTZJWAO-INIZCTEOSA-N 0 0 436.538 -0.400 20 30 IBEDRN C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC(=O)NCCC ZINC001286410822 1073667229 /nfs/dbraw/zinc/66/72/29/1073667229.db2.gz WYFZQYWXTZJWAO-MRXNPFEDSA-N 0 0 436.538 -0.400 20 30 IBEDRN C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H]1COCCO1 ZINC001286411139 1073667133 /nfs/dbraw/zinc/66/71/33/1073667133.db2.gz ZJXZNVWQIVVASG-DLBZAZTESA-N 0 0 437.522 -0.511 20 30 IBEDRN C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H]1COCCO1 ZINC001286411141 1073667170 /nfs/dbraw/zinc/66/71/70/1073667170.db2.gz ZJXZNVWQIVVASG-IAGOWNOFSA-N 0 0 437.522 -0.511 20 30 IBEDRN C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H]1COCCO1 ZINC001286411143 1073667115 /nfs/dbraw/zinc/66/71/15/1073667115.db2.gz ZJXZNVWQIVVASG-IRXDYDNUSA-N 0 0 437.522 -0.511 20 30 IBEDRN C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H]1COCCO1 ZINC001286411145 1073667223 /nfs/dbraw/zinc/66/72/23/1073667223.db2.gz ZJXZNVWQIVVASG-SJORKVTESA-N 0 0 437.522 -0.511 20 30 IBEDRN C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)NCC=C ZINC001286429480 1073667251 /nfs/dbraw/zinc/66/72/51/1073667251.db2.gz BSEGKHDMMKIWQU-INIZCTEOSA-N 0 0 434.522 -0.624 20 30 IBEDRN C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)NCC=C ZINC001286429484 1073667185 /nfs/dbraw/zinc/66/71/85/1073667185.db2.gz BSEGKHDMMKIWQU-MRXNPFEDSA-N 0 0 434.522 -0.624 20 30 IBEDRN C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCNC(=O)C1CC1 ZINC001286431936 1073667650 /nfs/dbraw/zinc/66/76/50/1073667650.db2.gz UBJVNSIPAJTXHT-KRWDZBQOSA-N 0 0 448.549 -0.400 20 30 IBEDRN C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCNC(=O)C1CC1 ZINC001286431937 1073667702 /nfs/dbraw/zinc/66/77/02/1073667702.db2.gz UBJVNSIPAJTXHT-QGZVFWFLSA-N 0 0 448.549 -0.400 20 30 IBEDRN C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC[C@@H]1NC(=O)NC1=O ZINC001286432181 1073667759 /nfs/dbraw/zinc/66/77/59/1073667759.db2.gz ZYJPUEPNCSZEIE-CABCVRRESA-N 0 0 432.506 -0.369 20 30 IBEDRN C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC[C@@H]1NC(=O)NC1=O ZINC001286432182 1073667706 /nfs/dbraw/zinc/66/77/06/1073667706.db2.gz ZYJPUEPNCSZEIE-GJZGRUSLSA-N 0 0 432.506 -0.369 20 30 IBEDRN C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)CCOC ZINC001286448370 1073667719 /nfs/dbraw/zinc/66/77/19/1073667719.db2.gz SSSYYMMUCQHCAE-CRAIPNDOSA-N 0 0 429.543 -0.142 20 30 IBEDRN C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)CCOC ZINC001286448371 1073667732 /nfs/dbraw/zinc/66/77/32/1073667732.db2.gz SSSYYMMUCQHCAE-MAUKXSAKSA-N 0 0 429.543 -0.142 20 30 IBEDRN C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)CCOC ZINC001286448372 1073667672 /nfs/dbraw/zinc/66/76/72/1073667672.db2.gz SSSYYMMUCQHCAE-QAPCUYQASA-N 0 0 429.543 -0.142 20 30 IBEDRN C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)CCOC ZINC001286448373 1073667684 /nfs/dbraw/zinc/66/76/84/1073667684.db2.gz SSSYYMMUCQHCAE-YJBOKZPZSA-N 0 0 429.543 -0.142 20 30 IBEDRN C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCS(=O)(=O)C1 ZINC001286457192 1073667744 /nfs/dbraw/zinc/66/77/44/1073667744.db2.gz IXTRGEHDHMKQSJ-KBPBESRZSA-N 0 0 433.556 -0.591 20 30 IBEDRN C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCS(=O)(=O)C1 ZINC001286457193 1073667724 /nfs/dbraw/zinc/66/77/24/1073667724.db2.gz IXTRGEHDHMKQSJ-KGLIPLIRSA-N 0 0 433.556 -0.591 20 30 IBEDRN C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCS(=O)(=O)C1 ZINC001286457194 1073667753 /nfs/dbraw/zinc/66/77/53/1073667753.db2.gz IXTRGEHDHMKQSJ-UONOGXRCSA-N 0 0 433.556 -0.591 20 30 IBEDRN C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCS(=O)(=O)C1 ZINC001286457195 1073667777 /nfs/dbraw/zinc/66/77/77/1073667777.db2.gz IXTRGEHDHMKQSJ-ZIAGYGMSSA-N 0 0 433.556 -0.591 20 30 IBEDRN C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001286461908 1073667636 /nfs/dbraw/zinc/66/76/36/1073667636.db2.gz ZNBDNAZURNZNSK-INIZCTEOSA-N 0 0 438.554 -0.118 20 30 IBEDRN C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001286461910 1073667738 /nfs/dbraw/zinc/66/77/38/1073667738.db2.gz ZNBDNAZURNZNSK-MRXNPFEDSA-N 0 0 438.554 -0.118 20 30 IBEDRN C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)N1CCOCC1 ZINC001286465815 1073667690 /nfs/dbraw/zinc/66/76/90/1073667690.db2.gz BPSSFZNZNOXNBC-DLBZAZTESA-N 0 0 425.555 -0.013 20 30 IBEDRN C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N1CCOCC1 ZINC001286465816 1073667766 /nfs/dbraw/zinc/66/77/66/1073667766.db2.gz BPSSFZNZNOXNBC-IAGOWNOFSA-N 0 0 425.555 -0.013 20 30 IBEDRN C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)N1CCOCC1 ZINC001286465817 1073667661 /nfs/dbraw/zinc/66/76/61/1073667661.db2.gz BPSSFZNZNOXNBC-IRXDYDNUSA-N 0 0 425.555 -0.013 20 30 IBEDRN C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N1CCOCC1 ZINC001286465818 1073667748 /nfs/dbraw/zinc/66/77/48/1073667748.db2.gz BPSSFZNZNOXNBC-SJORKVTESA-N 0 0 425.555 -0.013 20 30 IBEDRN C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(C(N)=O)CCOCC1 ZINC001286466177 1073667696 /nfs/dbraw/zinc/66/76/96/1073667696.db2.gz DPBVFTKQCNYCRP-HNNXBMFYSA-N 0 0 439.538 -0.452 20 30 IBEDRN C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(C(N)=O)CCOCC1 ZINC001286466180 1073667772 /nfs/dbraw/zinc/66/77/72/1073667772.db2.gz DPBVFTKQCNYCRP-OAHLLOKOSA-N 0 0 439.538 -0.452 20 30 IBEDRN C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC(C)(C)O ZINC001286466514 1073668243 /nfs/dbraw/zinc/66/82/43/1073668243.db2.gz HPIGCPYDEUBZMU-HNNXBMFYSA-N 0 0 429.543 -0.142 20 30 IBEDRN C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC(C)(C)O ZINC001286466517 1073668314 /nfs/dbraw/zinc/66/83/14/1073668314.db2.gz HPIGCPYDEUBZMU-OAHLLOKOSA-N 0 0 429.543 -0.142 20 30 IBEDRN C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)N1CCOCC1 ZINC001286466883 1073668190 /nfs/dbraw/zinc/66/81/90/1073668190.db2.gz KTVOVZBJCAFGIR-HNNXBMFYSA-N 0 0 425.511 -0.875 20 30 IBEDRN C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)N1CCOCC1 ZINC001286466884 1073668169 /nfs/dbraw/zinc/66/81/69/1073668169.db2.gz KTVOVZBJCAFGIR-OAHLLOKOSA-N 0 0 425.511 -0.875 20 30 IBEDRN C#CCN(CCOC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@]1(O)CCS(=O)(=O)C1 ZINC001286470138 1073668330 /nfs/dbraw/zinc/66/83/30/1073668330.db2.gz QPRRCTSJUCPSKS-BXWFABGCSA-N 0 0 442.538 -0.362 20 30 IBEDRN C#CCN(CCOC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@]1(O)CCS(=O)(=O)C1 ZINC001286470140 1073668339 /nfs/dbraw/zinc/66/83/39/1073668339.db2.gz QPRRCTSJUCPSKS-TXPKVOOTSA-N 0 0 442.538 -0.362 20 30 IBEDRN C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C(N)=O)cc2)CC1 ZINC001286473178 1073668903 /nfs/dbraw/zinc/66/89/03/1073668903.db2.gz YFGOWDDOKAJNEC-OAHLLOKOSA-N 0 0 445.549 -0.209 20 30 IBEDRN C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CC2(O)CCS(=O)(=O)CC2)CC1 ZINC001286477316 1073668834 /nfs/dbraw/zinc/66/88/34/1073668834.db2.gz WWNBVLAHJRPRRF-UHFFFAOYSA-N 0 0 433.538 -0.627 20 30 IBEDRN C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(S(C)(=O)=O)CC2)CC1 ZINC001286478430 1073668827 /nfs/dbraw/zinc/66/88/27/1073668827.db2.gz ASKBCCLILRQEJZ-HNNXBMFYSA-N 0 0 441.579 -0.487 20 30 IBEDRN C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(S(C)(=O)=O)CC2)CC1 ZINC001286478432 1073668951 /nfs/dbraw/zinc/66/89/51/1073668951.db2.gz ASKBCCLILRQEJZ-OAHLLOKOSA-N 0 0 441.579 -0.487 20 30 IBEDRN C#CCN1CCN(c2nnc(-c3noc4c3COCC4)n2CCCNS(C)(=O)=O)CC1 ZINC001286478526 1073668805 /nfs/dbraw/zinc/66/88/05/1073668805.db2.gz CQGQXVBCOLYJOV-UHFFFAOYSA-N 0 0 449.537 -0.300 20 30 IBEDRN C#CCN1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCOC)CC1 ZINC001286481073 1073668955 /nfs/dbraw/zinc/66/89/55/1073668955.db2.gz RUQIZSGMZNJDNS-INIZCTEOSA-N 0 0 426.543 -0.597 20 30 IBEDRN C#CCN1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCOC)CC1 ZINC001286481075 1073668930 /nfs/dbraw/zinc/66/89/30/1073668930.db2.gz RUQIZSGMZNJDNS-MRXNPFEDSA-N 0 0 426.543 -0.597 20 30 IBEDRN C#CCN1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cc(C)on2)CC1 ZINC001286482000 1073668921 /nfs/dbraw/zinc/66/89/21/1073668921.db2.gz ZDPRHAHBACZYEQ-KRWDZBQOSA-N 0 0 449.537 -0.289 20 30 IBEDRN C#CCN1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cc(C)on2)CC1 ZINC001286482015 1073668821 /nfs/dbraw/zinc/66/88/21/1073668821.db2.gz ZDPRHAHBACZYEQ-QGZVFWFLSA-N 0 0 449.537 -0.289 20 30 IBEDRN C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 ZINC001286483956 1073668968 /nfs/dbraw/zinc/66/89/68/1073668968.db2.gz AZCLDTZLNDDTMJ-QGZVFWFLSA-N 0 0 449.581 -0.420 20 30 IBEDRN C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCNS(C)(=O)=O)CC1 ZINC001286484383 1073668871 /nfs/dbraw/zinc/66/88/71/1073668871.db2.gz JRNBOFZGHVDUMJ-UHFFFAOYSA-N 0 0 434.570 -0.166 20 30 IBEDRN C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCNS(=O)(=O)CC)CC1 ZINC001286485112 1073668857 /nfs/dbraw/zinc/66/88/57/1073668857.db2.gz DEQPZULFPDSJAF-IRXDYDNUSA-N 0 0 440.570 -0.303 20 30 IBEDRN C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2nncn2C)CC1 ZINC001286485167 1073668945 /nfs/dbraw/zinc/66/89/45/1073668945.db2.gz DIWAJMYINCVDKR-UHFFFAOYSA-N 0 0 425.497 -0.343 20 30 IBEDRN C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CC(=O)N2CCOCC2)CC1 ZINC001286485821 1073668849 /nfs/dbraw/zinc/66/88/49/1073668849.db2.gz ZIOJHIWOOWWFBG-UHFFFAOYSA-N 0 0 445.524 -0.759 20 30 IBEDRN C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(C)COC2)CC1 ZINC001286485975 1073668940 /nfs/dbraw/zinc/66/89/40/1073668940.db2.gz DVFXZZIAVOWCMR-AWEZNQCLSA-N 0 0 438.554 -0.109 20 30 IBEDRN C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(C)COC2)CC1 ZINC001286485976 1073668799 /nfs/dbraw/zinc/66/87/99/1073668799.db2.gz DVFXZZIAVOWCMR-CQSZACIVSA-N 0 0 438.554 -0.109 20 30 IBEDRN C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCOC)CC1 ZINC001286486019 1073668788 /nfs/dbraw/zinc/66/87/88/1073668788.db2.gz FQDZWXXIBUVCLS-AWEZNQCLSA-N 0 0 426.543 -0.109 20 30 IBEDRN C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCOC)CC1 ZINC001286486020 1073668883 /nfs/dbraw/zinc/66/88/83/1073668883.db2.gz FQDZWXXIBUVCLS-CQSZACIVSA-N 0 0 426.543 -0.109 20 30 IBEDRN C#CCNC(=O)C1CCN(c2nnc(C)n2CCNS(=O)(=O)Cc2ccon2)CC1 ZINC001286486713 1073668888 /nfs/dbraw/zinc/66/88/88/1073668888.db2.gz ATCGJGLONQWXOG-UHFFFAOYSA-N 0 0 435.510 -0.340 20 30 IBEDRN C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCS(=O)(=O)N(C)C)CC1 ZINC001286489887 1073669636 /nfs/dbraw/zinc/66/96/36/1073669636.db2.gz HDGSJFFITXZRQR-UHFFFAOYSA-N 0 0 448.553 -0.464 20 30 IBEDRN C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCNS(C)(=O)=O)CC1 ZINC001286490532 1073669583 /nfs/dbraw/zinc/66/95/83/1073669583.db2.gz XKPUJCHNBBBVCY-UHFFFAOYSA-N 0 0 433.538 -0.201 20 30 IBEDRN C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)N2CCOCC2)CC1 ZINC001286490688 1073669532 /nfs/dbraw/zinc/66/95/32/1073669532.db2.gz OXEFINLNVBQNBF-AEFFLSMTSA-N 0 0 443.552 -0.084 20 30 IBEDRN C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](C)N2CCOCC2)CC1 ZINC001286490689 1073669670 /nfs/dbraw/zinc/66/96/70/1073669670.db2.gz OXEFINLNVBQNBF-FUHWJXTLSA-N 0 0 443.552 -0.084 20 30 IBEDRN C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C)N2CCOCC2)CC1 ZINC001286490690 1073669597 /nfs/dbraw/zinc/66/95/97/1073669597.db2.gz OXEFINLNVBQNBF-SJLPKXTDSA-N 0 0 443.552 -0.084 20 30 IBEDRN C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C)N2CCOCC2)CC1 ZINC001286490691 1073669657 /nfs/dbraw/zinc/66/96/57/1073669657.db2.gz OXEFINLNVBQNBF-WMZOPIPTSA-N 0 0 443.552 -0.084 20 30 IBEDRN C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCNC(=O)C(C)C)CC1 ZINC001286490915 1073669665 /nfs/dbraw/zinc/66/96/65/1073669665.db2.gz WWVISCULKXLMBS-INIZCTEOSA-N 0 0 429.525 -0.033 20 30 IBEDRN C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCNC(=O)C(C)C)CC1 ZINC001286490916 1073669624 /nfs/dbraw/zinc/66/96/24/1073669624.db2.gz WWVISCULKXLMBS-MRXNPFEDSA-N 0 0 429.525 -0.033 20 30 IBEDRN C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2COCCO2)CC1 ZINC001286492060 1073669620 /nfs/dbraw/zinc/66/96/20/1073669620.db2.gz FLZOIKSNLRILSY-KRWDZBQOSA-N 0 0 430.509 -0.218 20 30 IBEDRN C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2nncn2C)CC1 ZINC001286492133 1073669589 /nfs/dbraw/zinc/66/95/89/1073669589.db2.gz CQHHDHWTGPROBY-HNNXBMFYSA-N 0 0 446.537 -0.677 20 30 IBEDRN C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2nncn2C)CC1 ZINC001286492135 1073669650 /nfs/dbraw/zinc/66/96/50/1073669650.db2.gz CQHHDHWTGPROBY-OAHLLOKOSA-N 0 0 446.537 -0.677 20 30 IBEDRN C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCNC(=O)c2ccn[nH]2)CC1 ZINC001286492193 1073669643 /nfs/dbraw/zinc/66/96/43/1073669643.db2.gz DPYYNIUBXICOQC-INIZCTEOSA-N 0 0 440.508 -0.099 20 30 IBEDRN C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCNC(=O)c2ccn[nH]2)CC1 ZINC001286492195 1073669551 /nfs/dbraw/zinc/66/95/51/1073669551.db2.gz DPYYNIUBXICOQC-MRXNPFEDSA-N 0 0 440.508 -0.099 20 30 IBEDRN C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCC(=O)N2)CC1 ZINC001286492463 1073669628 /nfs/dbraw/zinc/66/96/28/1073669628.db2.gz GCPNDXTXZBZFFR-HZPDHXFCSA-N 0 0 448.549 -0.575 20 30 IBEDRN C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCC(=O)N2)CC1 ZINC001286492464 1073669612 /nfs/dbraw/zinc/66/96/12/1073669612.db2.gz GCPNDXTXZBZFFR-JKSUJKDBSA-N 0 0 448.549 -0.575 20 30 IBEDRN C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CC(=O)N2CCOCC2)CC1 ZINC001286492532 1073669605 /nfs/dbraw/zinc/66/96/05/1073669605.db2.gz HZZJJRVGPSGUGZ-GOSISDBHSA-N 0 0 444.536 -0.003 20 30 IBEDRN C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CC(=O)N2CCOCC2)CC1 ZINC001286492533 1073669682 /nfs/dbraw/zinc/66/96/82/1073669682.db2.gz HZZJJRVGPSGUGZ-SFHVURJKSA-N 0 0 444.536 -0.003 20 30 IBEDRN C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC(=O)NC)CC1 ZINC001286494628 1073670177 /nfs/dbraw/zinc/67/01/77/1073670177.db2.gz VTYLPHIPMOBNIM-HNNXBMFYSA-N 0 0 436.538 -0.718 20 30 IBEDRN C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC(=O)NC)CC1 ZINC001286494633 1073670147 /nfs/dbraw/zinc/67/01/47/1073670147.db2.gz VTYLPHIPMOBNIM-OAHLLOKOSA-N 0 0 436.538 -0.718 20 30 IBEDRN C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001286495822 1073670218 /nfs/dbraw/zinc/67/02/18/1073670218.db2.gz GHVACTNYHDEHGG-HNNXBMFYSA-N 0 0 447.565 -0.290 20 30 IBEDRN C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001286495823 1073670204 /nfs/dbraw/zinc/67/02/04/1073670204.db2.gz GHVACTNYHDEHGG-OAHLLOKOSA-N 0 0 447.565 -0.290 20 30 IBEDRN C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001286495914 1073670135 /nfs/dbraw/zinc/67/01/35/1073670135.db2.gz IJHPFDUUGIQVAP-CHWSQXEVSA-N 0 0 435.597 -0.122 20 30 IBEDRN C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@H]1CCS(=O)(=O)C1 ZINC001286495915 1073670195 /nfs/dbraw/zinc/67/01/95/1073670195.db2.gz IJHPFDUUGIQVAP-OLZOCXBDSA-N 0 0 435.597 -0.122 20 30 IBEDRN C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001286495916 1073670183 /nfs/dbraw/zinc/67/01/83/1073670183.db2.gz IJHPFDUUGIQVAP-QWHCGFSZSA-N 0 0 435.597 -0.122 20 30 IBEDRN C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@H]1CCS(=O)(=O)C1 ZINC001286495917 1073670160 /nfs/dbraw/zinc/67/01/60/1073670160.db2.gz IJHPFDUUGIQVAP-STQMWFEESA-N 0 0 435.597 -0.122 20 30 IBEDRN C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)NC2CC2)CC1 ZINC001286503902 1073670168 /nfs/dbraw/zinc/67/01/68/1073670168.db2.gz GSIRIUWGWAFNGB-INIZCTEOSA-N 0 0 431.566 -0.004 20 30 IBEDRN C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)NC2CC2)CC1 ZINC001286503903 1073670139 /nfs/dbraw/zinc/67/01/39/1073670139.db2.gz GSIRIUWGWAFNGB-MRXNPFEDSA-N 0 0 431.566 -0.004 20 30 IBEDRN C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC001286504861 1073670152 /nfs/dbraw/zinc/67/01/52/1073670152.db2.gz QRAJUTQHDRHYQO-HNNXBMFYSA-N 0 0 445.549 -0.477 20 30 IBEDRN C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC001286504862 1073670143 /nfs/dbraw/zinc/67/01/43/1073670143.db2.gz QRAJUTQHDRHYQO-OAHLLOKOSA-N 0 0 445.549 -0.477 20 30 IBEDRN C#CCSCCn1c(Cc2ccncc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001286508024 1073670225 /nfs/dbraw/zinc/67/02/25/1073670225.db2.gz NVZYHBKULSFCMD-INIZCTEOSA-N 0 0 425.518 -0.223 20 30 IBEDRN C#CCSCCn1c(Cc2ccncc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001286508025 1073670171 /nfs/dbraw/zinc/67/01/71/1073670171.db2.gz NVZYHBKULSFCMD-MRXNPFEDSA-N 0 0 425.518 -0.223 20 30 IBEDRN C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCNS(C)(=O)=O ZINC001286508573 1073670200 /nfs/dbraw/zinc/67/02/00/1073670200.db2.gz IODYVWJUOHSRRS-CYBMUJFWSA-N 0 0 435.597 -0.468 20 30 IBEDRN C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCNS(C)(=O)=O ZINC001286508574 1073670186 /nfs/dbraw/zinc/67/01/86/1073670186.db2.gz IODYVWJUOHSRRS-ZDUSSCGKSA-N 0 0 435.597 -0.468 20 30 IBEDRN C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCNC(=O)CC1 ZINC001286508825 1073670232 /nfs/dbraw/zinc/67/02/32/1073670232.db2.gz KPBNTPQMCBTUIN-AWEZNQCLSA-N 0 0 442.567 -0.696 20 30 IBEDRN C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCNC(=O)CC1 ZINC001286508830 1073670210 /nfs/dbraw/zinc/67/02/10/1073670210.db2.gz KPBNTPQMCBTUIN-CQSZACIVSA-N 0 0 442.567 -0.696 20 30 IBEDRN C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)COC)CC1 ZINC001286509189 1073670154 /nfs/dbraw/zinc/67/01/54/1073670154.db2.gz NPBWJPBKIBADKT-HNNXBMFYSA-N 0 0 441.579 -0.158 20 30 IBEDRN C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)COC)CC1 ZINC001286509191 1073670163 /nfs/dbraw/zinc/67/01/63/1073670163.db2.gz NPBWJPBKIBADKT-OAHLLOKOSA-N 0 0 441.579 -0.158 20 30 IBEDRN C=C(Br)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCNC(=O)C1 ZINC001286541618 1073670866 /nfs/dbraw/zinc/67/08/66/1073670866.db2.gz KJQYGUUJSKBWAT-LLVKDONJSA-N 0 0 449.331 -0.544 20 30 IBEDRN C=C(Br)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCNC(=O)C1 ZINC001286541621 1073670815 /nfs/dbraw/zinc/67/08/15/1073670815.db2.gz KJQYGUUJSKBWAT-NSHDSACASA-N 0 0 449.331 -0.544 20 30 IBEDRN C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001286542046 1073670734 /nfs/dbraw/zinc/67/07/34/1073670734.db2.gz QPHIYHIGFOLBJE-NEPJUHHUSA-N 0 0 425.287 -0.162 20 30 IBEDRN C=C(Br)Cn1c([C@H]2CCOC2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001286542047 1073670826 /nfs/dbraw/zinc/67/08/26/1073670826.db2.gz QPHIYHIGFOLBJE-NWDGAFQWSA-N 0 0 425.287 -0.162 20 30 IBEDRN C=C(Br)Cn1c([C@H]2CCOC2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001286542048 1073670718 /nfs/dbraw/zinc/67/07/18/1073670718.db2.gz QPHIYHIGFOLBJE-RYUDHWBXSA-N 0 0 425.287 -0.162 20 30 IBEDRN C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001286542049 1073670834 /nfs/dbraw/zinc/67/08/34/1073670834.db2.gz QPHIYHIGFOLBJE-VXGBXAGGSA-N 0 0 425.287 -0.162 20 30 IBEDRN C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 ZINC001286592497 1073670861 /nfs/dbraw/zinc/67/08/61/1073670861.db2.gz IOAMVERUNMTDTC-HNNXBMFYSA-N 0 0 438.554 -0.071 20 30 IBEDRN C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 ZINC001286592498 1073670841 /nfs/dbraw/zinc/67/08/41/1073670841.db2.gz IOAMVERUNMTDTC-OAHLLOKOSA-N 0 0 438.554 -0.071 20 30 IBEDRN C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](CNC(C)=O)C1 ZINC001286592744 1073670876 /nfs/dbraw/zinc/67/08/76/1073670876.db2.gz TWHPLEZJQLFNLJ-CVEARBPZSA-N 0 0 442.542 -0.472 20 30 IBEDRN C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](CNC(C)=O)C1 ZINC001286592745 1073670905 /nfs/dbraw/zinc/67/09/05/1073670905.db2.gz TWHPLEZJQLFNLJ-HOTGVXAUSA-N 0 0 442.542 -0.472 20 30 IBEDRN C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](CNC(C)=O)C1 ZINC001286592746 1073670855 /nfs/dbraw/zinc/67/08/55/1073670855.db2.gz TWHPLEZJQLFNLJ-HZPDHXFCSA-N 0 0 442.542 -0.472 20 30 IBEDRN C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](CNC(C)=O)C1 ZINC001286592747 1073670890 /nfs/dbraw/zinc/67/08/90/1073670890.db2.gz TWHPLEZJQLFNLJ-JKSUJKDBSA-N 0 0 442.542 -0.472 20 30 IBEDRN C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001286619695 1073670773 /nfs/dbraw/zinc/67/07/73/1073670773.db2.gz VBYFLHSDBQDJMX-GFCCVEGCSA-N 0 0 430.856 -0.175 20 30 IBEDRN C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001286619707 1073670870 /nfs/dbraw/zinc/67/08/70/1073670870.db2.gz VBYFLHSDBQDJMX-LBPRGKRZSA-N 0 0 430.856 -0.175 20 30 IBEDRN C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)NCCOC)CC1 ZINC001286627700 1073670897 /nfs/dbraw/zinc/67/08/97/1073670897.db2.gz MUYZCCFDSBTJMQ-AWEZNQCLSA-N 0 0 425.921 -0.134 20 30 IBEDRN C=C(Cl)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)NCCOC)CC1 ZINC001286627701 1073670751 /nfs/dbraw/zinc/67/07/51/1073670751.db2.gz MUYZCCFDSBTJMQ-CQSZACIVSA-N 0 0 425.921 -0.134 20 30 IBEDRN C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C(=O)NC)C1 ZINC001286628854 1073670794 /nfs/dbraw/zinc/67/07/94/1073670794.db2.gz HBCGPRBPNIFBCS-CHWSQXEVSA-N 0 0 448.933 -0.685 20 30 IBEDRN C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C(=O)NC)C1 ZINC001286628859 1073670884 /nfs/dbraw/zinc/67/08/84/1073670884.db2.gz HBCGPRBPNIFBCS-OLZOCXBDSA-N 0 0 448.933 -0.685 20 30 IBEDRN C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C(=O)NC)C1 ZINC001286628862 1073670704 /nfs/dbraw/zinc/67/07/04/1073670704.db2.gz HBCGPRBPNIFBCS-QWHCGFSZSA-N 0 0 448.933 -0.685 20 30 IBEDRN C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C(=O)NC)C1 ZINC001286628864 1073670833 /nfs/dbraw/zinc/67/08/33/1073670833.db2.gz HBCGPRBPNIFBCS-STQMWFEESA-N 0 0 448.933 -0.685 20 30 IBEDRN C=CCCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 ZINC001286703573 1073671370 /nfs/dbraw/zinc/67/13/70/1073671370.db2.gz OMYAXHSGZDRMBS-UHFFFAOYSA-N 0 0 428.501 -0.298 20 30 IBEDRN C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)NC[C@H]2C1 ZINC001286705607 1073671380 /nfs/dbraw/zinc/67/13/80/1073671380.db2.gz BAFBTVNFUBUTKZ-KBPBESRZSA-N 0 0 427.531 -0.305 20 30 IBEDRN C=CCCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)NC[C@H]2C1 ZINC001286705611 1073671367 /nfs/dbraw/zinc/67/13/67/1073671367.db2.gz BAFBTVNFUBUTKZ-KGLIPLIRSA-N 0 0 427.531 -0.305 20 30 IBEDRN C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)NC[C@@H]2C1 ZINC001286705612 1073671348 /nfs/dbraw/zinc/67/13/48/1073671348.db2.gz BAFBTVNFUBUTKZ-UONOGXRCSA-N 0 0 427.531 -0.305 20 30 IBEDRN C=CCCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)NC[C@@H]2C1 ZINC001286705613 1073671300 /nfs/dbraw/zinc/67/13/00/1073671300.db2.gz BAFBTVNFUBUTKZ-ZIAGYGMSSA-N 0 0 427.531 -0.305 20 30 IBEDRN C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(S(C)(=O)=O)CC1 ZINC001286710572 1073671337 /nfs/dbraw/zinc/67/13/37/1073671337.db2.gz AMVVNHISUHHGBA-HNNXBMFYSA-N 0 0 447.583 -0.146 20 30 IBEDRN C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(S(C)(=O)=O)CC1 ZINC001286710573 1073671402 /nfs/dbraw/zinc/67/14/02/1073671402.db2.gz AMVVNHISUHHGBA-OAHLLOKOSA-N 0 0 447.583 -0.146 20 30 IBEDRN C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS(=O)CC1 ZINC001286712286 1073671353 /nfs/dbraw/zinc/67/13/53/1073671353.db2.gz VNSQSSTVJNDPBK-HNNXBMFYSA-N 0 0 447.583 -0.228 20 30 IBEDRN C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS(=O)CC1 ZINC001286712287 1073671394 /nfs/dbraw/zinc/67/13/94/1073671394.db2.gz VNSQSSTVJNDPBK-OAHLLOKOSA-N 0 0 447.583 -0.228 20 30 IBEDRN C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001286713766 1073671325 /nfs/dbraw/zinc/67/13/25/1073671325.db2.gz FRUAGMRSJSDADG-HNNXBMFYSA-N 0 0 431.497 -0.860 20 30 IBEDRN C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001286713768 1073671363 /nfs/dbraw/zinc/67/13/63/1073671363.db2.gz FRUAGMRSJSDADG-OAHLLOKOSA-N 0 0 431.497 -0.860 20 30 IBEDRN C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCS(=O)(=O)C1)C1CC1 ZINC001286737432 1073671350 /nfs/dbraw/zinc/67/13/50/1073671350.db2.gz MEQHMGWLMYKBBK-CXAGYDPISA-N 0 0 430.552 -0.115 20 30 IBEDRN C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCS(=O)(=O)C1)C1CC1 ZINC001286737433 1073671360 /nfs/dbraw/zinc/67/13/60/1073671360.db2.gz MEQHMGWLMYKBBK-DYVFJYSZSA-N 0 0 430.552 -0.115 20 30 IBEDRN C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCS(=O)(=O)C1)C1CC1 ZINC001286737434 1073671307 /nfs/dbraw/zinc/67/13/07/1073671307.db2.gz MEQHMGWLMYKBBK-GUYCJALGSA-N 0 0 430.552 -0.115 20 30 IBEDRN C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCS(=O)(=O)C1)C1CC1 ZINC001286737435 1073671398 /nfs/dbraw/zinc/67/13/98/1073671398.db2.gz MEQHMGWLMYKBBK-SUMWQHHRSA-N 0 0 430.552 -0.115 20 30 IBEDRN C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(O)CCOC1 ZINC001286758503 1073671316 /nfs/dbraw/zinc/67/13/16/1073671316.db2.gz OXXVPLONTOJDOY-CRAIPNDOSA-N 0 0 427.527 -0.059 20 30 IBEDRN C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(O)CCOC1 ZINC001286758504 1073671977 /nfs/dbraw/zinc/67/19/77/1073671977.db2.gz OXXVPLONTOJDOY-MAUKXSAKSA-N 0 0 427.527 -0.059 20 30 IBEDRN C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(O)CCOC1 ZINC001286758505 1073671912 /nfs/dbraw/zinc/67/19/12/1073671912.db2.gz OXXVPLONTOJDOY-QAPCUYQASA-N 0 0 427.527 -0.059 20 30 IBEDRN C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(O)CCOC1 ZINC001286758506 1073671920 /nfs/dbraw/zinc/67/19/20/1073671920.db2.gz OXXVPLONTOJDOY-YJBOKZPZSA-N 0 0 427.527 -0.059 20 30 IBEDRN C=CCN(CCOC)c1nnc(C(=O)NC(C)C)n1CC1(O)CCS(=O)(=O)CC1 ZINC001286765816 1073671783 /nfs/dbraw/zinc/67/17/83/1073671783.db2.gz KFMQRDKHYKOTSB-UHFFFAOYSA-N 0 0 429.543 -0.005 20 30 IBEDRN C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)N2CCOCC2)CC1 ZINC001286770961 1073671905 /nfs/dbraw/zinc/67/19/05/1073671905.db2.gz PINNMIGTQLUDPX-AWEZNQCLSA-N 0 0 427.531 -0.352 20 30 IBEDRN C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)N2CCOCC2)CC1 ZINC001286770962 1073671817 /nfs/dbraw/zinc/67/18/17/1073671817.db2.gz PINNMIGTQLUDPX-CQSZACIVSA-N 0 0 427.531 -0.352 20 30 IBEDRN C=CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(O)CCOC1 ZINC001286773834 1073671873 /nfs/dbraw/zinc/67/18/73/1073671873.db2.gz TZVMVWSMOXDORH-CRAIPNDOSA-N 0 0 445.542 -0.599 20 30 IBEDRN C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(O)CCOC1 ZINC001286773835 1073671832 /nfs/dbraw/zinc/67/18/32/1073671832.db2.gz TZVMVWSMOXDORH-MAUKXSAKSA-N 0 0 445.542 -0.599 20 30 IBEDRN C=CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(O)CCOC1 ZINC001286773836 1073671935 /nfs/dbraw/zinc/67/19/35/1073671935.db2.gz TZVMVWSMOXDORH-QAPCUYQASA-N 0 0 445.542 -0.599 20 30 IBEDRN C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(O)CCOC1 ZINC001286773837 1073671928 /nfs/dbraw/zinc/67/19/28/1073671928.db2.gz TZVMVWSMOXDORH-YJBOKZPZSA-N 0 0 445.542 -0.599 20 30 IBEDRN C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001286776223 1073671944 /nfs/dbraw/zinc/67/19/44/1073671944.db2.gz KOKFFHREPGUXMV-AWEZNQCLSA-N 0 0 433.556 -0.190 20 30 IBEDRN C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001286776224 1073671961 /nfs/dbraw/zinc/67/19/61/1073671961.db2.gz KOKFFHREPGUXMV-CQSZACIVSA-N 0 0 433.556 -0.190 20 30 IBEDRN C=CCn1c(CN2CCCC2=O)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 ZINC001286776751 1073671884 /nfs/dbraw/zinc/67/18/84/1073671884.db2.gz XEXADDFSRQBOAU-UHFFFAOYSA-N 0 0 429.485 -0.947 20 30 IBEDRN C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)C(C)C)CC1 ZINC001286778614 1073671853 /nfs/dbraw/zinc/67/18/53/1073671853.db2.gz CHHXNGSRQUUZNB-AWEZNQCLSA-N 0 0 441.558 -0.505 20 30 IBEDRN C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)C(C)C)CC1 ZINC001286778618 1073671956 /nfs/dbraw/zinc/67/19/56/1073671956.db2.gz CHHXNGSRQUUZNB-CQSZACIVSA-N 0 0 441.558 -0.505 20 30 IBEDRN C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)NCCOC)CC1 ZINC001286778647 1073671760 /nfs/dbraw/zinc/67/17/60/1073671760.db2.gz IJPYLTSLCZFEFP-UHFFFAOYSA-N 0 0 447.540 -0.205 20 30 IBEDRN C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(CCC(=O)N2)C1 ZINC001286778650 1073671967 /nfs/dbraw/zinc/67/19/67/1073671967.db2.gz CPXBSCMKRHCVRZ-PXAZEXFGSA-N 0 0 425.515 -0.951 20 30 IBEDRN C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(CCC(=O)N2)C1 ZINC001286778652 1073671864 /nfs/dbraw/zinc/67/18/64/1073671864.db2.gz CPXBSCMKRHCVRZ-SJCJKPOMSA-N 0 0 425.515 -0.951 20 30 IBEDRN C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(CCC(=O)N2)C1 ZINC001286778657 1073671899 /nfs/dbraw/zinc/67/18/99/1073671899.db2.gz CPXBSCMKRHCVRZ-SJKOYZFVSA-N 0 0 425.515 -0.951 20 30 IBEDRN C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(CCC(=O)N2)C1 ZINC001286778658 1073671973 /nfs/dbraw/zinc/67/19/73/1073671973.db2.gz CPXBSCMKRHCVRZ-YVEFUNNKSA-N 0 0 425.515 -0.951 20 30 IBEDRN C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)OCC)CC1 ZINC001286779007 1073672612 /nfs/dbraw/zinc/67/26/12/1073672612.db2.gz GHXKOLARNJYBLI-CYBMUJFWSA-N 0 0 443.530 -0.531 20 30 IBEDRN C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)OCC)CC1 ZINC001286779008 1073672456 /nfs/dbraw/zinc/67/24/56/1073672456.db2.gz GHXKOLARNJYBLI-ZDUSSCGKSA-N 0 0 443.530 -0.531 20 30 IBEDRN C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)NC2CC2)CC1 ZINC001286779463 1073672554 /nfs/dbraw/zinc/67/25/54/1073672554.db2.gz RTOOROMFHDCLIC-UHFFFAOYSA-N 0 0 444.540 -0.783 20 30 IBEDRN C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCc2nn(C)c(=O)cc2C1 ZINC001286779547 1073672525 /nfs/dbraw/zinc/67/25/25/1073672525.db2.gz VTBMNYJJABPDKZ-UHFFFAOYSA-N 0 0 426.481 -0.527 20 30 IBEDRN C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](Cn2cccn2)C1 ZINC001286779902 1073672348 /nfs/dbraw/zinc/67/23/48/1073672348.db2.gz ZCPJQRCFATYFGJ-INIZCTEOSA-N 0 0 428.497 -0.082 20 30 IBEDRN C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](Cn2cccn2)C1 ZINC001286779907 1073672399 /nfs/dbraw/zinc/67/23/99/1073672399.db2.gz ZCPJQRCFATYFGJ-MRXNPFEDSA-N 0 0 428.497 -0.082 20 30 IBEDRN C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CCOC)CC1 ZINC001286780107 1073672580 /nfs/dbraw/zinc/67/25/80/1073672580.db2.gz BTYSEBXLVIVMAN-UHFFFAOYSA-N 0 0 428.497 -0.004 20 30 IBEDRN C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001286780135 1073672426 /nfs/dbraw/zinc/67/24/26/1073672426.db2.gz MIYGGQOYDWHVFQ-GHMZBOCLSA-N 0 0 440.448 -0.042 20 30 IBEDRN C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001286780136 1073672320 /nfs/dbraw/zinc/67/23/20/1073672320.db2.gz MIYGGQOYDWHVFQ-MNOVXSKESA-N 0 0 440.448 -0.042 20 30 IBEDRN C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001286780138 1073672504 /nfs/dbraw/zinc/67/25/04/1073672504.db2.gz MIYGGQOYDWHVFQ-QWRGUYRKSA-N 0 0 440.448 -0.042 20 30 IBEDRN C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001286780140 1073672495 /nfs/dbraw/zinc/67/24/95/1073672495.db2.gz MIYGGQOYDWHVFQ-WDEREUQCSA-N 0 0 440.448 -0.042 20 30 IBEDRN C=CCNC(=O)Cn1c([C@H](C)OCCOC)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O ZINC001286780148 1073672364 /nfs/dbraw/zinc/67/23/64/1073672364.db2.gz MMFGPDACHJKQIG-AWEZNQCLSA-N 0 0 449.512 -0.175 20 30 IBEDRN C=CCNC(=O)Cn1c([C@@H](C)OCCOC)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O ZINC001286780152 1073672375 /nfs/dbraw/zinc/67/23/75/1073672375.db2.gz MMFGPDACHJKQIG-CQSZACIVSA-N 0 0 449.512 -0.175 20 30 IBEDRN C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(CCC)C(=O)C1 ZINC001286780420 1073672334 /nfs/dbraw/zinc/67/23/34/1073672334.db2.gz OGEIEOGGXOBQDE-AWEZNQCLSA-N 0 0 441.558 -0.361 20 30 IBEDRN C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(CCC)C(=O)C1 ZINC001286780421 1073672412 /nfs/dbraw/zinc/67/24/12/1073672412.db2.gz OGEIEOGGXOBQDE-CQSZACIVSA-N 0 0 441.558 -0.361 20 30 IBEDRN C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC001286780814 1073672514 /nfs/dbraw/zinc/67/25/14/1073672514.db2.gz IJAOKWKCMDRLGG-HNNXBMFYSA-N 0 0 433.513 -0.454 20 30 IBEDRN C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC001286780815 1073672440 /nfs/dbraw/zinc/67/24/40/1073672440.db2.gz IJAOKWKCMDRLGG-OAHLLOKOSA-N 0 0 433.513 -0.454 20 30 IBEDRN C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC(CNS(C)(=O)=O)CC1 ZINC001286781100 1073672473 /nfs/dbraw/zinc/67/24/73/1073672473.db2.gz OKLAZJHNFOJZQE-UHFFFAOYSA-N 0 0 441.558 -0.516 20 30 IBEDRN C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC001286781554 1073672540 /nfs/dbraw/zinc/67/25/40/1073672540.db2.gz UDZZVSBBKTZTPV-ZDUSSCGKSA-N 0 0 427.531 -0.811 20 30 IBEDRN C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CC(=O)N1CCOCC1 ZINC001286781582 1073672382 /nfs/dbraw/zinc/67/23/82/1073672382.db2.gz UUESFRHVYWIWGV-UHFFFAOYSA-N 0 0 442.480 -0.477 20 30 IBEDRN C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCNC(=O)[C@@H]1CC ZINC001286783989 1073673110 /nfs/dbraw/zinc/67/31/10/1073673110.db2.gz SIZGYKAFPKNDMH-INIZCTEOSA-N 0 0 436.480 -0.062 20 30 IBEDRN C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCNC(=O)[C@H]1CC ZINC001286783990 1073673181 /nfs/dbraw/zinc/67/31/81/1073673181.db2.gz SIZGYKAFPKNDMH-MRXNPFEDSA-N 0 0 436.480 -0.062 20 30 IBEDRN C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 ZINC001286784448 1073673049 /nfs/dbraw/zinc/67/30/49/1073673049.db2.gz HRZWSDZZVILJJT-UHFFFAOYSA-N 0 0 436.480 -0.417 20 30 IBEDRN C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NS(=O)(=O)CC)CC1 ZINC001286785616 1073673019 /nfs/dbraw/zinc/67/30/19/1073673019.db2.gz HGGPHBWPSWEVPV-AWEZNQCLSA-N 0 0 439.542 -0.561 20 30 IBEDRN C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NS(=O)(=O)CC)CC1 ZINC001286785617 1073673163 /nfs/dbraw/zinc/67/31/63/1073673163.db2.gz HGGPHBWPSWEVPV-CQSZACIVSA-N 0 0 439.542 -0.561 20 30 IBEDRN C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCO[C@@H](CNC(C)=O)C1 ZINC001286785630 1073673003 /nfs/dbraw/zinc/67/30/03/1073673003.db2.gz HMUGLDJLTBESGA-AWEZNQCLSA-N 0 0 445.480 -0.351 20 30 IBEDRN C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCO[C@H](CNC(C)=O)C1 ZINC001286785631 1073673120 /nfs/dbraw/zinc/67/31/20/1073673120.db2.gz HMUGLDJLTBESGA-CQSZACIVSA-N 0 0 445.480 -0.351 20 30 IBEDRN C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 ZINC001286785738 1073673090 /nfs/dbraw/zinc/67/30/90/1073673090.db2.gz RKCRBSQKUXLOOU-UHFFFAOYSA-N 0 0 442.524 -0.444 20 30 IBEDRN C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 ZINC001286785978 1073673023 /nfs/dbraw/zinc/67/30/23/1073673023.db2.gz LHNVCZPVBGIGOX-HNNXBMFYSA-N 0 0 446.512 -0.894 20 30 IBEDRN C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 ZINC001286785979 1073673130 /nfs/dbraw/zinc/67/31/30/1073673130.db2.gz LHNVCZPVBGIGOX-OAHLLOKOSA-N 0 0 446.512 -0.894 20 30 IBEDRN C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 ZINC001286785982 1073673190 /nfs/dbraw/zinc/67/31/90/1073673190.db2.gz LPTVFYYSBVSKJC-UHFFFAOYSA-N 0 0 443.512 -0.686 20 30 IBEDRN C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 ZINC001286785998 1073673041 /nfs/dbraw/zinc/67/30/41/1073673041.db2.gz METKJGBGEXYVJK-CHWSQXEVSA-N 0 0 430.469 -0.996 20 30 IBEDRN C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 ZINC001286785999 1073673067 /nfs/dbraw/zinc/67/30/67/1073673067.db2.gz METKJGBGEXYVJK-OLZOCXBDSA-N 0 0 430.469 -0.996 20 30 IBEDRN C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 ZINC001286786000 1073673012 /nfs/dbraw/zinc/67/30/12/1073673012.db2.gz METKJGBGEXYVJK-QWHCGFSZSA-N 0 0 430.469 -0.996 20 30 IBEDRN C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 ZINC001286786001 1073673078 /nfs/dbraw/zinc/67/30/78/1073673078.db2.gz METKJGBGEXYVJK-STQMWFEESA-N 0 0 430.469 -0.996 20 30 IBEDRN C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC001286786023 1073673151 /nfs/dbraw/zinc/67/31/51/1073673151.db2.gz MSOMUGFKDOWCEY-UHFFFAOYSA-N 0 0 445.524 -0.645 20 30 IBEDRN C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN(CC(=O)NC(C)C)CC1 ZINC001286786515 1073673194 /nfs/dbraw/zinc/67/31/94/1073673194.db2.gz FUKDLJYWGBMTSI-UHFFFAOYSA-N 0 0 427.513 -0.316 20 30 IBEDRN C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 ZINC001286786839 1073673097 /nfs/dbraw/zinc/67/30/97/1073673097.db2.gz JOFVMEGRCSHJMU-UHFFFAOYSA-N 0 0 441.496 -0.389 20 30 IBEDRN C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC(NS(=O)(=O)CC)CC1 ZINC001286786906 1073673174 /nfs/dbraw/zinc/67/31/74/1073673174.db2.gz LRNIXLVPIVIGHR-UHFFFAOYSA-N 0 0 434.526 -0.055 20 30 IBEDRN C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCNC(=O)CC1 ZINC001286787342 1073673029 /nfs/dbraw/zinc/67/30/29/1073673029.db2.gz SETRKOHARHRURD-UHFFFAOYSA-N 0 0 446.537 -0.133 20 30 IBEDRN C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CNC(C)=O)C1 ZINC001286787559 1073673706 /nfs/dbraw/zinc/67/37/06/1073673706.db2.gz HEWIGOFOCFEWKU-CVEARBPZSA-N 0 0 438.554 -0.165 20 30 IBEDRN C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CNC(C)=O)C1 ZINC001286787567 1073673774 /nfs/dbraw/zinc/67/37/74/1073673774.db2.gz HEWIGOFOCFEWKU-HOTGVXAUSA-N 0 0 438.554 -0.165 20 30 IBEDRN C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CNC(C)=O)C1 ZINC001286787570 1073673749 /nfs/dbraw/zinc/67/37/49/1073673749.db2.gz HEWIGOFOCFEWKU-HZPDHXFCSA-N 0 0 438.554 -0.165 20 30 IBEDRN C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CNC(C)=O)C1 ZINC001286787573 1073673602 /nfs/dbraw/zinc/67/36/02/1073673602.db2.gz HEWIGOFOCFEWKU-JKSUJKDBSA-N 0 0 438.554 -0.165 20 30 IBEDRN C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(C)CC(=O)N1CCOCC1 ZINC001286787575 1073673742 /nfs/dbraw/zinc/67/37/42/1073673742.db2.gz WTNXEMDMNICTGL-UHFFFAOYSA-N 0 0 445.480 -0.397 20 30 IBEDRN C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 ZINC001286787777 1073673680 /nfs/dbraw/zinc/67/36/80/1073673680.db2.gz JJZRGBSUDBZKMG-HNNXBMFYSA-N 0 0 433.513 -0.743 20 30 IBEDRN C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 ZINC001286787778 1073673698 /nfs/dbraw/zinc/67/36/98/1073673698.db2.gz JJZRGBSUDBZKMG-OAHLLOKOSA-N 0 0 433.513 -0.743 20 30 IBEDRN C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001286787945 1073673610 /nfs/dbraw/zinc/67/36/10/1073673610.db2.gz MVLGTGLDXAJXDD-CYBMUJFWSA-N 0 0 445.567 -0.504 20 30 IBEDRN C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001286787946 1073673661 /nfs/dbraw/zinc/67/36/61/1073673661.db2.gz MVLGTGLDXAJXDD-ZDUSSCGKSA-N 0 0 445.567 -0.504 20 30 IBEDRN C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 ZINC001286788090 1073673632 /nfs/dbraw/zinc/67/36/32/1073673632.db2.gz PMPCOLLRHRVPAV-HNNXBMFYSA-N 0 0 437.526 -0.347 20 30 IBEDRN C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 ZINC001286788091 1073673618 /nfs/dbraw/zinc/67/36/18/1073673618.db2.gz PMPCOLLRHRVPAV-OAHLLOKOSA-N 0 0 437.526 -0.347 20 30 IBEDRN C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCNC(=O)C(C)C ZINC001286788411 1073673673 /nfs/dbraw/zinc/67/36/73/1073673673.db2.gz VYDOEQCUYWOCBA-AWEZNQCLSA-N 0 0 426.543 -0.309 20 30 IBEDRN C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCNC(=O)C(C)C ZINC001286788412 1073673581 /nfs/dbraw/zinc/67/35/81/1073673581.db2.gz VYDOEQCUYWOCBA-CQSZACIVSA-N 0 0 426.543 -0.309 20 30 IBEDRN C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(C)C)C(=O)C1 ZINC001286788525 1073673640 /nfs/dbraw/zinc/67/36/40/1073673640.db2.gz YAJMGQAVMNUJFY-HNNXBMFYSA-N 0 0 438.554 -0.213 20 30 IBEDRN C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(C)C)C(=O)C1 ZINC001286788526 1073673734 /nfs/dbraw/zinc/67/37/34/1073673734.db2.gz YAJMGQAVMNUJFY-OAHLLOKOSA-N 0 0 438.554 -0.213 20 30 IBEDRN C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001286788997 1073673757 /nfs/dbraw/zinc/67/37/57/1073673757.db2.gz MLBNNSDMDFCQRV-KRWDZBQOSA-N 0 0 437.504 -0.373 20 30 IBEDRN C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001286788998 1073673652 /nfs/dbraw/zinc/67/36/52/1073673652.db2.gz MLBNNSDMDFCQRV-QGZVFWFLSA-N 0 0 437.504 -0.373 20 30 IBEDRN C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(=O)NCC)CC1 ZINC001286789868 1073673688 /nfs/dbraw/zinc/67/36/88/1073673688.db2.gz IIHOOTMZHOHKTK-UHFFFAOYSA-N 0 0 443.556 -0.300 20 30 IBEDRN C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@H](C(=O)NC)C1 ZINC001286790332 1073673766 /nfs/dbraw/zinc/67/37/66/1073673766.db2.gz QCPJYECJZRKOLP-INIZCTEOSA-N 0 0 438.492 -0.230 20 30 IBEDRN C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@@H](C(=O)NC)C1 ZINC001286790340 1073673721 /nfs/dbraw/zinc/67/37/21/1073673721.db2.gz QCPJYECJZRKOLP-MRXNPFEDSA-N 0 0 438.492 -0.230 20 30 IBEDRN C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](OC)C1 ZINC001286790565 1073674312 /nfs/dbraw/zinc/67/43/12/1073674312.db2.gz GFZPYGGHCIUMCR-CABCVRRESA-N 0 0 442.542 -0.472 20 30 IBEDRN C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](OC)C1 ZINC001286790568 1073674331 /nfs/dbraw/zinc/67/43/31/1073674331.db2.gz GFZPYGGHCIUMCR-GJZGRUSLSA-N 0 0 442.542 -0.472 20 30 IBEDRN C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](OC)C1 ZINC001286790571 1073674324 /nfs/dbraw/zinc/67/43/24/1073674324.db2.gz GFZPYGGHCIUMCR-HUUCEWRRSA-N 0 0 442.542 -0.472 20 30 IBEDRN C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](OC)C1 ZINC001286790573 1073674181 /nfs/dbraw/zinc/67/41/81/1073674181.db2.gz GFZPYGGHCIUMCR-LSDHHAIUSA-N 0 0 442.542 -0.472 20 30 IBEDRN C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC001286791443 1073674285 /nfs/dbraw/zinc/67/42/85/1073674285.db2.gz ZPIFQSMLAWTKCS-AWEZNQCLSA-N 0 0 439.542 -0.827 20 30 IBEDRN C=CCNC(=O)Cn1c(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)nnc1C(C)(C)C ZINC001286792623 1073674301 /nfs/dbraw/zinc/67/43/01/1073674301.db2.gz DKASNIALYDMMJP-UHFFFAOYSA-N 0 0 447.540 -0.615 20 30 IBEDRN C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 ZINC001286793444 1073674317 /nfs/dbraw/zinc/67/43/17/1073674317.db2.gz FEERVQPWLUXRMK-OAHLLOKOSA-N 0 0 433.513 -0.395 20 30 IBEDRN C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](CC(=O)OC)[C@H](O)C1 ZINC001286794119 1073674356 /nfs/dbraw/zinc/67/43/56/1073674356.db2.gz XCPYUPOHJSKHSY-BORJPKMPSA-N 0 0 437.497 -0.336 20 30 IBEDRN C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2(O)CCS(=O)(=O)CC2)C1 ZINC001286810171 1073674246 /nfs/dbraw/zinc/67/42/46/1073674246.db2.gz YUUSRSKLAMWAOP-CABCVRRESA-N 0 0 439.538 -0.050 20 30 IBEDRN C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2(O)CCS(=O)(=O)CC2)C1 ZINC001286810173 1073674346 /nfs/dbraw/zinc/67/43/46/1073674346.db2.gz YUUSRSKLAMWAOP-GJZGRUSLSA-N 0 0 439.538 -0.050 20 30 IBEDRN C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2(O)CCS(=O)(=O)CC2)C1 ZINC001286810175 1073674258 /nfs/dbraw/zinc/67/42/58/1073674258.db2.gz YUUSRSKLAMWAOP-HUUCEWRRSA-N 0 0 439.538 -0.050 20 30 IBEDRN C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2(O)CCS(=O)(=O)CC2)C1 ZINC001286810176 1073674218 /nfs/dbraw/zinc/67/42/18/1073674218.db2.gz YUUSRSKLAMWAOP-LSDHHAIUSA-N 0 0 439.538 -0.050 20 30 IBEDRN C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(CCOC)CC1 ZINC001286813813 1073674361 /nfs/dbraw/zinc/67/43/61/1073674361.db2.gz CORCFHQNIKCSEL-UHFFFAOYSA-N 0 0 440.570 -0.117 20 30 IBEDRN C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CC2)C(=O)C1 ZINC001286814134 1073674263 /nfs/dbraw/zinc/67/42/63/1073674263.db2.gz KYTXOEUPMYLDMD-UHFFFAOYSA-N 0 0 436.538 -0.074 20 30 IBEDRN C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 ZINC001286814828 1073674339 /nfs/dbraw/zinc/67/43/39/1073674339.db2.gz WYMHSZXQAHSZQR-AWEZNQCLSA-N 0 0 445.567 -0.262 20 30 IBEDRN C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001286814829 1073674352 /nfs/dbraw/zinc/67/43/52/1073674352.db2.gz WYMHSZXQAHSZQR-CQSZACIVSA-N 0 0 445.567 -0.262 20 30 IBEDRN C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H](C)CS(C)(=O)=O ZINC001286814922 1073674198 /nfs/dbraw/zinc/67/41/98/1073674198.db2.gz YEHCITXKKMDJSB-AWEZNQCLSA-N 0 0 447.583 -0.016 20 30 IBEDRN C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)[C@H](C)CS(C)(=O)=O ZINC001286814925 1073674335 /nfs/dbraw/zinc/67/43/35/1073674335.db2.gz YEHCITXKKMDJSB-CQSZACIVSA-N 0 0 447.583 -0.016 20 30 IBEDRN C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 ZINC001286818041 1073674230 /nfs/dbraw/zinc/67/42/30/1073674230.db2.gz AXUIQLPGARGKCY-AWEZNQCLSA-N 0 0 428.540 -0.097 20 30 IBEDRN C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001286818044 1073674279 /nfs/dbraw/zinc/67/42/79/1073674279.db2.gz AXUIQLPGARGKCY-CQSZACIVSA-N 0 0 428.540 -0.097 20 30 IBEDRN C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 ZINC001286819007 1073674706 /nfs/dbraw/zinc/67/47/06/1073674706.db2.gz WNWTTWGVKOLXOF-INIZCTEOSA-N 0 0 437.526 -0.379 20 30 IBEDRN C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 ZINC001286819008 1073674779 /nfs/dbraw/zinc/67/47/79/1073674779.db2.gz WNWTTWGVKOLXOF-MRXNPFEDSA-N 0 0 437.526 -0.379 20 30 IBEDRN C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)NC)CC1 ZINC001286819225 1073674839 /nfs/dbraw/zinc/67/48/39/1073674839.db2.gz DQTDBBTWSPUOEX-CYBMUJFWSA-N 0 0 425.515 -0.709 20 30 IBEDRN C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)NC)CC1 ZINC001286819226 1073674691 /nfs/dbraw/zinc/67/46/91/1073674691.db2.gz DQTDBBTWSPUOEX-ZDUSSCGKSA-N 0 0 425.515 -0.709 20 30 IBEDRN C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](COC)C1 ZINC001286820172 1073674803 /nfs/dbraw/zinc/67/48/03/1073674803.db2.gz GOOBVVBAAXXDNF-CABCVRRESA-N 0 0 448.567 -0.367 20 30 IBEDRN C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](COC)C1 ZINC001286820173 1073674816 /nfs/dbraw/zinc/67/48/16/1073674816.db2.gz GOOBVVBAAXXDNF-GJZGRUSLSA-N 0 0 448.567 -0.367 20 30 IBEDRN C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](COC)C1 ZINC001286820174 1073674752 /nfs/dbraw/zinc/67/47/52/1073674752.db2.gz GOOBVVBAAXXDNF-HUUCEWRRSA-N 0 0 448.567 -0.367 20 30 IBEDRN C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](COC)C1 ZINC001286820175 1073674764 /nfs/dbraw/zinc/67/47/64/1073674764.db2.gz GOOBVVBAAXXDNF-LSDHHAIUSA-N 0 0 448.567 -0.367 20 30 IBEDRN C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC(NS(C)(=O)=O)CC1 ZINC001286820307 1073674798 /nfs/dbraw/zinc/67/47/98/1073674798.db2.gz JBMFIFGPDTYQKO-AWEZNQCLSA-N 0 0 447.583 -0.099 20 30 IBEDRN C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC(NS(C)(=O)=O)CC1 ZINC001286820308 1073674742 /nfs/dbraw/zinc/67/47/42/1073674742.db2.gz JBMFIFGPDTYQKO-CQSZACIVSA-N 0 0 447.583 -0.099 20 30 IBEDRN C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H]2OCO[C@H]2C1 ZINC001286820535 1073674787 /nfs/dbraw/zinc/67/47/87/1073674787.db2.gz MXCBVHRGADQJOP-MCIONIFRSA-N 0 0 432.524 -0.658 20 30 IBEDRN C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@H]2OCO[C@H]2C1 ZINC001286820536 1073674721 /nfs/dbraw/zinc/67/47/21/1073674721.db2.gz MXCBVHRGADQJOP-MELADBBJSA-N 0 0 432.524 -0.658 20 30 IBEDRN C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C(=O)OC)C1 ZINC001286820667 1073674733 /nfs/dbraw/zinc/67/47/33/1073674733.db2.gz OXZQYRMTUWBMMP-KBPBESRZSA-N 0 0 446.551 -0.220 20 30 IBEDRN C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C(=O)OC)C1 ZINC001286820668 1073674848 /nfs/dbraw/zinc/67/48/48/1073674848.db2.gz OXZQYRMTUWBMMP-KGLIPLIRSA-N 0 0 446.551 -0.220 20 30 IBEDRN C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C(=O)OC)C1 ZINC001286820669 1073674768 /nfs/dbraw/zinc/67/47/68/1073674768.db2.gz OXZQYRMTUWBMMP-UONOGXRCSA-N 0 0 446.551 -0.220 20 30 IBEDRN C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C(=O)OC)C1 ZINC001286820670 1073674858 /nfs/dbraw/zinc/67/48/58/1073674858.db2.gz OXZQYRMTUWBMMP-ZIAGYGMSSA-N 0 0 446.551 -0.220 20 30 IBEDRN C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)NC(C)C ZINC001286821046 1073674822 /nfs/dbraw/zinc/67/48/22/1073674822.db2.gz ZBLVLTCUADWVBS-AWEZNQCLSA-N 0 0 447.583 -0.258 20 30 IBEDRN C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)NC(C)C ZINC001286821047 1073674833 /nfs/dbraw/zinc/67/48/33/1073674833.db2.gz ZBLVLTCUADWVBS-CQSZACIVSA-N 0 0 447.583 -0.258 20 30 IBEDRN C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCN2C(=O)CC[C@H]2C1 ZINC001286822258 1073674677 /nfs/dbraw/zinc/67/46/77/1073674677.db2.gz BSHPOULFGYUEAO-HNNXBMFYSA-N 0 0 436.538 -0.188 20 30 IBEDRN C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCN2C(=O)CC[C@@H]2C1 ZINC001286822259 1073674852 /nfs/dbraw/zinc/67/48/52/1073674852.db2.gz BSHPOULFGYUEAO-OAHLLOKOSA-N 0 0 436.538 -0.188 20 30 IBEDRN C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 ZINC001286822759 1073675353 /nfs/dbraw/zinc/67/53/53/1073675353.db2.gz HANLHAKGMPTWCU-AWEZNQCLSA-N 0 0 440.526 -0.112 20 30 IBEDRN C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 ZINC001286822762 1073675398 /nfs/dbraw/zinc/67/53/98/1073675398.db2.gz HANLHAKGMPTWCU-CQSZACIVSA-N 0 0 440.526 -0.112 20 30 IBEDRN C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 ZINC001286822857 1073675413 /nfs/dbraw/zinc/67/54/13/1073675413.db2.gz INWXGDSDBANJCC-CABCVRRESA-N 0 0 436.538 -0.284 20 30 IBEDRN C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1C[C@@H]2NC(=O)CC[C@H]2C1 ZINC001286822858 1073675379 /nfs/dbraw/zinc/67/53/79/1073675379.db2.gz INWXGDSDBANJCC-GJZGRUSLSA-N 0 0 436.538 -0.284 20 30 IBEDRN C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1C[C@H]2CCC(=O)N[C@@H]2C1 ZINC001286822859 1073675298 /nfs/dbraw/zinc/67/52/98/1073675298.db2.gz INWXGDSDBANJCC-HUUCEWRRSA-N 0 0 436.538 -0.284 20 30 IBEDRN C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 ZINC001286822860 1073675305 /nfs/dbraw/zinc/67/53/05/1073675305.db2.gz INWXGDSDBANJCC-LSDHHAIUSA-N 0 0 436.538 -0.284 20 30 IBEDRN C=CCS(=O)(=O)CCn1c(N2CCNC(=O)CC2)nnc1[C@@]1(OCC)CCOC1 ZINC001286824275 1073675276 /nfs/dbraw/zinc/67/52/76/1073675276.db2.gz ADMMXPZQZXCKCJ-GOSISDBHSA-N 0 0 427.527 -0.143 20 30 IBEDRN C=CCS(=O)(=O)CCn1c(N2CCNC(=O)CC2)nnc1[C@]1(OCC)CCOC1 ZINC001286824277 1073675320 /nfs/dbraw/zinc/67/53/20/1073675320.db2.gz ADMMXPZQZXCKCJ-SFHVURJKSA-N 0 0 427.527 -0.143 20 30 IBEDRN C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001286824577 1073675346 /nfs/dbraw/zinc/67/53/46/1073675346.db2.gz FKRHIOUMAPSQKE-AWEZNQCLSA-N 0 0 433.538 -0.420 20 30 IBEDRN C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001286824579 1073675391 /nfs/dbraw/zinc/67/53/91/1073675391.db2.gz FKRHIOUMAPSQKE-CQSZACIVSA-N 0 0 433.538 -0.420 20 30 IBEDRN C=CCS(=O)(=O)CCn1c(N2CCN(C)C(=O)C2)nnc1[C@@]1(OCC)CCOC1 ZINC001286824876 1073675326 /nfs/dbraw/zinc/67/53/26/1073675326.db2.gz JRMFTRLACQJFED-GOSISDBHSA-N 0 0 427.527 -0.191 20 30 IBEDRN C=CCS(=O)(=O)CCn1c(N2CCN(C)C(=O)C2)nnc1[C@]1(OCC)CCOC1 ZINC001286824877 1073675359 /nfs/dbraw/zinc/67/53/59/1073675359.db2.gz JRMFTRLACQJFED-SFHVURJKSA-N 0 0 427.527 -0.191 20 30 IBEDRN C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(S(C)(=O)=O)CC1 ZINC001286825395 1073675405 /nfs/dbraw/zinc/67/54/05/1073675405.db2.gz QMPNSLLAJUZDJT-CQSZACIVSA-N 0 0 433.556 -0.188 20 30 IBEDRN C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCNC(=O)CC1 ZINC001286825414 1073675311 /nfs/dbraw/zinc/67/53/11/1073675311.db2.gz QRDGPQCMDGEKRJ-HOCLYGCPSA-N 0 0 427.527 -0.071 20 30 IBEDRN C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCNC(=O)C1 ZINC001286831772 1073675232 /nfs/dbraw/zinc/67/52/32/1073675232.db2.gz LDUFMSRWEMGLRH-CYBMUJFWSA-N 0 0 430.556 -0.534 20 30 IBEDRN C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCNC(=O)C1 ZINC001286831773 1073675373 /nfs/dbraw/zinc/67/53/73/1073675373.db2.gz LDUFMSRWEMGLRH-ZDUSSCGKSA-N 0 0 430.556 -0.534 20 30 IBEDRN CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCS(=O)(=O)N(C)C ZINC001288159306 1073698804 /nfs/dbraw/zinc/69/88/04/1073698804.db2.gz BIHDYVQZORSWDF-HNNXBMFYSA-N 0 0 438.558 -0.516 20 30 IBEDRN CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCS(=O)(=O)N(C)C ZINC001288159309 1073698922 /nfs/dbraw/zinc/69/89/22/1073698922.db2.gz BIHDYVQZORSWDF-OAHLLOKOSA-N 0 0 438.558 -0.516 20 30 IBEDRN CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCNS(C)(=O)=O ZINC001288159515 1073698845 /nfs/dbraw/zinc/69/88/45/1073698845.db2.gz FREXBHAEPFJWDV-HNNXBMFYSA-N 0 0 438.558 -0.468 20 30 IBEDRN CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCNS(C)(=O)=O ZINC001288159516 1073698852 /nfs/dbraw/zinc/69/88/52/1073698852.db2.gz FREXBHAEPFJWDV-OAHLLOKOSA-N 0 0 438.558 -0.468 20 30 IBEDRN CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CCCN1S(C)(=O)=O ZINC001288169571 1073700051 /nfs/dbraw/zinc/70/00/51/1073700051.db2.gz HGWMMJFQBATVES-KGLIPLIRSA-N 0 0 425.515 -0.431 20 30 IBEDRN CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCCN1S(C)(=O)=O ZINC001288169572 1073700020 /nfs/dbraw/zinc/70/00/20/1073700020.db2.gz HGWMMJFQBATVES-ZIAGYGMSSA-N 0 0 425.515 -0.431 20 30 IBEDRN CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001288170285 1073699888 /nfs/dbraw/zinc/69/98/88/1073699888.db2.gz OVFMJNNDLZIUBM-KBPBESRZSA-N 0 0 425.515 -0.573 20 30 IBEDRN CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001288170291 1073699932 /nfs/dbraw/zinc/69/99/32/1073699932.db2.gz OVFMJNNDLZIUBM-KGLIPLIRSA-N 0 0 425.515 -0.573 20 30 IBEDRN CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001288170477 1073700591 /nfs/dbraw/zinc/70/05/91/1073700591.db2.gz OVFMJNNDLZIUBM-UONOGXRCSA-N 0 0 425.515 -0.573 20 30 IBEDRN CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001288170478 1073700435 /nfs/dbraw/zinc/70/04/35/1073700435.db2.gz OVFMJNNDLZIUBM-ZIAGYGMSSA-N 0 0 425.515 -0.573 20 30 IBEDRN CC(C)O[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CC(=O)N2CCOCC2)CCOC1 ZINC001288321055 1073704067 /nfs/dbraw/zinc/70/40/67/1073704067.db2.gz GEBKEFKQSCLKMR-JXFKEZNVSA-N 0 0 434.497 -0.094 20 30 IBEDRN CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CC(=O)N2CCOCC2)CCOC1 ZINC001288321056 1073703994 /nfs/dbraw/zinc/70/39/94/1073703994.db2.gz GEBKEFKQSCLKMR-OXJNMPFZSA-N 0 0 434.497 -0.094 20 30 IBEDRN CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CC(=O)N2CCOCC2)CCOC1 ZINC001288321057 1073704059 /nfs/dbraw/zinc/70/40/59/1073704059.db2.gz GEBKEFKQSCLKMR-OXQOHEQNSA-N 0 0 434.497 -0.094 20 30 IBEDRN CC(C)O[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CC(=O)N2CCOCC2)CCOC1 ZINC001288321058 1073704073 /nfs/dbraw/zinc/70/40/73/1073704073.db2.gz GEBKEFKQSCLKMR-UZLBHIALSA-N 0 0 434.497 -0.094 20 30 IBEDRN C[C@@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC[C@H](CO)O1 ZINC001288525843 1073704709 /nfs/dbraw/zinc/70/47/09/1073704709.db2.gz QTKGKAHOXNUCFY-CAOSSQGBSA-N 0 0 442.542 -0.111 20 30 IBEDRN C[C@@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC[C@H](CO)O1 ZINC001288525844 1073704665 /nfs/dbraw/zinc/70/46/65/1073704665.db2.gz QTKGKAHOXNUCFY-JONQDZQNSA-N 0 0 442.542 -0.111 20 30 IBEDRN C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC[C@H](CO)O1 ZINC001288525845 1073704426 /nfs/dbraw/zinc/70/44/26/1073704426.db2.gz QTKGKAHOXNUCFY-QKPAOTATSA-N 0 0 442.542 -0.111 20 30 IBEDRN C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC[C@H](CO)O1 ZINC001288525846 1073705204 /nfs/dbraw/zinc/70/52/04/1073705204.db2.gz QTKGKAHOXNUCFY-QXSJWSMHSA-N 0 0 442.542 -0.111 20 30 IBEDRN C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1CCS(=O)(=O)C1 ZINC001288825778 1073712987 /nfs/dbraw/zinc/71/29/87/1073712987.db2.gz LNXQSVWNXPJMKW-HUBLWGQQSA-N 0 0 434.519 -0.235 20 30 IBEDRN C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H]1CCS(=O)(=O)C1 ZINC001288825779 1073712943 /nfs/dbraw/zinc/71/29/43/1073712943.db2.gz LNXQSVWNXPJMKW-SLEUVZQESA-N 0 0 434.519 -0.235 20 30 IBEDRN C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H]1CCS(=O)(=O)C1 ZINC001288825780 1073713018 /nfs/dbraw/zinc/71/30/18/1073713018.db2.gz LNXQSVWNXPJMKW-YWPYICTPSA-N 0 0 434.519 -0.235 20 30 IBEDRN C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1CCS(=O)(=O)C1 ZINC001288825781 1073713023 /nfs/dbraw/zinc/71/30/23/1073713023.db2.gz LNXQSVWNXPJMKW-ZOWXZIJZSA-N 0 0 434.519 -0.235 20 30 IBEDRN CC(C)(C)OC(=O)CN1CCC[C@@H](C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)C1=O ZINC001289205909 1073722473 /nfs/dbraw/zinc/72/24/73/1073722473.db2.gz ONWPENVGKKHHHH-KSMMKXTCSA-N 0 0 425.507 -0.037 20 30 IBEDRN CC(C)(C)OC(=O)CN1CCC[C@H](C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)C1=O ZINC001289205913 1073722687 /nfs/dbraw/zinc/72/26/87/1073722687.db2.gz ONWPENVGKKHHHH-NJSLBKSFSA-N 0 0 425.507 -0.037 20 30 IBEDRN Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 ZINC001289435941 1073723033 /nfs/dbraw/zinc/72/30/33/1073723033.db2.gz GSKUWQQDRFZSTF-SUMWQHHRSA-N 0 0 442.519 -0.944 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@@H]3[C@](C(F)(F)F)(C2)CCCS3(=O)=O)C1=O ZINC001289631567 1073723515 /nfs/dbraw/zinc/72/35/15/1073723515.db2.gz JHNYUTVEFJPAQJ-MEBBXXQBSA-N 0 0 437.396 -0.069 20 30 IBEDRN C[C@@]1(CC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCS(=O)(=O)N1 ZINC001290637568 1073730367 /nfs/dbraw/zinc/73/03/67/1073730367.db2.gz SDUOQQZSJDBZMM-KRWDZBQOSA-N 0 0 426.520 -0.137 20 30 IBEDRN C[C@]1(CC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCS(=O)(=O)N1 ZINC001290637569 1073730373 /nfs/dbraw/zinc/73/03/73/1073730373.db2.gz SDUOQQZSJDBZMM-QGZVFWFLSA-N 0 0 426.520 -0.137 20 30 IBEDRN Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CCN2CCCS2(=O)=O)n1 ZINC001290647286 1073730767 /nfs/dbraw/zinc/73/07/67/1073730767.db2.gz NOLYLQLBEONBSP-INIZCTEOSA-N 0 0 434.526 -0.096 20 30 IBEDRN Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2CCN2CCCS2(=O)=O)n1 ZINC001290647287 1073730815 /nfs/dbraw/zinc/73/08/15/1073730815.db2.gz NOLYLQLBEONBSP-MRXNPFEDSA-N 0 0 434.526 -0.096 20 30 IBEDRN C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)CC(=O)N[C@@H]2CCS(=O)(=O)C2)s1 ZINC001290930233 1073734265 /nfs/dbraw/zinc/73/42/65/1073734265.db2.gz APYJNXKYEGMIQR-GFCCVEGCSA-N 0 0 449.576 -0.483 20 30 IBEDRN C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)CC(=O)N[C@H]2CCS(=O)(=O)C2)s1 ZINC001290930235 1073734349 /nfs/dbraw/zinc/73/43/49/1073734349.db2.gz APYJNXKYEGMIQR-LBPRGKRZSA-N 0 0 449.576 -0.483 20 30 IBEDRN CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c1 ZINC001292654485 1073749628 /nfs/dbraw/zinc/74/96/28/1073749628.db2.gz HDAUOMKJOQHHRR-MSOLQXFVSA-N 0 0 440.543 -0.289 20 30 IBEDRN CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c1 ZINC001292654486 1073749565 /nfs/dbraw/zinc/74/95/65/1073749565.db2.gz HDAUOMKJOQHHRR-QZTJIDSGSA-N 0 0 440.543 -0.289 20 30 IBEDRN CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c1 ZINC001292654487 1073749436 /nfs/dbraw/zinc/74/94/36/1073749436.db2.gz HDAUOMKJOQHHRR-ROUUACIJSA-N 0 0 440.543 -0.289 20 30 IBEDRN CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c1 ZINC001292654488 1073749530 /nfs/dbraw/zinc/74/95/30/1073749530.db2.gz HDAUOMKJOQHHRR-ZWKOTPCHSA-N 0 0 440.543 -0.289 20 30 IBEDRN C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CN(C)C(=O)CN2C(=O)OC(C)(C)C)CC1 ZINC001292889546 1073752113 /nfs/dbraw/zinc/75/21/13/1073752113.db2.gz FAODXCLZGZRHFM-INIZCTEOSA-N 0 0 435.525 -0.652 20 30 IBEDRN C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CN(C)C(=O)CN2C(=O)OC(C)(C)C)CC1 ZINC001292889547 1073752144 /nfs/dbraw/zinc/75/21/44/1073752144.db2.gz FAODXCLZGZRHFM-MRXNPFEDSA-N 0 0 435.525 -0.652 20 30 IBEDRN CCc1nnc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1CCNC(=O)C1N=CC=CC1=O ZINC001293141547 1073757402 /nfs/dbraw/zinc/75/74/02/1073757402.db2.gz VFPXPGDQQGRLEV-CMTMBAJVSA-N 0 0 437.526 -0.163 20 30 IBEDRN CCc1nnc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1CCNC(=O)C1N=CC=CC1=O ZINC001293141548 1073757363 /nfs/dbraw/zinc/75/73/63/1073757363.db2.gz VFPXPGDQQGRLEV-WPCFGXOUSA-N 0 0 437.526 -0.163 20 30 IBEDRN CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)N2CCN(C(=O)CC#N)CC2)s1 ZINC001294721187 1073764900 /nfs/dbraw/zinc/76/49/00/1073764900.db2.gz DSRPYVCVNBQOAY-UHFFFAOYSA-N 0 0 427.508 -0.753 20 30 IBEDRN CS(=O)(=O)CCS(=O)(=O)c1ccccc1C(=O)N1CCN(C(=O)CC#N)CC1 ZINC001294721845 1073764910 /nfs/dbraw/zinc/76/49/10/1073764910.db2.gz IEIOAEUNPBTLHU-UHFFFAOYSA-N 0 0 427.504 -0.297 20 30 IBEDRN CCCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CC#N ZINC001294902625 1073767579 /nfs/dbraw/zinc/76/75/79/1073767579.db2.gz JOKWINHMDMYDEE-KBPBESRZSA-N 0 0 427.531 -0.124 20 30 IBEDRN CCCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC#N ZINC001294902638 1073767601 /nfs/dbraw/zinc/76/76/01/1073767601.db2.gz JOKWINHMDMYDEE-KGLIPLIRSA-N 0 0 427.531 -0.124 20 30 IBEDRN CCCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CC#N ZINC001294902640 1073767668 /nfs/dbraw/zinc/76/76/68/1073767668.db2.gz JOKWINHMDMYDEE-UONOGXRCSA-N 0 0 427.531 -0.124 20 30 IBEDRN CCCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC#N ZINC001294902642 1073767660 /nfs/dbraw/zinc/76/76/60/1073767660.db2.gz JOKWINHMDMYDEE-ZIAGYGMSSA-N 0 0 427.531 -0.124 20 30 IBEDRN CCN(C)C(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 ZINC001295055217 1073769147 /nfs/dbraw/zinc/76/91/47/1073769147.db2.gz HCYAEEJFURPGPV-DZGCQCFKSA-N 0 0 438.558 -0.457 20 30 IBEDRN CCN(C)C(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 ZINC001295055218 1073769095 /nfs/dbraw/zinc/76/90/95/1073769095.db2.gz HCYAEEJFURPGPV-HIFRSBDPSA-N 0 0 438.558 -0.457 20 30 IBEDRN CCN(C)C(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 ZINC001295055219 1073769015 /nfs/dbraw/zinc/76/90/15/1073769015.db2.gz HCYAEEJFURPGPV-UKRRQHHQSA-N 0 0 438.558 -0.457 20 30 IBEDRN CCN(C)C(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 ZINC001295055220 1073769086 /nfs/dbraw/zinc/76/90/86/1073769086.db2.gz HCYAEEJFURPGPV-ZFWWWQNUSA-N 0 0 438.558 -0.457 20 30 IBEDRN CCn1cccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)c1=O ZINC001295939642 1073777390 /nfs/dbraw/zinc/77/73/90/1073777390.db2.gz ZZFJTVHDOUOKHN-DZGCQCFKSA-N 0 0 435.510 -0.153 20 30 IBEDRN CCn1cccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)c1=O ZINC001295939643 1073777235 /nfs/dbraw/zinc/77/72/35/1073777235.db2.gz ZZFJTVHDOUOKHN-HIFRSBDPSA-N 0 0 435.510 -0.153 20 30 IBEDRN CCn1cccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)c1=O ZINC001295939644 1073777326 /nfs/dbraw/zinc/77/73/26/1073777326.db2.gz ZZFJTVHDOUOKHN-UKRRQHHQSA-N 0 0 435.510 -0.153 20 30 IBEDRN CCn1cccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)c1=O ZINC001295939645 1073777360 /nfs/dbraw/zinc/77/73/60/1073777360.db2.gz ZZFJTVHDOUOKHN-ZFWWWQNUSA-N 0 0 435.510 -0.153 20 30 IBEDRN CCOC1CC(O)(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)C1 ZINC001296958809 1073793119 /nfs/dbraw/zinc/79/31/19/1073793119.db2.gz CUMORMIZQUDOJU-CQDIZWNASA-N 0 0 425.511 -0.161 20 30 IBEDRN CCOC1CC(O)(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)C1 ZINC001296958810 1073793132 /nfs/dbraw/zinc/79/31/32/1073793132.db2.gz CUMORMIZQUDOJU-GBRKPNRJSA-N 0 0 425.511 -0.161 20 30 IBEDRN CCOC1CC(O)(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)C1 ZINC001296958811 1073793153 /nfs/dbraw/zinc/79/31/53/1073793153.db2.gz CUMORMIZQUDOJU-XYSPPFBYSA-N 0 0 425.511 -0.161 20 30 IBEDRN CCOC1CC(O)(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)C1 ZINC001296958812 1073793147 /nfs/dbraw/zinc/79/31/47/1073793147.db2.gz CUMORMIZQUDOJU-YOFIQYCBSA-N 0 0 425.511 -0.161 20 30 IBEDRN CCOCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1 ZINC001297491489 1073799213 /nfs/dbraw/zinc/79/92/13/1073799213.db2.gz OGUHRHHXODLODH-CABCVRRESA-N 0 0 428.515 -0.234 20 30 IBEDRN CCOCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1 ZINC001297491490 1073799283 /nfs/dbraw/zinc/79/92/83/1073799283.db2.gz OGUHRHHXODLODH-GJZGRUSLSA-N 0 0 428.515 -0.234 20 30 IBEDRN CCOCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1 ZINC001297491491 1073799706 /nfs/dbraw/zinc/79/97/06/1073799706.db2.gz OGUHRHHXODLODH-HUUCEWRRSA-N 0 0 428.515 -0.234 20 30 IBEDRN CCOCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1 ZINC001297491492 1073799877 /nfs/dbraw/zinc/79/98/77/1073799877.db2.gz OGUHRHHXODLODH-LSDHHAIUSA-N 0 0 428.515 -0.234 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)[C@@H]2C[C@H](O)CN2C(=O)Cc2ccccc2F)CC1 ZINC001297515859 1073799773 /nfs/dbraw/zinc/79/97/73/1073799773.db2.gz BXEMRYVAWJMYIJ-HKUYNNGSSA-N 0 0 430.480 -0.776 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)[C@H]2C[C@@H](O)CN2C(=O)Cc2ccccc2F)CC1 ZINC001297515865 1073799691 /nfs/dbraw/zinc/79/96/91/1073799691.db2.gz BXEMRYVAWJMYIJ-IEBWSBKVSA-N 0 0 430.480 -0.776 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)[C@@H]2C[C@@H](O)CN2C(=O)Cc2ccccc2F)CC1 ZINC001297515867 1073799736 /nfs/dbraw/zinc/79/97/36/1073799736.db2.gz BXEMRYVAWJMYIJ-MJGOQNOKSA-N 0 0 430.480 -0.776 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)[C@H]2C[C@H](O)CN2C(=O)Cc2ccccc2F)CC1 ZINC001297515869 1073799766 /nfs/dbraw/zinc/79/97/66/1073799766.db2.gz BXEMRYVAWJMYIJ-PKOBYXMFSA-N 0 0 430.480 -0.776 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)[C@H](CC(N)=O)NC(=O)c2ccccc2Cl)CC1 ZINC001297515886 1073799806 /nfs/dbraw/zinc/79/98/06/1073799806.db2.gz CFFZFXGVFCUPFZ-INIZCTEOSA-N 0 0 433.896 -0.793 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)[C@@H](CC(N)=O)NC(=O)c2ccccc2Cl)CC1 ZINC001297515887 1073799678 /nfs/dbraw/zinc/79/96/78/1073799678.db2.gz CFFZFXGVFCUPFZ-MRXNPFEDSA-N 0 0 433.896 -0.793 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)C2(C(=O)OC(C)(C)C)CCS(=O)(=O)CC2)CC1 ZINC001297516731 1073799712 /nfs/dbraw/zinc/79/97/12/1073799712.db2.gz JVIFZGJOKKYNDH-UHFFFAOYSA-N 0 0 441.550 -0.583 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)[C@@]2(F)CN(C(=O)OC(C)(C)C)CC23COC3)CC1 ZINC001297518141 1073799726 /nfs/dbraw/zinc/79/97/26/1073799726.db2.gz XESQJNMCYHWJSR-NRFANRHFSA-N 0 0 438.500 -0.144 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)[C@]2(F)CN(C(=O)OC(C)(C)C)CC23COC3)CC1 ZINC001297518144 1073799819 /nfs/dbraw/zinc/79/98/19/1073799819.db2.gz XESQJNMCYHWJSR-OAQYLSRUSA-N 0 0 438.500 -0.144 20 30 IBEDRN CCS(=O)(=O)NCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 ZINC001297782057 1073807703 /nfs/dbraw/zinc/80/77/03/1073807703.db2.gz CXETUHDHRKKUDJ-CABCVRRESA-N 0 0 436.542 -0.655 20 30 IBEDRN CCS(=O)(=O)NCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 ZINC001297782059 1073807823 /nfs/dbraw/zinc/80/78/23/1073807823.db2.gz CXETUHDHRKKUDJ-GJZGRUSLSA-N 0 0 436.542 -0.655 20 30 IBEDRN CCS(=O)(=O)NCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 ZINC001297782063 1073807765 /nfs/dbraw/zinc/80/77/65/1073807765.db2.gz CXETUHDHRKKUDJ-HUUCEWRRSA-N 0 0 436.542 -0.655 20 30 IBEDRN CCS(=O)(=O)NCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 ZINC001297782066 1073807836 /nfs/dbraw/zinc/80/78/36/1073807836.db2.gz CXETUHDHRKKUDJ-LSDHHAIUSA-N 0 0 436.542 -0.655 20 30 IBEDRN COC(=O)C1(C#N)CCN(C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)CC1 ZINC001297803399 1073809692 /nfs/dbraw/zinc/80/96/92/1073809692.db2.gz WGOJFSVIVQDQIF-UHFFFAOYSA-N 0 0 434.474 -0.274 20 30 IBEDRN CN(C)C(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 ZINC001298005151 1073814948 /nfs/dbraw/zinc/81/49/48/1073814948.db2.gz MJPJMTZQVLENSJ-AWEZNQCLSA-N 0 0 425.515 -0.561 20 30 IBEDRN CN(C)C(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 ZINC001298005152 1073815114 /nfs/dbraw/zinc/81/51/14/1073815114.db2.gz MJPJMTZQVLENSJ-CQSZACIVSA-N 0 0 425.515 -0.561 20 30 IBEDRN CN(CCNS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CC(=O)N1CCOCC1 ZINC001298742769 1073825272 /nfs/dbraw/zinc/82/52/72/1073825272.db2.gz LPSFPRIVPQSCDH-UHFFFAOYSA-N 0 0 447.521 -0.339 20 30 IBEDRN CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N2CCOCC2)CCO1 ZINC001299137545 1073841688 /nfs/dbraw/zinc/84/16/88/1073841688.db2.gz IWYPASOQIXOHQQ-KRWDZBQOSA-N 0 0 439.476 -0.373 20 30 IBEDRN CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N2CCOCC2)CCO1 ZINC001299137546 1073841744 /nfs/dbraw/zinc/84/17/44/1073841744.db2.gz IWYPASOQIXOHQQ-QGZVFWFLSA-N 0 0 439.476 -0.373 20 30 IBEDRN O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCS(=O)(=O)[C@@H]2COCC[C@@H]21 ZINC001299145071 1073843826 /nfs/dbraw/zinc/84/38/26/1073843826.db2.gz WADZNTSURCUDRZ-DZGCQCFKSA-N 0 0 427.504 -0.470 20 30 IBEDRN O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCS(=O)(=O)[C@@H]2COCC[C@H]21 ZINC001299145072 1073843857 /nfs/dbraw/zinc/84/38/57/1073843857.db2.gz WADZNTSURCUDRZ-UKRRQHHQSA-N 0 0 427.504 -0.470 20 30 IBEDRN CC(C)NS(=O)(=O)N1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC001299199993 1072887436 /nfs/dbraw/zinc/88/74/36/1072887436.db2.gz ZRJGYZCOGKKSHN-UHFFFAOYSA-N 0 0 429.524 -0.776 20 30 IBEDRN CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 ZINC001299263496 1073066257 /nfs/dbraw/zinc/06/62/57/1073066257.db2.gz XMUNXILGJWJUNT-UHFFFAOYSA-N 0 0 447.521 -0.054 20 30 IBEDRN CNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)NC)CC1 ZINC001299279743 1073236087 /nfs/dbraw/zinc/23/60/87/1073236087.db2.gz PEAFKJOCOQYJKO-UHFFFAOYSA-N 0 0 432.510 -0.173 20 30 IBEDRN CNS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@@H](C#N)C1 ZINC001299314206 1073459683 /nfs/dbraw/zinc/45/96/83/1073459683.db2.gz ZQVRTKOCRGHJAZ-HNNXBMFYSA-N 0 0 430.494 -0.205 20 30 IBEDRN CNS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@H](C#N)C1 ZINC001299314207 1073459587 /nfs/dbraw/zinc/45/95/87/1073459587.db2.gz ZQVRTKOCRGHJAZ-OAHLLOKOSA-N 0 0 430.494 -0.205 20 30 IBEDRN C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(S(C)(=O)=O)CC1 ZINC001300306977 1074338783 /nfs/dbraw/zinc/33/87/83/1074338783.db2.gz AZSAIZDTSGAFJB-KBPBESRZSA-N 0 0 445.567 -0.354 20 30 IBEDRN C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(S(C)(=O)=O)CC1 ZINC001300306978 1074339292 /nfs/dbraw/zinc/33/92/92/1074339292.db2.gz AZSAIZDTSGAFJB-KGLIPLIRSA-N 0 0 445.567 -0.354 20 30 IBEDRN C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(S(C)(=O)=O)CC1 ZINC001300306979 1074339312 /nfs/dbraw/zinc/33/93/12/1074339312.db2.gz AZSAIZDTSGAFJB-UONOGXRCSA-N 0 0 445.567 -0.354 20 30 IBEDRN C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(S(C)(=O)=O)CC1 ZINC001300306980 1074339203 /nfs/dbraw/zinc/33/92/03/1074339203.db2.gz AZSAIZDTSGAFJB-ZIAGYGMSSA-N 0 0 445.567 -0.354 20 30 IBEDRN C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)CCOC ZINC001300308275 1074339334 /nfs/dbraw/zinc/33/93/34/1074339334.db2.gz OHPAOSPSNKVGNA-DAYGRLMNSA-N 0 0 429.543 -0.144 20 30 IBEDRN C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)CCOC ZINC001300308276 1074339252 /nfs/dbraw/zinc/33/92/52/1074339252.db2.gz OHPAOSPSNKVGNA-HDMKZQKVSA-N 0 0 429.543 -0.144 20 30 IBEDRN C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)CCOC ZINC001300308277 1074339324 /nfs/dbraw/zinc/33/93/24/1074339324.db2.gz OHPAOSPSNKVGNA-MPGHIAIKSA-N 0 0 429.543 -0.144 20 30 IBEDRN C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)CCOC ZINC001300308278 1074339380 /nfs/dbraw/zinc/33/93/80/1074339380.db2.gz OHPAOSPSNKVGNA-RLFYNMQTSA-N 0 0 429.543 -0.144 20 30 IBEDRN C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCS(=O)(=O)C1 ZINC001300308381 1074339355 /nfs/dbraw/zinc/33/93/55/1074339355.db2.gz BVMZVMUKYOTSBA-KKUMJFAQSA-N 0 0 445.567 -0.496 20 30 IBEDRN C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCS(=O)(=O)C1 ZINC001300308382 1074339212 /nfs/dbraw/zinc/33/92/12/1074339212.db2.gz BVMZVMUKYOTSBA-RRFJBIMHSA-N 0 0 445.567 -0.496 20 30 IBEDRN C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCS(=O)(=O)C1 ZINC001300308383 1074339346 /nfs/dbraw/zinc/33/93/46/1074339346.db2.gz BVMZVMUKYOTSBA-SOUVJXGZSA-N 0 0 445.567 -0.496 20 30 IBEDRN C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCS(=O)(=O)C1 ZINC001300308384 1074339302 /nfs/dbraw/zinc/33/93/02/1074339302.db2.gz BVMZVMUKYOTSBA-ZNMIVQPWSA-N 0 0 445.567 -0.496 20 30 IBEDRN C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1NC(=O)CC1(C)C ZINC001300309159 1074339391 /nfs/dbraw/zinc/33/93/91/1074339391.db2.gz GFJAGCMHOAXASY-KKUMJFAQSA-N 0 0 438.554 -0.016 20 30 IBEDRN C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1NC(=O)CC1(C)C ZINC001300309162 1074339365 /nfs/dbraw/zinc/33/93/65/1074339365.db2.gz GFJAGCMHOAXASY-RRFJBIMHSA-N 0 0 438.554 -0.016 20 30 IBEDRN C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1NC(=O)CC1(C)C ZINC001300309167 1074339281 /nfs/dbraw/zinc/33/92/81/1074339281.db2.gz GFJAGCMHOAXASY-SOUVJXGZSA-N 0 0 438.554 -0.016 20 30 IBEDRN C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1NC(=O)CC1(C)C ZINC001300309170 1074339243 /nfs/dbraw/zinc/33/92/43/1074339243.db2.gz GFJAGCMHOAXASY-ZNMIVQPWSA-N 0 0 438.554 -0.016 20 30 IBEDRN C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCOC[C@H]1C ZINC001300310294 1074339220 /nfs/dbraw/zinc/33/92/20/1074339220.db2.gz LXBSUQHWFZARRL-BBWFWOEESA-N 0 0 440.570 -0.210 20 30 IBEDRN C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCOC[C@H]1C ZINC001300310295 1074339170 /nfs/dbraw/zinc/33/91/70/1074339170.db2.gz LXBSUQHWFZARRL-GVDBMIGSSA-N 0 0 440.570 -0.210 20 30 IBEDRN C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCOC[C@@H]1C ZINC001300310296 1074339405 /nfs/dbraw/zinc/33/94/05/1074339405.db2.gz LXBSUQHWFZARRL-ULQDDVLXSA-N 0 0 440.570 -0.210 20 30 IBEDRN C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCOC[C@@H]1C ZINC001300310297 1074339260 /nfs/dbraw/zinc/33/92/60/1074339260.db2.gz LXBSUQHWFZARRL-YESZJQIVSA-N 0 0 440.570 -0.210 20 30 IBEDRN C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(C)COCCO1 ZINC001300310655 1074339196 /nfs/dbraw/zinc/33/91/96/1074339196.db2.gz YIDRDOZOPVTHBK-DAYGRLMNSA-N 0 0 427.527 -0.126 20 30 IBEDRN C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(C)COCCO1 ZINC001300310656 1074339732 /nfs/dbraw/zinc/33/97/32/1074339732.db2.gz YIDRDOZOPVTHBK-HDMKZQKVSA-N 0 0 427.527 -0.126 20 30 IBEDRN C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(C)COCCO1 ZINC001300310657 1074339642 /nfs/dbraw/zinc/33/96/42/1074339642.db2.gz YIDRDOZOPVTHBK-MPGHIAIKSA-N 0 0 427.527 -0.126 20 30 IBEDRN C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(C)COCCO1 ZINC001300310658 1074339695 /nfs/dbraw/zinc/33/96/95/1074339695.db2.gz YIDRDOZOPVTHBK-RLFYNMQTSA-N 0 0 427.527 -0.126 20 30 IBEDRN C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCS(=O)(=O)CC=C ZINC001300310885 1074339636 /nfs/dbraw/zinc/33/96/36/1074339636.db2.gz PQQLZURTYVALBM-CABCVRRESA-N 0 0 445.567 -0.330 20 30 IBEDRN C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCS(=O)(=O)CC=C ZINC001300310891 1074339610 /nfs/dbraw/zinc/33/96/10/1074339610.db2.gz PQQLZURTYVALBM-GJZGRUSLSA-N 0 0 445.567 -0.330 20 30 IBEDRN C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCS(=O)(=O)CC=C ZINC001300310893 1074339589 /nfs/dbraw/zinc/33/95/89/1074339589.db2.gz PQQLZURTYVALBM-HUUCEWRRSA-N 0 0 445.567 -0.330 20 30 IBEDRN C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCS(=O)(=O)CC=C ZINC001300310894 1074339575 /nfs/dbraw/zinc/33/95/75/1074339575.db2.gz PQQLZURTYVALBM-LSDHHAIUSA-N 0 0 445.567 -0.330 20 30 IBEDRN C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC[C@H](CO)O1 ZINC001300312349 1074339719 /nfs/dbraw/zinc/33/97/19/1074339719.db2.gz YVFBYZGQJWJHSQ-CAOSSQGBSA-N 0 0 427.527 -0.391 20 30 IBEDRN C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC[C@H](CO)O1 ZINC001300312351 1074339687 /nfs/dbraw/zinc/33/96/87/1074339687.db2.gz YVFBYZGQJWJHSQ-JONQDZQNSA-N 0 0 427.527 -0.391 20 30 IBEDRN C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC[C@H](CO)O1 ZINC001300312353 1074339741 /nfs/dbraw/zinc/33/97/41/1074339741.db2.gz YVFBYZGQJWJHSQ-QKPAOTATSA-N 0 0 427.527 -0.391 20 30 IBEDRN C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC[C@H](CO)O1 ZINC001300312355 1074339646 /nfs/dbraw/zinc/33/96/46/1074339646.db2.gz YVFBYZGQJWJHSQ-QXSJWSMHSA-N 0 0 427.527 -0.391 20 30 IBEDRN C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 ZINC001300336273 1074339944 /nfs/dbraw/zinc/33/99/44/1074339944.db2.gz BKXMLGIZQIAUDK-UHFFFAOYSA-N 0 0 428.501 -0.445 20 30 IBEDRN C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS(=O)(=O)CC1 ZINC001300365469 1074339964 /nfs/dbraw/zinc/33/99/64/1074339964.db2.gz XNVYWTCBSARSMF-HNNXBMFYSA-N 0 0 445.567 -0.351 20 30 IBEDRN C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS(=O)(=O)CC1 ZINC001300365470 1074340005 /nfs/dbraw/zinc/34/00/05/1074340005.db2.gz XNVYWTCBSARSMF-OAHLLOKOSA-N 0 0 445.567 -0.351 20 30 IBEDRN C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(NS(C)(=O)=O)CC1 ZINC001300380496 1074340141 /nfs/dbraw/zinc/34/01/41/1074340141.db2.gz CJPYNMOCOYYVJT-CYBMUJFWSA-N 0 0 432.572 -0.180 20 30 IBEDRN C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(NS(C)(=O)=O)CC1 ZINC001300380505 1074340012 /nfs/dbraw/zinc/34/00/12/1074340012.db2.gz CJPYNMOCOYYVJT-ZDUSSCGKSA-N 0 0 432.572 -0.180 20 30 IBEDRN C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C(=O)NC)C1 ZINC001300409642 1074340586 /nfs/dbraw/zinc/34/05/86/1074340586.db2.gz IZYSQJKCPRPALM-CVEARBPZSA-N 0 0 438.554 -0.013 20 30 IBEDRN C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C(=O)NC)C1 ZINC001300409643 1074340456 /nfs/dbraw/zinc/34/04/56/1074340456.db2.gz IZYSQJKCPRPALM-HOTGVXAUSA-N 0 0 438.554 -0.013 20 30 IBEDRN C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C(=O)NC)C1 ZINC001300409645 1074340667 /nfs/dbraw/zinc/34/06/67/1074340667.db2.gz IZYSQJKCPRPALM-HZPDHXFCSA-N 0 0 438.554 -0.013 20 30 IBEDRN C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C(=O)NC)C1 ZINC001300409647 1074340981 /nfs/dbraw/zinc/34/09/81/1074340981.db2.gz IZYSQJKCPRPALM-JKSUJKDBSA-N 0 0 438.554 -0.013 20 30 IBEDRN C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2C(=O)NC[C@@H]2C1 ZINC001300411306 1074341035 /nfs/dbraw/zinc/34/10/35/1074341035.db2.gz RZKVTZPQACFBNP-CABCVRRESA-N 0 0 437.526 -0.762 20 30 IBEDRN C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2C(=O)NC[C@H]2C1 ZINC001300411316 1074340997 /nfs/dbraw/zinc/34/09/97/1074340997.db2.gz RZKVTZPQACFBNP-GJZGRUSLSA-N 0 0 437.526 -0.762 20 30 IBEDRN C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2C(=O)NC[C@@H]2C1 ZINC001300411318 1074340941 /nfs/dbraw/zinc/34/09/41/1074340941.db2.gz RZKVTZPQACFBNP-HUUCEWRRSA-N 0 0 437.526 -0.762 20 30 IBEDRN C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2C(=O)NC[C@H]2C1 ZINC001300411319 1074340972 /nfs/dbraw/zinc/34/09/72/1074340972.db2.gz RZKVTZPQACFBNP-LSDHHAIUSA-N 0 0 437.526 -0.762 20 30 IBEDRN C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(=O)NC)CC1 ZINC001300411744 1074341056 /nfs/dbraw/zinc/34/10/56/1074341056.db2.gz WMPJTRUSKDONBW-INIZCTEOSA-N 0 0 438.554 -0.013 20 30 IBEDRN C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(=O)NC)CC1 ZINC001300411745 1074340931 /nfs/dbraw/zinc/34/09/31/1074340931.db2.gz WMPJTRUSKDONBW-MRXNPFEDSA-N 0 0 438.554 -0.013 20 30 IBEDRN C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001300412151 1074340910 /nfs/dbraw/zinc/34/09/10/1074340910.db2.gz YMMMQCQAMXMQSG-CABCVRRESA-N 0 0 445.567 -0.352 20 30 IBEDRN C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001300412153 1074340876 /nfs/dbraw/zinc/34/08/76/1074340876.db2.gz YMMMQCQAMXMQSG-GJZGRUSLSA-N 0 0 445.567 -0.352 20 30 IBEDRN C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001300412155 1074340832 /nfs/dbraw/zinc/34/08/32/1074340832.db2.gz YMMMQCQAMXMQSG-HUUCEWRRSA-N 0 0 445.567 -0.352 20 30 IBEDRN C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001300412157 1074340866 /nfs/dbraw/zinc/34/08/66/1074340866.db2.gz YMMMQCQAMXMQSG-LSDHHAIUSA-N 0 0 445.567 -0.352 20 30 IBEDRN C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 ZINC001300421264 1074340850 /nfs/dbraw/zinc/34/08/50/1074340850.db2.gz ASSDZBHHRFQMOH-UHFFFAOYSA-N 0 0 429.525 -0.013 20 30 IBEDRN C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001300421648 1074340898 /nfs/dbraw/zinc/34/08/98/1074340898.db2.gz NBZZUQCYFSYVFS-AWEZNQCLSA-N 0 0 441.517 -0.170 20 30 IBEDRN C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001300421649 1074341045 /nfs/dbraw/zinc/34/10/45/1074341045.db2.gz NBZZUQCYFSYVFS-CQSZACIVSA-N 0 0 441.517 -0.170 20 30 IBEDRN C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCNS(=O)(=O)c1ccccc1 ZINC001300431500 1074340887 /nfs/dbraw/zinc/34/08/87/1074340887.db2.gz XABYJIIPXJUZHN-AWEZNQCLSA-N 0 0 440.551 -0.064 20 30 IBEDRN C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCNS(=O)(=O)c1ccccc1 ZINC001300431501 1074340921 /nfs/dbraw/zinc/34/09/21/1074340921.db2.gz XABYJIIPXJUZHN-CQSZACIVSA-N 0 0 440.551 -0.064 20 30 IBEDRN C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCNC(=O)c1ccco1 ZINC001300464340 1074341459 /nfs/dbraw/zinc/34/14/59/1074341459.db2.gz BLFZHNZIAVMOCI-HNNXBMFYSA-N 0 0 436.494 -0.297 20 30 IBEDRN C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCNC(=O)c1ccco1 ZINC001300464341 1074341255 /nfs/dbraw/zinc/34/12/55/1074341255.db2.gz BLFZHNZIAVMOCI-OAHLLOKOSA-N 0 0 436.494 -0.297 20 30 IBEDRN C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C(N)=O)cc1 ZINC001300464708 1074341517 /nfs/dbraw/zinc/34/15/17/1074341517.db2.gz HOGISUAUAXNVJS-INIZCTEOSA-N 0 0 432.506 -0.172 20 30 IBEDRN C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C(N)=O)cc1 ZINC001300464725 1074341268 /nfs/dbraw/zinc/34/12/68/1074341268.db2.gz HOGISUAUAXNVJS-MRXNPFEDSA-N 0 0 432.506 -0.172 20 30 IBEDRN C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCOC(C)(C)C1 ZINC001300465370 1074341393 /nfs/dbraw/zinc/34/13/93/1074341393.db2.gz MBYONEPQQOPLRG-INIZCTEOSA-N 0 0 440.570 -0.209 20 30 IBEDRN C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCOC(C)(C)C1 ZINC001300465375 1074341221 /nfs/dbraw/zinc/34/12/21/1074341221.db2.gz MBYONEPQQOPLRG-MRXNPFEDSA-N 0 0 440.570 -0.209 20 30 IBEDRN C#CCN(c1nnc(C(=O)NC(CC)CC)n1CC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 ZINC001300478826 1074341765 /nfs/dbraw/zinc/34/17/65/1074341765.db2.gz CLVYVDQSSAWGOS-HNNXBMFYSA-N 0 0 438.554 -0.089 20 30 IBEDRN C#CCN(c1nnc(C(=O)NC(CC)CC)n1CC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001300478827 1074341720 /nfs/dbraw/zinc/34/17/20/1074341720.db2.gz CLVYVDQSSAWGOS-OAHLLOKOSA-N 0 0 438.554 -0.089 20 30 IBEDRN C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@](C)(O)CCOC)[C@@H]1CCS(=O)(=O)C1 ZINC001300479164 1074341708 /nfs/dbraw/zinc/34/17/08/1074341708.db2.gz JMXONRGNSBADIY-BEFAXECRSA-N 0 0 441.554 -0.170 20 30 IBEDRN C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@](C)(O)CCOC)[C@@H]1CCS(=O)(=O)C1 ZINC001300479211 1074341696 /nfs/dbraw/zinc/34/16/96/1074341696.db2.gz JMXONRGNSBADIY-DNVCBOLYSA-N 0 0 441.554 -0.170 20 30 IBEDRN C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@](C)(O)CCOC)[C@H]1CCS(=O)(=O)C1 ZINC001300479213 1074341814 /nfs/dbraw/zinc/34/18/14/1074341814.db2.gz JMXONRGNSBADIY-HNAYVOBHSA-N 0 0 441.554 -0.170 20 30 IBEDRN C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@](C)(O)CCOC)[C@H]1CCS(=O)(=O)C1 ZINC001300479215 1074341750 /nfs/dbraw/zinc/34/17/50/1074341750.db2.gz JMXONRGNSBADIY-KXBFYZLASA-N 0 0 441.554 -0.170 20 30 IBEDRN C#CCN(c1nnc(C(=O)NC(C)C)n1CCS(=O)(=O)CC)[C@H]1CCS(=O)(=O)C1 ZINC001300479435 1074341868 /nfs/dbraw/zinc/34/18/68/1074341868.db2.gz OPRSGIRZSJYKRR-AWEZNQCLSA-N 0 0 445.567 -0.522 20 30 IBEDRN C#CCN(c1nnc(C(=O)NC(C)C)n1CCS(=O)(=O)CC)[C@@H]1CCS(=O)(=O)C1 ZINC001300479436 1074341780 /nfs/dbraw/zinc/34/17/80/1074341780.db2.gz OPRSGIRZSJYKRR-CQSZACIVSA-N 0 0 445.567 -0.522 20 30 IBEDRN C#CCN(c1nnc(C(=O)NC(CC)CC)n1CCC(=O)NC)[C@H]1CCS(=O)(=O)C1 ZINC001300479602 1074341803 /nfs/dbraw/zinc/34/18/03/1074341803.db2.gz QDVGADCZPMICPI-HNNXBMFYSA-N 0 0 438.554 -0.041 20 30 IBEDRN C#CCN(c1nnc(C(=O)NC(CC)CC)n1CCC(=O)NC)[C@@H]1CCS(=O)(=O)C1 ZINC001300479603 1074341684 /nfs/dbraw/zinc/34/16/84/1074341684.db2.gz QDVGADCZPMICPI-OAHLLOKOSA-N 0 0 438.554 -0.041 20 30 IBEDRN C#CCN(c1nnc(C(=O)NC(C)C)n1CCCC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 ZINC001300479606 1074341739 /nfs/dbraw/zinc/34/17/39/1074341739.db2.gz QGZIUKDLLIHZRI-HNNXBMFYSA-N 0 0 438.554 -0.089 20 30 IBEDRN C#CCN(c1nnc(C(=O)NC(C)C)n1CCCC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001300479607 1074341843 /nfs/dbraw/zinc/34/18/43/1074341843.db2.gz QGZIUKDLLIHZRI-OAHLLOKOSA-N 0 0 438.554 -0.089 20 30 IBEDRN C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@]1(C)CN(C)C1=O)[C@@H]1CCS(=O)(=O)C1 ZINC001300479661 1074341905 /nfs/dbraw/zinc/34/19/05/1074341905.db2.gz REXBCISMOXFPML-AUUYWEPGSA-N 0 0 436.538 -0.479 20 30 IBEDRN C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@]1(C)CN(C)C1=O)[C@H]1CCS(=O)(=O)C1 ZINC001300479662 1074341730 /nfs/dbraw/zinc/34/17/30/1074341730.db2.gz REXBCISMOXFPML-IFXJQAMLSA-N 0 0 436.538 -0.479 20 30 IBEDRN C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@]1(C)CN(C)C1=O)[C@@H]1CCS(=O)(=O)C1 ZINC001300479664 1074341858 /nfs/dbraw/zinc/34/18/58/1074341858.db2.gz REXBCISMOXFPML-KUHUBIRLSA-N 0 0 436.538 -0.479 20 30 IBEDRN C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@]1(C)CN(C)C1=O)[C@H]1CCS(=O)(=O)C1 ZINC001300479666 1074341759 /nfs/dbraw/zinc/34/17/59/1074341759.db2.gz REXBCISMOXFPML-LIRRHRJNSA-N 0 0 436.538 -0.479 20 30 IBEDRN C#CCN(c1nnc(C(=O)NC(C)C)n1CCCS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 ZINC001300479843 1074341792 /nfs/dbraw/zinc/34/17/92/1074341792.db2.gz SSIHVZJHYAOGPK-AWEZNQCLSA-N 0 0 445.567 -0.522 20 30 IBEDRN C#CCN(c1nnc(C(=O)NC(C)C)n1CCCS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 ZINC001300479844 1074341829 /nfs/dbraw/zinc/34/18/29/1074341829.db2.gz SSIHVZJHYAOGPK-CQSZACIVSA-N 0 0 445.567 -0.522 20 30 IBEDRN C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)OC)[C@@H]1CCS(=O)(=O)C1 ZINC001300482346 1074342289 /nfs/dbraw/zinc/34/22/89/1074342289.db2.gz DZWZIICTNIDNCG-HZSPNIEDSA-N 0 0 433.556 -0.450 20 30 IBEDRN C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)OC)[C@H]1CCS(=O)(=O)C1 ZINC001300482354 1074342327 /nfs/dbraw/zinc/34/23/27/1074342327.db2.gz DZWZIICTNIDNCG-IHRRRGAJSA-N 0 0 433.556 -0.450 20 30 IBEDRN C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)OC)[C@@H]1CCS(=O)(=O)C1 ZINC001300482355 1074342320 /nfs/dbraw/zinc/34/23/20/1074342320.db2.gz DZWZIICTNIDNCG-MELADBBJSA-N 0 0 433.556 -0.450 20 30 IBEDRN C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)OC)[C@H]1CCS(=O)(=O)C1 ZINC001300482357 1074342243 /nfs/dbraw/zinc/34/22/43/1074342243.db2.gz DZWZIICTNIDNCG-RDBSUJKOSA-N 0 0 433.556 -0.450 20 30 IBEDRN C#CCN(c1nnc(C)n1CCS(=O)(=O)N1CCSCC1)[C@H]1CCS(=O)(=O)C1 ZINC001300484040 1074342252 /nfs/dbraw/zinc/34/22/52/1074342252.db2.gz QPIWCQOVZZXGSK-HNNXBMFYSA-N 0 0 447.608 -0.408 20 30 IBEDRN C#CCN(c1nnc(C)n1CCS(=O)(=O)N1CCSCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001300484041 1074342094 /nfs/dbraw/zinc/34/20/94/1074342094.db2.gz QPIWCQOVZZXGSK-OAHLLOKOSA-N 0 0 447.608 -0.408 20 30 IBEDRN C#CCN(c1nnc(-c2cccn2C)n1CCNS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 ZINC001300487126 1074342172 /nfs/dbraw/zinc/34/21/72/1074342172.db2.gz GRVNRYLBYNJZLL-AWEZNQCLSA-N 0 0 440.551 -0.541 20 30 IBEDRN C#CCN(c1nnc(-c2cccn2C)n1CCNS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 ZINC001300487127 1074342260 /nfs/dbraw/zinc/34/22/60/1074342260.db2.gz GRVNRYLBYNJZLL-CQSZACIVSA-N 0 0 440.551 -0.541 20 30 IBEDRN C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@]1(C)CN(C)C1=O)[C@@H]1CCS(=O)(=O)C1 ZINC001300487894 1074342135 /nfs/dbraw/zinc/34/21/35/1074342135.db2.gz NCGAWAOYSJZSJL-BEFAXECRSA-N 0 0 431.522 -0.216 20 30 IBEDRN C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@]1(C)CN(C)C1=O)[C@@H]1CCS(=O)(=O)C1 ZINC001300487895 1074342335 /nfs/dbraw/zinc/34/23/35/1074342335.db2.gz NCGAWAOYSJZSJL-DNVCBOLYSA-N 0 0 431.522 -0.216 20 30 IBEDRN C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@]1(C)CN(C)C1=O)[C@H]1CCS(=O)(=O)C1 ZINC001300487896 1074342271 /nfs/dbraw/zinc/34/22/71/1074342271.db2.gz NCGAWAOYSJZSJL-HNAYVOBHSA-N 0 0 431.522 -0.216 20 30 IBEDRN C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@]1(C)CN(C)C1=O)[C@H]1CCS(=O)(=O)C1 ZINC001300487897 1074342282 /nfs/dbraw/zinc/34/22/82/1074342282.db2.gz NCGAWAOYSJZSJL-KXBFYZLASA-N 0 0 431.522 -0.216 20 30 IBEDRN C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCCC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001300490714 1074342109 /nfs/dbraw/zinc/34/21/09/1074342109.db2.gz CEJPOJFDYBZMMB-CABCVRRESA-N 0 0 436.538 -0.276 20 30 IBEDRN C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCCC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 ZINC001300490715 1074342354 /nfs/dbraw/zinc/34/23/54/1074342354.db2.gz CEJPOJFDYBZMMB-GJZGRUSLSA-N 0 0 436.538 -0.276 20 30 IBEDRN C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCCC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001300490716 1074342546 /nfs/dbraw/zinc/34/25/46/1074342546.db2.gz CEJPOJFDYBZMMB-HUUCEWRRSA-N 0 0 436.538 -0.276 20 30 IBEDRN C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCCC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 ZINC001300490717 1074342534 /nfs/dbraw/zinc/34/25/34/1074342534.db2.gz CEJPOJFDYBZMMB-LSDHHAIUSA-N 0 0 436.538 -0.276 20 30 IBEDRN C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCc1n[nH]c(C)n1)[C@H]1CCS(=O)(=O)C1 ZINC001300491294 1074342593 /nfs/dbraw/zinc/34/25/93/1074342593.db2.gz GMBJOEFPSPUYQA-KBPBESRZSA-N 0 0 432.510 -0.475 20 30 IBEDRN C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCc1n[nH]c(C)n1)[C@@H]1CCS(=O)(=O)C1 ZINC001300491295 1074342673 /nfs/dbraw/zinc/34/26/73/1074342673.db2.gz GMBJOEFPSPUYQA-KGLIPLIRSA-N 0 0 432.510 -0.475 20 30 IBEDRN C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCc1n[nH]c(C)n1)[C@H]1CCS(=O)(=O)C1 ZINC001300491296 1074342634 /nfs/dbraw/zinc/34/26/34/1074342634.db2.gz GMBJOEFPSPUYQA-UONOGXRCSA-N 0 0 432.510 -0.475 20 30 IBEDRN C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCc1n[nH]c(C)n1)[C@@H]1CCS(=O)(=O)C1 ZINC001300491297 1074342701 /nfs/dbraw/zinc/34/27/01/1074342701.db2.gz GMBJOEFPSPUYQA-ZIAGYGMSSA-N 0 0 432.510 -0.475 20 30 IBEDRN C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC(=O)NCC1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC001300492247 1074342763 /nfs/dbraw/zinc/34/27/63/1074342763.db2.gz MDDWGUXPYRKXGQ-CABCVRRESA-N 0 0 434.522 -0.618 20 30 IBEDRN C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC(=O)NCC1CC1)[C@H]1CCS(=O)(=O)C1 ZINC001300492254 1074342572 /nfs/dbraw/zinc/34/25/72/1074342572.db2.gz MDDWGUXPYRKXGQ-GJZGRUSLSA-N 0 0 434.522 -0.618 20 30 IBEDRN C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CC(=O)NCC1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC001300492256 1074342772 /nfs/dbraw/zinc/34/27/72/1074342772.db2.gz MDDWGUXPYRKXGQ-HUUCEWRRSA-N 0 0 434.522 -0.618 20 30 IBEDRN C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CC(=O)NCC1CC1)[C@H]1CCS(=O)(=O)C1 ZINC001300492257 1074342584 /nfs/dbraw/zinc/34/25/84/1074342584.db2.gz MDDWGUXPYRKXGQ-LSDHHAIUSA-N 0 0 434.522 -0.618 20 30 IBEDRN C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCOCCCO)[C@@H]1CCS(=O)(=O)C1 ZINC001300493500 1074342617 /nfs/dbraw/zinc/34/26/17/1074342617.db2.gz VSNJZRCRIPHUGK-CABCVRRESA-N 0 0 425.511 -0.745 20 30 IBEDRN C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCOCCCO)[C@H]1CCS(=O)(=O)C1 ZINC001300493501 1074342558 /nfs/dbraw/zinc/34/25/58/1074342558.db2.gz VSNJZRCRIPHUGK-GJZGRUSLSA-N 0 0 425.511 -0.745 20 30 IBEDRN C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCOCCCO)[C@@H]1CCS(=O)(=O)C1 ZINC001300493502 1074342743 /nfs/dbraw/zinc/34/27/43/1074342743.db2.gz VSNJZRCRIPHUGK-HUUCEWRRSA-N 0 0 425.511 -0.745 20 30 IBEDRN C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCOCCCO)[C@H]1CCS(=O)(=O)C1 ZINC001300493503 1074342733 /nfs/dbraw/zinc/34/27/33/1074342733.db2.gz VSNJZRCRIPHUGK-LSDHHAIUSA-N 0 0 425.511 -0.745 20 30 IBEDRN C#CCN(c1nnc(-c2cnccn2)n1CC(=O)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 ZINC001300493954 1074342658 /nfs/dbraw/zinc/34/26/58/1074342658.db2.gz XOLCAOGMPLRJBW-HNNXBMFYSA-N 0 0 445.505 -0.779 20 30 IBEDRN C#CCN(c1nnc(-c2cnccn2)n1CC(=O)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001300493956 1074342753 /nfs/dbraw/zinc/34/27/53/1074342753.db2.gz XOLCAOGMPLRJBW-OAHLLOKOSA-N 0 0 445.505 -0.779 20 30 IBEDRN C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1cc(C)nn1C)[C@@H]1CCS(=O)(=O)C1 ZINC001300494128 1074342727 /nfs/dbraw/zinc/34/27/27/1074342727.db2.gz YZNSHHQEWWLUAU-GDBMZVCRSA-N 0 0 431.522 -0.054 20 30 IBEDRN C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1cc(C)nn1C)[C@H]1CCS(=O)(=O)C1 ZINC001300494131 1074342664 /nfs/dbraw/zinc/34/26/64/1074342664.db2.gz YZNSHHQEWWLUAU-GOEBONIOSA-N 0 0 431.522 -0.054 20 30 IBEDRN C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1cc(C)nn1C)[C@H]1CCS(=O)(=O)C1 ZINC001300494133 1074343195 /nfs/dbraw/zinc/34/31/95/1074343195.db2.gz YZNSHHQEWWLUAU-HOCLYGCPSA-N 0 0 431.522 -0.054 20 30 IBEDRN C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1cc(C)nn1C)[C@@H]1CCS(=O)(=O)C1 ZINC001300494135 1074342957 /nfs/dbraw/zinc/34/29/57/1074342957.db2.gz YZNSHHQEWWLUAU-ZBFHGGJFSA-N 0 0 431.522 -0.054 20 30 IBEDRN C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001300495959 1074342977 /nfs/dbraw/zinc/34/29/77/1074342977.db2.gz LTGRWGUULUCWFT-ARFHVFGLSA-N 0 0 443.595 -0.243 20 30 IBEDRN C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001300495960 1074343186 /nfs/dbraw/zinc/34/31/86/1074343186.db2.gz LTGRWGUULUCWFT-BZUAXINKSA-N 0 0 443.595 -0.243 20 30 IBEDRN C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 ZINC001300495961 1074343044 /nfs/dbraw/zinc/34/30/44/1074343044.db2.gz LTGRWGUULUCWFT-OAGGEKHMSA-N 0 0 443.595 -0.243 20 30 IBEDRN C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 ZINC001300495962 1074343035 /nfs/dbraw/zinc/34/30/35/1074343035.db2.gz LTGRWGUULUCWFT-XHSDSOJGSA-N 0 0 443.595 -0.243 20 30 IBEDRN C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(O)CC1)[C@H]1CCS(=O)(=O)C1 ZINC001300496651 1074343165 /nfs/dbraw/zinc/34/31/65/1074343165.db2.gz STMAWKJSFJIVGQ-KBPBESRZSA-N 0 0 428.536 -0.668 20 30 IBEDRN C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(O)CC1)[C@H]1CCS(=O)(=O)C1 ZINC001300496652 1074342989 /nfs/dbraw/zinc/34/29/89/1074342989.db2.gz STMAWKJSFJIVGQ-KGLIPLIRSA-N 0 0 428.536 -0.668 20 30 IBEDRN C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(O)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC001300496653 1074343205 /nfs/dbraw/zinc/34/32/05/1074343205.db2.gz STMAWKJSFJIVGQ-UONOGXRCSA-N 0 0 428.536 -0.668 20 30 IBEDRN C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(O)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC001300496654 1074342966 /nfs/dbraw/zinc/34/29/66/1074342966.db2.gz STMAWKJSFJIVGQ-ZIAGYGMSSA-N 0 0 428.536 -0.668 20 30 IBEDRN C#CCN(c1nnc(Cc2cccnc2)n1C[C@@]1(O)CCN(C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001300498621 1074343217 /nfs/dbraw/zinc/34/32/17/1074343217.db2.gz MDMNIBOYVJQQMH-GHTZIAJQSA-N 0 0 444.561 -0.043 20 30 IBEDRN C#CCN(c1nnc(Cc2cccnc2)n1C[C@]1(O)CCN(C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001300498624 1074343114 /nfs/dbraw/zinc/34/31/14/1074343114.db2.gz MDMNIBOYVJQQMH-NQIIRXRSSA-N 0 0 444.561 -0.043 20 30 IBEDRN C#CCN(c1nnc(Cc2cccnc2)n1C[C@]1(O)CCN(C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001300498625 1074343050 /nfs/dbraw/zinc/34/30/50/1074343050.db2.gz MDMNIBOYVJQQMH-RXVVDRJESA-N 0 0 444.561 -0.043 20 30 IBEDRN C#CCN(c1nnc(Cc2cccnc2)n1C[C@@]1(O)CCN(C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001300498630 1074343001 /nfs/dbraw/zinc/34/30/01/1074343001.db2.gz MDMNIBOYVJQQMH-WIYYLYMNSA-N 0 0 444.561 -0.043 20 30 IBEDRN C#CCN(c1nnc(CC(C)C)n1CCS(=O)(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 ZINC001300499844 1074343534 /nfs/dbraw/zinc/34/35/34/1074343534.db2.gz YIZBEYISCMOIRW-HNNXBMFYSA-N 0 0 431.584 -0.005 20 30 IBEDRN C#CCN(c1nnc(CC(C)C)n1CCS(=O)(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001300499845 1074343578 /nfs/dbraw/zinc/34/35/78/1074343578.db2.gz YIZBEYISCMOIRW-OAHLLOKOSA-N 0 0 431.584 -0.005 20 30 IBEDRN C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001300506185 1074343457 /nfs/dbraw/zinc/34/34/57/1074343457.db2.gz OMPBLZRZLPZJIO-UXLLHSPISA-N 0 0 439.538 -0.283 20 30 IBEDRN C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 ZINC001300506186 1074343549 /nfs/dbraw/zinc/34/35/49/1074343549.db2.gz OMPBLZRZLPZJIO-ZOBUZTSGSA-N 0 0 439.538 -0.283 20 30 IBEDRN C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1Cc1ccc(C(=O)NCC(N)=O)cc1 ZINC001300506617 1074343489 /nfs/dbraw/zinc/34/34/89/1074343489.db2.gz WOVIKRZZYREPPS-UHFFFAOYSA-N 0 0 435.488 -0.248 20 30 IBEDRN C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCCS1(=O)=O ZINC001300509879 1074343558 /nfs/dbraw/zinc/34/35/58/1074343558.db2.gz YFWAULHQRYBGTE-CABCVRRESA-N 0 0 427.552 -0.072 20 30 IBEDRN C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCCS1(=O)=O ZINC001300509880 1074343509 /nfs/dbraw/zinc/34/35/09/1074343509.db2.gz YFWAULHQRYBGTE-GJZGRUSLSA-N 0 0 427.552 -0.072 20 30 IBEDRN C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCCS1(=O)=O ZINC001300509881 1074343434 /nfs/dbraw/zinc/34/34/34/1074343434.db2.gz YFWAULHQRYBGTE-HUUCEWRRSA-N 0 0 427.552 -0.072 20 30 IBEDRN C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCCS1(=O)=O ZINC001300509882 1074343587 /nfs/dbraw/zinc/34/35/87/1074343587.db2.gz YFWAULHQRYBGTE-LSDHHAIUSA-N 0 0 427.552 -0.072 20 30 IBEDRN C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(CS(C)(=O)=O)CC1 ZINC001300509936 1074343469 /nfs/dbraw/zinc/34/34/69/1074343469.db2.gz ZKZVGLMOHZLBMH-AWEZNQCLSA-N 0 0 427.552 -0.214 20 30 IBEDRN C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(CS(C)(=O)=O)CC1 ZINC001300509937 1074343499 /nfs/dbraw/zinc/34/34/99/1074343499.db2.gz ZKZVGLMOHZLBMH-CQSZACIVSA-N 0 0 427.552 -0.214 20 30 IBEDRN C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001300509950 1074343478 /nfs/dbraw/zinc/34/34/78/1074343478.db2.gz ZWFGNXOCHLDLKM-CABCVRRESA-N 0 0 442.567 -0.757 20 30 IBEDRN C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001300509951 1074343407 /nfs/dbraw/zinc/34/34/07/1074343407.db2.gz ZWFGNXOCHLDLKM-GJZGRUSLSA-N 0 0 442.567 -0.757 20 30 IBEDRN C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001300509952 1074343567 /nfs/dbraw/zinc/34/35/67/1074343567.db2.gz ZWFGNXOCHLDLKM-HUUCEWRRSA-N 0 0 442.567 -0.757 20 30 IBEDRN C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001300509953 1074343600 /nfs/dbraw/zinc/34/36/00/1074343600.db2.gz ZWFGNXOCHLDLKM-LSDHHAIUSA-N 0 0 442.567 -0.757 20 30 IBEDRN C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1nnn(C)n1 ZINC001300511741 1074343422 /nfs/dbraw/zinc/34/34/22/1074343422.db2.gz OSLVMBVIVNKNKX-UHFFFAOYSA-N 0 0 439.505 -0.160 20 30 IBEDRN C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN(C)S(=O)(=O)CC ZINC001300537718 1074343868 /nfs/dbraw/zinc/34/38/68/1074343868.db2.gz JIVCIJIOCAUCBW-INIZCTEOSA-N 0 0 441.579 -0.075 20 30 IBEDRN C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN(C)S(=O)(=O)CC ZINC001300537719 1074344032 /nfs/dbraw/zinc/34/40/32/1074344032.db2.gz JIVCIJIOCAUCBW-MRXNPFEDSA-N 0 0 441.579 -0.075 20 30 IBEDRN C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOCCS(C)(=O)=O ZINC001300538070 1074343906 /nfs/dbraw/zinc/34/39/06/1074343906.db2.gz NCIFXYNQRMWZAH-HNNXBMFYSA-N 0 0 428.536 -0.686 20 30 IBEDRN C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOCCS(C)(=O)=O ZINC001300538071 1074343940 /nfs/dbraw/zinc/34/39/40/1074343940.db2.gz NCIFXYNQRMWZAH-OAHLLOKOSA-N 0 0 428.536 -0.686 20 30 IBEDRN C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@]1(O)CCS(=O)(=O)C1 ZINC001300555439 1074343996 /nfs/dbraw/zinc/34/39/96/1074343996.db2.gz YMNIVLTUJMHSHW-FQEVSTJZSA-N 0 0 442.501 -0.062 20 30 IBEDRN C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@]1(O)CCS(=O)(=O)C1 ZINC001300555440 1074343917 /nfs/dbraw/zinc/34/39/17/1074343917.db2.gz YMNIVLTUJMHSHW-HXUWFJFHSA-N 0 0 442.501 -0.062 20 30 IBEDRN C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCS(=O)(=O)C1 ZINC001300556602 1074343891 /nfs/dbraw/zinc/34/38/91/1074343891.db2.gz JXUKOFQSJLHGMS-CABCVRRESA-N 0 0 427.552 -0.214 20 30 IBEDRN C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCS(=O)(=O)C1 ZINC001300556603 1074343930 /nfs/dbraw/zinc/34/39/30/1074343930.db2.gz JXUKOFQSJLHGMS-GJZGRUSLSA-N 0 0 427.552 -0.214 20 30 IBEDRN C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCS(=O)(=O)C1 ZINC001300556604 1074344024 /nfs/dbraw/zinc/34/40/24/1074344024.db2.gz JXUKOFQSJLHGMS-HUUCEWRRSA-N 0 0 427.552 -0.214 20 30 IBEDRN C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCS(=O)(=O)C1 ZINC001300556605 1074343961 /nfs/dbraw/zinc/34/39/61/1074343961.db2.gz JXUKOFQSJLHGMS-LSDHHAIUSA-N 0 0 427.552 -0.214 20 30 IBEDRN C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCC(=O)N1CCOCC1 ZINC001300557701 1074344005 /nfs/dbraw/zinc/34/40/05/1074344005.db2.gz VMQQDFRXYZRGDN-INIZCTEOSA-N 0 0 436.538 -0.400 20 30 IBEDRN C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCC(=O)N1CCOCC1 ZINC001300557702 1074343840 /nfs/dbraw/zinc/34/38/40/1074343840.db2.gz VMQQDFRXYZRGDN-MRXNPFEDSA-N 0 0 436.538 -0.400 20 30 IBEDRN C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCS(=O)(=O)NC ZINC001300569428 1074344228 /nfs/dbraw/zinc/34/42/28/1074344228.db2.gz KNYFWPRRZSYPJE-UHFFFAOYSA-N 0 0 439.505 -0.067 20 30 IBEDRN C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)NCCC ZINC001300578562 1074344831 /nfs/dbraw/zinc/34/48/31/1074344831.db2.gz MLGDEXLQZBARQQ-INIZCTEOSA-N 0 0 436.538 -0.400 20 30 IBEDRN C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)NCCC ZINC001300578563 1074344584 /nfs/dbraw/zinc/34/45/84/1074344584.db2.gz MLGDEXLQZBARQQ-MRXNPFEDSA-N 0 0 436.538 -0.400 20 30 IBEDRN C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(C(N)=O)CCOCC1 ZINC001300578749 1074344632 /nfs/dbraw/zinc/34/46/32/1074344632.db2.gz OJLZAVMBDHZCNR-INIZCTEOSA-N 0 0 433.534 -0.075 20 30 IBEDRN C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(C(N)=O)CCOCC1 ZINC001300578750 1074344645 /nfs/dbraw/zinc/34/46/45/1074344645.db2.gz OJLZAVMBDHZCNR-MRXNPFEDSA-N 0 0 433.534 -0.075 20 30 IBEDRN C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[S@](=O)CC ZINC001300579388 1074344761 /nfs/dbraw/zinc/34/47/61/1074344761.db2.gz URWNAZFQBFUIDE-DEXQXJORSA-N 0 0 441.579 -0.158 20 30 IBEDRN C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[S@@](=O)CC ZINC001300579390 1074344797 /nfs/dbraw/zinc/34/47/97/1074344797.db2.gz URWNAZFQBFUIDE-HJWYETAXSA-N 0 0 441.579 -0.158 20 30 IBEDRN C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[S@@](=O)CC ZINC001300579391 1074344602 /nfs/dbraw/zinc/34/46/02/1074344602.db2.gz URWNAZFQBFUIDE-OLRZCDJHSA-N 0 0 441.579 -0.158 20 30 IBEDRN C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[S@](=O)CC ZINC001300579392 1074344770 /nfs/dbraw/zinc/34/47/70/1074344770.db2.gz URWNAZFQBFUIDE-WVDZOPJMSA-N 0 0 441.579 -0.158 20 30 IBEDRN C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)N(C)CC ZINC001300579613 1074344676 /nfs/dbraw/zinc/34/46/76/1074344676.db2.gz XRZQABMMKQQONN-INIZCTEOSA-N 0 0 436.538 -0.448 20 30 IBEDRN C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)N(C)CC ZINC001300579614 1074344788 /nfs/dbraw/zinc/34/47/88/1074344788.db2.gz XRZQABMMKQQONN-MRXNPFEDSA-N 0 0 436.538 -0.448 20 30 IBEDRN C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(S(C)(=O)=O)CC1 ZINC001300630317 1074345588 /nfs/dbraw/zinc/34/55/88/1074345588.db2.gz ASGJIYGNNDHRTC-AWEZNQCLSA-N 0 0 445.567 -0.352 20 30 IBEDRN C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(S(C)(=O)=O)CC1 ZINC001300630318 1074345527 /nfs/dbraw/zinc/34/55/27/1074345527.db2.gz ASGJIYGNNDHRTC-CQSZACIVSA-N 0 0 445.567 -0.352 20 30 IBEDRN C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCC(=O)N(C)C ZINC001300630822 1074345448 /nfs/dbraw/zinc/34/54/48/1074345448.db2.gz GTTWIQXCFSRTDI-HNNXBMFYSA-N 0 0 426.543 -0.061 20 30 IBEDRN C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCC(=O)N(C)C ZINC001300630823 1074345623 /nfs/dbraw/zinc/34/56/23/1074345623.db2.gz GTTWIQXCFSRTDI-OAHLLOKOSA-N 0 0 426.543 -0.061 20 30 IBEDRN C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(O)CCS(=O)(=O)CC1 ZINC001300631560 1074345490 /nfs/dbraw/zinc/34/54/90/1074345490.db2.gz SOQRBBUSVHIQIU-AWEZNQCLSA-N 0 0 430.552 -0.421 20 30 IBEDRN C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(O)CCS(=O)(=O)CC1 ZINC001300631561 1074345705 /nfs/dbraw/zinc/34/57/05/1074345705.db2.gz SOQRBBUSVHIQIU-CQSZACIVSA-N 0 0 430.552 -0.421 20 30 IBEDRN C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1CCS(=O)(=O)CC1 ZINC001300653082 1074346003 /nfs/dbraw/zinc/34/60/03/1074346003.db2.gz INOQGCFVLKBGFY-AWEZNQCLSA-N 0 0 447.583 -0.201 20 30 IBEDRN C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1CCS(=O)(=O)CC1 ZINC001300653085 1074345926 /nfs/dbraw/zinc/34/59/26/1074345926.db2.gz INOQGCFVLKBGFY-CQSZACIVSA-N 0 0 447.583 -0.201 20 30 IBEDRN C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCS(=O)(=O)C1 ZINC001300653352 1074346015 /nfs/dbraw/zinc/34/60/15/1074346015.db2.gz KMLJQIDLMDTLJR-CABCVRRESA-N 0 0 447.583 -0.201 20 30 IBEDRN C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCS(=O)(=O)C1 ZINC001300653353 1074345965 /nfs/dbraw/zinc/34/59/65/1074345965.db2.gz KMLJQIDLMDTLJR-GJZGRUSLSA-N 0 0 447.583 -0.201 20 30 IBEDRN C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCS(=O)(=O)C1 ZINC001300653354 1074345917 /nfs/dbraw/zinc/34/59/17/1074345917.db2.gz KMLJQIDLMDTLJR-HUUCEWRRSA-N 0 0 447.583 -0.201 20 30 IBEDRN C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCS(=O)(=O)C1 ZINC001300653355 1074345895 /nfs/dbraw/zinc/34/58/95/1074345895.db2.gz KMLJQIDLMDTLJR-LSDHHAIUSA-N 0 0 447.583 -0.201 20 30 IBEDRN C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnn(C)c1 ZINC001300671067 1074345904 /nfs/dbraw/zinc/34/59/04/1074345904.db2.gz BDDQLKKDUFDISH-INIZCTEOSA-N 0 0 437.526 -0.521 20 30 IBEDRN C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnn(C)c1 ZINC001300671068 1074345997 /nfs/dbraw/zinc/34/59/97/1074345997.db2.gz BDDQLKKDUFDISH-MRXNPFEDSA-N 0 0 437.526 -0.521 20 30 IBEDRN C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCO1 ZINC001300671085 1074346287 /nfs/dbraw/zinc/34/62/87/1074346287.db2.gz BQLVCSGONIIBLL-CVEARBPZSA-N 0 0 427.527 -0.124 20 30 IBEDRN C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCO1 ZINC001300671086 1074346322 /nfs/dbraw/zinc/34/63/22/1074346322.db2.gz BQLVCSGONIIBLL-HZPDHXFCSA-N 0 0 427.527 -0.124 20 30 IBEDRN C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)C1CC1 ZINC001300671614 1074346458 /nfs/dbraw/zinc/34/64/58/1074346458.db2.gz LTGBTAJKWBCBFL-APWZRJJASA-N 0 0 441.554 -0.142 20 30 IBEDRN C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)C1CC1 ZINC001300671617 1074346386 /nfs/dbraw/zinc/34/63/86/1074346386.db2.gz LTGBTAJKWBCBFL-LPHOPBHVSA-N 0 0 441.554 -0.142 20 30 IBEDRN C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)C1CC1 ZINC001300671618 1074346451 /nfs/dbraw/zinc/34/64/51/1074346451.db2.gz LTGBTAJKWBCBFL-QFBILLFUSA-N 0 0 441.554 -0.142 20 30 IBEDRN C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)C1CC1 ZINC001300671620 1074346396 /nfs/dbraw/zinc/34/63/96/1074346396.db2.gz LTGBTAJKWBCBFL-VQIMIIECSA-N 0 0 441.554 -0.142 20 30 IBEDRN C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccn(C)n1 ZINC001300671844 1074346300 /nfs/dbraw/zinc/34/63/00/1074346300.db2.gz RAJVRKZCKTXNRR-INIZCTEOSA-N 0 0 437.526 -0.521 20 30 IBEDRN C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccn(C)n1 ZINC001300671845 1074346406 /nfs/dbraw/zinc/34/64/06/1074346406.db2.gz RAJVRKZCKTXNRR-MRXNPFEDSA-N 0 0 437.526 -0.521 20 30 IBEDRN C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C)COC1 ZINC001300672353 1074346348 /nfs/dbraw/zinc/34/63/48/1074346348.db2.gz ZKZMASMIEAZGOE-HNNXBMFYSA-N 0 0 427.527 -0.267 20 30 IBEDRN C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C)COC1 ZINC001300672354 1074346446 /nfs/dbraw/zinc/34/64/46/1074346446.db2.gz ZKZMASMIEAZGOE-OAHLLOKOSA-N 0 0 427.527 -0.267 20 30 IBEDRN C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1CCN1CCN(C(C)=O)CC1 ZINC001300675344 1074346425 /nfs/dbraw/zinc/34/64/25/1074346425.db2.gz PPQUDXGFMWICPK-UHFFFAOYSA-N 0 0 431.541 -0.349 20 30 IBEDRN C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001300675644 1074346333 /nfs/dbraw/zinc/34/63/33/1074346333.db2.gz UWKOAHPZHWNNHR-INIZCTEOSA-N 0 0 438.554 -0.232 20 30 IBEDRN C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001300675657 1074346413 /nfs/dbraw/zinc/34/64/13/1074346413.db2.gz UWKOAHPZHWNNHR-MRXNPFEDSA-N 0 0 438.554 -0.232 20 30 IBEDRN C#CCn1ccc(CN(CCOC)c2nnc(CC)n2C[C@@]2(O)CCS(=O)(=O)C2)n1 ZINC001300681428 1074346357 /nfs/dbraw/zinc/34/63/57/1074346357.db2.gz PAIULIZWIFDQKR-IBGZPJMESA-N 0 0 436.538 -0.127 20 30 IBEDRN C#CCn1ccc(CN(CCOC)c2nnc(CC)n2C[C@]2(O)CCS(=O)(=O)C2)n1 ZINC001300681429 1074346724 /nfs/dbraw/zinc/34/67/24/1074346724.db2.gz PAIULIZWIFDQKR-LJQANCHMSA-N 0 0 436.538 -0.127 20 30 IBEDRN C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCCNS(=O)(=O)CC)CC1 ZINC001300681490 1074346904 /nfs/dbraw/zinc/34/69/04/1074346904.db2.gz RJNPGUWUVCWGMO-UHFFFAOYSA-N 0 0 425.559 -0.499 20 30 IBEDRN C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCCn2cc(CO)nn2)CC1 ZINC001300681507 1074347053 /nfs/dbraw/zinc/34/70/53/1074347053.db2.gz RSFRVLGGRCBQPB-UHFFFAOYSA-N 0 0 427.513 -0.557 20 30 IBEDRN C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 ZINC001300682014 1074346974 /nfs/dbraw/zinc/34/69/74/1074346974.db2.gz GJMQLCOJGDAARA-MRXNPFEDSA-N 0 0 437.570 -0.405 20 30 IBEDRN C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C(N)=O)nc2)CC1 ZINC001300682618 1074346939 /nfs/dbraw/zinc/34/69/39/1074346939.db2.gz HYDJNRMWIZBRIM-AWEZNQCLSA-N 0 0 446.537 -0.814 20 30 IBEDRN C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C(N)=O)nc2)CC1 ZINC001300682626 1074346770 /nfs/dbraw/zinc/34/67/70/1074346770.db2.gz HYDJNRMWIZBRIM-CQSZACIVSA-N 0 0 446.537 -0.814 20 30 IBEDRN C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCNC(=O)C2N=CC=CC2=O)CC1 ZINC001300683099 1074346953 /nfs/dbraw/zinc/34/69/53/1074346953.db2.gz WOGQDSPDRFVKMH-HTXNQAPBSA-N 0 0 440.508 -0.302 20 30 IBEDRN C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCNC(=O)C2N=CC=CC2=O)CC1 ZINC001300683100 1074347089 /nfs/dbraw/zinc/34/70/89/1074347089.db2.gz WOGQDSPDRFVKMH-ZPHPHTNESA-N 0 0 440.508 -0.302 20 30 IBEDRN C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CC2(O)CCS(=O)(=O)CC2)CC1 ZINC001300700404 1074347008 /nfs/dbraw/zinc/34/70/08/1074347008.db2.gz OLYOWVLNLYRLMA-KRWDZBQOSA-N 0 0 437.566 -0.133 20 30 IBEDRN C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CC2(O)CCS(=O)(=O)CC2)CC1 ZINC001300700405 1074346794 /nfs/dbraw/zinc/34/67/94/1074346794.db2.gz OLYOWVLNLYRLMA-QGZVFWFLSA-N 0 0 437.566 -0.133 20 30 IBEDRN C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CCNS(=O)(=O)Cc2ccon2)CC1 ZINC001300700683 1074346884 /nfs/dbraw/zinc/34/68/84/1074346884.db2.gz UKHIUVDPOSAEQQ-INIZCTEOSA-N 0 0 449.537 -0.355 20 30 IBEDRN C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CCNS(=O)(=O)Cc2ccon2)CC1 ZINC001300700684 1074347072 /nfs/dbraw/zinc/34/70/72/1074347072.db2.gz UKHIUVDPOSAEQQ-MRXNPFEDSA-N 0 0 449.537 -0.355 20 30 IBEDRN C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CC(=O)N(CCOC)C2)CC1 ZINC001300707438 1074347029 /nfs/dbraw/zinc/34/70/29/1074347029.db2.gz ZFIMDIGAMHUKAW-GOSISDBHSA-N 0 0 443.552 -0.349 20 30 IBEDRN C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CC(=O)N(CCOC)C2)CC1 ZINC001300707439 1074346859 /nfs/dbraw/zinc/34/68/59/1074346859.db2.gz ZFIMDIGAMHUKAW-SFHVURJKSA-N 0 0 443.552 -0.349 20 30 IBEDRN C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CC2(CS(C)(=O)=O)CC2)CC1 ZINC001300707442 1074346822 /nfs/dbraw/zinc/34/68/22/1074346822.db2.gz ZIECNCWKVAIHKS-UHFFFAOYSA-N 0 0 434.566 -0.020 20 30 IBEDRN C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCNS(C)(=O)=O)CC1 ZINC001300710566 1074347400 /nfs/dbraw/zinc/34/74/00/1074347400.db2.gz GUDSXGPJVHALHI-HOTGVXAUSA-N 0 0 426.543 -0.694 20 30 IBEDRN C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCCn2cnnn2)CC1 ZINC001300710717 1074347516 /nfs/dbraw/zinc/34/75/16/1074347516.db2.gz JHGGOFOZBIPMDH-UHFFFAOYSA-N 0 0 428.501 -0.541 20 30 IBEDRN C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCOC2)CC1 ZINC001300711795 1074347582 /nfs/dbraw/zinc/34/75/82/1074347582.db2.gz HNVZIPFGRHNBIZ-CABCVRRESA-N 0 0 438.554 -0.109 20 30 IBEDRN C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCOC2)CC1 ZINC001300711796 1074347540 /nfs/dbraw/zinc/34/75/40/1074347540.db2.gz HNVZIPFGRHNBIZ-GJZGRUSLSA-N 0 0 438.554 -0.109 20 30 IBEDRN C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCOC2)CC1 ZINC001300711797 1074347381 /nfs/dbraw/zinc/34/73/81/1074347381.db2.gz HNVZIPFGRHNBIZ-HUUCEWRRSA-N 0 0 438.554 -0.109 20 30 IBEDRN C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCOC2)CC1 ZINC001300711798 1074347345 /nfs/dbraw/zinc/34/73/45/1074347345.db2.gz HNVZIPFGRHNBIZ-LSDHHAIUSA-N 0 0 438.554 -0.109 20 30 IBEDRN C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCS(=O)(=O)N(C)C)CC1 ZINC001300719481 1074347590 /nfs/dbraw/zinc/34/75/90/1074347590.db2.gz CMNDQQFYYUVPNV-UHFFFAOYSA-N 0 0 446.537 -0.408 20 30 IBEDRN C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCNS(C)(=O)=O)CC1 ZINC001300719629 1074347935 /nfs/dbraw/zinc/34/79/35/1074347935.db2.gz JKDQQZXYVWXWFP-UHFFFAOYSA-N 0 0 431.522 -0.145 20 30 IBEDRN C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCNS(C)(=O)=O)CC1 ZINC001300719880 1074347944 /nfs/dbraw/zinc/34/79/44/1074347944.db2.gz UEWRDUZIPCAUAH-UHFFFAOYSA-N 0 0 431.522 -0.145 20 30 IBEDRN C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2(S(C)(=O)=O)CC2)CC1 ZINC001300721840 1074348033 /nfs/dbraw/zinc/34/80/33/1074348033.db2.gz BCRLHUHAPJSRCQ-HNNXBMFYSA-N 0 0 448.549 -0.228 20 30 IBEDRN C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2(S(C)(=O)=O)CC2)CC1 ZINC001300721853 1074348005 /nfs/dbraw/zinc/34/80/05/1074348005.db2.gz BCRLHUHAPJSRCQ-OAHLLOKOSA-N 0 0 448.549 -0.228 20 30 IBEDRN C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(=O)NCC2CC2)CC1 ZINC001300723526 1074347928 /nfs/dbraw/zinc/34/79/28/1074347928.db2.gz VPEZXWIVJTUDLZ-INIZCTEOSA-N 0 0 427.509 -0.279 20 30 IBEDRN C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(=O)NCC2CC2)CC1 ZINC001300723527 1074347902 /nfs/dbraw/zinc/34/79/02/1074347902.db2.gz VPEZXWIVJTUDLZ-MRXNPFEDSA-N 0 0 427.509 -0.279 20 30 IBEDRN C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCNS(C)(=O)=O)CC1 ZINC001300726598 1074347970 /nfs/dbraw/zinc/34/79/70/1074347970.db2.gz QMPKHGPTQRRLHL-INIZCTEOSA-N 0 0 438.554 -0.313 20 30 IBEDRN C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCNS(C)(=O)=O)CC1 ZINC001300726601 1074348021 /nfs/dbraw/zinc/34/80/21/1074348021.db2.gz QMPKHGPTQRRLHL-MRXNPFEDSA-N 0 0 438.554 -0.313 20 30 IBEDRN C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 ZINC001300727324 1074347868 /nfs/dbraw/zinc/34/78/68/1074347868.db2.gz WQDAMBIFSXXDQJ-FQEVSTJZSA-N 0 0 437.566 -0.008 20 30 IBEDRN C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCNS(C)(=O)=O)CC1 ZINC001300727341 1074347919 /nfs/dbraw/zinc/34/79/19/1074347919.db2.gz XNAJFSWXNITWCQ-UHFFFAOYSA-N 0 0 445.549 -0.221 20 30 IBEDRN C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CC(=O)NCC2CC2)CC1 ZINC001300729219 1074347881 /nfs/dbraw/zinc/34/78/81/1074347881.db2.gz RAYQULXYERZTMM-UHFFFAOYSA-N 0 0 441.536 -0.108 20 30 IBEDRN C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(CNC(=O)C2)C1 ZINC001300734490 1074347908 /nfs/dbraw/zinc/34/79/08/1074347908.db2.gz VPNXJVZEIAFEPB-CXAGYDPISA-N 0 0 426.568 -0.029 20 30 IBEDRN C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(CNC(=O)C2)C1 ZINC001300734491 1074348039 /nfs/dbraw/zinc/34/80/39/1074348039.db2.gz VPNXJVZEIAFEPB-DYVFJYSZSA-N 0 0 426.568 -0.029 20 30 IBEDRN C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(CNC(=O)C2)C1 ZINC001300734492 1074348028 /nfs/dbraw/zinc/34/80/28/1074348028.db2.gz VPNXJVZEIAFEPB-GUYCJALGSA-N 0 0 426.568 -0.029 20 30 IBEDRN C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(CNC(=O)C2)C1 ZINC001300734493 1074348328 /nfs/dbraw/zinc/34/83/28/1074348328.db2.gz VPNXJVZEIAFEPB-SUMWQHHRSA-N 0 0 426.568 -0.029 20 30 IBEDRN C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2CCC(=O)N[C@@H]2C1 ZINC001300734531 1074348322 /nfs/dbraw/zinc/34/83/22/1074348322.db2.gz WMCXNFZRDDICBC-BFHYXJOUSA-N 0 0 426.568 -0.031 20 30 IBEDRN C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2NC(=O)CC[C@H]2C1 ZINC001300734532 1074348298 /nfs/dbraw/zinc/34/82/98/1074348298.db2.gz WMCXNFZRDDICBC-IHRRRGAJSA-N 0 0 426.568 -0.031 20 30 IBEDRN C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 ZINC001300734533 1074348366 /nfs/dbraw/zinc/34/83/66/1074348366.db2.gz WMCXNFZRDDICBC-MELADBBJSA-N 0 0 426.568 -0.031 20 30 IBEDRN C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 ZINC001300734534 1074348371 /nfs/dbraw/zinc/34/83/71/1074348371.db2.gz WMCXNFZRDDICBC-MJBXVCDLSA-N 0 0 426.568 -0.031 20 30 IBEDRN C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 ZINC001300734626 1074348361 /nfs/dbraw/zinc/34/83/61/1074348361.db2.gz ZHAUVMKRSICFSX-KBPBESRZSA-N 0 0 441.583 -0.189 20 30 IBEDRN C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 ZINC001300734627 1074348292 /nfs/dbraw/zinc/34/82/92/1074348292.db2.gz ZHAUVMKRSICFSX-KGLIPLIRSA-N 0 0 441.583 -0.189 20 30 IBEDRN C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 ZINC001300734628 1074348356 /nfs/dbraw/zinc/34/83/56/1074348356.db2.gz ZHAUVMKRSICFSX-UONOGXRCSA-N 0 0 441.583 -0.189 20 30 IBEDRN C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 ZINC001300734629 1074348321 /nfs/dbraw/zinc/34/83/21/1074348321.db2.gz ZHAUVMKRSICFSX-ZIAGYGMSSA-N 0 0 441.583 -0.189 20 30 IBEDRN C#CCSCCn1c([C@@H](C)OCCOC)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001300740647 1074348318 /nfs/dbraw/zinc/34/83/18/1074348318.db2.gz ABVGABOJJNVEDS-CABCVRRESA-N 0 0 436.538 -0.485 20 30 IBEDRN C#CCSCCn1c([C@H](C)OCCOC)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001300740648 1074348334 /nfs/dbraw/zinc/34/83/34/1074348334.db2.gz ABVGABOJJNVEDS-GJZGRUSLSA-N 0 0 436.538 -0.485 20 30 IBEDRN C#CCSCCn1c([C@@H](C)OCCOC)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001300740649 1074348281 /nfs/dbraw/zinc/34/82/81/1074348281.db2.gz ABVGABOJJNVEDS-HUUCEWRRSA-N 0 0 436.538 -0.485 20 30 IBEDRN C#CCSCCn1c([C@H](C)OCCOC)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001300740650 1074348324 /nfs/dbraw/zinc/34/83/24/1074348324.db2.gz ABVGABOJJNVEDS-LSDHHAIUSA-N 0 0 436.538 -0.485 20 30 IBEDRN C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1 ZINC001300763118 1074348816 /nfs/dbraw/zinc/34/88/16/1074348816.db2.gz NJUGWLQHCTZGIC-CABCVRRESA-N 0 0 440.551 -0.294 20 30 IBEDRN C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1 ZINC001300763129 1074348766 /nfs/dbraw/zinc/34/87/66/1074348766.db2.gz NJUGWLQHCTZGIC-GJZGRUSLSA-N 0 0 440.551 -0.294 20 30 IBEDRN C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1 ZINC001300763131 1074348673 /nfs/dbraw/zinc/34/86/73/1074348673.db2.gz NJUGWLQHCTZGIC-HUUCEWRRSA-N 0 0 440.551 -0.294 20 30 IBEDRN C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1 ZINC001300763132 1074348831 /nfs/dbraw/zinc/34/88/31/1074348831.db2.gz NJUGWLQHCTZGIC-LSDHHAIUSA-N 0 0 440.551 -0.294 20 30 IBEDRN C#CCSCCn1c(Cc2cccnc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001300766826 1074348795 /nfs/dbraw/zinc/34/87/95/1074348795.db2.gz LLQPCJKPIAAJAT-INIZCTEOSA-N 0 0 425.518 -0.223 20 30 IBEDRN C#CCSCCn1c(Cc2cccnc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001300766827 1074348705 /nfs/dbraw/zinc/34/87/05/1074348705.db2.gz LLQPCJKPIAAJAT-MRXNPFEDSA-N 0 0 425.518 -0.223 20 30 IBEDRN C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCOCCS(C)(=O)=O ZINC001300780518 1074349317 /nfs/dbraw/zinc/34/93/17/1074349317.db2.gz RWLKRZVJYMVICX-RHSMWYFYSA-N 0 0 447.583 -0.058 20 30 IBEDRN C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCOCCS(C)(=O)=O ZINC001300780519 1074349236 /nfs/dbraw/zinc/34/92/36/1074349236.db2.gz RWLKRZVJYMVICX-WMLDXEAASA-N 0 0 447.583 -0.058 20 30 IBEDRN C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCn1cncn1 ZINC001300805494 1073848356 /nfs/dbraw/zinc/84/83/56/1073848356.db2.gz FMYJUTYFGIACBK-CRAIPNDOSA-N 0 0 434.526 -0.105 20 30 IBEDRN C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCn1cncn1 ZINC001300805495 1073848440 /nfs/dbraw/zinc/84/84/40/1073848440.db2.gz FMYJUTYFGIACBK-MAUKXSAKSA-N 0 0 434.526 -0.105 20 30 IBEDRN C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC(=O)N1 ZINC001300806391 1073848409 /nfs/dbraw/zinc/84/84/09/1073848409.db2.gz UFBSZQNUFYSRJL-SPYBWZPUSA-N 0 0 436.538 -0.118 20 30 IBEDRN C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC(=O)N1 ZINC001300806392 1073848371 /nfs/dbraw/zinc/84/83/71/1073848371.db2.gz UFBSZQNUFYSRJL-ZRGWGRIASA-N 0 0 436.538 -0.118 20 30 IBEDRN CO[C@@H]1COCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1 ZINC001300862510 1073849389 /nfs/dbraw/zinc/84/93/89/1073849389.db2.gz KLTWUMXSHOBOSM-FXUDXRNXSA-N 0 0 425.511 -0.040 20 30 IBEDRN CO[C@@H]1COCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1 ZINC001300862511 1073849423 /nfs/dbraw/zinc/84/94/23/1073849423.db2.gz KLTWUMXSHOBOSM-KLHDSHLOSA-N 0 0 425.511 -0.040 20 30 IBEDRN CO[C@@H]1COCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1 ZINC001300862512 1073849412 /nfs/dbraw/zinc/84/94/12/1073849412.db2.gz KLTWUMXSHOBOSM-LVQVYYBASA-N 0 0 425.511 -0.040 20 30 IBEDRN CO[C@@H]1COCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1 ZINC001300862513 1073849445 /nfs/dbraw/zinc/84/94/45/1073849445.db2.gz KLTWUMXSHOBOSM-QKPAOTATSA-N 0 0 425.511 -0.040 20 30 IBEDRN C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001300877501 1073849896 /nfs/dbraw/zinc/84/98/96/1073849896.db2.gz YHFZFYORWFHPNL-JYJNAYRXSA-N 0 0 445.524 -0.456 20 30 IBEDRN C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001300877505 1073849783 /nfs/dbraw/zinc/84/97/83/1073849783.db2.gz YHFZFYORWFHPNL-OAGGEKHMSA-N 0 0 445.524 -0.456 20 30 IBEDRN C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001300877507 1073849724 /nfs/dbraw/zinc/84/97/24/1073849724.db2.gz YHFZFYORWFHPNL-PMPSAXMXSA-N 0 0 445.524 -0.456 20 30 IBEDRN C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001300877509 1073850076 /nfs/dbraw/zinc/85/00/76/1073850076.db2.gz YHFZFYORWFHPNL-XHSDSOJGSA-N 0 0 445.524 -0.456 20 30 IBEDRN C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@]1(O)CCS(=O)(=O)C1 ZINC001300901313 1073851244 /nfs/dbraw/zinc/85/12/44/1073851244.db2.gz XMFAZQPAMCOIET-BBRMVZONSA-N 0 0 435.572 -0.160 20 30 IBEDRN C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@]1(O)CCS(=O)(=O)C1 ZINC001300901314 1073851172 /nfs/dbraw/zinc/85/11/72/1073851172.db2.gz XMFAZQPAMCOIET-CJNGLKHVSA-N 0 0 435.572 -0.160 20 30 IBEDRN C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@]1(O)CCS(=O)(=O)C1 ZINC001300901315 1073850959 /nfs/dbraw/zinc/85/09/59/1073850959.db2.gz XMFAZQPAMCOIET-CZUORRHYSA-N 0 0 435.572 -0.160 20 30 IBEDRN C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@]1(O)CCS(=O)(=O)C1 ZINC001300901316 1073851032 /nfs/dbraw/zinc/85/10/32/1073851032.db2.gz XMFAZQPAMCOIET-XJKSGUPXSA-N 0 0 435.572 -0.160 20 30 IBEDRN C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC001300950674 1073852636 /nfs/dbraw/zinc/85/26/36/1073852636.db2.gz LYJGTRNVOXVHLD-AWEZNQCLSA-N 0 0 436.538 -0.317 20 30 IBEDRN C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC001300950675 1073853342 /nfs/dbraw/zinc/85/33/42/1073853342.db2.gz LYJGTRNVOXVHLD-CQSZACIVSA-N 0 0 436.538 -0.317 20 30 IBEDRN C=C(C)COCCn1c(C(=O)NC(CC)CC)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001300972805 1073853328 /nfs/dbraw/zinc/85/33/28/1073853328.db2.gz QEDPWQAZMLBYNX-INIZCTEOSA-N 0 0 447.540 -0.064 20 30 IBEDRN C=C(C)COCCn1c(C(=O)NC(CC)CC)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001300972807 1073853137 /nfs/dbraw/zinc/85/31/37/1073853137.db2.gz QEDPWQAZMLBYNX-MRXNPFEDSA-N 0 0 447.540 -0.064 20 30 IBEDRN C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@]1(CO)COCC2(CCC2)N1C ZINC001300987300 1073853989 /nfs/dbraw/zinc/85/39/89/1073853989.db2.gz SAIQQKGBGQTTDZ-FOIQADDNSA-N 0 0 436.534 -0.043 20 30 IBEDRN C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@]1(CO)COCC2(CCC2)N1C ZINC001300987304 1073853969 /nfs/dbraw/zinc/85/39/69/1073853969.db2.gz SAIQQKGBGQTTDZ-MGPUTAFESA-N 0 0 436.534 -0.043 20 30 IBEDRN C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@]1(CO)COCC2(CCC2)N1C ZINC001300987306 1073853755 /nfs/dbraw/zinc/85/37/55/1073853755.db2.gz SAIQQKGBGQTTDZ-QRWLVFNGSA-N 0 0 436.534 -0.043 20 30 IBEDRN C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@]1(CO)COCC2(CCC2)N1C ZINC001300987308 1073854013 /nfs/dbraw/zinc/85/40/13/1073854013.db2.gz SAIQQKGBGQTTDZ-YWZLYKJASA-N 0 0 436.534 -0.043 20 30 IBEDRN C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001300997075 1073853671 /nfs/dbraw/zinc/85/36/71/1073853671.db2.gz PCEUOSGDXRIHNX-HNNXBMFYSA-N 0 0 431.497 -0.860 20 30 IBEDRN C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001300997083 1073853732 /nfs/dbraw/zinc/85/37/32/1073853732.db2.gz PCEUOSGDXRIHNX-OAHLLOKOSA-N 0 0 431.497 -0.860 20 30 IBEDRN COC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1)OC ZINC001301002678 1073854591 /nfs/dbraw/zinc/85/45/91/1073854591.db2.gz HXGIYZXDGWGLEE-DLBZAZTESA-N 0 0 439.476 -0.375 20 30 IBEDRN COC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1)OC ZINC001301002679 1073854520 /nfs/dbraw/zinc/85/45/20/1073854520.db2.gz HXGIYZXDGWGLEE-IAGOWNOFSA-N 0 0 439.476 -0.375 20 30 IBEDRN COC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1)OC ZINC001301002680 1073854611 /nfs/dbraw/zinc/85/46/11/1073854611.db2.gz HXGIYZXDGWGLEE-IRXDYDNUSA-N 0 0 439.476 -0.375 20 30 IBEDRN COC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1)OC ZINC001301002681 1073854545 /nfs/dbraw/zinc/85/45/45/1073854545.db2.gz HXGIYZXDGWGLEE-SJORKVTESA-N 0 0 439.476 -0.375 20 30 IBEDRN C=C(Cl)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 ZINC001301036285 1073856058 /nfs/dbraw/zinc/85/60/58/1073856058.db2.gz BSZUMPUXHSWGBO-GFCCVEGCSA-N 0 0 449.903 -0.552 20 30 IBEDRN C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 ZINC001301036290 1073856119 /nfs/dbraw/zinc/85/61/19/1073856119.db2.gz BSZUMPUXHSWGBO-LBPRGKRZSA-N 0 0 449.903 -0.552 20 30 IBEDRN C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 ZINC001301036779 1073856068 /nfs/dbraw/zinc/85/60/68/1073856068.db2.gz LDEWTTZVVINILX-HNNXBMFYSA-N 0 0 437.932 -0.038 20 30 IBEDRN C=C(Cl)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 ZINC001301036780 1073856075 /nfs/dbraw/zinc/85/60/75/1073856075.db2.gz LDEWTTZVVINILX-OAHLLOKOSA-N 0 0 437.932 -0.038 20 30 IBEDRN C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2C(=O)NC[C@@H]2C1 ZINC001301043784 1073856053 /nfs/dbraw/zinc/85/60/53/1073856053.db2.gz DLDGGMVIXZEYFE-CHWSQXEVSA-N 0 0 445.933 -0.423 20 30 IBEDRN C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2C(=O)NC[C@@H]2C1 ZINC001301043787 1073856082 /nfs/dbraw/zinc/85/60/82/1073856082.db2.gz DLDGGMVIXZEYFE-OLZOCXBDSA-N 0 0 445.933 -0.423 20 30 IBEDRN C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2C(=O)NC[C@H]2C1 ZINC001301043789 1073856038 /nfs/dbraw/zinc/85/60/38/1073856038.db2.gz DLDGGMVIXZEYFE-QWHCGFSZSA-N 0 0 445.933 -0.423 20 30 IBEDRN C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2C(=O)NC[C@H]2C1 ZINC001301043791 1073856024 /nfs/dbraw/zinc/85/60/24/1073856024.db2.gz DLDGGMVIXZEYFE-STQMWFEESA-N 0 0 445.933 -0.423 20 30 IBEDRN COC[C@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001301055299 1073856094 /nfs/dbraw/zinc/85/60/94/1073856094.db2.gz YTLZNVUNVBNNNF-CVEARBPZSA-N 0 0 427.440 -0.052 20 30 IBEDRN COC[C@@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001301055305 1073856150 /nfs/dbraw/zinc/85/61/50/1073856150.db2.gz YTLZNVUNVBNNNF-HOTGVXAUSA-N 0 0 427.440 -0.052 20 30 IBEDRN COC[C@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001301055307 1073856161 /nfs/dbraw/zinc/85/61/61/1073856161.db2.gz YTLZNVUNVBNNNF-HZPDHXFCSA-N 0 0 427.440 -0.052 20 30 IBEDRN COC[C@@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001301055310 1073856580 /nfs/dbraw/zinc/85/65/80/1073856580.db2.gz YTLZNVUNVBNNNF-JKSUJKDBSA-N 0 0 427.440 -0.052 20 30 IBEDRN C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 ZINC001301065782 1073856533 /nfs/dbraw/zinc/85/65/33/1073856533.db2.gz JGFGPNSGDGTCRO-BBRMVZONSA-N 0 0 433.556 -0.406 20 30 IBEDRN C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 ZINC001301065790 1073856608 /nfs/dbraw/zinc/85/66/08/1073856608.db2.gz JGFGPNSGDGTCRO-CJNGLKHVSA-N 0 0 433.556 -0.406 20 30 IBEDRN C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 ZINC001301065791 1073856602 /nfs/dbraw/zinc/85/66/02/1073856602.db2.gz JGFGPNSGDGTCRO-CZUORRHYSA-N 0 0 433.556 -0.406 20 30 IBEDRN C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 ZINC001301065792 1073856584 /nfs/dbraw/zinc/85/65/84/1073856584.db2.gz JGFGPNSGDGTCRO-XJKSGUPXSA-N 0 0 433.556 -0.406 20 30 IBEDRN COC(=O)[C@]1(N2CCN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CC2)CCOC1 ZINC001301069502 1073857100 /nfs/dbraw/zinc/85/71/00/1073857100.db2.gz CUHRVBUHIJYAND-IBGZPJMESA-N 0 0 436.490 -0.799 20 30 IBEDRN COC(=O)[C@@]1(N2CCN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CC2)CCOC1 ZINC001301069505 1073856971 /nfs/dbraw/zinc/85/69/71/1073856971.db2.gz CUHRVBUHIJYAND-LJQANCHMSA-N 0 0 436.490 -0.799 20 30 IBEDRN C=CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC001301197312 1073859282 /nfs/dbraw/zinc/85/92/82/1073859282.db2.gz HWOCCPFKBKVNAJ-UHFFFAOYSA-N 0 0 447.540 -0.110 20 30 IBEDRN C#CC1(O)CCN(C(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccccc2)CC1 ZINC001301219491 1073859224 /nfs/dbraw/zinc/85/92/24/1073859224.db2.gz LDYKYELHWYYKLG-INIZCTEOSA-N 0 0 428.532 -0.245 20 30 IBEDRN C#CC1(O)CCN(C(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccccc2)CC1 ZINC001301219493 1073859296 /nfs/dbraw/zinc/85/92/96/1073859296.db2.gz LDYKYELHWYYKLG-MRXNPFEDSA-N 0 0 428.532 -0.245 20 30 IBEDRN C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C(=O)NC)C1 ZINC001301223542 1073859271 /nfs/dbraw/zinc/85/92/71/1073859271.db2.gz XSOBMTZYRJRGGF-CABCVRRESA-N 0 0 442.542 -0.472 20 30 IBEDRN C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C(=O)NC)C1 ZINC001301223543 1073859278 /nfs/dbraw/zinc/85/92/78/1073859278.db2.gz XSOBMTZYRJRGGF-GJZGRUSLSA-N 0 0 442.542 -0.472 20 30 IBEDRN C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C(=O)NC)C1 ZINC001301223544 1073859210 /nfs/dbraw/zinc/85/92/10/1073859210.db2.gz XSOBMTZYRJRGGF-HUUCEWRRSA-N 0 0 442.542 -0.472 20 30 IBEDRN C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C(=O)NC)C1 ZINC001301223545 1073859240 /nfs/dbraw/zinc/85/92/40/1073859240.db2.gz XSOBMTZYRJRGGF-LSDHHAIUSA-N 0 0 442.542 -0.472 20 30 IBEDRN C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C(N)=O)C1 ZINC001301258351 1073859647 /nfs/dbraw/zinc/85/96/47/1073859647.db2.gz QLVRHJARGWUPTJ-CABCVRRESA-N 0 0 442.542 -0.485 20 30 IBEDRN C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C(N)=O)C1 ZINC001301258352 1073859855 /nfs/dbraw/zinc/85/98/55/1073859855.db2.gz QLVRHJARGWUPTJ-GJZGRUSLSA-N 0 0 442.542 -0.485 20 30 IBEDRN C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C(N)=O)C1 ZINC001301258353 1073859843 /nfs/dbraw/zinc/85/98/43/1073859843.db2.gz QLVRHJARGWUPTJ-HUUCEWRRSA-N 0 0 442.542 -0.485 20 30 IBEDRN C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C(N)=O)C1 ZINC001301258354 1073859832 /nfs/dbraw/zinc/85/98/32/1073859832.db2.gz QLVRHJARGWUPTJ-LSDHHAIUSA-N 0 0 442.542 -0.485 20 30 IBEDRN C=CCCOCCn1c(N2CCN3C(=O)C(=O)NC[C@H]3C2)nnc1[C@@]1(OCC)CCOC1 ZINC001301261742 1073859615 /nfs/dbraw/zinc/85/96/15/1073859615.db2.gz LCYXPQMKEOUMMG-HRAATJIYSA-N 0 0 448.524 -0.330 20 30 IBEDRN C=CCCOCCn1c(N2CCN3C(=O)C(=O)NC[C@@H]3C2)nnc1[C@]1(OCC)CCOC1 ZINC001301261751 1073859661 /nfs/dbraw/zinc/85/96/61/1073859661.db2.gz LCYXPQMKEOUMMG-IERDGZPVSA-N 0 0 448.524 -0.330 20 30 IBEDRN C=CCCOCCn1c(N2CCN3C(=O)C(=O)NC[C@@H]3C2)nnc1[C@@]1(OCC)CCOC1 ZINC001301261753 1073859885 /nfs/dbraw/zinc/85/98/85/1073859885.db2.gz LCYXPQMKEOUMMG-IIBYNOLFSA-N 0 0 448.524 -0.330 20 30 IBEDRN C=CCCOCCn1c(N2CCN3C(=O)C(=O)NC[C@H]3C2)nnc1[C@]1(OCC)CCOC1 ZINC001301261755 1073859635 /nfs/dbraw/zinc/85/96/35/1073859635.db2.gz LCYXPQMKEOUMMG-KKSFZXQISA-N 0 0 448.524 -0.330 20 30 IBEDRN C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(O)CCOC1)C1CC1 ZINC001301327776 1073860294 /nfs/dbraw/zinc/86/02/94/1073860294.db2.gz XBLADANBMJREKQ-CRAIPNDOSA-N 0 0 427.527 -0.083 20 30 IBEDRN C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(O)CCOC1)C1CC1 ZINC001301327777 1073860233 /nfs/dbraw/zinc/86/02/33/1073860233.db2.gz XBLADANBMJREKQ-MAUKXSAKSA-N 0 0 427.527 -0.083 20 30 IBEDRN C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(O)CCOC1)C1CC1 ZINC001301327778 1073860137 /nfs/dbraw/zinc/86/01/37/1073860137.db2.gz XBLADANBMJREKQ-QAPCUYQASA-N 0 0 427.527 -0.083 20 30 IBEDRN C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(O)CCOC1)C1CC1 ZINC001301327779 1073860317 /nfs/dbraw/zinc/86/03/17/1073860317.db2.gz XBLADANBMJREKQ-YJBOKZPZSA-N 0 0 427.527 -0.083 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2CCO[C@H](c3ccc(S(C)(=O)=O)cc3)C2)C1=O ZINC001301370756 1073861103 /nfs/dbraw/zinc/86/11/03/1073861103.db2.gz YJIKLIISUVHQJU-HNNXBMFYSA-N 0 0 435.458 -0.033 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2CCO[C@@H](c3ccc(S(C)(=O)=O)cc3)C2)C1=O ZINC001301370759 1073861124 /nfs/dbraw/zinc/86/11/24/1073861124.db2.gz YJIKLIISUVHQJU-OAHLLOKOSA-N 0 0 435.458 -0.033 20 30 IBEDRN C=CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@]1(O)CCS(=O)(=O)C1 ZINC001301425694 1073862150 /nfs/dbraw/zinc/86/21/50/1073862150.db2.gz JOJUJXKIVMFEBY-GOSISDBHSA-N 0 0 427.527 -0.411 20 30 IBEDRN C=CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@@]1(O)CCS(=O)(=O)C1 ZINC001301425705 1073862308 /nfs/dbraw/zinc/86/23/08/1073862308.db2.gz JOJUJXKIVMFEBY-SFHVURJKSA-N 0 0 427.527 -0.411 20 30 IBEDRN C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(NS(C)(=O)=O)CC1 ZINC001301458032 1073863187 /nfs/dbraw/zinc/86/31/87/1073863187.db2.gz LHKUNKJGEGTILD-AWEZNQCLSA-N 0 0 448.571 -0.685 20 30 IBEDRN C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(NS(C)(=O)=O)CC1 ZINC001301458033 1073863273 /nfs/dbraw/zinc/86/32/73/1073863273.db2.gz LHKUNKJGEGTILD-CQSZACIVSA-N 0 0 448.571 -0.685 20 30 IBEDRN C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(=O)COC)CC1 ZINC001301458115 1073863251 /nfs/dbraw/zinc/86/32/51/1073863251.db2.gz OJDXYKNKYABGNK-AWEZNQCLSA-N 0 0 428.515 -0.908 20 30 IBEDRN C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(=O)COC)CC1 ZINC001301458120 1073863305 /nfs/dbraw/zinc/86/33/05/1073863305.db2.gz OJDXYKNKYABGNK-CQSZACIVSA-N 0 0 428.515 -0.908 20 30 IBEDRN C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC001301458385 1073863145 /nfs/dbraw/zinc/86/31/45/1073863145.db2.gz URMWLLWTGUUOIZ-HZSPNIEDSA-N 0 0 426.499 -0.268 20 30 IBEDRN C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC001301458386 1073863319 /nfs/dbraw/zinc/86/33/19/1073863319.db2.gz URMWLLWTGUUOIZ-RDBSUJKOSA-N 0 0 426.499 -0.268 20 30 IBEDRN C=CCn1c(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)nnc1[C@]1(OCC)CCOC1 ZINC001301474323 1073863705 /nfs/dbraw/zinc/86/37/05/1073863705.db2.gz ZGCRLWLHWFSJGE-NRFANRHFSA-N 0 0 448.524 -0.376 20 30 IBEDRN C=CCn1c(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)nnc1[C@@]1(OCC)CCOC1 ZINC001301474324 1073863756 /nfs/dbraw/zinc/86/37/56/1073863756.db2.gz ZGCRLWLHWFSJGE-OAQYLSRUSA-N 0 0 448.524 -0.376 20 30 IBEDRN C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cccnn2)CC1 ZINC001301475447 1073863657 /nfs/dbraw/zinc/86/36/57/1073863657.db2.gz RNICYFJGLQOXQV-UHFFFAOYSA-N 0 0 425.497 -0.067 20 30 IBEDRN C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 ZINC001301475533 1073863781 /nfs/dbraw/zinc/86/37/81/1073863781.db2.gz VKPQCGVFPQQUGZ-AWEZNQCLSA-N 0 0 444.496 -0.711 20 30 IBEDRN C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 ZINC001301475534 1073863604 /nfs/dbraw/zinc/86/36/04/1073863604.db2.gz VKPQCGVFPQQUGZ-CQSZACIVSA-N 0 0 444.496 -0.711 20 30 IBEDRN C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](N2CCCC2=O)C1 ZINC001301477439 1073863669 /nfs/dbraw/zinc/86/36/69/1073863669.db2.gz APBTXCJFFYYCPR-KBPBESRZSA-N 0 0 439.542 -0.608 20 30 IBEDRN C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](N2CCCC2=O)C1 ZINC001301477440 1073863595 /nfs/dbraw/zinc/86/35/95/1073863595.db2.gz APBTXCJFFYYCPR-KGLIPLIRSA-N 0 0 439.542 -0.608 20 30 IBEDRN C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](N2CCCC2=O)C1 ZINC001301477441 1073863730 /nfs/dbraw/zinc/86/37/30/1073863730.db2.gz APBTXCJFFYYCPR-UONOGXRCSA-N 0 0 439.542 -0.608 20 30 IBEDRN C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](N2CCCC2=O)C1 ZINC001301477442 1073863691 /nfs/dbraw/zinc/86/36/91/1073863691.db2.gz APBTXCJFFYYCPR-ZIAGYGMSSA-N 0 0 439.542 -0.608 20 30 IBEDRN C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)COC)CC1 ZINC001301477662 1073863621 /nfs/dbraw/zinc/86/36/21/1073863621.db2.gz CTIMOFBYYWCZMX-UHFFFAOYSA-N 0 0 442.480 -0.477 20 30 IBEDRN C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC001301477770 1073863721 /nfs/dbraw/zinc/86/37/21/1073863721.db2.gz FDZIQXVOGFFMFL-UHFFFAOYSA-N 0 0 433.513 -0.789 20 30 IBEDRN C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](NC(=O)CC)C1 ZINC001301477820 1073863794 /nfs/dbraw/zinc/86/37/94/1073863794.db2.gz FRKWUFFDTPYMDU-KBPBESRZSA-N 0 0 441.558 -0.315 20 30 IBEDRN C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](NC(=O)CC)C1 ZINC001301477822 1073863631 /nfs/dbraw/zinc/86/36/31/1073863631.db2.gz FRKWUFFDTPYMDU-KGLIPLIRSA-N 0 0 441.558 -0.315 20 30 IBEDRN C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](NC(=O)CC)C1 ZINC001301477824 1073863736 /nfs/dbraw/zinc/86/37/36/1073863736.db2.gz FRKWUFFDTPYMDU-UONOGXRCSA-N 0 0 441.558 -0.315 20 30 IBEDRN C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](NC(=O)CC)C1 ZINC001301477916 1073863743 /nfs/dbraw/zinc/86/37/43/1073863743.db2.gz FRKWUFFDTPYMDU-ZIAGYGMSSA-N 0 0 441.558 -0.315 20 30 IBEDRN C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CCN1CCOCC1 ZINC001301478001 1073863578 /nfs/dbraw/zinc/86/35/78/1073863578.db2.gz GOGJMVBRIDYQLT-UHFFFAOYSA-N 0 0 428.497 -0.004 20 30 IBEDRN C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCc2nn(C)c(=O)cc2C1 ZINC001301478194 1073863645 /nfs/dbraw/zinc/86/36/45/1073863645.db2.gz IMKVZUPBZIZPGO-UHFFFAOYSA-N 0 0 449.475 -0.116 20 30 IBEDRN C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)O[C@@H](COC)C1 ZINC001301478679 1073863768 /nfs/dbraw/zinc/86/37/68/1073863768.db2.gz OAPWAIUXBDLRJZ-HZSPNIEDSA-N 0 0 430.531 -0.569 20 30 IBEDRN C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@H](COC)C1 ZINC001301478680 1073863681 /nfs/dbraw/zinc/86/36/81/1073863681.db2.gz OAPWAIUXBDLRJZ-IHRRRGAJSA-N 0 0 430.531 -0.569 20 30 IBEDRN C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](COC)O[C@@H](C)C1 ZINC001301478681 1073864085 /nfs/dbraw/zinc/86/40/85/1073864085.db2.gz OAPWAIUXBDLRJZ-MELADBBJSA-N 0 0 430.531 -0.569 20 30 IBEDRN C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)O[C@H](COC)C1 ZINC001301478682 1073864179 /nfs/dbraw/zinc/86/41/79/1073864179.db2.gz OAPWAIUXBDLRJZ-RDBSUJKOSA-N 0 0 430.531 -0.569 20 30 IBEDRN C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ncc(F)cn2)CC1 ZINC001301479087 1073864163 /nfs/dbraw/zinc/86/41/63/1073864163.db2.gz SJFBPFJRANEEPO-UHFFFAOYSA-N 0 0 431.476 -0.026 20 30 IBEDRN C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 ZINC001301479113 1073864220 /nfs/dbraw/zinc/86/42/20/1073864220.db2.gz UBMHKYCQRDQUQG-UHFFFAOYSA-N 0 0 431.501 -0.830 20 30 IBEDRN C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)NC2CC2)CC1 ZINC001301479140 1073864151 /nfs/dbraw/zinc/86/41/51/1073864151.db2.gz UPBCKNIDZHUDLR-UHFFFAOYSA-N 0 0 432.529 -0.881 20 30 IBEDRN C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCCN(S(C)(=O)=O)CC1 ZINC001301479230 1073864193 /nfs/dbraw/zinc/86/41/93/1073864193.db2.gz XEIGXBZUJCCAIU-UHFFFAOYSA-N 0 0 427.531 -0.810 20 30 IBEDRN C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 ZINC001301481585 1073864109 /nfs/dbraw/zinc/86/41/09/1073864109.db2.gz NDJQOGBALLDGGW-HZSPNIEDSA-N 0 0 439.542 -0.753 20 30 IBEDRN C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 ZINC001301481596 1073864206 /nfs/dbraw/zinc/86/42/06/1073864206.db2.gz NDJQOGBALLDGGW-MELADBBJSA-N 0 0 439.542 -0.753 20 30 IBEDRN C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)OC[C@]2(C)C1 ZINC001301482273 1073864211 /nfs/dbraw/zinc/86/42/11/1073864211.db2.gz UCXBXLYCBZHNNQ-PXAZEXFGSA-N 0 0 441.514 -0.779 20 30 IBEDRN C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)OC[C@]2(C)C1 ZINC001301482274 1073864118 /nfs/dbraw/zinc/86/41/18/1073864118.db2.gz UCXBXLYCBZHNNQ-SJCJKPOMSA-N 0 0 441.514 -0.779 20 30 IBEDRN C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 ZINC001301482275 1073864185 /nfs/dbraw/zinc/86/41/85/1073864185.db2.gz UCXBXLYCBZHNNQ-SJKOYZFVSA-N 0 0 441.514 -0.779 20 30 IBEDRN C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 ZINC001301482276 1073864172 /nfs/dbraw/zinc/86/41/72/1073864172.db2.gz UCXBXLYCBZHNNQ-YVEFUNNKSA-N 0 0 441.514 -0.779 20 30 IBEDRN C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001301483248 1073864142 /nfs/dbraw/zinc/86/41/42/1073864142.db2.gz LWCDNDNJYWLULE-HNNXBMFYSA-N 0 0 439.476 -0.597 20 30 IBEDRN C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001301483249 1073864070 /nfs/dbraw/zinc/86/40/70/1073864070.db2.gz LWCDNDNJYWLULE-OAHLLOKOSA-N 0 0 439.476 -0.597 20 30 IBEDRN C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 ZINC001301490613 1073864239 /nfs/dbraw/zinc/86/42/39/1073864239.db2.gz BNOSAOXDKKXUGU-UHFFFAOYSA-N 0 0 436.542 -0.159 20 30 IBEDRN C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC001301490894 1073864135 /nfs/dbraw/zinc/86/41/35/1073864135.db2.gz HTGZQBXJDDBTCH-INIZCTEOSA-N 0 0 448.553 -0.015 20 30 IBEDRN C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC001301490895 1073864093 /nfs/dbraw/zinc/86/40/93/1073864093.db2.gz HTGZQBXJDDBTCH-MRXNPFEDSA-N 0 0 448.553 -0.015 20 30 IBEDRN C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O ZINC001301491009 1073864248 /nfs/dbraw/zinc/86/42/48/1073864248.db2.gz KNVGWQSOVSHHBO-UHFFFAOYSA-N 0 0 427.469 -0.499 20 30 IBEDRN C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC001301491725 1073864229 /nfs/dbraw/zinc/86/42/29/1073864229.db2.gz WIQJAFRXIIHRAG-UHFFFAOYSA-N 0 0 440.508 -0.154 20 30 IBEDRN C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 ZINC001301491791 1073864125 /nfs/dbraw/zinc/86/41/25/1073864125.db2.gz ZBLKAYCSUDFWSD-UHFFFAOYSA-N 0 0 436.542 -0.159 20 30 IBEDRN C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001301492343 1073864561 /nfs/dbraw/zinc/86/45/61/1073864561.db2.gz FTSPQKJHBXGWIU-HNNXBMFYSA-N 0 0 439.476 -0.597 20 30 IBEDRN C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001301492344 1073864524 /nfs/dbraw/zinc/86/45/24/1073864524.db2.gz FTSPQKJHBXGWIU-OAHLLOKOSA-N 0 0 439.476 -0.597 20 30 IBEDRN C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCO[C@H](C(=O)NC)C1 ZINC001301496873 1073864504 /nfs/dbraw/zinc/86/45/04/1073864504.db2.gz JIZKWFLWOVRYJP-AWEZNQCLSA-N 0 0 431.453 -0.741 20 30 IBEDRN C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCO[C@@H](C(=O)NC)C1 ZINC001301496874 1073864537 /nfs/dbraw/zinc/86/45/37/1073864537.db2.gz JIZKWFLWOVRYJP-CQSZACIVSA-N 0 0 431.453 -0.741 20 30 IBEDRN C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 ZINC001301497111 1073864580 /nfs/dbraw/zinc/86/45/80/1073864580.db2.gz OQRYMSQKBYXOOQ-INIZCTEOSA-N 0 0 439.480 -0.196 20 30 IBEDRN C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 ZINC001301497112 1073864680 /nfs/dbraw/zinc/86/46/80/1073864680.db2.gz OQRYMSQKBYXOOQ-MRXNPFEDSA-N 0 0 439.480 -0.196 20 30 IBEDRN C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 ZINC001301499610 1073864545 /nfs/dbraw/zinc/86/45/45/1073864545.db2.gz CRQBOBHZJXUPDT-CVEARBPZSA-N 0 0 438.554 -0.213 20 30 IBEDRN C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 ZINC001301499619 1073864496 /nfs/dbraw/zinc/86/44/96/1073864496.db2.gz CRQBOBHZJXUPDT-HOTGVXAUSA-N 0 0 438.554 -0.213 20 30 IBEDRN C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 ZINC001301499620 1073864570 /nfs/dbraw/zinc/86/45/70/1073864570.db2.gz CRQBOBHZJXUPDT-HZPDHXFCSA-N 0 0 438.554 -0.213 20 30 IBEDRN C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 ZINC001301499621 1073864554 /nfs/dbraw/zinc/86/45/54/1073864554.db2.gz CRQBOBHZJXUPDT-JKSUJKDBSA-N 0 0 438.554 -0.213 20 30 IBEDRN C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](NC(=O)CC)C1 ZINC001301499622 1073864601 /nfs/dbraw/zinc/86/46/01/1073864601.db2.gz CRXFVUPXOBZKBK-CABCVRRESA-N 0 0 438.554 -0.023 20 30 IBEDRN C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](NC(=O)CC)C1 ZINC001301499624 1073864669 /nfs/dbraw/zinc/86/46/69/1073864669.db2.gz CRXFVUPXOBZKBK-GJZGRUSLSA-N 0 0 438.554 -0.023 20 30 IBEDRN C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](NC(=O)CC)C1 ZINC001301499625 1073864594 /nfs/dbraw/zinc/86/45/94/1073864594.db2.gz CRXFVUPXOBZKBK-HUUCEWRRSA-N 0 0 438.554 -0.023 20 30 IBEDRN C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](NC(=O)CC)C1 ZINC001301499626 1073864631 /nfs/dbraw/zinc/86/46/31/1073864631.db2.gz CRXFVUPXOBZKBK-LSDHHAIUSA-N 0 0 438.554 -0.023 20 30 IBEDRN C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)C(C)C)CC1 ZINC001301499633 1073864690 /nfs/dbraw/zinc/86/46/90/1073864690.db2.gz CUGCDGUIWXHBPW-HNNXBMFYSA-N 0 0 438.554 -0.213 20 30 IBEDRN C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)C(C)C)CC1 ZINC001301499634 1073864657 /nfs/dbraw/zinc/86/46/57/1073864657.db2.gz CUGCDGUIWXHBPW-OAHLLOKOSA-N 0 0 438.554 -0.213 20 30 IBEDRN C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCS(=O)(=O)CC ZINC001301499671 1073864619 /nfs/dbraw/zinc/86/46/19/1073864619.db2.gz DKQGQRUEWTUXEX-CYBMUJFWSA-N 0 0 433.556 -0.647 20 30 IBEDRN C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCS(=O)(=O)CC ZINC001301499676 1073864483 /nfs/dbraw/zinc/86/44/83/1073864483.db2.gz DKQGQRUEWTUXEX-ZDUSSCGKSA-N 0 0 433.556 -0.647 20 30 IBEDRN C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 ZINC001301499763 1073864516 /nfs/dbraw/zinc/86/45/16/1073864516.db2.gz FQNNNJJMBJSAGR-KRWDZBQOSA-N 0 0 431.541 -0.171 20 30 IBEDRN C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 ZINC001301499764 1073864643 /nfs/dbraw/zinc/86/46/43/1073864643.db2.gz FQNNNJJMBJSAGR-QGZVFWFLSA-N 0 0 431.541 -0.171 20 30 IBEDRN C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC(NS(C)(=O)=O)CC1 ZINC001301500184 1073865241 /nfs/dbraw/zinc/86/52/41/1073865241.db2.gz JUKSNIRYMBWLLO-AWEZNQCLSA-N 0 0 426.543 -0.008 20 30 IBEDRN C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(NS(C)(=O)=O)CC1 ZINC001301500186 1073865185 /nfs/dbraw/zinc/86/51/85/1073865185.db2.gz JUKSNIRYMBWLLO-CQSZACIVSA-N 0 0 426.543 -0.008 20 30 IBEDRN C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](CC)C1 ZINC001301500723 1073865257 /nfs/dbraw/zinc/86/52/57/1073865257.db2.gz OWRMJHWGAZCWFW-CABCVRRESA-N 0 0 442.542 -0.472 20 30 IBEDRN C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](CC)C1 ZINC001301500725 1073865213 /nfs/dbraw/zinc/86/52/13/1073865213.db2.gz OWRMJHWGAZCWFW-GJZGRUSLSA-N 0 0 442.542 -0.472 20 30 IBEDRN C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](CC)C1 ZINC001301500726 1073865112 /nfs/dbraw/zinc/86/51/12/1073865112.db2.gz OWRMJHWGAZCWFW-HUUCEWRRSA-N 0 0 442.542 -0.472 20 30 IBEDRN C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](CC)C1 ZINC001301500727 1073865228 /nfs/dbraw/zinc/86/52/28/1073865228.db2.gz OWRMJHWGAZCWFW-LSDHHAIUSA-N 0 0 442.542 -0.472 20 30 IBEDRN C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CO)CC1 ZINC001301500839 1073865203 /nfs/dbraw/zinc/86/52/03/1073865203.db2.gz PUNBOFFCGGMHRG-HNNXBMFYSA-N 0 0 442.542 -0.878 20 30 IBEDRN C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CO)CC1 ZINC001301500840 1073865149 /nfs/dbraw/zinc/86/51/49/1073865149.db2.gz PUNBOFFCGGMHRG-OAHLLOKOSA-N 0 0 442.542 -0.878 20 30 IBEDRN C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC001301501351 1073865094 /nfs/dbraw/zinc/86/50/94/1073865094.db2.gz VEZDNBGJNFGTFT-MCIONIFRSA-N 0 0 438.510 -0.583 20 30 IBEDRN C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC001301501352 1073865308 /nfs/dbraw/zinc/86/53/08/1073865308.db2.gz VEZDNBGJNFGTFT-MJBXVCDLSA-N 0 0 438.510 -0.583 20 30 IBEDRN C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCSCC1 ZINC001301501372 1073865353 /nfs/dbraw/zinc/86/53/53/1073865353.db2.gz VSECZILZTZFTMQ-CYBMUJFWSA-N 0 0 430.556 -0.534 20 30 IBEDRN C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCSCC1 ZINC001301501373 1073865127 /nfs/dbraw/zinc/86/51/27/1073865127.db2.gz VSECZILZTZFTMQ-ZDUSSCGKSA-N 0 0 430.556 -0.534 20 30 IBEDRN C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCCN(S(C)(=O)=O)CC1 ZINC001301501438 1073865293 /nfs/dbraw/zinc/86/52/93/1073865293.db2.gz XDBNEKXGCWNDFI-HNNXBMFYSA-N 0 0 426.543 -0.054 20 30 IBEDRN C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCCN(S(C)(=O)=O)CC1 ZINC001301501439 1073865063 /nfs/dbraw/zinc/86/50/63/1073865063.db2.gz XDBNEKXGCWNDFI-OAHLLOKOSA-N 0 0 426.543 -0.054 20 30 IBEDRN C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ncccn2)CC1 ZINC001301501468 1073865277 /nfs/dbraw/zinc/86/52/77/1073865277.db2.gz XLJQCTIPYPIOAW-HNNXBMFYSA-N 0 0 446.537 -0.401 20 30 IBEDRN C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ncccn2)CC1 ZINC001301501469 1073865339 /nfs/dbraw/zinc/86/53/39/1073865339.db2.gz XLJQCTIPYPIOAW-OAHLLOKOSA-N 0 0 446.537 -0.401 20 30 IBEDRN C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC(CNS(C)(=O)=O)CC1 ZINC001301501515 1073865031 /nfs/dbraw/zinc/86/50/31/1073865031.db2.gz YOMNHKYEUJJSOT-HNNXBMFYSA-N 0 0 426.543 -0.150 20 30 IBEDRN C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC(CNS(C)(=O)=O)CC1 ZINC001301501516 1073865077 /nfs/dbraw/zinc/86/50/77/1073865077.db2.gz YOMNHKYEUJJSOT-OAHLLOKOSA-N 0 0 426.543 -0.150 20 30 IBEDRN C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC001301501518 1073865169 /nfs/dbraw/zinc/86/51/69/1073865169.db2.gz YRTMEVFERFRTEG-CLCXKQKWSA-N 0 0 439.538 -0.133 20 30 IBEDRN C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 ZINC001301501519 1073865322 /nfs/dbraw/zinc/86/53/22/1073865322.db2.gz YRTMEVFERFRTEG-KHYOSLBOSA-N 0 0 439.538 -0.133 20 30 IBEDRN C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 ZINC001301501520 1073865557 /nfs/dbraw/zinc/86/55/57/1073865557.db2.gz YRTMEVFERFRTEG-QMTMVMCOSA-N 0 0 439.538 -0.133 20 30 IBEDRN C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC001301501521 1073865678 /nfs/dbraw/zinc/86/56/78/1073865678.db2.gz YRTMEVFERFRTEG-SPYBWZPUSA-N 0 0 439.538 -0.133 20 30 IBEDRN C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@]2(CCOC2)C1 ZINC001301501542 1073865629 /nfs/dbraw/zinc/86/56/29/1073865629.db2.gz ZAVZXILEVGNZPV-KBXCAEBGSA-N 0 0 425.511 -0.522 20 30 IBEDRN C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@]2(CCOC2)C1 ZINC001301501543 1073865788 /nfs/dbraw/zinc/86/57/88/1073865788.db2.gz ZAVZXILEVGNZPV-KDOFPFPSSA-N 0 0 425.511 -0.522 20 30 IBEDRN C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@]2(CCOC2)C1 ZINC001301501544 1073865586 /nfs/dbraw/zinc/86/55/86/1073865586.db2.gz ZAVZXILEVGNZPV-KSSFIOAISA-N 0 0 425.511 -0.522 20 30 IBEDRN C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@]2(CCOC2)C1 ZINC001301501545 1073865761 /nfs/dbraw/zinc/86/57/61/1073865761.db2.gz ZAVZXILEVGNZPV-RDTXWAMCSA-N 0 0 425.511 -0.522 20 30 IBEDRN C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC001301501700 1073865748 /nfs/dbraw/zinc/86/57/48/1073865748.db2.gz ZUKPDCATEMJGHM-AWEZNQCLSA-N 0 0 431.497 -0.989 20 30 IBEDRN C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC001301501709 1073865719 /nfs/dbraw/zinc/86/57/19/1073865719.db2.gz ZUKPDCATEMJGHM-CQSZACIVSA-N 0 0 431.497 -0.989 20 30 IBEDRN C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OCC)CC1 ZINC001301501712 1073865636 /nfs/dbraw/zinc/86/56/36/1073865636.db2.gz ZUUHLFUPXKMTFU-AWEZNQCLSA-N 0 0 440.526 -0.239 20 30 IBEDRN C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OCC)CC1 ZINC001301501741 1073865830 /nfs/dbraw/zinc/86/58/30/1073865830.db2.gz ZUUHLFUPXKMTFU-CQSZACIVSA-N 0 0 440.526 -0.239 20 30 IBEDRN C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 ZINC001301502932 1073865565 /nfs/dbraw/zinc/86/55/65/1073865565.db2.gz SWIFDSLLZNTYHH-UHFFFAOYSA-N 0 0 433.557 -0.240 20 30 IBEDRN C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001301507104 1073865602 /nfs/dbraw/zinc/86/56/02/1073865602.db2.gz WSOLMIDLVUPQKG-INIZCTEOSA-N 0 0 441.467 -0.543 20 30 IBEDRN C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001301507105 1073865614 /nfs/dbraw/zinc/86/56/14/1073865614.db2.gz WSOLMIDLVUPQKG-MRXNPFEDSA-N 0 0 441.467 -0.543 20 30 IBEDRN C=CCNC(=O)Cn1c(COCC)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC001301519154 1073865773 /nfs/dbraw/zinc/86/57/73/1073865773.db2.gz NBWKXABYTLHFNM-UHFFFAOYSA-N 0 0 433.513 -0.612 20 30 IBEDRN C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC001301520599 1073865657 /nfs/dbraw/zinc/86/56/57/1073865657.db2.gz JKYTVPWYPBGVIB-OAHLLOKOSA-N 0 0 431.497 -0.641 20 30 IBEDRN C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(=O)N(C)C)CC1 ZINC001301520842 1073865837 /nfs/dbraw/zinc/86/58/37/1073865837.db2.gz QUMAJSIHHUZKLI-LPHOPBHVSA-N 0 0 449.556 -0.486 20 30 IBEDRN C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 ZINC001301534458 1073866558 /nfs/dbraw/zinc/86/65/58/1073866558.db2.gz BFKUHUMQRVXPCH-BEFAXECRSA-N 0 0 439.538 -0.155 20 30 IBEDRN C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 ZINC001301534459 1073866565 /nfs/dbraw/zinc/86/65/65/1073866565.db2.gz BFKUHUMQRVXPCH-DNVCBOLYSA-N 0 0 439.538 -0.155 20 30 IBEDRN C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 ZINC001301534460 1073866383 /nfs/dbraw/zinc/86/63/83/1073866383.db2.gz BFKUHUMQRVXPCH-HNAYVOBHSA-N 0 0 439.538 -0.155 20 30 IBEDRN C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 ZINC001301534461 1073866572 /nfs/dbraw/zinc/86/65/72/1073866572.db2.gz BFKUHUMQRVXPCH-KXBFYZLASA-N 0 0 439.538 -0.155 20 30 IBEDRN C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCS(=O)(=O)N(C)C)C1 ZINC001301556098 1073866265 /nfs/dbraw/zinc/86/62/65/1073866265.db2.gz FWEYDMOVJYYCQY-CABCVRRESA-N 0 0 447.583 -0.147 20 30 IBEDRN C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCS(=O)(=O)N(C)C)C1 ZINC001301556103 1073866547 /nfs/dbraw/zinc/86/65/47/1073866547.db2.gz FWEYDMOVJYYCQY-GJZGRUSLSA-N 0 0 447.583 -0.147 20 30 IBEDRN C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCS(=O)(=O)N(C)C)C1 ZINC001301556105 1073866431 /nfs/dbraw/zinc/86/64/31/1073866431.db2.gz FWEYDMOVJYYCQY-HUUCEWRRSA-N 0 0 447.583 -0.147 20 30 IBEDRN C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCS(=O)(=O)N(C)C)C1 ZINC001301556107 1073866846 /nfs/dbraw/zinc/86/68/46/1073866846.db2.gz FWEYDMOVJYYCQY-LSDHHAIUSA-N 0 0 447.583 -0.147 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(c3nccc(N4CCOCC4)n3)CC2)C1=O ZINC001301559825 1073866991 /nfs/dbraw/zinc/86/69/91/1073866991.db2.gz XFUPTCIGMLMAAH-UHFFFAOYSA-N 0 0 442.476 -0.004 20 30 IBEDRN C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 ZINC001301566362 1073867053 /nfs/dbraw/zinc/86/70/53/1073867053.db2.gz MWGRXSOZQMGRJH-BEFAXECRSA-N 0 0 439.538 -0.269 20 30 IBEDRN C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@]2(O)CCS(=O)(=O)C2)C1 ZINC001301566364 1073867074 /nfs/dbraw/zinc/86/70/74/1073867074.db2.gz MWGRXSOZQMGRJH-DNVCBOLYSA-N 0 0 439.538 -0.269 20 30 IBEDRN C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@]2(O)CCS(=O)(=O)C2)C1 ZINC001301566367 1073867012 /nfs/dbraw/zinc/86/70/12/1073867012.db2.gz MWGRXSOZQMGRJH-HNAYVOBHSA-N 0 0 439.538 -0.269 20 30 IBEDRN C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 ZINC001301566369 1073866943 /nfs/dbraw/zinc/86/69/43/1073866943.db2.gz MWGRXSOZQMGRJH-KXBFYZLASA-N 0 0 439.538 -0.269 20 30 IBEDRN C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN2CCOC[C@@H]2C1 ZINC001301566927 1073866977 /nfs/dbraw/zinc/86/69/77/1073866977.db2.gz CLAZOZABZMGLNR-INIZCTEOSA-N 0 0 438.554 -0.364 20 30 IBEDRN C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN2CCOC[C@H]2C1 ZINC001301566928 1073867042 /nfs/dbraw/zinc/86/70/42/1073867042.db2.gz CLAZOZABZMGLNR-MRXNPFEDSA-N 0 0 438.554 -0.364 20 30 IBEDRN C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)NC)CC1 ZINC001301568547 1073866875 /nfs/dbraw/zinc/86/68/75/1073866875.db2.gz USPHVDIFHGFOSM-UHFFFAOYSA-N 0 0 427.531 -0.522 20 30 IBEDRN C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCS(=O)(=O)CC1 ZINC001301568721 1073866831 /nfs/dbraw/zinc/86/68/31/1073866831.db2.gz XDEVAOUHFPGGSH-UHFFFAOYSA-N 0 0 431.540 -0.650 20 30 IBEDRN C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)NC)CC1 ZINC001301568837 1073866823 /nfs/dbraw/zinc/86/68/23/1073866823.db2.gz YLPLVNYZMRHGKC-UHFFFAOYSA-N 0 0 426.543 -0.021 20 30 IBEDRN C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)N(C)C)CC1 ZINC001301578413 1073867628 /nfs/dbraw/zinc/86/76/28/1073867628.db2.gz ADHRJIMRZZNWSH-UHFFFAOYSA-N 0 0 448.553 -0.454 20 30 IBEDRN C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(S(C)(=O)=O)CC1 ZINC001301579488 1073867620 /nfs/dbraw/zinc/86/76/20/1073867620.db2.gz SOAGJHDGSURFFL-UHFFFAOYSA-N 0 0 428.540 -0.044 20 30 IBEDRN C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)NCC)CC1 ZINC001301585275 1073867514 /nfs/dbraw/zinc/86/75/14/1073867514.db2.gz KKOHCYJGYGMBSR-AWEZNQCLSA-N 0 0 439.542 -0.319 20 30 IBEDRN C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)NCC)CC1 ZINC001301585276 1073867471 /nfs/dbraw/zinc/86/74/71/1073867471.db2.gz KKOHCYJGYGMBSR-CQSZACIVSA-N 0 0 439.542 -0.319 20 30 IBEDRN C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001301585674 1073867609 /nfs/dbraw/zinc/86/76/09/1073867609.db2.gz DHJLUNFLEJOKQY-AWEZNQCLSA-N 0 0 445.567 -0.375 20 30 IBEDRN C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001301585680 1073867495 /nfs/dbraw/zinc/86/74/95/1073867495.db2.gz DHJLUNFLEJOKQY-CQSZACIVSA-N 0 0 445.567 -0.375 20 30 IBEDRN C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001301586251 1073867507 /nfs/dbraw/zinc/86/75/07/1073867507.db2.gz RFLIGVPRQDTHSH-CHWSQXEVSA-N 0 0 431.540 -0.547 20 30 IBEDRN C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001301586300 1073867581 /nfs/dbraw/zinc/86/75/81/1073867581.db2.gz RFLIGVPRQDTHSH-OLZOCXBDSA-N 0 0 431.540 -0.547 20 30 IBEDRN C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001301586304 1073867459 /nfs/dbraw/zinc/86/74/59/1073867459.db2.gz RFLIGVPRQDTHSH-QWHCGFSZSA-N 0 0 431.540 -0.547 20 30 IBEDRN C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001301586307 1073867598 /nfs/dbraw/zinc/86/75/98/1073867598.db2.gz RFLIGVPRQDTHSH-STQMWFEESA-N 0 0 431.540 -0.547 20 30 IBEDRN C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 ZINC001301587009 1073867573 /nfs/dbraw/zinc/86/75/73/1073867573.db2.gz WTLKMHGXDXLYFZ-KBPBESRZSA-N 0 0 437.526 -0.614 20 30 IBEDRN C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 ZINC001301587011 1073867537 /nfs/dbraw/zinc/86/75/37/1073867537.db2.gz WTLKMHGXDXLYFZ-KGLIPLIRSA-N 0 0 437.526 -0.614 20 30 IBEDRN C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 ZINC001301587012 1073867591 /nfs/dbraw/zinc/86/75/91/1073867591.db2.gz WTLKMHGXDXLYFZ-UONOGXRCSA-N 0 0 437.526 -0.614 20 30 IBEDRN C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 ZINC001301587014 1073867546 /nfs/dbraw/zinc/86/75/46/1073867546.db2.gz WTLKMHGXDXLYFZ-ZIAGYGMSSA-N 0 0 437.526 -0.614 20 30 IBEDRN C=CCS(=O)(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOCC1 ZINC001301587872 1073867480 /nfs/dbraw/zinc/86/74/80/1073867480.db2.gz AMOXFVIQXJDMLJ-AWEZNQCLSA-N 0 0 449.555 -0.952 20 30 IBEDRN C=CCS(=O)(=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOCC1 ZINC001301587882 1073867487 /nfs/dbraw/zinc/86/74/87/1073867487.db2.gz AMOXFVIQXJDMLJ-CQSZACIVSA-N 0 0 449.555 -0.952 20 30 IBEDRN C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 ZINC001301588230 1073867527 /nfs/dbraw/zinc/86/75/27/1073867527.db2.gz DMHYXJIUDRMPLO-HNNXBMFYSA-N 0 0 449.537 -0.031 20 30 IBEDRN C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 ZINC001301588233 1073867447 /nfs/dbraw/zinc/86/74/47/1073867447.db2.gz DMHYXJIUDRMPLO-OAHLLOKOSA-N 0 0 449.537 -0.031 20 30 IBEDRN C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCNC(=O)[C@@H]1CC ZINC001301588972 1073867561 /nfs/dbraw/zinc/86/75/61/1073867561.db2.gz NAUMFZQMSSYUTC-KBPBESRZSA-N 0 0 445.567 -0.504 20 30 IBEDRN C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCNC(=O)[C@@H]1CC ZINC001301588973 1073867971 /nfs/dbraw/zinc/86/79/71/1073867971.db2.gz NAUMFZQMSSYUTC-KGLIPLIRSA-N 0 0 445.567 -0.504 20 30 IBEDRN C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCNC(=O)[C@H]1CC ZINC001301588974 1073867963 /nfs/dbraw/zinc/86/79/63/1073867963.db2.gz NAUMFZQMSSYUTC-UONOGXRCSA-N 0 0 445.567 -0.504 20 30 IBEDRN C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCNC(=O)[C@H]1CC ZINC001301588975 1073868089 /nfs/dbraw/zinc/86/80/89/1073868089.db2.gz NAUMFZQMSSYUTC-ZIAGYGMSSA-N 0 0 445.567 -0.504 20 30 IBEDRN C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(S(C)(=O)=O)CC1 ZINC001301589169 1073868115 /nfs/dbraw/zinc/86/81/15/1073868115.db2.gz OMPGDYJGNBAMMP-AWEZNQCLSA-N 0 0 433.556 -0.536 20 30 IBEDRN C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(S(C)(=O)=O)CC1 ZINC001301589170 1073868105 /nfs/dbraw/zinc/86/81/05/1073868105.db2.gz OMPGDYJGNBAMMP-CQSZACIVSA-N 0 0 433.556 -0.536 20 30 IBEDRN C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 ZINC001301589210 1073868096 /nfs/dbraw/zinc/86/80/96/1073868096.db2.gz PFXFTWYSCXWYIC-CABCVRRESA-N 0 0 447.583 -0.099 20 30 IBEDRN C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 ZINC001301589211 1073867992 /nfs/dbraw/zinc/86/79/92/1073867992.db2.gz PFXFTWYSCXWYIC-GJZGRUSLSA-N 0 0 447.583 -0.099 20 30 IBEDRN C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 ZINC001301589212 1073868026 /nfs/dbraw/zinc/86/80/26/1073868026.db2.gz PFXFTWYSCXWYIC-HUUCEWRRSA-N 0 0 447.583 -0.099 20 30 IBEDRN C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 ZINC001301589213 1073867984 /nfs/dbraw/zinc/86/79/84/1073867984.db2.gz PFXFTWYSCXWYIC-LSDHHAIUSA-N 0 0 447.583 -0.099 20 30 IBEDRN C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C)[C@@H](O)C1 ZINC001301589818 1073867913 /nfs/dbraw/zinc/86/79/13/1073867913.db2.gz XUHSPPAZOGRRFC-ILXRZTDVSA-N 0 0 432.568 -0.012 20 30 IBEDRN C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C)[C@@H](O)C1 ZINC001301589819 1073868132 /nfs/dbraw/zinc/86/81/32/1073868132.db2.gz XUHSPPAZOGRRFC-KFWWJZLASA-N 0 0 432.568 -0.012 20 30 IBEDRN C=CCS(=O)(=O)CCn1c(N2CCNC(=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001301596308 1073867923 /nfs/dbraw/zinc/86/79/23/1073867923.db2.gz LALVFTMHGMWNGI-GOSISDBHSA-N 0 0 427.527 -0.144 20 30 IBEDRN C=CCS(=O)(=O)CCn1c(N2CCNC(=O)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001301596309 1073868001 /nfs/dbraw/zinc/86/80/01/1073868001.db2.gz LALVFTMHGMWNGI-SFHVURJKSA-N 0 0 427.527 -0.144 20 30 IBEDRN COCCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1CCN1CCCS1(=O)=O ZINC001301806706 1073876697 /nfs/dbraw/zinc/87/66/97/1073876697.db2.gz QRTWJRMIPMCBOY-AWEZNQCLSA-N 0 0 425.515 -0.369 20 30 IBEDRN COCCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1CCN1CCCS1(=O)=O ZINC001301806707 1073876791 /nfs/dbraw/zinc/87/67/91/1073876791.db2.gz QRTWJRMIPMCBOY-CQSZACIVSA-N 0 0 425.515 -0.369 20 30 IBEDRN COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCS(=O)(=O)C1 ZINC001301809519 1073876612 /nfs/dbraw/zinc/87/66/12/1073876612.db2.gz NTKYFVVUJASKIV-CABCVRRESA-N 0 0 445.567 -0.019 20 30 IBEDRN COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCS(=O)(=O)C1 ZINC001301809523 1073876581 /nfs/dbraw/zinc/87/65/81/1073876581.db2.gz NTKYFVVUJASKIV-GJZGRUSLSA-N 0 0 445.567 -0.019 20 30 IBEDRN COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCS(=O)(=O)C1 ZINC001301809525 1073876781 /nfs/dbraw/zinc/87/67/81/1073876781.db2.gz NTKYFVVUJASKIV-HUUCEWRRSA-N 0 0 445.567 -0.019 20 30 IBEDRN COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCS(=O)(=O)C1 ZINC001301809527 1073876799 /nfs/dbraw/zinc/87/67/99/1073876799.db2.gz NTKYFVVUJASKIV-LSDHHAIUSA-N 0 0 445.567 -0.019 20 30 IBEDRN CC(=O)NCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C#N ZINC001301932383 1073886258 /nfs/dbraw/zinc/88/62/58/1073886258.db2.gz PUPQZTRFRIRXCR-DZGCQCFKSA-N 0 0 427.531 -0.267 20 30 IBEDRN CC(=O)NCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N ZINC001301932384 1073886854 /nfs/dbraw/zinc/88/68/54/1073886854.db2.gz PUPQZTRFRIRXCR-HIFRSBDPSA-N 0 0 427.531 -0.267 20 30 IBEDRN CC(=O)NCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N ZINC001301932385 1073886877 /nfs/dbraw/zinc/88/68/77/1073886877.db2.gz PUPQZTRFRIRXCR-UKRRQHHQSA-N 0 0 427.531 -0.267 20 30 IBEDRN CC(=O)NCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C#N ZINC001301932386 1073886865 /nfs/dbraw/zinc/88/68/65/1073886865.db2.gz PUPQZTRFRIRXCR-ZFWWWQNUSA-N 0 0 427.531 -0.267 20 30 IBEDRN CN(C)S(=O)(=O)N1CC(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1 ZINC001301961494 1073887802 /nfs/dbraw/zinc/88/78/02/1073887802.db2.gz DFWXIGFHHKGNRA-UHFFFAOYSA-N 0 0 429.524 -0.888 20 30 IBEDRN CS(=O)(=O)NC[C@@H]1COCCN1C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 ZINC001301986595 1073889199 /nfs/dbraw/zinc/88/91/99/1073889199.db2.gz NWBWUHRJSIWSBK-CYBMUJFWSA-N 0 0 444.535 -0.718 20 30 IBEDRN CS(=O)(=O)NC[C@H]1COCCN1C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 ZINC001301986598 1073889293 /nfs/dbraw/zinc/88/92/93/1073889293.db2.gz NWBWUHRJSIWSBK-ZDUSSCGKSA-N 0 0 444.535 -0.718 20 30 IBEDRN COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCN1CCN(C(C)=O)CC1 ZINC001302100461 1073892579 /nfs/dbraw/zinc/89/25/79/1073892579.db2.gz YXSBOQUPLWRNRD-AEFFLSMTSA-N 0 0 435.529 -0.105 20 30 IBEDRN COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCN1CCN(C(C)=O)CC1 ZINC001302100462 1073892505 /nfs/dbraw/zinc/89/25/05/1073892505.db2.gz YXSBOQUPLWRNRD-FUHWJXTLSA-N 0 0 435.529 -0.105 20 30 IBEDRN COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCN1CCN(C(C)=O)CC1 ZINC001302100463 1073892608 /nfs/dbraw/zinc/89/26/08/1073892608.db2.gz YXSBOQUPLWRNRD-SJLPKXTDSA-N 0 0 435.529 -0.105 20 30 IBEDRN COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCN1CCN(C(C)=O)CC1 ZINC001302100464 1073892624 /nfs/dbraw/zinc/89/26/24/1073892624.db2.gz YXSBOQUPLWRNRD-WMZOPIPTSA-N 0 0 435.529 -0.105 20 30 IBEDRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCCNS(C)(=O)=O ZINC001302311227 1073898346 /nfs/dbraw/zinc/89/83/46/1073898346.db2.gz JVGCATDCUISURI-KKUMJFAQSA-N 0 0 428.515 -0.330 20 30 IBEDRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCCNS(C)(=O)=O ZINC001302311228 1073898792 /nfs/dbraw/zinc/89/87/92/1073898792.db2.gz JVGCATDCUISURI-ZNMIVQPWSA-N 0 0 428.515 -0.330 20 30 IBEDRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCC(=O)N1CCOCC1 ZINC001302311560 1073898867 /nfs/dbraw/zinc/89/88/67/1073898867.db2.gz NLCUIRUBVKKVDY-BQFCYCMXSA-N 0 0 434.497 -0.020 20 30 IBEDRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCC(=O)N1CCOCC1 ZINC001302311561 1073898918 /nfs/dbraw/zinc/89/89/18/1073898918.db2.gz NLCUIRUBVKKVDY-JZXOWHBKSA-N 0 0 434.497 -0.020 20 30 IBEDRN CS(=O)(=O)C1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)CC1 ZINC001302426736 1073902224 /nfs/dbraw/zinc/90/22/24/1073902224.db2.gz DTIQJDVQMYCTJB-CHWSQXEVSA-N 0 0 429.524 -0.514 20 30 IBEDRN CS(=O)(=O)C1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)CC1 ZINC001302426737 1073902320 /nfs/dbraw/zinc/90/23/20/1073902320.db2.gz DTIQJDVQMYCTJB-OLZOCXBDSA-N 0 0 429.524 -0.514 20 30 IBEDRN CS(=O)(=O)C1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)CC1 ZINC001302426738 1073902410 /nfs/dbraw/zinc/90/24/10/1073902410.db2.gz DTIQJDVQMYCTJB-QWHCGFSZSA-N 0 0 429.524 -0.514 20 30 IBEDRN CS(=O)(=O)C1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)CC1 ZINC001302426739 1073902333 /nfs/dbraw/zinc/90/23/33/1073902333.db2.gz DTIQJDVQMYCTJB-STQMWFEESA-N 0 0 429.524 -0.514 20 30 IBEDRN CS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 ZINC001302465458 1073905956 /nfs/dbraw/zinc/90/59/56/1073905956.db2.gz RSZSBGPLJUCSTP-DZGCQCFKSA-N 0 0 442.567 -0.599 20 30 IBEDRN CS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 ZINC001302465459 1073905876 /nfs/dbraw/zinc/90/58/76/1073905876.db2.gz RSZSBGPLJUCSTP-HIFRSBDPSA-N 0 0 442.567 -0.599 20 30 IBEDRN CS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 ZINC001302465460 1073906021 /nfs/dbraw/zinc/90/60/21/1073906021.db2.gz RSZSBGPLJUCSTP-UKRRQHHQSA-N 0 0 442.567 -0.599 20 30 IBEDRN CS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 ZINC001302465461 1073906559 /nfs/dbraw/zinc/90/65/59/1073906559.db2.gz RSZSBGPLJUCSTP-ZFWWWQNUSA-N 0 0 442.567 -0.599 20 30 IBEDRN CS(=O)(=O)N1CCN(c2nnc(CC3CC3)n2CCNC(=O)C2N=CC=CC2=O)CC1 ZINC001302480393 1073910056 /nfs/dbraw/zinc/91/00/56/1073910056.db2.gz RPVFFFBBTJUUPK-ISLYRVAYSA-N 0 0 449.537 -0.161 20 30 IBEDRN CS(=O)(=O)N1CCN(c2nnc(CC3CC3)n2CCNC(=O)C2N=CC=CC2=O)CC1 ZINC001302480394 1073910177 /nfs/dbraw/zinc/91/01/77/1073910177.db2.gz RPVFFFBBTJUUPK-ZCXUNETKSA-N 0 0 449.537 -0.161 20 30 IBEDRN CS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)NC[C@H]2C1 ZINC001302495520 1073912165 /nfs/dbraw/zinc/91/21/65/1073912165.db2.gz HJLVDVZVBGRYQC-HNNXBMFYSA-N 0 0 430.494 -0.420 20 30 IBEDRN CS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 ZINC001302495532 1073912354 /nfs/dbraw/zinc/91/23/54/1073912354.db2.gz HJLVDVZVBGRYQC-OAHLLOKOSA-N 0 0 430.494 -0.420 20 30 IBEDRN CS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 ZINC001302496501 1073912852 /nfs/dbraw/zinc/91/28/52/1073912852.db2.gz NZZKWWIDROTSJQ-HNNXBMFYSA-N 0 0 430.494 -0.420 20 30 IBEDRN CS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 ZINC001302496503 1073912705 /nfs/dbraw/zinc/91/27/05/1073912705.db2.gz NZZKWWIDROTSJQ-OAHLLOKOSA-N 0 0 430.494 -0.420 20 30 IBEDRN CS(=O)(=O)NCCn1c(Cc2ccccn2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 ZINC001302500777 1073914022 /nfs/dbraw/zinc/91/40/22/1073914022.db2.gz LBUDDPDSPDJKPF-KRWDZBQOSA-N 0 0 430.538 -0.010 20 30 IBEDRN CS(=O)(=O)NCCn1c(Cc2ccccn2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 ZINC001302500784 1073913902 /nfs/dbraw/zinc/91/39/02/1073913902.db2.gz LBUDDPDSPDJKPF-QGZVFWFLSA-N 0 0 430.538 -0.010 20 30 IBEDRN CS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2OCO[C@H]2C1 ZINC001302506060 1073915193 /nfs/dbraw/zinc/91/51/93/1073915193.db2.gz MXZSNRKLHGSEAR-IYBDPMFKSA-N 0 0 434.478 -0.161 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)CN2C(=S)N=NC2c2cccs2)CC1 ZINC001302921250 1073921475 /nfs/dbraw/zinc/92/14/75/1073921475.db2.gz ACENENPVWYTKIZ-UHFFFAOYSA-N 0 0 426.549 -0.093 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)CCS(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC001302921299 1073921434 /nfs/dbraw/zinc/92/14/34/1073921434.db2.gz BRWCSUPBSKXYCK-UHFFFAOYSA-N 0 0 439.559 -0.049 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N(C)C)c2)CC1 ZINC001302921337 1073921447 /nfs/dbraw/zinc/92/14/47/1073921447.db2.gz DBRWPKWTNYULAH-UHFFFAOYSA-N 0 0 448.954 -0.184 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)Cc2c(C)nc(-c3ccncc3)[nH]c2=O)CC1 ZINC001302921457 1073921501 /nfs/dbraw/zinc/92/15/01/1073921501.db2.gz FEBMZDDJRQAIFQ-UHFFFAOYSA-N 0 0 430.490 -0.705 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)C=Cc2cc3cnn(C(C)C)c3[nH]c2=O)CC1 ZINC001302921479 1073921468 /nfs/dbraw/zinc/92/14/68/1073921468.db2.gz GODPIRRWBLTFCD-AATRIKPKSA-N 0 0 432.506 -0.070 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)C=Cc2cc3cnn(C(C)C)c3[nH]c2=O)CC1 ZINC001302921480 1073922071 /nfs/dbraw/zinc/92/20/71/1073922071.db2.gz GODPIRRWBLTFCD-WAYWQWQTSA-N 0 0 432.506 -0.070 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)CC1 ZINC001302921519 1073922009 /nfs/dbraw/zinc/92/20/09/1073922009.db2.gz IILZPAROAQGUSM-UHFFFAOYSA-N 0 0 442.563 -0.058 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(C)=O)CC1 ZINC001302921615 1073922129 /nfs/dbraw/zinc/92/21/29/1073922129.db2.gz MTGSLNCIBAZJTR-IBGZPJMESA-N 0 0 431.518 -0.173 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(C)=O)CC1 ZINC001302921616 1073922103 /nfs/dbraw/zinc/92/21/03/1073922103.db2.gz MTGSLNCIBAZJTR-LJQANCHMSA-N 0 0 431.518 -0.173 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C)cc2)CC1 ZINC001302921704 1073922056 /nfs/dbraw/zinc/92/20/56/1073922056.db2.gz QAMIXMXUNYELNB-HNNXBMFYSA-N 0 0 428.536 -0.726 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(NC(C)=O)cc3)C2)CC1 ZINC001302921742 1073921990 /nfs/dbraw/zinc/92/19/90/1073921990.db2.gz RMKAAYBTFPUFTQ-INIZCTEOSA-N 0 0 447.517 -0.390 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(NC(C)=O)cc3)C2)CC1 ZINC001302921743 1073922112 /nfs/dbraw/zinc/92/21/12/1073922112.db2.gz RMKAAYBTFPUFTQ-MRXNPFEDSA-N 0 0 447.517 -0.390 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)C2(CC(=O)N3CCOCC3)CCCC2)CC1 ZINC001302921754 1073921945 /nfs/dbraw/zinc/92/19/45/1073921945.db2.gz RXHDSLXGJSIYRG-UHFFFAOYSA-N 0 0 426.539 -0.593 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)c2[nH]nc(C)c2I)CC1 ZINC001302923654 1073922029 /nfs/dbraw/zinc/92/20/29/1073922029.db2.gz CBXSWZYIYNXAMQ-UHFFFAOYSA-N 0 0 437.263 -0.452 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2c3c[nH]nc3CN2C(=O)OC(C)(C)C)CC1 ZINC001302923702 1073922018 /nfs/dbraw/zinc/92/20/18/1073922018.db2.gz CYIHJXSPOGVZJL-HNNXBMFYSA-N 0 0 438.510 -0.187 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2c3c[nH]nc3CN2C(=O)OC(C)(C)C)CC1 ZINC001302923705 1073922120 /nfs/dbraw/zinc/92/21/20/1073922120.db2.gz CYIHJXSPOGVZJL-OAHLLOKOSA-N 0 0 438.510 -0.187 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)C[C@H]2CN(C(=O)OC(C)(C)C)CCO2)CC1 ZINC001302923974 1073922078 /nfs/dbraw/zinc/92/20/78/1073922078.db2.gz GZBSYZFCLVXZMX-HNNXBMFYSA-N 0 0 430.527 -0.376 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)CC1 ZINC001302923976 1073921999 /nfs/dbraw/zinc/92/19/99/1073921999.db2.gz GZBSYZFCLVXZMX-OAHLLOKOSA-N 0 0 430.527 -0.376 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](C)N2CCN(c3ccc(F)cc3)CC2)CC1 ZINC001302924014 1073921965 /nfs/dbraw/zinc/92/19/65/1073921965.db2.gz HNDSBELUAPQTDC-KRWDZBQOSA-N 0 0 437.541 -0.052 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](C)N2CCN(c3ccc(F)cc3)CC2)CC1 ZINC001302924016 1073922042 /nfs/dbraw/zinc/92/20/42/1073922042.db2.gz HNDSBELUAPQTDC-QGZVFWFLSA-N 0 0 437.541 -0.052 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](CCS(C)(=O)=O)c2ccccc2)CC1 ZINC001302924040 1073921954 /nfs/dbraw/zinc/92/19/54/1073921954.db2.gz HVFDYAFXLDSYAL-KRWDZBQOSA-N 0 0 427.548 -0.183 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](CCS(C)(=O)=O)c2ccccc2)CC1 ZINC001302924042 1073922066 /nfs/dbraw/zinc/92/20/66/1073922066.db2.gz HVFDYAFXLDSYAL-QGZVFWFLSA-N 0 0 427.548 -0.183 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)c2cn(CCNC(=O)OC(C)(C)C)nn2)CC1 ZINC001302924366 1073922581 /nfs/dbraw/zinc/92/25/81/1073922581.db2.gz LCDUTGGEKNACJW-UHFFFAOYSA-N 0 0 441.514 -0.972 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(CNS(=O)(=O)CC)cc2)CC1 ZINC001302924511 1073922603 /nfs/dbraw/zinc/92/26/03/1073922603.db2.gz ODQMBMVVEWTYIL-UHFFFAOYSA-N 0 0 428.536 -0.649 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)CC1 ZINC001302924605 1073922597 /nfs/dbraw/zinc/92/25/97/1073922597.db2.gz PRSJBESUIPJIGL-UHFFFAOYSA-N 0 0 439.519 -0.978 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(C(=O)OC)nn2-c2ccccc2)CC1 ZINC001302924627 1073922631 /nfs/dbraw/zinc/92/26/31/1073922631.db2.gz PZLGCCLPHOWTRA-UHFFFAOYSA-N 0 0 431.474 -0.116 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)[C@@]2(C)C[C@H](O)CN2C(=O)OC(C)(C)C)CC1 ZINC001302924670 1073922586 /nfs/dbraw/zinc/92/25/86/1073922586.db2.gz QPMPLBMSUUIOKF-KBXCAEBGSA-N 0 0 430.527 -0.641 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)[C@]2(C)C[C@@H](O)CN2C(=O)OC(C)(C)C)CC1 ZINC001302924672 1073922628 /nfs/dbraw/zinc/92/26/28/1073922628.db2.gz QPMPLBMSUUIOKF-KDOFPFPSSA-N 0 0 430.527 -0.641 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)[C@]2(C)C[C@H](O)CN2C(=O)OC(C)(C)C)CC1 ZINC001302924673 1073922617 /nfs/dbraw/zinc/92/26/17/1073922617.db2.gz QPMPLBMSUUIOKF-KSSFIOAISA-N 0 0 430.527 -0.641 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)[C@@]2(C)C[C@@H](O)CN2C(=O)OC(C)(C)C)CC1 ZINC001302924674 1073922565 /nfs/dbraw/zinc/92/25/65/1073922565.db2.gz QPMPLBMSUUIOKF-RDTXWAMCSA-N 0 0 430.527 -0.641 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CCCN(C(=O)COc3ccccc3)C2)CC1 ZINC001302925105 1073922568 /nfs/dbraw/zinc/92/25/68/1073922568.db2.gz WPKKWVQQUDJWOW-GOSISDBHSA-N 0 0 448.545 -0.084 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2CCCN(C(=O)COc3ccccc3)C2)CC1 ZINC001302925106 1073922577 /nfs/dbraw/zinc/92/25/77/1073922577.db2.gz WPKKWVQQUDJWOW-SFHVURJKSA-N 0 0 448.545 -0.084 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)CN2Cc3c(cnn3-c3ccccc3)C2=O)CC1 ZINC001302925112 1073922607 /nfs/dbraw/zinc/92/26/07/1073922607.db2.gz XDWDOSADQVKMOD-UHFFFAOYSA-N 0 0 442.501 -0.560 20 30 IBEDRN N#C[C@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(=O)N2CCOCC2)C1 ZINC001302978055 1073923172 /nfs/dbraw/zinc/92/31/72/1073923172.db2.gz GMHVAJNVHXNVGN-CXAGYDPISA-N 0 0 426.474 -0.519 20 30 IBEDRN N#C[C@@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(=O)N2CCOCC2)C1 ZINC001302978060 1073923137 /nfs/dbraw/zinc/92/31/37/1073923137.db2.gz GMHVAJNVHXNVGN-DYVFJYSZSA-N 0 0 426.474 -0.519 20 30 IBEDRN N#C[C@@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(=O)N2CCOCC2)C1 ZINC001302978062 1073923088 /nfs/dbraw/zinc/92/30/88/1073923088.db2.gz GMHVAJNVHXNVGN-GUYCJALGSA-N 0 0 426.474 -0.519 20 30 IBEDRN N#C[C@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(=O)N2CCOCC2)C1 ZINC001302978064 1073923844 /nfs/dbraw/zinc/92/38/44/1073923844.db2.gz GMHVAJNVHXNVGN-SUMWQHHRSA-N 0 0 426.474 -0.519 20 30 IBEDRN CN1CCn2c(CCNC(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)nnc2C1=O ZINC001303246133 1073930419 /nfs/dbraw/zinc/93/04/19/1073930419.db2.gz UBQKKKRDKTYQKI-UHFFFAOYSA-N 0 0 431.478 -0.849 20 30 IBEDRN CC(C)NC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001303447062 1073940025 /nfs/dbraw/zinc/94/00/25/1073940025.db2.gz BVBPYWBHXIGWAD-INIZCTEOSA-N 0 0 436.476 -0.512 20 30 IBEDRN CC(C)NC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001303447064 1073940683 /nfs/dbraw/zinc/94/06/83/1073940683.db2.gz BVBPYWBHXIGWAD-MRXNPFEDSA-N 0 0 436.476 -0.512 20 30 IBEDRN C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1COCCO1 ZINC001303639714 1073945785 /nfs/dbraw/zinc/94/57/85/1073945785.db2.gz GFQPKVOTHVXJHS-KFWWJZLASA-N 0 0 428.515 -0.235 20 30 IBEDRN C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1COCCO1 ZINC001303639724 1073945675 /nfs/dbraw/zinc/94/56/75/1073945675.db2.gz GFQPKVOTHVXJHS-RBSFLKMASA-N 0 0 428.515 -0.235 20 30 IBEDRN C[C@@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1COCCO1 ZINC001303639727 1073945857 /nfs/dbraw/zinc/94/58/57/1073945857.db2.gz GFQPKVOTHVXJHS-RRFJBIMHSA-N 0 0 428.515 -0.235 20 30 IBEDRN C[C@@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1COCCO1 ZINC001303639732 1073945851 /nfs/dbraw/zinc/94/58/51/1073945851.db2.gz GFQPKVOTHVXJHS-ZNMIVQPWSA-N 0 0 428.515 -0.235 20 30 IBEDRN C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(O)CCOC1 ZINC001303640882 1073945793 /nfs/dbraw/zinc/94/57/93/1073945793.db2.gz OMIXHHJZTHWTMO-CKEIUWERSA-N 0 0 428.515 -0.499 20 30 IBEDRN C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(O)CCOC1 ZINC001303640883 1073945753 /nfs/dbraw/zinc/94/57/53/1073945753.db2.gz OMIXHHJZTHWTMO-CPUCHLNUSA-N 0 0 428.515 -0.499 20 30 IBEDRN C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(O)CCOC1 ZINC001303640884 1073945656 /nfs/dbraw/zinc/94/56/56/1073945656.db2.gz OMIXHHJZTHWTMO-JKIFEVAISA-N 0 0 428.515 -0.499 20 30 IBEDRN C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(O)CCOC1 ZINC001303640885 1073945861 /nfs/dbraw/zinc/94/58/61/1073945861.db2.gz OMIXHHJZTHWTMO-KEYYUXOJSA-N 0 0 428.515 -0.499 20 30 IBEDRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1([S@@](C)=O)CCC1 ZINC001303867035 1073959286 /nfs/dbraw/zinc/95/92/86/1073959286.db2.gz NFFRFLRHQNUGKM-BBFKWACYSA-N 0 0 430.556 -0.082 20 30 IBEDRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CC1([S@@](C)=O)CCC1 ZINC001303867036 1073959246 /nfs/dbraw/zinc/95/92/46/1073959246.db2.gz NFFRFLRHQNUGKM-HWOJOUQTSA-N 0 0 430.556 -0.082 20 30 IBEDRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CC1([S@](C)=O)CCC1 ZINC001303867037 1073959254 /nfs/dbraw/zinc/95/92/54/1073959254.db2.gz NFFRFLRHQNUGKM-MYXHWSLCSA-N 0 0 430.556 -0.082 20 30 IBEDRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1([S@](C)=O)CCC1 ZINC001303867038 1073959215 /nfs/dbraw/zinc/95/92/15/1073959215.db2.gz NFFRFLRHQNUGKM-UYZZBQRDSA-N 0 0 430.556 -0.082 20 30 IBEDRN C[C@@]1(C#N)CN(C(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccccc2)CCO1 ZINC001304193007 1073967564 /nfs/dbraw/zinc/96/75/64/1073967564.db2.gz LVYLZBSLBMIFBR-DOTOQJQBSA-N 0 0 429.520 -0.091 20 30 IBEDRN C[C@@]1(C#N)CN(C(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccccc2)CCO1 ZINC001304193008 1073967597 /nfs/dbraw/zinc/96/75/97/1073967597.db2.gz LVYLZBSLBMIFBR-NVXWUHKLSA-N 0 0 429.520 -0.091 20 30 IBEDRN C[C@]1(C#N)CN(C(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccccc2)CCO1 ZINC001304193009 1073968166 /nfs/dbraw/zinc/96/81/66/1073968166.db2.gz LVYLZBSLBMIFBR-RDJZCZTQSA-N 0 0 429.520 -0.091 20 30 IBEDRN C[C@]1(C#N)CN(C(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccccc2)CCO1 ZINC001304193010 1073968002 /nfs/dbraw/zinc/96/80/02/1073968002.db2.gz LVYLZBSLBMIFBR-WBVHZDCISA-N 0 0 429.520 -0.091 20 30 IBEDRN CN1C[C@H](C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)N(C(=O)OC(C)(C)C)CC1=O ZINC001304272317 1073969306 /nfs/dbraw/zinc/96/93/06/1073969306.db2.gz RNYBSKURHTWKSK-VEVIJQCQSA-N 0 0 426.495 -0.539 20 30 IBEDRN CN1C[C@@H](C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)N(C(=O)OC(C)(C)C)CC1=O ZINC001304272319 1073969284 /nfs/dbraw/zinc/96/92/84/1073969284.db2.gz RNYBSKURHTWKSK-ZJNRKIDTSA-N 0 0 426.495 -0.539 20 30 IBEDRN N#C[C@]12CN(C(=O)c3cc(S(=O)(=O)N4CCSCC4)c[nH]3)C[C@H]1CS(=O)(=O)C2 ZINC001304272940 1073969205 /nfs/dbraw/zinc/96/92/05/1073969205.db2.gz UHAOXHLLPHSQHO-BLLLJJGKSA-N 0 0 444.560 -0.237 20 30 IBEDRN Cc1nn(C)c(N2CCN(c3nnc(C)n3CCN3CCCS3(=O)=O)CC2)c1C#N ZINC001304730923 1073973765 /nfs/dbraw/zinc/97/37/65/1073973765.db2.gz JZTOCYHTUJIIGN-UHFFFAOYSA-N 0 0 433.542 -0.138 20 30 IBEDRN Cc1nn(C)c(N2CCN(c3nnc(C4CC4)n3CCNS(C)(=O)=O)CC2)c1C#N ZINC001304731992 1073973741 /nfs/dbraw/zinc/97/37/41/1073973741.db2.gz UMGBNRVZALUFMW-UHFFFAOYSA-N 0 0 433.542 -0.055 20 30 IBEDRN Cc1nnc(N2CCN([C@@H](C)C(=O)NC3CC3)CC2)n1CCNC(=O)C1N=CC=CC1=O ZINC001304850075 1073976366 /nfs/dbraw/zinc/97/63/66/1073976366.db2.gz AUJGTYWSQXSRIN-AOMYARPXSA-N 0 0 442.524 -0.098 20 30 IBEDRN Cc1nnc(N2CCN([C@@H](C)C(=O)NC3CC3)CC2)n1CCNC(=O)C1N=CC=CC1=O ZINC001304850076 1073976288 /nfs/dbraw/zinc/97/62/88/1073976288.db2.gz AUJGTYWSQXSRIN-DPHDRGAJSA-N 0 0 442.524 -0.098 20 30 IBEDRN Cc1nnc(N2CCN([C@H](C)C(=O)NC3CC3)CC2)n1CCNC(=O)C1N=CC=CC1=O ZINC001304850077 1073976299 /nfs/dbraw/zinc/97/62/99/1073976299.db2.gz AUJGTYWSQXSRIN-ITZAQCPESA-N 0 0 442.524 -0.098 20 30 IBEDRN Cc1nnc(N2CCN([C@H](C)C(=O)NC3CC3)CC2)n1CCNC(=O)C1N=CC=CC1=O ZINC001304850078 1073976352 /nfs/dbraw/zinc/97/63/52/1073976352.db2.gz AUJGTYWSQXSRIN-NXHAUGRDSA-N 0 0 442.524 -0.098 20 30 IBEDRN C#CCOCCNC(=O)C1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC001306821916 1073997708 /nfs/dbraw/zinc/99/77/08/1073997708.db2.gz QBNVJQBBEYVTPQ-UHFFFAOYSA-N 0 0 429.520 -0.499 20 30 IBEDRN C#CCN1CCN(C(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc2C(N)=O)CC1 ZINC001307270638 1073999497 /nfs/dbraw/zinc/99/94/97/1073999497.db2.gz AOHPAZQQDRRBAB-UHFFFAOYSA-N 0 0 434.518 -0.274 20 30 IBEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Cn2cnc3c(c2=O)COCC3)CC1 ZINC001307366774 1074000029 /nfs/dbraw/zinc/00/00/29/1074000029.db2.gz ZLLOQWHJKMWOGI-UHFFFAOYSA-N 0 0 443.485 -0.279 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(CCC(=O)Nc2ccccc2C(=O)NC2CC2)CC1 ZINC001307649247 1074001838 /nfs/dbraw/zinc/00/18/38/1074001838.db2.gz BJCVKXILQCJABW-UHFFFAOYSA-N 0 0 433.534 -0.007 20 30 IBEDRN N#CCC(=O)N1CCN(CC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)CC1 ZINC001307777646 1074001996 /nfs/dbraw/zinc/00/19/96/1074001996.db2.gz HYRAXZHZZFOJOS-UHFFFAOYSA-N 0 0 435.506 -0.296 20 30 IBEDRN N#CCC(=O)N1CCN(CC(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)CC1 ZINC001307778256 1074002176 /nfs/dbraw/zinc/00/21/76/1074002176.db2.gz LOEYDUHGWUSYJR-UHFFFAOYSA-N 0 0 449.533 -0.618 20 30 IBEDRN N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCS(=O)(=O)C[C@H]2CCO)CC1 ZINC001308095262 1074006710 /nfs/dbraw/zinc/00/67/10/1074006710.db2.gz ZSJACVUNIUVCAF-CVEARBPZSA-N 0 0 426.564 -0.062 20 30 IBEDRN N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCS(=O)(=O)C[C@@H]2CCO)CC1 ZINC001308095263 1074006846 /nfs/dbraw/zinc/00/68/46/1074006846.db2.gz ZSJACVUNIUVCAF-HOTGVXAUSA-N 0 0 426.564 -0.062 20 30 IBEDRN N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCS(=O)(=O)C[C@H]2CCO)CC1 ZINC001308095264 1074006901 /nfs/dbraw/zinc/00/69/01/1074006901.db2.gz ZSJACVUNIUVCAF-HZPDHXFCSA-N 0 0 426.564 -0.062 20 30 IBEDRN N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCS(=O)(=O)C[C@@H]2CCO)CC1 ZINC001308095265 1074006810 /nfs/dbraw/zinc/00/68/10/1074006810.db2.gz ZSJACVUNIUVCAF-JKSUJKDBSA-N 0 0 426.564 -0.062 20 30 IBEDRN N#C[C@@]12CN(CC(=O)NCc3ccc(C(=O)N4CCOCC4)cc3)C[C@H]1CS(=O)(=O)C2 ZINC001308098895 1074007335 /nfs/dbraw/zinc/00/73/35/1074007335.db2.gz ALHGARVRAJVWFR-RXVVDRJESA-N 0 0 446.529 -0.355 20 30 IBEDRN CNS(=O)(=O)c1cc(NC(=O)CN2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)ccc1C ZINC001308100335 1074007295 /nfs/dbraw/zinc/00/72/95/1074007295.db2.gz MZOXXABNEYXZGW-GUYCJALGSA-N 0 0 426.520 -0.288 20 30 IBEDRN N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCN3CCOC[C@]3(CO)C2)CC1 ZINC001308110403 1074007530 /nfs/dbraw/zinc/00/75/30/1074007530.db2.gz JUGMEGYGCPTRQD-IFMALSPDSA-N 0 0 431.512 -0.087 20 30 IBEDRN N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCN3CCOC[C@@]3(CO)C2)CC1 ZINC001308110406 1074007819 /nfs/dbraw/zinc/00/78/19/1074007819.db2.gz JUGMEGYGCPTRQD-IRLDBZIGSA-N 0 0 431.512 -0.087 20 30 IBEDRN N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCN3CCOC[C@]3(CO)C2)CC1 ZINC001308110408 1074007784 /nfs/dbraw/zinc/00/77/84/1074007784.db2.gz JUGMEGYGCPTRQD-RBBKRZOGSA-N 0 0 431.512 -0.087 20 30 IBEDRN N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCN3CCOC[C@@]3(CO)C2)CC1 ZINC001308110410 1074007754 /nfs/dbraw/zinc/00/77/54/1074007754.db2.gz JUGMEGYGCPTRQD-UNMCSNQZSA-N 0 0 431.512 -0.087 20 30 IBEDRN CS(=O)(=O)N1CC(CS(=O)(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)C1 ZINC001309027596 1074009091 /nfs/dbraw/zinc/00/90/91/1074009091.db2.gz RUCOIIOHBRTLGG-UHFFFAOYSA-N 0 0 429.524 -0.233 20 30 IBEDRN Cc1nn(C)c(N2CCN(S(=O)(=O)C[C@H]3CCN(S(C)(=O)=O)C3)CC2)c1C#N ZINC001309407888 1074014238 /nfs/dbraw/zinc/01/42/38/1074014238.db2.gz LXZSUIXZTDNLAK-AWEZNQCLSA-N 0 0 430.556 -0.667 20 30 IBEDRN Cc1nn(C)c(N2CCN(S(=O)(=O)C[C@@H]3CCN(S(C)(=O)=O)C3)CC2)c1C#N ZINC001309407907 1074014379 /nfs/dbraw/zinc/01/43/79/1074014379.db2.gz LXZSUIXZTDNLAK-CQSZACIVSA-N 0 0 430.556 -0.667 20 30 IBEDRN C#CCNC(=O)CN1CCN(S(=O)(=O)N2CCC(C(=O)OC(C)(C)C)CC2)CC1 ZINC001309597993 1074016708 /nfs/dbraw/zinc/01/67/08/1074016708.db2.gz MTZNANXUDLNSHM-UHFFFAOYSA-N 0 0 428.555 -0.348 20 30 IBEDRN C#CCNC(=O)CN1CCN(S(=O)(=O)C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)CC1 ZINC001309598596 1074016595 /nfs/dbraw/zinc/01/65/95/1074016595.db2.gz UHQSKXMGMANIBT-INIZCTEOSA-N 0 0 444.554 -0.681 20 30 IBEDRN C#CCNC(=O)CN1CCN(S(=O)(=O)C[C@H]2CN(C(=O)OC(C)(C)C)CCO2)CC1 ZINC001309598597 1074016670 /nfs/dbraw/zinc/01/66/70/1074016670.db2.gz UHQSKXMGMANIBT-MRXNPFEDSA-N 0 0 444.554 -0.681 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)OCC)cc2F)CC1 ZINC001309800992 1074020489 /nfs/dbraw/zinc/02/04/89/1074020489.db2.gz GFNHIWIEWKGVJH-UHFFFAOYSA-N 0 0 433.483 -0.224 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2C(=O)OC)CC1 ZINC001309801532 1074020528 /nfs/dbraw/zinc/02/05/28/1074020528.db2.gz LQJDREYEFMUXSL-UHFFFAOYSA-N 0 0 431.492 -0.744 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2cnc3c(Cl)c(C)nn3c2)CC1 ZINC001309802173 1074020470 /nfs/dbraw/zinc/02/04/70/1074020470.db2.gz PMIMXZUIAJTHRV-UHFFFAOYSA-N 0 0 432.915 -0.535 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2cnn(-c3ccccc3OC)c2)CC1 ZINC001309802577 1074020479 /nfs/dbraw/zinc/02/04/79/1074020479.db2.gz VCAXSTUPQLAUGM-UHFFFAOYSA-N 0 0 439.519 -0.345 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2cc3c4c(c2)CCC(=O)N4CC3)CC1 ZINC001309802796 1074020498 /nfs/dbraw/zinc/02/04/98/1074020498.db2.gz YULQJACPXDIDQO-UHFFFAOYSA-N 0 0 438.531 -0.704 20 30 IBEDRN CNS(=O)(=O)c1ccc(N2CCN(S(=O)(=O)N(CCC#N)CCOC)CC2)cc1 ZINC001309808796 1074020445 /nfs/dbraw/zinc/02/04/45/1074020445.db2.gz NBRWCQKRMNFLAZ-UHFFFAOYSA-N 0 0 445.567 -0.176 20 30 IBEDRN COc1ccc(C(=O)N(C)C)cc1S(=O)(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 ZINC001309888876 1074022696 /nfs/dbraw/zinc/02/26/96/1074022696.db2.gz CYPUKNXQSAVNLT-GUYCJALGSA-N 0 0 427.504 -0.044 20 30 IBEDRN COc1cc2c(cc1S(=O)(=O)N1C[C@H]3CS(=O)(=O)C[C@]3(C#N)C1)C(=O)NCCC2 ZINC001309889152 1074022762 /nfs/dbraw/zinc/02/27/62/1074022762.db2.gz IMWPKKSLLURNEF-UGSOOPFHSA-N 0 0 439.515 -0.070 20 30 IBEDRN CC(C)(C)OC(=O)N1CCO[C@@H](CS(=O)(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)C1 ZINC001309889612 1074022603 /nfs/dbraw/zinc/02/26/03/1074022603.db2.gz ZROMJQAYNOIFRE-VBQJREDUSA-N 0 0 449.551 -0.178 20 30 IBEDRN CC(C)(C)OC(=O)N1CCO[C@H](CS(=O)(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)C1 ZINC001309889613 1074022596 /nfs/dbraw/zinc/02/25/96/1074022596.db2.gz ZROMJQAYNOIFRE-ZQIUZPCESA-N 0 0 449.551 -0.178 20 30 IBEDRN N#Cc1cc(F)c(S(=O)(=O)N2CCN3[C@H](CNS3(=O)=O)C2)cc1Br ZINC001309893061 1074022581 /nfs/dbraw/zinc/02/25/81/1074022581.db2.gz XSEMSSUHCDRXQP-SECBINFHSA-N 0 0 439.288 -0.017 20 30 IBEDRN N#Cc1cc(F)c(S(=O)(=O)N2CCN3[C@@H](CNS3(=O)=O)C2)cc1Br ZINC001309893062 1074022664 /nfs/dbraw/zinc/02/26/64/1074022664.db2.gz XSEMSSUHCDRXQP-VIFPVBQESA-N 0 0 439.288 -0.017 20 30 IBEDRN COc1ccc(C(=O)N(C)C)cc1S(=O)(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 ZINC001309914575 1074023427 /nfs/dbraw/zinc/02/34/27/1074023427.db2.gz CYPUKNXQSAVNLT-SUMWQHHRSA-N 0 0 427.504 -0.044 20 30 IBEDRN N#C[C@]12CN(S(=O)(=O)c3ccc(OCC(=O)NC4CC4)cc3)C[C@H]1CS(=O)(=O)C2 ZINC001309914581 1074023451 /nfs/dbraw/zinc/02/34/51/1074023451.db2.gz DAXTUDRMODSWBC-SCLBCKFNSA-N 0 0 439.515 -0.097 20 30 IBEDRN C#C[C@@H](CO)NC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 ZINC001309985409 1074024511 /nfs/dbraw/zinc/02/45/11/1074024511.db2.gz WEENMLHLPUCESM-HNNXBMFYSA-N 0 0 438.506 -0.340 20 30 IBEDRN C#C[C@H](CO)NC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 ZINC001309985410 1074024482 /nfs/dbraw/zinc/02/44/82/1074024482.db2.gz WEENMLHLPUCESM-OAHLLOKOSA-N 0 0 438.506 -0.340 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)CC1 ZINC001309993131 1074024418 /nfs/dbraw/zinc/02/44/18/1074024418.db2.gz DPKKEJULJGWNCQ-UHFFFAOYSA-N 0 0 441.535 -0.156 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)Nc2nc(CN3CCOCC3)cs2)CC1 ZINC001310018479 1074024357 /nfs/dbraw/zinc/02/43/57/1074024357.db2.gz GOPCOLKHZUKRJD-UHFFFAOYSA-N 0 0 428.540 -0.408 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(CN3C(=O)CNC3=O)c2)CC1 ZINC001310146002 1074024871 /nfs/dbraw/zinc/02/48/71/1074024871.db2.gz KVTUDYMFBDKTGE-UHFFFAOYSA-N 0 0 434.478 -0.645 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccccc2CN2C(=O)CCC2=O)CC1 ZINC001310205438 1074024880 /nfs/dbraw/zinc/02/48/80/1074024880.db2.gz XMRRYRZOFNGSSO-UHFFFAOYSA-N 0 0 433.490 -0.047 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(OC)c(-n3nnnc3C)c2)CC1 ZINC001310243424 1074024737 /nfs/dbraw/zinc/02/47/37/1074024737.db2.gz JPUBZQLDFYEOAO-UHFFFAOYSA-N 0 0 434.482 -0.404 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(OC)cc2S(C)(=O)=O)CC1 ZINC001310751430 1074026349 /nfs/dbraw/zinc/02/63/49/1074026349.db2.gz ONJQFENLLPGGSF-UHFFFAOYSA-N 0 0 430.508 -0.284 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)Nc2nc3c(s2)CS(=O)(=O)CC3)CC1 ZINC001310866856 1074026285 /nfs/dbraw/zinc/02/62/85/1074026285.db2.gz RDOBXTPYAQHATH-UHFFFAOYSA-N 0 0 433.537 -0.769 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)NCC2(N3CCOCC3)CCCCC2)CC1 ZINC001311343431 1074027033 /nfs/dbraw/zinc/02/70/33/1074027033.db2.gz IXLZMJKLCIUNSB-UHFFFAOYSA-N 0 0 427.571 -0.184 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc(CS(=O)(=O)NC)cc2)CC1 ZINC001311469621 1074027999 /nfs/dbraw/zinc/02/79/99/1074027999.db2.gz BAXFXMPBRKNYCM-UHFFFAOYSA-N 0 0 443.551 -0.969 20 30 IBEDRN N#C[C@@]12CN(C(=O)NCc3ccc(C(=O)N4CCNC(=O)C4)cc3)C[C@H]1CS(=O)(=O)C2 ZINC001311504006 1074028569 /nfs/dbraw/zinc/02/85/69/1074028569.db2.gz VDJXXLHMPMEZIC-JXFKEZNVSA-N 0 0 445.501 -0.662 20 30 IBEDRN N#C[C@]12CN(C(=O)NCCC(=O)N3CCN(c4ccccn4)CC3)C[C@H]1CS(=O)(=O)C2 ZINC001311754462 1074029701 /nfs/dbraw/zinc/02/97/01/1074029701.db2.gz PQMWZPZQESDYHS-OXJNMPFZSA-N 0 0 446.533 -0.300 20 30 IBEDRN N#C[C@@]12CN(C(=O)NCCC(=O)N3CCN(c4ncccn4)CC3)C[C@H]1CS(=O)(=O)C2 ZINC001311850128 1074031189 /nfs/dbraw/zinc/03/11/89/1074031189.db2.gz XEAQIZHCOBKGME-KXBFYZLASA-N 0 0 447.521 -0.905 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)NCCCNC(=O)c2cccc(F)c2)CC1 ZINC001311991183 1074032497 /nfs/dbraw/zinc/03/24/97/1074032497.db2.gz IZXLCYSIEQAXNG-UHFFFAOYSA-N 0 0 425.486 -0.260 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)NCCNc2nccc(C(F)(F)F)n2)CC1 ZINC001312045471 1074032903 /nfs/dbraw/zinc/03/29/03/1074032903.db2.gz JWVCTFCSAJPHCT-UHFFFAOYSA-N 0 0 435.432 -0.298 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)NCc2nnc(-c3ccc(OC)cc3)[nH]2)CC1 ZINC001312055490 1074032857 /nfs/dbraw/zinc/03/28/57/1074032857.db2.gz QKFRPEZBBDJKHA-UHFFFAOYSA-N 0 0 433.494 -0.225 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)NC2CCN(c3cc(C)nc(C)n3)CC2)CC1 ZINC001312120927 1074033201 /nfs/dbraw/zinc/03/32/01/1074033201.db2.gz AZWGXVPQUTUDOV-UHFFFAOYSA-N 0 0 435.554 -0.143 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)NCCCNC(=O)c2ccccc2F)CC1 ZINC001312147472 1074033664 /nfs/dbraw/zinc/03/36/64/1074033664.db2.gz BRYXTGPOSUHNJG-UHFFFAOYSA-N 0 0 425.486 -0.260 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)NCc2cccc(OCC(=O)NCC)c2)CC1 ZINC001312173969 1074033675 /nfs/dbraw/zinc/03/36/75/1074033675.db2.gz SCFFXFKCYIGGJY-UHFFFAOYSA-N 0 0 437.522 -0.504 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2CC(=O)N(c3c(F)cccc3F)C2)CC1 ZINC001312400509 1074034858 /nfs/dbraw/zinc/03/48/58/1074034858.db2.gz KNSFGJOTWBEMBD-CYBMUJFWSA-N 0 0 441.460 -0.135 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2CC(=O)N(c3c(F)cccc3F)C2)CC1 ZINC001312400510 1074034846 /nfs/dbraw/zinc/03/48/46/1074034846.db2.gz KNSFGJOTWBEMBD-ZDUSSCGKSA-N 0 0 441.460 -0.135 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC001312422141 1074035237 /nfs/dbraw/zinc/03/52/37/1074035237.db2.gz QAZHVSIXIBWDSN-AWEZNQCLSA-N 0 0 428.536 -0.054 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC001312487492 1074035294 /nfs/dbraw/zinc/03/52/94/1074035294.db2.gz XIVOZVQXXRCPNA-GOSISDBHSA-N 0 0 444.517 -0.152 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC001312487493 1074035316 /nfs/dbraw/zinc/03/53/16/1074035316.db2.gz XIVOZVQXXRCPNA-SFHVURJKSA-N 0 0 444.517 -0.152 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)NCCc2nc(C(=O)OCC)cs2)CC1 ZINC001312517590 1074035582 /nfs/dbraw/zinc/03/55/82/1074035582.db2.gz QIXMVVVDZTURSB-UHFFFAOYSA-N 0 0 429.524 -0.343 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)NCc2cc(S(C)(=O)=O)ccc2F)CC1 ZINC001312577987 1074035661 /nfs/dbraw/zinc/03/56/61/1074035661.db2.gz XAMZUDJWJGZUBG-UHFFFAOYSA-N 0 0 432.499 -0.476 20 30 IBEDRN N#C[C@@]12CN(C(=O)NCCNS(=O)(=O)c3ccc(F)cc3F)C[C@H]1CS(=O)(=O)C2 ZINC001312586872 1074035556 /nfs/dbraw/zinc/03/55/56/1074035556.db2.gz STSWOAXIUHCYKV-ZBEGNZNMSA-N 0 0 448.473 -0.177 20 30 IBEDRN CC(C)(C)OC(=O)N1CCN(C(=O)N2CCN(C(=O)NCC(=O)NCC#N)CC2)CC1 ZINC001312663029 1074035954 /nfs/dbraw/zinc/03/59/54/1074035954.db2.gz WXPJXIDPZRTBBU-UHFFFAOYSA-N 0 0 437.501 -0.374 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@@]2(COC)OCCc3ccccc32)CC1 ZINC001312797835 1074036883 /nfs/dbraw/zinc/03/68/83/1074036883.db2.gz INRLYNAXHZLSOR-FQEVSTJZSA-N 0 0 436.534 -0.104 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@]2(COC)OCCc3ccccc32)CC1 ZINC001312797837 1074036904 /nfs/dbraw/zinc/03/69/04/1074036904.db2.gz INRLYNAXHZLSOR-HXUWFJFHSA-N 0 0 436.534 -0.104 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)NCCNC(=O)CCCc2ccccc2)CC1 ZINC001312901427 1074037539 /nfs/dbraw/zinc/03/75/39/1074037539.db2.gz RHZAJBYRVFAAJK-UHFFFAOYSA-N 0 0 435.550 -0.080 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)NCCOCCCNC(=O)OC(C)(C)C)CC1 ZINC001313123839 1074039377 /nfs/dbraw/zinc/03/93/77/1074039377.db2.gz YCQLBTZTWRISDV-UHFFFAOYSA-N 0 0 447.558 -0.287 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)NC2CCN(CC(=O)OC(C)(C)C)CC2)CC1 ZINC001313163596 1074039821 /nfs/dbraw/zinc/03/98/21/1074039821.db2.gz QRRGSMWGAKDESE-UHFFFAOYSA-N 0 0 443.570 -0.413 20 30 IBEDRN N#Cc1cn(C2CN(C(=O)N[C@H]3CCC[N@H+](CCN4CCOCC4)C3)C2)c(=O)[n-]c1=O ZINC001313204884 1074040530 /nfs/dbraw/zinc/04/05/30/1074040530.db2.gz GNXSDQUZNZZSFN-INIZCTEOSA-N 0 0 431.497 -0.817 20 30 IBEDRN N#Cc1cn(C2CN(C(=O)N[C@@H]3CCC[N@H+](CCN4CCOCC4)C3)C2)c(=O)[n-]c1=O ZINC001313204885 1074040775 /nfs/dbraw/zinc/04/07/75/1074040775.db2.gz GNXSDQUZNZZSFN-MRXNPFEDSA-N 0 0 431.497 -0.817 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)NCCc2ccccc2S(C)(=O)=O)CC1 ZINC001313271592 1074041462 /nfs/dbraw/zinc/04/14/62/1074041462.db2.gz SQOSZZWZZMIUKS-UHFFFAOYSA-N 0 0 428.536 -0.573 20 30 IBEDRN N#C[C@@]12CN(C(=O)NCCNS(=O)(=O)Cc3ccccc3)C[C@H]1CS(=O)(=O)C2 ZINC001313301215 1074042324 /nfs/dbraw/zinc/04/23/24/1074042324.db2.gz BRPXPWNXMKBYNY-RDJZCZTQSA-N 0 0 426.520 -0.314 20 30 IBEDRN CC(C)(C)OC(=O)COCCOCCNC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 ZINC001313397220 1074043293 /nfs/dbraw/zinc/04/32/93/1074043293.db2.gz DUHLDMVZEZYXBN-KSSFIOAISA-N 0 0 431.511 -0.059 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2CCc3ncc(Br)n3C2)CC1 ZINC001313422252 1074043943 /nfs/dbraw/zinc/04/39/43/1074043943.db2.gz LXWZIKHURCENCU-GFCCVEGCSA-N 0 0 445.343 -0.245 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2CCc3ncc(Br)n3C2)CC1 ZINC001313422253 1074043831 /nfs/dbraw/zinc/04/38/31/1074043831.db2.gz LXWZIKHURCENCU-LBPRGKRZSA-N 0 0 445.343 -0.245 20 30 IBEDRN CCCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 ZINC001313496717 1074045615 /nfs/dbraw/zinc/04/56/15/1074045615.db2.gz RBIPJXQSVASLMR-GDBMZVCRSA-N 0 0 435.554 -0.117 20 30 IBEDRN CCCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 ZINC001313496721 1074045647 /nfs/dbraw/zinc/04/56/47/1074045647.db2.gz RBIPJXQSVASLMR-GOEBONIOSA-N 0 0 435.554 -0.117 20 30 IBEDRN CCCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 ZINC001313496722 1074046031 /nfs/dbraw/zinc/04/60/31/1074046031.db2.gz RBIPJXQSVASLMR-HOCLYGCPSA-N 0 0 435.554 -0.117 20 30 IBEDRN CCCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 ZINC001313496724 1074046006 /nfs/dbraw/zinc/04/60/06/1074046006.db2.gz RBIPJXQSVASLMR-ZBFHGGJFSA-N 0 0 435.554 -0.117 20 30 IBEDRN CCN(CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C#N)C1)S(C)(=O)=O ZINC001313799610 1074048614 /nfs/dbraw/zinc/04/86/14/1074048614.db2.gz DYXPCOKGOIRTMB-KBPBESRZSA-N 0 0 425.515 -0.370 20 30 IBEDRN CCN(CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](C#N)C1)S(C)(=O)=O ZINC001313799613 1074048705 /nfs/dbraw/zinc/04/87/05/1074048705.db2.gz DYXPCOKGOIRTMB-KGLIPLIRSA-N 0 0 425.515 -0.370 20 30 IBEDRN CCN(CCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C#N)C1)S(C)(=O)=O ZINC001313799614 1074048722 /nfs/dbraw/zinc/04/87/22/1074048722.db2.gz DYXPCOKGOIRTMB-UONOGXRCSA-N 0 0 425.515 -0.370 20 30 IBEDRN CCN(CCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](C#N)C1)S(C)(=O)=O ZINC001313799615 1074048628 /nfs/dbraw/zinc/04/86/28/1074048628.db2.gz DYXPCOKGOIRTMB-ZIAGYGMSSA-N 0 0 425.515 -0.370 20 30 IBEDRN CCOCc1nnc(N2CCN3C(=O)N(C)C[C@H]3C2)n1CCNC(=O)C1N=CC=CC1=O ZINC001314396520 1074062430 /nfs/dbraw/zinc/06/24/30/1074062430.db2.gz SCSMYWCMDJLEAV-DNZUHHBVSA-N 0 0 444.496 -0.103 20 30 IBEDRN CCOCc1nnc(N2CCN3C(=O)N(C)C[C@@H]3C2)n1CCNC(=O)C1N=CC=CC1=O ZINC001314396521 1074062453 /nfs/dbraw/zinc/06/24/53/1074062453.db2.gz SCSMYWCMDJLEAV-IAFNSTAXSA-N 0 0 444.496 -0.103 20 30 IBEDRN CCOCc1nnc(N2CCN3C(=O)N(C)C[C@@H]3C2)n1CCNC(=O)C1N=CC=CC1=O ZINC001314396522 1074062587 /nfs/dbraw/zinc/06/25/87/1074062587.db2.gz SCSMYWCMDJLEAV-MGPWXQLLSA-N 0 0 444.496 -0.103 20 30 IBEDRN CCOCc1nnc(N2CCN3C(=O)N(C)C[C@H]3C2)n1CCNC(=O)C1N=CC=CC1=O ZINC001314396523 1074062475 /nfs/dbraw/zinc/06/24/75/1074062475.db2.gz SCSMYWCMDJLEAV-YWMAMYRUSA-N 0 0 444.496 -0.103 20 30 IBEDRN CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001314490283 1074064332 /nfs/dbraw/zinc/06/43/32/1074064332.db2.gz MQSBZMWTDPPYNG-INIZCTEOSA-N 0 0 439.476 -0.088 20 30 IBEDRN CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001314490284 1074064367 /nfs/dbraw/zinc/06/43/67/1074064367.db2.gz MQSBZMWTDPPYNG-MRXNPFEDSA-N 0 0 439.476 -0.088 20 30 IBEDRN CCS(=O)(=O)NCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1 ZINC001314551954 1074066801 /nfs/dbraw/zinc/06/68/01/1074066801.db2.gz HEEVAOYGRXZSPA-BBRMVZONSA-N 0 0 448.546 -0.048 20 30 IBEDRN CCS(=O)(=O)NCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1 ZINC001314551956 1074066942 /nfs/dbraw/zinc/06/69/42/1074066942.db2.gz HEEVAOYGRXZSPA-CJNGLKHVSA-N 0 0 448.546 -0.048 20 30 IBEDRN CCS(=O)(=O)NCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1 ZINC001314551957 1074066878 /nfs/dbraw/zinc/06/68/78/1074066878.db2.gz HEEVAOYGRXZSPA-CZUORRHYSA-N 0 0 448.546 -0.048 20 30 IBEDRN CCS(=O)(=O)NCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1 ZINC001314551958 1074066793 /nfs/dbraw/zinc/06/67/93/1074066793.db2.gz HEEVAOYGRXZSPA-XJKSGUPXSA-N 0 0 448.546 -0.048 20 30 IBEDRN CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 ZINC001314554919 1074067258 /nfs/dbraw/zinc/06/72/58/1074067258.db2.gz PMKHECJQKHQXCR-UHFFFAOYSA-N 0 0 438.535 -0.009 20 30 IBEDRN CC[S@](=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C#N ZINC001314570296 1074068922 /nfs/dbraw/zinc/06/89/22/1074068922.db2.gz VOSRRGNZPAJTDO-IVAFGUPBSA-N 0 0 432.572 -0.025 20 30 IBEDRN CC[S@](=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C#N ZINC001314570297 1074068960 /nfs/dbraw/zinc/06/89/60/1074068960.db2.gz VOSRRGNZPAJTDO-SSWHHONOSA-N 0 0 432.572 -0.025 20 30 IBEDRN CC[S@](=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N ZINC001314570409 1074069012 /nfs/dbraw/zinc/06/90/12/1074069012.db2.gz VOSRRGNZPAJTDO-VXKZXEGRSA-N 0 0 432.572 -0.025 20 30 IBEDRN CC[S@](=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N ZINC001314570411 1074068943 /nfs/dbraw/zinc/06/89/43/1074068943.db2.gz VOSRRGNZPAJTDO-ZRBXUZRCSA-N 0 0 432.572 -0.025 20 30 IBEDRN CN(C)C(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001314637207 1074069742 /nfs/dbraw/zinc/06/97/42/1074069742.db2.gz RPJZINAUQTUABF-INIZCTEOSA-N 0 0 436.476 -0.558 20 30 IBEDRN CN(C)C(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001314637208 1074069714 /nfs/dbraw/zinc/06/97/14/1074069714.db2.gz RPJZINAUQTUABF-MRXNPFEDSA-N 0 0 436.476 -0.558 20 30 IBEDRN CN(C)C(=O)CN1CCN(c2nnc(C3CC3)n2CCNC(=O)C2N=CC=CC2=O)CC1 ZINC001314643449 1074070497 /nfs/dbraw/zinc/07/04/97/1074070497.db2.gz MDCQBTGPCDCEIK-CZIZESTLSA-N 0 0 442.524 -0.108 20 30 IBEDRN CN(C)C(=O)CN1CCN(c2nnc(C3CC3)n2CCNC(=O)C2N=CC=CC2=O)CC1 ZINC001314643459 1074070510 /nfs/dbraw/zinc/07/05/10/1074070510.db2.gz MDCQBTGPCDCEIK-ZZEZOPTASA-N 0 0 442.524 -0.108 20 30 IBEDRN CN(C)C(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1 ZINC001314646345 1074071725 /nfs/dbraw/zinc/07/17/25/1074071725.db2.gz XUWDXCVXIDRODG-HNNXBMFYSA-N 0 0 439.542 -0.171 20 30 IBEDRN CN(C)C(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1 ZINC001314646386 1074071635 /nfs/dbraw/zinc/07/16/35/1074071635.db2.gz XUWDXCVXIDRODG-OAHLLOKOSA-N 0 0 439.542 -0.171 20 30 IBEDRN CN(C)S(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 ZINC001314674668 1074072346 /nfs/dbraw/zinc/07/23/46/1074072346.db2.gz VYHOMHJXXVCXPU-UHFFFAOYSA-N 0 0 438.535 -0.057 20 30 IBEDRN CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 ZINC001315065892 1074093501 /nfs/dbraw/zinc/09/35/01/1074093501.db2.gz WEYNFLCLDGKCNZ-HNNXBMFYSA-N 0 0 438.535 -0.011 20 30 IBEDRN CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001315065899 1074093462 /nfs/dbraw/zinc/09/34/62/1074093462.db2.gz WEYNFLCLDGKCNZ-OAHLLOKOSA-N 0 0 438.535 -0.011 20 30 IBEDRN CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 ZINC001315066543 1074093547 /nfs/dbraw/zinc/09/35/47/1074093547.db2.gz AWMPYCGJFROXPE-HNNXBMFYSA-N 0 0 438.535 -0.011 20 30 IBEDRN CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001315066544 1074093556 /nfs/dbraw/zinc/09/35/56/1074093556.db2.gz AWMPYCGJFROXPE-OAHLLOKOSA-N 0 0 438.535 -0.011 20 30 IBEDRN COC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1)OC ZINC001315800980 1074104939 /nfs/dbraw/zinc/10/49/39/1074104939.db2.gz XACQJHSTNLZHEA-DLBZAZTESA-N 0 0 439.476 -0.375 20 30 IBEDRN COC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1)OC ZINC001315800981 1074104928 /nfs/dbraw/zinc/10/49/28/1074104928.db2.gz XACQJHSTNLZHEA-IAGOWNOFSA-N 0 0 439.476 -0.375 20 30 IBEDRN COC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1)OC ZINC001315800982 1074104909 /nfs/dbraw/zinc/10/49/09/1074104909.db2.gz XACQJHSTNLZHEA-IRXDYDNUSA-N 0 0 439.476 -0.375 20 30 IBEDRN COC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1)OC ZINC001315800983 1074104902 /nfs/dbraw/zinc/10/49/02/1074104902.db2.gz XACQJHSTNLZHEA-SJORKVTESA-N 0 0 439.476 -0.375 20 30 IBEDRN COCCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1CCN1CCN(C(C)=O)CC1 ZINC001316101983 1074114648 /nfs/dbraw/zinc/11/46/48/1074114648.db2.gz SQOMRAYKQNNZHS-KRWDZBQOSA-N 0 0 432.529 -0.240 20 30 IBEDRN COCCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1CCN1CCN(C(C)=O)CC1 ZINC001316101987 1074114815 /nfs/dbraw/zinc/11/48/15/1074114815.db2.gz SQOMRAYKQNNZHS-QGZVFWFLSA-N 0 0 432.529 -0.240 20 30 IBEDRN COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001316264153 1074124391 /nfs/dbraw/zinc/12/43/91/1074124391.db2.gz JVFIIUVBWDQNLH-KRWDZBQOSA-N 0 0 439.476 -0.373 20 30 IBEDRN COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001316264154 1074124374 /nfs/dbraw/zinc/12/43/74/1074124374.db2.gz JVFIIUVBWDQNLH-QGZVFWFLSA-N 0 0 439.476 -0.373 20 30 IBEDRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCN1CCCS1(=O)=O ZINC001316297822 1074125606 /nfs/dbraw/zinc/12/56/06/1074125606.db2.gz PPOBHYIKUVCQRL-JYJNAYRXSA-N 0 0 440.526 -0.234 20 30 IBEDRN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCN1CCCS1(=O)=O ZINC001316297823 1074125654 /nfs/dbraw/zinc/12/56/54/1074125654.db2.gz PPOBHYIKUVCQRL-XHSDSOJGSA-N 0 0 440.526 -0.234 20 30 IBEDRN CS(=O)(=O)C1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)CCC1 ZINC001316337792 1074127736 /nfs/dbraw/zinc/12/77/36/1074127736.db2.gz WKHPLPGXSNWPCT-KBPBESRZSA-N 0 0 443.551 -0.124 20 30 IBEDRN CS(=O)(=O)C1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)CCC1 ZINC001316337794 1074127758 /nfs/dbraw/zinc/12/77/58/1074127758.db2.gz WKHPLPGXSNWPCT-KGLIPLIRSA-N 0 0 443.551 -0.124 20 30 IBEDRN CS(=O)(=O)C1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)CCC1 ZINC001316337796 1074127767 /nfs/dbraw/zinc/12/77/67/1074127767.db2.gz WKHPLPGXSNWPCT-UONOGXRCSA-N 0 0 443.551 -0.124 20 30 IBEDRN CS(=O)(=O)C1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)CCC1 ZINC001316337798 1074127806 /nfs/dbraw/zinc/12/78/06/1074127806.db2.gz WKHPLPGXSNWPCT-ZIAGYGMSSA-N 0 0 443.551 -0.124 20 30 IBEDRN CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCO[C@@H](C#N)C3)n2CC[C@H]2CCOC2)C1 ZINC001316355262 1074130873 /nfs/dbraw/zinc/13/08/73/1074130873.db2.gz KFTLBQXGVMDTSY-JYJNAYRXSA-N 0 0 440.526 -0.234 20 30 IBEDRN CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCO[C@H](C#N)C3)n2CC[C@@H]2CCOC2)C1 ZINC001316355263 1074130918 /nfs/dbraw/zinc/13/09/18/1074130918.db2.gz KFTLBQXGVMDTSY-OAGGEKHMSA-N 0 0 440.526 -0.234 20 30 IBEDRN CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCO[C@@H](C#N)C3)n2CC[C@@H]2CCOC2)C1 ZINC001316355264 1074130897 /nfs/dbraw/zinc/13/08/97/1074130897.db2.gz KFTLBQXGVMDTSY-PMPSAXMXSA-N 0 0 440.526 -0.234 20 30 IBEDRN CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCO[C@H](C#N)C3)n2CC[C@H]2CCOC2)C1 ZINC001316355266 1074130861 /nfs/dbraw/zinc/13/08/61/1074130861.db2.gz KFTLBQXGVMDTSY-XHSDSOJGSA-N 0 0 440.526 -0.234 20 30 IBEDRN CS(=O)(=O)N1CCN(c2nnc(C3CC3)n2CCNC(=O)C2N=CC=CC2=O)CC1 ZINC001316356231 1074131245 /nfs/dbraw/zinc/13/12/45/1074131245.db2.gz ODHCLGKQJCFQHU-BMRADRMJSA-N 0 0 435.510 -0.237 20 30 IBEDRN CS(=O)(=O)N1CCN(c2nnc(C3CC3)n2CCNC(=O)C2N=CC=CC2=O)CC1 ZINC001316356233 1074131276 /nfs/dbraw/zinc/13/12/76/1074131276.db2.gz ODHCLGKQJCFQHU-ICFOKQHNSA-N 0 0 435.510 -0.237 20 30 IBEDRN CS(=O)(=O)N1CCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C#N)C1 ZINC001316356999 1074131861 /nfs/dbraw/zinc/13/18/61/1074131861.db2.gz QYUQOLDVOQJSQH-CABCVRRESA-N 0 0 437.526 -0.447 20 30 IBEDRN CS(=O)(=O)N1CCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C#N)C1 ZINC001316357120 1074131890 /nfs/dbraw/zinc/13/18/90/1074131890.db2.gz QYUQOLDVOQJSQH-HUUCEWRRSA-N 0 0 437.526 -0.447 20 30 IBEDRN CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H]2COCCO2)C1 ZINC001316357413 1074131858 /nfs/dbraw/zinc/13/18/58/1074131858.db2.gz RSHKRPPBJPANHC-GRDNDAEWSA-N 0 0 444.489 -0.532 20 30 IBEDRN CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H]2COCCO2)C1 ZINC001316357414 1074131907 /nfs/dbraw/zinc/13/19/07/1074131907.db2.gz RSHKRPPBJPANHC-JJRVBVJISA-N 0 0 444.489 -0.532 20 30 IBEDRN CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H]2COCCO2)C1 ZINC001316357415 1074131840 /nfs/dbraw/zinc/13/18/40/1074131840.db2.gz RSHKRPPBJPANHC-VBQJREDUSA-N 0 0 444.489 -0.532 20 30 IBEDRN CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H]2COCCO2)C1 ZINC001316357416 1074132277 /nfs/dbraw/zinc/13/22/77/1074132277.db2.gz RSHKRPPBJPANHC-ZQIUZPCESA-N 0 0 444.489 -0.532 20 30 IBEDRN CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@]2(O)CCOC2)C1 ZINC001316358317 1074132295 /nfs/dbraw/zinc/13/22/95/1074132295.db2.gz WOMKXNZQEYWVII-IAOVAPTHSA-N 0 0 444.489 -0.796 20 30 IBEDRN CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@]2(O)CCOC2)C1 ZINC001316358318 1074132259 /nfs/dbraw/zinc/13/22/59/1074132259.db2.gz WOMKXNZQEYWVII-JQFCIGGWSA-N 0 0 444.489 -0.796 20 30 IBEDRN CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@]2(O)CCOC2)C1 ZINC001316358319 1074132312 /nfs/dbraw/zinc/13/23/12/1074132312.db2.gz WOMKXNZQEYWVII-RRQGHBQHSA-N 0 0 444.489 -0.796 20 30 IBEDRN CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@]2(O)CCOC2)C1 ZINC001316358320 1074132286 /nfs/dbraw/zinc/13/22/86/1074132286.db2.gz WOMKXNZQEYWVII-XKQJLSEDSA-N 0 0 444.489 -0.796 20 30 IBEDRN CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CC[C@](F)(C#N)C3)n2CCOCCCO)C1 ZINC001316358507 1074132825 /nfs/dbraw/zinc/13/28/25/1074132825.db2.gz ZPYVGYCDLGFXGX-PBHICJAKSA-N 0 0 446.505 -0.548 20 30 IBEDRN CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CC[C@@](F)(C#N)C3)n2CCOCCCO)C1 ZINC001316358508 1074132814 /nfs/dbraw/zinc/13/28/14/1074132814.db2.gz ZPYVGYCDLGFXGX-RHSMWYFYSA-N 0 0 446.505 -0.548 20 30 IBEDRN CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@@](F)(C#N)C3)n2CCOCCCO)C1 ZINC001316358509 1074132832 /nfs/dbraw/zinc/13/28/32/1074132832.db2.gz ZPYVGYCDLGFXGX-WMLDXEAASA-N 0 0 446.505 -0.548 20 30 IBEDRN CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@](F)(C#N)C3)n2CCOCCCO)C1 ZINC001316358510 1074132810 /nfs/dbraw/zinc/13/28/10/1074132810.db2.gz ZPYVGYCDLGFXGX-YOEHRIQHSA-N 0 0 446.505 -0.548 20 30 IBEDRN CS(=O)(=O)NCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 ZINC001316359783 1074133135 /nfs/dbraw/zinc/13/31/35/1074133135.db2.gz KKTYJKQZXYPPKA-HNNXBMFYSA-N 0 0 436.542 -0.760 20 30 IBEDRN CS(=O)(=O)NCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 ZINC001316359784 1074133206 /nfs/dbraw/zinc/13/32/06/1074133206.db2.gz KKTYJKQZXYPPKA-OAHLLOKOSA-N 0 0 436.542 -0.760 20 30 IBEDRN CS(=O)(=O)NCCn1c(-c2noc3c2COCC3)nnc1N1CC[C@](F)(C#N)C1 ZINC001316361571 1074133581 /nfs/dbraw/zinc/13/35/81/1074133581.db2.gz CLWDGHUPZULRKG-INIZCTEOSA-N 0 0 425.446 -0.003 20 30 IBEDRN CS(=O)(=O)NCCn1c(-c2noc3c2COCC3)nnc1N1CC[C@@](F)(C#N)C1 ZINC001316361610 1074133634 /nfs/dbraw/zinc/13/36/34/1074133634.db2.gz CLWDGHUPZULRKG-MRXNPFEDSA-N 0 0 425.446 -0.003 20 30 IBEDRN N#C[C@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC(=O)N2CCOCC2)C1 ZINC001316531753 1074136300 /nfs/dbraw/zinc/13/63/00/1074136300.db2.gz KNTCPMQSEGVVGY-KBXCAEBGSA-N 0 0 440.501 -0.129 20 30 IBEDRN N#C[C@@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC(=O)N2CCOCC2)C1 ZINC001316531757 1074136396 /nfs/dbraw/zinc/13/63/96/1074136396.db2.gz KNTCPMQSEGVVGY-KDOFPFPSSA-N 0 0 440.501 -0.129 20 30 IBEDRN N#C[C@@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC(=O)N2CCOCC2)C1 ZINC001316531758 1074136327 /nfs/dbraw/zinc/13/63/27/1074136327.db2.gz KNTCPMQSEGVVGY-KSSFIOAISA-N 0 0 440.501 -0.129 20 30 IBEDRN N#C[C@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC(=O)N2CCOCC2)C1 ZINC001316531760 1074136331 /nfs/dbraw/zinc/13/63/31/1074136331.db2.gz KNTCPMQSEGVVGY-RDTXWAMCSA-N 0 0 440.501 -0.129 20 30 IBEDRN N#Cc1ccc(OCc2nnc(N3CCNC(=O)C3)n2CCC(=O)N2CCOCC2)cc1 ZINC001316533428 1074136386 /nfs/dbraw/zinc/13/63/86/1074136386.db2.gz PPIQCWVZLKEHER-UHFFFAOYSA-N 0 0 439.476 -0.086 20 30 IBEDRN N#CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN2CCCS2(=O)=O)CC1 ZINC001316535582 1074136381 /nfs/dbraw/zinc/13/63/81/1074136381.db2.gz UYXGRCVQSRJYSI-HNNXBMFYSA-N 0 0 442.567 -0.044 20 30 IBEDRN N#CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN2CCCS2(=O)=O)CC1 ZINC001316535583 1074136371 /nfs/dbraw/zinc/13/63/71/1074136371.db2.gz UYXGRCVQSRJYSI-OAHLLOKOSA-N 0 0 442.567 -0.044 20 30 IBEDRN N#C[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC2(O)CCOCC2)CCO1 ZINC001316540500 1074136334 /nfs/dbraw/zinc/13/63/34/1074136334.db2.gz LDDXVCBNPHVBLV-CABCVRRESA-N 0 0 425.511 -0.159 20 30 IBEDRN N#C[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC2(O)CCOCC2)CCO1 ZINC001316540506 1074136365 /nfs/dbraw/zinc/13/63/65/1074136365.db2.gz LDDXVCBNPHVBLV-GJZGRUSLSA-N 0 0 425.511 -0.159 20 30 IBEDRN N#C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC2(O)CCOCC2)CCO1 ZINC001316540507 1074136409 /nfs/dbraw/zinc/13/64/09/1074136409.db2.gz LDDXVCBNPHVBLV-HUUCEWRRSA-N 0 0 425.511 -0.159 20 30 IBEDRN N#C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC2(O)CCOCC2)CCO1 ZINC001316540508 1074136378 /nfs/dbraw/zinc/13/63/78/1074136378.db2.gz LDDXVCBNPHVBLV-LSDHHAIUSA-N 0 0 425.511 -0.159 20 30 IBEDRN N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC001317732563 1074141965 /nfs/dbraw/zinc/14/19/65/1074141965.db2.gz ZCKHBCYXTAVAPQ-INIZCTEOSA-N 0 0 440.547 -0.177 20 30 IBEDRN N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC001317732567 1074141940 /nfs/dbraw/zinc/14/19/40/1074141940.db2.gz ZCKHBCYXTAVAPQ-MRXNPFEDSA-N 0 0 440.547 -0.177 20 30 IBEDRN C=CCNS(=O)(=O)c1cc(C(=O)OCC(=O)N[C@@H]2CCS(=O)(=O)C2)ccc1F ZINC001317814109 1074144546 /nfs/dbraw/zinc/14/45/46/1074144546.db2.gz VLJUSBILKROBSC-GFCCVEGCSA-N 0 0 434.467 -0.250 20 30 IBEDRN C=CCNS(=O)(=O)c1cc(C(=O)OCC(=O)N[C@H]2CCS(=O)(=O)C2)ccc1F ZINC001317814110 1074144647 /nfs/dbraw/zinc/14/46/47/1074144647.db2.gz VLJUSBILKROBSC-LBPRGKRZSA-N 0 0 434.467 -0.250 20 30 IBEDRN N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC001317982455 1074150809 /nfs/dbraw/zinc/15/08/09/1074150809.db2.gz WKVFRPLNZCPYSO-KRWDZBQOSA-N 0 0 425.532 -0.196 20 30 IBEDRN N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC001317982460 1074150804 /nfs/dbraw/zinc/15/08/04/1074150804.db2.gz WKVFRPLNZCPYSO-QGZVFWFLSA-N 0 0 425.532 -0.196 20 30 IBEDRN N#Cc1ccc(N2C[C@@H](C(=O)N3CCN(C(=O)CN4C(=O)CCC4=O)CC3)CC2=O)cc1 ZINC001318041661 1074153307 /nfs/dbraw/zinc/15/33/07/1074153307.db2.gz QYVBYZJNWAZERL-INIZCTEOSA-N 0 0 437.456 -0.269 20 30 IBEDRN N#Cc1ccc(N2C[C@H](C(=O)N3CCN(C(=O)CN4C(=O)CCC4=O)CC3)CC2=O)cc1 ZINC001318041667 1074153337 /nfs/dbraw/zinc/15/33/37/1074153337.db2.gz QYVBYZJNWAZERL-MRXNPFEDSA-N 0 0 437.456 -0.269 20 30 IBEDRN C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC(NC(=O)c3cc(C)on3)CC2)c1=O ZINC001318131001 1074154836 /nfs/dbraw/zinc/15/48/36/1074154836.db2.gz GTIWZKXKKWANGP-UHFFFAOYSA-N 0 0 430.465 -0.308 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)N2CCC(C(=O)N3CCCC3)CC2)C1=O ZINC001318164739 1074155989 /nfs/dbraw/zinc/15/59/89/1074155989.db2.gz ZPINPOPBQRGCQE-UHFFFAOYSA-N 0 0 434.449 -0.633 20 30 IBEDRN CC(=O)N1CCC(NC(=O)COC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC001318271405 1074157606 /nfs/dbraw/zinc/15/76/06/1074157606.db2.gz MCIILCLZFFOGRS-UHFFFAOYSA-N 0 0 436.490 -0.215 20 30 IBEDRN C#CCNC(=O)CN1CCCN(C(=O)CCc2c(C)nc(N3CCOCC3)[nH]c2=O)CC1 ZINC001318280436 1074158182 /nfs/dbraw/zinc/15/81/82/1074158182.db2.gz IMXLTFXPXJNPOF-UHFFFAOYSA-N 0 0 444.536 -0.456 20 30 IBEDRN C#CCN(C(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C)[C@H]1CCS(=O)(=O)C1 ZINC001318284973 1074158272 /nfs/dbraw/zinc/15/82/72/1074158272.db2.gz OIJWBUAPMJKIFU-AWEZNQCLSA-N 0 0 429.520 -0.692 20 30 IBEDRN C#CCN(C(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C)[C@@H]1CCS(=O)(=O)C1 ZINC001318284979 1074158299 /nfs/dbraw/zinc/15/82/99/1074158299.db2.gz OIJWBUAPMJKIFU-CQSZACIVSA-N 0 0 429.520 -0.692 20 30 IBEDRN N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)C3CCS(=O)(=O)CC3)CC2)cc1 ZINC001318286593 1074158305 /nfs/dbraw/zinc/15/83/05/1074158305.db2.gz LZJOEPGPZRIJIC-UHFFFAOYSA-N 0 0 447.560 -0.228 20 30 IBEDRN CS(=O)(=O)CCn1c(=O)c(=Cc2ccccn2)sc1=C(C#N)C(=O)N1CCCC1 ZINC001318294762 1074158746 /nfs/dbraw/zinc/15/87/46/1074158746.db2.gz FZOBVBUZMJNSKV-UHFFFAOYSA-N 0 0 432.527 -0.525 20 30 IBEDRN C#CCN(C(=O)C1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC001318342695 1074161390 /nfs/dbraw/zinc/16/13/90/1074161390.db2.gz SUYPTPHSIRZHOJ-INIZCTEOSA-N 0 0 442.563 -0.222 20 30 IBEDRN C#CCN(C(=O)C1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC001318342700 1074161346 /nfs/dbraw/zinc/16/13/46/1074161346.db2.gz SUYPTPHSIRZHOJ-MRXNPFEDSA-N 0 0 442.563 -0.222 20 30 IBEDRN O=C(NCCNC(=O)C1N=CC=CC1=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001318360976 1074162392 /nfs/dbraw/zinc/16/23/92/1074162392.db2.gz YGQUSFZPYSJDAS-HTXNQAPBSA-N 0 0 434.474 -0.036 20 30 IBEDRN O=C(NCCNC(=O)C1N=CC=CC1=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001318360977 1074162348 /nfs/dbraw/zinc/16/23/48/1074162348.db2.gz YGQUSFZPYSJDAS-ZPHPHTNESA-N 0 0 434.474 -0.036 20 30 IBEDRN O=C(CCNC(=O)NCCNC(=O)C1N=CC=CC1=O)N1CCN(c2ccccn2)CC1 ZINC001318406744 1074163408 /nfs/dbraw/zinc/16/34/08/1074163408.db2.gz IRYKVPYKHBVYJP-FMQUCBEESA-N 0 0 441.492 -0.054 20 30 IBEDRN O=C(CCNC(=O)NCCNC(=O)C1N=CC=CC1=O)N1CCN(c2ccccn2)CC1 ZINC001318406759 1074163491 /nfs/dbraw/zinc/16/34/91/1074163491.db2.gz IRYKVPYKHBVYJP-VXPUYCOJSA-N 0 0 441.492 -0.054 20 30 IBEDRN CN(C)C(=O)CN1CCN(C(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CC1 ZINC001318652789 1074172648 /nfs/dbraw/zinc/17/26/48/1074172648.db2.gz PMTAYYIDSXJNPG-KRWDZBQOSA-N 0 0 441.488 -0.313 20 30 IBEDRN CN(C)C(=O)CN1CCN(C(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CC1 ZINC001318652790 1074172644 /nfs/dbraw/zinc/17/26/44/1074172644.db2.gz PMTAYYIDSXJNPG-QGZVFWFLSA-N 0 0 441.488 -0.313 20 30 IBEDRN CCn1c(=O)c(=Cc2ccc(C#N)o2)sc1=C(C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC001318789173 1074176323 /nfs/dbraw/zinc/17/63/23/1074176323.db2.gz BZUSEYIJPLLPAO-UHFFFAOYSA-N 0 0 432.483 -0.846 20 30 IBEDRN CN(CCNS(C)(=O)=O)C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC001318789944 1074176355 /nfs/dbraw/zinc/17/63/55/1074176355.db2.gz ZDANHLIUKLJHCQ-UHFFFAOYSA-N 0 0 428.536 -0.033 20 30 IBEDRN N#CC(C(=O)N1CCS(=O)(=O)CC1)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1C1CC1 ZINC001318790154 1074176366 /nfs/dbraw/zinc/17/63/66/1074176366.db2.gz IXYHJXOKKJMUHP-UHFFFAOYSA-N 0 0 444.494 -0.531 20 30 IBEDRN C=CCn1c(C)nnc1S(=O)(=O)CC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC001318821889 1074177192 /nfs/dbraw/zinc/17/71/92/1074177192.db2.gz HYZGGCZSEMZYIL-CABCVRRESA-N 0 0 446.551 -0.259 20 30 IBEDRN C=CCn1c(C)nnc1S(=O)(=O)CC(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC001318821894 1074177161 /nfs/dbraw/zinc/17/71/61/1074177161.db2.gz HYZGGCZSEMZYIL-GJZGRUSLSA-N 0 0 446.551 -0.259 20 30 IBEDRN C=CCn1c(C)nnc1S(=O)(=O)CC(=O)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC001318821896 1074177140 /nfs/dbraw/zinc/17/71/40/1074177140.db2.gz HYZGGCZSEMZYIL-HUUCEWRRSA-N 0 0 446.551 -0.259 20 30 IBEDRN C=CCn1c(C)nnc1S(=O)(=O)CC(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC001318822397 1074177173 /nfs/dbraw/zinc/17/71/73/1074177173.db2.gz HYZGGCZSEMZYIL-LSDHHAIUSA-N 0 0 446.551 -0.259 20 30 IBEDRN CN(C(=O)CCNC(=O)C1N=CC=CC1=O)C1CCN(CC(=O)N2CCN(C)CC2)CC1 ZINC001318863173 1074178089 /nfs/dbraw/zinc/17/80/89/1074178089.db2.gz RFSSIZXYQZZFKV-DQRAZIAOSA-N 0 0 446.552 -0.400 20 30 IBEDRN CN(C(=O)CCNC(=O)C1N=CC=CC1=O)C1CCN(CC(=O)N2CCN(C)CC2)CC1 ZINC001318863174 1074178104 /nfs/dbraw/zinc/17/81/04/1074178104.db2.gz RFSSIZXYQZZFKV-QURGRASLSA-N 0 0 446.552 -0.400 20 30 IBEDRN O=C(CCNC(=O)C1N=CC=CC1=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC001318866263 1074178618 /nfs/dbraw/zinc/17/86/18/1074178618.db2.gz RBIPXQVFECYYNH-MRCUWXFGSA-N 0 0 441.492 -0.122 20 30 IBEDRN O=C(CCNC(=O)C1N=CC=CC1=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC001318866264 1074178532 /nfs/dbraw/zinc/17/85/32/1074178532.db2.gz RBIPXQVFECYYNH-QZQOTICOSA-N 0 0 441.492 -0.122 20 30 IBEDRN CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCN(CC#N)CC1 ZINC001318877336 1074178581 /nfs/dbraw/zinc/17/85/81/1074178581.db2.gz LKIMWHAMFXZSJA-INIZCTEOSA-N 0 0 428.536 -0.564 20 30 IBEDRN CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCN(CC#N)CC1 ZINC001318877337 1074178654 /nfs/dbraw/zinc/17/86/54/1074178654.db2.gz LKIMWHAMFXZSJA-MRXNPFEDSA-N 0 0 428.536 -0.564 20 30 IBEDRN Cn1c(=O)c(=Cc2cc(C#N)cs2)sc1=C(C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC001318936719 1074179751 /nfs/dbraw/zinc/17/97/51/1074179751.db2.gz YHQPSHCPFBNGLG-UHFFFAOYSA-N 0 0 434.524 -0.860 20 30 IBEDRN N#CCc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC001318952546 1074179944 /nfs/dbraw/zinc/17/99/44/1074179944.db2.gz ZNAVBUOSDLYGMF-INIZCTEOSA-N 0 0 447.560 -0.424 20 30 IBEDRN N#CCc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC001318952547 1074180114 /nfs/dbraw/zinc/18/01/14/1074180114.db2.gz ZNAVBUOSDLYGMF-MRXNPFEDSA-N 0 0 447.560 -0.424 20 30 IBEDRN C=CCn1cnnc1S(=O)(=O)CC(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC001319036209 1074182067 /nfs/dbraw/zinc/18/20/67/1074182067.db2.gz WLGPVKRRNWFCKH-KBPBESRZSA-N 0 0 432.524 -0.568 20 30 IBEDRN C=CCn1cnnc1S(=O)(=O)CC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC001319036210 1074181987 /nfs/dbraw/zinc/18/19/87/1074181987.db2.gz WLGPVKRRNWFCKH-KGLIPLIRSA-N 0 0 432.524 -0.568 20 30 IBEDRN C=CCn1cnnc1S(=O)(=O)CC(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC001319036211 1074182082 /nfs/dbraw/zinc/18/20/82/1074182082.db2.gz WLGPVKRRNWFCKH-UONOGXRCSA-N 0 0 432.524 -0.568 20 30 IBEDRN C=CCn1cnnc1S(=O)(=O)CC(=O)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC001319036212 1074182018 /nfs/dbraw/zinc/18/20/18/1074182018.db2.gz WLGPVKRRNWFCKH-ZIAGYGMSSA-N 0 0 432.524 -0.568 20 30 IBEDRN C[C@H](OC(=O)CCNC(=O)C1N=CC=CC1=O)C(=O)N1CCN(c2ncccn2)CC1 ZINC001319053290 1074182600 /nfs/dbraw/zinc/18/26/00/1074182600.db2.gz KBKANTMWSJRYCD-DNZUHHBVSA-N 0 0 428.449 -0.027 20 30 IBEDRN C[C@@H](OC(=O)CCNC(=O)C1N=CC=CC1=O)C(=O)N1CCN(c2ncccn2)CC1 ZINC001319053296 1074182536 /nfs/dbraw/zinc/18/25/36/1074182536.db2.gz KBKANTMWSJRYCD-IAFNSTAXSA-N 0 0 428.449 -0.027 20 30 IBEDRN C[C@@H](OC(=O)CCNC(=O)C1N=CC=CC1=O)C(=O)N1CCN(c2ncccn2)CC1 ZINC001319053297 1074182606 /nfs/dbraw/zinc/18/26/06/1074182606.db2.gz KBKANTMWSJRYCD-MGPWXQLLSA-N 0 0 428.449 -0.027 20 30 IBEDRN C[C@H](OC(=O)CCNC(=O)C1N=CC=CC1=O)C(=O)N1CCN(c2ncccn2)CC1 ZINC001319053298 1074182564 /nfs/dbraw/zinc/18/25/64/1074182564.db2.gz KBKANTMWSJRYCD-YWMAMYRUSA-N 0 0 428.449 -0.027 20 30 IBEDRN CNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCC3)c(=O)n1CCN1CCOCC1 ZINC001319175527 1074187224 /nfs/dbraw/zinc/18/72/24/1074187224.db2.gz IRYFYJSGFDPAMD-UHFFFAOYSA-N 0 0 438.553 -0.020 20 30 IBEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2cncs2)c(=O)n1Cc1ccon1 ZINC001319233565 1074187953 /nfs/dbraw/zinc/18/79/53/1074187953.db2.gz QSWHIXLGYRCQOV-UHFFFAOYSA-N 0 0 429.483 -0.236 20 30 IBEDRN C#CCNC(=O)CN1CCCN(C(=O)c2nc(C)n(-c3nc(C(F)(F)F)n[nH]3)n2)CC1 ZINC001319319381 1074190472 /nfs/dbraw/zinc/19/04/72/1074190472.db2.gz DYTCRPSEONOPQW-UHFFFAOYSA-N 0 0 439.402 -0.390 20 30 IBEDRN N#Cc1cccc(CNC(=O)CN2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)c1 ZINC001319384327 1074191807 /nfs/dbraw/zinc/19/18/07/1074191807.db2.gz IMVOHAQTULZBPT-GOSISDBHSA-N 0 0 433.534 -0.905 20 30 IBEDRN N#Cc1cccc(CNC(=O)CN2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)c1 ZINC001319384328 1074191909 /nfs/dbraw/zinc/19/19/09/1074191909.db2.gz IMVOHAQTULZBPT-SFHVURJKSA-N 0 0 433.534 -0.905 20 30 IBEDRN N#Cc1ccc(CNC(=O)CN2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC001319386832 1074192422 /nfs/dbraw/zinc/19/24/22/1074192422.db2.gz TYEOWNNMRUKZMV-GOSISDBHSA-N 0 0 433.534 -0.905 20 30 IBEDRN N#Cc1ccc(CNC(=O)CN2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC001319386833 1074192471 /nfs/dbraw/zinc/19/24/71/1074192471.db2.gz TYEOWNNMRUKZMV-SFHVURJKSA-N 0 0 433.534 -0.905 20 30 IBEDRN C[C@@H](C(=O)Nc1ccccc1C#N)N1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001319387883 1074192498 /nfs/dbraw/zinc/19/24/98/1074192498.db2.gz CYJBKAQFQSPHHB-DOTOQJQBSA-N 0 0 433.534 -0.194 20 30 IBEDRN C[C@H](C(=O)Nc1ccccc1C#N)N1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001319387884 1074192443 /nfs/dbraw/zinc/19/24/43/1074192443.db2.gz CYJBKAQFQSPHHB-NVXWUHKLSA-N 0 0 433.534 -0.194 20 30 IBEDRN C[C@@H](C(=O)Nc1ccccc1C#N)N1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC001319387885 1074192489 /nfs/dbraw/zinc/19/24/89/1074192489.db2.gz CYJBKAQFQSPHHB-RDJZCZTQSA-N 0 0 433.534 -0.194 20 30 IBEDRN C[C@H](C(=O)Nc1ccccc1C#N)N1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC001319387886 1074192475 /nfs/dbraw/zinc/19/24/75/1074192475.db2.gz CYJBKAQFQSPHHB-WBVHZDCISA-N 0 0 433.534 -0.194 20 30 IBEDRN N#Cc1ccccc1NC(=O)CCN1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC001319389890 1074192819 /nfs/dbraw/zinc/19/28/19/1074192819.db2.gz QDLSHDDLUJPOSR-KRWDZBQOSA-N 0 0 433.534 -0.192 20 30 IBEDRN N#Cc1ccccc1NC(=O)CCN1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001319389891 1074192738 /nfs/dbraw/zinc/19/27/38/1074192738.db2.gz QDLSHDDLUJPOSR-QGZVFWFLSA-N 0 0 433.534 -0.192 20 30 IBEDRN C#CCN1CCN(C(=O)Cn2c(=O)c3c(ncn3CCOC)n(CC(C)C)c2=O)CC1 ZINC001319399772 1074193364 /nfs/dbraw/zinc/19/33/64/1074193364.db2.gz CLRQLUURKBOLNP-UHFFFAOYSA-N 0 0 430.509 -0.561 20 30 IBEDRN CN(CCNS(C)(=O)=O)CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC001319418039 1074194007 /nfs/dbraw/zinc/19/40/07/1074194007.db2.gz XYBMTUFLVBSMLT-UHFFFAOYSA-N 0 0 436.494 -0.064 20 30 IBEDRN C=CCn1c(=O)c(=Cc2cncs2)sc1=C(C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC001319423025 1074194011 /nfs/dbraw/zinc/19/40/11/1074194011.db2.gz SOAYKBXYDWZTCK-UHFFFAOYSA-N 0 0 436.540 -0.688 20 30 IBEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(OC)c2)c(=O)n1CC(N)=O ZINC001319468312 1074194888 /nfs/dbraw/zinc/19/48/88/1074194888.db2.gz UHYHYMNOKNCBRP-UHFFFAOYSA-N 0 0 448.476 -0.801 20 30 IBEDRN COCCNC(=O)CN1CCN(CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)CC1 ZINC001319493520 1074195484 /nfs/dbraw/zinc/19/54/84/1074195484.db2.gz IBVMRKGOFQWRRJ-INIZCTEOSA-N 0 0 426.477 -0.108 20 30 IBEDRN COCCNC(=O)CN1CCN(CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)CC1 ZINC001319493522 1074195957 /nfs/dbraw/zinc/19/59/57/1074195957.db2.gz IBVMRKGOFQWRRJ-MRXNPFEDSA-N 0 0 426.477 -0.108 20 30 IBEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1C[C@@H]1CCOC1 ZINC001319497864 1074195947 /nfs/dbraw/zinc/19/59/47/1074195947.db2.gz RXOWGAGSJGKJSI-AWEZNQCLSA-N 0 0 431.518 -0.664 20 30 IBEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1C[C@H]1CCOC1 ZINC001319497865 1074195969 /nfs/dbraw/zinc/19/59/69/1074195969.db2.gz RXOWGAGSJGKJSI-CQSZACIVSA-N 0 0 431.518 -0.664 20 30 IBEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(OC)c2)c(=O)n1CC(=O)N(C)C ZINC001319571388 1074197509 /nfs/dbraw/zinc/19/75/09/1074197509.db2.gz GVYDMSAMSSTPEN-UHFFFAOYSA-N 0 0 444.488 -0.049 20 30 IBEDRN CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(OC)c2)c(=O)n1CC(N)=O ZINC001319574000 1074197988 /nfs/dbraw/zinc/19/79/88/1074197988.db2.gz UXJOSWGMJWLCJK-UHFFFAOYSA-N 0 0 432.477 -0.038 20 30 IBEDRN N#Cc1ccc(NC(=O)CCN2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC001319605038 1074198672 /nfs/dbraw/zinc/19/86/72/1074198672.db2.gz AHTCGKRYAFOCMR-GOSISDBHSA-N 0 0 433.534 -0.192 20 30 IBEDRN N#Cc1ccc(NC(=O)CCN2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC001319605039 1074198654 /nfs/dbraw/zinc/19/86/54/1074198654.db2.gz AHTCGKRYAFOCMR-SFHVURJKSA-N 0 0 433.534 -0.192 20 30 IBEDRN N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN4C(=O)NC(=O)[C@@H]4C3)CC2)cc1 ZINC001319615645 1074199039 /nfs/dbraw/zinc/19/90/39/1074199039.db2.gz MZKSKOFKRRKQDN-INIZCTEOSA-N 0 0 431.474 -0.278 20 30 IBEDRN N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN4C(=O)NC(=O)[C@H]4C3)CC2)cc1 ZINC001319615648 1074198962 /nfs/dbraw/zinc/19/89/62/1074198962.db2.gz MZKSKOFKRRKQDN-MRXNPFEDSA-N 0 0 431.474 -0.278 20 30 IBEDRN C#CCn1c(=O)c(=Cc2cnc(C)s2)sc1=C(C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC001319617267 1074199068 /nfs/dbraw/zinc/19/90/68/1074199068.db2.gz QNPVFLITCGUQRS-UHFFFAOYSA-N 0 0 448.551 -0.932 20 30 IBEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1Cc1ccon1 ZINC001319751787 1074201836 /nfs/dbraw/zinc/20/18/36/1074201836.db2.gz XADLNXACCDNHFZ-UHFFFAOYSA-N 0 0 428.474 -0.665 20 30 IBEDRN N#CC(C(=O)N1CCS(=O)(=O)CC1)=c1sc(=Cc2cncs2)c(=O)n1C1CC1 ZINC001319795017 1074202282 /nfs/dbraw/zinc/20/22/82/1074202282.db2.gz REMFFCKOZBSFAI-UHFFFAOYSA-N 0 0 436.540 -0.539 20 30 IBEDRN C#CCN(C(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC001319796486 1074202731 /nfs/dbraw/zinc/20/27/31/1074202731.db2.gz RJRWNSWVWNCCLK-HNNXBMFYSA-N 0 0 443.551 -0.595 20 30 IBEDRN C#CCN(C(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC001319796499 1074202666 /nfs/dbraw/zinc/20/26/66/1074202666.db2.gz RJRWNSWVWNCCLK-OAHLLOKOSA-N 0 0 443.551 -0.595 20 30 IBEDRN N#C[C@@H](C(=O)CN1CCN(CC(=O)N2CCOCC2)CC1)c1nc2ccccc2c(=O)[nH]1 ZINC001319877411 1074204351 /nfs/dbraw/zinc/20/43/51/1074204351.db2.gz CJOGARDDWSAKTN-KRWDZBQOSA-N 0 0 438.488 -0.012 20 30 IBEDRN N#C[C@H](C(=O)CN1CCN(CC(=O)N2CCOCC2)CC1)c1nc2ccccc2c(=O)[nH]1 ZINC001319877412 1074204339 /nfs/dbraw/zinc/20/43/39/1074204339.db2.gz CJOGARDDWSAKTN-QGZVFWFLSA-N 0 0 438.488 -0.012 20 30 IBEDRN C#CCN(C(=O)Cc1c(C)nn(-c2cncc3nnnn32)c1C)[C@H]1CCS(=O)(=O)C1 ZINC001320027184 1074207477 /nfs/dbraw/zinc/20/74/77/1074207477.db2.gz JMZGBVKXBMKZNK-AWEZNQCLSA-N 0 0 428.478 -0.487 20 30 IBEDRN C#CCN(C(=O)Cc1c(C)nn(-c2cncc3nnnn32)c1C)[C@@H]1CCS(=O)(=O)C1 ZINC001320027198 1074207405 /nfs/dbraw/zinc/20/74/05/1074207405.db2.gz JMZGBVKXBMKZNK-CQSZACIVSA-N 0 0 428.478 -0.487 20 30 IBEDRN O=C(NCC#CCNC(=O)c1cnc2n(c1=O)CCS2)c1cnc2n(c1=O)CCS2 ZINC001320091548 1074208405 /nfs/dbraw/zinc/20/84/05/1074208405.db2.gz IFDOUYHGGCYQLB-UHFFFAOYSA-N 0 0 444.498 -0.825 20 30 IBEDRN C#CCn1c(=O)c(=Cc2ccc(C)cn2)sc1=C(C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC001320230552 1074210901 /nfs/dbraw/zinc/21/09/01/1074210901.db2.gz VBQGFXNZTAJEFC-UHFFFAOYSA-N 0 0 442.522 -0.994 20 30 IBEDRN C#CCn1c(=O)c(=Cc2scnc2C)sc1=C(C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC001320230664 1074210707 /nfs/dbraw/zinc/21/07/07/1074210707.db2.gz WHHOROQXBCVVFE-UHFFFAOYSA-N 0 0 448.551 -0.932 20 30 IBEDRN N#Cc1cnn(-c2ccccc2)c1NC(=O)CN1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1 ZINC001320410833 1074213149 /nfs/dbraw/zinc/21/31/49/1074213149.db2.gz AYLQEWFSQWXMMM-MSOLQXFVSA-N 0 0 444.517 -0.542 20 30 IBEDRN N#Cc1cnn(-c2ccccc2)c1NC(=O)CN1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1 ZINC001320410834 1074213068 /nfs/dbraw/zinc/21/30/68/1074213068.db2.gz AYLQEWFSQWXMMM-QZTJIDSGSA-N 0 0 444.517 -0.542 20 30 IBEDRN N#Cc1cnn(-c2ccccc2)c1NC(=O)CN1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1 ZINC001320410835 1074213203 /nfs/dbraw/zinc/21/32/03/1074213203.db2.gz AYLQEWFSQWXMMM-ROUUACIJSA-N 0 0 444.517 -0.542 20 30 IBEDRN N#Cc1cnn(-c2ccccc2)c1NC(=O)CN1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1 ZINC001320410836 1074213092 /nfs/dbraw/zinc/21/30/92/1074213092.db2.gz AYLQEWFSQWXMMM-ZWKOTPCHSA-N 0 0 444.517 -0.542 20 30 IBEDRN CNC(=O)CC1S/C(=N\CCc2ccccn2)N(CC2CN(S(C)(=O)=O)C2)C1=O ZINC001320578023 1074214849 /nfs/dbraw/zinc/21/48/49/1074214849.db2.gz DGWNGGJDOWCMAQ-BAOKRACBSA-N 0 0 439.563 -0.048 20 30 IBEDRN CNC(=O)CC1S/C(=N/CCc2ccccn2)N(CC2CN(S(C)(=O)=O)C2)C1=O ZINC001320578024 1074215394 /nfs/dbraw/zinc/21/53/94/1074215394.db2.gz DGWNGGJDOWCMAQ-GALDBLJUSA-N 0 0 439.563 -0.048 20 30 IBEDRN CNC(=O)CC1S/C(=N/CCc2ccccn2)N(CC2CN(S(C)(=O)=O)C2)C1=O ZINC001320578025 1074215367 /nfs/dbraw/zinc/21/53/67/1074215367.db2.gz DGWNGGJDOWCMAQ-OBAOGOGRSA-N 0 0 439.563 -0.048 20 30 IBEDRN CNC(=O)CC1S/C(=N\CCc2ccccn2)N(CC2CN(S(C)(=O)=O)C2)C1=O ZINC001320578026 1074215412 /nfs/dbraw/zinc/21/54/12/1074215412.db2.gz DGWNGGJDOWCMAQ-XAIYEJPOSA-N 0 0 439.563 -0.048 20 30 IBEDRN N#Cc1ccc(N2C[C@H](C(=O)N3CCN(C(=O)CN4CCOCC4)CC3)CC2=O)cc1 ZINC001320611117 1074215691 /nfs/dbraw/zinc/21/56/91/1074215691.db2.gz HMEJQFPARBGUNI-GOSISDBHSA-N 0 0 425.489 -0.086 20 30 IBEDRN N#Cc1ccc(N2C[C@@H](C(=O)N3CCN(C(=O)CN4CCOCC4)CC3)CC2=O)cc1 ZINC001320611120 1074215742 /nfs/dbraw/zinc/21/57/42/1074215742.db2.gz HMEJQFPARBGUNI-SFHVURJKSA-N 0 0 425.489 -0.086 20 30 IBEDRN CN(CCCNC(=O)COC(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1)S(C)(=O)=O ZINC001320611181 1074215806 /nfs/dbraw/zinc/21/58/06/1074215806.db2.gz IKPNYFPHJHURRD-HNNXBMFYSA-N 0 0 436.490 -0.148 20 30 IBEDRN CN(CCCNC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1)S(C)(=O)=O ZINC001320611182 1074215797 /nfs/dbraw/zinc/21/57/97/1074215797.db2.gz IKPNYFPHJHURRD-OAHLLOKOSA-N 0 0 436.490 -0.148 20 30 IBEDRN Cn1c2ncn(CCOC(=O)[C@H]3CC(=O)N(c4ccc(C#N)cc4)C3)c2c(=O)n(C)c1=O ZINC001320672404 1074217483 /nfs/dbraw/zinc/21/74/83/1074217483.db2.gz CGOQDAGOEBICGX-AWEZNQCLSA-N 0 0 436.428 -0.098 20 30 IBEDRN Cn1c2ncn(CCOC(=O)[C@@H]3CC(=O)N(c4ccc(C#N)cc4)C3)c2c(=O)n(C)c1=O ZINC001320672414 1074217650 /nfs/dbraw/zinc/21/76/50/1074217650.db2.gz CGOQDAGOEBICGX-CQSZACIVSA-N 0 0 436.428 -0.098 20 30 IBEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCc3nnc4n3CCOC4)CC2)cc1 ZINC001320702750 1074217537 /nfs/dbraw/zinc/21/75/37/1074217537.db2.gz XIVFFKXOCGFDPL-UHFFFAOYSA-N 0 0 431.478 -0.104 20 30 IBEDRN COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)CCNC(=O)C2N=CC=CC2=O)C1 ZINC001320738311 1074218069 /nfs/dbraw/zinc/21/80/69/1074218069.db2.gz RFCSGILTRIKCQR-DNZUHHBVSA-N 0 0 428.511 -0.198 20 30 IBEDRN COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)CCNC(=O)C2N=CC=CC2=O)C1 ZINC001320738312 1074218077 /nfs/dbraw/zinc/21/80/77/1074218077.db2.gz RFCSGILTRIKCQR-IAFNSTAXSA-N 0 0 428.511 -0.198 20 30 IBEDRN COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)CCNC(=O)C2N=CC=CC2=O)C1 ZINC001320738313 1074218050 /nfs/dbraw/zinc/21/80/50/1074218050.db2.gz RFCSGILTRIKCQR-MGPWXQLLSA-N 0 0 428.511 -0.198 20 30 IBEDRN COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)CCNC(=O)C2N=CC=CC2=O)C1 ZINC001320738314 1074218066 /nfs/dbraw/zinc/21/80/66/1074218066.db2.gz RFCSGILTRIKCQR-YWMAMYRUSA-N 0 0 428.511 -0.198 20 30 IBEDRN C#CCCN1CCN(C(=O)Cn2nc(C(=O)N3CCN(CCC#C)CC3)ccc2=O)CC1 ZINC001320764752 1074219253 /nfs/dbraw/zinc/21/92/53/1074219253.db2.gz UNSGAEJXJXIQAL-UHFFFAOYSA-N 0 0 438.532 -0.808 20 30 IBEDRN Cn1ncc(Br)c1C=c1sc(=C(C#N)C#N)n(CCS(C)(=O)=O)c1=O ZINC001320875469 1074220542 /nfs/dbraw/zinc/22/05/42/1074220542.db2.gz KVQKKXSSMMGKEN-UHFFFAOYSA-N 0 0 442.320 -0.523 20 30 IBEDRN C#CCNS(=O)(=O)c1cccc(C(=O)NC2(C(=O)OC)CCS(=O)(=O)CC2)c1 ZINC001321210201 1074227058 /nfs/dbraw/zinc/22/70/58/1074227058.db2.gz SZUBEJTUHORRGK-UHFFFAOYSA-N 0 0 428.488 -0.552 20 30 IBEDRN CC(C)[C@H](NS(=O)(=O)N1CCO[C@@H](C#N)C1)C(=O)N(C)Cc1nnc2n1CCC2 ZINC001321232178 1074227479 /nfs/dbraw/zinc/22/74/79/1074227479.db2.gz BEOXLTSLHILIDT-BBRMVZONSA-N 0 0 425.515 -0.734 20 30 IBEDRN CC(C)[C@H](NS(=O)(=O)N1CCO[C@H](C#N)C1)C(=O)N(C)Cc1nnc2n1CCC2 ZINC001321232182 1074227571 /nfs/dbraw/zinc/22/75/71/1074227571.db2.gz BEOXLTSLHILIDT-CJNGLKHVSA-N 0 0 425.515 -0.734 20 30 IBEDRN CC(C)[C@@H](NS(=O)(=O)N1CCO[C@H](C#N)C1)C(=O)N(C)Cc1nnc2n1CCC2 ZINC001321232183 1074227566 /nfs/dbraw/zinc/22/75/66/1074227566.db2.gz BEOXLTSLHILIDT-CZUORRHYSA-N 0 0 425.515 -0.734 20 30 IBEDRN CC(C)[C@@H](NS(=O)(=O)N1CCO[C@@H](C#N)C1)C(=O)N(C)Cc1nnc2n1CCC2 ZINC001321232185 1074227464 /nfs/dbraw/zinc/22/74/64/1074227464.db2.gz BEOXLTSLHILIDT-XJKSGUPXSA-N 0 0 425.515 -0.734 20 30 IBEDRN Cc1nc(C#N)c(N2CCC(C(=O)N[C@H]3CS(=O)(=O)C[C@H]3N3CCOCC3)CC2)o1 ZINC001321271488 1074228361 /nfs/dbraw/zinc/22/83/61/1074228361.db2.gz IYWIPBVSPXGRJR-DLBZAZTESA-N 0 0 437.522 -0.315 20 30 IBEDRN Cc1nc(C#N)c(N2CCC(C(=O)N[C@@H]3CS(=O)(=O)C[C@H]3N3CCOCC3)CC2)o1 ZINC001321271489 1074228375 /nfs/dbraw/zinc/22/83/75/1074228375.db2.gz IYWIPBVSPXGRJR-IAGOWNOFSA-N 0 0 437.522 -0.315 20 30 IBEDRN Cc1nc(C#N)c(N2CCC(C(=O)N[C@H]3CS(=O)(=O)C[C@@H]3N3CCOCC3)CC2)o1 ZINC001321271490 1074228270 /nfs/dbraw/zinc/22/82/70/1074228270.db2.gz IYWIPBVSPXGRJR-IRXDYDNUSA-N 0 0 437.522 -0.315 20 30 IBEDRN Cc1nc(C#N)c(N2CCC(C(=O)N[C@@H]3CS(=O)(=O)C[C@@H]3N3CCOCC3)CC2)o1 ZINC001321271491 1074228293 /nfs/dbraw/zinc/22/82/93/1074228293.db2.gz IYWIPBVSPXGRJR-SJORKVTESA-N 0 0 437.522 -0.315 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1=O ZINC001321368906 1074231000 /nfs/dbraw/zinc/23/10/00/1074231000.db2.gz REXZDUAGSREXKK-UHFFFAOYSA-N 0 0 438.437 -0.414 20 30 IBEDRN C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)NCC(=O)OCC)CC1 ZINC001321400251 1074231090 /nfs/dbraw/zinc/23/10/90/1074231090.db2.gz PGXIVWRTRWYRBX-CYBMUJFWSA-N 0 0 442.542 -0.030 20 30 IBEDRN C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)NCC(=O)OCC)CC1 ZINC001321400252 1074230927 /nfs/dbraw/zinc/23/09/27/1074230927.db2.gz PGXIVWRTRWYRBX-ZDUSSCGKSA-N 0 0 442.542 -0.030 20 30 IBEDRN C#CCN(C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cn1)[C@H]1CCS(=O)(=O)C1 ZINC001321408350 1074231427 /nfs/dbraw/zinc/23/14/27/1074231427.db2.gz LCMUNFCKUMVIIK-AWEZNQCLSA-N 0 0 442.519 -0.243 20 30 IBEDRN C#CCN(C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cn1)[C@@H]1CCS(=O)(=O)C1 ZINC001321408351 1074231369 /nfs/dbraw/zinc/23/13/69/1074231369.db2.gz LCMUNFCKUMVIIK-CQSZACIVSA-N 0 0 442.519 -0.243 20 30 IBEDRN Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)N=C1NS(=O)(=O)c2ccccc21 ZINC001321413690 1074231320 /nfs/dbraw/zinc/23/13/20/1074231320.db2.gz QNWWAUXMOLUQNI-UHFFFAOYSA-N 0 0 438.487 -0.075 20 30 IBEDRN N#Cc1ccc(CS(=O)(=O)CC(=O)N[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cc1 ZINC001321539828 1074233048 /nfs/dbraw/zinc/23/30/48/1074233048.db2.gz PVZDCICAVNSMFT-DLBZAZTESA-N 0 0 441.531 -0.913 20 30 IBEDRN N#Cc1ccc(CS(=O)(=O)CC(=O)N[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cc1 ZINC001321539829 1074233053 /nfs/dbraw/zinc/23/30/53/1074233053.db2.gz PVZDCICAVNSMFT-IAGOWNOFSA-N 0 0 441.531 -0.913 20 30 IBEDRN N#Cc1ccc(CS(=O)(=O)CC(=O)N[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cc1 ZINC001321539830 1074233058 /nfs/dbraw/zinc/23/30/58/1074233058.db2.gz PVZDCICAVNSMFT-IRXDYDNUSA-N 0 0 441.531 -0.913 20 30 IBEDRN N#Cc1ccc(CS(=O)(=O)CC(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cc1 ZINC001321539831 1074233081 /nfs/dbraw/zinc/23/30/81/1074233081.db2.gz PVZDCICAVNSMFT-SJORKVTESA-N 0 0 441.531 -0.913 20 30 IBEDRN O=C(NCCNC(=O)C1N=CC=CC1=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC001321685423 1074234620 /nfs/dbraw/zinc/23/46/20/1074234620.db2.gz YZSFGMFDZBNWRB-HTXNQAPBSA-N 0 0 434.474 -0.036 20 30 IBEDRN O=C(NCCNC(=O)C1N=CC=CC1=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC001321685424 1074234575 /nfs/dbraw/zinc/23/45/75/1074234575.db2.gz YZSFGMFDZBNWRB-ZPHPHTNESA-N 0 0 434.474 -0.036 20 30 IBEDRN N#C[C@H]1CN(S(=O)(=O)N2CCC(C(=O)NCCCN3CCOCC3)CC2)CCO1 ZINC001321691000 1074235118 /nfs/dbraw/zinc/23/51/18/1074235118.db2.gz UQHRUGGSDQHPPX-KRWDZBQOSA-N 0 0 429.543 -0.994 20 30 IBEDRN N#C[C@@H]1CN(S(=O)(=O)N2CCC(C(=O)NCCCN3CCOCC3)CC2)CCO1 ZINC001321691001 1074235036 /nfs/dbraw/zinc/23/50/36/1074235036.db2.gz UQHRUGGSDQHPPX-QGZVFWFLSA-N 0 0 429.543 -0.994 20 30 IBEDRN Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 ZINC001321729342 1074235001 /nfs/dbraw/zinc/23/50/01/1074235001.db2.gz NHVNSPZKPFOIPR-UHFFFAOYSA-N 0 0 428.497 -0.165 20 30 IBEDRN O=C(NCCCN1CCN(c2ncccn2)CC1)NCCNC(=O)C1N=CC=CC1=O ZINC001321743752 1074235570 /nfs/dbraw/zinc/23/55/70/1074235570.db2.gz AGXIVWQBAGSARY-ISLYRVAYSA-N 0 0 428.497 -0.186 20 30 IBEDRN O=C(NCCCN1CCN(c2ncccn2)CC1)NCCNC(=O)C1N=CC=CC1=O ZINC001321743753 1074235519 /nfs/dbraw/zinc/23/55/19/1074235519.db2.gz AGXIVWQBAGSARY-ZCXUNETKSA-N 0 0 428.497 -0.186 20 30 IBEDRN C#CCNC(=O)C1CCN(C(=O)c2cc(S(N)(=O)=O)ccc2N2CCOCC2)CC1 ZINC001321792408 1074236269 /nfs/dbraw/zinc/23/62/69/1074236269.db2.gz JNBOHECGSMCNGL-UHFFFAOYSA-N 0 0 434.518 -0.228 20 30 IBEDRN C=CCn1c(-c2cnccn2)nnc1S(=O)(=O)[C@H](C)C(=O)N1CCN(C(C)=O)CC1 ZINC001321834700 1074237138 /nfs/dbraw/zinc/23/71/38/1074237138.db2.gz XIDGXEPRMSEZSH-CYBMUJFWSA-N 0 0 433.494 -0.226 20 30 IBEDRN C=CCn1c(-c2cnccn2)nnc1S(=O)(=O)[C@@H](C)C(=O)N1CCN(C(C)=O)CC1 ZINC001321834701 1074237139 /nfs/dbraw/zinc/23/71/39/1074237139.db2.gz XIDGXEPRMSEZSH-ZDUSSCGKSA-N 0 0 433.494 -0.226 20 30 IBEDRN O=C(NCCNS(=O)(=O)c1ccc(C(=O)N2CCOCC2)cc1)C1N=CC=CC1=O ZINC001321893835 1074237700 /nfs/dbraw/zinc/23/77/00/1074237700.db2.gz BTXNRCGUMNTSJK-ISLYRVAYSA-N 0 0 434.474 -0.036 20 30 IBEDRN O=C(NCCNS(=O)(=O)c1ccc(C(=O)N2CCOCC2)cc1)C1N=CC=CC1=O ZINC001321893836 1074238064 /nfs/dbraw/zinc/23/80/64/1074238064.db2.gz BTXNRCGUMNTSJK-ZCXUNETKSA-N 0 0 434.474 -0.036 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)NC2CCN(S(=O)(=O)C3CCOCC3)CC2)C1=O ZINC001321954755 1074239440 /nfs/dbraw/zinc/23/94/40/1074239440.db2.gz SJBUOYAKRPSTGG-UHFFFAOYSA-N 0 0 442.494 -0.947 20 30 IBEDRN C=CCn1c(-c2cnccn2)nnc1S(=O)(=O)CC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC001322049890 1074240654 /nfs/dbraw/zinc/24/06/54/1074240654.db2.gz BUCDEQKVYCFLRJ-UHFFFAOYSA-N 0 0 445.505 -0.224 20 30 IBEDRN N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccc3c(c2)CCC3)c(=O)n1CC(N)=O ZINC001322155993 1074242372 /nfs/dbraw/zinc/24/23/72/1074242372.db2.gz FCQBFAHDZOAASB-UHFFFAOYSA-N 0 0 438.509 -0.754 20 30 IBEDRN Cn1c(=O)c(=Cc2ccc3c(c2)CCC3)sc1=C(C#N)C(=O)NCCN1CCOCC1 ZINC001322156186 1074242216 /nfs/dbraw/zinc/24/22/16/1074242216.db2.gz FKJUVLZZUKLWQH-UHFFFAOYSA-N 0 0 438.553 -0.113 20 30 IBEDRN O=C(N1CCOCC1)N1CCN(CC#CCN2CCN(C(=O)N3CCOCC3)CC2)CC1 ZINC001322277826 1074243930 /nfs/dbraw/zinc/24/39/30/1074243930.db2.gz OYWRJQIBRPBQQZ-UHFFFAOYSA-N 0 0 448.568 -0.871 20 30 IBEDRN C[C@H](C(=O)NC[C@H]1CCn2ncc(C(=O)N3CCN(C)CC3)c2C1)n1cnc(C#N)n1 ZINC001322487576 1074246447 /nfs/dbraw/zinc/24/64/47/1074246447.db2.gz IWMGKKRDCINUIG-CABCVRRESA-N 0 0 425.497 -0.326 20 30 IBEDRN C[C@@H](C(=O)NC[C@H]1CCn2ncc(C(=O)N3CCN(C)CC3)c2C1)n1cnc(C#N)n1 ZINC001322487577 1074246284 /nfs/dbraw/zinc/24/62/84/1074246284.db2.gz IWMGKKRDCINUIG-GJZGRUSLSA-N 0 0 425.497 -0.326 20 30 IBEDRN C[C@H](C(=O)NC[C@@H]1CCn2ncc(C(=O)N3CCN(C)CC3)c2C1)n1cnc(C#N)n1 ZINC001322487578 1074246414 /nfs/dbraw/zinc/24/64/14/1074246414.db2.gz IWMGKKRDCINUIG-HUUCEWRRSA-N 0 0 425.497 -0.326 20 30 IBEDRN C[C@@H](C(=O)NC[C@@H]1CCn2ncc(C(=O)N3CCN(C)CC3)c2C1)n1cnc(C#N)n1 ZINC001322487579 1074246730 /nfs/dbraw/zinc/24/67/30/1074246730.db2.gz IWMGKKRDCINUIG-LSDHHAIUSA-N 0 0 425.497 -0.326 20 30 IBEDRN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@H](C)C(=O)N1CCS(=O)(=O)CC1 ZINC001322496624 1074246808 /nfs/dbraw/zinc/24/68/08/1074246808.db2.gz UZXCVXXHXNQTLL-CYBMUJFWSA-N 0 0 432.506 -0.088 20 30 IBEDRN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@@H](C)C(=O)N1CCS(=O)(=O)CC1 ZINC001322496625 1074246804 /nfs/dbraw/zinc/24/68/04/1074246804.db2.gz UZXCVXXHXNQTLL-ZDUSSCGKSA-N 0 0 432.506 -0.088 20 30 IBEDRN CS(=O)(=O)CCn1c(=O)c(=Cc2ccc(S(C)(=O)=O)cc2)sc1=C(C#N)C#N ZINC001322531851 1074247197 /nfs/dbraw/zinc/24/71/97/1074247197.db2.gz XLKYLAUDDCUXGR-UHFFFAOYSA-N 0 0 437.524 -0.615 20 30 IBEDRN CN(CCOC(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1)S(=O)(=O)N1CCOCC1 ZINC001322600007 1074248507 /nfs/dbraw/zinc/24/85/07/1074248507.db2.gz IYAGCLKQUWINML-INIZCTEOSA-N 0 0 436.490 -0.037 20 30 IBEDRN CN(CCOC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1)S(=O)(=O)N1CCOCC1 ZINC001322600008 1074248429 /nfs/dbraw/zinc/24/84/29/1074248429.db2.gz IYAGCLKQUWINML-MRXNPFEDSA-N 0 0 436.490 -0.037 20 30 IBEDRN CS(=O)(=O)N(CC(F)(F)F)C1CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)CC1 ZINC001322643881 1074249328 /nfs/dbraw/zinc/24/93/28/1074249328.db2.gz FNGZVNKTGYDPJL-GFCCVEGCSA-N 0 0 434.462 -0.256 20 30 IBEDRN CS(=O)(=O)N(CC(F)(F)F)C1CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)CC1 ZINC001322643907 1074249284 /nfs/dbraw/zinc/24/92/84/1074249284.db2.gz FNGZVNKTGYDPJL-LBPRGKRZSA-N 0 0 434.462 -0.256 20 30 IBEDRN C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(S(=O)(=O)CCCOC)CC1 ZINC001322676129 1074249633 /nfs/dbraw/zinc/24/96/33/1074249633.db2.gz RFDVIBTUHFPWHK-HNNXBMFYSA-N 0 0 447.583 -0.146 20 30 IBEDRN C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(S(=O)(=O)CCCOC)CC1 ZINC001322676131 1074249622 /nfs/dbraw/zinc/24/96/22/1074249622.db2.gz RFDVIBTUHFPWHK-OAHLLOKOSA-N 0 0 447.583 -0.146 20 30 IBEDRN N#CC(C(=O)N1CCS(=O)(=O)CC1)=c1sc(=Cc2ccccn2)c(=O)n1C1CC1 ZINC001322767027 1074250284 /nfs/dbraw/zinc/25/02/84/1074250284.db2.gz NXAKQNNDAOGJAQ-UHFFFAOYSA-N 0 0 430.511 -0.600 20 30 IBEDRN CN1CCN(S(=O)(=O)N2CCN(C(=O)NCc3cccc(OCC#N)c3)CC2)CC1 ZINC001322807635 1074250948 /nfs/dbraw/zinc/25/09/48/1074250948.db2.gz QNWFOECNGBYDKR-UHFFFAOYSA-N 0 0 436.538 -0.092 20 30 IBEDRN CS(=O)(=O)Cc1noc(CN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 ZINC001322838819 1074251555 /nfs/dbraw/zinc/25/15/55/1074251555.db2.gz YHQXAUOBBRQHHW-UHFFFAOYSA-N 0 0 425.492 -0.008 20 30 IBEDRN CN(C)C(=O)CN1CCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 ZINC001322838971 1074251584 /nfs/dbraw/zinc/25/15/84/1074251584.db2.gz JLNHEFABTXTEFQ-KRWDZBQOSA-N 0 0 426.477 -0.004 20 30 IBEDRN CN(C)C(=O)CN1CCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 ZINC001322838977 1074251453 /nfs/dbraw/zinc/25/14/53/1074251453.db2.gz JLNHEFABTXTEFQ-QGZVFWFLSA-N 0 0 426.477 -0.004 20 30 IBEDRN Cc1nn(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c(=O)c(CO)c1C ZINC001322875577 1074252406 /nfs/dbraw/zinc/25/24/06/1074252406.db2.gz MDHXMPGJIAHYBN-UHFFFAOYSA-N 0 0 445.501 -0.243 20 30 IBEDRN Cn1c(=O)c(=Cc2ccc3c(c2)CCC3)sc1=C(C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC001323284043 1074255962 /nfs/dbraw/zinc/25/59/62/1074255962.db2.gz YJIIJIUGCKFYEE-UHFFFAOYSA-N 0 0 443.550 -0.304 20 30 IBEDRN CN1CCN(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(CC#N)cc3)CC2)CC1 ZINC001323462096 1074257548 /nfs/dbraw/zinc/25/75/48/1074257548.db2.gz YUXKJTDRZQONHA-UHFFFAOYSA-N 0 0 427.552 -0.449 20 30 IBEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)CO[C@H]2CCOC2)CC1 ZINC001323510443 1074258016 /nfs/dbraw/zinc/25/80/16/1074258016.db2.gz HCOGXWOHNSSYOS-INIZCTEOSA-N 0 0 437.474 -0.260 20 30 IBEDRN N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)CO[C@@H]2CCOC2)CC1 ZINC001323510444 1074257903 /nfs/dbraw/zinc/25/79/03/1074257903.db2.gz HCOGXWOHNSSYOS-MRXNPFEDSA-N 0 0 437.474 -0.260 20 30 IBEDRN Cn1c(=O)c(=Cc2ccc(C#N)s2)sc1=C(C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC001323529425 1074258028 /nfs/dbraw/zinc/25/80/28/1074258028.db2.gz FAVIFHFEFDKQSP-UHFFFAOYSA-N 0 0 434.524 -0.860 20 30 IBEDRN O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCC(N2CCS(=O)(=O)CC2)CC1 ZINC001323565352 1074258869 /nfs/dbraw/zinc/25/88/69/1074258869.db2.gz CCYZOJQPDJUQLA-UHFFFAOYSA-N 0 0 440.547 -0.554 20 30 IBEDRN CN(C)S(=O)(=O)N(CC#N)Cc1ccc(CN(CC#N)S(=O)(=O)N(C)C)cc1 ZINC001323915918 1074261152 /nfs/dbraw/zinc/26/11/52/1074261152.db2.gz DZTRNEKPTKMXPX-UHFFFAOYSA-N 0 0 428.540 -0.049 20 30 IBEDRN Cc1c(NC(=O)CSCC(=O)NCC(=O)NCC#N)c(=O)n(-c2ccccc2)n1C ZINC001323967673 1074262097 /nfs/dbraw/zinc/26/20/97/1074262097.db2.gz GDNKWEISVSMEJH-UHFFFAOYSA-N 0 0 430.490 -0.088 20 30 IBEDRN COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1Cc1ccon1 ZINC001323974800 1074262178 /nfs/dbraw/zinc/26/21/78/1074262178.db2.gz QATUCNVCQZIVDR-GFCCVEGCSA-N 0 0 428.474 -0.666 20 30 IBEDRN COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1Cc1ccon1 ZINC001323974801 1074262172 /nfs/dbraw/zinc/26/21/72/1074262172.db2.gz QATUCNVCQZIVDR-LBPRGKRZSA-N 0 0 428.474 -0.666 20 30 IBEDRN Cn1cc(C=c2sc(=C(C#N)C#N)n(CCNS(C)(=O)=O)c2=O)c(C(F)F)n1 ZINC001324026423 1074262667 /nfs/dbraw/zinc/26/26/67/1074262667.db2.gz ZIAJCWVFGHCHGZ-UHFFFAOYSA-N 0 0 428.446 -0.843 20 30 IBEDRN Cc1c(I)cn(CC(=O)N[C@@H]2CCS(=O)(=O)C2)c(=O)c1C#N ZINC001324144910 1074264462 /nfs/dbraw/zinc/26/44/62/1074264462.db2.gz HKOGLQPCSHVDKA-SECBINFHSA-N 0 0 435.243 -0.064 20 30 IBEDRN Cc1c(I)cn(CC(=O)N[C@H]2CCS(=O)(=O)C2)c(=O)c1C#N ZINC001324144923 1074264498 /nfs/dbraw/zinc/26/44/98/1074264498.db2.gz HKOGLQPCSHVDKA-VIFPVBQESA-N 0 0 435.243 -0.064 20 30 IBEDRN C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001324296116 1074266655 /nfs/dbraw/zinc/26/66/55/1074266655.db2.gz ASLKFUWIFXPBMZ-DLBZAZTESA-N 0 0 439.582 -0.362 20 30 IBEDRN C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001324296117 1074266717 /nfs/dbraw/zinc/26/67/17/1074266717.db2.gz ASLKFUWIFXPBMZ-IAGOWNOFSA-N 0 0 439.582 -0.362 20 30 IBEDRN C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC001324296118 1074266712 /nfs/dbraw/zinc/26/67/12/1074266712.db2.gz ASLKFUWIFXPBMZ-IRXDYDNUSA-N 0 0 439.582 -0.362 20 30 IBEDRN C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC001324296119 1074266709 /nfs/dbraw/zinc/26/67/09/1074266709.db2.gz ASLKFUWIFXPBMZ-SJORKVTESA-N 0 0 439.582 -0.362 20 30 IBEDRN N#Cc1ccc(N2CC[C@H](N3CCN(CC(=O)N[C@H]4CCS(=O)(=O)C4)CC3)C2=O)cc1 ZINC001324298738 1074266762 /nfs/dbraw/zinc/26/67/62/1074266762.db2.gz OLYRKOGCJDIWQU-HKUYNNGSSA-N 0 0 445.545 -0.416 20 30 IBEDRN N#Cc1ccc(N2CC[C@@H](N3CCN(CC(=O)N[C@@H]4CCS(=O)(=O)C4)CC3)C2=O)cc1 ZINC001324298742 1074266769 /nfs/dbraw/zinc/26/67/69/1074266769.db2.gz OLYRKOGCJDIWQU-IEBWSBKVSA-N 0 0 445.545 -0.416 20 30 IBEDRN N#Cc1ccc(N2CC[C@H](N3CCN(CC(=O)N[C@@H]4CCS(=O)(=O)C4)CC3)C2=O)cc1 ZINC001324298743 1074266672 /nfs/dbraw/zinc/26/66/72/1074266672.db2.gz OLYRKOGCJDIWQU-MJGOQNOKSA-N 0 0 445.545 -0.416 20 30 IBEDRN N#Cc1ccc(N2CC[C@@H](N3CCN(CC(=O)N[C@H]4CCS(=O)(=O)C4)CC3)C2=O)cc1 ZINC001324298744 1074266746 /nfs/dbraw/zinc/26/67/46/1074266746.db2.gz OLYRKOGCJDIWQU-PKOBYXMFSA-N 0 0 445.545 -0.416 20 30 IBEDRN N#CCCN(C(=O)CN1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1)c1ccccc1 ZINC001324300103 1074267232 /nfs/dbraw/zinc/26/72/32/1074267232.db2.gz VWEOKKPEMHXMOU-GOSISDBHSA-N 0 0 447.561 -0.146 20 30 IBEDRN N#CCCN(C(=O)CN1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1)c1ccccc1 ZINC001324300104 1074267136 /nfs/dbraw/zinc/26/71/36/1074267136.db2.gz VWEOKKPEMHXMOU-SFHVURJKSA-N 0 0 447.561 -0.146 20 30 IBEDRN C[C@@](C#N)(NC(=O)CN1CCN(CC(=O)N[C@](C)(C#N)C2CC2)C[C@@H]1CCO)C1CC1 ZINC001324401576 1074268868 /nfs/dbraw/zinc/26/88/68/1074268868.db2.gz OYXSYRZHLBKAAP-BWAGFHJFSA-N 0 0 430.553 -0.028 20 30 IBEDRN C[C@@](C#N)(NC(=O)CN1CCN(CC(=O)N[C@](C)(C#N)C2CC2)C[C@H]1CCO)C1CC1 ZINC001324401580 1074268919 /nfs/dbraw/zinc/26/89/19/1074268919.db2.gz OYXSYRZHLBKAAP-QIJUGHKUSA-N 0 0 430.553 -0.028 20 30 IBEDRN C[C@](C#N)(NC(=O)CN1CCN(CC(=O)N[C@](C)(C#N)C2CC2)[C@H](CCO)C1)C1CC1 ZINC001324401582 1074268891 /nfs/dbraw/zinc/26/88/91/1074268891.db2.gz OYXSYRZHLBKAAP-STZQEDGTSA-N 0 0 430.553 -0.028 20 30 IBEDRN C[C@](C#N)(NC(=O)CN1CCN(CC(=O)N[C@](C)(C#N)C2CC2)[C@@H](CCO)C1)C1CC1 ZINC001324401583 1074269075 /nfs/dbraw/zinc/26/90/75/1074269075.db2.gz OYXSYRZHLBKAAP-VLCRHTCISA-N 0 0 430.553 -0.028 20 30 IBEDRN COc1cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CC(N)=O)c2=O)ccc1F ZINC001324410001 1074268880 /nfs/dbraw/zinc/26/88/80/1074268880.db2.gz WHYJVUQMOBUXIZ-UHFFFAOYSA-N 0 0 430.461 -0.332 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(OC)c2)c(=O)n1CCOC ZINC001324410032 1074269052 /nfs/dbraw/zinc/26/90/52/1074269052.db2.gz WQQPKAZEVZWQSB-UHFFFAOYSA-N 0 0 435.477 -0.030 20 30 IBEDRN CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)[C@H]1CC(=O)N(c3ccc(C#N)cc3)C1)C2 ZINC001324418222 1074268922 /nfs/dbraw/zinc/26/89/22/1074268922.db2.gz ZHWJMKUEQWOQMN-HNNXBMFYSA-N 0 0 437.460 -0.600 20 30 IBEDRN CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)[C@@H]1CC(=O)N(c3ccc(C#N)cc3)C1)C2 ZINC001324418223 1074269040 /nfs/dbraw/zinc/26/90/40/1074269040.db2.gz ZHWJMKUEQWOQMN-OAHLLOKOSA-N 0 0 437.460 -0.600 20 30 IBEDRN CN(C)S(=O)(=O)N(CC#N)CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC001324570950 1074270720 /nfs/dbraw/zinc/27/07/20/1074270720.db2.gz LLQNPVUUKFKDGO-UHFFFAOYSA-N 0 0 429.524 -0.849 20 30 IBEDRN N#Cc1ccc(N2C[C@@H](C(=O)N3CCN(S(=O)(=O)N4CCOCC4)CC3)CC2=O)cc1 ZINC001324577916 1074270799 /nfs/dbraw/zinc/27/07/99/1074270799.db2.gz MQMGSQIDCJDHQE-KRWDZBQOSA-N 0 0 447.517 -0.368 20 30 IBEDRN N#Cc1ccc(N2C[C@H](C(=O)N3CCN(S(=O)(=O)N4CCOCC4)CC3)CC2=O)cc1 ZINC001324577919 1074270896 /nfs/dbraw/zinc/27/08/96/1074270896.db2.gz MQMGSQIDCJDHQE-QGZVFWFLSA-N 0 0 447.517 -0.368 20 30 IBEDRN Cn1cc(C=c2sc(=C(C#N)C(=O)N3CCS(=O)(=O)CC3)n(C3CCC3)c2=O)cn1 ZINC001324885174 1074274228 /nfs/dbraw/zinc/27/42/28/1074274228.db2.gz XOFQDFMNEMWBDP-UHFFFAOYSA-N 0 0 447.542 -0.872 20 30 IBEDRN C#CCNC(=O)C1CCN(C(=O)Cn2cnc3c(c(Br)nn3C)c2=O)CC1 ZINC001325231684 1074277543 /nfs/dbraw/zinc/27/75/43/1074277543.db2.gz BIVYUCMASNLXFL-UHFFFAOYSA-N 0 0 435.282 -0.120 20 30 IBEDRN C=Cn1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCS(C)(=O)=O)c2=O)cn1 ZINC001326506989 1074283349 /nfs/dbraw/zinc/28/33/49/1074283349.db2.gz ZREAHRLQVCHKIZ-UHFFFAOYSA-N 0 0 433.515 -0.967 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 ZINC001326616202 1074283792 /nfs/dbraw/zinc/28/37/92/1074283792.db2.gz VEJRKKFDFCHPRP-GOSISDBHSA-N 0 0 436.472 -0.343 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 ZINC001326616205 1074283851 /nfs/dbraw/zinc/28/38/51/1074283851.db2.gz VEJRKKFDFCHPRP-SFHVURJKSA-N 0 0 436.472 -0.343 20 30 IBEDRN C=CCN(C(=O)COCC(=O)N(CC=C)[C@H]1CCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 ZINC001326762772 1074284348 /nfs/dbraw/zinc/28/43/48/1074284348.db2.gz NWIVJSZUKJNXQU-HOTGVXAUSA-N 0 0 448.563 -0.594 20 30 IBEDRN C=CCN(C(=O)COCC(=O)N(CC=C)[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001326762775 1074284360 /nfs/dbraw/zinc/28/43/60/1074284360.db2.gz NWIVJSZUKJNXQU-HZPDHXFCSA-N 0 0 448.563 -0.594 20 30 IBEDRN C=CCN(C(=O)COCC(=O)N(CC=C)[C@H]1CCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001326762777 1074284825 /nfs/dbraw/zinc/28/48/25/1074284825.db2.gz NWIVJSZUKJNXQU-IYBDPMFKSA-N 0 0 448.563 -0.594 20 30 IBEDRN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(-c3cnn(C)c3)cc2)c(=O)n1CC(N)=O ZINC001326874709 1074285202 /nfs/dbraw/zinc/28/52/02/1074285202.db2.gz WIKSVGWUGNVCFV-UHFFFAOYSA-N 0 0 448.508 -0.399 20 30 IBEDRN C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)N2CCOCC2)CC1 ZINC001327102031 1074286678 /nfs/dbraw/zinc/28/66/78/1074286678.db2.gz LWIZVZZTZZKWAI-INIZCTEOSA-N 0 0 438.554 -0.653 20 30 IBEDRN C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)N2CCOCC2)CC1 ZINC001327102032 1074286590 /nfs/dbraw/zinc/28/65/90/1074286590.db2.gz LWIZVZZTZZKWAI-MRXNPFEDSA-N 0 0 438.554 -0.653 20 30 IBEDRN C#CCNC(=O)C1CCN(C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CC1 ZINC001327144457 1074287159 /nfs/dbraw/zinc/28/71/59/1074287159.db2.gz DAPZBULKIZVHFA-UHFFFAOYSA-N 0 0 432.502 -0.591 20 30 IBEDRN C#CCNC(=O)C1CCN(C(=O)NC2CCN(S(=O)(=O)c3cnn(C)c3)CC2)CC1 ZINC001327166739 1074287241 /nfs/dbraw/zinc/28/72/41/1074287241.db2.gz DJVVVHXIGGJAGG-UHFFFAOYSA-N 0 0 436.538 -0.256 20 30 IBEDRN C#CCNC(=O)C1CCN(C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)CC1 ZINC001327171018 1074287145 /nfs/dbraw/zinc/28/71/45/1074287145.db2.gz NTQUUVIUGFWMKK-UHFFFAOYSA-N 0 0 432.502 -0.591 20 30 IBEDRN CS(=O)(=O)CCN1CCC(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC001327343168 1074287535 /nfs/dbraw/zinc/28/75/35/1074287535.db2.gz MKVWCDRFVBJECR-UHFFFAOYSA-N 0 0 428.536 -0.650 20 30 IBEDRN N#CC(C(=O)N1CCS(=O)(=O)CC1)=c1sc(=Cc2cscn2)c(=O)n1C1CC1 ZINC001327993437 1074289791 /nfs/dbraw/zinc/28/97/91/1074289791.db2.gz JMZVIQBYDSDKBJ-UHFFFAOYSA-N 0 0 436.540 -0.539 20 30 IBEDRN C=CCn1c(=O)c(=Cc2cscn2)sc1=C(C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC001327993483 1074289782 /nfs/dbraw/zinc/28/97/82/1074289782.db2.gz LFZXXUDNLWPNCQ-UHFFFAOYSA-N 0 0 436.540 -0.688 20 30 IBEDRN C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(S(=O)(=O)N(C)C)CC1 ZINC001328663570 1074291725 /nfs/dbraw/zinc/29/17/25/1074291725.db2.gz FOQAGSYLBZULAD-AWEZNQCLSA-N 0 0 432.572 -0.315 20 30 IBEDRN C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(S(=O)(=O)N(C)C)CC1 ZINC001328663571 1074291663 /nfs/dbraw/zinc/29/16/63/1074291663.db2.gz FOQAGSYLBZULAD-CQSZACIVSA-N 0 0 432.572 -0.315 20 30 IBEDRN CN(C)S(=O)(=O)N1CCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 ZINC001328757223 1074291751 /nfs/dbraw/zinc/29/17/51/1074291751.db2.gz QRDYLNYVFVJKGG-INIZCTEOSA-N 0 0 448.505 -0.286 20 30 IBEDRN CN(C)S(=O)(=O)N1CCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 ZINC001328757224 1074291747 /nfs/dbraw/zinc/29/17/47/1074291747.db2.gz QRDYLNYVFVJKGG-MRXNPFEDSA-N 0 0 448.505 -0.286 20 30 IBEDRN C#CCNC(=O)CN1CCN(CC(=O)N2CCC(C(=O)N3CCC[C@H](C)C3)CC2)CC1 ZINC001329865758 1074294099 /nfs/dbraw/zinc/29/40/99/1074294099.db2.gz FSNDITLOLSSBSH-IBGZPJMESA-N 0 0 431.581 -0.150 20 30 IBEDRN C#CCNC(=O)CN1CCN(CC(=O)N2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)CC1 ZINC001329865759 1074294010 /nfs/dbraw/zinc/29/40/10/1074294010.db2.gz FSNDITLOLSSBSH-LJQANCHMSA-N 0 0 431.581 -0.150 20 30 IBEDRN C#CCNC(=O)CN1CCN(CC(=O)N2CCC(C(=O)N3CCCCCC3)CC2)CC1 ZINC001329868448 1074293966 /nfs/dbraw/zinc/29/39/66/1074293966.db2.gz ULGSDKJIOZABDX-UHFFFAOYSA-N 0 0 431.581 -0.005 20 30 IBEDRN COCCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCC3)c(=O)n1CC(N)=O ZINC001330068642 1074294682 /nfs/dbraw/zinc/29/46/82/1074294682.db2.gz DYPGGIHQCKFMHY-UHFFFAOYSA-N 0 0 426.498 -0.851 20 30 IBEDRN CN(C[C@@H](O)CN1CCOCC1)C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O ZINC001331363773 1074297870 /nfs/dbraw/zinc/29/78/70/1074297870.db2.gz KEQKWTKMLCHXON-MSOLQXFVSA-N 0 0 429.477 -0.085 20 30 IBEDRN CN(C[C@@H](O)CN1CCOCC1)C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O ZINC001331363793 1074298053 /nfs/dbraw/zinc/29/80/53/1074298053.db2.gz KEQKWTKMLCHXON-QZTJIDSGSA-N 0 0 429.477 -0.085 20 30 IBEDRN CN(C[C@H](O)CN1CCOCC1)C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O ZINC001331363795 1074297970 /nfs/dbraw/zinc/29/79/70/1074297970.db2.gz KEQKWTKMLCHXON-ROUUACIJSA-N 0 0 429.477 -0.085 20 30 IBEDRN CN(C[C@H](O)CN1CCOCC1)C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O ZINC001331363798 1074297908 /nfs/dbraw/zinc/29/79/08/1074297908.db2.gz KEQKWTKMLCHXON-ZWKOTPCHSA-N 0 0 429.477 -0.085 20 30 IBEDRN C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(C(=O)N2CCOCC2)CC1 ZINC001333398807 1074300204 /nfs/dbraw/zinc/30/02/04/1074300204.db2.gz UHUWEHXNZTWXQY-HNNXBMFYSA-N 0 0 435.506 -0.179 20 30 IBEDRN C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(C(=O)N2CCOCC2)CC1 ZINC001333398808 1074300097 /nfs/dbraw/zinc/30/00/97/1074300097.db2.gz UHUWEHXNZTWXQY-OAHLLOKOSA-N 0 0 435.506 -0.179 20 30 IBEDRN Cc1nc(S(=O)(=O)N2CCN(C(=O)CCNC(=O)C3N=CC=CC3=O)CC2)cn1C ZINC001333523513 1074300298 /nfs/dbraw/zinc/30/02/98/1074300298.db2.gz VODJAGYZLRMODV-ISLYRVAYSA-N 0 0 436.494 -0.522 20 30 IBEDRN Cc1nc(S(=O)(=O)N2CCN(C(=O)CCNC(=O)C3N=CC=CC3=O)CC2)cn1C ZINC001333523516 1074300287 /nfs/dbraw/zinc/30/02/87/1074300287.db2.gz VODJAGYZLRMODV-ZCXUNETKSA-N 0 0 436.494 -0.522 20 30 IBEDRN Cn1c(CO)nnc1SCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC001333817802 1074300591 /nfs/dbraw/zinc/30/05/91/1074300591.db2.gz FSABJMIGXMXREF-UHFFFAOYSA-N 0 0 436.519 -0.196 20 30 IBEDRN CNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(OC)c2)c(=O)n1CCN1CCOCC1 ZINC001335700829 1074302858 /nfs/dbraw/zinc/30/28/58/1074302858.db2.gz VITQQAWLEJGHEU-UHFFFAOYSA-N 0 0 446.504 -0.361 20 30 IBEDRN COc1cc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CC(N)=O)c2=O)ccc1F ZINC001335702252 1074302868 /nfs/dbraw/zinc/30/28/68/1074302868.db2.gz YTKFWIFOSLZGSM-UHFFFAOYSA-N 0 0 432.477 -0.182 20 30 IBEDRN COC(=O)[C@H]1CS(=O)(=O)CCN1C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 ZINC001336182513 1074303163 /nfs/dbraw/zinc/30/31/63/1074303163.db2.gz RRWNZTSRAWKJER-CYBMUJFWSA-N 0 0 443.503 -0.696 20 30 IBEDRN COC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 ZINC001336182516 1074303226 /nfs/dbraw/zinc/30/32/26/1074303226.db2.gz RRWNZTSRAWKJER-ZDUSSCGKSA-N 0 0 443.503 -0.696 20 30 IBEDRN O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC001337236723 1074305667 /nfs/dbraw/zinc/30/56/67/1074305667.db2.gz CDGJNWAPCPHICD-ACJLOTCBSA-N 0 0 441.531 -0.032 20 30 IBEDRN O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC001337236729 1074305677 /nfs/dbraw/zinc/30/56/77/1074305677.db2.gz CDGJNWAPCPHICD-FZKQIMNGSA-N 0 0 441.531 -0.032 20 30 IBEDRN O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(C(=O)N2CCOCC2)CC1 ZINC001337826817 1074308455 /nfs/dbraw/zinc/30/84/55/1074308455.db2.gz FNWHSJKRQIOGGS-UHFFFAOYSA-N 0 0 435.506 -0.288 20 30 IBEDRN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 ZINC001338784766 1074312325 /nfs/dbraw/zinc/31/23/25/1074312325.db2.gz FCEHTWXHRIIRAN-UHFFFAOYSA-N 0 0 427.465 -0.303 20 30 IBEDRN N#Cc1ccc(N2C[C@H](C(=O)N3CCN([C@H]4CS(=O)(=O)C[C@H]4O)CC3)CC2=O)cc1 ZINC001338784851 1074312349 /nfs/dbraw/zinc/31/23/49/1074312349.db2.gz JBEXQFYSFWMGGK-BPQIPLTHSA-N 0 0 432.502 -0.787 20 30 IBEDRN N#Cc1ccc(N2C[C@H](C(=O)N3CCN([C@@H]4CS(=O)(=O)C[C@H]4O)CC3)CC2=O)cc1 ZINC001338784852 1074312671 /nfs/dbraw/zinc/31/26/71/1074312671.db2.gz JBEXQFYSFWMGGK-KBAYOESNSA-N 0 0 432.502 -0.787 20 30 IBEDRN N#Cc1ccc(N2C[C@H](C(=O)N3CCN([C@H]4CS(=O)(=O)C[C@@H]4O)CC3)CC2=O)cc1 ZINC001338784853 1074312604 /nfs/dbraw/zinc/31/26/04/1074312604.db2.gz JBEXQFYSFWMGGK-NJAFHUGGSA-N 0 0 432.502 -0.787 20 30 IBEDRN N#Cc1ccc(N2C[C@H](C(=O)N3CCN([C@@H]4CS(=O)(=O)C[C@@H]4O)CC3)CC2=O)cc1 ZINC001338784854 1074312788 /nfs/dbraw/zinc/31/27/88/1074312788.db2.gz JBEXQFYSFWMGGK-NXHRZFHOSA-N 0 0 432.502 -0.787 20 30 IBEDRN C#CCNC(=O)CN1CCCN(C(=O)C2CCC(NC(=O)COCCOC)CC2)CC1 ZINC001338976703 1074313443 /nfs/dbraw/zinc/31/34/43/1074313443.db2.gz NLBKPBHKNKIANZ-UHFFFAOYSA-N 0 0 436.553 -0.392 20 30 IBEDRN Cn1nc(Br)cc1C=c1sc(=C(C#N)C#N)n(CCS(C)(=O)=O)c1=O ZINC001339307868 1074315034 /nfs/dbraw/zinc/31/50/34/1074315034.db2.gz MOXFMYFFLQBCFA-UHFFFAOYSA-N 0 0 442.320 -0.523 20 30 IBEDRN C=CCn1c([C@@H]2CCOC2)nnc1N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC001339541535 1074315867 /nfs/dbraw/zinc/31/58/67/1074315867.db2.gz DVLHELIUFKLYQU-CABCVRRESA-N 0 0 445.567 -0.393 20 30 IBEDRN C=CCn1c([C@H]2CCOC2)nnc1N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC001339541536 1074316126 /nfs/dbraw/zinc/31/61/26/1074316126.db2.gz DVLHELIUFKLYQU-GJZGRUSLSA-N 0 0 445.567 -0.393 20 30 IBEDRN C=CCn1c([C@@H]2CCOC2)nnc1N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001339541537 1074316162 /nfs/dbraw/zinc/31/61/62/1074316162.db2.gz DVLHELIUFKLYQU-HUUCEWRRSA-N 0 0 445.567 -0.393 20 30 IBEDRN C=CCn1c([C@H]2CCOC2)nnc1N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001339541538 1074316270 /nfs/dbraw/zinc/31/62/70/1074316270.db2.gz DVLHELIUFKLYQU-LSDHHAIUSA-N 0 0 445.567 -0.393 20 30 IBEDRN COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCC3)c(=O)n1CC(N)=O ZINC001339624798 1074316170 /nfs/dbraw/zinc/31/61/70/1074316170.db2.gz PJFNEQJMPCNYCQ-UHFFFAOYSA-N 0 0 440.525 -0.460 20 30 IBEDRN C#CCNC(=O)C1CCN(C(=O)CNS(=O)(=O)c2ccc(CNC(C)=O)s2)CC1 ZINC001340051560 1074317544 /nfs/dbraw/zinc/31/75/44/1074317544.db2.gz QLHSDGADDDXOQC-UHFFFAOYSA-N 0 0 440.547 -0.350 20 30 IBEDRN Cn1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(Cc3ccon3)c2=O)cn1 ZINC001340508315 1074318340 /nfs/dbraw/zinc/31/83/40/1074318340.db2.gz GKASYXMVQBTDFM-UHFFFAOYSA-N 0 0 426.458 -0.959 20 30 IBEDRN C#CCN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC001340927492 1074319648 /nfs/dbraw/zinc/31/96/48/1074319648.db2.gz FDXFVQSFCTZJRC-KRWDZBQOSA-N 0 0 439.559 -0.358 20 30 IBEDRN C#CCN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC001340927494 1074319544 /nfs/dbraw/zinc/31/95/44/1074319544.db2.gz FDXFVQSFCTZJRC-QGZVFWFLSA-N 0 0 439.559 -0.358 20 30 IBEDRN N#CC1(NC(=O)CN2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)CCCCC1 ZINC001340940730 1074319474 /nfs/dbraw/zinc/31/94/74/1074319474.db2.gz UJRXRQXMRLHPTH-INIZCTEOSA-N 0 0 425.555 -0.750 20 30 IBEDRN N#CC1(NC(=O)CN2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)CCCCC1 ZINC001340940731 1074319454 /nfs/dbraw/zinc/31/94/54/1074319454.db2.gz UJRXRQXMRLHPTH-MRXNPFEDSA-N 0 0 425.555 -0.750 20 30 IBEDRN C#CCOCCN(C)CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC001341256083 1074320409 /nfs/dbraw/zinc/32/04/09/1074320409.db2.gz MKMGFUXDBRKGEF-UHFFFAOYSA-N 0 0 437.518 -0.128 20 30 IBEDRN C#CCN(C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC001341713714 1074321414 /nfs/dbraw/zinc/32/14/14/1074321414.db2.gz JNIALNFOCBGUKV-KRWDZBQOSA-N 0 0 432.502 -0.410 20 30 IBEDRN C#CCN(C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC001341713715 1074321635 /nfs/dbraw/zinc/32/16/35/1074321635.db2.gz JNIALNFOCBGUKV-QGZVFWFLSA-N 0 0 432.502 -0.410 20 30 IBEDRN N#C[C@H](C(=O)CSc1nnnn1CC(F)(F)F)C(=O)N1CCS(=O)(=O)CC1 ZINC001341887408 1074322002 /nfs/dbraw/zinc/32/20/02/1074322002.db2.gz ZMNGLIVTACCWIS-MRVPVSSYSA-N 0 0 426.402 -0.707 20 30 IBEDRN N#C[C@@H](C(=O)CSc1nnnn1CC(F)(F)F)C(=O)N1CCS(=O)(=O)CC1 ZINC001341887409 1074322055 /nfs/dbraw/zinc/32/20/55/1074322055.db2.gz ZMNGLIVTACCWIS-QMMMGPOBSA-N 0 0 426.402 -0.707 20 30 IBEDRN COCCCNC(=O)[C@@H](C#N)C(=O)C1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 ZINC001342565726 1074322814 /nfs/dbraw/zinc/32/28/14/1074322814.db2.gz IWTXLCUWPJVLLN-HNNXBMFYSA-N 0 0 425.511 -0.009 20 30 IBEDRN COCCCNC(=O)[C@H](C#N)C(=O)C1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 ZINC001342565727 1074322932 /nfs/dbraw/zinc/32/29/32/1074322932.db2.gz IWTXLCUWPJVLLN-OAHLLOKOSA-N 0 0 425.511 -0.009 20 30 IBEDRN C=C[C@H](COC)NC(=O)N1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC001342745911 1074323120 /nfs/dbraw/zinc/32/31/20/1074323120.db2.gz CENAZAKRRQZKBH-CYBMUJFWSA-N 0 0 432.524 -0.449 20 30 IBEDRN C=C[C@@H](COC)NC(=O)N1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC001342745913 1074323244 /nfs/dbraw/zinc/32/32/44/1074323244.db2.gz CENAZAKRRQZKBH-ZDUSSCGKSA-N 0 0 432.524 -0.449 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)c2nc(C)n(-c3nc(C(F)(F)F)n[nH]3)n2)CC1 ZINC001342820542 1074323163 /nfs/dbraw/zinc/32/31/63/1074323163.db2.gz NXUHHWGILTUPJN-UHFFFAOYSA-N 0 0 425.375 -0.780 20 30 IBEDRN C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)OC)CC1 ZINC001343413163 1074324446 /nfs/dbraw/zinc/32/44/46/1074324446.db2.gz ARBZQUIBZSLGGU-UHFFFAOYSA-N 0 0 438.462 -0.173 20 30 IBEDRN COCCNC(=O)[C@@H](C#N)C(=O)Cc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 ZINC001343983378 1074326776 /nfs/dbraw/zinc/32/67/76/1074326776.db2.gz UAYFDAUWWPAEFR-HNNXBMFYSA-N 0 0 439.490 -0.270 20 30 IBEDRN COCCNC(=O)[C@H](C#N)C(=O)Cc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 ZINC001343983379 1074326768 /nfs/dbraw/zinc/32/67/68/1074326768.db2.gz UAYFDAUWWPAEFR-OAHLLOKOSA-N 0 0 439.490 -0.270 20 30 IBEDRN Cc1nc(C#N)c(N2CCC(C(=O)N3CCn4c(nn(CC(=O)N(C)C)c4=O)C3)CC2)o1 ZINC001344395228 1074327530 /nfs/dbraw/zinc/32/75/30/1074327530.db2.gz YEVPQRDJQKZQHY-UHFFFAOYSA-N 0 0 442.480 -0.440 20 30 IBEDRN Cn1c(CC#N)nn(CN2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)c1=S ZINC001344416283 1074327602 /nfs/dbraw/zinc/32/76/02/1074327602.db2.gz PSSMJPGYIUMEGU-GFCCVEGCSA-N 0 0 434.569 -0.891 20 30 IBEDRN Cn1c(CC#N)nn(CN2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)c1=S ZINC001344416284 1074327549 /nfs/dbraw/zinc/32/75/49/1074327549.db2.gz PSSMJPGYIUMEGU-LBPRGKRZSA-N 0 0 434.569 -0.891 20 30 IBEDRN COCCN(CCC#N)S(=O)(=O)NC1CCN(S(=O)(=O)C2CCOCC2)CC1 ZINC001344599438 1074328321 /nfs/dbraw/zinc/32/83/21/1074328321.db2.gz MTQXBCIPIQRFBZ-UHFFFAOYSA-N 0 0 438.572 -0.344 20 30 IBEDRN CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)N1CCO[C@@H](C#N)C1 ZINC001344600697 1074328383 /nfs/dbraw/zinc/32/83/83/1074328383.db2.gz WVZKGRISCWGJGD-KBPBESRZSA-N 0 0 432.499 -0.060 20 30 IBEDRN CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)N1CCO[C@H](C#N)C1 ZINC001344600709 1074328407 /nfs/dbraw/zinc/32/84/07/1074328407.db2.gz WVZKGRISCWGJGD-KGLIPLIRSA-N 0 0 432.499 -0.060 20 30 IBEDRN CCOC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)N1CCO[C@@H](C#N)C1 ZINC001344600710 1074328295 /nfs/dbraw/zinc/32/82/95/1074328295.db2.gz WVZKGRISCWGJGD-UONOGXRCSA-N 0 0 432.499 -0.060 20 30 IBEDRN CCOC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)N1CCO[C@H](C#N)C1 ZINC001344600711 1074328202 /nfs/dbraw/zinc/32/82/02/1074328202.db2.gz WVZKGRISCWGJGD-ZIAGYGMSSA-N 0 0 432.499 -0.060 20 30 IBEDRN C#CCNS(=O)(=O)c1ccc(C(=O)NC2(C(=O)OC)CCS(=O)(=O)CC2)cc1 ZINC001344630419 1074328371 /nfs/dbraw/zinc/32/83/71/1074328371.db2.gz KJRINKRQHVHPSK-UHFFFAOYSA-N 0 0 428.488 -0.552 20 30 IBEDRN CNC(=O)C(C#N)=c1sc(=Cc2ccnn2CCCOC)c(=O)n1Cc1ccon1 ZINC001344746730 1074329079 /nfs/dbraw/zinc/32/90/79/1074329079.db2.gz YWYMLLOGXRXOHI-UHFFFAOYSA-N 0 0 428.474 -0.572 20 30 IBEDRN Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)N2CCS(=O)(=O)CC2)n(C2CC2)c1=O ZINC001345380925 1074329060 /nfs/dbraw/zinc/32/90/60/1074329060.db2.gz QOHMGXYPPWBZPD-UHFFFAOYSA-N 0 0 447.542 -0.953 20 30 IBEDRN C#CCNC(=O)CN1CCN(CC(=O)Nc2cc(S(N)(=O)=O)ccc2Cl)CC1 ZINC001346422558 1074330580 /nfs/dbraw/zinc/33/05/80/1074330580.db2.gz HANKMSXWKZIXBK-UHFFFAOYSA-N 0 0 427.914 -0.707 20 30 IBEDRN COc1ccc(CC(=O)NCCn2cnc(C#N)n2)cc1S(=O)(=O)N1CCOCC1 ZINC001346767236 1074330991 /nfs/dbraw/zinc/33/09/91/1074330991.db2.gz DAYJPPAMVRJRMB-UHFFFAOYSA-N 0 0 434.478 -0.462 20 30 IBEDRN N#C[C@@H](C(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)C(=O)N1CCS(=O)(=O)CC1 ZINC001356016884 1074350088 /nfs/dbraw/zinc/35/00/88/1074350088.db2.gz JZXRFANIMHDKRE-JURCDPSOSA-N 0 0 428.536 -0.322 20 30 IBEDRN C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nnc2n1CCC2 ZINC001358890132 1074357206 /nfs/dbraw/zinc/35/72/06/1074357206.db2.gz LOJQCEFPCVNMDL-KBPBESRZSA-N 0 0 434.526 -0.345 20 30 IBEDRN C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nnc2n1CCC2 ZINC001358890133 1074357054 /nfs/dbraw/zinc/35/70/54/1074357054.db2.gz LOJQCEFPCVNMDL-KGLIPLIRSA-N 0 0 434.526 -0.345 20 30 IBEDRN C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nnc2n1CCC2 ZINC001358890134 1074356956 /nfs/dbraw/zinc/35/69/56/1074356956.db2.gz LOJQCEFPCVNMDL-UONOGXRCSA-N 0 0 434.526 -0.345 20 30 IBEDRN C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nnc2n1CCC2 ZINC001358890135 1074357097 /nfs/dbraw/zinc/35/70/97/1074357097.db2.gz LOJQCEFPCVNMDL-ZIAGYGMSSA-N 0 0 434.526 -0.345 20 30 IBEDRN C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)N1CCOCC1 ZINC001358890756 1074357011 /nfs/dbraw/zinc/35/70/11/1074357011.db2.gz VEJCBILWDLBGSL-BBWFWOEESA-N 0 0 440.570 -0.210 20 30 IBEDRN C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)N1CCOCC1 ZINC001358890757 1074356997 /nfs/dbraw/zinc/35/69/97/1074356997.db2.gz VEJCBILWDLBGSL-GVDBMIGSSA-N 0 0 440.570 -0.210 20 30 IBEDRN C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)N1CCOCC1 ZINC001358890758 1074357155 /nfs/dbraw/zinc/35/71/55/1074357155.db2.gz VEJCBILWDLBGSL-ULQDDVLXSA-N 0 0 440.570 -0.210 20 30 IBEDRN C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)N1CCOCC1 ZINC001358890759 1074357107 /nfs/dbraw/zinc/35/71/07/1074357107.db2.gz VEJCBILWDLBGSL-YESZJQIVSA-N 0 0 440.570 -0.210 20 30 IBEDRN C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1CCOCC1 ZINC001358891054 1074357135 /nfs/dbraw/zinc/35/71/35/1074357135.db2.gz YZSZKRJGFNATGU-DLBZAZTESA-N 0 0 440.570 -0.209 20 30 IBEDRN C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1CCOCC1 ZINC001358891055 1074357082 /nfs/dbraw/zinc/35/70/82/1074357082.db2.gz YZSZKRJGFNATGU-IAGOWNOFSA-N 0 0 440.570 -0.209 20 30 IBEDRN C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1CCOCC1 ZINC001358891056 1074356970 /nfs/dbraw/zinc/35/69/70/1074356970.db2.gz YZSZKRJGFNATGU-IRXDYDNUSA-N 0 0 440.570 -0.209 20 30 IBEDRN C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1CCOCC1 ZINC001358891057 1074357166 /nfs/dbraw/zinc/35/71/66/1074357166.db2.gz YZSZKRJGFNATGU-SJORKVTESA-N 0 0 440.570 -0.209 20 30 IBEDRN C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2Cc2nnn(C)n2)c1 ZINC001358902692 1074356963 /nfs/dbraw/zinc/35/69/63/1074356963.db2.gz WQGIPHWJTAOCDD-HNNXBMFYSA-N 0 0 434.464 -0.143 20 30 IBEDRN C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2Cc2nnn(C)n2)c1 ZINC001358902693 1074356941 /nfs/dbraw/zinc/35/69/41/1074356941.db2.gz WQGIPHWJTAOCDD-OAHLLOKOSA-N 0 0 434.464 -0.143 20 30 IBEDRN C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(=O)N(C)C)CC1 ZINC001358905319 1074357059 /nfs/dbraw/zinc/35/70/59/1074357059.db2.gz XDIFESUEMWCOCM-INIZCTEOSA-N 0 0 439.586 -0.098 20 30 IBEDRN C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(=O)N(C)C)CC1 ZINC001358905320 1074357678 /nfs/dbraw/zinc/35/76/78/1074357678.db2.gz XDIFESUEMWCOCM-MRXNPFEDSA-N 0 0 439.586 -0.098 20 30 IBEDRN C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC001358918853 1074357661 /nfs/dbraw/zinc/35/76/61/1074357661.db2.gz JDMOXVWBQNAAIK-UHFFFAOYSA-N 0 0 445.524 -0.663 20 30 IBEDRN C#CCCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC001358927058 1074357560 /nfs/dbraw/zinc/35/75/60/1074357560.db2.gz LRYCACJBBYUFSL-UHFFFAOYSA-N 0 0 438.492 -0.344 20 30 IBEDRN C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC001358927473 1074357459 /nfs/dbraw/zinc/35/74/59/1074357459.db2.gz AAGHXMIQMFIWMG-INIZCTEOSA-N 0 0 427.509 -0.086 20 30 IBEDRN C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC001358927474 1074357547 /nfs/dbraw/zinc/35/75/47/1074357547.db2.gz AAGHXMIQMFIWMG-MRXNPFEDSA-N 0 0 427.509 -0.086 20 30 IBEDRN C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 ZINC001358928226 1074357614 /nfs/dbraw/zinc/35/76/14/1074357614.db2.gz WZPMTPIYUVEXTA-KRWDZBQOSA-N 0 0 429.525 -0.377 20 30 IBEDRN C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 ZINC001358928227 1074357693 /nfs/dbraw/zinc/35/76/93/1074357693.db2.gz WZPMTPIYUVEXTA-QGZVFWFLSA-N 0 0 429.525 -0.377 20 30 IBEDRN C#CCCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC001358929970 1074357607 /nfs/dbraw/zinc/35/76/07/1074357607.db2.gz LMXJUZFTIXCBKD-KRWDZBQOSA-N 0 0 430.509 -0.297 20 30 IBEDRN C#CCCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC001358929971 1074357500 /nfs/dbraw/zinc/35/75/00/1074357500.db2.gz LMXJUZFTIXCBKD-QGZVFWFLSA-N 0 0 430.509 -0.297 20 30 IBEDRN C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)C(=O)C1 ZINC001358930314 1074357653 /nfs/dbraw/zinc/35/76/53/1074357653.db2.gz SGUGRVLDPMXLNB-INIZCTEOSA-N 0 0 436.538 -0.165 20 30 IBEDRN C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)C(=O)C1 ZINC001358930315 1074357573 /nfs/dbraw/zinc/35/75/73/1074357573.db2.gz SGUGRVLDPMXLNB-MRXNPFEDSA-N 0 0 436.538 -0.165 20 30 IBEDRN C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCN1CCOCC1 ZINC001358930640 1074357636 /nfs/dbraw/zinc/35/76/36/1074357636.db2.gz ZKGDQTMOQNHFLR-KRWDZBQOSA-N 0 0 440.570 -0.207 20 30 IBEDRN C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCN1CCOCC1 ZINC001358930641 1074357513 /nfs/dbraw/zinc/35/75/13/1074357513.db2.gz ZKGDQTMOQNHFLR-QGZVFWFLSA-N 0 0 440.570 -0.207 20 30 IBEDRN C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 ZINC001358933441 1074357623 /nfs/dbraw/zinc/35/76/23/1074357623.db2.gz UCGAIEXCQSUPBW-UHFFFAOYSA-N 0 0 443.552 -0.205 20 30 IBEDRN C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCS(=O)(=O)C1 ZINC001358948361 1074357671 /nfs/dbraw/zinc/35/76/71/1074357671.db2.gz ATQKHLNZWGIVBS-KBPBESRZSA-N 0 0 431.540 -0.885 20 30 IBEDRN C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCS(=O)(=O)C1 ZINC001358948362 1074357685 /nfs/dbraw/zinc/35/76/85/1074357685.db2.gz ATQKHLNZWGIVBS-KGLIPLIRSA-N 0 0 431.540 -0.885 20 30 IBEDRN C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCS(=O)(=O)C1 ZINC001358948363 1074357483 /nfs/dbraw/zinc/35/74/83/1074357483.db2.gz ATQKHLNZWGIVBS-UONOGXRCSA-N 0 0 431.540 -0.885 20 30 IBEDRN C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCS(=O)(=O)C1 ZINC001358948364 1074357600 /nfs/dbraw/zinc/35/76/00/1074357600.db2.gz ATQKHLNZWGIVBS-ZIAGYGMSSA-N 0 0 431.540 -0.885 20 30 IBEDRN C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnn(CCOC)c1 ZINC001358948507 1074357536 /nfs/dbraw/zinc/35/75/36/1074357536.db2.gz DQYNYIIPIVNUPE-INIZCTEOSA-N 0 0 437.526 -0.428 20 30 IBEDRN C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnn(CCOC)c1 ZINC001358948508 1074357439 /nfs/dbraw/zinc/35/74/39/1074357439.db2.gz DQYNYIIPIVNUPE-MRXNPFEDSA-N 0 0 437.526 -0.428 20 30 IBEDRN C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)NCc1ccco1 ZINC001358948599 1074358043 /nfs/dbraw/zinc/35/80/43/1074358043.db2.gz GGRGUCUMLWDILF-HNNXBMFYSA-N 0 0 436.494 -0.410 20 30 IBEDRN C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)NCc1ccco1 ZINC001358948600 1074357875 /nfs/dbraw/zinc/35/78/75/1074357875.db2.gz GGRGUCUMLWDILF-OAHLLOKOSA-N 0 0 436.494 -0.410 20 30 IBEDRN C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)N1CCOCC1 ZINC001358948932 1074357885 /nfs/dbraw/zinc/35/78/85/1074357885.db2.gz OYZODVKEPQGSQI-INIZCTEOSA-N 0 0 440.570 -0.209 20 30 IBEDRN C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)N1CCOCC1 ZINC001358948933 1074357948 /nfs/dbraw/zinc/35/79/48/1074357948.db2.gz OYZODVKEPQGSQI-MRXNPFEDSA-N 0 0 440.570 -0.209 20 30 IBEDRN C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccn(CC)c1=O ZINC001358949017 1074357938 /nfs/dbraw/zinc/35/79/38/1074357938.db2.gz QWZJIATYRGUQCB-INIZCTEOSA-N 0 0 434.522 -0.090 20 30 IBEDRN C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccn(CC)c1=O ZINC001358949018 1074357917 /nfs/dbraw/zinc/35/79/17/1074357917.db2.gz QWZJIATYRGUQCB-MRXNPFEDSA-N 0 0 434.522 -0.090 20 30 IBEDRN C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1CCOC1=O ZINC001358949269 1074357990 /nfs/dbraw/zinc/35/79/90/1074357990.db2.gz XMUWFUUOORYSBP-AWEZNQCLSA-N 0 0 426.499 -0.477 20 30 IBEDRN C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCN1CCOC1=O ZINC001358949270 1074357961 /nfs/dbraw/zinc/35/79/61/1074357961.db2.gz XMUWFUUOORYSBP-CQSZACIVSA-N 0 0 426.499 -0.477 20 30 IBEDRN C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCS(=O)(=O)NC(C)C ZINC001358949363 1074357980 /nfs/dbraw/zinc/35/79/80/1074357980.db2.gz ZOFWKYOBBBFUGT-AWEZNQCLSA-N 0 0 448.571 -0.992 20 30 IBEDRN C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCS(=O)(=O)NC(C)C ZINC001358949364 1074358003 /nfs/dbraw/zinc/35/80/03/1074358003.db2.gz ZOFWKYOBBBFUGT-CQSZACIVSA-N 0 0 448.571 -0.992 20 30 IBEDRN C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H]1CC[C@H](CO)O1)[C@H]1CCS(=O)(=O)C1 ZINC001358954904 1074358018 /nfs/dbraw/zinc/35/80/18/1074358018.db2.gz AGIKBVUVNPHFIV-HRCADAONSA-N 0 0 439.538 -0.417 20 30 IBEDRN C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H]1CC[C@H](CO)O1)[C@@H]1CCS(=O)(=O)C1 ZINC001358954905 1074358027 /nfs/dbraw/zinc/35/80/27/1074358027.db2.gz AGIKBVUVNPHFIV-OWCLPIDISA-N 0 0 439.538 -0.417 20 30 IBEDRN C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1nncn1CC)[C@H]1CCS(=O)(=O)C1 ZINC001358955030 1074357997 /nfs/dbraw/zinc/35/79/97/1074357997.db2.gz CLKHQTJMPMFTLL-AWEZNQCLSA-N 0 0 434.526 -0.297 20 30 IBEDRN C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1nncn1CC)[C@@H]1CCS(=O)(=O)C1 ZINC001358955031 1074357905 /nfs/dbraw/zinc/35/79/05/1074357905.db2.gz CLKHQTJMPMFTLL-CQSZACIVSA-N 0 0 434.526 -0.297 20 30 IBEDRN C#CCN(c1nnc(C(=O)N2CCCC2)n1CC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 ZINC001358955154 1074357970 /nfs/dbraw/zinc/35/79/70/1074357970.db2.gz FTXDTECSCRHBCY-HNNXBMFYSA-N 0 0 436.538 -0.335 20 30 IBEDRN C#CCN(c1nnc(C(=O)N2CCCC2)n1CC(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001358955155 1074358011 /nfs/dbraw/zinc/35/80/11/1074358011.db2.gz FTXDTECSCRHBCY-OAHLLOKOSA-N 0 0 436.538 -0.335 20 30 IBEDRN C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@]1(O)CCOC1)[C@@H]1CCS(=O)(=O)C1 ZINC001358955665 1074357863 /nfs/dbraw/zinc/35/78/63/1074357863.db2.gz QUTTVFXNXSKCLK-BEFAXECRSA-N 0 0 437.522 -0.708 20 30 IBEDRN C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@]1(O)CCOC1)[C@@H]1CCS(=O)(=O)C1 ZINC001358955666 1074358051 /nfs/dbraw/zinc/35/80/51/1074358051.db2.gz QUTTVFXNXSKCLK-DNVCBOLYSA-N 0 0 437.522 -0.708 20 30 IBEDRN C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@]1(O)CCOC1)[C@H]1CCS(=O)(=O)C1 ZINC001358955667 1074358036 /nfs/dbraw/zinc/35/80/36/1074358036.db2.gz QUTTVFXNXSKCLK-HNAYVOBHSA-N 0 0 437.522 -0.708 20 30 IBEDRN C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@]1(O)CCOC1)[C@H]1CCS(=O)(=O)C1 ZINC001358955668 1074357929 /nfs/dbraw/zinc/35/79/29/1074357929.db2.gz QUTTVFXNXSKCLK-KXBFYZLASA-N 0 0 437.522 -0.708 20 30 IBEDRN C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H](COC)OC)[C@@H]1CCS(=O)(=O)C1 ZINC001358955802 1074358432 /nfs/dbraw/zinc/35/84/32/1074358432.db2.gz UHDSETZPWOGSGJ-CABCVRRESA-N 0 0 427.527 -0.296 20 30 IBEDRN C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H](COC)OC)[C@H]1CCS(=O)(=O)C1 ZINC001358955803 1074358460 /nfs/dbraw/zinc/35/84/60/1074358460.db2.gz UHDSETZPWOGSGJ-GJZGRUSLSA-N 0 0 427.527 -0.296 20 30 IBEDRN C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H](COC)OC)[C@@H]1CCS(=O)(=O)C1 ZINC001358955804 1074358417 /nfs/dbraw/zinc/35/84/17/1074358417.db2.gz UHDSETZPWOGSGJ-HUUCEWRRSA-N 0 0 427.527 -0.296 20 30 IBEDRN C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H](COC)OC)[C@H]1CCS(=O)(=O)C1 ZINC001358955805 1074358447 /nfs/dbraw/zinc/35/84/47/1074358447.db2.gz UHDSETZPWOGSGJ-LSDHHAIUSA-N 0 0 427.527 -0.296 20 30 IBEDRN C#CCN(c1nnc(C(=O)NC(C)C)n1CC1(O)CCOCC1)[C@H]1CCS(=O)(=O)C1 ZINC001358955824 1074358304 /nfs/dbraw/zinc/35/83/04/1074358304.db2.gz URNQIIAYJACFOJ-HNNXBMFYSA-N 0 0 439.538 -0.416 20 30 IBEDRN C#CCN(c1nnc(C(=O)NC(C)C)n1CC1(O)CCOCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001358955825 1074358454 /nfs/dbraw/zinc/35/84/54/1074358454.db2.gz URNQIIAYJACFOJ-OAHLLOKOSA-N 0 0 439.538 -0.416 20 30 IBEDRN C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1nncn1C)[C@H]1CCS(=O)(=O)C1 ZINC001358955826 1074358438 /nfs/dbraw/zinc/35/84/38/1074358438.db2.gz UTJPYXRWRWZHOU-AWEZNQCLSA-N 0 0 432.510 -0.682 20 30 IBEDRN C#CCN(c1nnc(C(=O)N2CCCC2)n1Cc1nncn1C)[C@@H]1CCS(=O)(=O)C1 ZINC001358955827 1074358443 /nfs/dbraw/zinc/35/84/43/1074358443.db2.gz UTJPYXRWRWZHOU-CQSZACIVSA-N 0 0 432.510 -0.682 20 30 IBEDRN C#CCN(c1nnc(C(=O)NC(C)C)n1CC(=O)NCC1CC1)[C@H]1CCS(=O)(=O)C1 ZINC001358955928 1074358423 /nfs/dbraw/zinc/35/84/23/1074358423.db2.gz WYNSEBKIOSVATD-HNNXBMFYSA-N 0 0 436.538 -0.431 20 30 IBEDRN C#CCN(c1nnc(C(=O)NC(C)C)n1CC(=O)NCC1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC001358955929 1074358368 /nfs/dbraw/zinc/35/83/68/1074358368.db2.gz WYNSEBKIOSVATD-OAHLLOKOSA-N 0 0 436.538 -0.431 20 30 IBEDRN C#CCN(c1nnc(C(=O)NC(C)C)n1CC[C@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC001358955958 1074358379 /nfs/dbraw/zinc/35/83/79/1074358379.db2.gz XOZFJGXBAOSFPE-CVEARBPZSA-N 0 0 439.538 -0.152 20 30 IBEDRN C#CCN(c1nnc(C(=O)NC(C)C)n1CC[C@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 ZINC001358955959 1074358340 /nfs/dbraw/zinc/35/83/40/1074358340.db2.gz XOZFJGXBAOSFPE-HOTGVXAUSA-N 0 0 439.538 -0.152 20 30 IBEDRN C#CCN(c1nnc(C(=O)NC(C)C)n1CC[C@@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC001358955960 1074358359 /nfs/dbraw/zinc/35/83/59/1074358359.db2.gz XOZFJGXBAOSFPE-HZPDHXFCSA-N 0 0 439.538 -0.152 20 30 IBEDRN C#CCN(c1nnc(C(=O)NC(C)C)n1CC[C@@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 ZINC001358955961 1074358315 /nfs/dbraw/zinc/35/83/15/1074358315.db2.gz XOZFJGXBAOSFPE-JKSUJKDBSA-N 0 0 439.538 -0.152 20 30 IBEDRN C#CCN(c1nnc(-c2cnn(C)c2)n1CCS(=O)(=O)CC)[C@H]1CCS(=O)(=O)C1 ZINC001358960318 1074358388 /nfs/dbraw/zinc/35/83/88/1074358388.db2.gz BONLLZXVZSLJDJ-HNNXBMFYSA-N 0 0 440.551 -0.260 20 30 IBEDRN C#CCN(c1nnc(-c2cnn(C)c2)n1CCS(=O)(=O)CC)[C@@H]1CCS(=O)(=O)C1 ZINC001358960319 1074358409 /nfs/dbraw/zinc/35/84/09/1074358409.db2.gz BONLLZXVZSLJDJ-OAHLLOKOSA-N 0 0 440.551 -0.260 20 30 IBEDRN C#CCN(c1nnc(-c2cnccn2)n1CCS(=O)(=O)CC)[C@H]1CCS(=O)(=O)C1 ZINC001358960676 1074358349 /nfs/dbraw/zinc/35/83/49/1074358349.db2.gz JKFSIUSIKHKOKD-AWEZNQCLSA-N 0 0 438.535 -0.204 20 30 IBEDRN C#CCN(c1nnc(-c2cnccn2)n1CCS(=O)(=O)CC)[C@@H]1CCS(=O)(=O)C1 ZINC001358960677 1074358397 /nfs/dbraw/zinc/35/83/97/1074358397.db2.gz JKFSIUSIKHKOKD-CQSZACIVSA-N 0 0 438.535 -0.204 20 30 IBEDRN C#CCN(c1nnc(-c2cccn2C)n1CCS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 ZINC001358960776 1074358322 /nfs/dbraw/zinc/35/83/22/1074358322.db2.gz LPVXVHNGTVGHPQ-AWEZNQCLSA-N 0 0 425.536 -0.045 20 30 IBEDRN C#CCN(c1nnc(-c2cccn2C)n1CCS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 ZINC001358960777 1074358333 /nfs/dbraw/zinc/35/83/33/1074358333.db2.gz LPVXVHNGTVGHPQ-CQSZACIVSA-N 0 0 425.536 -0.045 20 30 IBEDRN C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCSCCCO)[C@@H]1CCS(=O)(=O)C1 ZINC001358961660 1074358710 /nfs/dbraw/zinc/35/87/10/1074358710.db2.gz CQXRYIHNVAZBQF-CABCVRRESA-N 0 0 441.579 -0.029 20 30 IBEDRN C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCSCCCO)[C@H]1CCS(=O)(=O)C1 ZINC001358961661 1074358694 /nfs/dbraw/zinc/35/86/94/1074358694.db2.gz CQXRYIHNVAZBQF-GJZGRUSLSA-N 0 0 441.579 -0.029 20 30 IBEDRN C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCSCCCO)[C@@H]1CCS(=O)(=O)C1 ZINC001358961662 1074358791 /nfs/dbraw/zinc/35/87/91/1074358791.db2.gz CQXRYIHNVAZBQF-HUUCEWRRSA-N 0 0 441.579 -0.029 20 30 IBEDRN C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCSCCCO)[C@H]1CCS(=O)(=O)C1 ZINC001358961663 1074358645 /nfs/dbraw/zinc/35/86/45/1074358645.db2.gz CQXRYIHNVAZBQF-LSDHHAIUSA-N 0 0 441.579 -0.029 20 30 IBEDRN C#CCN(c1nnc(C2CC2)n1CCOCCS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 ZINC001358962018 1074358655 /nfs/dbraw/zinc/35/86/55/1074358655.db2.gz ITDLYTVDBCICSX-HNNXBMFYSA-N 0 0 430.552 -0.157 20 30 IBEDRN C#CCN(c1nnc(C2CC2)n1CCOCCS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 ZINC001358962019 1074358810 /nfs/dbraw/zinc/35/88/10/1074358810.db2.gz ITDLYTVDBCICSX-OAHLLOKOSA-N 0 0 430.552 -0.157 20 30 IBEDRN C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC[C@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 ZINC001358962078 1074358770 /nfs/dbraw/zinc/35/87/70/1074358770.db2.gz JVWXBQJVOIDSIJ-JYJNAYRXSA-N 0 0 437.522 -0.339 20 30 IBEDRN C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC[C@@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC001358962079 1074358678 /nfs/dbraw/zinc/35/86/78/1074358678.db2.gz JVWXBQJVOIDSIJ-OAGGEKHMSA-N 0 0 437.522 -0.339 20 30 IBEDRN C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC[C@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC001358962080 1074358754 /nfs/dbraw/zinc/35/87/54/1074358754.db2.gz JVWXBQJVOIDSIJ-PMPSAXMXSA-N 0 0 437.522 -0.339 20 30 IBEDRN C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC[C@@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 ZINC001358962081 1074358782 /nfs/dbraw/zinc/35/87/82/1074358782.db2.gz JVWXBQJVOIDSIJ-XHSDSOJGSA-N 0 0 437.522 -0.339 20 30 IBEDRN C#CCN(c1nnc([C@@H]2CCCCO2)n1CCS(=O)(=O)NC)[C@@H]1CCS(=O)(=O)C1 ZINC001358962270 1074358668 /nfs/dbraw/zinc/35/86/68/1074358668.db2.gz NDVMLOOTLPYRPS-CABCVRRESA-N 0 0 445.567 -0.304 20 30 IBEDRN C#CCN(c1nnc([C@@H]2CCCCO2)n1CCS(=O)(=O)NC)[C@H]1CCS(=O)(=O)C1 ZINC001358962271 1074358734 /nfs/dbraw/zinc/35/87/34/1074358734.db2.gz NDVMLOOTLPYRPS-GJZGRUSLSA-N 0 0 445.567 -0.304 20 30 IBEDRN C#CCN(c1nnc([C@H]2CCCCO2)n1CCS(=O)(=O)NC)[C@@H]1CCS(=O)(=O)C1 ZINC001358962272 1074358686 /nfs/dbraw/zinc/35/86/86/1074358686.db2.gz NDVMLOOTLPYRPS-HUUCEWRRSA-N 0 0 445.567 -0.304 20 30 IBEDRN C#CCN(c1nnc([C@H]2CCCCO2)n1CCS(=O)(=O)NC)[C@H]1CCS(=O)(=O)C1 ZINC001358962273 1074358831 /nfs/dbraw/zinc/35/88/31/1074358831.db2.gz NDVMLOOTLPYRPS-LSDHHAIUSA-N 0 0 445.567 -0.304 20 30 IBEDRN C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC[S@@](=O)CC)[C@H]1CCS(=O)(=O)C1 ZINC001358962490 1074358703 /nfs/dbraw/zinc/35/87/03/1074358703.db2.gz QRURFCIBLBMKQJ-IVAFGUPBSA-N 0 0 427.552 -0.376 20 30 IBEDRN C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC[S@](=O)CC)[C@H]1CCS(=O)(=O)C1 ZINC001358962491 1074358803 /nfs/dbraw/zinc/35/88/03/1074358803.db2.gz QRURFCIBLBMKQJ-MDNHHPLHSA-N 0 0 427.552 -0.376 20 30 IBEDRN C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC[S@](=O)CC)[C@@H]1CCS(=O)(=O)C1 ZINC001358962492 1074358722 /nfs/dbraw/zinc/35/87/22/1074358722.db2.gz QRURFCIBLBMKQJ-MWSMCUOVSA-N 0 0 427.552 -0.376 20 30 IBEDRN C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC[S@@](=O)CC)[C@@H]1CCS(=O)(=O)C1 ZINC001358962493 1074358743 /nfs/dbraw/zinc/35/87/43/1074358743.db2.gz QRURFCIBLBMKQJ-VXKZXEGRSA-N 0 0 427.552 -0.376 20 30 IBEDRN C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC(=O)NCC(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC001358962592 1074358662 /nfs/dbraw/zinc/35/86/62/1074358662.db2.gz SISUNRLZHYYKFF-NEPJUHHUSA-N 0 0 444.464 -0.763 20 30 IBEDRN C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CC(=O)NCC(F)F)[C@H]1CCS(=O)(=O)C1 ZINC001358962593 1074358821 /nfs/dbraw/zinc/35/88/21/1074358821.db2.gz SISUNRLZHYYKFF-NWDGAFQWSA-N 0 0 444.464 -0.763 20 30 IBEDRN C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC(=O)NCC(F)F)[C@H]1CCS(=O)(=O)C1 ZINC001358962594 1074359134 /nfs/dbraw/zinc/35/91/34/1074359134.db2.gz SISUNRLZHYYKFF-RYUDHWBXSA-N 0 0 444.464 -0.763 20 30 IBEDRN C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CC(=O)NCC(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC001358962595 1074359211 /nfs/dbraw/zinc/35/92/11/1074359211.db2.gz SISUNRLZHYYKFF-VXGBXAGGSA-N 0 0 444.464 -0.763 20 30 IBEDRN C#CCN(c1nnc(-c2noc3c2COCC3)n1CCC(=O)NC)[C@@H]1CCS(=O)(=O)C1 ZINC001358962646 1074359164 /nfs/dbraw/zinc/35/91/64/1074359164.db2.gz UDXDETMZODFZGI-CYBMUJFWSA-N 0 0 448.505 -0.231 20 30 IBEDRN C#CCN(c1nnc(-c2noc3c2COCC3)n1CCC(=O)NC)[C@H]1CCS(=O)(=O)C1 ZINC001358962647 1074359287 /nfs/dbraw/zinc/35/92/87/1074359287.db2.gz UDXDETMZODFZGI-ZDUSSCGKSA-N 0 0 448.505 -0.231 20 30 IBEDRN C#CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC=C)[C@@H]1CCS(=O)(=O)C1 ZINC001358964276 1074359245 /nfs/dbraw/zinc/35/92/45/1074359245.db2.gz WTTKLBHKUVDKFA-CABCVRRESA-N 0 0 443.551 -0.576 20 30 IBEDRN C#CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC=C)[C@H]1CCS(=O)(=O)C1 ZINC001358964277 1074359095 /nfs/dbraw/zinc/35/90/95/1074359095.db2.gz WTTKLBHKUVDKFA-GJZGRUSLSA-N 0 0 443.551 -0.576 20 30 IBEDRN C#CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC=C)[C@@H]1CCS(=O)(=O)C1 ZINC001358964278 1074359102 /nfs/dbraw/zinc/35/91/02/1074359102.db2.gz WTTKLBHKUVDKFA-HUUCEWRRSA-N 0 0 443.551 -0.576 20 30 IBEDRN C#CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC=C)[C@H]1CCS(=O)(=O)C1 ZINC001358964279 1074359109 /nfs/dbraw/zinc/35/91/09/1074359109.db2.gz WTTKLBHKUVDKFA-LSDHHAIUSA-N 0 0 443.551 -0.576 20 30 IBEDRN C#CCN(c1nnc([C@@H]2CCOC2)n1CC(=O)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 ZINC001358964286 1074359150 /nfs/dbraw/zinc/35/91/50/1074359150.db2.gz WXUIEMCFUQKEKV-CVEARBPZSA-N 0 0 437.522 -0.733 20 30 IBEDRN C#CCN(c1nnc([C@H]2CCOC2)n1CC(=O)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 ZINC001358964287 1074359083 /nfs/dbraw/zinc/35/90/83/1074359083.db2.gz WXUIEMCFUQKEKV-HOTGVXAUSA-N 0 0 437.522 -0.733 20 30 IBEDRN C#CCN(c1nnc([C@@H]2CCOC2)n1CC(=O)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001358964288 1074359128 /nfs/dbraw/zinc/35/91/28/1074359128.db2.gz WXUIEMCFUQKEKV-HZPDHXFCSA-N 0 0 437.522 -0.733 20 30 IBEDRN C#CCN(c1nnc([C@H]2CCOC2)n1CC(=O)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001358964289 1074359278 /nfs/dbraw/zinc/35/92/78/1074359278.db2.gz WXUIEMCFUQKEKV-JKSUJKDBSA-N 0 0 437.522 -0.733 20 30 IBEDRN C#CCN(c1nnc(Cc2ccccn2)n1C[C@@]1(O)CCN(C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001358965542 1074359173 /nfs/dbraw/zinc/35/91/73/1074359173.db2.gz XCRFYVXSXQAUIN-GHTZIAJQSA-N 0 0 444.561 -0.043 20 30 IBEDRN C#CCN(c1nnc(Cc2ccccn2)n1C[C@]1(O)CCN(C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001358965543 1074359254 /nfs/dbraw/zinc/35/92/54/1074359254.db2.gz XCRFYVXSXQAUIN-NQIIRXRSSA-N 0 0 444.561 -0.043 20 30 IBEDRN C#CCN(c1nnc(Cc2ccccn2)n1C[C@]1(O)CCN(C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001358965544 1074359114 /nfs/dbraw/zinc/35/91/14/1074359114.db2.gz XCRFYVXSXQAUIN-RXVVDRJESA-N 0 0 444.561 -0.043 20 30 IBEDRN C#CCN(c1nnc(Cc2ccccn2)n1C[C@@]1(O)CCN(C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001358965545 1074359226 /nfs/dbraw/zinc/35/92/26/1074359226.db2.gz XCRFYVXSXQAUIN-WIYYLYMNSA-N 0 0 444.561 -0.043 20 30 IBEDRN C#CCN(c1nnc(CN2CCCC2=O)n1CC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 ZINC001358966240 1074359139 /nfs/dbraw/zinc/35/91/39/1074359139.db2.gz KTINQWGVNBYVFK-HNNXBMFYSA-N 0 0 436.538 -0.448 20 30 IBEDRN C#CCN(c1nnc(CN2CCCC2=O)n1CC(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001358966241 1074359160 /nfs/dbraw/zinc/35/91/60/1074359160.db2.gz KTINQWGVNBYVFK-OAHLLOKOSA-N 0 0 436.538 -0.448 20 30 IBEDRN C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCC(=O)NC)[C@H]1CCS(=O)(=O)C1 ZINC001358966442 1074359217 /nfs/dbraw/zinc/35/92/17/1074359217.db2.gz PCKMGGKGGFJROH-INIZCTEOSA-N 0 0 433.538 -0.097 20 30 IBEDRN C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCC(=O)NC)[C@@H]1CCS(=O)(=O)C1 ZINC001358966443 1074359197 /nfs/dbraw/zinc/35/91/97/1074359197.db2.gz PCKMGGKGGFJROH-MRXNPFEDSA-N 0 0 433.538 -0.097 20 30 IBEDRN C#CCN(c1nnc(CN2CCCC2=O)n1Cc1ccn(C)n1)[C@H]1CCS(=O)(=O)C1 ZINC001358966446 1074359561 /nfs/dbraw/zinc/35/95/61/1074359561.db2.gz PFLDMUQTSXQYBT-INIZCTEOSA-N 0 0 431.522 -0.191 20 30 IBEDRN C#CCN(c1nnc(CN2CCCC2=O)n1Cc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 ZINC001358966447 1074359512 /nfs/dbraw/zinc/35/95/12/1074359512.db2.gz PFLDMUQTSXQYBT-MRXNPFEDSA-N 0 0 431.522 -0.191 20 30 IBEDRN C#CCN(c1nnc(CC2CC2)n1CCN1CCCS1(=O)=O)[C@H]1CCS(=O)(=O)C1 ZINC001358966506 1074359646 /nfs/dbraw/zinc/35/96/46/1074359646.db2.gz QLTWBLIASADVOJ-INIZCTEOSA-N 0 0 441.579 -0.107 20 30 IBEDRN C#CCN(c1nnc(CC2CC2)n1CCN1CCCS1(=O)=O)[C@@H]1CCS(=O)(=O)C1 ZINC001358966507 1074359681 /nfs/dbraw/zinc/35/96/81/1074359681.db2.gz QLTWBLIASADVOJ-MRXNPFEDSA-N 0 0 441.579 -0.107 20 30 IBEDRN C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 ZINC001358966768 1074359580 /nfs/dbraw/zinc/35/95/80/1074359580.db2.gz WMDBAEJZRMCPEM-INIZCTEOSA-N 0 0 433.538 -0.145 20 30 IBEDRN C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001358966769 1074359637 /nfs/dbraw/zinc/35/96/37/1074359637.db2.gz WMDBAEJZRMCPEM-MRXNPFEDSA-N 0 0 433.538 -0.145 20 30 IBEDRN C#CCN(c1nnc(COCC)n1Cc1ccc(C(N)=O)nc1)[C@H]1CCS(=O)(=O)C1 ZINC001358966988 1074359712 /nfs/dbraw/zinc/35/97/12/1074359712.db2.gz AZRJXQLSFTVYMK-HNNXBMFYSA-N 0 0 432.506 -0.017 20 30 IBEDRN C#CCN(c1nnc(COCC)n1Cc1ccc(C(N)=O)nc1)[C@@H]1CCS(=O)(=O)C1 ZINC001358966989 1074359655 /nfs/dbraw/zinc/35/96/55/1074359655.db2.gz AZRJXQLSFTVYMK-OAHLLOKOSA-N 0 0 432.506 -0.017 20 30 IBEDRN C#CCN(c1nnc([C@H]2CCCO2)n1CC(=O)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001358967226 1074359706 /nfs/dbraw/zinc/35/97/06/1074359706.db2.gz GGYGHCYEQBIFNK-HZPDHXFCSA-N 0 0 437.522 -0.385 20 30 IBEDRN C#CCN(c1nnc([C@H]2CCCO2)n1CC(=O)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 ZINC001358967227 1074359666 /nfs/dbraw/zinc/35/96/66/1074359666.db2.gz GGYGHCYEQBIFNK-JKSUJKDBSA-N 0 0 437.522 -0.385 20 30 IBEDRN C#CCN(c1nnc(COCC)n1CCC[C@@H]1NC(=O)NC1=O)[C@H]1CCS(=O)(=O)C1 ZINC001358967286 1074359528 /nfs/dbraw/zinc/35/95/28/1074359528.db2.gz HKAUUSLUPLLECN-KBPBESRZSA-N 0 0 438.510 -0.571 20 30 IBEDRN C#CCN(c1nnc(COCC)n1CCC[C@@H]1NC(=O)NC1=O)[C@@H]1CCS(=O)(=O)C1 ZINC001358967287 1074359592 /nfs/dbraw/zinc/35/95/92/1074359592.db2.gz HKAUUSLUPLLECN-KGLIPLIRSA-N 0 0 438.510 -0.571 20 30 IBEDRN C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCNS(C)(=O)=O ZINC001358973741 1074359503 /nfs/dbraw/zinc/35/95/03/1074359503.db2.gz DLRKFJZFAYCBKH-UHFFFAOYSA-N 0 0 439.505 -0.067 20 30 IBEDRN C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCS(=O)(=O)N(C)C ZINC001358974060 1074359688 /nfs/dbraw/zinc/35/96/88/1074359688.db2.gz PSJOAIKANXZBHS-UHFFFAOYSA-N 0 0 439.505 -0.115 20 30 IBEDRN C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C(N)=O)CCCC1 ZINC001358978473 1074359696 /nfs/dbraw/zinc/35/96/96/1074359696.db2.gz NVJSXWPNNMGIEA-INIZCTEOSA-N 0 0 448.549 -0.271 20 30 IBEDRN C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C(N)=O)CCCC1 ZINC001358978474 1074359519 /nfs/dbraw/zinc/35/95/19/1074359519.db2.gz NVJSXWPNNMGIEA-MRXNPFEDSA-N 0 0 448.549 -0.271 20 30 IBEDRN C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCS(=O)(=O)NC(C)C ZINC001358978823 1074359602 /nfs/dbraw/zinc/35/96/02/1074359602.db2.gz VWRRJHZRYMABHP-HNNXBMFYSA-N 0 0 427.552 -0.419 20 30 IBEDRN C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCS(=O)(=O)NC(C)C ZINC001358978824 1074359570 /nfs/dbraw/zinc/35/95/70/1074359570.db2.gz VWRRJHZRYMABHP-OAHLLOKOSA-N 0 0 427.552 -0.419 20 30 IBEDRN C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1n[nH]c(C)n1 ZINC001358979044 1074359610 /nfs/dbraw/zinc/35/96/10/1074359610.db2.gz BBICUZHSTGAZKI-HNNXBMFYSA-N 0 0 432.510 -0.647 20 30 IBEDRN C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1n[nH]c(C)n1 ZINC001358979045 1074359536 /nfs/dbraw/zinc/35/95/36/1074359536.db2.gz BBICUZHSTGAZKI-OAHLLOKOSA-N 0 0 432.510 -0.647 20 30 IBEDRN C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C)nn1C ZINC001358979202 1074360069 /nfs/dbraw/zinc/36/00/69/1074360069.db2.gz GHNKIIVPYZTMOP-KRWDZBQOSA-N 0 0 431.522 -0.226 20 30 IBEDRN C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C)nn1C ZINC001358979203 1074359975 /nfs/dbraw/zinc/35/99/75/1074359975.db2.gz GHNKIIVPYZTMOP-QGZVFWFLSA-N 0 0 431.522 -0.226 20 30 IBEDRN C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCNC(=O)C1CC1 ZINC001358979416 1074360095 /nfs/dbraw/zinc/36/00/95/1074360095.db2.gz LWIGKYWWDWGMBN-INIZCTEOSA-N 0 0 434.522 -0.790 20 30 IBEDRN C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCNC(=O)C1CC1 ZINC001358979417 1074360000 /nfs/dbraw/zinc/36/00/00/1074360000.db2.gz LWIGKYWWDWGMBN-MRXNPFEDSA-N 0 0 434.522 -0.790 20 30 IBEDRN C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cn(C2COC2)nn1 ZINC001358984692 1074360077 /nfs/dbraw/zinc/36/00/77/1074360077.db2.gz DHUFIPKDKZDYOE-AWEZNQCLSA-N 0 0 432.510 -0.438 20 30 IBEDRN C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cn(C2COC2)nn1 ZINC001358984693 1074360055 /nfs/dbraw/zinc/36/00/55/1074360055.db2.gz DHUFIPKDKZDYOE-CQSZACIVSA-N 0 0 432.510 -0.438 20 30 IBEDRN C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(C(N)=O)CCOCC1 ZINC001358985341 1074360024 /nfs/dbraw/zinc/36/00/24/1074360024.db2.gz WNXWYGQFWWJZGN-HNNXBMFYSA-N 0 0 436.538 -0.367 20 30 IBEDRN C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(C(N)=O)CCOCC1 ZINC001358985342 1074359959 /nfs/dbraw/zinc/35/99/59/1074359959.db2.gz WNXWYGQFWWJZGN-OAHLLOKOSA-N 0 0 436.538 -0.367 20 30 IBEDRN C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOCCS(C)(=O)=O ZINC001358994113 1074360103 /nfs/dbraw/zinc/36/01/03/1074360103.db2.gz FNMZZQCBKZBQMJ-INIZCTEOSA-N 0 0 442.563 -0.296 20 30 IBEDRN C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOCCS(C)(=O)=O ZINC001358994114 1074359968 /nfs/dbraw/zinc/35/99/68/1074359968.db2.gz FNMZZQCBKZBQMJ-MRXNPFEDSA-N 0 0 442.563 -0.296 20 30 IBEDRN C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCn1ccnn1 ZINC001358994205 1074359938 /nfs/dbraw/zinc/35/99/38/1074359938.db2.gz HMWDYHGLYRXDBG-KRWDZBQOSA-N 0 0 446.537 -0.244 20 30 IBEDRN C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCn1ccnn1 ZINC001358994206 1074360113 /nfs/dbraw/zinc/36/01/13/1074360113.db2.gz HMWDYHGLYRXDBG-QGZVFWFLSA-N 0 0 446.537 -0.244 20 30 IBEDRN C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1ccn[nH]1 ZINC001358994371 1074360033 /nfs/dbraw/zinc/36/00/33/1074360033.db2.gz LLJWUZBVXAGDQV-HNNXBMFYSA-N 0 0 429.506 -0.204 20 30 IBEDRN C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1ccn[nH]1 ZINC001358994372 1074359944 /nfs/dbraw/zinc/35/99/44/1074359944.db2.gz LLJWUZBVXAGDQV-OAHLLOKOSA-N 0 0 429.506 -0.204 20 30 IBEDRN C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)NCC1CC1 ZINC001358994476 1074359993 /nfs/dbraw/zinc/35/99/93/1074359993.db2.gz OFCATSPXRHESBQ-KRWDZBQOSA-N 0 0 448.549 -0.400 20 30 IBEDRN C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)NCC1CC1 ZINC001358994477 1074359950 /nfs/dbraw/zinc/35/99/50/1074359950.db2.gz OFCATSPXRHESBQ-QGZVFWFLSA-N 0 0 448.549 -0.400 20 30 IBEDRN C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCn1cncn1 ZINC001358994867 1074359989 /nfs/dbraw/zinc/35/99/89/1074359989.db2.gz XWIWFTHURNRDFV-INIZCTEOSA-N 0 0 432.510 -0.634 20 30 IBEDRN C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCn1cncn1 ZINC001358994868 1074359981 /nfs/dbraw/zinc/35/99/81/1074359981.db2.gz XWIWFTHURNRDFV-MRXNPFEDSA-N 0 0 432.510 -0.634 20 30 IBEDRN C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC(=O)NC(C)C ZINC001359010122 1074360481 /nfs/dbraw/zinc/36/04/81/1074360481.db2.gz HENFTFUCROPGKF-HNNXBMFYSA-N 0 0 426.543 -0.015 20 30 IBEDRN C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC(=O)NC(C)C ZINC001359010123 1074360451 /nfs/dbraw/zinc/36/04/51/1074360451.db2.gz HENFTFUCROPGKF-OAHLLOKOSA-N 0 0 426.543 -0.015 20 30 IBEDRN C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(OC)CCOC1 ZINC001359010481 1074360419 /nfs/dbraw/zinc/36/04/19/1074360419.db2.gz QWMXZHYYQHXTBL-CRAIPNDOSA-N 0 0 427.527 -0.124 20 30 IBEDRN C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(OC)CCOC1 ZINC001359010482 1074360441 /nfs/dbraw/zinc/36/04/41/1074360441.db2.gz QWMXZHYYQHXTBL-MAUKXSAKSA-N 0 0 427.527 -0.124 20 30 IBEDRN C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(OC)CCOC1 ZINC001359010483 1074360367 /nfs/dbraw/zinc/36/03/67/1074360367.db2.gz QWMXZHYYQHXTBL-QAPCUYQASA-N 0 0 427.527 -0.124 20 30 IBEDRN C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(OC)CCOC1 ZINC001359010484 1074360434 /nfs/dbraw/zinc/36/04/34/1074360434.db2.gz QWMXZHYYQHXTBL-YJBOKZPZSA-N 0 0 427.527 -0.124 20 30 IBEDRN C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1CC1(O)CCS(=O)(=O)CC1 ZINC001359018296 1074360491 /nfs/dbraw/zinc/36/04/91/1074360491.db2.gz LACHHCQNCXLZPJ-UHFFFAOYSA-N 0 0 427.527 -0.558 20 30 IBEDRN C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1NC(=O)CC1(C)C ZINC001359018787 1074360377 /nfs/dbraw/zinc/36/03/77/1074360377.db2.gz CIXQGPJASFEMJH-KBPBESRZSA-N 0 0 426.543 -0.111 20 30 IBEDRN C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1NC(=O)CC1(C)C ZINC001359018788 1074360502 /nfs/dbraw/zinc/36/05/02/1074360502.db2.gz CIXQGPJASFEMJH-KGLIPLIRSA-N 0 0 426.543 -0.111 20 30 IBEDRN C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1NC(=O)CC1(C)C ZINC001359018789 1074360343 /nfs/dbraw/zinc/36/03/43/1074360343.db2.gz CIXQGPJASFEMJH-UONOGXRCSA-N 0 0 426.543 -0.111 20 30 IBEDRN C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1NC(=O)CC1(C)C ZINC001359018790 1074360426 /nfs/dbraw/zinc/36/04/26/1074360426.db2.gz CIXQGPJASFEMJH-ZIAGYGMSSA-N 0 0 426.543 -0.111 20 30 IBEDRN C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CCC1 ZINC001359023960 1074360329 /nfs/dbraw/zinc/36/03/29/1074360329.db2.gz BOPPZLBCOBHCPK-HNNXBMFYSA-N 0 0 427.527 -0.388 20 30 IBEDRN C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CCC1 ZINC001359023961 1074360512 /nfs/dbraw/zinc/36/05/12/1074360512.db2.gz BOPPZLBCOBHCPK-OAHLLOKOSA-N 0 0 427.527 -0.388 20 30 IBEDRN C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCS(=O)(=O)C1 ZINC001359024338 1074360851 /nfs/dbraw/zinc/36/08/51/1074360851.db2.gz KXHRDLILQPHEHU-CABCVRRESA-N 0 0 430.552 -0.299 20 30 IBEDRN C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCS(=O)(=O)C1 ZINC001359024339 1074360928 /nfs/dbraw/zinc/36/09/28/1074360928.db2.gz KXHRDLILQPHEHU-GJZGRUSLSA-N 0 0 430.552 -0.299 20 30 IBEDRN C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCS(=O)(=O)C1 ZINC001359024340 1074360897 /nfs/dbraw/zinc/36/08/97/1074360897.db2.gz KXHRDLILQPHEHU-HUUCEWRRSA-N 0 0 430.552 -0.299 20 30 IBEDRN C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCS(=O)(=O)C1 ZINC001359024341 1074360751 /nfs/dbraw/zinc/36/07/51/1074360751.db2.gz KXHRDLILQPHEHU-LSDHHAIUSA-N 0 0 430.552 -0.299 20 30 IBEDRN C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCCS1(=O)=O ZINC001359024857 1074360865 /nfs/dbraw/zinc/36/08/65/1074360865.db2.gz XCNMEKBCNNGSCX-HNNXBMFYSA-N 0 0 445.567 -0.698 20 30 IBEDRN C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCCS1(=O)=O ZINC001359024858 1074360873 /nfs/dbraw/zinc/36/08/73/1074360873.db2.gz XCNMEKBCNNGSCX-OAHLLOKOSA-N 0 0 445.567 -0.698 20 30 IBEDRN C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)NC(C)C ZINC001359024873 1074360857 /nfs/dbraw/zinc/36/08/57/1074360857.db2.gz XPLAESMWHMKWSB-HNNXBMFYSA-N 0 0 442.542 -0.778 20 30 IBEDRN C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)NC(C)C ZINC001359024874 1074360934 /nfs/dbraw/zinc/36/09/34/1074360934.db2.gz XPLAESMWHMKWSB-OAHLLOKOSA-N 0 0 442.542 -0.778 20 30 IBEDRN C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CC2(C(N)=O)CCOCC2)CC1 ZINC001359028052 1074360880 /nfs/dbraw/zinc/36/08/80/1074360880.db2.gz FSNHVDNJVAHAPW-UHFFFAOYSA-N 0 0 429.525 -0.449 20 30 IBEDRN C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCNC(=O)c2ccn[nH]2)CC1 ZINC001359028293 1074360915 /nfs/dbraw/zinc/36/09/15/1074360915.db2.gz NNQOGABRFQVFMS-UHFFFAOYSA-N 0 0 425.497 -0.578 20 30 IBEDRN C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCCN(CC)S(C)(=O)=O)CC1 ZINC001359028391 1074360808 /nfs/dbraw/zinc/36/08/08/1074360808.db2.gz QQUVUGJLPHTBHK-UHFFFAOYSA-N 0 0 439.586 -0.157 20 30 IBEDRN C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCOCCS(C)(=O)=O)CC1 ZINC001359028493 1074360819 /nfs/dbraw/zinc/36/08/19/1074360819.db2.gz UUCNQQBBHORSSL-UHFFFAOYSA-N 0 0 438.554 -0.670 20 30 IBEDRN C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCS(=O)(=O)NC)CC1 ZINC001359028575 1074360760 /nfs/dbraw/zinc/36/07/60/1074360760.db2.gz WXHRRGUAEHBJDT-UHFFFAOYSA-N 0 0 425.559 -0.499 20 30 IBEDRN C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccc(C(N)=O)c2)CC1 ZINC001359028732 1074360930 /nfs/dbraw/zinc/36/09/30/1074360930.db2.gz CLVOCCOOSDIRNU-HNNXBMFYSA-N 0 0 445.549 -0.209 20 30 IBEDRN C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccc(C(N)=O)c2)CC1 ZINC001359028733 1074360830 /nfs/dbraw/zinc/36/08/30/1074360830.db2.gz CLVOCCOOSDIRNU-OAHLLOKOSA-N 0 0 445.549 -0.209 20 30 IBEDRN C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001359028781 1074360844 /nfs/dbraw/zinc/36/08/44/1074360844.db2.gz DRSMPHKHPVWSGO-CABCVRRESA-N 0 0 444.583 -0.922 20 30 IBEDRN C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001359028782 1074361392 /nfs/dbraw/zinc/36/13/92/1074361392.db2.gz DRSMPHKHPVWSGO-GJZGRUSLSA-N 0 0 444.583 -0.922 20 30 IBEDRN C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCS(=O)(=O)C2)CC1 ZINC001359028783 1074361349 /nfs/dbraw/zinc/36/13/49/1074361349.db2.gz DRSMPHKHPVWSGO-HUUCEWRRSA-N 0 0 444.583 -0.922 20 30 IBEDRN C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCS(=O)(=O)C2)CC1 ZINC001359028784 1074361339 /nfs/dbraw/zinc/36/13/39/1074361339.db2.gz DRSMPHKHPVWSGO-LSDHHAIUSA-N 0 0 444.583 -0.922 20 30 IBEDRN C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCNC(=O)C(C)C)CC1 ZINC001359028890 1074361240 /nfs/dbraw/zinc/36/12/40/1074361240.db2.gz IHDWKUZWHPYBQU-INIZCTEOSA-N 0 0 439.586 -0.194 20 30 IBEDRN C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCNC(=O)C(C)C)CC1 ZINC001359028891 1074361324 /nfs/dbraw/zinc/36/13/24/1074361324.db2.gz IHDWKUZWHPYBQU-MRXNPFEDSA-N 0 0 439.586 -0.194 20 30 IBEDRN C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2NC(=O)CC2(C)C)CC1 ZINC001359029180 1074361401 /nfs/dbraw/zinc/36/14/01/1074361401.db2.gz QWBCLSLAIABVBL-CABCVRRESA-N 0 0 437.570 -0.442 20 30 IBEDRN C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2NC(=O)CC2(C)C)CC1 ZINC001359029181 1074361443 /nfs/dbraw/zinc/36/14/43/1074361443.db2.gz QWBCLSLAIABVBL-GJZGRUSLSA-N 0 0 437.570 -0.442 20 30 IBEDRN C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2NC(=O)CC2(C)C)CC1 ZINC001359029182 1074361183 /nfs/dbraw/zinc/36/11/83/1074361183.db2.gz QWBCLSLAIABVBL-HUUCEWRRSA-N 0 0 437.570 -0.442 20 30 IBEDRN C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2NC(=O)CC2(C)C)CC1 ZINC001359029183 1074361255 /nfs/dbraw/zinc/36/12/55/1074361255.db2.gz QWBCLSLAIABVBL-LSDHHAIUSA-N 0 0 437.570 -0.442 20 30 IBEDRN C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](C)N2CCOCC2)CC1 ZINC001359029234 1074361378 /nfs/dbraw/zinc/36/13/78/1074361378.db2.gz RUDUXQYFWCNQHV-DLBZAZTESA-N 0 0 439.586 -0.636 20 30 IBEDRN C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](C)N2CCOCC2)CC1 ZINC001359029235 1074361363 /nfs/dbraw/zinc/36/13/63/1074361363.db2.gz RUDUXQYFWCNQHV-IAGOWNOFSA-N 0 0 439.586 -0.636 20 30 IBEDRN C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C)N2CCOCC2)CC1 ZINC001359029236 1074361264 /nfs/dbraw/zinc/36/12/64/1074361264.db2.gz RUDUXQYFWCNQHV-IRXDYDNUSA-N 0 0 439.586 -0.636 20 30 IBEDRN C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)N2CCOCC2)CC1 ZINC001359029237 1074361423 /nfs/dbraw/zinc/36/14/23/1074361423.db2.gz RUDUXQYFWCNQHV-SJORKVTESA-N 0 0 439.586 -0.636 20 30 IBEDRN C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCC(=O)N[C@H](C)CC)CC1 ZINC001359029460 1074361283 /nfs/dbraw/zinc/36/12/83/1074361283.db2.gz YNOVHSVOISCNAA-CVEARBPZSA-N 0 0 439.586 -0.052 20 30 IBEDRN C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCC(=O)N[C@@H](C)CC)CC1 ZINC001359029461 1074361206 /nfs/dbraw/zinc/36/12/06/1074361206.db2.gz YNOVHSVOISCNAA-HOTGVXAUSA-N 0 0 439.586 -0.052 20 30 IBEDRN C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCC(=O)N[C@H](C)CC)CC1 ZINC001359029462 1074361300 /nfs/dbraw/zinc/36/13/00/1074361300.db2.gz YNOVHSVOISCNAA-HZPDHXFCSA-N 0 0 439.586 -0.052 20 30 IBEDRN C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCC(=O)N[C@@H](C)CC)CC1 ZINC001359029463 1074361222 /nfs/dbraw/zinc/36/12/22/1074361222.db2.gz YNOVHSVOISCNAA-JKSUJKDBSA-N 0 0 439.586 -0.052 20 30 IBEDRN C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 ZINC001359034454 1074361313 /nfs/dbraw/zinc/36/13/13/1074361313.db2.gz RGIGRMVCZBVXIT-FQEVSTJZSA-N 0 0 430.534 -0.047 20 30 IBEDRN C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 ZINC001359034455 1074361356 /nfs/dbraw/zinc/36/13/56/1074361356.db2.gz RGIGRMVCZBVXIT-HXUWFJFHSA-N 0 0 430.534 -0.047 20 30 IBEDRN C#CCN1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCCOC)CC1 ZINC001359035667 1074361460 /nfs/dbraw/zinc/36/14/60/1074361460.db2.gz ASJMNWCOHHYXLY-KRWDZBQOSA-N 0 0 440.570 -0.207 20 30 IBEDRN C#CCN1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCCOC)CC1 ZINC001359035668 1074361859 /nfs/dbraw/zinc/36/18/59/1074361859.db2.gz ASJMNWCOHHYXLY-QGZVFWFLSA-N 0 0 440.570 -0.207 20 30 IBEDRN C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C(N)=O)nc2)CC1 ZINC001359035695 1074361886 /nfs/dbraw/zinc/36/18/86/1074361886.db2.gz BPBGYUOAAXZOMB-INIZCTEOSA-N 0 0 443.533 -0.522 20 30 IBEDRN C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C(N)=O)nc2)CC1 ZINC001359035696 1074361937 /nfs/dbraw/zinc/36/19/37/1074361937.db2.gz BPBGYUOAAXZOMB-MRXNPFEDSA-N 0 0 443.533 -0.522 20 30 IBEDRN C#CCN1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2(O)CCC2)CC1 ZINC001359035888 1074361767 /nfs/dbraw/zinc/36/17/67/1074361767.db2.gz HMEATJOHCHRDIW-INIZCTEOSA-N 0 0 438.554 -0.719 20 30 IBEDRN C#CCN1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2(O)CCC2)CC1 ZINC001359035889 1074361817 /nfs/dbraw/zinc/36/18/17/1074361817.db2.gz HMEATJOHCHRDIW-MRXNPFEDSA-N 0 0 438.554 -0.719 20 30 IBEDRN C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCS(C)(=O)=O)CC1 ZINC001359035919 1074361830 /nfs/dbraw/zinc/36/18/30/1074361830.db2.gz IJPBOADMTYRGHR-HNNXBMFYSA-N 0 0 429.568 -0.630 20 30 IBEDRN C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCS(C)(=O)=O)CC1 ZINC001359035920 1074361930 /nfs/dbraw/zinc/36/19/30/1074361930.db2.gz IJPBOADMTYRGHR-OAHLLOKOSA-N 0 0 429.568 -0.630 20 30 IBEDRN C#CCN1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2(C)COC2)CC1 ZINC001359035940 1074361848 /nfs/dbraw/zinc/36/18/48/1074361848.db2.gz JARGKIBJEWRYAO-INIZCTEOSA-N 0 0 438.554 -0.597 20 30 IBEDRN C#CCN1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2(C)COC2)CC1 ZINC001359035941 1074361835 /nfs/dbraw/zinc/36/18/35/1074361835.db2.gz JARGKIBJEWRYAO-MRXNPFEDSA-N 0 0 438.554 -0.597 20 30 IBEDRN C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCS(=O)(=O)CC=C)CC1 ZINC001359036052 1074361944 /nfs/dbraw/zinc/36/19/44/1074361944.db2.gz LLOLZHORLPZQPB-INIZCTEOSA-N 0 0 441.579 -0.464 20 30 IBEDRN C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCS(=O)(=O)CC=C)CC1 ZINC001359036053 1074361760 /nfs/dbraw/zinc/36/17/60/1074361760.db2.gz LLOLZHORLPZQPB-MRXNPFEDSA-N 0 0 441.579 -0.464 20 30 IBEDRN C#CCN1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2cn[nH]c2)CC1 ZINC001359036273 1074361781 /nfs/dbraw/zinc/36/17/81/1074361781.db2.gz RVJCNQHYBSZIEN-KRWDZBQOSA-N 0 0 448.553 -0.668 20 30 IBEDRN C#CCN1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2cn[nH]c2)CC1 ZINC001359036274 1074361913 /nfs/dbraw/zinc/36/19/13/1074361913.db2.gz RVJCNQHYBSZIEN-QGZVFWFLSA-N 0 0 448.553 -0.668 20 30 IBEDRN C#CCN1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccn(C)n2)CC1 ZINC001359036439 1074361741 /nfs/dbraw/zinc/36/17/41/1074361741.db2.gz WRBMJPLKWGFYDL-KRWDZBQOSA-N 0 0 448.553 -0.852 20 30 IBEDRN C#CCN1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccn(C)n2)CC1 ZINC001359036440 1074361963 /nfs/dbraw/zinc/36/19/63/1074361963.db2.gz WRBMJPLKWGFYDL-QGZVFWFLSA-N 0 0 448.553 -0.852 20 30 IBEDRN C#CCN1CCN(c2nnc(Cc3cccnc3)n2CC2(O)CCS(=O)(=O)CC2)CC1 ZINC001359036621 1074361893 /nfs/dbraw/zinc/36/18/93/1074361893.db2.gz BXWIKUAQHCIORC-UHFFFAOYSA-N 0 0 444.561 -0.041 20 30 IBEDRN C#CCN1CCN(c2nnc(Cc3ccccn3)n2CC2(O)CCS(=O)(=O)CC2)CC1 ZINC001359036919 1074361951 /nfs/dbraw/zinc/36/19/51/1074361951.db2.gz OAJFTDURKLROKY-UHFFFAOYSA-N 0 0 444.561 -0.041 20 30 IBEDRN C#CCN1CCN(c2nnc(Cc3ccncc3)n2CC2(O)CCS(=O)(=O)CC2)CC1 ZINC001359037341 1074361903 /nfs/dbraw/zinc/36/19/03/1074361903.db2.gz GFHNXABFEBFXSR-UHFFFAOYSA-N 0 0 444.561 -0.041 20 30 IBEDRN C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCS(=O)(=O)NC(C)C)CC1 ZINC001359038412 1074362350 /nfs/dbraw/zinc/36/23/50/1074362350.db2.gz VJWZCGFRNAFQSV-UHFFFAOYSA-N 0 0 437.570 -0.517 20 30 IBEDRN C#CCN1CCN(c2nnc(COCC)n2CCS(=O)(=O)N2CCSCC2)CC1 ZINC001359039665 1074362270 /nfs/dbraw/zinc/36/22/70/1074362270.db2.gz QQUOYDGTTAUOSA-UHFFFAOYSA-N 0 0 442.611 -0.052 20 30 IBEDRN C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC(=O)N2CCOCC2)CC1 ZINC001359040170 1074362194 /nfs/dbraw/zinc/36/21/94/1074362194.db2.gz KMKVDKUZURENCF-HKUYNNGSSA-N 0 0 432.525 -0.384 20 30 IBEDRN C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2nnn(C)n2)CC1 ZINC001359040176 1074362399 /nfs/dbraw/zinc/36/23/99/1074362399.db2.gz KQYHRNXSQPZJRZ-UHFFFAOYSA-N 0 0 442.528 -0.266 20 30 IBEDRN C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2COCCO2)CC1 ZINC001359040257 1074362421 /nfs/dbraw/zinc/36/24/21/1074362421.db2.gz NQJFPQUSVINNHG-KRWDZBQOSA-N 0 0 430.509 -0.105 20 30 IBEDRN C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2COCCO2)CC1 ZINC001359040258 1074362214 /nfs/dbraw/zinc/36/22/14/1074362214.db2.gz NQJFPQUSVINNHG-QGZVFWFLSA-N 0 0 430.509 -0.105 20 30 IBEDRN C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCS(=O)(=O)N(C)C)CC1 ZINC001359040292 1074362293 /nfs/dbraw/zinc/36/22/93/1074362293.db2.gz OHPNYRGAXXLEOA-IRXDYDNUSA-N 0 0 440.570 -0.351 20 30 IBEDRN C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCCNS(C)(=O)=O)CC1 ZINC001359040320 1074362376 /nfs/dbraw/zinc/36/23/76/1074362376.db2.gz PDXLQRHCNAWPNE-IRXDYDNUSA-N 0 0 440.570 -0.303 20 30 IBEDRN C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCn2cncn2)CC1 ZINC001359041135 1074362225 /nfs/dbraw/zinc/36/22/25/1074362225.db2.gz ODZSVOUUCRYDMD-AWEZNQCLSA-N 0 0 449.541 -0.854 20 30 IBEDRN C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCn2cncn2)CC1 ZINC001359041136 1074362183 /nfs/dbraw/zinc/36/21/83/1074362183.db2.gz ODZSVOUUCRYDMD-CQSZACIVSA-N 0 0 449.541 -0.854 20 30 IBEDRN C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2nncn2C)CC1 ZINC001359041185 1074362370 /nfs/dbraw/zinc/36/23/70/1074362370.db2.gz PGCIXDNXODXARY-CYBMUJFWSA-N 0 0 449.541 -0.969 20 30 IBEDRN C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2nncn2C)CC1 ZINC001359041186 1074362330 /nfs/dbraw/zinc/36/23/30/1074362330.db2.gz PGCIXDNXODXARY-ZDUSSCGKSA-N 0 0 449.541 -0.969 20 30 IBEDRN C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cnnn2C)CC1 ZINC001359041412 1074362320 /nfs/dbraw/zinc/36/23/20/1074362320.db2.gz VXIQOMLCRCJHOC-CYBMUJFWSA-N 0 0 449.541 -0.969 20 30 IBEDRN C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cnnn2C)CC1 ZINC001359041413 1074362235 /nfs/dbraw/zinc/36/22/35/1074362235.db2.gz VXIQOMLCRCJHOC-ZDUSSCGKSA-N 0 0 449.541 -0.969 20 30 IBEDRN C#CCNC(=O)C1CCN(c2nnc(C)n2CCS(=O)(=O)N2CCSCC2)CC1 ZINC001359041751 1074362258 /nfs/dbraw/zinc/36/22/58/1074362258.db2.gz HIRXXRJMPIWOCT-UHFFFAOYSA-N 0 0 440.595 -0.069 20 30 IBEDRN C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(=O)NCC(F)F)CC1 ZINC001359044524 1074362246 /nfs/dbraw/zinc/36/22/46/1074362246.db2.gz IIPIPXGUDZLYRP-CYBMUJFWSA-N 0 0 437.451 -0.424 20 30 IBEDRN C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(=O)NCC(F)F)CC1 ZINC001359044525 1074362341 /nfs/dbraw/zinc/36/23/41/1074362341.db2.gz IIPIPXGUDZLYRP-ZDUSSCGKSA-N 0 0 437.451 -0.424 20 30 IBEDRN C#CCNC(=O)C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCC)CC1 ZINC001359045374 1074362311 /nfs/dbraw/zinc/36/23/11/1074362311.db2.gz FGSRBAUKBFNVKR-INIZCTEOSA-N 0 0 438.554 -0.013 20 30 IBEDRN C#CCNC(=O)C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCC)CC1 ZINC001359045375 1074362872 /nfs/dbraw/zinc/36/28/72/1074362872.db2.gz FGSRBAUKBFNVKR-MRXNPFEDSA-N 0 0 438.554 -0.013 20 30 IBEDRN C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(=O)N(C)C)CC1 ZINC001359045639 1074362785 /nfs/dbraw/zinc/36/27/85/1074362785.db2.gz OJDDCATUUNLZOH-HNNXBMFYSA-N 0 0 436.538 -0.766 20 30 IBEDRN C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(=O)N(C)C)CC1 ZINC001359045640 1074362802 /nfs/dbraw/zinc/36/28/02/1074362802.db2.gz OJDDCATUUNLZOH-OAHLLOKOSA-N 0 0 436.538 -0.766 20 30 IBEDRN C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCS(=O)(=O)NC)CC1 ZINC001359046182 1074362858 /nfs/dbraw/zinc/36/28/58/1074362858.db2.gz HQIYKCGEYOILTE-UHFFFAOYSA-N 0 0 445.549 -0.221 20 30 IBEDRN C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCNS(C)(=O)=O)CC1 ZINC001359046221 1074362865 /nfs/dbraw/zinc/36/28/65/1074362865.db2.gz JHHJSTOZOXMODD-UHFFFAOYSA-N 0 0 445.549 -0.221 20 30 IBEDRN C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCn2cncn2)CC1 ZINC001359046868 1074362810 /nfs/dbraw/zinc/36/28/10/1074362810.db2.gz JAKFDGVAAVFEAA-UHFFFAOYSA-N 0 0 425.497 -0.342 20 30 IBEDRN C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCCNC(C)=O)CC1 ZINC001359046933 1074362827 /nfs/dbraw/zinc/36/28/27/1074362827.db2.gz LFAKGPFWCVNCNI-UHFFFAOYSA-N 0 0 429.525 -0.108 20 30 IBEDRN C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCNC(=O)C2CC2)CC1 ZINC001359047295 1074362817 /nfs/dbraw/zinc/36/28/17/1074362817.db2.gz ZWAFPEDXVCYDBS-UHFFFAOYSA-N 0 0 441.536 -0.108 20 30 IBEDRN C#CCNC(=O)C1CCN(c2nnc(COCC)n2CCC[C@@H]2NC(=O)NC2=O)CC1 ZINC001359047715 1074362775 /nfs/dbraw/zinc/36/27/75/1074362775.db2.gz QSKOIOFZZSNMMU-HNNXBMFYSA-N 0 0 431.497 -0.231 20 30 IBEDRN C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001359048650 1074362843 /nfs/dbraw/zinc/36/28/43/1074362843.db2.gz XXJSCTDHDBUSCB-AWEZNQCLSA-N 0 0 431.522 -0.973 20 30 IBEDRN C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001359048651 1074362748 /nfs/dbraw/zinc/36/27/48/1074362748.db2.gz XXJSCTDHDBUSCB-CQSZACIVSA-N 0 0 431.522 -0.973 20 30 IBEDRN C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 ZINC001359055851 1074362734 /nfs/dbraw/zinc/36/27/34/1074362734.db2.gz QXEMAWULRDDXGG-HNNXBMFYSA-N 0 0 447.565 -0.231 20 30 IBEDRN C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 ZINC001359055852 1074362853 /nfs/dbraw/zinc/36/28/53/1074362853.db2.gz QXEMAWULRDDXGG-OAHLLOKOSA-N 0 0 447.565 -0.231 20 30 IBEDRN C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)N1CCOCC1 ZINC001359056437 1074362794 /nfs/dbraw/zinc/36/27/94/1074362794.db2.gz FLTPSPDQRCTUIW-HNNXBMFYSA-N 0 0 441.579 -0.158 20 30 IBEDRN C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)N1CCOCC1 ZINC001359056438 1074362766 /nfs/dbraw/zinc/36/27/66/1074362766.db2.gz FLTPSPDQRCTUIW-OAHLLOKOSA-N 0 0 441.579 -0.158 20 30 IBEDRN C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOC)C(=O)C1 ZINC001359056649 1074362847 /nfs/dbraw/zinc/36/28/47/1074362847.db2.gz IZLPKCOLPZIAFV-HNNXBMFYSA-N 0 0 441.579 -0.158 20 30 IBEDRN C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOC)C(=O)C1 ZINC001359056650 1074362757 /nfs/dbraw/zinc/36/27/57/1074362757.db2.gz IZLPKCOLPZIAFV-OAHLLOKOSA-N 0 0 441.579 -0.158 20 30 IBEDRN C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C(=O)NC)C1 ZINC001359056893 1074362835 /nfs/dbraw/zinc/36/28/35/1074362835.db2.gz NMLMYSFULKCSNW-KBPBESRZSA-N 0 0 427.552 -0.502 20 30 IBEDRN C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C(=O)NC)C1 ZINC001359056894 1074362721 /nfs/dbraw/zinc/36/27/21/1074362721.db2.gz NMLMYSFULKCSNW-KGLIPLIRSA-N 0 0 427.552 -0.502 20 30 IBEDRN C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C(=O)NC)C1 ZINC001359056895 1074362707 /nfs/dbraw/zinc/36/27/07/1074362707.db2.gz NMLMYSFULKCSNW-UONOGXRCSA-N 0 0 427.552 -0.502 20 30 IBEDRN C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C(=O)NC)C1 ZINC001359056896 1074363271 /nfs/dbraw/zinc/36/32/71/1074363271.db2.gz NMLMYSFULKCSNW-ZIAGYGMSSA-N 0 0 427.552 -0.502 20 30 IBEDRN C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C)C(=O)C1 ZINC001359133037 1074363225 /nfs/dbraw/zinc/36/32/25/1074363225.db2.gz KLACBRSUZZKUON-HNNXBMFYSA-N 0 0 442.542 -0.518 20 30 IBEDRN C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C)C(=O)C1 ZINC001359133038 1074363094 /nfs/dbraw/zinc/36/30/94/1074363094.db2.gz KLACBRSUZZKUON-OAHLLOKOSA-N 0 0 442.542 -0.518 20 30 IBEDRN C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1 ZINC001359133209 1074363250 /nfs/dbraw/zinc/36/32/50/1074363250.db2.gz NFCHCARGXGRZPX-CVEARBPZSA-N 0 0 440.526 -0.068 20 30 IBEDRN C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1 ZINC001359133210 1074363219 /nfs/dbraw/zinc/36/32/19/1074363219.db2.gz NFCHCARGXGRZPX-HOTGVXAUSA-N 0 0 440.526 -0.068 20 30 IBEDRN C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1 ZINC001359133211 1074363145 /nfs/dbraw/zinc/36/31/45/1074363145.db2.gz NFCHCARGXGRZPX-HZPDHXFCSA-N 0 0 440.526 -0.068 20 30 IBEDRN C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1 ZINC001359133212 1074363243 /nfs/dbraw/zinc/36/32/43/1074363243.db2.gz NFCHCARGXGRZPX-JKSUJKDBSA-N 0 0 440.526 -0.068 20 30 IBEDRN C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCS(C)(=O)=O ZINC001359151374 1074363300 /nfs/dbraw/zinc/36/33/00/1074363300.db2.gz SCKAHSOMONXHLN-GFCCVEGCSA-N 0 0 441.963 -0.156 20 30 IBEDRN C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCS(C)(=O)=O ZINC001359151375 1074363107 /nfs/dbraw/zinc/36/31/07/1074363107.db2.gz SCKAHSOMONXHLN-LBPRGKRZSA-N 0 0 441.963 -0.156 20 30 IBEDRN C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS(=O)(=O)CC1 ZINC001359151656 1074363175 /nfs/dbraw/zinc/36/31/75/1074363175.db2.gz YHJKFPBDRWUWLV-GFCCVEGCSA-N 0 0 439.947 -0.402 20 30 IBEDRN C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS(=O)(=O)CC1 ZINC001359151657 1074363121 /nfs/dbraw/zinc/36/31/21/1074363121.db2.gz YHJKFPBDRWUWLV-LBPRGKRZSA-N 0 0 439.947 -0.402 20 30 IBEDRN C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCNS(C)(=O)=O)CC1 ZINC001359165593 1074363168 /nfs/dbraw/zinc/36/31/68/1074363168.db2.gz SCRUOZPJYIVLHW-AWEZNQCLSA-N 0 0 448.571 -0.683 20 30 IBEDRN C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCNS(C)(=O)=O)CC1 ZINC001359165594 1074363158 /nfs/dbraw/zinc/36/31/58/1074363158.db2.gz SCRUOZPJYIVLHW-CQSZACIVSA-N 0 0 448.571 -0.683 20 30 IBEDRN C=CCCCn1c(C(=O)NC(C)C)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 ZINC001359207469 1074364119 /nfs/dbraw/zinc/36/41/19/1074364119.db2.gz LRMZORGKLSGDPN-UHFFFAOYSA-N 0 0 445.528 -0.151 20 30 IBEDRN C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001359209031 1074364176 /nfs/dbraw/zinc/36/41/76/1074364176.db2.gz ZEGGPZRLFZVJKA-CHWSQXEVSA-N 0 0 425.515 -0.999 20 30 IBEDRN C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001359209032 1074364238 /nfs/dbraw/zinc/36/42/38/1074364238.db2.gz ZEGGPZRLFZVJKA-OLZOCXBDSA-N 0 0 425.515 -0.999 20 30 IBEDRN C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001359209033 1074364779 /nfs/dbraw/zinc/36/47/79/1074364779.db2.gz ZEGGPZRLFZVJKA-QWHCGFSZSA-N 0 0 425.515 -0.999 20 30 IBEDRN C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001359209034 1074364767 /nfs/dbraw/zinc/36/47/67/1074364767.db2.gz ZEGGPZRLFZVJKA-STQMWFEESA-N 0 0 425.515 -0.999 20 30 IBEDRN C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC001359222114 1074364587 /nfs/dbraw/zinc/36/45/87/1074364587.db2.gz YCVAAWZAURWESP-UHFFFAOYSA-N 0 0 447.540 -0.064 20 30 IBEDRN C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)NCC(F)(F)F ZINC001359240871 1074364527 /nfs/dbraw/zinc/36/45/27/1074364527.db2.gz ZBVZNEGKOXZULX-LLVKDONJSA-N 0 0 440.448 -0.088 20 30 IBEDRN C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)NCC(F)(F)F ZINC001359240872 1074364791 /nfs/dbraw/zinc/36/47/91/1074364791.db2.gz ZBVZNEGKOXZULX-NSHDSACASA-N 0 0 440.448 -0.088 20 30 IBEDRN C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 ZINC001359287473 1074365643 /nfs/dbraw/zinc/36/56/43/1074365643.db2.gz FXDGPJXWIQNLNU-KBPBESRZSA-N 0 0 433.556 -0.190 20 30 IBEDRN C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 ZINC001359287474 1074365637 /nfs/dbraw/zinc/36/56/37/1074365637.db2.gz FXDGPJXWIQNLNU-KGLIPLIRSA-N 0 0 433.556 -0.190 20 30 IBEDRN C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 ZINC001359287475 1074365628 /nfs/dbraw/zinc/36/56/28/1074365628.db2.gz FXDGPJXWIQNLNU-UONOGXRCSA-N 0 0 433.556 -0.190 20 30 IBEDRN C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 ZINC001359287476 1074365834 /nfs/dbraw/zinc/36/58/34/1074365834.db2.gz FXDGPJXWIQNLNU-ZIAGYGMSSA-N 0 0 433.556 -0.190 20 30 IBEDRN C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 ZINC001359287833 1074365764 /nfs/dbraw/zinc/36/57/64/1074365764.db2.gz YPNFKBPQHNXFAA-CXAGYDPISA-N 0 0 426.499 -0.172 20 30 IBEDRN C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 ZINC001359287834 1074365751 /nfs/dbraw/zinc/36/57/51/1074365751.db2.gz YPNFKBPQHNXFAA-DYVFJYSZSA-N 0 0 426.499 -0.172 20 30 IBEDRN C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 ZINC001359287835 1074365706 /nfs/dbraw/zinc/36/57/06/1074365706.db2.gz YPNFKBPQHNXFAA-GUYCJALGSA-N 0 0 426.499 -0.172 20 30 IBEDRN C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 ZINC001359287836 1074365685 /nfs/dbraw/zinc/36/56/85/1074365685.db2.gz YPNFKBPQHNXFAA-SUMWQHHRSA-N 0 0 426.499 -0.172 20 30 IBEDRN C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(N2CCNC2=O)CC1 ZINC001359291144 1074366108 /nfs/dbraw/zinc/36/61/08/1074366108.db2.gz GNIZCNSHMQTLSX-UHFFFAOYSA-N 0 0 430.513 -0.190 20 30 IBEDRN C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(NC(=O)COC)CC1 ZINC001359291289 1074366077 /nfs/dbraw/zinc/36/60/77/1074366077.db2.gz KYHPCQHLQYHQCD-UHFFFAOYSA-N 0 0 433.513 -0.452 20 30 IBEDRN C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001359291552 1074366132 /nfs/dbraw/zinc/36/61/32/1074366132.db2.gz VGENQRWVOHKSHK-CYBMUJFWSA-N 0 0 433.494 -0.149 20 30 IBEDRN C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001359291553 1074366266 /nfs/dbraw/zinc/36/62/66/1074366266.db2.gz VGENQRWVOHKSHK-ZDUSSCGKSA-N 0 0 433.494 -0.149 20 30 IBEDRN C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C(=O)OC)C1 ZINC001359291982 1074366126 /nfs/dbraw/zinc/36/61/26/1074366126.db2.gz GCAQIMAXWQJQRJ-CHWSQXEVSA-N 0 0 428.515 -0.420 20 30 IBEDRN C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C(=O)OC)C1 ZINC001359291983 1074366119 /nfs/dbraw/zinc/36/61/19/1074366119.db2.gz GCAQIMAXWQJQRJ-OLZOCXBDSA-N 0 0 428.515 -0.420 20 30 IBEDRN C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C(=O)OC)C1 ZINC001359291984 1074366233 /nfs/dbraw/zinc/36/62/33/1074366233.db2.gz GCAQIMAXWQJQRJ-QWHCGFSZSA-N 0 0 428.515 -0.420 20 30 IBEDRN C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C(=O)OC)C1 ZINC001359291985 1074366201 /nfs/dbraw/zinc/36/62/01/1074366201.db2.gz GCAQIMAXWQJQRJ-STQMWFEESA-N 0 0 428.515 -0.420 20 30 IBEDRN C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC001359292169 1074366283 /nfs/dbraw/zinc/36/62/83/1074366283.db2.gz JKKDZORVEGRGPD-INIZCTEOSA-N 0 0 447.540 -0.399 20 30 IBEDRN C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC001359292170 1074366245 /nfs/dbraw/zinc/36/62/45/1074366245.db2.gz JKKDZORVEGRGPD-MRXNPFEDSA-N 0 0 447.540 -0.399 20 30 IBEDRN C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)OC)CC1 ZINC001359292536 1074366167 /nfs/dbraw/zinc/36/61/67/1074366167.db2.gz RSFFDZDKIHXNEE-GFCCVEGCSA-N 0 0 428.515 -0.420 20 30 IBEDRN C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)OC)CC1 ZINC001359292537 1074366211 /nfs/dbraw/zinc/36/62/11/1074366211.db2.gz RSFFDZDKIHXNEE-LBPRGKRZSA-N 0 0 428.515 -0.420 20 30 IBEDRN C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CNC(C)=O)CC1 ZINC001359292647 1074366225 /nfs/dbraw/zinc/36/62/25/1074366225.db2.gz UVWUONLNPGCUPL-CYBMUJFWSA-N 0 0 441.558 -0.457 20 30 IBEDRN C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CNC(C)=O)CC1 ZINC001359292648 1074366257 /nfs/dbraw/zinc/36/62/57/1074366257.db2.gz UVWUONLNPGCUPL-ZDUSSCGKSA-N 0 0 441.558 -0.457 20 30 IBEDRN C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 ZINC001359297920 1074366069 /nfs/dbraw/zinc/36/60/69/1074366069.db2.gz HALFIGFNHYISNR-UHFFFAOYSA-N 0 0 443.512 -0.445 20 30 IBEDRN C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC(CNS(C)(=O)=O)CC1 ZINC001359298329 1074366142 /nfs/dbraw/zinc/36/61/42/1074366142.db2.gz VZOZDRZQJSBROW-UHFFFAOYSA-N 0 0 434.526 -0.197 20 30 IBEDRN C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)NC(C)C)CC1 ZINC001359298427 1074366161 /nfs/dbraw/zinc/36/61/61/1074366161.db2.gz ZAZRASUGIVAZQE-UHFFFAOYSA-N 0 0 429.529 -0.373 20 30 IBEDRN C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCN(C)C(=O)C1 ZINC001359299032 1074366725 /nfs/dbraw/zinc/36/67/25/1074366725.db2.gz SBBVXKCBMGAQBY-UHFFFAOYSA-N 0 0 436.476 -0.227 20 30 IBEDRN C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC001359299673 1074366598 /nfs/dbraw/zinc/36/65/98/1074366598.db2.gz KVVLCQUSLPYWJN-GJZGRUSLSA-N 0 0 426.543 -0.056 20 30 IBEDRN C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC001359299674 1074366712 /nfs/dbraw/zinc/36/67/12/1074366712.db2.gz KVVLCQUSLPYWJN-LSDHHAIUSA-N 0 0 426.543 -0.056 20 30 IBEDRN C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 ZINC001359299908 1074366578 /nfs/dbraw/zinc/36/65/78/1074366578.db2.gz PNLOLCMUFMDYBL-CABCVRRESA-N 0 0 426.543 -0.008 20 30 IBEDRN C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 ZINC001359299909 1074366609 /nfs/dbraw/zinc/36/66/09/1074366609.db2.gz PNLOLCMUFMDYBL-GJZGRUSLSA-N 0 0 426.543 -0.008 20 30 IBEDRN C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 ZINC001359299910 1074366655 /nfs/dbraw/zinc/36/66/55/1074366655.db2.gz PNLOLCMUFMDYBL-HUUCEWRRSA-N 0 0 426.543 -0.008 20 30 IBEDRN C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 ZINC001359299911 1074366541 /nfs/dbraw/zinc/36/65/41/1074366541.db2.gz PNLOLCMUFMDYBL-LSDHHAIUSA-N 0 0 426.543 -0.008 20 30 IBEDRN C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 ZINC001359300140 1074366643 /nfs/dbraw/zinc/36/66/43/1074366643.db2.gz VBTLQWIUSDZTQN-UHFFFAOYSA-N 0 0 431.541 -0.171 20 30 IBEDRN C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccnc(C)n2)CC1 ZINC001359300193 1074366688 /nfs/dbraw/zinc/36/66/88/1074366688.db2.gz WEJSDVSLTJIRGJ-HNNXBMFYSA-N 0 0 425.497 -0.044 20 30 IBEDRN C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccnc(C)n2)CC1 ZINC001359300194 1074366667 /nfs/dbraw/zinc/36/66/67/1074366667.db2.gz WEJSDVSLTJIRGJ-OAHLLOKOSA-N 0 0 425.497 -0.044 20 30 IBEDRN C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C)CC1 ZINC001359300333 1074366548 /nfs/dbraw/zinc/36/65/48/1074366548.db2.gz ZJWLYWTYBHHVQI-HNNXBMFYSA-N 0 0 425.497 -0.044 20 30 IBEDRN C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C)CC1 ZINC001359300334 1074366525 /nfs/dbraw/zinc/36/65/25/1074366525.db2.gz ZJWLYWTYBHHVQI-OAHLLOKOSA-N 0 0 425.497 -0.044 20 30 IBEDRN C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccnn2)CC1 ZINC001359300412 1074366586 /nfs/dbraw/zinc/36/65/86/1074366586.db2.gz BCXZXLJDSRSECD-HNNXBMFYSA-N 0 0 446.537 -0.401 20 30 IBEDRN C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccnn2)CC1 ZINC001359300413 1074366759 /nfs/dbraw/zinc/36/67/59/1074366759.db2.gz BCXZXLJDSRSECD-OAHLLOKOSA-N 0 0 446.537 -0.401 20 30 IBEDRN C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C#N ZINC001359300573 1074366622 /nfs/dbraw/zinc/36/66/22/1074366622.db2.gz FVBJLYIDVRIYNT-KBPBESRZSA-N 0 0 425.515 -0.491 20 30 IBEDRN C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N ZINC001359300574 1074366631 /nfs/dbraw/zinc/36/66/31/1074366631.db2.gz FVBJLYIDVRIYNT-KGLIPLIRSA-N 0 0 425.515 -0.491 20 30 IBEDRN C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C#N ZINC001359300575 1074366557 /nfs/dbraw/zinc/36/65/57/1074366557.db2.gz FVBJLYIDVRIYNT-UONOGXRCSA-N 0 0 425.515 -0.491 20 30 IBEDRN C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N ZINC001359300576 1074366568 /nfs/dbraw/zinc/36/65/68/1074366568.db2.gz FVBJLYIDVRIYNT-ZIAGYGMSSA-N 0 0 425.515 -0.491 20 30 IBEDRN C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 ZINC001359300642 1074366747 /nfs/dbraw/zinc/36/67/47/1074366747.db2.gz HGJAQCJSXRSWKZ-KBPBESRZSA-N 0 0 437.526 -0.962 20 30 IBEDRN C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 ZINC001359300643 1074366737 /nfs/dbraw/zinc/36/67/37/1074366737.db2.gz HGJAQCJSXRSWKZ-KGLIPLIRSA-N 0 0 437.526 -0.962 20 30 IBEDRN C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 ZINC001359300644 1074367144 /nfs/dbraw/zinc/36/71/44/1074367144.db2.gz HGJAQCJSXRSWKZ-UONOGXRCSA-N 0 0 437.526 -0.962 20 30 IBEDRN C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 ZINC001359300645 1074367222 /nfs/dbraw/zinc/36/72/22/1074367222.db2.gz HGJAQCJSXRSWKZ-ZIAGYGMSSA-N 0 0 437.526 -0.962 20 30 IBEDRN C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001359300688 1074367187 /nfs/dbraw/zinc/36/71/87/1074367187.db2.gz IMVDPYWZNRQDTF-CHWSQXEVSA-N 0 0 431.540 -0.894 20 30 IBEDRN C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001359300689 1074367198 /nfs/dbraw/zinc/36/71/98/1074367198.db2.gz IMVDPYWZNRQDTF-OLZOCXBDSA-N 0 0 431.540 -0.894 20 30 IBEDRN C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001359300690 1074367045 /nfs/dbraw/zinc/36/70/45/1074367045.db2.gz IMVDPYWZNRQDTF-QWHCGFSZSA-N 0 0 431.540 -0.894 20 30 IBEDRN C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001359300691 1074367154 /nfs/dbraw/zinc/36/71/54/1074367154.db2.gz IMVDPYWZNRQDTF-STQMWFEESA-N 0 0 431.540 -0.894 20 30 IBEDRN C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)O[C@H](COC)C1 ZINC001359300764 1074367108 /nfs/dbraw/zinc/36/71/08/1074367108.db2.gz JXQYANORFMIXEF-KFWWJZLASA-N 0 0 427.527 -0.278 20 30 IBEDRN C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 ZINC001359300765 1074367085 /nfs/dbraw/zinc/36/70/85/1074367085.db2.gz JXQYANORFMIXEF-RBSFLKMASA-N 0 0 427.527 -0.278 20 30 IBEDRN C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](COC)O[C@@H](C)C1 ZINC001359300766 1074367239 /nfs/dbraw/zinc/36/72/39/1074367239.db2.gz JXQYANORFMIXEF-RRFJBIMHSA-N 0 0 427.527 -0.278 20 30 IBEDRN C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@H](COC)C1 ZINC001359300767 1074367214 /nfs/dbraw/zinc/36/72/14/1074367214.db2.gz JXQYANORFMIXEF-ZNMIVQPWSA-N 0 0 427.527 -0.278 20 30 IBEDRN C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)CS(C)(=O)=O ZINC001359300991 1074367076 /nfs/dbraw/zinc/36/70/76/1074367076.db2.gz OJEDJSUOEXDXHW-CHWSQXEVSA-N 0 0 433.556 -0.648 20 30 IBEDRN C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)CS(C)(=O)=O ZINC001359300992 1074367231 /nfs/dbraw/zinc/36/72/31/1074367231.db2.gz OJEDJSUOEXDXHW-OLZOCXBDSA-N 0 0 433.556 -0.648 20 30 IBEDRN C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)CS(C)(=O)=O ZINC001359300993 1074367176 /nfs/dbraw/zinc/36/71/76/1074367176.db2.gz OJEDJSUOEXDXHW-QWHCGFSZSA-N 0 0 433.556 -0.648 20 30 IBEDRN C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)CS(C)(=O)=O ZINC001359300994 1074367205 /nfs/dbraw/zinc/36/72/05/1074367205.db2.gz OJEDJSUOEXDXHW-STQMWFEESA-N 0 0 433.556 -0.648 20 30 IBEDRN C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 ZINC001359301276 1074367249 /nfs/dbraw/zinc/36/72/49/1074367249.db2.gz VUPOVGSSHPRIIC-KBPBESRZSA-N 0 0 440.526 -0.241 20 30 IBEDRN C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 ZINC001359301277 1074367165 /nfs/dbraw/zinc/36/71/65/1074367165.db2.gz VUPOVGSSHPRIIC-UONOGXRCSA-N 0 0 440.526 -0.241 20 30 IBEDRN C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC001359303170 1074367053 /nfs/dbraw/zinc/36/70/53/1074367053.db2.gz GKQKEDVXKTVTQP-DLBZAZTESA-N 0 0 431.541 -0.140 20 30 IBEDRN C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC001359303171 1074367116 /nfs/dbraw/zinc/36/71/16/1074367116.db2.gz GKQKEDVXKTVTQP-IAGOWNOFSA-N 0 0 431.541 -0.140 20 30 IBEDRN C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC001359303172 1074367093 /nfs/dbraw/zinc/36/70/93/1074367093.db2.gz GKQKEDVXKTVTQP-IRXDYDNUSA-N 0 0 431.541 -0.140 20 30 IBEDRN C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC001359303173 1074367129 /nfs/dbraw/zinc/36/71/29/1074367129.db2.gz GKQKEDVXKTVTQP-SJORKVTESA-N 0 0 431.541 -0.140 20 30 IBEDRN C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)NC2CC2)CC1 ZINC001359304234 1074367517 /nfs/dbraw/zinc/36/75/17/1074367517.db2.gz QZGCKPARDUDSIE-UHFFFAOYSA-N 0 0 444.540 -0.897 20 30 IBEDRN C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC001359304235 1074367521 /nfs/dbraw/zinc/36/75/21/1074367521.db2.gz RAACVNYNPAFHEZ-INIZCTEOSA-N 0 0 445.524 -0.470 20 30 IBEDRN C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC001359304236 1074367531 /nfs/dbraw/zinc/36/75/31/1074367531.db2.gz RAACVNYNPAFHEZ-MRXNPFEDSA-N 0 0 445.524 -0.470 20 30 IBEDRN C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCCN(S(C)(=O)=O)CC1 ZINC001359304284 1074367512 /nfs/dbraw/zinc/36/75/12/1074367512.db2.gz TWATWPIYGSFFPE-UHFFFAOYSA-N 0 0 439.542 -0.826 20 30 IBEDRN C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 ZINC001359304337 1074367632 /nfs/dbraw/zinc/36/76/32/1074367632.db2.gz VTBNYUZVPHTMPO-AWEZNQCLSA-N 0 0 439.542 -0.779 20 30 IBEDRN C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 ZINC001359304338 1074367605 /nfs/dbraw/zinc/36/76/05/1074367605.db2.gz VTBNYUZVPHTMPO-CQSZACIVSA-N 0 0 439.542 -0.779 20 30 IBEDRN C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CC[C@@H](CN2CCOCC2)C1 ZINC001359304477 1074367549 /nfs/dbraw/zinc/36/75/49/1074367549.db2.gz YZWPQBOAEXGLTR-KRWDZBQOSA-N 0 0 431.541 -0.139 20 30 IBEDRN C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CC[C@H](CN2CCOCC2)C1 ZINC001359304478 1074367566 /nfs/dbraw/zinc/36/75/66/1074367566.db2.gz YZWPQBOAEXGLTR-QGZVFWFLSA-N 0 0 431.541 -0.139 20 30 IBEDRN C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2ncccn2)CC1 ZINC001359304500 1074367573 /nfs/dbraw/zinc/36/75/73/1074367573.db2.gz ZIGYMICPKRZXBC-UHFFFAOYSA-N 0 0 425.497 -0.181 20 30 IBEDRN C=CCNC(=O)Cn1c(N2CCN(S(C)(=O)=O)CC2)nnc1[C@@]1(OCC)CCOC1 ZINC001359305501 1074367614 /nfs/dbraw/zinc/36/76/14/1074367614.db2.gz FFYQFWGWHVDAAF-GOSISDBHSA-N 0 0 442.542 -0.686 20 30 IBEDRN C=CCNC(=O)Cn1c(N2CCN(S(C)(=O)=O)CC2)nnc1[C@]1(OCC)CCOC1 ZINC001359305502 1074367624 /nfs/dbraw/zinc/36/76/24/1074367624.db2.gz FFYQFWGWHVDAAF-SFHVURJKSA-N 0 0 442.542 -0.686 20 30 IBEDRN C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)CC(=O)N1CCOCC1 ZINC001359307047 1074367540 /nfs/dbraw/zinc/36/75/40/1074367540.db2.gz ZBFACYFZDXNCHD-YJBOKZPZSA-N 0 0 436.513 -0.401 20 30 IBEDRN C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 ZINC001359321076 1074367925 /nfs/dbraw/zinc/36/79/25/1074367925.db2.gz ZSQWBYWLZRNAQE-GLJUWKHASA-N 0 0 425.511 -0.440 20 30 IBEDRN C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 ZINC001359321077 1074368013 /nfs/dbraw/zinc/36/80/13/1074368013.db2.gz ZSQWBYWLZRNAQE-HBUWYVDXSA-N 0 0 425.511 -0.440 20 30 IBEDRN C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 ZINC001359321078 1074367916 /nfs/dbraw/zinc/36/79/16/1074367916.db2.gz ZSQWBYWLZRNAQE-LBTNJELSSA-N 0 0 425.511 -0.440 20 30 IBEDRN C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 ZINC001359321079 1074368111 /nfs/dbraw/zinc/36/81/11/1074368111.db2.gz ZSQWBYWLZRNAQE-QWQRMKEZSA-N 0 0 425.511 -0.440 20 30 IBEDRN C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2(O)CC2)C1 ZINC001359321738 1074368138 /nfs/dbraw/zinc/36/81/38/1074368138.db2.gz KWERIPNHOXGVLV-CABCVRRESA-N 0 0 427.527 -0.083 20 30 IBEDRN C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2(O)CC2)C1 ZINC001359321739 1074367889 /nfs/dbraw/zinc/36/78/89/1074367889.db2.gz KWERIPNHOXGVLV-GJZGRUSLSA-N 0 0 427.527 -0.083 20 30 IBEDRN C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2(O)CC2)C1 ZINC001359321740 1074367947 /nfs/dbraw/zinc/36/79/47/1074367947.db2.gz KWERIPNHOXGVLV-HUUCEWRRSA-N 0 0 427.527 -0.083 20 30 IBEDRN C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2(O)CC2)C1 ZINC001359321741 1074368050 /nfs/dbraw/zinc/36/80/50/1074368050.db2.gz KWERIPNHOXGVLV-LSDHHAIUSA-N 0 0 427.527 -0.083 20 30 IBEDRN C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCN2CCOC[C@@H]2C1 ZINC001359326898 1074368150 /nfs/dbraw/zinc/36/81/50/1074368150.db2.gz MJNMTEKPFLLCTK-HNNXBMFYSA-N 0 0 426.543 -0.462 20 30 IBEDRN C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCN2CCOC[C@H]2C1 ZINC001359326899 1074368063 /nfs/dbraw/zinc/36/80/63/1074368063.db2.gz MJNMTEKPFLLCTK-OAHLLOKOSA-N 0 0 426.543 -0.462 20 30 IBEDRN C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC001359327320 1074367902 /nfs/dbraw/zinc/36/79/02/1074367902.db2.gz YPIGWDMSRVMZFP-UHFFFAOYSA-N 0 0 438.554 -0.071 20 30 IBEDRN C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001359330752 1074368497 /nfs/dbraw/zinc/36/84/97/1074368497.db2.gz BVTQHIIDUCLRML-CYBMUJFWSA-N 0 0 426.524 -0.041 20 30 IBEDRN C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 ZINC001359330753 1074368472 /nfs/dbraw/zinc/36/84/72/1074368472.db2.gz BVTQHIIDUCLRML-ZDUSSCGKSA-N 0 0 426.524 -0.041 20 30 IBEDRN C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCN(S(C)(=O)=O)CC1 ZINC001359330871 1074368538 /nfs/dbraw/zinc/36/85/38/1074368538.db2.gz FWHZJVOJZNZAEO-UHFFFAOYSA-N 0 0 443.555 -0.639 20 30 IBEDRN C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC(OCC(N)=O)CC1 ZINC001359330948 1074368547 /nfs/dbraw/zinc/36/85/47/1074368547.db2.gz HTRCCDARGANPKR-UHFFFAOYSA-N 0 0 437.526 -0.250 20 30 IBEDRN C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(S(C)(=O)=O)CC1 ZINC001359331476 1074368582 /nfs/dbraw/zinc/36/85/82/1074368582.db2.gz AJWJOGDIJQHIKX-HNNXBMFYSA-N 0 0 447.583 -0.146 20 30 IBEDRN C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(S(C)(=O)=O)CC1 ZINC001359331477 1074368569 /nfs/dbraw/zinc/36/85/69/1074368569.db2.gz AJWJOGDIJQHIKX-OAHLLOKOSA-N 0 0 447.583 -0.146 20 30 IBEDRN C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC001359332327 1074368433 /nfs/dbraw/zinc/36/84/33/1074368433.db2.gz UZZAAHCMRFPVLL-UHFFFAOYSA-N 0 0 436.538 -0.317 20 30 IBEDRN C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cnccn2)CC1 ZINC001359332427 1074368465 /nfs/dbraw/zinc/36/84/65/1074368465.db2.gz XKBOSVFLASRCOT-HNNXBMFYSA-N 0 0 446.537 -0.053 20 30 IBEDRN C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cnccn2)CC1 ZINC001359332428 1074368519 /nfs/dbraw/zinc/36/85/19/1074368519.db2.gz XKBOSVFLASRCOT-OAHLLOKOSA-N 0 0 446.537 -0.053 20 30 IBEDRN C=CCS(=O)(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1CC1 ZINC001359333304 1074368528 /nfs/dbraw/zinc/36/85/28/1074368528.db2.gz UBJVJYLQWCFHMU-AWEZNQCLSA-N 0 0 433.556 -0.190 20 30 IBEDRN C=CCS(=O)(=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1CC1 ZINC001359333305 1074368592 /nfs/dbraw/zinc/36/85/92/1074368592.db2.gz UBJVJYLQWCFHMU-CQSZACIVSA-N 0 0 433.556 -0.190 20 30 IBEDRN C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1C[C@@H](CC(=O)OC)[C@H](O)C1 ZINC001359333373 1074368505 /nfs/dbraw/zinc/36/85/05/1074368505.db2.gz VWAURMKVDKWXKR-RBSFLKMASA-N 0 0 428.511 -0.257 20 30 IBEDRN C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1C[C@@H](CC(=O)OC)[C@H](O)C1 ZINC001359333374 1074368446 /nfs/dbraw/zinc/36/84/46/1074368446.db2.gz VWAURMKVDKWXKR-RRFJBIMHSA-N 0 0 428.511 -0.257 20 30 IBEDRN C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CC[C@](C)(C(=O)NC)C1 ZINC001359334622 1074368455 /nfs/dbraw/zinc/36/84/55/1074368455.db2.gz LWDSUMZFTPKMDI-IBGZPJMESA-N 0 0 438.554 -0.036 20 30 IBEDRN C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CC[C@@](C)(C(=O)NC)C1 ZINC001359334623 1074368421 /nfs/dbraw/zinc/36/84/21/1074368421.db2.gz LWDSUMZFTPKMDI-LJQANCHMSA-N 0 0 438.554 -0.036 20 30 IBEDRN C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)NC)CC1 ZINC001359334724 1074368973 /nfs/dbraw/zinc/36/89/73/1074368973.db2.gz OQODLUOWLZKBNE-UHFFFAOYSA-N 0 0 438.554 -0.036 20 30 IBEDRN C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](C(=O)NC)C1 ZINC001359334770 1074368956 /nfs/dbraw/zinc/36/89/56/1074368956.db2.gz QJZBGDOOXJNCOH-HNNXBMFYSA-N 0 0 438.554 -0.036 20 30 IBEDRN C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](C(=O)NC)C1 ZINC001359334771 1074369003 /nfs/dbraw/zinc/36/90/03/1074369003.db2.gz QJZBGDOOXJNCOH-OAHLLOKOSA-N 0 0 438.554 -0.036 20 30 IBEDRN C=CCS(=O)(=O)CCn1c(N2CC[C@H](C(N)=O)C2)nnc1[C@@]1(OCC)CCOC1 ZINC001359335491 1074368919 /nfs/dbraw/zinc/36/89/19/1074368919.db2.gz MYRAAGAPDPIAGC-KBXCAEBGSA-N 0 0 427.527 -0.157 20 30 IBEDRN C=CCS(=O)(=O)CCn1c(N2CC[C@@H](C(N)=O)C2)nnc1[C@]1(OCC)CCOC1 ZINC001359335492 1074368883 /nfs/dbraw/zinc/36/88/83/1074368883.db2.gz MYRAAGAPDPIAGC-KDOFPFPSSA-N 0 0 427.527 -0.157 20 30 IBEDRN C=CCS(=O)(=O)CCn1c(N2CC[C@H](C(N)=O)C2)nnc1[C@]1(OCC)CCOC1 ZINC001359335493 1074368926 /nfs/dbraw/zinc/36/89/26/1074368926.db2.gz MYRAAGAPDPIAGC-KSSFIOAISA-N 0 0 427.527 -0.157 20 30 IBEDRN C=CCS(=O)(=O)CCn1c(N2CC[C@@H](C(N)=O)C2)nnc1[C@@]1(OCC)CCOC1 ZINC001359335494 1074368908 /nfs/dbraw/zinc/36/89/08/1074368908.db2.gz MYRAAGAPDPIAGC-RDTXWAMCSA-N 0 0 427.527 -0.157 20 30 IBEDRN C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C(=O)NC)C1 ZINC001359337174 1074368846 /nfs/dbraw/zinc/36/88/46/1074368846.db2.gz LAYVJMAGGYDZQD-CHWSQXEVSA-N 0 0 432.572 -0.241 20 30 IBEDRN C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C(=O)NC)C1 ZINC001359337175 1074368896 /nfs/dbraw/zinc/36/88/96/1074368896.db2.gz LAYVJMAGGYDZQD-OLZOCXBDSA-N 0 0 432.572 -0.241 20 30 IBEDRN C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C(=O)NC)C1 ZINC001359337176 1074368839 /nfs/dbraw/zinc/36/88/39/1074368839.db2.gz LAYVJMAGGYDZQD-QWHCGFSZSA-N 0 0 432.572 -0.241 20 30 IBEDRN C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C(=O)NC)C1 ZINC001359337177 1074368876 /nfs/dbraw/zinc/36/88/76/1074368876.db2.gz LAYVJMAGGYDZQD-STQMWFEESA-N 0 0 432.572 -0.241 20 30 IBEDRN CC(=O)N1CCN(c2nnc([C@H]3CCOC3)n2CCNC(=O)C2N=CC=CC2=O)CC1 ZINC001359390888 1074371394 /nfs/dbraw/zinc/37/13/94/1074371394.db2.gz MDZBEUDIIUQBKD-DXQAYGFFSA-N 0 0 429.481 -0.023 20 30 IBEDRN CC(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2CCNC(=O)C2N=CC=CC2=O)CC1 ZINC001359390889 1074371382 /nfs/dbraw/zinc/37/13/82/1074371382.db2.gz MDZBEUDIIUQBKD-KIJUOZEOSA-N 0 0 429.481 -0.023 20 30 IBEDRN CC(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2CCNC(=O)C2N=CC=CC2=O)CC1 ZINC001359390890 1074371448 /nfs/dbraw/zinc/37/14/48/1074371448.db2.gz MDZBEUDIIUQBKD-QFPXGYFVSA-N 0 0 429.481 -0.023 20 30 IBEDRN CC(=O)N1CCN(c2nnc([C@H]3CCOC3)n2CCNC(=O)C2N=CC=CC2=O)CC1 ZINC001359390891 1074371372 /nfs/dbraw/zinc/37/13/72/1074371372.db2.gz MDZBEUDIIUQBKD-UHHPSXQGSA-N 0 0 429.481 -0.023 20 30 IBEDRN CC(=O)NCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 ZINC001359454541 1074377340 /nfs/dbraw/zinc/37/73/40/1074377340.db2.gz PWADLIJWFGDMHF-BBRMVZONSA-N 0 0 438.558 -0.409 20 30 IBEDRN CC(=O)NCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 ZINC001359454542 1074377375 /nfs/dbraw/zinc/37/73/75/1074377375.db2.gz PWADLIJWFGDMHF-CJNGLKHVSA-N 0 0 438.558 -0.409 20 30 IBEDRN CC(=O)NCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 ZINC001359454543 1074377357 /nfs/dbraw/zinc/37/73/57/1074377357.db2.gz PWADLIJWFGDMHF-CZUORRHYSA-N 0 0 438.558 -0.409 20 30 IBEDRN CC(=O)NCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 ZINC001359454544 1074377308 /nfs/dbraw/zinc/37/73/08/1074377308.db2.gz PWADLIJWFGDMHF-XJKSGUPXSA-N 0 0 438.558 -0.409 20 30 IBEDRN C[C@@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCS(C)(=O)=O ZINC001359473958 1074378099 /nfs/dbraw/zinc/37/80/99/1074378099.db2.gz LGYTVPJJTCODJZ-KBPBESRZSA-N 0 0 448.571 -0.358 20 30 IBEDRN C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCS(C)(=O)=O ZINC001359473959 1074378030 /nfs/dbraw/zinc/37/80/30/1074378030.db2.gz LGYTVPJJTCODJZ-KGLIPLIRSA-N 0 0 448.571 -0.358 20 30 IBEDRN C[C@@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCS(C)(=O)=O ZINC001359473960 1074378047 /nfs/dbraw/zinc/37/80/47/1074378047.db2.gz LGYTVPJJTCODJZ-UONOGXRCSA-N 0 0 448.571 -0.358 20 30 IBEDRN C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCS(C)(=O)=O ZINC001359473961 1074378054 /nfs/dbraw/zinc/37/80/54/1074378054.db2.gz LGYTVPJJTCODJZ-ZIAGYGMSSA-N 0 0 448.571 -0.358 20 30 IBEDRN CC(C)(O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1 ZINC001359601526 1074378953 /nfs/dbraw/zinc/37/89/53/1074378953.db2.gz ZMWKZLYMJYSWFD-KBPBESRZSA-N 0 0 428.515 -0.499 20 30 IBEDRN CC(C)(O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1 ZINC001359601527 1074379254 /nfs/dbraw/zinc/37/92/54/1074379254.db2.gz ZMWKZLYMJYSWFD-KGLIPLIRSA-N 0 0 428.515 -0.499 20 30 IBEDRN CC(C)(O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1 ZINC001359601528 1074379328 /nfs/dbraw/zinc/37/93/28/1074379328.db2.gz ZMWKZLYMJYSWFD-UONOGXRCSA-N 0 0 428.515 -0.499 20 30 IBEDRN CC(C)(O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1 ZINC001359601529 1074379335 /nfs/dbraw/zinc/37/93/35/1074379335.db2.gz ZMWKZLYMJYSWFD-ZIAGYGMSSA-N 0 0 428.515 -0.499 20 30 IBEDRN CC(C)NC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 ZINC001360292000 1074388668 /nfs/dbraw/zinc/38/86/68/1074388668.db2.gz HUGDSROLCMCJMA-HNNXBMFYSA-N 0 0 439.542 -0.124 20 30 IBEDRN CC(C)NC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 ZINC001360292001 1074388775 /nfs/dbraw/zinc/38/87/75/1074388775.db2.gz HUGDSROLCMCJMA-OAHLLOKOSA-N 0 0 439.542 -0.124 20 30 IBEDRN CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCS(=O)(=O)N(C)C)CCOC1 ZINC001360348559 1074389882 /nfs/dbraw/zinc/38/98/82/1074389882.db2.gz YIJDKXKSSNNCMD-CRAIPNDOSA-N 0 0 442.542 -0.061 20 30 IBEDRN CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCS(=O)(=O)N(C)C)CCOC1 ZINC001360348560 1074389843 /nfs/dbraw/zinc/38/98/43/1074389843.db2.gz YIJDKXKSSNNCMD-MAUKXSAKSA-N 0 0 442.542 -0.061 20 30 IBEDRN CC(C)O[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCS(=O)(=O)N(C)C)CCOC1 ZINC001360348561 1074389948 /nfs/dbraw/zinc/38/99/48/1074389948.db2.gz YIJDKXKSSNNCMD-QAPCUYQASA-N 0 0 442.542 -0.061 20 30 IBEDRN CC(C)O[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCS(=O)(=O)N(C)C)CCOC1 ZINC001360348562 1074389926 /nfs/dbraw/zinc/38/99/26/1074389926.db2.gz YIJDKXKSSNNCMD-YJBOKZPZSA-N 0 0 442.542 -0.061 20 30 IBEDRN CC(C)OCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1 ZINC001360404212 1074390562 /nfs/dbraw/zinc/39/05/62/1074390562.db2.gz SLQYEXMCSYZISC-CABCVRRESA-N 0 0 428.515 -0.235 20 30 IBEDRN CC(C)OCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1 ZINC001360404213 1074390745 /nfs/dbraw/zinc/39/07/45/1074390745.db2.gz SLQYEXMCSYZISC-GJZGRUSLSA-N 0 0 428.515 -0.235 20 30 IBEDRN CC(C)OCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1 ZINC001360404214 1074390734 /nfs/dbraw/zinc/39/07/34/1074390734.db2.gz SLQYEXMCSYZISC-HUUCEWRRSA-N 0 0 428.515 -0.235 20 30 IBEDRN CC(C)OCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1 ZINC001360404215 1074390593 /nfs/dbraw/zinc/39/05/93/1074390593.db2.gz SLQYEXMCSYZISC-LSDHHAIUSA-N 0 0 428.515 -0.235 20 30 IBEDRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1Cc1ccn(C)n1 ZINC001360707557 1074398309 /nfs/dbraw/zinc/39/83/09/1074398309.db2.gz GKCIDTIKUILDTB-BBRMVZONSA-N 0 0 433.542 -0.153 20 30 IBEDRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1Cc1ccn(C)n1 ZINC001360707558 1074398499 /nfs/dbraw/zinc/39/84/99/1074398499.db2.gz GKCIDTIKUILDTB-CJNGLKHVSA-N 0 0 433.542 -0.153 20 30 IBEDRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1Cc1ccn(C)n1 ZINC001360707559 1074398475 /nfs/dbraw/zinc/39/84/75/1074398475.db2.gz GKCIDTIKUILDTB-CZUORRHYSA-N 0 0 433.542 -0.153 20 30 IBEDRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1Cc1ccn(C)n1 ZINC001360707560 1074398323 /nfs/dbraw/zinc/39/83/23/1074398323.db2.gz GKCIDTIKUILDTB-XJKSGUPXSA-N 0 0 433.542 -0.153 20 30 IBEDRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@H]1COCCO1 ZINC001360708439 1074398391 /nfs/dbraw/zinc/39/83/91/1074398391.db2.gz WLHKFMGNVFDFIK-BPUTZDHNSA-N 0 0 439.542 -0.520 20 30 IBEDRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@@H]1COCCO1 ZINC001360708440 1074398448 /nfs/dbraw/zinc/39/84/48/1074398448.db2.gz WLHKFMGNVFDFIK-CWRNSKLLSA-N 0 0 439.542 -0.520 20 30 IBEDRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@H]1COCCO1 ZINC001360708441 1074398875 /nfs/dbraw/zinc/39/88/75/1074398875.db2.gz WLHKFMGNVFDFIK-IMJJTQAJSA-N 0 0 439.542 -0.520 20 30 IBEDRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@@H]1COCCO1 ZINC001360708442 1074398720 /nfs/dbraw/zinc/39/87/20/1074398720.db2.gz WLHKFMGNVFDFIK-NUEKZKHPSA-N 0 0 439.542 -0.520 20 30 IBEDRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCO[C@H]1CCOC1 ZINC001360714230 1074401257 /nfs/dbraw/zinc/40/12/57/1074401257.db2.gz OEUCSPDOULQKSI-KKUMJFAQSA-N 0 0 428.515 -0.187 20 30 IBEDRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCCO[C@@H]1CCOC1 ZINC001360714231 1074401310 /nfs/dbraw/zinc/40/13/10/1074401310.db2.gz OEUCSPDOULQKSI-RRFJBIMHSA-N 0 0 428.515 -0.187 20 30 IBEDRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCCO[C@H]1CCOC1 ZINC001360714332 1074401245 /nfs/dbraw/zinc/40/12/45/1074401245.db2.gz OEUCSPDOULQKSI-SOUVJXGZSA-N 0 0 428.515 -0.187 20 30 IBEDRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCO[C@@H]1CCOC1 ZINC001360714333 1074401239 /nfs/dbraw/zinc/40/12/39/1074401239.db2.gz OEUCSPDOULQKSI-ZNMIVQPWSA-N 0 0 428.515 -0.187 20 30 IBEDRN CC1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@@H](C#N)C2)COC1 ZINC001360842289 1074404012 /nfs/dbraw/zinc/40/40/12/1074404012.db2.gz SSNMZCNNPDLBJS-KBPBESRZSA-N 0 0 426.499 -0.624 20 30 IBEDRN CC1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@H](C#N)C2)COC1 ZINC001360842292 1074404022 /nfs/dbraw/zinc/40/40/22/1074404022.db2.gz SSNMZCNNPDLBJS-KGLIPLIRSA-N 0 0 426.499 -0.624 20 30 IBEDRN CC1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@@H](C#N)C2)COC1 ZINC001360842294 1074404044 /nfs/dbraw/zinc/40/40/44/1074404044.db2.gz SSNMZCNNPDLBJS-UONOGXRCSA-N 0 0 426.499 -0.624 20 30 IBEDRN CC1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@H](C#N)C2)COC1 ZINC001360842296 1074404061 /nfs/dbraw/zinc/40/40/61/1074404061.db2.gz SSNMZCNNPDLBJS-ZIAGYGMSSA-N 0 0 426.499 -0.624 20 30 IBEDRN CS(=O)(=O)CC1(NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)COC1 ZINC001437534018 1074415896 /nfs/dbraw/zinc/41/58/96/1074415896.db2.gz YMEUKKFPLQOWAI-UHFFFAOYSA-N 0 0 441.531 -0.111 20 30 IBEDRN C[C@H](C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)N1CCN(C(=O)OC(C)(C)C)CC1=O ZINC001439796651 1074420195 /nfs/dbraw/zinc/42/01/95/1074420195.db2.gz NMMIFNVAIFGXJO-BIENJYKASA-N 0 0 440.522 -0.149 20 30 IBEDRN C[C@@H](C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)N1CCN(C(=O)OC(C)(C)C)CC1=O ZINC001439796652 1074420089 /nfs/dbraw/zinc/42/00/89/1074420089.db2.gz NMMIFNVAIFGXJO-CKFHNAJUSA-N 0 0 440.522 -0.149 20 30 IBEDRN N#C[C@]12CN(C(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)C[C@H]1CS(=O)(=O)C2 ZINC001439796866 1074420114 /nfs/dbraw/zinc/42/01/14/1074420114.db2.gz PCZJHEABMPLISQ-MAUKXSAKSA-N 0 0 439.515 -0.282 20 30 IBEDRN CO[C@@]1(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCS(=O)(=O)C1 ZINC001441009989 1074423966 /nfs/dbraw/zinc/42/39/66/1074423966.db2.gz KRLSTZBAYLOZPW-KRWDZBQOSA-N 0 0 427.504 -0.405 20 30 IBEDRN CO[C@]1(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCS(=O)(=O)C1 ZINC001441010005 1074423949 /nfs/dbraw/zinc/42/39/49/1074423949.db2.gz KRLSTZBAYLOZPW-QGZVFWFLSA-N 0 0 427.504 -0.405 20 30 IBEDRN COC(=O)[C@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1=O ZINC001441014473 1074423989 /nfs/dbraw/zinc/42/39/89/1074423989.db2.gz VNMCBRZTRJQEOV-KRWDZBQOSA-N 0 0 448.501 -0.197 20 30 IBEDRN COC(=O)[C@@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1=O ZINC001441014479 1074424002 /nfs/dbraw/zinc/42/40/02/1074424002.db2.gz VNMCBRZTRJQEOV-QGZVFWFLSA-N 0 0 448.501 -0.197 20 30 IBEDRN CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCN(C(=O)Cn3cnnn3)CC2)CC1 ZINC001443262628 1074432368 /nfs/dbraw/zinc/43/23/68/1074432368.db2.gz CMFHMSLAAFPEER-UHFFFAOYSA-N 0 0 431.497 -0.006 20 30 IBEDRN C#CCNC(=O)CN1CCCN(C(=O)CNc2ccc(S(N)(=O)=O)cc2F)CC1 ZINC001443353608 1074433002 /nfs/dbraw/zinc/43/30/02/1074433002.db2.gz GFPXNOYKXLJYDI-UHFFFAOYSA-N 0 0 425.486 -0.831 20 30 IBEDRN C#CCNC(=O)CN1CCCN(C(=O)c2ccc(S(=O)(=O)N[C@@H](C)CO)cc2)CC1 ZINC001443358177 1074432734 /nfs/dbraw/zinc/43/27/34/1074432734.db2.gz NALUJNOLQKREAK-INIZCTEOSA-N 0 0 436.534 -0.757 20 30 IBEDRN C#CCNC(=O)CN1CCCN(C(=O)c2ccc(S(=O)(=O)N[C@H](C)CO)cc2)CC1 ZINC001443358184 1074432988 /nfs/dbraw/zinc/43/29/88/1074432988.db2.gz NALUJNOLQKREAK-MRXNPFEDSA-N 0 0 436.534 -0.757 20 30 IBEDRN C#CCNC(=O)CN1CCCN(C(=O)c2cn(C3CN(C(=O)OC(C)(C)C)C3)nn2)CC1 ZINC001443360032 1074432840 /nfs/dbraw/zinc/43/28/40/1074432840.db2.gz SOIFKLPOAMLKCN-UHFFFAOYSA-N 0 0 445.524 -0.033 20 30 IBEDRN O=C(/C=C\c1ccc(F)cc1)C(=O)N1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001444642309 1074438851 /nfs/dbraw/zinc/43/88/51/1074438851.db2.gz QZBFLEHWYQZVTJ-GPCFVJJQSA-N 0 0 437.493 -0.145 20 30 IBEDRN O=C(/C=C\c1ccc(F)cc1)C(=O)N1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC001444642311 1074439011 /nfs/dbraw/zinc/43/90/11/1074439011.db2.gz QZBFLEHWYQZVTJ-SVEBXFOSSA-N 0 0 437.493 -0.145 20 30 IBEDRN O=C(/C=C/c1ccc(F)cc1)C(=O)N1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001444642314 1074438893 /nfs/dbraw/zinc/43/88/93/1074438893.db2.gz QZBFLEHWYQZVTJ-ZNNBYXKUSA-N 0 0 437.493 -0.145 20 30 IBEDRN O=C(/C=C/c1ccc(F)cc1)C(=O)N1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC001444642319 1074438967 /nfs/dbraw/zinc/43/89/67/1074438967.db2.gz QZBFLEHWYQZVTJ-ZVVFDCPKSA-N 0 0 437.493 -0.145 20 30 IBEDRN C=CCOC[C@H](NC(=O)c1ccc2c(c1)S(=O)(=O)N(CCOC)C2=O)C(=O)OC ZINC001448494071 1074448158 /nfs/dbraw/zinc/44/81/58/1074448158.db2.gz JDZHWMUTQXTWDP-AWEZNQCLSA-N 0 0 426.447 -0.049 20 30 IBEDRN C=CCOC[C@@H](NC(=O)c1ccc2c(c1)S(=O)(=O)N(CCOC)C2=O)C(=O)OC ZINC001448494461 1074448150 /nfs/dbraw/zinc/44/81/50/1074448150.db2.gz JDZHWMUTQXTWDP-CQSZACIVSA-N 0 0 426.447 -0.049 20 30 IBEDRN C=CCN1CC[C@H](N(C)C(=O)CNS(=O)(=O)c2cccc(S(C)(=O)=O)c2)C1=O ZINC001448511741 1074448064 /nfs/dbraw/zinc/44/80/64/1074448064.db2.gz BNMOOJZRCLJVKJ-HNNXBMFYSA-N 0 0 429.520 -0.386 20 30 IBEDRN C=CCN1CC[C@@H](N(C)C(=O)CNS(=O)(=O)c2cccc(S(C)(=O)=O)c2)C1=O ZINC001448511748 1074448227 /nfs/dbraw/zinc/44/82/27/1074448227.db2.gz BNMOOJZRCLJVKJ-OAHLLOKOSA-N 0 0 429.520 -0.386 20 30 IBEDRN C#CCNC(=O)CN1CCN(C(=O)[C@H](Cc2c[nH]cn2)NC(=O)C2CCCCC2)CC1 ZINC001449059241 1074449333 /nfs/dbraw/zinc/44/93/33/1074449333.db2.gz IOISGGXAOCKDBG-IBGZPJMESA-N 0 0 428.537 -0.089 20 30 IBEDRN CNS(=O)(=O)N1CCN(C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC001449411949 1074451177 /nfs/dbraw/zinc/45/11/77/1074451177.db2.gz IWZBIUULQGBVPV-GFCCVEGCSA-N 0 0 429.524 -0.888 20 30 IBEDRN CNS(=O)(=O)N1CCN(C(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC001449411992 1074451145 /nfs/dbraw/zinc/45/11/45/1074451145.db2.gz IWZBIUULQGBVPV-LBPRGKRZSA-N 0 0 429.524 -0.888 20 30 IBEDRN C#CC[C@@H](CO)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC001450526363 1074454842 /nfs/dbraw/zinc/45/48/42/1074454842.db2.gz NFAZURIGYWUGPU-INIZCTEOSA-N 0 0 425.482 -0.061 20 30 IBEDRN C#CC[C@H](CO)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC001450526365 1074454960 /nfs/dbraw/zinc/45/49/60/1074454960.db2.gz NFAZURIGYWUGPU-MRXNPFEDSA-N 0 0 425.482 -0.061 20 30 IBEDRN C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(S(=O)(=O)NC(C)C)CC2)c1 ZINC001451219279 1074458299 /nfs/dbraw/zinc/45/82/99/1074458299.db2.gz GWNMBDZUPATNGS-UHFFFAOYSA-N 0 0 428.536 -0.401 20 30 IBEDRN CCOC(=O)CON=C(C(=O)N1CCC(N2CCCS2(=O)=O)CC1)c1ccn[nH]1 ZINC001451378945 1074459010 /nfs/dbraw/zinc/45/90/10/1074459010.db2.gz GMYFDMMUNHLIHM-UHFFFAOYSA-N 0 0 427.483 -0.280 20 30 IBEDRN O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCC(NC(=O)N2CCOCC2)CC1 ZINC001451971941 1074461494 /nfs/dbraw/zinc/46/14/94/1074461494.db2.gz NDBXWIKVSNPMEL-UHFFFAOYSA-N 0 0 435.506 -0.242 20 30 IBEDRN C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC001452261152 1074462681 /nfs/dbraw/zinc/46/26/81/1074462681.db2.gz SJASGXHOKYPAJS-CXAGYDPISA-N 0 0 427.504 -0.359 20 30 IBEDRN C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC001452261154 1074462654 /nfs/dbraw/zinc/46/26/54/1074462654.db2.gz SJASGXHOKYPAJS-DYVFJYSZSA-N 0 0 427.504 -0.359 20 30 IBEDRN C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC001452261158 1074462730 /nfs/dbraw/zinc/46/27/30/1074462730.db2.gz SJASGXHOKYPAJS-GUYCJALGSA-N 0 0 427.504 -0.359 20 30 IBEDRN C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC001452261162 1074462702 /nfs/dbraw/zinc/46/27/02/1074462702.db2.gz SJASGXHOKYPAJS-SUMWQHHRSA-N 0 0 427.504 -0.359 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(S(=O)(=O)NCc3ccccc3)CC2)C1=O ZINC001452932478 1074464814 /nfs/dbraw/zinc/46/48/14/1074464814.db2.gz DRBLPOXYHSXGCA-UHFFFAOYSA-N 0 0 449.489 -0.858 20 30 IBEDRN CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)C[C@H]21 ZINC001453567721 1074467927 /nfs/dbraw/zinc/46/79/27/1074467927.db2.gz HOYIWEZVKKZOBA-LZWOXQAQSA-N 0 0 441.531 -0.224 20 30 IBEDRN CC(C)(C)OC(=O)N1CCN(C(=O)N2CCN(C(=O)Cn3cnc(C#N)n3)CC2)CC1 ZINC001453690746 1074470077 /nfs/dbraw/zinc/47/00/77/1074470077.db2.gz VKGMYKZJTYWEFM-UHFFFAOYSA-N 0 0 432.485 -0.033 20 30 IBEDRN N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N(CCO)CCOCCO)CC2)cc1 ZINC001454215917 1074472088 /nfs/dbraw/zinc/47/20/88/1074472088.db2.gz BOVCNAZUWYWCRF-UHFFFAOYSA-N 0 0 425.507 -0.211 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2CCNC(=O)CC23CN(C(=O)OC(C)(C)C)C3)C1=O ZINC001454279425 1074472657 /nfs/dbraw/zinc/47/26/57/1074472657.db2.gz ORFKEAOTCYWNSB-UHFFFAOYSA-N 0 0 449.464 -0.699 20 30 IBEDRN CN(CC(=O)N1CCN(C)CC1)C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O ZINC001454294884 1074472992 /nfs/dbraw/zinc/47/29/92/1074472992.db2.gz SFEXVOKEBZOSES-KRWDZBQOSA-N 0 0 426.477 -0.004 20 30 IBEDRN CN(CC(=O)N1CCN(C)CC1)C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O ZINC001454294889 1074472974 /nfs/dbraw/zinc/47/29/74/1074472974.db2.gz SFEXVOKEBZOSES-QGZVFWFLSA-N 0 0 426.477 -0.004 20 30 IBEDRN C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(C[C@H]3CCCS3(=O)=O)CC2)cc1 ZINC001454452068 1074474785 /nfs/dbraw/zinc/47/47/85/1074474785.db2.gz YLTCWDPNXOQFGS-GOSISDBHSA-N 0 0 439.559 -0.067 20 30 IBEDRN C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(C[C@@H]3CCCS3(=O)=O)CC2)cc1 ZINC001454452070 1074474797 /nfs/dbraw/zinc/47/47/97/1074474797.db2.gz YLTCWDPNXOQFGS-SFHVURJKSA-N 0 0 439.559 -0.067 20 30 IBEDRN CC(=O)NCC(=O)N1CCCN(C(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC001454607877 1074476389 /nfs/dbraw/zinc/47/63/89/1074476389.db2.gz JAXISNSQCRUCHN-AWEZNQCLSA-N 0 0 449.533 -0.299 20 30 IBEDRN CC(=O)NCC(=O)N1CCCN(C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC001454607881 1074476236 /nfs/dbraw/zinc/47/62/36/1074476236.db2.gz JAXISNSQCRUCHN-CQSZACIVSA-N 0 0 449.533 -0.299 20 30 IBEDRN COC(=O)[C@@H](CC1OCCO1)NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 ZINC001455067600 1074479852 /nfs/dbraw/zinc/47/98/52/1074479852.db2.gz WKNJBXWTEYPQEA-CYBMUJFWSA-N 0 0 425.463 -0.074 20 30 IBEDRN COC(=O)[C@H](CC1OCCO1)NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 ZINC001455067606 1074479954 /nfs/dbraw/zinc/47/99/54/1074479954.db2.gz WKNJBXWTEYPQEA-ZDUSSCGKSA-N 0 0 425.463 -0.074 20 30 IBEDRN NS(=O)(=O)c1cccc2c1CCN(C(=O)C/N=C1/NS(=O)(=O)c3ccccc31)C2 ZINC001455101231 1074480424 /nfs/dbraw/zinc/48/04/24/1074480424.db2.gz LASPBEDTQGOARA-UHFFFAOYSA-N 0 0 434.499 -0.043 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)[C@]2(CNC(=O)OC(C)(C)C)CCCOC2)CC1 ZINC001455114351 1074480453 /nfs/dbraw/zinc/48/04/53/1074480453.db2.gz CRKCEFPAHSZIIR-IBGZPJMESA-N 0 0 444.554 -0.080 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)[C@@]2(CNC(=O)OC(C)(C)C)CCCOC2)CC1 ZINC001455114356 1074480553 /nfs/dbraw/zinc/48/05/53/1074480553.db2.gz CRKCEFPAHSZIIR-LJQANCHMSA-N 0 0 444.554 -0.080 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(OC)c(S(=O)(=O)N(C)C)c2)CC1 ZINC001455114559 1074481044 /nfs/dbraw/zinc/48/10/44/1074481044.db2.gz DNUFFXRRHZJNLZ-UHFFFAOYSA-N 0 0 444.535 -0.829 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 ZINC001455114575 1074480897 /nfs/dbraw/zinc/48/08/97/1074480897.db2.gz FBUSNJAKWLYDHI-UHFFFAOYSA-N 0 0 439.519 -0.896 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)CCC(=O)N2CC(=O)Nc3ccccc32)CC1 ZINC001455114586 1074481019 /nfs/dbraw/zinc/48/10/19/1074481019.db2.gz FLPSLHLCKHCSAC-UHFFFAOYSA-N 0 0 433.490 -0.636 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)C2CCN(C(=O)COc3ccccc3)CC2)CC1 ZINC001455114598 1074481015 /nfs/dbraw/zinc/48/10/15/1074481015.db2.gz FYXCXNYPXSSEDQ-UHFFFAOYSA-N 0 0 448.545 -0.084 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)c2cccn(CC(=O)OC(C)(C)C)c2=O)CC1 ZINC001455114641 1074480948 /nfs/dbraw/zinc/48/09/48/1074480948.db2.gz GVLRUASPHKYRIB-UHFFFAOYSA-N 0 0 438.506 -0.585 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)c2cc3c(c(S(N)(=O)=O)c2)CCC3)CC1 ZINC001455114700 1074480908 /nfs/dbraw/zinc/48/09/08/1074480908.db2.gz HXGABIDSCYSSSH-UHFFFAOYSA-N 0 0 426.520 -0.952 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)CN2c3cccc4cccc(c34)S2(=O)=O)CC1 ZINC001455114986 1074480969 /nfs/dbraw/zinc/48/09/69/1074480969.db2.gz JQFYSLGJOSVWJH-UHFFFAOYSA-N 0 0 448.526 -0.040 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)CC1 ZINC001455115113 1074481000 /nfs/dbraw/zinc/48/10/00/1074481000.db2.gz MCVPRFPCGPTASG-UHFFFAOYSA-N 0 0 426.520 -0.647 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)CCNS(=O)(=O)c2cccc(Cl)c2)CC1 ZINC001455115124 1074480928 /nfs/dbraw/zinc/48/09/28/1074480928.db2.gz MIFRKJFJXRWKHB-UHFFFAOYSA-N 0 0 448.954 -0.380 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)CCc2c(C)nc(-c3ccncc3)[nH]c2=O)CC1 ZINC001455115301 1074480993 /nfs/dbraw/zinc/48/09/93/1074480993.db2.gz NRJAPCFYXLFHKZ-UHFFFAOYSA-N 0 0 444.517 -0.315 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(Br)cn3ncnc23)CC1 ZINC001455115328 1074481009 /nfs/dbraw/zinc/48/10/09/1074481009.db2.gz OEVPURLMVGSICS-UHFFFAOYSA-N 0 0 427.284 -0.283 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)c2cnc3cc(OC)cc(OC)c3c2O)CC1 ZINC001455115397 1074480934 /nfs/dbraw/zinc/48/09/34/1074480934.db2.gz ORPWDNADLYCMDE-UHFFFAOYSA-N 0 0 434.474 -0.229 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccccc2F)CC1 ZINC001455115671 1074480977 /nfs/dbraw/zinc/48/09/77/1074480977.db2.gz QOQXKYVTLRNUOW-ZDUSSCGKSA-N 0 0 432.499 -0.896 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(N3CCCS3(=O)=O)cc2)CC1 ZINC001455115799 1074481050 /nfs/dbraw/zinc/48/10/50/1074481050.db2.gz ROBLQMRYHSSUPK-UHFFFAOYSA-N 0 0 426.520 -0.548 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(F)c(S(=O)(=O)N(C)C)c2)CC1 ZINC001455115818 1074481567 /nfs/dbraw/zinc/48/15/67/1074481567.db2.gz SFTFSTOBWLJKMS-UHFFFAOYSA-N 0 0 432.499 -0.699 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)CN2CCc3cc(OC)c(OC)cc3C2)CC1 ZINC001455115863 1074481618 /nfs/dbraw/zinc/48/16/18/1074481618.db2.gz SXYSLOQUFQXHLD-UHFFFAOYSA-N 0 0 436.534 -0.326 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)N(C)OC)cc2)CC1 ZINC001455115933 1074481611 /nfs/dbraw/zinc/48/16/11/1074481611.db2.gz VDHGSUGSKOEYNF-UHFFFAOYSA-N 0 0 430.508 -0.906 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)CCNS(=O)(=O)c2ccc(C)cc2)CC1 ZINC001455116041 1074481510 /nfs/dbraw/zinc/48/15/10/1074481510.db2.gz VSTSAVZNIROOBI-UHFFFAOYSA-N 0 0 428.536 -0.725 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)Cc2ccc(S(=O)(=O)N(C)C)cc2)CC1 ZINC001455116280 1074481520 /nfs/dbraw/zinc/48/15/20/1074481520.db2.gz WWYQTJHKQBPDTB-UHFFFAOYSA-N 0 0 428.536 -0.909 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)Cc2csc([C@@H]3CCS(=O)(=O)C3)n2)CC1 ZINC001455116281 1074481543 /nfs/dbraw/zinc/48/15/43/1074481543.db2.gz WYRUCUZICVWOKX-CYBMUJFWSA-N 0 0 446.576 -0.801 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)Cc2csc([C@H]3CCS(=O)(=O)C3)n2)CC1 ZINC001455116282 1074481515 /nfs/dbraw/zinc/48/15/15/1074481515.db2.gz WYRUCUZICVWOKX-ZDUSSCGKSA-N 0 0 446.576 -0.801 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CN(C(=O)OC(C)(C)C)CCN2C)CC1 ZINC001455116363 1074481528 /nfs/dbraw/zinc/48/15/28/1074481528.db2.gz YCVCOWKKWFKAGX-HNNXBMFYSA-N 0 0 429.543 -0.851 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2CN(C(=O)OC(C)(C)C)CCN2C)CC1 ZINC001455116366 1074481609 /nfs/dbraw/zinc/48/16/09/1074481609.db2.gz YCVCOWKKWFKAGX-OAHLLOKOSA-N 0 0 429.543 -0.851 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(F)c(F)c3)C2)CC1 ZINC001455116409 1074481610 /nfs/dbraw/zinc/48/16/10/1074481610.db2.gz YQUBEIIFSUTYEY-CYBMUJFWSA-N 0 0 426.445 -0.071 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(F)c(F)c3)C2)CC1 ZINC001455116413 1074481607 /nfs/dbraw/zinc/48/16/07/1074481607.db2.gz YQUBEIIFSUTYEY-ZDUSSCGKSA-N 0 0 426.445 -0.071 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)CCNS(=O)(=O)c2cc(C)ccc2C)CC1 ZINC001455116623 1074481599 /nfs/dbraw/zinc/48/15/99/1074481599.db2.gz ZQBRMBVCXALJNK-UHFFFAOYSA-N 0 0 442.563 -0.416 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)CNS(=O)(=O)c2ccc(C)c(C)c2)CC1 ZINC001455120014 1074481612 /nfs/dbraw/zinc/48/16/12/1074481612.db2.gz VCJUPDJEJNMKPS-UHFFFAOYSA-N 0 0 428.536 -0.806 20 30 IBEDRN CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC(O)(c2cnnn2C)C1 ZINC001455149446 1074481930 /nfs/dbraw/zinc/48/19/30/1074481930.db2.gz ONWXNZLJRCZBTK-AWEZNQCLSA-N 0 0 432.506 -0.002 20 30 IBEDRN CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC(O)(c2cnnn2C)C1 ZINC001455149449 1074482096 /nfs/dbraw/zinc/48/20/96/1074482096.db2.gz ONWXNZLJRCZBTK-CQSZACIVSA-N 0 0 432.506 -0.002 20 30 IBEDRN C[C@H](CC(=O)NCc1nnc2n1CCN(C)C2=O)/N=C1/NS(=O)(=O)c2ccccc21 ZINC001455378469 1074484324 /nfs/dbraw/zinc/48/43/24/1074484324.db2.gz CJPIUMQWTBIPMG-LLVKDONJSA-N 0 0 431.478 -0.503 20 30 IBEDRN C[C@@H](CC(=O)NCc1nnc2n1CCN(C)C2=O)/N=C1/NS(=O)(=O)c2ccccc21 ZINC001455378509 1074484304 /nfs/dbraw/zinc/48/43/04/1074484304.db2.gz CJPIUMQWTBIPMG-NSHDSACASA-N 0 0 431.478 -0.503 20 30 IBEDRN C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@]2(C(=O)OC)C[C@@H]2S(C)(=O)=O)c1 ZINC001455382134 1074484733 /nfs/dbraw/zinc/48/47/33/1074484733.db2.gz XSZGYUMRJOVPKT-WMLDXEAASA-N 0 0 428.488 -0.696 20 30 IBEDRN C[C@H](CC(=O)N(C)Cc1nnc2n1CCN(C)C2=O)/N=C1/NS(=O)(=O)c2ccccc21 ZINC001455754298 1074487727 /nfs/dbraw/zinc/48/77/27/1074487727.db2.gz OEFLUDHZLZOWSL-GFCCVEGCSA-N 0 0 445.505 -0.161 20 30 IBEDRN C[C@@H](CC(=O)N(C)Cc1nnc2n1CCN(C)C2=O)/N=C1/NS(=O)(=O)c2ccccc21 ZINC001455754317 1074487592 /nfs/dbraw/zinc/48/75/92/1074487592.db2.gz OEFLUDHZLZOWSL-LBPRGKRZSA-N 0 0 445.505 -0.161 20 30 IBEDRN C#CCN1CCC(NC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccccc2)CC1 ZINC001455947320 1074489205 /nfs/dbraw/zinc/48/92/05/1074489205.db2.gz RKQXLCFSCIVPLI-GOSISDBHSA-N 0 0 441.575 -0.018 20 30 IBEDRN C#CCN1CCC(NC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccccc2)CC1 ZINC001455947327 1074489307 /nfs/dbraw/zinc/48/93/07/1074489307.db2.gz RKQXLCFSCIVPLI-SFHVURJKSA-N 0 0 441.575 -0.018 20 30 IBEDRN COCCNS(=O)(=O)c1ccc(C)c(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c1 ZINC001456221848 1074491331 /nfs/dbraw/zinc/49/13/31/1074491331.db2.gz PLZCHVWMOGIYGN-KSSFIOAISA-N 0 0 441.531 -0.070 20 30 IBEDRN N#C[C@@]12CN(C(=O)CCC(=O)N3CCN(c4ncccn4)CC3)C[C@H]1CS(=O)(=O)C2 ZINC001456224496 1074491988 /nfs/dbraw/zinc/49/19/88/1074491988.db2.gz SKTRZWGYPOZRRN-KXBFYZLASA-N 0 0 432.506 -0.698 20 30 IBEDRN C[C@@H](CC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)/N=C1/NS(=O)(=O)c2ccccc21 ZINC001456227139 1074492014 /nfs/dbraw/zinc/49/20/14/1074492014.db2.gz YUVGFYSKOXAFMX-LXIYXOSZSA-N 0 0 436.515 -0.100 20 30 IBEDRN C[C@H](CC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)/N=C1/NS(=O)(=O)c2ccccc21 ZINC001456227265 1074491967 /nfs/dbraw/zinc/49/19/67/1074491967.db2.gz YUVGFYSKOXAFMX-VBHSOAQHSA-N 0 0 436.515 -0.100 20 30 IBEDRN COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1 ZINC001456227845 1074491951 /nfs/dbraw/zinc/49/19/51/1074491951.db2.gz ZISAYCZEWQPECL-DCGLDWPTSA-N 0 0 427.504 -0.241 20 30 IBEDRN N#C[C@]12CN(C(=O)[C@H]3C[C@@H](O)CN3C(=O)Cc3ccccc3F)C[C@H]1CS(=O)(=O)C2 ZINC001456613885 1074494463 /nfs/dbraw/zinc/49/44/63/1074494463.db2.gz PJKJPWRUNXDHQR-DKYLXPRQSA-N 0 0 435.477 -0.273 20 30 IBEDRN N#C[C@]12CN(C(=O)[C@H]3C[C@H](O)CN3C(=O)Cc3ccccc3F)C[C@H]1CS(=O)(=O)C2 ZINC001456613886 1074494441 /nfs/dbraw/zinc/49/44/41/1074494441.db2.gz PJKJPWRUNXDHQR-JTWUUNPKSA-N 0 0 435.477 -0.273 20 30 IBEDRN N#C[C@]12CN(C(=O)[C@@H]3C[C@H](O)CN3C(=O)Cc3ccccc3F)C[C@H]1CS(=O)(=O)C2 ZINC001456613887 1074494508 /nfs/dbraw/zinc/49/45/08/1074494508.db2.gz PJKJPWRUNXDHQR-MZRZTIOWSA-N 0 0 435.477 -0.273 20 30 IBEDRN N#C[C@]12CN(C(=O)[C@@H]3C[C@@H](O)CN3C(=O)Cc3ccccc3F)C[C@H]1CS(=O)(=O)C2 ZINC001456613888 1074494516 /nfs/dbraw/zinc/49/45/16/1074494516.db2.gz PJKJPWRUNXDHQR-NVALYEJGSA-N 0 0 435.477 -0.273 20 30 IBEDRN C#CC1(O)CN(C(=O)CCc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2C)C1 ZINC001456810585 1074495556 /nfs/dbraw/zinc/49/55/56/1074495556.db2.gz SGUILAOZDYHDJP-UHFFFAOYSA-N 0 0 432.502 -0.267 20 30 IBEDRN C=CCn1nc(C)c(-c2cc(C(=O)N3CCN([C@@H]4CS(=O)(=O)C[C@@H]4O)CC3)[nH]n2)c1C ZINC001457605105 1074499273 /nfs/dbraw/zinc/49/92/73/1074499273.db2.gz XJEQOOFMBSQYFB-MSOLQXFVSA-N 0 0 448.549 -0.008 20 30 IBEDRN C=CCn1nc(C)c(-c2cc(C(=O)N3CCN([C@@H]4CS(=O)(=O)C[C@H]4O)CC3)[nH]n2)c1C ZINC001457605136 1074499325 /nfs/dbraw/zinc/49/93/25/1074499325.db2.gz XJEQOOFMBSQYFB-QZTJIDSGSA-N 0 0 448.549 -0.008 20 30 IBEDRN C=CCn1nc(C)c(-c2cc(C(=O)N3CCN([C@H]4CS(=O)(=O)C[C@@H]4O)CC3)[nH]n2)c1C ZINC001457605143 1074499310 /nfs/dbraw/zinc/49/93/10/1074499310.db2.gz XJEQOOFMBSQYFB-ROUUACIJSA-N 0 0 448.549 -0.008 20 30 IBEDRN C=CCn1nc(C)c(-c2cc(C(=O)N3CCN([C@H]4CS(=O)(=O)C[C@H]4O)CC3)[nH]n2)c1C ZINC001457605149 1074499339 /nfs/dbraw/zinc/49/93/39/1074499339.db2.gz XJEQOOFMBSQYFB-ZWKOTPCHSA-N 0 0 448.549 -0.008 20 30 IBEDRN C[C@@]1(c2ccc(C#N)cc2)NC(=O)N(CC(=O)NC2CCN(S(C)(=O)=O)CC2)C1=O ZINC001458739147 1074501337 /nfs/dbraw/zinc/50/13/37/1074501337.db2.gz ZMVLNTNNJKNWQE-IBGZPJMESA-N 0 0 433.490 -0.135 20 30 IBEDRN C[C@]1(c2ccc(C#N)cc2)NC(=O)N(CC(=O)NC2CCN(S(C)(=O)=O)CC2)C1=O ZINC001458739160 1074501252 /nfs/dbraw/zinc/50/12/52/1074501252.db2.gz ZMVLNTNNJKNWQE-LJQANCHMSA-N 0 0 433.490 -0.135 20 30 IBEDRN Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)Cn2c(=O)c(C#N)cn(C)c2=O)CC1 ZINC001458890955 1074501272 /nfs/dbraw/zinc/50/12/72/1074501272.db2.gz LMOOKZYTVNHMJG-UHFFFAOYSA-N 0 0 438.488 -0.182 20 30 IBEDRN Cn1cc(C#N)c(=O)n(CC(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)c1=O ZINC001458892663 1074501204 /nfs/dbraw/zinc/50/12/04/1074501204.db2.gz PDRUFXLTVIJASG-UHFFFAOYSA-N 0 0 428.424 -0.659 20 30 IBEDRN Cc1c(C#N)c(=O)n(CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)c(=O)n1C ZINC001459211737 1074501654 /nfs/dbraw/zinc/50/16/54/1074501654.db2.gz QWABWKQWYQFPDZ-UHFFFAOYSA-N 0 0 445.501 -0.599 20 30 IBEDRN Cc1c(C#N)c(=O)n(CC(=O)NCCCN(C(C)C)S(C)(=O)=O)c(=O)n1C1CC1 ZINC001459217435 1074501694 /nfs/dbraw/zinc/50/16/94/1074501694.db2.gz KOJGHSPQJMJWHK-UHFFFAOYSA-N 0 0 425.511 -0.299 20 30 IBEDRN Cc1c(C#N)c(=O)n(CC(=O)N2CCC(C(=O)N3CCCCCC3)CC2)c(=O)n1CCO ZINC001459235108 1074501720 /nfs/dbraw/zinc/50/17/20/1074501720.db2.gz FRGBYCGSZJFNJT-UHFFFAOYSA-N 0 0 445.520 -0.176 20 30 IBEDRN N#CCC1(O)CN(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)C1 ZINC001460003875 1074503726 /nfs/dbraw/zinc/50/37/26/1074503726.db2.gz QXDHVFBQJDPOAI-UHFFFAOYSA-N 0 0 436.490 -0.749 20 30 IBEDRN N#CCC(=O)N1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)CC1 ZINC001460121930 1074504218 /nfs/dbraw/zinc/50/42/18/1074504218.db2.gz FJHGZVUNCBGSKQ-UHFFFAOYSA-N 0 0 437.497 -0.284 20 30 IBEDRN CNS(=O)(=O)N1CCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CC1 ZINC001460179494 1074504807 /nfs/dbraw/zinc/50/48/07/1074504807.db2.gz YKFHNOUPPSJCTM-HNNXBMFYSA-N 0 0 426.568 -0.461 20 30 IBEDRN CNS(=O)(=O)N1CCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CC1 ZINC001460179498 1074504706 /nfs/dbraw/zinc/50/47/06/1074504706.db2.gz YKFHNOUPPSJCTM-OAHLLOKOSA-N 0 0 426.568 -0.461 20 30 IBEDRN C#C[C@H]1COCCN1CC(=O)N(CCOC)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC001460224003 1074505237 /nfs/dbraw/zinc/50/52/37/1074505237.db2.gz UIZIKSKOAMTBSD-KRWDZBQOSA-N 0 0 441.488 -0.107 20 30 IBEDRN C#C[C@@H]1COCCN1CC(=O)N(CCOC)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC001460224005 1074505337 /nfs/dbraw/zinc/50/53/37/1074505337.db2.gz UIZIKSKOAMTBSD-QGZVFWFLSA-N 0 0 441.488 -0.107 20 30 IBEDRN C#CC1(O)CN(CC(=O)N(CCOC)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)C1 ZINC001460901651 1074511147 /nfs/dbraw/zinc/51/11/47/1074511147.db2.gz MYSHOHCCHOVXEP-UHFFFAOYSA-N 0 0 427.461 -0.761 20 30 IBEDRN N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)[C@H]3CC(=O)N(C4CC4)C3)CC2)cc1 ZINC001462793449 1074516920 /nfs/dbraw/zinc/51/69/20/1074516920.db2.gz YYMXECGAKWWKLX-KRWDZBQOSA-N 0 0 438.531 -0.042 20 30 IBEDRN N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)[C@@H]3CC(=O)N(C4CC4)C3)CC2)cc1 ZINC001462793737 1074516962 /nfs/dbraw/zinc/51/69/62/1074516962.db2.gz YYMXECGAKWWKLX-QGZVFWFLSA-N 0 0 438.531 -0.042 20 30 IBEDRN N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)CCN3CCOC3=O)CC2)cc1 ZINC001462793887 1074517473 /nfs/dbraw/zinc/51/74/73/1074517473.db2.gz ZOOWTFLMMAQJMK-UHFFFAOYSA-N 0 0 428.492 -0.353 20 30 IBEDRN Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)c(C#N)c1 ZINC001462816581 1074518033 /nfs/dbraw/zinc/51/80/33/1074518033.db2.gz MUKHIINRALGFOZ-UHFFFAOYSA-N 0 0 427.552 -0.335 20 30 IBEDRN COCCN(CCC#N)S(=O)(=O)N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 ZINC001462845925 1074518457 /nfs/dbraw/zinc/51/84/57/1074518457.db2.gz UOSSNNDREBYXIH-UHFFFAOYSA-N 0 0 429.543 -0.471 20 30 IBEDRN Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)c(C#N)c1 ZINC001462862679 1074518935 /nfs/dbraw/zinc/51/89/35/1074518935.db2.gz VKOQKNAMTHMEDM-HNNXBMFYSA-N 0 0 447.560 -0.310 20 30 IBEDRN Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)c(C#N)c1 ZINC001462862795 1074518957 /nfs/dbraw/zinc/51/89/57/1074518957.db2.gz VKOQKNAMTHMEDM-OAHLLOKOSA-N 0 0 447.560 -0.310 20 30 IBEDRN CC(C)(C)OC(=O)N1CCN(CC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)C(=O)C1 ZINC001462995921 1074520211 /nfs/dbraw/zinc/52/02/11/1074520211.db2.gz BCEHSHUJZKFOFH-UGSOOPFHSA-N 0 0 426.495 -0.538 20 30 IBEDRN N#C[C@]12CN(C(=O)c3cccc(CN4CCS(=O)(=O)CC4)c3)C[C@H]1CS(=O)(=O)C2 ZINC001463162283 1074521512 /nfs/dbraw/zinc/52/15/12/1074521512.db2.gz AWEZFHXNCQKNQI-PKOBYXMFSA-N 0 0 437.543 -0.073 20 30 IBEDRN C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cc3c4c(c2)CCC(=O)N4CC3)CC1 ZINC001463163662 1074521385 /nfs/dbraw/zinc/52/13/85/1074521385.db2.gz BSLSKCUEVHHTLU-UHFFFAOYSA-N 0 0 430.530 -0.032 20 30 IBEDRN COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)C1=O ZINC001463163752 1074521539 /nfs/dbraw/zinc/52/15/39/1074521539.db2.gz PMGBIWOMVFOTPL-CJMONDIMSA-N 0 0 446.485 -0.141 20 30 IBEDRN COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)C1=O ZINC001463163767 1074521350 /nfs/dbraw/zinc/52/13/50/1074521350.db2.gz PMGBIWOMVFOTPL-QTJFZDIUSA-N 0 0 446.485 -0.141 20 30 IBEDRN C#CCNC(=O)CN1CCCN(S(=O)(=O)CCCS(=O)(=O)C(F)(F)F)CC1 ZINC001463164121 1074521341 /nfs/dbraw/zinc/52/13/41/1074521341.db2.gz CZLWBDKQMWOCNG-UHFFFAOYSA-N 0 0 433.474 -0.602 20 30 IBEDRN C#CCNC(=O)CN1CCCN(S(=O)(=O)Cc2cccc(S(C)(=O)=O)c2)CC1 ZINC001463169740 1074521482 /nfs/dbraw/zinc/52/14/82/1074521482.db2.gz YOWOJXCOHXWNKA-UHFFFAOYSA-N 0 0 427.548 -0.323 20 30 IBEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3C[C@@H](O)CN3c3ccncn3)CC2)cc1 ZINC001464031855 1074528335 /nfs/dbraw/zinc/52/83/35/1074528335.db2.gz JNWRFAOEJVNKJA-AEFFLSMTSA-N 0 0 442.501 -0.179 20 30 IBEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3C[C@H](O)CN3c3ccncn3)CC2)cc1 ZINC001464031880 1074528359 /nfs/dbraw/zinc/52/83/59/1074528359.db2.gz JNWRFAOEJVNKJA-FUHWJXTLSA-N 0 0 442.501 -0.179 20 30 IBEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3C[C@@H](O)CN3c3ccncn3)CC2)cc1 ZINC001464031884 1074528309 /nfs/dbraw/zinc/52/83/09/1074528309.db2.gz JNWRFAOEJVNKJA-SJLPKXTDSA-N 0 0 442.501 -0.179 20 30 IBEDRN N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3C[C@H](O)CN3c3ccncn3)CC2)cc1 ZINC001464031888 1074528330 /nfs/dbraw/zinc/52/83/30/1074528330.db2.gz JNWRFAOEJVNKJA-WMZOPIPTSA-N 0 0 442.501 -0.179 20 30 IBEDRN CS(=O)(=O)N1CCN(S(=O)(=O)N2CCN(c3ccc(F)cc3C#N)CC2)CC1 ZINC001464294456 1074532711 /nfs/dbraw/zinc/53/27/11/1074532711.db2.gz PDNNGGSSQMEUHD-UHFFFAOYSA-N 0 0 431.515 -0.359 20 30 IBEDRN COc1cc(C#N)ccc1C(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC001464316005 1074532998 /nfs/dbraw/zinc/53/29/98/1074532998.db2.gz BZKDDCAXUMXXSC-AWEZNQCLSA-N 0 0 427.504 -0.158 20 30 IBEDRN COc1cc(C#N)ccc1C(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001464316012 1074533042 /nfs/dbraw/zinc/53/30/42/1074533042.db2.gz BZKDDCAXUMXXSC-CQSZACIVSA-N 0 0 427.504 -0.158 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2nc(C)n(C)c2Br)CC1 ZINC001464364313 1074534484 /nfs/dbraw/zinc/53/44/84/1074534484.db2.gz KOONDTJKRXRJQW-UHFFFAOYSA-N 0 0 440.345 -0.735 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)CC1 ZINC001464365632 1074534534 /nfs/dbraw/zinc/53/45/34/1074534534.db2.gz SWUZYFSRTCAYJJ-UHFFFAOYSA-N 0 0 435.549 -0.828 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2cc(NC(C)=O)ccc2OC)CC1 ZINC001464366366 1074534498 /nfs/dbraw/zinc/53/44/98/1074534498.db2.gz ATWKEIKDCYZRKB-UHFFFAOYSA-N 0 0 430.508 -0.573 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(S(=O)(=O)CC2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC001464366411 1074534472 /nfs/dbraw/zinc/53/44/72/1074534472.db2.gz BDKRSZNHFNNUHD-UHFFFAOYSA-N 0 0 436.556 -0.732 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(Cl)nc2C(=O)OC)CC1 ZINC001464366561 1074534540 /nfs/dbraw/zinc/53/45/40/1074534540.db2.gz CPHFTAOBCZFWMJ-UHFFFAOYSA-N 0 0 436.899 -0.705 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)N(C(C)=O)CC3)CC1 ZINC001464366980 1074534476 /nfs/dbraw/zinc/53/44/76/1074534476.db2.gz DQZUWSIQDPJWNE-UHFFFAOYSA-N 0 0 426.520 -0.631 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(CS(C)(=O)=O)cc2)CC1 ZINC001464367650 1074534359 /nfs/dbraw/zinc/53/43/59/1074534359.db2.gz IXUJYHODABQBNW-UHFFFAOYSA-N 0 0 435.549 -0.995 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(S(=O)(=O)Cc2ncsc2Br)CC1 ZINC001464371539 1074534591 /nfs/dbraw/zinc/53/45/91/1074534591.db2.gz VDYFBQGRZKOBFX-UHFFFAOYSA-N 0 0 443.370 -0.179 20 30 IBEDRN CN(C)S(=O)(=O)c1cccc(S(=O)(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c1 ZINC001464628782 1074537939 /nfs/dbraw/zinc/53/79/39/1074537939.db2.gz AVKGZFKWAVVRMN-WFASDCNBSA-N 0 0 433.533 -0.504 20 30 IBEDRN CC(C)(C)OC(=O)N1CC(N2C[C@@H](NS(=O)(=O)N3CCO[C@H](C#N)C3)CC2=O)C1 ZINC001464742806 1074539636 /nfs/dbraw/zinc/53/96/36/1074539636.db2.gz XBVSRSDTOHUYSI-GXTWGEPZSA-N 0 0 429.499 -0.735 20 30 IBEDRN CC(C)(C)OC(=O)N1CC(N2C[C@@H](NS(=O)(=O)N3CCO[C@@H](C#N)C3)CC2=O)C1 ZINC001464742817 1074540266 /nfs/dbraw/zinc/54/02/66/1074540266.db2.gz XBVSRSDTOHUYSI-JSGCOSHPSA-N 0 0 429.499 -0.735 20 30 IBEDRN CC(C)(C)OC(=O)N1CC(N2C[C@H](NS(=O)(=O)N3CCO[C@@H](C#N)C3)CC2=O)C1 ZINC001464742818 1074540178 /nfs/dbraw/zinc/54/01/78/1074540178.db2.gz XBVSRSDTOHUYSI-OCCSQVGLSA-N 0 0 429.499 -0.735 20 30 IBEDRN CC(C)(C)OC(=O)N1CC(N2C[C@H](NS(=O)(=O)N3CCO[C@H](C#N)C3)CC2=O)C1 ZINC001464742819 1074540183 /nfs/dbraw/zinc/54/01/83/1074540183.db2.gz XBVSRSDTOHUYSI-TZMCWYRMSA-N 0 0 429.499 -0.735 20 30 IBEDRN C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CCCN(CC(=O)OC(C)(C)C)C2=O)CC1 ZINC001464846071 1074541536 /nfs/dbraw/zinc/54/15/36/1074541536.db2.gz LFUQARCGVQHSPX-KRWDZBQOSA-N 0 0 434.537 -0.150 20 30 IBEDRN C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CCCN(CC(=O)OC(C)(C)C)C2=O)CC1 ZINC001464846076 1074541765 /nfs/dbraw/zinc/54/17/65/1074541765.db2.gz LFUQARCGVQHSPX-QGZVFWFLSA-N 0 0 434.537 -0.150 20 30 IBEDRN C#CCNC(=O)CN1CCCN(C(=O)c2ccc(S(=O)(=O)NC[C@H](C)O)cc2)CC1 ZINC001464847566 1074541676 /nfs/dbraw/zinc/54/16/76/1074541676.db2.gz PCGKQSUCJXGJQU-INIZCTEOSA-N 0 0 436.534 -0.757 20 30 IBEDRN C#CCNC(=O)CN1CCCN(C(=O)c2ccc(S(=O)(=O)NC[C@@H](C)O)cc2)CC1 ZINC001464847571 1074541624 /nfs/dbraw/zinc/54/16/24/1074541624.db2.gz PCGKQSUCJXGJQU-MRXNPFEDSA-N 0 0 436.534 -0.757 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)CC1 ZINC001464934872 1074543635 /nfs/dbraw/zinc/54/36/35/1074543635.db2.gz KQFPHVZGCDKYQE-UHFFFAOYSA-N 0 0 441.535 -0.256 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccccc2C(=O)N2CCOCC2)CC1 ZINC001465005989 1074543969 /nfs/dbraw/zinc/54/39/69/1074543969.db2.gz PJDNYJGNCCAXSC-UHFFFAOYSA-N 0 0 435.506 -0.224 20 30 IBEDRN CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CC(=O)N2CCN(C(=O)CC#N)CC2)C1 ZINC001465872300 1074550403 /nfs/dbraw/zinc/55/04/03/1074550403.db2.gz IOQKJZRKEQFEHG-AWEZNQCLSA-N 0 0 428.511 -0.005 20 30 IBEDRN CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CC(=O)N2CCN(C(=O)CC#N)CC2)C1 ZINC001465872301 1074550298 /nfs/dbraw/zinc/55/02/98/1074550298.db2.gz IOQKJZRKEQFEHG-CQSZACIVSA-N 0 0 428.511 -0.005 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc3c2CCN3C(=O)COC)CC1 ZINC001466115868 1074551233 /nfs/dbraw/zinc/55/12/33/1074551233.db2.gz WXLRWVADZRWNQE-UHFFFAOYSA-N 0 0 435.506 -0.161 20 30 IBEDRN C=CCS(=O)(=O)CCNC(=O)[C@@]12CN(C(=O)OC(C)(C)C)C[C@@H]1CS(=O)(=O)C2 ZINC001466320168 1074552337 /nfs/dbraw/zinc/55/23/37/1074552337.db2.gz RSYGMAPYUJLCGL-CXAGYDPISA-N 0 0 436.552 -0.015 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cnn(Cc3nnc4n3CCCC4)c2)CC1 ZINC001466380998 1074552128 /nfs/dbraw/zinc/55/21/28/1074552128.db2.gz HUPXRBHYXNJBKF-UHFFFAOYSA-N 0 0 447.525 -0.524 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(NS(C)(=O)=O)ccc2OC)CC1 ZINC001466613141 1074553559 /nfs/dbraw/zinc/55/35/59/1074553559.db2.gz WDKFBCCTUFKMRS-UHFFFAOYSA-N 0 0 445.523 -0.316 20 30 IBEDRN CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(S(=O)(=O)c2nc[nH]n2)CC1 ZINC001466780088 1074553965 /nfs/dbraw/zinc/55/39/65/1074553965.db2.gz WIAKZNPQTGLSNH-CYBMUJFWSA-N 0 0 426.499 -0.056 20 30 IBEDRN CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(S(=O)(=O)c2nc[nH]n2)CC1 ZINC001466780090 1074553996 /nfs/dbraw/zinc/55/39/96/1074553996.db2.gz WIAKZNPQTGLSNH-ZDUSSCGKSA-N 0 0 426.499 -0.056 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(S(=O)(=O)N(C)C)c(C)c2)CC1 ZINC001467445495 1074556200 /nfs/dbraw/zinc/55/62/00/1074556200.db2.gz MRNNPGRLQIPENG-UHFFFAOYSA-N 0 0 443.551 -0.138 20 30 IBEDRN C=CCn1cc(CNC(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)nn1 ZINC001467647766 1074558083 /nfs/dbraw/zinc/55/80/83/1074558083.db2.gz WUMYWQRLBMVAOU-UHFFFAOYSA-N 0 0 434.526 -0.190 20 30 IBEDRN CNS(=O)(=O)Cc1ccc(CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1 ZINC001467818543 1074558937 /nfs/dbraw/zinc/55/89/37/1074558937.db2.gz JBHAMTGCNQNNNU-DOTOQJQBSA-N 0 0 426.520 -0.184 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc(N3CCO[C@@H](C)C3)nc2)CC1 ZINC001467881131 1074559672 /nfs/dbraw/zinc/55/96/72/1074559672.db2.gz KXPAGHWYGFFQKR-INIZCTEOSA-N 0 0 436.538 -0.399 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc(N3CCO[C@H](C)C3)nc2)CC1 ZINC001467881145 1074559907 /nfs/dbraw/zinc/55/99/07/1074559907.db2.gz KXPAGHWYGFFQKR-MRXNPFEDSA-N 0 0 436.538 -0.399 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)NCc2cccc(NS(C)(=O)=O)c2)CC1 ZINC001467910599 1074560101 /nfs/dbraw/zinc/56/01/01/1074560101.db2.gz SAMGMDOGIVEKAQ-UHFFFAOYSA-N 0 0 429.524 -0.647 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)NCCNC(=O)c2ccccc2Cl)CC1 ZINC001467953689 1074560468 /nfs/dbraw/zinc/56/04/68/1074560468.db2.gz XHFFPXJEUQWSDI-UHFFFAOYSA-N 0 0 427.914 -0.135 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccccc2CN2CCOCC2)CC1 ZINC001467969703 1074560481 /nfs/dbraw/zinc/56/04/81/1074560481.db2.gz ZSUWNCIUBHWJAG-UHFFFAOYSA-N 0 0 435.550 -0.186 20 30 IBEDRN CS(=O)(=O)CC[C@H](NC(=O)c1ccccc1Br)C(=O)N[C@@H](C#N)CO ZINC001468042313 1074561762 /nfs/dbraw/zinc/56/17/62/1074561762.db2.gz UVDBUEGDPWABCZ-GWCFXTLKSA-N 0 0 432.296 -0.017 20 30 IBEDRN CS(=O)(=O)CC[C@@H](NC(=O)c1ccccc1Br)C(=O)N[C@@H](C#N)CO ZINC001468042314 1074561920 /nfs/dbraw/zinc/56/19/20/1074561920.db2.gz UVDBUEGDPWABCZ-GXFFZTMASA-N 0 0 432.296 -0.017 20 30 IBEDRN CS(=O)(=O)CC[C@H](NC(=O)c1ccccc1Br)C(=O)N[C@H](C#N)CO ZINC001468042315 1074561822 /nfs/dbraw/zinc/56/18/22/1074561822.db2.gz UVDBUEGDPWABCZ-MFKMUULPSA-N 0 0 432.296 -0.017 20 30 IBEDRN CS(=O)(=O)CC[C@@H](NC(=O)c1ccccc1Br)C(=O)N[C@H](C#N)CO ZINC001468042316 1074561789 /nfs/dbraw/zinc/56/17/89/1074561789.db2.gz UVDBUEGDPWABCZ-ZWNOBZJWSA-N 0 0 432.296 -0.017 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)NCCS(=O)(=O)Cc2ccccc2)CC1 ZINC001468204432 1074563019 /nfs/dbraw/zinc/56/30/19/1074563019.db2.gz RKWIHPREPOBFHS-UHFFFAOYSA-N 0 0 428.536 -0.604 20 30 IBEDRN O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCCS(=O)(=O)C1CCOCC1 ZINC001468211990 1074563033 /nfs/dbraw/zinc/56/30/33/1074563033.db2.gz ZMKDZVLOCLNJQO-UHFFFAOYSA-N 0 0 429.520 -0.175 20 30 IBEDRN CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)N[C@H]3CCCN(O)C3=O)ccc2F)CC1 ZINC001468452949 1074564917 /nfs/dbraw/zinc/56/49/17/1074564917.db2.gz LNRHHHFLGMDWEX-HNNXBMFYSA-N 0 0 442.469 -0.212 20 30 IBEDRN CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)N[C@@H]3CCCN(O)C3=O)ccc2F)CC1 ZINC001468452953 1074564963 /nfs/dbraw/zinc/56/49/63/1074564963.db2.gz LNRHHHFLGMDWEX-OAHLLOKOSA-N 0 0 442.469 -0.212 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)NCC(=O)N2CCN(c3ccccc3)CC2)CC1 ZINC001468489927 1074565399 /nfs/dbraw/zinc/56/53/99/1074565399.db2.gz AKEQMAFCWLNCTD-UHFFFAOYSA-N 0 0 448.549 -0.870 20 30 IBEDRN C#CC[C@@H](CO)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC001468557337 1074565903 /nfs/dbraw/zinc/56/59/03/1074565903.db2.gz BZVALCODLCEGAP-INIZCTEOSA-N 0 0 437.518 -0.191 20 30 IBEDRN C#CC[C@H](CO)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC001468557338 1074565799 /nfs/dbraw/zinc/56/57/99/1074565799.db2.gz BZVALCODLCEGAP-MRXNPFEDSA-N 0 0 437.518 -0.191 20 30 IBEDRN CC(C)NS(=O)(=O)N1CCN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1 ZINC001468892217 1074570013 /nfs/dbraw/zinc/57/00/13/1074570013.db2.gz FDFCXQIQSXEQNI-UHFFFAOYSA-N 0 0 428.536 -0.140 20 30 IBEDRN CC(C)NS(=O)(=O)N1CCN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 ZINC001468892499 1074570121 /nfs/dbraw/zinc/57/01/21/1074570121.db2.gz JNNJFTDLINSLJY-AWEZNQCLSA-N 0 0 443.551 -0.388 20 30 IBEDRN CC(C)NS(=O)(=O)N1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 ZINC001468892502 1074570048 /nfs/dbraw/zinc/57/00/48/1074570048.db2.gz JNNJFTDLINSLJY-CQSZACIVSA-N 0 0 443.551 -0.388 20 30 IBEDRN C#CCN(C(=O)NC1CCN(S(=O)(=O)C2CCOCC2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC001468916698 1074570534 /nfs/dbraw/zinc/57/05/34/1074570534.db2.gz AGULAQVVSOWESH-INIZCTEOSA-N 0 0 447.579 -0.209 20 30 IBEDRN C#CCN(C(=O)NC1CCN(S(=O)(=O)C2CCOCC2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC001468916700 1074570419 /nfs/dbraw/zinc/57/04/19/1074570419.db2.gz AGULAQVVSOWESH-MRXNPFEDSA-N 0 0 447.579 -0.209 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)NCc2cn(-c3ccc(OC)cc3)nn2)CC1 ZINC001469268805 1074573747 /nfs/dbraw/zinc/57/37/47/1074573747.db2.gz WLLOYOZJYGFQKB-UHFFFAOYSA-N 0 0 433.494 -0.429 20 30 IBEDRN Cc1ccc(S(=O)(=O)NCCNC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)s1 ZINC001469478485 1074574629 /nfs/dbraw/zinc/57/46/29/1074574629.db2.gz KKDNVMDABXBTRM-WFASDCNBSA-N 0 0 432.549 -0.085 20 30 IBEDRN COC(OC)C(=O)N1CCN(C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC001469991213 1074578984 /nfs/dbraw/zinc/57/89/84/1074578984.db2.gz ITTOSELNDWKEIG-CYBMUJFWSA-N 0 0 438.506 -0.207 20 30 IBEDRN COC(OC)C(=O)N1CCN(C(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC001469991214 1074578908 /nfs/dbraw/zinc/57/89/08/1074578908.db2.gz ITTOSELNDWKEIG-ZDUSSCGKSA-N 0 0 438.506 -0.207 20 30 IBEDRN C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(S(=O)(=O)C2CC2)CC1 ZINC001470192640 1074580113 /nfs/dbraw/zinc/58/01/13/1074580113.db2.gz CDQYEUPCZQXGAZ-CYBMUJFWSA-N 0 0 426.520 -0.139 20 30 IBEDRN C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(S(=O)(=O)C2CC2)CC1 ZINC001470192641 1074580534 /nfs/dbraw/zinc/58/05/34/1074580534.db2.gz CDQYEUPCZQXGAZ-ZDUSSCGKSA-N 0 0 426.520 -0.139 20 30 IBEDRN CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)C[C@@H](C)/N=C3/NS(=O)(=O)c4ccccc43)C[C@H]21 ZINC001470202533 1074580599 /nfs/dbraw/zinc/58/05/99/1074580599.db2.gz JBGDMAZIKRACIR-UJDVCPFMSA-N 0 0 441.531 -0.226 20 30 IBEDRN CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)C[C@H](C)/N=C3/NS(=O)(=O)c4ccccc43)C[C@H]21 ZINC001470202536 1074580470 /nfs/dbraw/zinc/58/04/70/1074580470.db2.gz JBGDMAZIKRACIR-ZIEJDFEHSA-N 0 0 441.531 -0.226 20 30 IBEDRN CN1C2(CCC2)COC[C@@]1(CO)CNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 ZINC001470227326 1074580905 /nfs/dbraw/zinc/58/09/05/1074580905.db2.gz ZFLKUMWEUTXFKT-FQEVSTJZSA-N 0 0 436.534 -0.153 20 30 IBEDRN CN1C2(CCC2)COC[C@]1(CO)CNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 ZINC001470227327 1074581437 /nfs/dbraw/zinc/58/14/37/1074581437.db2.gz ZFLKUMWEUTXFKT-HXUWFJFHSA-N 0 0 436.534 -0.153 20 30 IBEDRN C=CCN1C(=O)c2ccc(C(=O)N3C[C@@H](N4C(=O)CNC4=O)C[C@H]3C(=O)OC)cc2C1=O ZINC001470308855 1074582577 /nfs/dbraw/zinc/58/25/77/1074582577.db2.gz OGFHHRYRTVPLKH-WFASDCNBSA-N 0 0 440.412 -0.224 20 30 IBEDRN CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](N2C(=O)CNC2=O)C[C@H]1C(=O)OC ZINC001470313228 1074582667 /nfs/dbraw/zinc/58/26/67/1074582667.db2.gz XWQWXTFCPLKLIG-IHRRRGAJSA-N 0 0 436.465 -0.013 20 30 IBEDRN CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](N2C(=O)CNC2=O)C[C@H]1C(=O)OC ZINC001470313232 1074582655 /nfs/dbraw/zinc/58/26/55/1074582655.db2.gz XWQWXTFCPLKLIG-MJBXVCDLSA-N 0 0 436.465 -0.013 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@H]2CS(=O)(=O)c3ccccc3O2)CC1 ZINC001470596890 1074584568 /nfs/dbraw/zinc/58/45/68/1074584568.db2.gz HSFHDZAQYKTUFZ-AWEZNQCLSA-N 0 0 442.519 -0.984 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@@H]2CS(=O)(=O)c3ccccc3O2)CC1 ZINC001470596896 1074584463 /nfs/dbraw/zinc/58/44/63/1074584463.db2.gz HSFHDZAQYKTUFZ-CQSZACIVSA-N 0 0 442.519 -0.984 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2CCO[C@@](COC)(C(=O)OC(C)(C)C)C2)C1=O ZINC001470694812 1074586325 /nfs/dbraw/zinc/58/63/25/1074586325.db2.gz NVLMZQNFASDYGC-IBGZPJMESA-N 0 0 425.438 -0.451 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2CCO[C@](COC)(C(=O)OC(C)(C)C)C2)C1=O ZINC001470694813 1074586359 /nfs/dbraw/zinc/58/63/59/1074586359.db2.gz NVLMZQNFASDYGC-LJQANCHMSA-N 0 0 425.438 -0.451 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2CS(=O)(=O)Cc3ccccc32)CC1 ZINC001470879938 1074588904 /nfs/dbraw/zinc/58/89/04/1074588904.db2.gz KVZGNIWPKZJBIN-INIZCTEOSA-N 0 0 426.520 -0.549 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2CS(=O)(=O)Cc3ccccc32)CC1 ZINC001470879957 1074589013 /nfs/dbraw/zinc/58/90/13/1074589013.db2.gz KVZGNIWPKZJBIN-MRXNPFEDSA-N 0 0 426.520 -0.549 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2C[C@@H](N3CCOCC3)C23CCC3)CC1 ZINC001470933245 1074588979 /nfs/dbraw/zinc/58/89/79/1074588979.db2.gz CVJPMDZNOILPGW-IAGOWNOFSA-N 0 0 425.555 -0.575 20 30 IBEDRN CC(=O)NCC(=O)N1CCCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 ZINC001470990512 1074589667 /nfs/dbraw/zinc/58/96/67/1074589667.db2.gz NQXCPJJENKASIG-UHFFFAOYSA-N 0 0 435.506 -0.311 20 30 IBEDRN CNS(=O)(=O)c1ccc(CCNC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1 ZINC001471091990 1074590754 /nfs/dbraw/zinc/59/07/54/1074590754.db2.gz UFDGSKZFBFEYBW-WMLDXEAASA-N 0 0 426.520 -0.283 20 30 IBEDRN CNS(=O)(=O)c1ccc(CCNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1 ZINC001471192728 1074592734 /nfs/dbraw/zinc/59/27/34/1074592734.db2.gz QLPYOBMJTQIMKK-UHFFFAOYSA-N 0 0 436.515 -0.008 20 30 IBEDRN O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC2(CC1)C[C@H](O)CNC2=O ZINC001471389451 1074594850 /nfs/dbraw/zinc/59/48/50/1074594850.db2.gz JWUHGZDGUIYIRO-AWEZNQCLSA-N 0 0 434.518 -0.005 20 30 IBEDRN O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC2(CC1)C[C@@H](O)CNC2=O ZINC001471389453 1074594909 /nfs/dbraw/zinc/59/49/09/1074594909.db2.gz JWUHGZDGUIYIRO-CQSZACIVSA-N 0 0 434.518 -0.005 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)c2[nH]c(C)c(C(=O)OCCOC)c2C)CC1 ZINC001471450476 1074595889 /nfs/dbraw/zinc/59/58/89/1074595889.db2.gz APEFHQDKERKPRE-UHFFFAOYSA-N 0 0 426.495 -0.340 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)c2cnn3cc(Br)cnc23)CC1 ZINC001471450480 1074595857 /nfs/dbraw/zinc/59/58/57/1074595857.db2.gz ASZJVRGONFHHIZ-UHFFFAOYSA-N 0 0 427.284 -0.283 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2CCCN(C(=O)NC3CCCC3)C2)CC1 ZINC001471450497 1074595816 /nfs/dbraw/zinc/59/58/16/1074595816.db2.gz BMLMYJYOMDQSIO-INIZCTEOSA-N 0 0 425.555 -0.038 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CCCN(C(=O)NC3CCCC3)C2)CC1 ZINC001471450498 1074595931 /nfs/dbraw/zinc/59/59/31/1074595931.db2.gz BMLMYJYOMDQSIO-MRXNPFEDSA-N 0 0 425.555 -0.038 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)C2=NN(c3ccc(F)cc3)C(=O)CC2=O)CC1 ZINC001471450506 1074595896 /nfs/dbraw/zinc/59/58/96/1074595896.db2.gz BWTWOTQRJQCACO-UHFFFAOYSA-N 0 0 435.437 -0.901 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)CN2C(=O)N[C@]3(CCCC(C)(C)C3)C2=O)CC1 ZINC001471450674 1074595850 /nfs/dbraw/zinc/59/58/50/1074595850.db2.gz GSGOGLKKPKBDAW-IBGZPJMESA-N 0 0 439.538 -0.511 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)CN2C(=O)N[C@@]3(CCCC(C)(C)C3)C2=O)CC1 ZINC001471450678 1074595921 /nfs/dbraw/zinc/59/59/21/1074595921.db2.gz GSGOGLKKPKBDAW-LJQANCHMSA-N 0 0 439.538 -0.511 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)c2ccccc2S(=O)(=O)CCN(C)C)CC1 ZINC001471450722 1074595844 /nfs/dbraw/zinc/59/58/44/1074595844.db2.gz HXVXBWHBFFZSRZ-UHFFFAOYSA-N 0 0 442.563 -0.753 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(OCC(=O)OC)c(OCC)c2)CC1 ZINC001471450796 1074595883 /nfs/dbraw/zinc/59/58/83/1074595883.db2.gz JJOATPLWCKWXFN-UHFFFAOYSA-N 0 0 439.490 -0.138 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](C)[C@@H](O)CN(C)C(=O)OC(C)(C)C)CC1 ZINC001471450808 1074595968 /nfs/dbraw/zinc/59/59/68/1074595968.db2.gz JQIFDBYIBAHEDE-CABCVRRESA-N 0 0 432.543 -0.538 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](C)[C@@H](O)CN(C)C(=O)OC(C)(C)C)CC1 ZINC001471450811 1074595837 /nfs/dbraw/zinc/59/58/37/1074595837.db2.gz JQIFDBYIBAHEDE-GJZGRUSLSA-N 0 0 432.543 -0.538 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](C)[C@H](O)CN(C)C(=O)OC(C)(C)C)CC1 ZINC001471450813 1074595979 /nfs/dbraw/zinc/59/59/79/1074595979.db2.gz JQIFDBYIBAHEDE-HUUCEWRRSA-N 0 0 432.543 -0.538 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](C)[C@H](O)CN(C)C(=O)OC(C)(C)C)CC1 ZINC001471450815 1074595871 /nfs/dbraw/zinc/59/58/71/1074595871.db2.gz JQIFDBYIBAHEDE-LSDHHAIUSA-N 0 0 432.543 -0.538 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)CCNS(=O)(=O)/C=C/c2ccccc2)CC1 ZINC001471450853 1074595957 /nfs/dbraw/zinc/59/59/57/1074595957.db2.gz KEYKEEWCKFYDNT-CXUHLZMHSA-N 0 0 440.547 -0.421 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)CCNS(=O)(=O)/C=C\c2ccccc2)CC1 ZINC001471450859 1074595987 /nfs/dbraw/zinc/59/59/87/1074595987.db2.gz KEYKEEWCKFYDNT-SXGWCWSVSA-N 0 0 440.547 -0.421 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)c2cccc(S(=O)(=O)NCC=C)c2)CC1 ZINC001471450965 1074595862 /nfs/dbraw/zinc/59/58/62/1074595862.db2.gz MAASKKUUBOJKIQ-UHFFFAOYSA-N 0 0 426.520 -0.624 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)c2cncc(I)c2)CC1 ZINC001471451003 1074595876 /nfs/dbraw/zinc/59/58/76/1074595876.db2.gz MKIAMOVQKVCPMC-UHFFFAOYSA-N 0 0 434.259 -0.088 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](Cc2cccc(F)c2)n2nnnc2C)CC1 ZINC001471451128 1074595866 /nfs/dbraw/zinc/59/58/66/1074595866.db2.gz NPJOZZCAYMGEJU-KRWDZBQOSA-N 0 0 435.485 -0.484 20 30 IBEDRN CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC(O)(c2ncnn2C)C1 ZINC001471608210 1074597784 /nfs/dbraw/zinc/59/77/84/1074597784.db2.gz DZHVPDLEUMFRDT-AWEZNQCLSA-N 0 0 432.506 -0.002 20 30 IBEDRN CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC(O)(c2ncnn2C)C1 ZINC001471608211 1074597726 /nfs/dbraw/zinc/59/77/26/1074597726.db2.gz DZHVPDLEUMFRDT-CQSZACIVSA-N 0 0 432.506 -0.002 20 30 IBEDRN C[C@H](CC(=O)N(C)Cc1nnc2n1CCNC2=O)/N=C1/NS(=O)(=O)c2ccccc21 ZINC001471858001 1074600462 /nfs/dbraw/zinc/60/04/62/1074600462.db2.gz VIDLPMHQTNVFAB-LLVKDONJSA-N 0 0 431.478 -0.503 20 30 IBEDRN C[C@@H](CC(=O)N(C)Cc1nnc2n1CCNC2=O)/N=C1/NS(=O)(=O)c2ccccc21 ZINC001471858005 1074600497 /nfs/dbraw/zinc/60/04/97/1074600497.db2.gz VIDLPMHQTNVFAB-NSHDSACASA-N 0 0 431.478 -0.503 20 30 IBEDRN C=CCN1C(=O)C(=O)N(CC(=O)N2CCn3ncc(I)c3C2)C1=O ZINC001472033802 1074604556 /nfs/dbraw/zinc/60/45/56/1074604556.db2.gz WOKGUJVRILIJLY-UHFFFAOYSA-N 0 0 443.201 -0.193 20 30 IBEDRN N#C[C@@]12CN(C(=O)c3ccccc3S(=O)(=O)N3CCOCC3)C[C@H]1CS(=O)(=O)C2 ZINC001472035708 1074604541 /nfs/dbraw/zinc/60/45/41/1074604541.db2.gz NIXKZHXNSTXFLN-KSSFIOAISA-N 0 0 439.515 -0.282 20 30 IBEDRN CN(CCO)S(=O)(=O)c1ccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1 ZINC001472036649 1074604576 /nfs/dbraw/zinc/60/45/76/1074604576.db2.gz XXBHXTSMCZUAPN-YOEHRIQHSA-N 0 0 427.504 -0.690 20 30 IBEDRN C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCN(c3cc(=O)n(C)c(=O)[nH]3)C2)cc1 ZINC001472121392 1074606312 /nfs/dbraw/zinc/60/63/12/1074606312.db2.gz IUSLDZQEUKWHQE-AWEZNQCLSA-N 0 0 433.490 -0.041 20 30 IBEDRN C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCN(c3cc(=O)n(C)c(=O)[nH]3)C2)cc1 ZINC001472121395 1074606322 /nfs/dbraw/zinc/60/63/22/1074606322.db2.gz IUSLDZQEUKWHQE-CQSZACIVSA-N 0 0 433.490 -0.041 20 30 IBEDRN C[C@@H](CC(=O)N1C[C@@H](C)[C@H](CS(N)(=O)=O)C1)/N=C1/NS(=O)(=O)c2ccccc21 ZINC001472155170 1074606890 /nfs/dbraw/zinc/60/68/90/1074606890.db2.gz RINDWNKTRJFTRQ-AGIUHOORSA-N 0 0 428.536 -0.113 20 30 IBEDRN C[C@H](CC(=O)N1C[C@@H](C)[C@H](CS(N)(=O)=O)C1)/N=C1/NS(=O)(=O)c2ccccc21 ZINC001472155171 1074606844 /nfs/dbraw/zinc/60/68/44/1074606844.db2.gz RINDWNKTRJFTRQ-UPJWGTAASA-N 0 0 428.536 -0.113 20 30 IBEDRN COCCOCC(=O)NC1CCC(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CC1 ZINC001472192203 1074607140 /nfs/dbraw/zinc/60/71/40/1074607140.db2.gz URKKTRDDCYZRPM-ICIBYLBGSA-N 0 0 427.523 -0.279 20 30 IBEDRN CN(CCO)S(=O)(=O)c1ccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1 ZINC001472192273 1074607162 /nfs/dbraw/zinc/60/71/62/1074607162.db2.gz XXBHXTSMCZUAPN-WMLDXEAASA-N 0 0 427.504 -0.690 20 30 IBEDRN N#C[C@]12CN(C(=O)CCC(=O)N3CCN(c4ccccn4)CC3)C[C@H]1CS(=O)(=O)C2 ZINC001472192405 1074607129 /nfs/dbraw/zinc/60/71/29/1074607129.db2.gz ZQLGIDIERPXDSL-OXJNMPFZSA-N 0 0 431.518 -0.093 20 30 IBEDRN Cc1nnc2n1C[C@@H](C(=O)N(C)C)N(C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C2 ZINC001472311110 1074607884 /nfs/dbraw/zinc/60/78/84/1074607884.db2.gz VJYFAWMOLYSMAZ-INIZCTEOSA-N 0 0 430.490 -0.128 20 30 IBEDRN Cc1nnc2n1C[C@H](C(=O)N(C)C)N(C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C2 ZINC001472311111 1074607952 /nfs/dbraw/zinc/60/79/52/1074607952.db2.gz VJYFAWMOLYSMAZ-MRXNPFEDSA-N 0 0 430.490 -0.128 20 30 IBEDRN Cc1c(Br)c(C)n(NC(=O)CNS(=O)(=O)c2cnn(C)c2)c(=O)c1C#N ZINC001472553932 1074610834 /nfs/dbraw/zinc/61/08/34/1074610834.db2.gz OHGGQUSDEBUWAH-UHFFFAOYSA-N 0 0 443.283 -0.119 20 30 IBEDRN C[C@@]1(c2cccc(C#N)c2)NC(=O)N(CC(=O)NC2CCN(S(C)(=O)=O)CC2)C1=O ZINC001472985055 1074611215 /nfs/dbraw/zinc/61/12/15/1074611215.db2.gz XJCITUHTYGVHHH-IBGZPJMESA-N 0 0 433.490 -0.135 20 30 IBEDRN C[C@]1(c2cccc(C#N)c2)NC(=O)N(CC(=O)NC2CCN(S(C)(=O)=O)CC2)C1=O ZINC001472985056 1074611945 /nfs/dbraw/zinc/61/19/45/1074611945.db2.gz XJCITUHTYGVHHH-LJQANCHMSA-N 0 0 433.490 -0.135 20 30 IBEDRN N#Cc1cn(CCO)c(=O)n(CC(=O)N2CCN(Cc3cccc(Cl)c3)CC2)c1=O ZINC001473059553 1074611731 /nfs/dbraw/zinc/61/17/31/1074611731.db2.gz RODZGOUQLOJVHL-UHFFFAOYSA-N 0 0 431.880 -0.128 20 30 IBEDRN Cc1ccccc1CN1CCN(C(=O)Cn2c(=O)c(C#N)c(C)n(CCO)c2=O)CC1 ZINC001473077087 1074612359 /nfs/dbraw/zinc/61/23/59/1074612359.db2.gz GVTXXPWGIOHOCK-UHFFFAOYSA-N 0 0 425.489 -0.165 20 30 IBEDRN Cc1c(C#N)c(=O)n(CC(=O)N2CCC(C(=O)N3CCC[C@H](C)C3)CC2)c(=O)n1CCO ZINC001473079144 1074612316 /nfs/dbraw/zinc/61/23/16/1074612316.db2.gz PGRSEHGWBDKHDV-HNNXBMFYSA-N 0 0 445.520 -0.321 20 30 IBEDRN Cc1c(C#N)c(=O)n(CC(=O)N2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)c(=O)n1CCO ZINC001473079145 1074612408 /nfs/dbraw/zinc/61/24/08/1074612408.db2.gz PGRSEHGWBDKHDV-OAHLLOKOSA-N 0 0 445.520 -0.321 20 30 IBEDRN C#Cc1cccc(NC(=O)NC(=O)CN2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)c1 ZINC001473384476 1074613914 /nfs/dbraw/zinc/61/39/14/1074613914.db2.gz BXJBNHSTWFZBBF-UHFFFAOYSA-N 0 0 425.449 -0.722 20 30 IBEDRN C#Cc1cccc(NC(=O)NC(=O)CN2CCN(S(=O)(=O)N=S(C)(C)=O)CC2)c1 ZINC001473471214 1074613943 /nfs/dbraw/zinc/61/39/43/1074613943.db2.gz AIIWDECOJYEPNX-UHFFFAOYSA-N 0 0 441.535 -0.094 20 30 IBEDRN N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)CN1CCN(CC(N)=O)C(=O)C1)CCCC2 ZINC001473540237 1074614926 /nfs/dbraw/zinc/61/49/26/1074614926.db2.gz YCLPIMBKKAEFKK-HNNXBMFYSA-N 0 0 442.520 -0.014 20 30 IBEDRN N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)CN1CCN(CC(N)=O)C(=O)C1)CCCC2 ZINC001473540244 1074614935 /nfs/dbraw/zinc/61/49/35/1074614935.db2.gz YCLPIMBKKAEFKK-OAHLLOKOSA-N 0 0 442.520 -0.014 20 30 IBEDRN CC(C)[C@H](C#N)N1CCN(C(=O)CN(CCNC(=O)OC(C)(C)C)C[C@@H](O)CO)CC1 ZINC001473575818 1074616105 /nfs/dbraw/zinc/61/61/05/1074616105.db2.gz KBQXUQUHDDGHJI-MSOLQXFVSA-N 0 0 441.573 -0.141 20 30 IBEDRN CC(C)[C@@H](C#N)N1CCN(C(=O)CN(CCNC(=O)OC(C)(C)C)C[C@@H](O)CO)CC1 ZINC001473575819 1074616017 /nfs/dbraw/zinc/61/60/17/1074616017.db2.gz KBQXUQUHDDGHJI-QZTJIDSGSA-N 0 0 441.573 -0.141 20 30 IBEDRN CC(C)[C@H](C#N)N1CCN(C(=O)CN(CCNC(=O)OC(C)(C)C)C[C@H](O)CO)CC1 ZINC001473575820 1074615930 /nfs/dbraw/zinc/61/59/30/1074615930.db2.gz KBQXUQUHDDGHJI-ROUUACIJSA-N 0 0 441.573 -0.141 20 30 IBEDRN CC(C)[C@@H](C#N)N1CCN(C(=O)CN(CCNC(=O)OC(C)(C)C)C[C@H](O)CO)CC1 ZINC001473575821 1074616144 /nfs/dbraw/zinc/61/61/44/1074616144.db2.gz KBQXUQUHDDGHJI-ZWKOTPCHSA-N 0 0 441.573 -0.141 20 30 IBEDRN N#C[C@@H](c1cccs1)N1CCN(C(=O)CNC2(C(N)=O)CCS(=O)(=O)CC2)CC1 ZINC001473733323 1074617607 /nfs/dbraw/zinc/61/76/07/1074617607.db2.gz FJQRPHWYCYKRSH-AWEZNQCLSA-N 0 0 439.563 -0.521 20 30 IBEDRN N#C[C@H](c1cccs1)N1CCN(C(=O)CNC2(C(N)=O)CCS(=O)(=O)CC2)CC1 ZINC001473733324 1074617493 /nfs/dbraw/zinc/61/74/93/1074617493.db2.gz FJQRPHWYCYKRSH-CQSZACIVSA-N 0 0 439.563 -0.521 20 30 IBEDRN CNS(=O)(=O)c1cc(NC(=O)CN2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)ccc1C ZINC001473850409 1074618924 /nfs/dbraw/zinc/61/89/24/1074618924.db2.gz MZOXXABNEYXZGW-SUMWQHHRSA-N 0 0 426.520 -0.288 20 30 IBEDRN CN(C)[S@](C)(=O)=NS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC001474814802 1074621315 /nfs/dbraw/zinc/62/13/15/1074621315.db2.gz IETMXKSHPWHMDZ-RUZDIDTESA-N 0 0 435.553 -0.316 20 30 IBEDRN CN(C)[S@@](C)(=O)=NS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC001474814803 1074621286 /nfs/dbraw/zinc/62/12/86/1074621286.db2.gz IETMXKSHPWHMDZ-VWLOTQADSA-N 0 0 435.553 -0.316 20 30 IBEDRN Cc1cccc(C#N)c1S(=O)(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC001474825047 1074621565 /nfs/dbraw/zinc/62/15/65/1074621565.db2.gz NSXJAXBUXKFAKS-UHFFFAOYSA-N 0 0 427.552 -0.335 20 30 IBEDRN Cc1cccc(C#N)c1S(=O)(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC001474854127 1074622761 /nfs/dbraw/zinc/62/27/61/1074622761.db2.gz RHSHMPWXYLZSSJ-HNNXBMFYSA-N 0 0 447.560 -0.310 20 30 IBEDRN Cc1cccc(C#N)c1S(=O)(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001474854128 1074622703 /nfs/dbraw/zinc/62/27/03/1074622703.db2.gz RHSHMPWXYLZSSJ-OAHLLOKOSA-N 0 0 447.560 -0.310 20 30 IBEDRN Cc1cc(C#N)cc(C)c1CS(=O)(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 ZINC001475199652 1074278498 /nfs/dbraw/zinc/27/84/98/1074278498.db2.gz RFHLIVDHWULHEY-UHFFFAOYSA-N 0 0 432.506 -0.033 20 30 IBEDRN C#CCNC(=O)CN1CCN(S(=O)(=O)c2cnn3cc(Br)cnc23)CC1 ZINC001475406165 1074628537 /nfs/dbraw/zinc/62/85/37/1074628537.db2.gz DIGNDEHKKUDPCR-UHFFFAOYSA-N 0 0 441.311 -0.453 20 30 IBEDRN CCS(=O)(=O)NCCc1ccc(S(=O)(=O)N2CCN(C(=O)CC#N)CC2)s1 ZINC001475444721 1074629103 /nfs/dbraw/zinc/62/91/03/1074629103.db2.gz SXSJRRHDDRFVMU-UHFFFAOYSA-N 0 0 434.565 -0.024 20 30 IBEDRN N#C[C@H]1CN(S(=O)(=O)N2CCN(S(=O)(=O)NCc3ccccc3)CC2)CCO1 ZINC001475466440 1074629580 /nfs/dbraw/zinc/62/95/80/1074629580.db2.gz FIMVKPIZFSTMFI-INIZCTEOSA-N 0 0 429.524 -0.892 20 30 IBEDRN N#C[C@@H]1CN(S(=O)(=O)N2CCN(S(=O)(=O)NCc3ccccc3)CC2)CCO1 ZINC001475466441 1074629554 /nfs/dbraw/zinc/62/95/54/1074629554.db2.gz FIMVKPIZFSTMFI-MRXNPFEDSA-N 0 0 429.524 -0.892 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2cc3c4c(c2)CCCN4C(=O)C3)CC1 ZINC001475620193 1074634197 /nfs/dbraw/zinc/63/41/97/1074634197.db2.gz CBQZCPXQOUMXPW-UHFFFAOYSA-N 0 0 438.531 -0.704 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NC3CC3)c2)CC1 ZINC001475620300 1074634100 /nfs/dbraw/zinc/63/41/00/1074634100.db2.gz FZWLEXPPQSBJDY-UHFFFAOYSA-N 0 0 426.520 -0.647 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(S(=O)(=O)Cc2cccc(S(C)(=O)=O)c2)CC1 ZINC001475620309 1074634253 /nfs/dbraw/zinc/63/42/53/1074634253.db2.gz GIZZNSBTDQWUOF-UHFFFAOYSA-N 0 0 435.549 -0.995 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(CC(=O)OC)c(F)c2)CC1 ZINC001475620361 1074634082 /nfs/dbraw/zinc/63/40/82/1074634082.db2.gz HEYNRNXNJHDBAG-UHFFFAOYSA-N 0 0 433.483 -0.685 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)CC1 ZINC001475620477 1074634227 /nfs/dbraw/zinc/63/42/27/1074634227.db2.gz KJFKMPJHXNEIRJ-UHFFFAOYSA-N 0 0 430.483 -0.516 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2cc(C)cc(S(C)(=O)=O)c2C)CC1 ZINC001475620870 1074634210 /nfs/dbraw/zinc/63/42/10/1074634210.db2.gz TYADWBKUKKDEPY-UHFFFAOYSA-N 0 0 449.576 -0.519 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2cc(C(=O)OC)cc(F)c2C)CC1 ZINC001475623113 1074634166 /nfs/dbraw/zinc/63/41/66/1074634166.db2.gz REUHPNNLBAUJJC-UHFFFAOYSA-N 0 0 433.483 -0.305 20 30 IBEDRN CN(c1cccc(C#N)c1)[C@H]1CCN(S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)C1 ZINC001475654437 1074635209 /nfs/dbraw/zinc/63/52/09/1074635209.db2.gz QXYXPXLXOCTRFK-KRWDZBQOSA-N 0 0 427.552 -0.109 20 30 IBEDRN CN(c1cccc(C#N)c1)[C@@H]1CCN(S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)C1 ZINC001475654438 1074635069 /nfs/dbraw/zinc/63/50/69/1074635069.db2.gz QXYXPXLXOCTRFK-QGZVFWFLSA-N 0 0 427.552 -0.109 20 30 IBEDRN CC(C)(C)OC(=O)N1CCN(S(=O)(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)CC1 ZINC001475716250 1074636368 /nfs/dbraw/zinc/63/63/68/1074636368.db2.gz DFYQDJAXVXEVSX-BBRMVZONSA-N 0 0 434.540 -0.346 20 30 IBEDRN COc1cc2c(cc1S(=O)(=O)N1C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C1)C(=O)NCCC2 ZINC001475744897 1074636909 /nfs/dbraw/zinc/63/69/09/1074636909.db2.gz IMWPKKSLLURNEF-SCLBCKFNSA-N 0 0 439.515 -0.070 20 30 IBEDRN COc1ccc(S(=O)(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1C(=O)N(C)C ZINC001475745009 1074636887 /nfs/dbraw/zinc/63/68/87/1074636887.db2.gz KDSXFMDJVWULDV-YVEFUNNKSA-N 0 0 427.504 -0.044 20 30 IBEDRN CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 ZINC001475745407 1074637487 /nfs/dbraw/zinc/63/74/87/1074637487.db2.gz QYXXWGPDBCVFDP-SWLSCSKDSA-N 0 0 433.533 -0.504 20 30 IBEDRN CC(C)(C)OC(=O)N1CCO[C@H](CS(=O)(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)C1 ZINC001475745971 1074637436 /nfs/dbraw/zinc/63/74/36/1074637436.db2.gz ZROMJQAYNOIFRE-GRDNDAEWSA-N 0 0 449.551 -0.178 20 30 IBEDRN CC(C)(C)OC(=O)N1CCO[C@@H](CS(=O)(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)C1 ZINC001475745972 1074637453 /nfs/dbraw/zinc/63/74/53/1074637453.db2.gz ZROMJQAYNOIFRE-JJRVBVJISA-N 0 0 449.551 -0.178 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(C(=O)N3CCOCC3)c2)CC1 ZINC001475975393 1074639691 /nfs/dbraw/zinc/63/96/91/1074639691.db2.gz NLMOTHYPMRIIFH-UHFFFAOYSA-N 0 0 435.506 -0.224 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(CN3CCC[C@@H]3C(N)=O)c2)CC1 ZINC001476048164 1074640341 /nfs/dbraw/zinc/64/03/41/1074640341.db2.gz COHGQMNXDQRYAE-GOSISDBHSA-N 0 0 448.549 -0.247 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(CN3CCC[C@H]3C(N)=O)c2)CC1 ZINC001476048165 1074640344 /nfs/dbraw/zinc/64/03/44/1074640344.db2.gz COHGQMNXDQRYAE-SFHVURJKSA-N 0 0 448.549 -0.247 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2F)CC1 ZINC001476188616 1074640839 /nfs/dbraw/zinc/64/08/39/1074640839.db2.gz POXCSCKVLYELFN-UHFFFAOYSA-N 0 0 447.514 -0.307 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(S(=O)(=O)[C@@H](C)C#N)cc2)CC1 ZINC001476413504 1074641906 /nfs/dbraw/zinc/64/19/06/1074641906.db2.gz QFZLOKMWALBDLM-AWEZNQCLSA-N 0 0 439.519 -0.011 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(S(=O)(=O)[C@H](C)C#N)cc2)CC1 ZINC001476413505 1074641836 /nfs/dbraw/zinc/64/18/36/1074641836.db2.gz QFZLOKMWALBDLM-CQSZACIVSA-N 0 0 439.519 -0.011 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(N3C(=O)CNC3=O)c2C)CC1 ZINC001476717761 1074642381 /nfs/dbraw/zinc/64/23/81/1074642381.db2.gz FQANHFNAYRFICR-UHFFFAOYSA-N 0 0 434.478 -0.332 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(OC)c(S(C)(=O)=O)c2)CC1 ZINC001476748853 1074642345 /nfs/dbraw/zinc/64/23/45/1074642345.db2.gz SEGBOLNBPIIFGZ-UHFFFAOYSA-N 0 0 430.508 -0.284 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc([C@]3(C)NC(=O)N(C)C3=O)cc2)CC1 ZINC001476801353 1074642370 /nfs/dbraw/zinc/64/23/70/1074642370.db2.gz ORHAIHCLTQKVRO-IBGZPJMESA-N 0 0 448.505 -0.300 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc([C@@]3(C)NC(=O)N(C)C3=O)cc2)CC1 ZINC001476801354 1074642376 /nfs/dbraw/zinc/64/23/76/1074642376.db2.gz ORHAIHCLTQKVRO-LJQANCHMSA-N 0 0 448.505 -0.300 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)NCCN2CCN(c3ccccc3)CC2)CC1 ZINC001477271955 1074643977 /nfs/dbraw/zinc/64/39/77/1074643977.db2.gz FBOZCZLZZUKIGD-UHFFFAOYSA-N 0 0 434.566 -0.397 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](CN2CCOCC2)c2ccccc2)CC1 ZINC001477489221 1074644936 /nfs/dbraw/zinc/64/49/36/1074644936.db2.gz AQXRKDDLRMGAOL-IBGZPJMESA-N 0 0 435.550 -0.145 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](CN2CCOCC2)c2ccccc2)CC1 ZINC001477489227 1074645064 /nfs/dbraw/zinc/64/50/64/1074645064.db2.gz AQXRKDDLRMGAOL-LJQANCHMSA-N 0 0 435.550 -0.145 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC001477512964 1074645292 /nfs/dbraw/zinc/64/52/92/1074645292.db2.gz SXYUJUQZQZBSEX-UHFFFAOYSA-N 0 0 439.513 -0.043 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc(N(C)S(C)(=O)=O)cc2)CC1 ZINC001477800240 1074647062 /nfs/dbraw/zinc/64/70/62/1074647062.db2.gz OTFCYCUONBAEPO-UHFFFAOYSA-N 0 0 443.551 -0.623 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)CC1 ZINC001477841351 1074648222 /nfs/dbraw/zinc/64/82/22/1074648222.db2.gz WVVVEVLWNZFROA-HNNXBMFYSA-N 0 0 434.522 -0.841 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)CC1 ZINC001477841352 1074648102 /nfs/dbraw/zinc/64/81/02/1074648102.db2.gz WVVVEVLWNZFROA-OAHLLOKOSA-N 0 0 434.522 -0.841 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2CCCN(Cc3ccccn3)C2=O)CC1 ZINC001478294354 1074650833 /nfs/dbraw/zinc/65/08/33/1074650833.db2.gz DRCMDKCNIIZLQG-KRWDZBQOSA-N 0 0 434.522 -0.633 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2CCCN(Cc3ccccn3)C2=O)CC1 ZINC001478294355 1074650820 /nfs/dbraw/zinc/65/08/20/1074650820.db2.gz DRCMDKCNIIZLQG-QGZVFWFLSA-N 0 0 434.522 -0.633 20 30 IBEDRN C#CC1(O)CN(C(=O)NCCOc2ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc2)C1 ZINC001478303901 1074650836 /nfs/dbraw/zinc/65/08/36/1074650836.db2.gz BKKYVPMQPGZHOA-UHFFFAOYSA-N 0 0 431.492 -0.820 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@H]2CC(=O)N(Cc3ccccc3)C2)CC1 ZINC001478372130 1074650830 /nfs/dbraw/zinc/65/08/30/1074650830.db2.gz NZXBMEISHFSCTL-GOSISDBHSA-N 0 0 433.534 -0.170 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@@H]2CC(=O)N(Cc3ccccc3)C2)CC1 ZINC001478372131 1074650832 /nfs/dbraw/zinc/65/08/32/1074650832.db2.gz NZXBMEISHFSCTL-SFHVURJKSA-N 0 0 433.534 -0.170 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2CC(=O)N(c3ccc(OC)cc3)C2)CC1 ZINC001478947334 1074656144 /nfs/dbraw/zinc/65/61/44/1074656144.db2.gz AMWZYLXGLJWWMV-HNNXBMFYSA-N 0 0 435.506 -0.405 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)CC1 ZINC001478947335 1074656197 /nfs/dbraw/zinc/65/61/97/1074656197.db2.gz AMWZYLXGLJWWMV-OAHLLOKOSA-N 0 0 435.506 -0.405 20 30 IBEDRN CNS(=O)(=O)c1ccc(CCNC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1 ZINC001479129328 1074658496 /nfs/dbraw/zinc/65/84/96/1074658496.db2.gz UFDGSKZFBFEYBW-YOEHRIQHSA-N 0 0 426.520 -0.283 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)NCc2cccc(N(C)S(C)(=O)=O)c2)CC1 ZINC001479543007 1074663302 /nfs/dbraw/zinc/66/33/02/1074663302.db2.gz CKSFLRISLAPTSS-UHFFFAOYSA-N 0 0 443.551 -0.623 20 30 IBEDRN Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCN1CCCS1(=O)=O ZINC001492911555 1074409960 /nfs/dbraw/zinc/40/99/60/1074409960.db2.gz KOJBQGSYIUEOQD-AWEZNQCLSA-N 0 0 431.526 -0.001 20 30 IBEDRN Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCN1CCCS1(=O)=O ZINC001492911556 1074409987 /nfs/dbraw/zinc/40/99/87/1074409987.db2.gz KOJBQGSYIUEOQD-CQSZACIVSA-N 0 0 431.526 -0.001 20 30 IBEDRN CCc1nnc(N2CCN(CC(=O)N(C)C)CC2)n1CCNC(=O)C1N=CC=CC1=O ZINC001499170397 1074674400 /nfs/dbraw/zinc/67/44/00/1074674400.db2.gz REXYOTYCCSJYRQ-HNENSFHCSA-N 0 0 430.513 -0.423 20 30 IBEDRN CCc1nnc(N2CCN(CC(=O)N(C)C)CC2)n1CCNC(=O)C1N=CC=CC1=O ZINC001499170398 1074674515 /nfs/dbraw/zinc/67/45/15/1074674515.db2.gz REXYOTYCCSJYRQ-VHEBQXMUSA-N 0 0 430.513 -0.423 20 30 IBEDRN CCN(C)C(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 ZINC001501421946 1074681809 /nfs/dbraw/zinc/68/18/09/1074681809.db2.gz YZTRVYSHUAKWOB-GDBMZVCRSA-N 0 0 435.554 -0.165 20 30 IBEDRN CCN(C)C(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 ZINC001501421947 1074681886 /nfs/dbraw/zinc/68/18/86/1074681886.db2.gz YZTRVYSHUAKWOB-GOEBONIOSA-N 0 0 435.554 -0.165 20 30 IBEDRN CCN(C)C(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 ZINC001501421948 1074681896 /nfs/dbraw/zinc/68/18/96/1074681896.db2.gz YZTRVYSHUAKWOB-HOCLYGCPSA-N 0 0 435.554 -0.165 20 30 IBEDRN CCN(C)C(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 ZINC001501421949 1074681864 /nfs/dbraw/zinc/68/18/64/1074681864.db2.gz YZTRVYSHUAKWOB-ZBFHGGJFSA-N 0 0 435.554 -0.165 20 30 IBEDRN CCOCc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC1(O)CCS(=O)(=O)CC1 ZINC001503109382 1074699480 /nfs/dbraw/zinc/69/94/80/1074699480.db2.gz NCCYEICKNLOIRQ-INIZCTEOSA-N 0 0 438.554 -0.069 20 30 IBEDRN CCOCc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC1(O)CCS(=O)(=O)CC1 ZINC001503109390 1074699605 /nfs/dbraw/zinc/69/96/05/1074699605.db2.gz NCCYEICKNLOIRQ-MRXNPFEDSA-N 0 0 438.554 -0.069 20 30 IBEDRN CCOCc1nnc(N2CCO[C@@H](C#N)C2)n1CCS(=O)(=O)N1CCSCC1 ZINC001503117871 1074699871 /nfs/dbraw/zinc/69/98/71/1074699871.db2.gz KHPHKXXHVCUVKY-AWEZNQCLSA-N 0 0 430.556 -0.078 20 30 IBEDRN CCOCc1nnc(N2CCO[C@H](C#N)C2)n1CCS(=O)(=O)N1CCSCC1 ZINC001503117884 1074699923 /nfs/dbraw/zinc/69/99/23/1074699923.db2.gz KHPHKXXHVCUVKY-CQSZACIVSA-N 0 0 430.556 -0.078 20 30 IBEDRN CN(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)NC[C@H]2C1 ZINC001503406415 1074707767 /nfs/dbraw/zinc/70/77/67/1074707767.db2.gz IYKIXKKEECMDHA-INIZCTEOSA-N 0 0 444.521 -0.078 20 30 IBEDRN CN(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 ZINC001503406416 1074707754 /nfs/dbraw/zinc/70/77/54/1074707754.db2.gz IYKIXKKEECMDHA-MRXNPFEDSA-N 0 0 444.521 -0.078 20 30 IBEDRN CN(C)S(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 ZINC001503410416 1074708903 /nfs/dbraw/zinc/70/89/03/1074708903.db2.gz ZJWCDICOKKKYQR-CABCVRRESA-N 0 0 436.542 -0.703 20 30 IBEDRN CN(C)S(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 ZINC001503410422 1074708737 /nfs/dbraw/zinc/70/87/37/1074708737.db2.gz ZJWCDICOKKKYQR-GJZGRUSLSA-N 0 0 436.542 -0.703 20 30 IBEDRN CN(C)S(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 ZINC001503410425 1074708772 /nfs/dbraw/zinc/70/87/72/1074708772.db2.gz ZJWCDICOKKKYQR-HUUCEWRRSA-N 0 0 436.542 -0.703 20 30 IBEDRN CN(C)S(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 ZINC001503410428 1074708891 /nfs/dbraw/zinc/70/88/91/1074708891.db2.gz ZJWCDICOKKKYQR-LSDHHAIUSA-N 0 0 436.542 -0.703 20 30 IBEDRN CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1=O ZINC001503681301 1074714783 /nfs/dbraw/zinc/71/47/83/1074714783.db2.gz LWXYZASSNXZVJH-IBGZPJMESA-N 0 0 430.490 -0.355 20 30 IBEDRN CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1=O ZINC001503681304 1074714771 /nfs/dbraw/zinc/71/47/71/1074714771.db2.gz LWXYZASSNXZVJH-LJQANCHMSA-N 0 0 430.490 -0.355 20 30 IBEDRN CNC(=O)C(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C#N ZINC001503696458 1074715501 /nfs/dbraw/zinc/71/55/01/1074715501.db2.gz PSHXJGVAFUCFSB-KBPBESRZSA-N 0 0 441.558 -0.021 20 30 IBEDRN CNC(=O)C(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N ZINC001503696459 1074715560 /nfs/dbraw/zinc/71/55/60/1074715560.db2.gz PSHXJGVAFUCFSB-KGLIPLIRSA-N 0 0 441.558 -0.021 20 30 IBEDRN CNC(=O)C(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C#N ZINC001503696460 1074715525 /nfs/dbraw/zinc/71/55/25/1074715525.db2.gz PSHXJGVAFUCFSB-UONOGXRCSA-N 0 0 441.558 -0.021 20 30 IBEDRN CNC(=O)C(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N ZINC001503696461 1074715568 /nfs/dbraw/zinc/71/55/68/1074715568.db2.gz PSHXJGVAFUCFSB-ZIAGYGMSSA-N 0 0 441.558 -0.021 20 30 IBEDRN CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N(C)C)CCO1 ZINC001503782073 1074720954 /nfs/dbraw/zinc/72/09/54/1074720954.db2.gz KUUHZYSUWRCYJR-INIZCTEOSA-N 0 0 427.465 -0.232 20 30 IBEDRN CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N(C)C)CCO1 ZINC001503782079 1074720804 /nfs/dbraw/zinc/72/08/04/1074720804.db2.gz KUUHZYSUWRCYJR-MRXNPFEDSA-N 0 0 427.465 -0.232 20 30 IBEDRN CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCS(C)(=O)=O)CCO1 ZINC001503782692 1074720912 /nfs/dbraw/zinc/72/09/12/1074720912.db2.gz NHYMKAZMPVIICM-INIZCTEOSA-N 0 0 448.505 -0.275 20 30 IBEDRN CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCS(C)(=O)=O)CCO1 ZINC001503782696 1074720780 /nfs/dbraw/zinc/72/07/80/1074720780.db2.gz NHYMKAZMPVIICM-MRXNPFEDSA-N 0 0 448.505 -0.275 20 30 IBEDRN CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCS(=O)(=O)N(C)C ZINC001545928796 1074421036 /nfs/dbraw/zinc/42/10/36/1074421036.db2.gz JZELXWQUMIEISW-AWEZNQCLSA-N 0 0 427.531 -0.183 20 30 IBEDRN CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCS(=O)(=O)N(C)C ZINC001545928797 1074420862 /nfs/dbraw/zinc/42/08/62/1074420862.db2.gz JZELXWQUMIEISW-CQSZACIVSA-N 0 0 427.531 -0.183 20 30 IBEDRN C#CCNC(=O)C1CCN(C(=O)CNS(=O)(=O)c2cccc(S(C)(=O)=O)c2)CC1 ZINC001626033118 1073082667 /nfs/dbraw/zinc/08/26/67/1073082667.db2.gz XKUZQCZGAOXJMG-UHFFFAOYSA-N 0 0 441.531 -0.644 20 30 IBEDRN C=CCN1CC[C@H](N(C)C(=O)c2cc(S(=O)(=O)NCC(N)=O)ccc2Cl)C1=O ZINC001626245965 1070848461 /nfs/dbraw/zinc/84/84/61/1070848461.db2.gz FGIYTGCIBJPNEK-AWEZNQCLSA-N 0 0 428.898 -0.038 20 30 IBEDRN C=CCN1CC[C@@H](N(C)C(=O)c2cc(S(=O)(=O)NCC(N)=O)ccc2Cl)C1=O ZINC001626245966 1070848493 /nfs/dbraw/zinc/84/84/93/1070848493.db2.gz FGIYTGCIBJPNEK-CQSZACIVSA-N 0 0 428.898 -0.038 20 30 IBEDRN C#C[C@H]1COCCN1C(=O)C1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC001648842830 1070890325 /nfs/dbraw/zinc/89/03/25/1070890325.db2.gz XQIHGQHVNGSACL-HNNXBMFYSA-N 0 0 441.531 -0.405 20 30 IBEDRN C#C[C@@H]1COCCN1C(=O)C1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC001648842831 1070890644 /nfs/dbraw/zinc/89/06/44/1070890644.db2.gz XQIHGQHVNGSACL-OAHLLOKOSA-N 0 0 441.531 -0.405 20 30 IBEDRN O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@]12COCCN1C(=O)COC2 ZINC001648919538 1071147930 /nfs/dbraw/zinc/14/79/30/1071147930.db2.gz GGFFRVFNJHFCHH-IBGZPJMESA-N 0 0 436.490 -0.751 20 30 IBEDRN O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@]12COCCN1C(=O)COC2 ZINC001648919539 1071148028 /nfs/dbraw/zinc/14/80/28/1071148028.db2.gz GGFFRVFNJHFCHH-LJQANCHMSA-N 0 0 436.490 -0.751 20 30 IBEDRN COC(=O)[C@]1(N2CCN(C(=O)CNS(=O)(=O)c3cccc(C#N)c3)CC2)CCOC1 ZINC001648926659 1071349885 /nfs/dbraw/zinc/34/98/85/1071349885.db2.gz QBKBUYCWFQQRTR-IBGZPJMESA-N 0 0 436.490 -0.687 20 30 IBEDRN COC(=O)[C@@]1(N2CCN(C(=O)CNS(=O)(=O)c3cccc(C#N)c3)CC2)CCOC1 ZINC001648926660 1071350012 /nfs/dbraw/zinc/35/00/12/1071350012.db2.gz QBKBUYCWFQQRTR-LJQANCHMSA-N 0 0 436.490 -0.687 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)Cn2ncc3ccccc3c2=O)CC1 ZINC001670693614 1070935802 /nfs/dbraw/zinc/93/58/02/1070935802.db2.gz OUJIQYSWPHFYTK-HNNXBMFYSA-N 0 0 432.506 -0.420 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)Cn2ncc3ccccc3c2=O)CC1 ZINC001670693615 1070935921 /nfs/dbraw/zinc/93/59/21/1070935921.db2.gz OUJIQYSWPHFYTK-OAHLLOKOSA-N 0 0 432.506 -0.420 20 30 IBEDRN CN(CCNC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)S(=O)(=O)c1cccs1 ZINC001670753592 1071121778 /nfs/dbraw/zinc/12/17/78/1071121778.db2.gz VJLFONILSGJRFV-WFASDCNBSA-N 0 0 432.549 -0.052 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)Nc2nn(CCS(=O)(=O)CC)cc2C)CC1 ZINC001670830568 1072885447 /nfs/dbraw/zinc/88/54/47/1072885447.db2.gz CUBRHSYCFJWRDL-UHFFFAOYSA-N 0 0 446.555 -0.757 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc3c(c2)CCN3C(=O)COC)CC1 ZINC001671003235 1073125432 /nfs/dbraw/zinc/12/54/32/1073125432.db2.gz RFLYPLMYKKCHGQ-UHFFFAOYSA-N 0 0 435.506 -0.161 20 30 IBEDRN C#CCNS(=O)(=O)N1CCN(C(=O)NCC2(n3cc(Br)cn3)CC2)CC1 ZINC001687530573 1074276975 /nfs/dbraw/zinc/27/69/75/1074276975.db2.gz ZBAFJFCERGGUOD-UHFFFAOYSA-N 0 0 445.343 -0.071 20 30 IBEDRN C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(O)CCO[C@@H]1C ZINC001691004367 1070850599 /nfs/dbraw/zinc/85/05/99/1070850599.db2.gz RGDCZRBCOCZVJZ-BSXFFOKHSA-N 0 0 442.542 -0.253 20 30 IBEDRN C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(O)CCO[C@H]1C ZINC001691004374 1070850490 /nfs/dbraw/zinc/85/04/90/1070850490.db2.gz RGDCZRBCOCZVJZ-LDDOYCOJSA-N 0 0 442.542 -0.253 20 30 IBEDRN C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(O)CCO[C@H]1C ZINC001691004376 1070850626 /nfs/dbraw/zinc/85/06/26/1070850626.db2.gz RGDCZRBCOCZVJZ-LLDVTBCESA-N 0 0 442.542 -0.253 20 30 IBEDRN C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(O)CCO[C@@H]1C ZINC001691004378 1070851062 /nfs/dbraw/zinc/85/10/62/1070851062.db2.gz RGDCZRBCOCZVJZ-ZXFNITATSA-N 0 0 442.542 -0.253 20 30 IBEDRN