smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1oc(-c2ccccc2F)nc1C([O-])=C(C#N)C(=O)Nc1cccc(C)c1 ZINC000121686270 823230496 /nfs/dbraw/zinc/23/04/96/823230496.db2.gz IMKQPCMVZIYXGF-INIZCTEOSA-N -1 3 377.375 4.059 20 30 GIEDHM CCc1ccc(NC(=O)C(C#N)=C([O-])c2nc(-c3ccccc3F)oc2C)cc1 ZINC000121709787 823235162 /nfs/dbraw/zinc/23/51/62/823235162.db2.gz RQMFBZQTQXIYOC-KRWDZBQOSA-N -1 3 391.402 4.313 20 30 GIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000015760668 818366621 /nfs/dbraw/zinc/36/66/21/818366621.db2.gz AWVASUNSIFMWIO-UHFFFAOYSA-N -1 3 383.451 4.006 20 30 GIEDHM C=CCn1c(S[C@@H](C)c2nc(C)cc(=O)[n-]2)nnc1-c1cccc(Cl)c1 ZINC000122543039 823370019 /nfs/dbraw/zinc/37/00/19/823370019.db2.gz VQHUYDHUUOJJKK-LBPRGKRZSA-N -1 3 387.896 4.442 20 30 GIEDHM O=C(c1ccc(C/N=C/c2cc(Br)ccc2[O-])cc1)N1CCCC1 ZINC000025197829 819942149 /nfs/dbraw/zinc/94/21/49/819942149.db2.gz IDHCBAMZTYKUGU-FYJGNVAPSA-N -1 3 387.277 4.010 20 30 GIEDHM N#Cc1cccc(CSc2nc3c(cnn3-c3cccc(Cl)c3)c(=O)[n-]2)c1 ZINC000026429632 820095586 /nfs/dbraw/zinc/09/55/86/820095586.db2.gz IJZKRUHNLKIWJP-UHFFFAOYSA-N -1 3 393.859 4.338 20 30 GIEDHM Cc1nsc([N-]C(=O)c2occc2CN2c3ccccc3C[C@@H]2C)c1C#N ZINC000410811856 823515752 /nfs/dbraw/zinc/51/57/52/823515752.db2.gz MHIGWHRCOFMOKP-LBPRGKRZSA-N -1 3 378.457 4.120 20 30 GIEDHM C[C@@H]1Cc2c(C#N)c([N-]C(=O)c3csc(-c4cnccn4)n3)sc2[C@@H](C)C1 ZINC000410979138 823527598 /nfs/dbraw/zinc/52/75/98/823527598.db2.gz MCMQLLTXMRXJGH-QWRGUYRKSA-N -1 3 395.513 4.471 20 30 GIEDHM COc1ccc([N+](=O)[O-])c(C(=O)[N-]c2sc3c(c2C#N)[C@H](C)C[C@@H](C)C3)c1 ZINC000411011014 823533089 /nfs/dbraw/zinc/53/30/89/823533089.db2.gz LKPCUEWTHSOKLV-GHMZBOCLSA-N -1 3 385.445 4.475 20 30 GIEDHM COc1ccc([N+](=O)[O-])c(C(=O)[N-]c2sc3c(c2C#N)[C@@H](C)C[C@@H](C)C3)c1 ZINC000411011019 823533112 /nfs/dbraw/zinc/53/31/12/823533112.db2.gz LKPCUEWTHSOKLV-MNOVXSKESA-N -1 3 385.445 4.475 20 30 GIEDHM COc1cccc(C(=O)[N-]c2sc3c(c2C#N)[C@H](C)C[C@@H](C)C3)c1[N+](=O)[O-] ZINC000411022385 823534916 /nfs/dbraw/zinc/53/49/16/823534916.db2.gz XOUALIPVPHOJTO-GHMZBOCLSA-N -1 3 385.445 4.475 20 30 GIEDHM COc1cccc(C(=O)[N-]c2sc3c(c2C#N)[C@@H](C)C[C@@H](C)C3)c1[N+](=O)[O-] ZINC000411022386 823535131 /nfs/dbraw/zinc/53/51/31/823535131.db2.gz XOUALIPVPHOJTO-MNOVXSKESA-N -1 3 385.445 4.475 20 30 GIEDHM N#CC(=C([O-])c1cncc(Br)c1)c1nc2ccccc2n1C(F)F ZINC000041558882 821210443 /nfs/dbraw/zinc/21/04/43/821210443.db2.gz JWYNGANULYJSGJ-NSHDSACASA-N -1 3 391.175 4.079 20 30 GIEDHM COc1ccc([C@H]([N-]C(=O)c2cc(F)c(F)c(F)c2F)C(F)(F)F)cc1 ZINC000182619512 822325651 /nfs/dbraw/zinc/32/56/51/822325651.db2.gz TUMUNKOXKCUFBT-AWEZNQCLSA-N -1 3 381.247 4.285 20 30 GIEDHM Cc1ccc2oc(C([O-])=C(C#N)C(=O)Nc3ccc(Cl)cc3Cl)cc2n1 ZINC000179616381 822513553 /nfs/dbraw/zinc/51/35/53/822513553.db2.gz KHMVLAHBLIDOAH-LLVKDONJSA-N -1 3 388.210 4.404 20 30 GIEDHM CN(C)[C@H](C/N=C/c1cc([N+](=O)[O-])ccc1[O-])c1cccc(C(F)(F)F)c1 ZINC000183872794 822538988 /nfs/dbraw/zinc/53/89/88/822538988.db2.gz YVXTXYBVSUALKP-YJCKXXIQSA-N -1 3 381.354 4.041 20 30 GIEDHM CC[C@@H](C)Oc1cc(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)ccn1 ZINC000179901663 822573753 /nfs/dbraw/zinc/57/37/53/822573753.db2.gz BMJRIDIPFBNBPT-OCCSQVGLSA-N -1 3 384.386 4.494 20 30 GIEDHM CC(C)Oc1cncc(C([O-])=C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)c1 ZINC000179982067 822590122 /nfs/dbraw/zinc/59/01/22/822590122.db2.gz ATTCLOCKYGGJLI-INIZCTEOSA-N -1 3 392.242 4.137 20 30 GIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Oc1ccccc1SC(F)(F)F ZINC000052023407 822788024 /nfs/dbraw/zinc/78/80/24/822788024.db2.gz YQDOVEHCZAOKFS-UHFFFAOYSA-N -1 3 396.390 4.014 20 30 GIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)[C@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000175709933 823024933 /nfs/dbraw/zinc/02/49/33/823024933.db2.gz HHKGMBPIJIHKIM-XJKSGUPXSA-N -1 3 399.922 4.100 20 30 GIEDHM CCOc1c(Cl)cc(C([O-])=C(C#N)c2cnc3ccccc3n2)cc1OC ZINC000190896247 823621138 /nfs/dbraw/zinc/62/11/38/823621138.db2.gz BYKQJOCQGMUQTI-ZDUSSCGKSA-N -1 3 381.819 4.181 20 30 GIEDHM N#CC(C(=O)Nc1ccccn1)=C([O-])C=Cc1cc(C(F)(F)F)ccc1Cl ZINC000125101999 823651781 /nfs/dbraw/zinc/65/17/81/823651781.db2.gz HNISUIGNPKWWCM-WXJAXGNASA-N -1 3 393.752 4.115 20 30 GIEDHM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2cccc(OC(C)C)n2)cc1 ZINC000167803201 823895886 /nfs/dbraw/zinc/89/58/86/823895886.db2.gz PSVARHLZLIEKCT-GOSISDBHSA-N -1 3 379.460 4.173 20 30 GIEDHM CCc1ccc(NC(=O)C(C#N)=C([O-])c2ccnc(OCc3ccccc3)c2)cc1 ZINC000121303031 823159273 /nfs/dbraw/zinc/15/92/73/823159273.db2.gz OCSZZLRCIKEKKV-NRFANRHFSA-N -1 3 399.450 4.184 20 30 GIEDHM CCOC(=O)c1sc([N-]C(=O)c2ccc(Br)s2)c(C#N)c1C ZINC000005145212 817554460 /nfs/dbraw/zinc/55/44/60/817554460.db2.gz REBPQVYUDPQEIA-UHFFFAOYSA-N -1 3 399.291 4.181 20 30 GIEDHM CC(C)OCCS(=O)(=O)[N-]c1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 ZINC000177539540 823485946 /nfs/dbraw/zinc/48/59/46/823485946.db2.gz ZKDDCKUJEVMUFZ-GOSISDBHSA-N -1 3 392.908 4.162 20 30 GIEDHM COc1ccc([N+](=O)[O-])c(C(=O)[N-]c2sc3c(c2C#N)C[C@@H](C)C[C@@H]3C)c1 ZINC000410984009 823528532 /nfs/dbraw/zinc/52/85/32/823528532.db2.gz QKOCIBLWALWKND-QWRGUYRKSA-N -1 3 385.445 4.475 20 30 GIEDHM C=CCOc1ccc(CN(Cc2nc(=O)c3sccc3[n-]2)C(C)(C)C)cc1 ZINC000177849009 823535987 /nfs/dbraw/zinc/53/59/87/823535987.db2.gz CKQABCNGPNUHOE-UHFFFAOYSA-N -1 3 383.517 4.350 20 30 GIEDHM N#CC(=C([O-])c1cn(Cc2ccccc2)nc1-c1ccccc1)c1ccccn1 ZINC000041493430 821197402 /nfs/dbraw/zinc/19/74/02/821197402.db2.gz OOPHUELPHHXGEL-FQEVSTJZSA-N -1 3 378.435 4.483 20 30 GIEDHM N#CC(=C([O-])c1cncc(Br)c1)c1nc2ccccc2n1C(F)F ZINC000041558884 821210547 /nfs/dbraw/zinc/21/05/47/821210547.db2.gz JWYNGANULYJSGJ-LLVKDONJSA-N -1 3 391.175 4.079 20 30 GIEDHM Cc1cccc([C@H](NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C(C)(C)C)c1 ZINC000178065626 822306638 /nfs/dbraw/zinc/30/66/38/822306638.db2.gz XGMOQSLDEUCPEZ-NRFANRHFSA-N -1 3 379.504 4.008 20 30 GIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N([C@@H](C)c1ccc(Cl)cc1)C1CC1 ZINC000045397541 822383573 /nfs/dbraw/zinc/38/35/73/822383573.db2.gz OFSMCHKNBCXKLP-HNNXBMFYSA-N -1 3 397.906 4.202 20 30 GIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000046151072 822444638 /nfs/dbraw/zinc/44/46/38/822444638.db2.gz XIDAGFIXGHPEEK-FQEVSTJZSA-N -1 3 397.494 4.229 20 30 GIEDHM Cc1ccc2oc(C([O-])=C(C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)cc2n1 ZINC000179617409 822513781 /nfs/dbraw/zinc/51/37/81/822513781.db2.gz RMSVWBAVVDAOAF-CYBMUJFWSA-N -1 3 388.210 4.404 20 30 GIEDHM CC[C@@H](C)Oc1cc(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)ccn1 ZINC000179901628 822573788 /nfs/dbraw/zinc/57/37/88/822573788.db2.gz BMJRIDIPFBNBPT-TZMCWYRMSA-N -1 3 384.386 4.494 20 30 GIEDHM CC[C@@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2cncc(OC(C)C)c2)cc1 ZINC000179982724 822590308 /nfs/dbraw/zinc/59/03/08/822590308.db2.gz YTSYZWNZLONTJQ-FOIQADDNSA-N -1 3 379.460 4.343 20 30 GIEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1cc(Cl)cc(C(F)(F)F)c1 ZINC000123853838 823546011 /nfs/dbraw/zinc/54/60/11/823546011.db2.gz QRLORAYWOIIZDM-CYBMUJFWSA-N -1 3 396.752 4.329 20 30 GIEDHM CC(C)(C)[C@@H]1CCc2sc(C([O-])=C(C#N)C(=O)Nc3ccccn3)cc2C1 ZINC000125108499 823652174 /nfs/dbraw/zinc/65/21/74/823652174.db2.gz QDMYHSDINXHIRT-CABCVRRESA-N -1 3 381.501 4.255 20 30 GIEDHM N#CC(C(=O)Nc1ccccn1)=C([O-])C=Cc1ccc(-c2ccc(F)cc2)s1 ZINC000125177257 823656928 /nfs/dbraw/zinc/65/69/28/823656928.db2.gz GYJHLXWPTTZVSQ-VMSUTVGLSA-N -1 3 391.427 4.310 20 30 GIEDHM COc1cc(C#N)ccc1OCCCC(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000125300013 823666040 /nfs/dbraw/zinc/66/60/40/823666040.db2.gz OSQSZUBGEGFLOT-UHFFFAOYSA-N -1 3 394.349 4.089 20 30 GIEDHM C=CCn1c(SCc2cc(=O)[n-]c(C3CC3)n2)nnc1-c1cccc(C)c1 ZINC000412987908 823698248 /nfs/dbraw/zinc/69/82/48/823698248.db2.gz ZWCIFOBFTTXDOF-UHFFFAOYSA-N -1 3 379.489 4.105 20 30 GIEDHM C=CCn1c(SCc2cc(=O)[n-]c(C3CC3)n2)nnc1-c1ccccc1C ZINC000412999513 823699195 /nfs/dbraw/zinc/69/91/95/823699195.db2.gz LMXIEDNKUVPOSK-UHFFFAOYSA-N -1 3 379.489 4.105 20 30 GIEDHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1ccc(N2CCc3ccccc3C2)cc1 ZINC000064025100 823735600 /nfs/dbraw/zinc/73/56/00/823735600.db2.gz DNGRDXRXSLCMQK-UHFFFAOYSA-N -1 3 385.427 4.264 20 30 GIEDHM CC[C@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2cccc(OC(C)C)n2)cc1 ZINC000168062017 823900288 /nfs/dbraw/zinc/90/02/88/823900288.db2.gz SMJUPIKGISLSCL-MAUKXSAKSA-N -1 3 379.460 4.343 20 30 GIEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2ccc(-c3ccccc3F)o2)c1 ZINC000127066978 824010536 /nfs/dbraw/zinc/01/05/36/824010536.db2.gz ORCCJPSWDVNSRC-INIZCTEOSA-N -1 3 378.359 4.055 20 30 GIEDHM N#CC(C(=O)Nc1ccc(Cl)cc1Cl)=C([O-])c1ccn(C2CCCC2)n1 ZINC000121566825 823207285 /nfs/dbraw/zinc/20/72/85/823207285.db2.gz WAJNBAOIXVRBIS-CYBMUJFWSA-N -1 3 391.258 4.266 20 30 GIEDHM Cc1ccccc1[C@H](NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)C(C)(C)C ZINC000176522959 823228698 /nfs/dbraw/zinc/22/86/98/823228698.db2.gz VIPISZCBQCKEQT-NRFANRHFSA-N -1 3 379.504 4.008 20 30 GIEDHM Cc1ccccc1[C@@H](NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)C(C)(C)C ZINC000176522973 823228720 /nfs/dbraw/zinc/22/87/20/823228720.db2.gz VIPISZCBQCKEQT-OAQYLSRUSA-N -1 3 379.504 4.008 20 30 GIEDHM N#CC(C(=O)Nc1cccc2ccccc21)=C([O-])c1coc(-c2ccccc2)n1 ZINC000121714545 823235771 /nfs/dbraw/zinc/23/57/71/823235771.db2.gz VCHBLGRARABKHS-GOSISDBHSA-N -1 3 381.391 4.456 20 30 GIEDHM Cc1cc(C([O-])=C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc([N+](=O)[O-])c1 ZINC000121780273 823249598 /nfs/dbraw/zinc/24/95/98/823249598.db2.gz MOSUJTPFJJSPQP-HNNXBMFYSA-N -1 3 392.198 4.171 20 30 GIEDHM N#Cc1cc2c(nc1SCc1nc3c4ccccc4oc3c(=O)[n-]1)CCCC2 ZINC000121904014 823273782 /nfs/dbraw/zinc/27/37/82/823273782.db2.gz ONTCMICHKOONBM-UHFFFAOYSA-N -1 3 388.452 4.107 20 30 GIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc2ccc(Cl)cc2n1 ZINC000410417370 823491314 /nfs/dbraw/zinc/49/13/14/823491314.db2.gz HCLYNVZWQSUNGT-UHFFFAOYSA-N -1 3 380.835 4.049 20 30 GIEDHM C[C@@H]1Cc2sc([N-]C(=O)c3cc(S(C)(=O)=O)cs3)c(C#N)c2[C@@H](C)C1 ZINC000410995674 823530938 /nfs/dbraw/zinc/53/09/38/823530938.db2.gz CXFZHYGXFJAVQV-UWVGGRQHSA-N -1 3 394.543 4.023 20 30 GIEDHM Cc1sc(Br)cc1S(=O)(=O)[N-]c1cc(C#N)ccc1Cl ZINC000123736363 823536098 /nfs/dbraw/zinc/53/60/98/823536098.db2.gz MSHUVNOOQDLJBY-UHFFFAOYSA-N -1 3 391.699 4.145 20 30 GIEDHM CCOc1c(Br)cc(C([O-])=C(C#N)c2nc(C)cs2)cc1OC ZINC000041521486 821205136 /nfs/dbraw/zinc/20/51/36/821205136.db2.gz WXWOFDVYDRLTFU-NSHDSACASA-N -1 3 395.278 4.111 20 30 GIEDHM C=CCCC[C@H](C)NC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000181106993 821636583 /nfs/dbraw/zinc/63/65/83/821636583.db2.gz ZQULYQCMJTUVSR-AWEZNQCLSA-N -1 3 393.915 4.151 20 30 GIEDHM C=CCN(Cc1ccccc1F)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000178266850 822361074 /nfs/dbraw/zinc/36/10/74/822361074.db2.gz VPJVLKSLZVDXFA-UHFFFAOYSA-N -1 3 393.256 4.192 20 30 GIEDHM N#CC(=C([O-])c1ccc(OC[C@@H]2CCCO2)cc1)c1nc2ccccc2s1 ZINC000046706477 822507477 /nfs/dbraw/zinc/50/74/77/822507477.db2.gz NNAICMPRXKOBSJ-DLBZAZTESA-N -1 3 378.453 4.344 20 30 GIEDHM N#CC(=C([O-])c1c[nH]nc1-c1ccsc1)c1nc2ccccc2n1C(F)F ZINC000187268530 823033559 /nfs/dbraw/zinc/03/35/59/823033559.db2.gz QGJPXUKLWIOSGV-NSHDSACASA-N -1 3 383.383 4.373 20 30 GIEDHM Cc1nc(-c2ccc(C)cc2C)sc1C([O-])=C(C#N)C(=O)Nc1ccccn1 ZINC000126297404 823833374 /nfs/dbraw/zinc/83/33/74/823833374.db2.gz SENGGELARCDVFG-MRXNPFEDSA-N -1 3 390.468 4.092 20 30 GIEDHM N#CC(C(=O)Nc1ccccc1)=C([O-])c1cnn(-c2ccc(Cl)cc2Cl)c1 ZINC000121290275 823156083 /nfs/dbraw/zinc/15/60/83/823156083.db2.gz ZTYIERSIZPBUBO-OAHLLOKOSA-N -1 3 399.237 4.140 20 30 GIEDHM Cc1cc(Br)ccc1NC(=O)C/N=C/c1cc(Cl)ccc1[O-] ZINC000005293321 817569760 /nfs/dbraw/zinc/56/97/60/817569760.db2.gz UBHCBQHIZBFRIN-UFWORHAWSA-N -1 3 381.657 4.174 20 30 GIEDHM CCOc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc(Br)c1[O-] ZINC000006613566 817710842 /nfs/dbraw/zinc/71/08/42/817710842.db2.gz HJUNWIFUGNOQMO-FPYGCLRLSA-N -1 3 392.205 4.358 20 30 GIEDHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)C3(C#N)CCCCC3)cc2)cc1 ZINC000057418901 823293660 /nfs/dbraw/zinc/29/36/60/823293660.db2.gz GRNLFAUSYAYDES-UHFFFAOYSA-N -1 3 397.500 4.208 20 30 GIEDHM C=CCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(CCCC)cc2)ccc1C ZINC000008294909 818031619 /nfs/dbraw/zinc/03/16/19/818031619.db2.gz GHRPOAKUHLDIBL-UHFFFAOYSA-N -1 3 386.517 4.054 20 30 GIEDHM C=CCN(CC=C)C(=O)[C@@H](C)Sc1nnc([N-]c2ccccc2F)s1 ZINC000023210271 818910111 /nfs/dbraw/zinc/91/01/11/818910111.db2.gz FSVVPNUCUJWRQH-GFCCVEGCSA-N -1 3 378.498 4.102 20 30 GIEDHM C[C@H]1Cc2sc([N-]C(=O)c3cc(S(C)(=O)=O)cs3)c(C#N)c2[C@H](C)C1 ZINC000410995668 823530960 /nfs/dbraw/zinc/53/09/60/823530960.db2.gz CXFZHYGXFJAVQV-NXEZZACHSA-N -1 3 394.543 4.023 20 30 GIEDHM CCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)c1 ZINC000183008048 822410380 /nfs/dbraw/zinc/41/03/80/822410380.db2.gz NXWRASBWVDZOSO-UHFFFAOYSA-N -1 3 398.271 4.014 20 30 GIEDHM Cc1nc(-c2ncccn2)sc1C(=O)[N-]c1cc(C(C)(C)C)sc1C#N ZINC000179549414 822501558 /nfs/dbraw/zinc/50/15/58/822501558.db2.gz GKXBSBAGCDWWTI-UHFFFAOYSA-N -1 3 383.502 4.392 20 30 GIEDHM CC[C@@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2cncc(OC(C)C)c2)cc1 ZINC000179982696 822590324 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GIEDHM CCc1ccc(NC(=O)C(C#N)=C([O-])c2ccnc(OCc3ccccc3)c2)cc1 ZINC000121303195 823159243 /nfs/dbraw/zinc/15/92/43/823159243.db2.gz OCSZZLRCIKEKKV-OAQYLSRUSA-N -1 3 399.450 4.184 20 30 GIEDHM COc1cc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)ccc1F ZINC000121567008 823207343 /nfs/dbraw/zinc/20/73/43/823207343.db2.gz MCUXHYTZBYBSDJ-LLVKDONJSA-N -1 3 381.190 4.102 20 30 GIEDHM CCc1cccc(CC)c1NC(=O)C(C#N)=C([O-])c1coc(-c2ccccc2)n1 ZINC000121699272 823233160 /nfs/dbraw/zinc/23/31/60/823233160.db2.gz IXXSTTGLEQEQER-SFHVURJKSA-N -1 3 387.439 4.428 20 30 GIEDHM CCCCn1ncc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)c1C ZINC000121988677 823289428 /nfs/dbraw/zinc/28/94/28/823289428.db2.gz RQAVTBUPZSZWRQ-ZDUSSCGKSA-N -1 3 393.274 4.260 20 30 GIEDHM COc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3C#N)cc2)c(C)c1 ZINC000409868157 823330724 /nfs/dbraw/zinc/33/07/24/823330724.db2.gz CFSBVKSBFINQBG-UHFFFAOYSA-N -1 3 394.452 4.468 20 30 GIEDHM COc1ccc2cc(C([O-])=C(C#N)c3ccc(C(F)(F)F)cn3)c(C)nc2c1 ZINC000122431410 823353083 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GIEDHM N#Cc1ccsc1[N-]C(=O)c1coc(-c2ccc(Br)cc2F)n1 ZINC000182481871 822259810 /nfs/dbraw/zinc/25/98/10/822259810.db2.gz WUEZTUXESKVAQP-UHFFFAOYSA-N -1 3 392.209 4.429 20 30 GIEDHM C[C@@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)c1nc(C(C)(C)C)cs1 ZINC000184502218 822646441 /nfs/dbraw/zinc/64/64/41/822646441.db2.gz AZGILVMGRFUKHP-SNVBAGLBSA-N -1 3 383.926 4.005 20 30 GIEDHM Cc1cc(F)ccc1[C@H]1CCCN1C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000456838701 822836887 /nfs/dbraw/zinc/83/68/87/822836887.db2.gz JKFFRZUBAXMHNM-HXUWFJFHSA-N -1 3 381.451 4.020 20 30 GIEDHM CC(C)Cn1cc(C([O-])=C(C#N)c2nnc3n2CCCCC3)c2ccccc21 ZINC000054727341 822908037 /nfs/dbraw/zinc/90/80/37/822908037.db2.gz RCOOMMLQOQQSPQ-QGZVFWFLSA-N -1 3 375.476 4.105 20 30 GIEDHM Cn1c2ccccc2nc1C(C#N)=C([O-])c1c[nH]nc1-c1cc2ccccc2o1 ZINC000187235136 823028626 /nfs/dbraw/zinc/02/86/26/823028626.db2.gz FIJAYIGBHTYMLV-AWEZNQCLSA-N -1 3 381.395 4.200 20 30 GIEDHM CCCCN(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)[C@H](C)c1ccccc1 ZINC000124711300 823619767 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GIEDHM CCc1ccc(NC(=O)C(C#N)=C([O-])c2nc(-c3ccccc3F)oc2C)cc1 ZINC000121709954 823235032 /nfs/dbraw/zinc/23/50/32/823235032.db2.gz RQMFBZQTQXIYOC-QGZVFWFLSA-N -1 3 391.402 4.313 20 30 GIEDHM N#Cc1ccccc1CSCC/N=C/c1cc(Br)ccc1[O-] ZINC000005402419 817580213 /nfs/dbraw/zinc/58/02/13/817580213.db2.gz FLCKYOUCZPTFGI-RGVLZGJSSA-N -1 3 375.291 4.379 20 30 GIEDHM C[C@@H](OC(=O)c1cc(Cl)c(Cl)[n-]1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000011810656 818122553 /nfs/dbraw/zinc/12/25/53/818122553.db2.gz XEXSGIBDDSUJCJ-SSDOTTSWSA-N -1 3 386.622 4.031 20 30 GIEDHM CCCOc1cc([N-]C(=O)c2cc(C#N)cs2)c([N+](=O)[O-])cc1OCCC ZINC000176894514 823319245 /nfs/dbraw/zinc/31/92/45/823319245.db2.gz SNFNRDFJSGXMHU-UHFFFAOYSA-N -1 3 389.433 4.358 20 30 GIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1scc(C(C)(C)C)c1C#N ZINC000410927259 823522655 /nfs/dbraw/zinc/52/26/55/823522655.db2.gz KBMGJLRDZGVZSS-UHFFFAOYSA-N -1 3 382.489 4.078 20 30 GIEDHM COc1cccc(C(=O)[N-]c2sc3c(c2C#N)C[C@@H](C)C[C@H]3C)c1[N+](=O)[O-] ZINC000410977230 823527257 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394.434 4.433 20 30 GIEDHM O=C(CCCOc1ccccc1Br)Nc1nnc(C(F)(F)F)[n-]1 ZINC000051266156 822752929 /nfs/dbraw/zinc/75/29/29/822752929.db2.gz AADTZKNMJXQNBP-UHFFFAOYSA-N -1 3 393.163 4.033 20 30 GIEDHM O=C(CCCOc1ccccc1Br)Nc1nc(C(F)(F)F)n[n-]1 ZINC000051266156 822752931 /nfs/dbraw/zinc/75/29/31/822752931.db2.gz AADTZKNMJXQNBP-UHFFFAOYSA-N -1 3 393.163 4.033 20 30 GIEDHM N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)cc1[O-] ZINC000457350519 822869456 /nfs/dbraw/zinc/86/94/56/822869456.db2.gz CSWQQUHAGMXAFN-QGZVFWFLSA-N -1 3 380.835 4.161 20 30 GIEDHM CO[C@H](C)c1nc(C)c(C([O-])=C(C#N)C(=O)Nc2cccc3ccccc32)s1 ZINC000175109688 822883934 /nfs/dbraw/zinc/88/39/34/822883934.db2.gz PAUULDNATJWYLH-CZUORRHYSA-N -1 3 393.468 4.273 20 30 GIEDHM C=CCCCC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000175201316 822903078 /nfs/dbraw/zinc/90/30/78/822903078.db2.gz VWPKXRVMYZYENV-UHFFFAOYSA-N -1 3 376.453 4.230 20 30 GIEDHM CCCCOc1cc(OC)ccc1C([O-])=C(C#N)c1cnc2ccccc2n1 ZINC000190971256 823632614 /nfs/dbraw/zinc/63/26/14/823632614.db2.gz OLFKJLDUOMUGLL-KRWDZBQOSA-N -1 3 375.428 4.307 20 30 GIEDHM CSc1nccn1-c1ccc(C([O-])=C(C#N)c2cnc3ccccc3n2)cc1 ZINC000190996909 823636370 /nfs/dbraw/zinc/63/63/70/823636370.db2.gz MANDCQSJCAUXAQ-MRXNPFEDSA-N -1 3 385.452 4.027 20 30 GIEDHM N#CC(=C([O-])c1ccc(NC(=O)c2ccccc2)cc1)c1cnc2ccccc2n1 ZINC000191000343 823636776 /nfs/dbraw/zinc/63/67/76/823636776.db2.gz ASGGPALDXALYFQ-IBGZPJMESA-N -1 3 392.418 4.372 20 30 GIEDHM N#CC(C(=O)Nc1ccccn1)=C([O-])C=Cc1cc(C(F)(F)F)ccc1Cl ZINC000125101786 823651751 /nfs/dbraw/zinc/65/17/51/823651751.db2.gz HNISUIGNPKWWCM-LVDDQXARSA-N -1 3 393.752 4.115 20 30 GIEDHM COc1cc(/C=C/C(=O)c2c(C)nn(C(C)C)c2C)cc(Br)c1[O-] ZINC000063875042 823704336 /nfs/dbraw/zinc/70/43/36/823704336.db2.gz AFOBKERWPBQHBM-VOTSOKGWSA-N -1 3 393.281 4.454 20 30 GIEDHM COC(C)(C)CS(=O)(=O)[N-]c1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 ZINC000414367931 823967098 /nfs/dbraw/zinc/96/70/98/823967098.db2.gz FTEQNRMJUXZZNX-KRWDZBQOSA-N -1 3 392.908 4.162 20 30 GIEDHM N#Cc1c2c(sc1[N-]C(=O)c1csc(-c3cnccn3)n1)CCCCCC2 ZINC000170842252 823987803 /nfs/dbraw/zinc/98/78/03/823987803.db2.gz AODBSMFRNWTIRL-UHFFFAOYSA-N -1 3 395.513 4.445 20 30 GIEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2ccc(-c3ccc(F)cc3)o2)c1 ZINC000127067460 824010501 /nfs/dbraw/zinc/01/05/01/824010501.db2.gz XWJYTRHEHSBXQL-KRWDZBQOSA-N -1 3 378.359 4.055 20 30 GIEDHM CCOC(=O)c1ccc(NC(=O)C(C#N)=C([O-])c2ccc(C(C)(C)C)s2)cc1 ZINC000121578904 823209846 /nfs/dbraw/zinc/20/98/46/823209846.db2.gz TWCTVWZPBDUPFA-OAHLLOKOSA-N -1 3 398.484 4.183 20 30 GIEDHM N#Cc1cc(F)c(C(=O)[N-]c2cc(-c3ccc(OC(F)F)cc3)no2)c(F)c1 ZINC000176605532 823246978 /nfs/dbraw/zinc/24/69/78/823246978.db2.gz RYQJTGOFXQKMNQ-UHFFFAOYSA-N -1 3 391.280 4.345 20 30 GIEDHM COc1cc(C/N=C/c2cc(Br)ccc2[O-])ccc1OC(F)F ZINC000005402132 817580154 /nfs/dbraw/zinc/58/01/54/817580154.db2.gz GRHZSLIFDGLWLE-AWQFTUOYSA-N -1 3 386.192 4.384 20 30 GIEDHM Cc1cc(C(C)(C)C)cc(C)c1COC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000007674138 817892443 /nfs/dbraw/zinc/89/24/43/817892443.db2.gz PGTFFZDFHSJRJO-UHFFFAOYSA-N -1 3 394.515 4.454 20 30 GIEDHM CC(=O)Nc1ccc(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)cc1F ZINC000572207370 823300440 /nfs/dbraw/zinc/30/04/40/823300440.db2.gz GSCOVMBECRDERB-GFCCVEGCSA-N -1 3 386.333 4.019 20 30 GIEDHM COc1cc(C(=O)/C=C/c2c(C)nn(Cc3ccccc3)c2C)c(OC)cc1[O-] ZINC000122525345 823366991 /nfs/dbraw/zinc/36/69/91/823366991.db2.gz DYXDTAAISBPGTJ-ZHACJKMWSA-N -1 3 392.455 4.167 20 30 GIEDHM CCc1nc(COc2ccc(C([O-])=C(C#N)c3nc(C(C)C)cs3)cc2)no1 ZINC000177764967 823522497 /nfs/dbraw/zinc/52/24/97/823522497.db2.gz SBZFSCUHNIBWDR-HNNXBMFYSA-N -1 3 396.472 4.281 20 30 GIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](c1ccc(C(C)C)cc1)C(C)C ZINC000039517287 821109058 /nfs/dbraw/zinc/10/90/58/821109058.db2.gz FXWBVECGKSNFPG-QHCPKHFHSA-N -1 3 393.531 4.433 20 30 GIEDHM COc1cccc(-c2nn(-c3ccccc3)cc2C([O-])=C(C#N)c2ccccn2)c1 ZINC000046440171 822473234 /nfs/dbraw/zinc/47/32/34/822473234.db2.gz FBTGTYMKXRNCAN-FQEVSTJZSA-N -1 3 394.434 4.433 20 30 GIEDHM N#CC(=C([O-])c1cnn(-c2ccc(Cl)cc2)c1)c1ccc(C(F)(F)F)cn1 ZINC000048829771 822685162 /nfs/dbraw/zinc/68/51/62/822685162.db2.gz INDNZJHYVMRBJW-HNNXBMFYSA-N -1 3 390.752 4.430 20 30 GIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)C1c2ccccc2-c2ccccc21 ZINC000175068135 822877015 /nfs/dbraw/zinc/87/70/15/822877015.db2.gz GBQUGVCWAPQELB-UHFFFAOYSA-N -1 3 397.478 4.024 20 30 GIEDHM N#CC(C(=O)Nc1cc(Cl)cc(Cl)c1)=C([O-])c1ccc(C#N)c(Cl)c1 ZINC000123856999 823546526 /nfs/dbraw/zinc/54/65/26/823546526.db2.gz KWIIYBRJFFNALE-CQSZACIVSA-N -1 3 392.629 4.480 20 30 GIEDHM N#Cc1cccc(S(=O)(=O)[N-]c2ccc3nc(-c4ccc(F)cc4)[nH]c3c2)c1 ZINC000060738743 823554843 /nfs/dbraw/zinc/55/48/43/823554843.db2.gz BXINVZNMJIYQRV-UHFFFAOYSA-N -1 3 392.415 4.041 20 30 GIEDHM Cc1cc(C)c([N-]S(=O)(=O)c2cccc(Cl)c2C#N)c(Br)c1 ZINC000461133063 823584574 /nfs/dbraw/zinc/58/45/74/823584574.db2.gz STIYUHXIYKYUMC-UHFFFAOYSA-N -1 3 399.697 4.392 20 30 GIEDHM O=C(CSCc1cc(-c2cccs2)on1)Nc1n[n-]c(-c2ccco2)n1 ZINC000061620925 823606473 /nfs/dbraw/zinc/60/64/73/823606473.db2.gz VMGXEUTZSLSBDO-UHFFFAOYSA-N -1 3 387.446 4.303 20 30 GIEDHM CCCCN(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)[C@@H](C)c1ccccc1 ZINC000124711098 823619725 /nfs/dbraw/zinc/61/97/25/823619725.db2.gz WWIIGUNLBIBPIJ-SFHVURJKSA-N -1 3 379.504 4.186 20 30 GIEDHM CC(C)(C)OC(=O)c1ccc([N-]C(=O)c2c(F)cc(C#N)cc2F)c(F)c1 ZINC000126185120 823807339 /nfs/dbraw/zinc/80/73/39/823807339.db2.gz XIHVNLBPQYMOEG-UHFFFAOYSA-N -1 3 376.334 4.183 20 30 GIEDHM CC[C@@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2cccc(OC(C)C)n2)cc1 ZINC000168061916 823899565 /nfs/dbraw/zinc/89/95/65/823899565.db2.gz SMJUPIKGISLSCL-CRAIPNDOSA-N -1 3 379.460 4.343 20 30 GIEDHM CCSc1ccc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)cn1 ZINC000171036675 824044112 /nfs/dbraw/zinc/04/41/12/824044112.db2.gz XHXQOUALVNTOAO-LBPRGKRZSA-N -1 3 394.283 4.462 20 30 GIEDHM Cc1oc(-n2cccc2)c(C#N)c1C(=O)[N-]c1nnc(C2CCCCC2)s1 ZINC000016723363 818469016 /nfs/dbraw/zinc/46/90/16/818469016.db2.gz AXDQRIZOKZDNIW-UHFFFAOYSA-N -1 3 381.461 4.402 20 30 GIEDHM N#CCc1ccc(NC(=O)CSc2nnc([N-]c3ccccc3F)s2)cc1 ZINC000020037112 818611324 /nfs/dbraw/zinc/61/13/24/818611324.db2.gz SJCTYBXLONKSLD-UHFFFAOYSA-N -1 3 399.476 4.218 20 30 GIEDHM N#Cc1cc(S(=O)(=O)[N-]c2cncc(Cl)c2Cl)ccc1C(F)(F)F ZINC000410325938 823463638 /nfs/dbraw/zinc/46/36/38/823463638.db2.gz AXXFAGPUQTWOGJ-UHFFFAOYSA-N -1 3 396.177 4.080 20 30 GIEDHM Cc1c(C([O-])=C(C#N)c2cc(C)nc(C)n2)cnn1-c1cccc(C(F)(F)F)c1 ZINC000041560608 821211429 /nfs/dbraw/zinc/21/14/29/821211429.db2.gz XJPRFBRGYHKWFD-INIZCTEOSA-N -1 3 399.376 4.096 20 30 GIEDHM C=CCOC(=O)c1sc2[n-]c(CSCc3ccccc3)nc(=O)c2c1C ZINC000180468603 822687621 /nfs/dbraw/zinc/68/76/21/822687621.db2.gz KFIYFCHQMDDQON-UHFFFAOYSA-N -1 3 386.498 4.069 20 30 GIEDHM N#CC(=C([O-])c1c[nH]nc1-c1ccsc1)c1nc2ccccc2n1C(F)F ZINC000187268548 823033598 /nfs/dbraw/zinc/03/35/98/823033598.db2.gz QGJPXUKLWIOSGV-LLVKDONJSA-N -1 3 383.383 4.373 20 30 GIEDHM Cc1ccc(Cl)c2c1CCCN2C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000411078225 823542039 /nfs/dbraw/zinc/54/20/39/823542039.db2.gz BZKITQFCTNFWQC-UHFFFAOYSA-N -1 3 383.879 4.150 20 30 GIEDHM Cc1ccc(Cl)c2c1N(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)CCC2 ZINC000411095806 823544920 /nfs/dbraw/zinc/54/49/20/823544920.db2.gz RZUKOSKZWXGKKJ-UHFFFAOYSA-N -1 3 383.879 4.150 20 30 GIEDHM CC(C)(C)[C@H]1CCc2sc(C([O-])=C(C#N)C(=O)Nc3ccccn3)cc2C1 ZINC000125108291 823652229 /nfs/dbraw/zinc/65/22/29/823652229.db2.gz QDMYHSDINXHIRT-LSDHHAIUSA-N -1 3 381.501 4.255 20 30 GIEDHM CCOC(=O)c1sc2[n-]c([C@H](C)Sc3ccc(C#N)cc3)nc(=O)c2c1C ZINC000412990056 823698399 /nfs/dbraw/zinc/69/83/99/823698399.db2.gz HGYYOQLSHYMZNE-NSHDSACASA-N -1 3 399.497 4.195 20 30 GIEDHM N#Cc1cc(-c2ccccc2)sc1[N-]C(=O)c1csc(-c2ncccn2)n1 ZINC000120825631 823071933 /nfs/dbraw/zinc/07/19/33/823071933.db2.gz ZNKZAGJFJZMBEP-UHFFFAOYSA-N -1 3 389.465 4.453 20 30 GIEDHM Cc1cc(C)c(NC(=O)C/N=C/c2cc(Br)ccc2[O-])c(C)c1 ZINC000005292039 817569265 /nfs/dbraw/zinc/56/92/65/817569265.db2.gz REYMXLVMUAOBOB-AWQFTUOYSA-N -1 3 375.266 4.138 20 30 GIEDHM CCCN(CC)c1ccc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)cn1 ZINC000122890140 823429312 /nfs/dbraw/zinc/42/93/12/823429312.db2.gz CBYCMYQRBJHDNM-HNNXBMFYSA-N -1 3 376.382 4.222 20 30 GIEDHM CCN(CC)c1nc2sc(C(=O)[N-]c3snc(C)c3C#N)cc2s1 ZINC000410814347 823516236 /nfs/dbraw/zinc/51/62/36/823516236.db2.gz YQHCUPMUZODZEW-UHFFFAOYSA-N -1 3 377.520 4.093 20 30 GIEDHM COc1ccc([N+](=O)[O-])c(C(=O)[N-]c2sc3c(c2C#N)C[C@@H](C)C[C@H]3C)c1 ZINC000410984011 823528555 /nfs/dbraw/zinc/52/85/55/823528555.db2.gz QKOCIBLWALWKND-WDEREUQCSA-N -1 3 385.445 4.475 20 30 GIEDHM C[C@@H]1C[C@H](C)Cc2c(C#N)c([N-]C(=O)c3ncn(-c4ccccc4)n3)sc21 ZINC000410970134 823525946 /nfs/dbraw/zinc/52/59/46/823525946.db2.gz GEZYIRJHNDQQBS-QWHCGFSZSA-N -1 3 377.473 4.139 20 30 GIEDHM C[C@@H]1CCc2sc([N-]C(=O)c3csc(-c4cnccn4)n3)c(C#N)c2[C@H]1C ZINC000410975698 823526812 /nfs/dbraw/zinc/52/68/12/823526812.db2.gz AEPBMFSWGURIAZ-MNOVXSKESA-N -1 3 395.513 4.471 20 30 GIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc2c(c1)oc1ccccc12 ZINC000043048230 821356666 /nfs/dbraw/zinc/35/66/66/821356666.db2.gz TUVUSUGKQAUJGV-UHFFFAOYSA-N -1 3 385.423 4.334 20 30 GIEDHM O=C(COc1ccc(F)cc1F)[N-][C@H](c1cccc(F)c1F)C(F)(F)F ZINC000181600171 821897319 /nfs/dbraw/zinc/89/73/19/821897319.db2.gz HLKMNAAKOJPSGG-OAHLLOKOSA-N -1 3 381.247 4.042 20 30 GIEDHM Cc1nc(C([O-])=C(C#N)C(=O)Nc2ccc(SC(F)F)cc2)c(C)s1 ZINC000178705796 822404474 /nfs/dbraw/zinc/40/44/74/822404474.db2.gz IELSCYNYVQZZAP-LBPRGKRZSA-N -1 3 381.429 4.036 20 30 GIEDHM C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)c1nc(C(C)(C)C)cs1 ZINC000183652106 822506295 /nfs/dbraw/zinc/50/62/95/822506295.db2.gz WTWXUAIWHFRLMM-SNVBAGLBSA-N -1 3 383.926 4.005 20 30 GIEDHM CCOc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc(Br)c1[O-] ZINC000048417703 822660793 /nfs/dbraw/zinc/66/07/93/822660793.db2.gz UOSYHURMWCEZHR-HWKANZROSA-N -1 3 391.217 4.178 20 30 GIEDHM Cc1cc(NC(=O)c2cccc(F)c2)sc1C([O-])=C(C#N)c1ccccn1 ZINC000049457589 822700861 /nfs/dbraw/zinc/70/08/61/822700861.db2.gz BXVHVHCIYISNLY-HNNXBMFYSA-N -1 3 379.416 4.333 20 30 GIEDHM N#CC(=C([O-])c1cccc(-c2noc(C3CC3)n2)c1)c1cnc2ccccc2n1 ZINC000190915105 823623624 /nfs/dbraw/zinc/62/36/24/823623624.db2.gz JFAPRRUQXMZJKQ-MRXNPFEDSA-N -1 3 381.395 4.047 20 30 GIEDHM C=CCN(Cc1cccs1)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000126304874 823834633 /nfs/dbraw/zinc/83/46/33/823834633.db2.gz BHZBRAOIRUEVRW-UHFFFAOYSA-N -1 3 381.295 4.114 20 30 GIEDHM CSc1cc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)ccc1Cl ZINC000413941240 823872486 /nfs/dbraw/zinc/87/24/86/823872486.db2.gz DNHKLNRUYZJBGY-UHFFFAOYSA-N -1 3 375.881 4.222 20 30 GIEDHM CC(C)Oc1cccc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)n1 ZINC000167805218 823895927 /nfs/dbraw/zinc/89/59/27/823895927.db2.gz HMLXZRHJVNRTKP-LBPRGKRZSA-N -1 3 392.242 4.137 20 30 GIEDHM N#CC(C(=O)Nc1ccc(SC(F)F)cc1)=C([O-])c1cc(F)cc(F)c1 ZINC000126575039 823903469 /nfs/dbraw/zinc/90/34/69/823903469.db2.gz HWVXXFQOPFMBQC-AWEZNQCLSA-N -1 3 382.338 4.241 20 30 GIEDHM N#CC(C(=O)Nc1ccc(SC(F)F)cc1)=C([O-])c1ccc(F)c(F)c1 ZINC000126583987 823905609 /nfs/dbraw/zinc/90/56/09/823905609.db2.gz DQTXQXBHMIISFD-GFCCVEGCSA-N -1 3 382.338 4.241 20 30 GIEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2ccc(-c3ccccc3F)o2)c1 ZINC000127067224 824010617 /nfs/dbraw/zinc/01/06/17/824010617.db2.gz ORCCJPSWDVNSRC-MRXNPFEDSA-N -1 3 378.359 4.055 20 30 GIEDHM C=CCC(C)(C)CNC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000458815464 823090792 /nfs/dbraw/zinc/09/07/92/823090792.db2.gz XQFZKXBTJOIEOS-UHFFFAOYSA-N -1 3 393.915 4.008 20 30 GIEDHM CCc1cccc(S(=O)(=O)[N-]c2ccc(Oc3ncccc3C#N)cc2C)c1 ZINC000176446920 823209795 /nfs/dbraw/zinc/20/97/95/823209795.db2.gz CVZFWPHQIASVBP-UHFFFAOYSA-N -1 3 393.468 4.417 20 30 GIEDHM COc1csc(C(=O)[N-]c2nnc(SCc3ccc(C#N)cc3)s2)c1 ZINC000176626783 823252156 /nfs/dbraw/zinc/25/21/56/823252156.db2.gz OSVVAFRKUYUEEC-UHFFFAOYSA-N -1 3 388.499 4.024 20 30 GIEDHM Cc1cccc(NC(=O)C(C#N)=C([O-])c2cc(C(C)C)n(-c3ccccc3)n2)c1 ZINC000121960921 823285222 /nfs/dbraw/zinc/28/52/22/823285222.db2.gz DXJJMONVOJDLBG-IBGZPJMESA-N -1 3 386.455 4.265 20 30 GIEDHM O=C1Nc2ccccc2C1=N[N-]c1ncnc2scc(-c3ccc(F)cc3)c21 ZINC000007862470 817942356 /nfs/dbraw/zinc/94/23/56/817942356.db2.gz ZNALUVZAQUEEGO-UHFFFAOYSA-N -1 3 389.415 4.266 20 30 GIEDHM C=CCn1c(S[C@H](C)c2nc(C)cc(=O)[n-]2)nnc1-c1cccc(Cl)c1 ZINC000122542822 823369889 /nfs/dbraw/zinc/36/98/89/823369889.db2.gz VQHUYDHUUOJJKK-GFCCVEGCSA-N -1 3 387.896 4.442 20 30 GIEDHM N#Cc1cccc(NC(=O)CCSc2nnc([N-]c3ccccc3F)s2)c1 ZINC000026361765 820089555 /nfs/dbraw/zinc/08/95/55/820089555.db2.gz NOEOTEXSMPYXMA-UHFFFAOYSA-N -1 3 399.476 4.413 20 30 GIEDHM COc1ccc([N+](=O)[O-])c(C(=O)[N-]c2sc3c(c2C#N)[C@H](C)[C@H](C)CC3)c1 ZINC000410990137 823529781 /nfs/dbraw/zinc/52/97/81/823529781.db2.gz VWTZGNTTXZVICO-GHMZBOCLSA-N -1 3 385.445 4.475 20 30 GIEDHM COc1cccc(C(=O)[N-]c2sc3c(c2C#N)[C@H](C)C[C@H](C)C3)c1[N+](=O)[O-] ZINC000411022388 823535118 /nfs/dbraw/zinc/53/51/18/823535118.db2.gz XOUALIPVPHOJTO-WDEREUQCSA-N -1 3 385.445 4.475 20 30 GIEDHM Cc1csc(Sc2ccc(C([O-])=C(C#N)c3ccccn3)cc2[N+](=O)[O-])n1 ZINC000041493991 821197257 /nfs/dbraw/zinc/19/72/57/821197257.db2.gz HUHXIKVKUNZZOX-CYBMUJFWSA-N -1 3 396.453 4.396 20 30 GIEDHM CC(C)n1nc(C([O-])=C(C#N)c2nc3ccccc3s2)c2ccccc2c1=O ZINC000041504849 821200561 /nfs/dbraw/zinc/20/05/61/821200561.db2.gz SLPLJAHTBAUAJW-HNNXBMFYSA-N -1 3 388.452 4.077 20 30 GIEDHM Cc1cc(C(C#N)=C([O-])c2cc(C(C)C)nc3c2cnn3C(C)C)nc(C)n1 ZINC000041562986 821212069 /nfs/dbraw/zinc/21/20/69/821212069.db2.gz PVZPJHZLOAOMGM-MRXNPFEDSA-N -1 3 376.464 4.033 20 30 GIEDHM Cc1cccc(NC(=O)C(C#N)=C([O-])c2ccnc(OC3CCCCC3)c2)c1 ZINC000179793487 822554182 /nfs/dbraw/zinc/55/41/82/822554182.db2.gz ZEBYLLQDHGSDNH-LJQANCHMSA-N -1 3 377.444 4.063 20 30 GIEDHM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(Oc3ncccc3C#N)cc2C)c1 ZINC000047991993 822624384 /nfs/dbraw/zinc/62/43/84/822624384.db2.gz FLOMQXHTTZUOCY-UHFFFAOYSA-N -1 3 393.468 4.472 20 30 GIEDHM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3nc(-c4ccc(F)cc4)[nH]c3c2)cc1 ZINC000060738741 823554770 /nfs/dbraw/zinc/55/47/70/823554770.db2.gz HWRNKXAQGAMULT-UHFFFAOYSA-N -1 3 392.415 4.041 20 30 GIEDHM CCCCOc1ccc(C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)c([O-])c1 ZINC000190303424 823560713 /nfs/dbraw/zinc/56/07/13/823560713.db2.gz WAMCKQGVCKJDMJ-UHFFFAOYSA-N -1 3 394.471 4.126 20 30 GIEDHM CC(C)n1cc(Br)cc1C([O-])=C(C#N)c1cnc2ccccc2n1 ZINC000190975422 823633173 /nfs/dbraw/zinc/63/31/73/823633173.db2.gz HDJLQHLXUXFJRG-ZDUSSCGKSA-N -1 3 383.249 4.265 20 30 GIEDHM N#CC(C(=O)Nc1ccccn1)=C([O-])C=Cc1ccc(-c2ccc(F)cc2)s1 ZINC000125177485 823657107 /nfs/dbraw/zinc/65/71/07/823657107.db2.gz GYJHLXWPTTZVSQ-SYJIQKIWSA-N -1 3 391.427 4.310 20 30 GIEDHM COc1ccccc1-c1nc(C([O-])=C(C#N)C(=O)Nc2cccc(C)c2)cs1 ZINC000126251101 823821165 /nfs/dbraw/zinc/82/11/65/823821165.db2.gz LYVMNFFZVIMQJQ-INIZCTEOSA-N -1 3 391.452 4.088 20 30 GIEDHM Cc1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)c1Br ZINC000126608698 823910281 /nfs/dbraw/zinc/91/02/81/823910281.db2.gz DDEQTINWNIIPSS-UHFFFAOYSA-N -1 3 385.670 4.083 20 30 GIEDHM N#Cc1cc(-c2ccccc2)sc1[N-]C(=O)c1csc(-c2cnccn2)n1 ZINC000170842142 823987884 /nfs/dbraw/zinc/98/78/84/823987884.db2.gz LLNYPQSUDLTWES-UHFFFAOYSA-N -1 3 389.465 4.453 20 30 GIEDHM COc1cc(C)c(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)cc1OC ZINC000120720894 823052391 /nfs/dbraw/zinc/05/23/91/823052391.db2.gz JLUUOTJQBQBHOK-HNNXBMFYSA-N -1 3 379.441 4.021 20 30 GIEDHM N#CC(C(=O)Nc1cc(Cl)cc(Cl)c1)=C([O-])c1ccn(C2CCCC2)n1 ZINC000121580063 823210379 /nfs/dbraw/zinc/21/03/79/823210379.db2.gz ICAUALKGVHACPI-OAHLLOKOSA-N -1 3 391.258 4.266 20 30 GIEDHM CC[C@@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2cc(C)cc([N+](=O)[O-])c2)cc1 ZINC000121783450 823250164 /nfs/dbraw/zinc/25/01/64/823250164.db2.gz ZDYWRPXOHQGCHA-KUHUBIRLSA-N -1 3 379.416 4.378 20 30 GIEDHM Cn1c(C(C#N)=C([O-])c2c[nH]nc2-c2ccc(Cl)s2)nc2ccccc21 ZINC000188648462 823279928 /nfs/dbraw/zinc/27/99/28/823279928.db2.gz BBIWCDMMHHSTBR-JTQLQIEISA-N -1 3 381.848 4.168 20 30 GIEDHM N#Cc1ccc(CSc2nnc([N-]C(=O)c3ccc(F)cc3F)s2)cc1 ZINC000007794841 817917158 /nfs/dbraw/zinc/91/71/58/817917158.db2.gz PUOGAOXPMHGFSQ-UHFFFAOYSA-N -1 3 388.424 4.233 20 30 GIEDHM CCOc1cc(C([O-])=C(C#N)c2nc(C)cs2)ccc1OCc1cccnc1 ZINC000122303585 823335302 /nfs/dbraw/zinc/33/53/02/823335302.db2.gz GXTUVBZMNUAVJR-KRWDZBQOSA-N -1 3 393.468 4.314 20 30 GIEDHM N#Cc1ccsc1C(=O)[N-]c1ccc(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000188980621 823337857 /nfs/dbraw/zinc/33/78/57/823337857.db2.gz ALSUJBLMQLPYHB-UHFFFAOYSA-N -1 3 379.397 4.359 20 30 GIEDHM O=C1Nc2c(cccc2C(F)(F)F)C1=N[N-]c1ncc(Cl)cc1Cl ZINC000017651013 818522621 /nfs/dbraw/zinc/52/26/21/818522621.db2.gz XFEMKSWLIDGSNA-UHFFFAOYSA-N -1 3 375.137 4.176 20 30 GIEDHM COc1ccc2cc(C([O-])=C(C#N)c3ccc(C(F)(F)F)cn3)c(C)nc2c1 ZINC000122431633 823353231 /nfs/dbraw/zinc/35/32/31/823353231.db2.gz DGHQRFGLSOBMIH-MRXNPFEDSA-N -1 3 385.345 4.456 20 30 GIEDHM C=CCn1c(SCc2cc(=O)oc3c(C)c([O-])ccc23)nnc1-c1ccco1 ZINC000022379335 818799289 /nfs/dbraw/zinc/79/92/89/818799289.db2.gz TYKQJILYCCZQLP-UHFFFAOYSA-N -1 3 395.440 4.137 20 30 GIEDHM C=CCNC(=O)Nc1ccc([N-]S(=O)(=O)c2c(C)c(C)cc(C)c2C)cc1 ZINC000029329327 820437272 /nfs/dbraw/zinc/43/72/72/820437272.db2.gz YIZMRIVYGXBKGJ-UHFFFAOYSA-N -1 3 387.505 4.029 20 30 GIEDHM CC(C)OCCS(=O)(=O)[N-]c1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 ZINC000177539528 823485853 /nfs/dbraw/zinc/48/58/53/823485853.db2.gz ZKDDCKUJEVMUFZ-SFHVURJKSA-N -1 3 392.908 4.162 20 30 GIEDHM Cc1nc(C(=O)[N-]c2scc(C(C)(C)C)c2C#N)nn1-c1ccc(F)cc1 ZINC000410931951 823523119 /nfs/dbraw/zinc/52/31/19/823523119.db2.gz WIUCDSJRSCZXQE-UHFFFAOYSA-N -1 3 383.452 4.198 20 30 GIEDHM C[C@H]1CCc2sc([N-]C(=O)c3ncn(-c4ccccc4)n3)c(C#N)c2[C@H]1C ZINC000410985858 823528991 /nfs/dbraw/zinc/52/89/91/823528991.db2.gz OKIKJWVCQJILFF-STQMWFEESA-N -1 3 377.473 4.139 20 30 GIEDHM COc1cccc(C(=O)[N-]c2sc3c(c2C#N)[C@H](C)[C@H](C)CC3)c1[N+](=O)[O-] ZINC000410987413 823529147 /nfs/dbraw/zinc/52/91/47/823529147.db2.gz QSSIIAMZGZNXGS-GHMZBOCLSA-N -1 3 385.445 4.475 20 30 GIEDHM COc1ccc([N+](=O)[O-])c(C(=O)[N-]c2sc3c(c2C#N)[C@H](C)[C@@H](C)CC3)c1 ZINC000410990141 823529829 /nfs/dbraw/zinc/52/98/29/823529829.db2.gz VWTZGNTTXZVICO-WDEREUQCSA-N -1 3 385.445 4.475 20 30 GIEDHM C[C@H]1Cc2sc([N-]C(=O)c3cc(S(C)(=O)=O)cs3)c(C#N)c2[C@@H](C)C1 ZINC000410995678 823531001 /nfs/dbraw/zinc/53/10/01/823531001.db2.gz CXFZHYGXFJAVQV-ZJUUUORDSA-N -1 3 394.543 4.023 20 30 GIEDHM C[C@H]1Cc2sc([N-]C(=O)c3ncn(-c4ccccc4)n3)c(C#N)c2[C@@H](C)C1 ZINC000411015491 823533847 /nfs/dbraw/zinc/53/38/47/823533847.db2.gz QPHPDDJYNGXRCH-OLZOCXBDSA-N -1 3 377.473 4.139 20 30 GIEDHM Cc1nn(Cc2ccccc2Cl)c(Cl)c1C([O-])=C(C#N)c1ccccn1 ZINC000041493938 821197517 /nfs/dbraw/zinc/19/75/17/821197517.db2.gz JHOAREYQEUWLRH-AWEZNQCLSA-N -1 3 385.254 4.432 20 30 GIEDHM Cc1cc(C(C#N)=C([O-])c2nc(-c3ccccc3)n3c2CCCCC3)nc(C)n1 ZINC000041560231 821211620 /nfs/dbraw/zinc/21/16/20/821211620.db2.gz SWEIWHJIZBNNNG-SFHVURJKSA-N -1 3 385.471 4.173 20 30 GIEDHM Cc1c(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)cnn1C(C)C ZINC000181253430 821719561 /nfs/dbraw/zinc/71/95/61/821719561.db2.gz HKCCDXHYDHNVRL-LBPRGKRZSA-N -1 3 379.247 4.040 20 30 GIEDHM N#CC(=C([O-])c1cnn(CCC(F)(F)F)c1)c1nc2ccccc2n1C(F)F ZINC000181499431 821855620 /nfs/dbraw/zinc/85/56/20/821855620.db2.gz TZNDYLANIMDSDE-NSHDSACASA-N -1 3 397.307 4.070 20 30 GIEDHM O=C(COc1ccc(F)cc1F)[N-][C@@H](c1cccc(F)c1F)C(F)(F)F ZINC000181600154 821897451 /nfs/dbraw/zinc/89/74/51/821897451.db2.gz HLKMNAAKOJPSGG-HNNXBMFYSA-N -1 3 381.247 4.042 20 30 GIEDHM CCOc1cc(/C=C\C(=O)c2ccc3c(c2)OCO3)cc(Br)c1[O-] ZINC000048417702 822660728 /nfs/dbraw/zinc/66/07/28/822660728.db2.gz UOSYHURMWCEZHR-HYXAFXHYSA-N -1 3 391.217 4.178 20 30 GIEDHM COc1ccc(C([O-])=C(C#N)c2cnc3ccccc3n2)c(OCC(C)C)c1 ZINC000190912192 823623339 /nfs/dbraw/zinc/62/33/39/823623339.db2.gz YSGWNPWEHVNZND-QGZVFWFLSA-N -1 3 375.428 4.163 20 30 GIEDHM Cc1ccc(Br)c(S(=O)(=O)[N-]c2cc(C#N)ccc2Cl)c1 ZINC000124775112 823625251 /nfs/dbraw/zinc/62/52/51/823625251.db2.gz XUKKHDBYGIFKQR-UHFFFAOYSA-N -1 3 385.670 4.083 20 30 GIEDHM Cc1ccc(OCc2cccc(C([O-])=C(C#N)c3cnc4ccccc4n3)c2)cn1 ZINC000190961760 823631112 /nfs/dbraw/zinc/63/11/12/823631112.db2.gz SXMJBAKZHBIZEX-FQEVSTJZSA-N -1 3 394.434 4.402 20 30 GIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CCCc2ccc(C(C)C)cc21 ZINC000125578604 823686780 /nfs/dbraw/zinc/68/67/80/823686780.db2.gz QFEFVAPIKMNVTL-JOCHJYFZSA-N -1 3 391.515 4.113 20 30 GIEDHM C=CCN(Cc1ccc(Cl)s1)C(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O ZINC000574347082 823706040 /nfs/dbraw/zinc/70/60/40/823706040.db2.gz TXYPNHQGZHGHSF-UHFFFAOYSA-N -1 3 379.913 4.331 20 30 GIEDHM N#CC(C(=O)Nc1ccccc1)=C([O-])c1cnn(-c2ccc(Cl)cc2Cl)c1 ZINC000121290113 823156050 /nfs/dbraw/zinc/15/60/50/823156050.db2.gz ZTYIERSIZPBUBO-HNNXBMFYSA-N -1 3 399.237 4.140 20 30 GIEDHM C[C@@H]1C[C@H](C)Cc2sc([N-]C(=O)c3ncn(-c4ccccc4)n3)c(C#N)c21 ZINC000411015492 823533834 /nfs/dbraw/zinc/53/38/34/823533834.db2.gz QPHPDDJYNGXRCH-QWHCGFSZSA-N -1 3 377.473 4.139 20 30 GIEDHM CN(C)c1nc2sc(C(=O)[N-]c3sc4c(c3C#N)CCCC4)cc2s1 ZINC000182233027 822159348 /nfs/dbraw/zinc/15/93/48/822159348.db2.gz JBCZYGCRECTURS-UHFFFAOYSA-N -1 3 388.543 4.488 20 30 GIEDHM COc1cc(C(=O)[N-]c2sc3c(c2C#N)CCC3)sc1Br ZINC000179881853 822570990 /nfs/dbraw/zinc/57/09/90/822570990.db2.gz WMIUXIJZTYYOMU-UHFFFAOYSA-N -1 3 383.292 4.193 20 30 GIEDHM COc1ccc(-c2cc(C([O-])=C(C#N)c3ccccn3)nn2-c2ccccc2)cc1 ZINC000049458070 822700798 /nfs/dbraw/zinc/70/07/98/822700798.db2.gz MXRKWBFDVVRVKB-FQEVSTJZSA-N -1 3 394.434 4.433 20 30 GIEDHM Cc1nn(-c2ccc(Br)cc2)c(C)c1C([O-])=C(C#N)c1ccccn1 ZINC000049457505 822700930 /nfs/dbraw/zinc/70/09/30/822700930.db2.gz ROHYZOFRTBWFJW-INIZCTEOSA-N -1 3 395.260 4.137 20 30 GIEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1cc(Cl)cc(C(F)(F)F)c1 ZINC000123853640 823545860 /nfs/dbraw/zinc/54/58/60/823545860.db2.gz QRLORAYWOIIZDM-ZDUSSCGKSA-N -1 3 396.752 4.329 20 30 GIEDHM N#CCC[C@H]([N-]S(=O)(=O)c1cc(Cl)sc1Cl)c1ccccc1 ZINC000124563186 823606739 /nfs/dbraw/zinc/60/67/39/823606739.db2.gz PCVGTQDJHXGVCW-NSHDSACASA-N -1 3 375.302 4.378 20 30 GIEDHM Cc1nc(-c2ccc(C)cc2C)sc1C([O-])=C(C#N)C(=O)Nc1ccccn1 ZINC000126297634 823833150 /nfs/dbraw/zinc/83/31/50/823833150.db2.gz SENGGELARCDVFG-INIZCTEOSA-N -1 3 390.468 4.092 20 30 GIEDHM Cc1nsc(Oc2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)c1C#N ZINC000575777684 823992322 /nfs/dbraw/zinc/99/23/22/823992322.db2.gz BYKPWTYFGKYINU-UHFFFAOYSA-N -1 3 385.470 4.225 20 30 GIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CCC[C@H](c2ccccc2)C1 ZINC000571472878 823188102 /nfs/dbraw/zinc/18/81/02/823188102.db2.gz PKVSFJOHRFZIDZ-RBUKOAKNSA-N -1 3 377.488 4.051 20 30 GIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1c2c(ccc1Cl)CC(C)(C)O2 ZINC000571955166 823259715 /nfs/dbraw/zinc/25/97/15/823259715.db2.gz FQILQSUJYSJDSS-UHFFFAOYSA-N -1 3 399.878 4.214 20 30 GIEDHM N#Cc1cc2c(nc1[N-]C(=O)c1c(F)cc(Br)cc1F)CCCC2 ZINC000122121578 823309433 /nfs/dbraw/zinc/30/94/33/823309433.db2.gz ATLSOAXZOORWHP-UHFFFAOYSA-N -1 3 392.203 4.125 20 30 GIEDHM C=CCc1cccc(C(C)C)c1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000189898332 823511354 /nfs/dbraw/zinc/51/13/54/823511354.db2.gz YFOXRTASXMSUTM-UHFFFAOYSA-N -1 3 377.488 4.287 20 30 GIEDHM COc1cccc(C(=O)[N-]c2sc3c(c2C#N)[C@@H](C)[C@H](C)CC3)c1[N+](=O)[O-] ZINC000410987416 823529244 /nfs/dbraw/zinc/52/92/44/823529244.db2.gz QSSIIAMZGZNXGS-MNOVXSKESA-N -1 3 385.445 4.475 20 30 GIEDHM C[C@H]1Cc2sc([N-]C(=O)c3cnc(-c4ncccn4)s3)c(C#N)c2[C@@H](C)C1 ZINC000411006658 823531936 /nfs/dbraw/zinc/53/19/36/823531936.db2.gz DRIRPAODILHXJK-MNOVXSKESA-N -1 3 395.513 4.471 20 30 GIEDHM C[C@H]1Cc2sc([N-]C(=O)c3ncn(-c4ccccc4)n3)c(C#N)c2[C@H](C)C1 ZINC000411015490 823533836 /nfs/dbraw/zinc/53/38/36/823533836.db2.gz QPHPDDJYNGXRCH-CHWSQXEVSA-N -1 3 377.473 4.139 20 30 GIEDHM Cc1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2Cl)c(Br)c1 ZINC000123710268 823533974 /nfs/dbraw/zinc/53/39/74/823533974.db2.gz CTUJGECOHKSEJV-UHFFFAOYSA-N -1 3 385.670 4.083 20 30 GIEDHM Cc1ccc(-c2csc(C(C#N)=C([O-])c3ccc(-n4cncn4)cc3)n2)cc1 ZINC000041513225 821202745 /nfs/dbraw/zinc/20/27/45/821202745.db2.gz ZNQXZUGWSJDPQH-SFHVURJKSA-N -1 3 385.452 4.189 20 30 GIEDHM CC(C)n1ncc2cc(C([O-])=C(C#N)c3nc4ccccc4n3C(F)F)cnc21 ZINC000041557528 821210082 /nfs/dbraw/zinc/21/00/82/821210082.db2.gz KGMDFCQKBWWLOO-CQSZACIVSA-N -1 3 394.385 4.247 20 30 GIEDHM N#Cc1c([N-]C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)sc2c1CCCC2 ZINC000182480206 822259195 /nfs/dbraw/zinc/25/91/95/822259195.db2.gz OIRLKXNTEXXPLS-UHFFFAOYSA-N -1 3 393.371 4.260 20 30 GIEDHM N#Cc1ccc(C(=O)N2CCCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)cc1[O-] ZINC000457350508 822869653 /nfs/dbraw/zinc/86/96/53/822869653.db2.gz CSWQQUHAGMXAFN-KRWDZBQOSA-N -1 3 380.835 4.161 20 30 GIEDHM CCC(CC)C(=O)N1CCC(/N=C/c2cc(Br)ccc2[O-])CC1 ZINC000054892942 822920365 /nfs/dbraw/zinc/92/03/65/822920365.db2.gz MHAOLNCSNDRIBM-UDWIEESQSA-N -1 3 381.314 4.001 20 30 GIEDHM Cc1cccc(S(=O)(=O)[N-]c2ccc(Oc3ncccc3C#N)cc2C)c1 ZINC000055588338 822983091 /nfs/dbraw/zinc/98/30/91/822983091.db2.gz NAPIXGUWXYIZEE-UHFFFAOYSA-N -1 3 379.441 4.163 20 30 GIEDHM N#CC(=C([O-])c1cncc(-c2ccc(Cl)cc2)c1)c1nnc2n1CCCCC2 ZINC000124635453 823612924 /nfs/dbraw/zinc/61/29/24/823612924.db2.gz JKCGCQSAJGWVID-SFHVURJKSA-N -1 3 391.862 4.210 20 30 GIEDHM N#Cc1ccc(OC2CCN(Cc3cccc([O-])c3Br)CC2)cc1 ZINC000459337196 823164237 /nfs/dbraw/zinc/16/42/37/823164237.db2.gz KKEKVLZZSUVWSV-UHFFFAOYSA-N -1 3 387.277 4.070 20 30 GIEDHM N#CC(C(=O)Nc1ccc(Cl)cc1Cl)=C([O-])c1ccn(C2CCCC2)n1 ZINC000121566679 823207381 /nfs/dbraw/zinc/20/73/81/823207381.db2.gz WAJNBAOIXVRBIS-ZDUSSCGKSA-N -1 3 391.258 4.266 20 30 GIEDHM N#CC(C(=O)Nc1cc(Cl)cc(Cl)c1)=C([O-])c1ccn(C2CCCC2)n1 ZINC000121580234 823210411 /nfs/dbraw/zinc/21/04/11/823210411.db2.gz ICAUALKGVHACPI-HNNXBMFYSA-N -1 3 391.258 4.266 20 30 GIEDHM Cc1cc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc([N+](=O)[O-])c1 ZINC000121777133 823248340 /nfs/dbraw/zinc/24/83/40/823248340.db2.gz OEWGCCCLCIDJRK-ZDUSSCGKSA-N -1 3 392.198 4.171 20 30 GIEDHM CCCCn1ncc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)c1C ZINC000121988416 823289313 /nfs/dbraw/zinc/28/93/13/823289313.db2.gz RQAVTBUPZSZWRQ-CYBMUJFWSA-N -1 3 393.274 4.260 20 30 GIEDHM COC(=O)c1ccccc1-c1ccc(/C=C/C(=O)c2ccc([O-])c(OC)c2)o1 ZINC000028913219 820371978 /nfs/dbraw/zinc/37/19/78/820371978.db2.gz IKTSSOJFTFIPOV-DHZHZOJOSA-N -1 3 378.380 4.344 20 30 GIEDHM C[C@@H]1Cc2sc([N-]C(=O)c3cnc(-c4ncccn4)s3)c(C#N)c2[C@@H](C)C1 ZINC000411006659 823531962 /nfs/dbraw/zinc/53/19/62/823531962.db2.gz DRIRPAODILHXJK-QWRGUYRKSA-N -1 3 395.513 4.471 20 30 GIEDHM O=C(CSCC(F)(F)F)[N-][C@H](c1ccccc1OC(F)F)C(F)(F)F ZINC000180879060 821509438 /nfs/dbraw/zinc/50/94/38/821509438.db2.gz CTGFGIJYQMTXQL-SNVBAGLBSA-N -1 3 397.287 4.303 20 30 GIEDHM N#Cc1ccc(Cn2cnc([N-]C(=O)c3sc4ccccc4c3Cl)n2)cc1 ZINC000178008323 822279638 /nfs/dbraw/zinc/27/96/38/822279638.db2.gz SSUQEDZGBQVNPP-UHFFFAOYSA-N -1 3 393.859 4.318 20 30 GIEDHM N#Cc1ccccc1OCc1ccc(C(=O)[N-]c2ncn(C3CCCCC3)n2)o1 ZINC000182680102 822349430 /nfs/dbraw/zinc/34/94/30/822349430.db2.gz LIWYNAPXQRMCOO-UHFFFAOYSA-N -1 3 391.431 4.079 20 30 GIEDHM CCS(=O)(=O)c1ccc(F)c(C(=O)[N-]c2cc(C(C)(C)C)sc2C#N)c1 ZINC000179552828 822502196 /nfs/dbraw/zinc/50/21/96/822502196.db2.gz NXMMEMITBLWKNM-UHFFFAOYSA-N -1 3 394.493 4.102 20 30 GIEDHM CC[C@H](C)Oc1cc(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)ccn1 ZINC000179901678 822573959 /nfs/dbraw/zinc/57/39/59/822573959.db2.gz BMJRIDIPFBNBPT-JSGCOSHPSA-N -1 3 384.386 4.494 20 30 GIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCc2c1cccc2-c1ccccc1 ZINC000184386941 822626385 /nfs/dbraw/zinc/62/63/85/822626385.db2.gz ZXWCKMMFYCGZNH-UHFFFAOYSA-N -1 3 397.478 4.052 20 30 GIEDHM N#Cc1ccc(S(=O)(=O)[N-]c2cncc(Cl)c2Cl)cc1C(F)(F)F ZINC000180291317 822657010 /nfs/dbraw/zinc/65/70/10/822657010.db2.gz RPPXUMYWBWUXIE-UHFFFAOYSA-N -1 3 396.177 4.080 20 30 GIEDHM N#CC(=C([O-])c1ccc(CN2CCSCC2)cc1)c1nc2ccccc2s1 ZINC000570116027 823007018 /nfs/dbraw/zinc/00/70/18/823007018.db2.gz MNQUHXBIGUVMSS-KRWDZBQOSA-N -1 3 393.537 4.335 20 30 GIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)[C@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000175709894 823025007 /nfs/dbraw/zinc/02/50/07/823025007.db2.gz HHKGMBPIJIHKIM-CZUORRHYSA-N -1 3 399.922 4.100 20 30 GIEDHM CC(C)(C)OC(=O)N1CCCc2c(C([O-])=C(C#N)c3ccccn3)cccc21 ZINC000123824914 823543431 /nfs/dbraw/zinc/54/34/31/823543431.db2.gz YHUJKFUJCIYZFN-QGZVFWFLSA-N -1 3 377.444 4.259 20 30 GIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(Cc1ccccc1)c1ccccc1 ZINC000060953340 823569168 /nfs/dbraw/zinc/56/91/68/823569168.db2.gz OHHILGVTANQBLT-UHFFFAOYSA-N -1 3 385.467 4.029 20 30 GIEDHM CC(C)(C)[C@H]1CCc2sc(C([O-])=C(C#N)C(=O)Nc3ccccn3)cc2C1 ZINC000125108723 823652236 /nfs/dbraw/zinc/65/22/36/823652236.db2.gz QDMYHSDINXHIRT-GJZGRUSLSA-N -1 3 381.501 4.255 20 30 GIEDHM N#CC(=C([O-])c1cnn(-c2cccc(Cl)c2)c1)c1ccc(C(F)(F)F)cn1 ZINC000125126601 823653498 /nfs/dbraw/zinc/65/34/98/823653498.db2.gz YLZAITMBVHSXEH-HNNXBMFYSA-N -1 3 390.752 4.430 20 30 GIEDHM CCc1ccc(NC(=O)C(C#N)=C([O-])c2ccn(-c3cccc(Cl)c3)n2)cc1 ZINC000125543466 823683974 /nfs/dbraw/zinc/68/39/74/823683974.db2.gz ASQLLPOSHPOHNX-GOSISDBHSA-N -1 3 392.846 4.049 20 30 GIEDHM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cccc2c1CN([C@H](C)C(C)C)C2 ZINC000462364015 823942106 /nfs/dbraw/zinc/94/21/06/823942106.db2.gz GGPJHNGHNORGSJ-MRXNPFEDSA-N -1 3 383.517 4.028 20 30 GIEDHM C=CCc1cccc(C(C)C)c1NC(=O)CCNC(=O)c1ccc(C)cc1[O-] ZINC000188064552 823180748 /nfs/dbraw/zinc/18/07/48/823180748.db2.gz DOCBIWPFSMQZTP-UHFFFAOYSA-N -1 3 380.488 4.311 20 30 GIEDHM COc1cc(C([O-])=C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)ccc1F ZINC000121580403 823210278 /nfs/dbraw/zinc/21/02/78/823210278.db2.gz DMIIOGOBIDXAFE-CYBMUJFWSA-N -1 3 381.190 4.102 20 30 GIEDHM CC(C)OC(=O)C[C@H](/N=C/c1cc(Cl)ccc1[O-])c1ccccc1[N+](=O)[O-] ZINC000016937219 818489339 /nfs/dbraw/zinc/48/93/39/818489339.db2.gz HKCPYVTZXBYSIA-XYHOIZSOSA-N -1 3 390.823 4.456 20 30 GIEDHM COc1cc(C(=O)/C=C/c2c(C)nn(-c3ccccc3)c2C)c(OC)cc1[O-] ZINC000122511016 823365232 /nfs/dbraw/zinc/36/52/32/823365232.db2.gz AEXATZZEZHQMNE-ZHACJKMWSA-N -1 3 378.428 4.108 20 30 GIEDHM C=CCn1c(SCc2noc(-c3ccccc3[O-])n2)nnc1-c1cccs1 ZINC000123143280 823469371 /nfs/dbraw/zinc/46/93/71/823469371.db2.gz ZHEYOZIMRVXLFT-UHFFFAOYSA-N -1 3 397.485 4.241 20 30 GIEDHM CCc1nc(COc2ccc(C([O-])=C(C#N)c3nc(C(C)C)cs3)cc2)no1 ZINC000177764952 823522616 /nfs/dbraw/zinc/52/26/16/823522616.db2.gz SBZFSCUHNIBWDR-OAHLLOKOSA-N -1 3 396.472 4.281 20 30 GIEDHM COc1ccc([N+](=O)[O-])c(C(=O)[N-]c2sc3c(c2C#N)[C@@H](C)[C@H](C)CC3)c1 ZINC000410990138 823529837 /nfs/dbraw/zinc/52/98/37/823529837.db2.gz VWTZGNTTXZVICO-MNOVXSKESA-N -1 3 385.445 4.475 20 30 GIEDHM CC(=O)Nc1nc(C(=O)[N-]c2sc3c(c2C#N)CC[C@@H](C(C)C)C3)cs1 ZINC000411003682 823531586 /nfs/dbraw/zinc/53/15/86/823531586.db2.gz AORZDFQLRHHUNN-LLVKDONJSA-N -1 3 388.518 4.048 20 30 GIEDHM Cc1nc(-c2ccccc2)ncc1C([O-])=C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000178084112 822312483 /nfs/dbraw/zinc/31/24/83/822312483.db2.gz IPSROFJSRYDGDM-QGZVFWFLSA-N -1 3 390.830 4.067 20 30 GIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N([C@H](C)c1ccc(Cl)cc1)C1CC1 ZINC000045397542 822383607 /nfs/dbraw/zinc/38/36/07/822383607.db2.gz OFSMCHKNBCXKLP-OAHLLOKOSA-N -1 3 397.906 4.202 20 30 GIEDHM N#CC(C(=O)Nc1ccccc1)=C([O-])c1ccn(-c2ccc(Cl)cc2Cl)n1 ZINC000179794064 822554237 /nfs/dbraw/zinc/55/42/37/822554237.db2.gz BOHSTNUOKAMYFO-CQSZACIVSA-N -1 3 399.237 4.140 20 30 GIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1c2ccccc2[C@H](C)CC1(C)C ZINC000180314280 822662056 /nfs/dbraw/zinc/66/20/56/822662056.db2.gz PYNVICAQBTYYCQ-CQSZACIVSA-N -1 3 377.488 4.115 20 30 GIEDHM Cc1ccc(OCc2ccc(C(=O)Nc3nnc(C(F)(F)F)[n-]3)o2)c(C)c1 ZINC000053797286 822848566 /nfs/dbraw/zinc/84/85/66/822848566.db2.gz KKWIJRUBDZHEMP-UHFFFAOYSA-N -1 3 380.326 4.249 20 30 GIEDHM Cc1ccc(OCc2ccc(C(=O)Nc3nc(C(F)(F)F)n[n-]3)o2)c(C)c1 ZINC000053797286 822848568 /nfs/dbraw/zinc/84/85/68/822848568.db2.gz KKWIJRUBDZHEMP-UHFFFAOYSA-N -1 3 380.326 4.249 20 30 GIEDHM Cc1ccc(OCc2ccc(C(=O)Nc3n[n-]c(C(F)(F)F)n3)o2)c(C)c1 ZINC000053797286 822848572 /nfs/dbraw/zinc/84/85/72/822848572.db2.gz KKWIJRUBDZHEMP-UHFFFAOYSA-N -1 3 380.326 4.249 20 30 GIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)[C@@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000175709873 823024911 /nfs/dbraw/zinc/02/49/11/823024911.db2.gz HHKGMBPIJIHKIM-CJNGLKHVSA-N -1 3 399.922 4.100 20 30 GIEDHM COc1ccc(-c2cncc(C([O-])=C(C#N)c3nc4ccccc4n3C)c2)cc1 ZINC000124413971 823594679 /nfs/dbraw/zinc/59/46/79/823594679.db2.gz WANXXTXQZKVWLL-LJQANCHMSA-N -1 3 382.423 4.134 20 30 GIEDHM CCCCOc1cc(OC)ccc1C([O-])=C(C#N)c1cnc2ccccc2n1 ZINC000190971270 823632577 /nfs/dbraw/zinc/63/25/77/823632577.db2.gz OLFKJLDUOMUGLL-QGZVFWFLSA-N -1 3 375.428 4.307 20 30 GIEDHM CC(C)(C)n1cc(C(=O)[N-]c2cc(C(F)(F)F)ccc2SCCC#N)nn1 ZINC000191482563 823689762 /nfs/dbraw/zinc/68/97/62/823689762.db2.gz IGLFZVYSLLOUNV-UHFFFAOYSA-N -1 3 397.426 4.310 20 30 GIEDHM CCCN(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)c1cccc2ccccc21 ZINC000063951745 823719848 /nfs/dbraw/zinc/71/98/48/823719848.db2.gz IYWLKUMKXPGEMF-UHFFFAOYSA-N -1 3 387.483 4.392 20 30 GIEDHM CCc1cc(C#N)c([N-]C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])s1 ZINC000126821394 823959561 /nfs/dbraw/zinc/95/95/61/823959561.db2.gz NYQUKLQEUIPIHV-UHFFFAOYSA-N -1 3 399.350 4.284 20 30 GIEDHM Cc1ccc(NC(=O)C/N=C/c2cc(Br)ccc2[O-])c(Cl)c1 ZINC000121472111 823190966 /nfs/dbraw/zinc/19/09/66/823190966.db2.gz DOTNHGBBURLVPF-UFWORHAWSA-N -1 3 381.657 4.174 20 30 GIEDHM CC[C@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2cc(C)cc([N+](=O)[O-])c2)cc1 ZINC000121783593 823250548 /nfs/dbraw/zinc/25/05/48/823250548.db2.gz ZDYWRPXOHQGCHA-LIRRHRJNSA-N -1 3 379.416 4.378 20 30 GIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(Cc1ccccc1)C1CCCCC1 ZINC000121971024 823286702 /nfs/dbraw/zinc/28/67/02/823286702.db2.gz DWYKWRPKQXGOPE-UHFFFAOYSA-N -1 3 391.515 4.158 20 30 GIEDHM CCCCn1ncc(C([O-])=C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)c1C ZINC000121995652 823290342 /nfs/dbraw/zinc/29/03/42/823290342.db2.gz QIQGARSTZDZLOJ-OAHLLOKOSA-N -1 3 393.274 4.260 20 30 GIEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1cc2cc(C)c(C)cc2o1 ZINC000122890958 823429672 /nfs/dbraw/zinc/42/96/72/823429672.db2.gz POSLRXOZAHWPNV-MRXNPFEDSA-N -1 3 376.412 4.410 20 30 GIEDHM C=CCNC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc([C@@H](C)CC)cc2)cc1 ZINC000029329584 820437851 /nfs/dbraw/zinc/43/78/51/820437851.db2.gz PHIMSBJFXVFJRG-HNNXBMFYSA-N -1 3 387.505 4.308 20 30 GIEDHM COc1ccc([N+](=O)[O-])c(C(=O)[N-]c2sc3c(c2C#N)[C@@H](C)C[C@H](C)C3)c1 ZINC000411011021 823533067 /nfs/dbraw/zinc/53/30/67/823533067.db2.gz LKPCUEWTHSOKLV-QWRGUYRKSA-N -1 3 385.445 4.475 20 30 GIEDHM O=C(CSCC(F)(F)F)[N-][C@@H](c1ccccc1OC(F)F)C(F)(F)F ZINC000180879045 821509527 /nfs/dbraw/zinc/50/95/27/821509527.db2.gz CTGFGIJYQMTXQL-JTQLQIEISA-N -1 3 397.287 4.303 20 30 GIEDHM Cc1ccc2oc(C([O-])=C(C#N)C(=O)Nc3ccc(Cl)cc3Cl)cc2n1 ZINC000179616389 822513530 /nfs/dbraw/zinc/51/35/30/822513530.db2.gz KHMVLAHBLIDOAH-NSHDSACASA-N -1 3 388.210 4.404 20 30 GIEDHM CCCc1c(C([O-])=C(C#N)c2nc3ccccc3s2)[nH]c(C)c1C(=O)OC ZINC000048824841 822684679 /nfs/dbraw/zinc/68/46/79/822684679.db2.gz LOBHRHAFGMMPBU-ZDUSSCGKSA-N -1 3 381.457 4.162 20 30 GIEDHM CCc1c(C([O-])=C(C#N)c2ccccn2)cnn1-c1ccc(Br)cc1 ZINC000049458342 822700921 /nfs/dbraw/zinc/70/09/21/822700921.db2.gz VIMXFOOFBFKMTP-OAHLLOKOSA-N -1 3 395.260 4.082 20 30 GIEDHM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc(Cl)c(Cl)cc1Cl ZINC000185638007 822805236 /nfs/dbraw/zinc/80/52/36/822805236.db2.gz SMIZSYXNEPRXSQ-UHFFFAOYSA-N -1 3 391.663 4.328 20 30 GIEDHM Cc1nc(-c2cccc(Cl)c2)sc1C([O-])=C(C#N)C(=O)Nc1ccccn1 ZINC000125087000 823651069 /nfs/dbraw/zinc/65/10/69/823651069.db2.gz ZNQLOYSMKWTHRN-CQSZACIVSA-N -1 3 396.859 4.128 20 30 GIEDHM CC[C@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2cccc(OC(C)C)n2)cc1 ZINC000168061809 823899364 /nfs/dbraw/zinc/89/93/64/823899364.db2.gz SMJUPIKGISLSCL-YJBOKZPZSA-N -1 3 379.460 4.343 20 30 GIEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2ccc(-c3ccc(F)cc3)o2)c1 ZINC000127067674 824010703 /nfs/dbraw/zinc/01/07/03/824010703.db2.gz XWJYTRHEHSBXQL-QGZVFWFLSA-N -1 3 378.359 4.055 20 30 GIEDHM Cc1cc(S(=O)(=O)[N-][C@H](CCC#N)c2ccccc2)sc1Br ZINC000124584194 823608563 /nfs/dbraw/zinc/60/85/63/823608563.db2.gz LMXBQZBJTUAHPM-CYBMUJFWSA-N -1 3 399.335 4.142 20 30 GIEDHM CCOC(=O)c1ccc(NC(=O)C(C#N)=C([O-])c2ccc(C(C)(C)C)s2)cc1 ZINC000121578783 823209734 /nfs/dbraw/zinc/20/97/34/823209734.db2.gz TWCTVWZPBDUPFA-HNNXBMFYSA-N -1 3 398.484 4.183 20 30 GIEDHM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2cc(C)cc([N+](=O)[O-])c2)cc1 ZINC000121772770 823247353 /nfs/dbraw/zinc/24/73/53/823247353.db2.gz LCABRVZFXNJCPB-IBGZPJMESA-N -1 3 379.416 4.207 20 30 GIEDHM Cc1nc(C(=O)[N-]c2sc3c(c2C#N)CCCC3)c(Br)s1 ZINC000459827835 823267202 /nfs/dbraw/zinc/26/72/02/823267202.db2.gz BLGODOINLMFICP-UHFFFAOYSA-N -1 3 382.308 4.278 20 30 GIEDHM Cc1oc(-c2cnn(C)c2)nc1C(=O)[N-]c1sc(-c2ccccc2)cc1C#N ZINC000176966134 823336745 /nfs/dbraw/zinc/33/67/45/823336745.db2.gz PMAXMTKTUQFLCX-UHFFFAOYSA-N -1 3 389.440 4.236 20 30 GIEDHM CC(C)(C#N)c1ccc([N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1 ZINC000026547828 820112012 /nfs/dbraw/zinc/11/20/12/820112012.db2.gz ATDHTVIGXYKDNF-UHFFFAOYSA-N -1 3 384.379 4.187 20 30 GIEDHM C=CCN(Cc1ccccc1)Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000027776515 820285230 /nfs/dbraw/zinc/28/52/30/820285230.db2.gz LCAIHTWYFIHZCV-UHFFFAOYSA-N -1 3 377.469 4.433 20 30 GIEDHM C[C@@H]1C[C@H](C)Cc2c(C#N)c([N-]C(=O)c3csc(-c4cnccn4)n3)sc21 ZINC000410979139 823527651 /nfs/dbraw/zinc/52/76/51/823527651.db2.gz MCMQLLTXMRXJGH-WDEREUQCSA-N -1 3 395.513 4.471 20 30 GIEDHM COc1ccc([N+](=O)[O-])c(C(=O)[N-]c2sc3c(c2C#N)C[C@H](C)C[C@@H]3C)c1 ZINC000410984007 823528589 /nfs/dbraw/zinc/52/85/89/823528589.db2.gz QKOCIBLWALWKND-MNOVXSKESA-N -1 3 385.445 4.475 20 30 GIEDHM C[C@H]1c2c(C#N)c([N-]C(=O)c3csc(-c4cnccn4)n3)sc2CC[C@@H]1C ZINC000410975711 823526767 /nfs/dbraw/zinc/52/67/67/823526767.db2.gz AEPBMFSWGURIAZ-WDEREUQCSA-N -1 3 395.513 4.471 20 30 GIEDHM CC(=O)Nc1nc(C(=O)[N-]c2sc3c(c2C#N)CC[C@H](C(C)C)C3)cs1 ZINC000411003685 823531597 /nfs/dbraw/zinc/53/15/97/823531597.db2.gz AORZDFQLRHHUNN-NSHDSACASA-N -1 3 388.518 4.048 20 30 GIEDHM N#CC(=C([O-])c1cnn(Cc2ccccc2)c1)c1nc2ccccc2n1C(F)F ZINC000041557961 821209822 /nfs/dbraw/zinc/20/98/22/821209822.db2.gz DPQDMQISIUHRQL-INIZCTEOSA-N -1 3 391.381 4.166 20 30 GIEDHM Cc1cc(C(C#N)=C([O-])c2cc(C(C)C)nc3c2cnn3C(C)C)nc(C)n1 ZINC000041562989 821211916 /nfs/dbraw/zinc/21/19/16/821211916.db2.gz PVZPJHZLOAOMGM-INIZCTEOSA-N -1 3 376.464 4.033 20 30 GIEDHM Cc1c(C([O-])=C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cnn1C(C)C ZINC000181254160 821720243 /nfs/dbraw/zinc/72/02/43/821720243.db2.gz OUPWICYTVTYDFQ-CQSZACIVSA-N -1 3 379.247 4.040 20 30 GIEDHM Cc1nc(-c2ccccc2)ncc1C([O-])=C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000178084125 822312728 /nfs/dbraw/zinc/31/27/28/822312728.db2.gz IPSROFJSRYDGDM-KRWDZBQOSA-N -1 3 390.830 4.067 20 30 GIEDHM N#Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c(F)c1 ZINC000178809064 822412563 /nfs/dbraw/zinc/41/25/63/822412563.db2.gz DTQLLGOKDAHCOJ-UHFFFAOYSA-N -1 3 378.734 4.170 20 30 GIEDHM C[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)c1nc(C(C)(C)C)cs1 ZINC000183652094 822506362 /nfs/dbraw/zinc/50/63/62/822506362.db2.gz WTWXUAIWHFRLMM-JTQLQIEISA-N -1 3 383.926 4.005 20 30 GIEDHM N#CC(C(=O)Nc1ccc(Cl)cc1Cl)=C([O-])c1ccc(C#N)c(Cl)c1 ZINC000123851717 823545663 /nfs/dbraw/zinc/54/56/63/823545663.db2.gz FETPOIPGRGNZGJ-GFCCVEGCSA-N -1 3 392.629 4.480 20 30 GIEDHM N#CC(C(=O)Nc1cc(Cl)cc(Cl)c1)=C([O-])c1ccc(C#N)c(Cl)c1 ZINC000123857237 823546428 /nfs/dbraw/zinc/54/64/28/823546428.db2.gz KWIIYBRJFFNALE-AWEZNQCLSA-N -1 3 392.629 4.480 20 30 GIEDHM COc1ccc(C([O-])=C(C#N)c2cnc3ccccc3n2)cc1-c1ccccn1 ZINC000190930086 823626153 /nfs/dbraw/zinc/62/61/53/823626153.db2.gz FAGSJQYNEIVKNT-QGZVFWFLSA-N -1 3 380.407 4.190 20 30 GIEDHM N#CC(=C([O-])c1cccc(NC(=O)c2cccs2)c1)c1cnc2ccccc2n1 ZINC000190969657 823632244 /nfs/dbraw/zinc/63/22/44/823632244.db2.gz VHQZLMKUVKCWMR-MRXNPFEDSA-N -1 3 398.447 4.434 20 30 GIEDHM C=CCN(Cc1cccc([N+](=O)[O-])c1)Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000063297599 823660641 /nfs/dbraw/zinc/66/06/41/823660641.db2.gz KYELGOXNXQXPCL-UHFFFAOYSA-N -1 3 390.399 4.178 20 30 GIEDHM CCOC(=O)c1sc([N-]C(=O)c2csc(CC(C)C)n2)c(C#N)c1C ZINC000063569211 823680074 /nfs/dbraw/zinc/68/00/74/823680074.db2.gz OMXBIUKUUOZENF-UHFFFAOYSA-N -1 3 377.491 4.012 20 30 GIEDHM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)c(Br)c1 ZINC000169251643 823910002 /nfs/dbraw/zinc/91/00/02/823910002.db2.gz PXNRCKMGHGVSJE-UHFFFAOYSA-N -1 3 385.670 4.083 20 30 GIEDHM CCC(CC)C(=O)N1CCC(/N=C\c2cc(Br)ccc2[O-])CC1 ZINC000126899433 823976831 /nfs/dbraw/zinc/97/68/31/823976831.db2.gz MHAOLNCSNDRIBM-NDENLUEZSA-N -1 3 381.314 4.001 20 30 GIEDHM CCC(CC)[C@@H](NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)c1cccs1 ZINC000056008058 823078341 /nfs/dbraw/zinc/07/83/41/823078341.db2.gz ZKEPSYFKYAAANU-HXUWFJFHSA-N -1 3 385.533 4.151 20 30 GIEDHM Cc1cccc(NC(=O)C(C#N)=C([O-])c2cc(C(C)C)n(-c3ccccc3)n2)c1 ZINC000121961176 823285264 /nfs/dbraw/zinc/28/52/64/823285264.db2.gz DXJJMONVOJDLBG-LJQANCHMSA-N -1 3 386.455 4.265 20 30 GIEDHM COc1cc(/C=C/C(=O)c2cccc(NC(C)=O)c2)cc(Br)c1[O-] ZINC000007744020 817906961 /nfs/dbraw/zinc/90/69/61/817906961.db2.gz KJFWTMQZADVHLG-VOTSOKGWSA-N -1 3 390.233 4.018 20 30 GIEDHM C=CCNC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000029329563 820437840 /nfs/dbraw/zinc/43/78/40/820437840.db2.gz ZDBPCUQKQOAKOP-UHFFFAOYSA-N -1 3 387.505 4.092 20 30 GIEDHM CC(C)Cn1nc(C([O-])=C(C#N)c2nc(C(C)C)cs2)c2ccccc2c1=O ZINC000177772137 823523911 /nfs/dbraw/zinc/52/39/11/823523911.db2.gz PLWCCETXJSJRJE-MRXNPFEDSA-N -1 3 394.500 4.122 20 30 GIEDHM C[C@H]1Cc2c(C#N)c([N-]C(=O)c3csc(-c4cnccn4)n3)sc2[C@H](C)C1 ZINC000410979135 823527670 /nfs/dbraw/zinc/52/76/70/823527670.db2.gz MCMQLLTXMRXJGH-GHMZBOCLSA-N -1 3 395.513 4.471 20 30 GIEDHM C[C@@H]1CCc2sc([N-]C(=O)c3ncn(-c4ccccc4)n3)c(C#N)c2[C@@H]1C ZINC000410985849 823528998 /nfs/dbraw/zinc/52/89/98/823528998.db2.gz OKIKJWVCQJILFF-CHWSQXEVSA-N -1 3 377.473 4.139 20 30 GIEDHM COc1cccc(C(=O)[N-]c2sc3c(c2C#N)[C@@H](C)[C@@H](C)CC3)c1[N+](=O)[O-] ZINC000410987418 823529167 /nfs/dbraw/zinc/52/91/67/823529167.db2.gz QSSIIAMZGZNXGS-QWRGUYRKSA-N -1 3 385.445 4.475 20 30 GIEDHM C[C@@H]1Cc2sc([N-]C(=O)c3ncn(-c4ccccc4)n3)c(C#N)c2[C@@H](C)C1 ZINC000411015493 823533906 /nfs/dbraw/zinc/53/39/06/823533906.db2.gz QPHPDDJYNGXRCH-STQMWFEESA-N -1 3 377.473 4.139 20 30 GIEDHM CC(C)n1ncc2c1nc(C1CC1)cc2C([O-])=C(C#N)c1nc2ccccc2[nH]1 ZINC000041496722 821199367 /nfs/dbraw/zinc/19/93/67/821199367.db2.gz ATWKDPFWCXLZTG-HNNXBMFYSA-N -1 3 384.443 4.256 20 30 GIEDHM Cc1ccc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)c([O-])c1O ZINC000179442054 822483532 /nfs/dbraw/zinc/48/35/32/822483532.db2.gz BGWHSLNLTHXJPO-UHFFFAOYSA-N -1 3 388.423 4.304 20 30 GIEDHM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2cncc(OC(C)C)c2)cc1 ZINC000179980341 822589735 /nfs/dbraw/zinc/58/97/35/822589735.db2.gz QIILQSQBCNCYTE-HXUWFJFHSA-N -1 3 379.460 4.173 20 30 GIEDHM Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000051266238 822752986 /nfs/dbraw/zinc/75/29/86/822752986.db2.gz FVNCRPWOKCMUHB-UHFFFAOYSA-N -1 3 398.776 4.110 20 30 GIEDHM Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000051266238 822752988 /nfs/dbraw/zinc/75/29/88/822752988.db2.gz FVNCRPWOKCMUHB-UHFFFAOYSA-N -1 3 398.776 4.110 20 30 GIEDHM CO[C@H](C)c1nc(C)c(C([O-])=C(C#N)C(=O)Nc2cccc3ccccc32)s1 ZINC000175109724 822883949 /nfs/dbraw/zinc/88/39/49/822883949.db2.gz PAUULDNATJWYLH-CJNGLKHVSA-N -1 3 393.468 4.273 20 30 GIEDHM CC(C)Cn1cc(C([O-])=C(C#N)c2nnc3n2CCCCC3)c2ccccc21 ZINC000054727344 822908107 /nfs/dbraw/zinc/90/81/07/822908107.db2.gz RCOOMMLQOQQSPQ-KRWDZBQOSA-N -1 3 375.476 4.105 20 30 GIEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2sc(-c3cccs3)nc2C)c1 ZINC000127078548 824012805 /nfs/dbraw/zinc/01/28/05/824012805.db2.gz YSDAYIBMRQQPIH-AWEZNQCLSA-N -1 3 397.481 4.150 20 30 GIEDHM CC[C@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2cc(C)cc([N+](=O)[O-])c2)cc1 ZINC000121783861 823250499 /nfs/dbraw/zinc/25/04/99/823250499.db2.gz ZDYWRPXOHQGCHA-IFXJQAMLSA-N -1 3 379.416 4.378 20 30 GIEDHM CCc1ccc(Cl)c(CC)c1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000020007086 818609177 /nfs/dbraw/zinc/60/91/77/818609177.db2.gz XRBMQXFBFCWRLB-UHFFFAOYSA-N -1 3 385.895 4.213 20 30 GIEDHM N#Cc1cc2c(nc1[N-]C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])CCCC2 ZINC000410661255 823508148 /nfs/dbraw/zinc/50/81/48/823508148.db2.gz IQCASNIQSPVPIQ-UHFFFAOYSA-N -1 3 390.321 4.011 20 30 GIEDHM C[C@@H]1Cc2c(C#N)c([N-]C(=O)c3ncn(-c4ccccc4)n3)sc2[C@@H](C)C1 ZINC000410970138 823526031 /nfs/dbraw/zinc/52/60/31/823526031.db2.gz GEZYIRJHNDQQBS-STQMWFEESA-N -1 3 377.473 4.139 20 30 GIEDHM Cc1nnc(-c2cccc(C([O-])=C(C#N)c3nc4ccccc4n3C(F)F)c2)o1 ZINC000177849264 823535977 /nfs/dbraw/zinc/53/59/77/823535977.db2.gz UDSBTVZOUPYRPP-AWEZNQCLSA-N -1 3 393.353 4.280 20 30 GIEDHM C[C@@H]1C[C@H](C)Cc2sc([N-]C(=O)c3cnc(-c4ncccn4)s3)c(C#N)c21 ZINC000411006660 823532002 /nfs/dbraw/zinc/53/20/02/823532002.db2.gz DRIRPAODILHXJK-WDEREUQCSA-N -1 3 395.513 4.471 20 30 GIEDHM CCOc1cc(C=CC(=O)c2c[nH]c3ncccc23)cc(Br)c1[O-] ZINC000123693604 823532277 /nfs/dbraw/zinc/53/22/77/823532277.db2.gz KFIJAEUHNBRMQR-AATRIKPKSA-N -1 3 387.233 4.326 20 30 GIEDHM N#CC(=C([O-])c1csc(Br)c1)c1ccc(C(F)(F)F)cn1 ZINC000041552662 821208446 /nfs/dbraw/zinc/20/84/46/821208446.db2.gz QCPZNPGGPUVGHO-VIFPVBQESA-N -1 3 375.169 4.414 20 30 GIEDHM O=C(CSC(F)(F)F)[N-][C@@H](c1ccccc1OC(F)F)C(F)(F)F ZINC000180884985 821513345 /nfs/dbraw/zinc/51/33/45/821513345.db2.gz AWZMQWRHBNAJCY-VIFPVBQESA-N -1 3 383.260 4.261 20 30 GIEDHM Cc1c(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)cnn1C(C)C ZINC000181253414 821719709 /nfs/dbraw/zinc/71/97/09/821719709.db2.gz HKCCDXHYDHNVRL-GFCCVEGCSA-N -1 3 379.247 4.040 20 30 GIEDHM Cc1c(C([O-])=C(C#N)c2ccc3ccccc3n2)cnn1-c1ccc(F)cc1F ZINC000048856052 822686478 /nfs/dbraw/zinc/68/64/78/822686478.db2.gz QQDDHUZWAFXIOJ-MRXNPFEDSA-N -1 3 388.377 4.497 20 30 GIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCCc2cccc(C(C)C)c21 ZINC000411083732 823543078 /nfs/dbraw/zinc/54/30/78/823543078.db2.gz SJGGEOABHUZYDU-UHFFFAOYSA-N -1 3 377.488 4.311 20 30 GIEDHM CCc1ccc(NC(=O)C(C#N)=C([O-])c2ccn(-c3cccc(Cl)c3)n2)cc1 ZINC000125543257 823684005 /nfs/dbraw/zinc/68/40/05/823684005.db2.gz ASQLLPOSHPOHNX-SFHVURJKSA-N -1 3 392.846 4.049 20 30 GIEDHM Cc1nc(C)c(C([O-])=C(C#N)C(=O)Nc2ccc(SC(F)F)cc2)s1 ZINC000126577968 823904133 /nfs/dbraw/zinc/90/41/33/823904133.db2.gz WQCVBDFLLCFQFY-LBPRGKRZSA-N -1 3 381.429 4.036 20 30 GIEDHM Cc1c2ccccc2oc1[C@H](C)OC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000126628033 823914624 /nfs/dbraw/zinc/91/46/24/823914624.db2.gz NHWNQMQVECSOBH-HNNXBMFYSA-N -1 3 378.428 4.155 20 30 GIEDHM CN(C(=O)c1ccncc1)c1ccc(C/N=C/c2cc(Cl)ccc2[O-])cc1 ZINC000126658116 823920897 /nfs/dbraw/zinc/92/08/97/823920897.db2.gz VXZGQKZVVPOCEC-ZVHZXABRSA-N -1 3 379.847 4.336 20 30 GIEDHM N#Cc1c2c(sc1[N-]C(=O)c1csc(-c3ncccn3)n1)CCCCC2 ZINC000126852670 823966593 /nfs/dbraw/zinc/96/65/93/823966593.db2.gz FVRJGRIQFWFCHW-UHFFFAOYSA-N -1 3 381.486 4.054 20 30 GIEDHM COC(C)(C)CS(=O)(=O)[N-]c1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 ZINC000414367932 823966702 /nfs/dbraw/zinc/96/67/02/823966702.db2.gz FTEQNRMJUXZZNX-QGZVFWFLSA-N -1 3 392.908 4.162 20 30 GIEDHM CSc1ncc(Cl)c(C(=O)[N-]c2ccccc2S[C@H](C)CC#N)n1 ZINC000170999597 824032920 /nfs/dbraw/zinc/03/29/20/824032920.db2.gz KLYKPMYPCYGJPN-SNVBAGLBSA-N -1 3 378.910 4.498 20 30 GIEDHM COc1cc(C)c(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)cc1OC ZINC000120720744 823052234 /nfs/dbraw/zinc/05/22/34/823052234.db2.gz JLUUOTJQBQBHOK-OAHLLOKOSA-N -1 3 379.441 4.021 20 30 GIEDHM Cc1cc(C([O-])=C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc([N+](=O)[O-])c1 ZINC000121780129 823249504 /nfs/dbraw/zinc/24/95/04/823249504.db2.gz MOSUJTPFJJSPQP-OAHLLOKOSA-N -1 3 392.198 4.171 20 30 GIEDHM Cc1ccc(-c2csc3ncnc([N-]N=C4C(=O)Nc5ccccc54)c23)cc1 ZINC000007861971 817942265 /nfs/dbraw/zinc/94/22/65/817942265.db2.gz GILZSHRASGZQIF-UHFFFAOYSA-N -1 3 385.452 4.435 20 30 GIEDHM Cc1ncc(CO)c(/C=N/Cc2ccc(-c3nc4ccccc4s3)o2)c1[O-] ZINC000011120493 818053833 /nfs/dbraw/zinc/05/38/33/818053833.db2.gz IZPQDGBAGAELEH-UFFVCSGVSA-N -1 3 379.441 4.077 20 30 GIEDHM C[C@H](OC(=O)c1cc(Cl)c(Cl)[n-]1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000011810654 818122634 /nfs/dbraw/zinc/12/26/34/818122634.db2.gz XEXSGIBDDSUJCJ-ZETCQYMHSA-N -1 3 386.622 4.031 20 30 GIEDHM N#Cc1ccccc1Oc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)cc1 ZINC000409867578 823330500 /nfs/dbraw/zinc/33/05/00/823330500.db2.gz AKUFDRICORDOCY-UHFFFAOYSA-N -1 3 392.436 4.086 20 30 GIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000019680515 818598261 /nfs/dbraw/zinc/59/82/61/818598261.db2.gz QRNWNKFQYLKFPS-UHFFFAOYSA-N -1 3 387.439 4.227 20 30 GIEDHM Cc1nsc([N-]C(=O)c2occc2CN2c3ccccc3C[C@H]2C)c1C#N ZINC000410811855 823515818 /nfs/dbraw/zinc/51/58/18/823515818.db2.gz MHIGWHRCOFMOKP-GFCCVEGCSA-N -1 3 378.457 4.120 20 30 GIEDHM C[C@@H]1C[C@H](C)Cc2sc([N-]C(=O)c3csc(-c4cnccn4)n3)c(C#N)c21 ZINC000411022874 823535066 /nfs/dbraw/zinc/53/50/66/823535066.db2.gz XVIKIQIRIBNTBL-WDEREUQCSA-N -1 3 395.513 4.471 20 30 GIEDHM COc1ccc(-c2nc(C)c(C([O-])=C(C#N)c3ccccn3)s2)cc1OC ZINC000041492686 821197423 /nfs/dbraw/zinc/19/74/23/821197423.db2.gz AJBYHQCFGKQHFL-AWEZNQCLSA-N -1 3 379.441 4.021 20 30 GIEDHM CC(C)n1ncc2c1nc(C1CC1)cc2C([O-])=C(C#N)c1nc2ccccc2[nH]1 ZINC000041496719 821199399 /nfs/dbraw/zinc/19/93/99/821199399.db2.gz ATWKDPFWCXLZTG-OAHLLOKOSA-N -1 3 384.443 4.256 20 30 GIEDHM Cc1ccc(-c2csc(C(C#N)=C([O-])c3ccc(Cn4cncn4)cc3)n2)cc1 ZINC000041512085 821201858 /nfs/dbraw/zinc/20/18/58/821201858.db2.gz QARXGLQOLZUGCD-IBGZPJMESA-N -1 3 399.479 4.248 20 30 GIEDHM Cc1ccc(-c2csc(C(C#N)=C([O-])c3ccc(-n4cncn4)cc3)n2)cc1 ZINC000041513229 821202507 /nfs/dbraw/zinc/20/25/07/821202507.db2.gz ZNQXZUGWSJDPQH-GOSISDBHSA-N -1 3 385.452 4.189 20 30 GIEDHM CCOc1c(Br)cc(C([O-])=C(C#N)c2nc(C)cs2)cc1OC ZINC000041521484 821204863 /nfs/dbraw/zinc/20/48/63/821204863.db2.gz WXWOFDVYDRLTFU-LLVKDONJSA-N -1 3 395.278 4.111 20 30 GIEDHM N#CC(=C([O-])C=Cc1ccc2c(c1)OCO2)c1nc2ccccc2n1C(F)F ZINC000051655368 822771780 /nfs/dbraw/zinc/77/17/80/822771780.db2.gz WYCVBSMDVKUUJL-IYNGYCSASA-N -1 3 381.338 4.050 20 30 GIEDHM CC#CCCCC(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000185443130 822784649 /nfs/dbraw/zinc/78/46/49/822784649.db2.gz VBDYJKMVFRLGHZ-UHFFFAOYSA-N -1 3 384.501 4.236 20 30 GIEDHM N#CC(=C([O-])c1ccc(CN2CCSCC2)cc1)c1nc2ccccc2s1 ZINC000570116033 823007138 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O=C(Nc1nc(-c2ccccn2)n[n-]1)c1cccc(OCc2cccs2)c1 ZINC000053527390 570325242 /nfs/dbraw/zinc/32/52/42/570325242.db2.gz YLXZUAQVVCVUHI-UHFFFAOYSA-N -1 3 377.429 4.144 20 30 GIEDHM O=C(Nc1n[n-]c(-c2ccccn2)n1)c1cccc(OCc2cccs2)c1 ZINC000053527390 570325246 /nfs/dbraw/zinc/32/52/46/570325246.db2.gz YLXZUAQVVCVUHI-UHFFFAOYSA-N -1 3 377.429 4.144 20 30 GIEDHM N#Cc1cc(-c2ccccc2)sc1[N-]C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000120800948 823066703 /nfs/dbraw/zinc/06/67/03/823066703.db2.gz LMOABXZQVPBREV-UHFFFAOYSA-N -1 3 394.368 4.355 20 30 GIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1CCC[C@@H](c2ccccc2)C1 ZINC000571472876 823188083 /nfs/dbraw/zinc/18/80/83/823188083.db2.gz PKVSFJOHRFZIDZ-MOPGFXCFSA-N -1 3 377.488 4.051 20 30 GIEDHM Cc1cc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc([N+](=O)[O-])c1 ZINC000121776980 823248162 /nfs/dbraw/zinc/24/81/62/823248162.db2.gz OEWGCCCLCIDJRK-CYBMUJFWSA-N -1 3 392.198 4.171 20 30 GIEDHM CC(=O)Nc1ccc(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)cc1F ZINC000572207371 823300600 /nfs/dbraw/zinc/30/06/00/823300600.db2.gz GSCOVMBECRDERB-LBPRGKRZSA-N -1 3 386.333 4.019 20 30 GIEDHM O=C1CC2(CCCCC2)CC(=O)C1=CNN=c1nc[n-]c2c3ccccc3oc21 ZINC000029003797 820382466 /nfs/dbraw/zinc/38/24/66/820382466.db2.gz YXPTZXZYYQEWMC-UHFFFAOYSA-N -1 3 390.443 4.059 20 30 GIEDHM N#Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2F)cc1Cl ZINC000410422627 823492919 /nfs/dbraw/zinc/49/29/19/823492919.db2.gz WSCIEUPPPYJTDS-UHFFFAOYSA-N -1 3 379.627 4.458 20 30 GIEDHM COC(=O)c1c(CC(C)C)csc1[N-]C(=O)c1c(F)cc(C#N)cc1F ZINC000123665684 823530058 /nfs/dbraw/zinc/53/00/58/823530058.db2.gz MHDSNNNYQXJVFN-UHFFFAOYSA-N -1 3 378.400 4.135 20 30 GIEDHM Cc1ccc(-c2csc(C(C#N)=C([O-])c3ccc(Cn4cncn4)cc3)n2)cc1 ZINC000041512089 821201979 /nfs/dbraw/zinc/20/19/79/821201979.db2.gz QARXGLQOLZUGCD-LJQANCHMSA-N -1 3 399.479 4.248 20 30 GIEDHM C[C@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)c1nc(C(C)(C)C)cs1 ZINC000184502197 822646511 /nfs/dbraw/zinc/64/65/11/822646511.db2.gz AZGILVMGRFUKHP-JTQLQIEISA-N -1 3 383.926 4.005 20 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/nfs/dbraw/zinc/60/67/72/823606772.db2.gz PCVGTQDJHXGVCW-LLVKDONJSA-N -1 3 375.302 4.378 20 30 GIEDHM N#CC(=C([O-])c1cncc(-c2ccc(Cl)cc2)c1)c1nnc2n1CCCCC2 ZINC000124635244 823612976 /nfs/dbraw/zinc/61/29/76/823612976.db2.gz JKCGCQSAJGWVID-GOSISDBHSA-N -1 3 391.862 4.210 20 30 GIEDHM CC(C)Oc1cccc(C([O-])=C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)n1 ZINC000167805677 823896003 /nfs/dbraw/zinc/89/60/03/823896003.db2.gz VSAYJIKFDUJPAZ-AWEZNQCLSA-N -1 3 392.242 4.137 20 30 GIEDHM Cc1ccc(Br)c([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)c1 ZINC000169256316 823910223 /nfs/dbraw/zinc/91/02/23/823910223.db2.gz RWXSDFCZJDYRFW-UHFFFAOYSA-N -1 3 385.670 4.083 20 30 GIEDHM CCSc1ccc(C([O-])=C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cn1 ZINC000171037102 824043999 /nfs/dbraw/zinc/04/39/99/824043999.db2.gz XJYDXHYMPOMDIR-CQSZACIVSA-N -1 3 394.283 4.462 20 30 GIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@@H]1c1cccc2ccccc21 ZINC000056363060 823136588 /nfs/dbraw/zinc/13/65/88/823136588.db2.gz VGYUPJJFWRAQBB-HSZRJFAPSA-N -1 3 399.494 4.313 20 30 GIEDHM N#CC(C(=O)Nc1ccc(Cl)cc1)=C([O-])c1cc(F)cc(C(F)(F)F)c1 ZINC000176722912 823277293 /nfs/dbraw/zinc/27/72/93/823277293.db2.gz VFBUEZSXCXRPBD-CQSZACIVSA-N -1 3 384.716 4.459 20 30 GIEDHM CC(C)c1c(C([O-])=C(C#N)c2ccccn2)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000121977316 823287756 /nfs/dbraw/zinc/28/77/56/823287756.db2.gz CJVZWDDJLNOHFY-AWEZNQCLSA-N -1 3 399.376 4.295 20 30 GIEDHM CC(C)n1ncc2c1nc(C1CC1)cc2C([O-])=C(C#N)c1nc2ccccc2n1C ZINC000122235058 823325480 /nfs/dbraw/zinc/32/54/80/823325480.db2.gz NVKNLOJVYURZHL-MRXNPFEDSA-N -1 3 398.470 4.266 20 30 GIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Oc1ccc(Cl)c2ccccc12 ZINC000019679368 818598159 /nfs/dbraw/zinc/59/81/59/818598159.db2.gz SDCROOZDVQTXBD-UHFFFAOYSA-N -1 3 380.831 4.208 20 30 GIEDHM C=CCN(CC=C)C(=O)[C@H](C)Sc1nnc([N-]c2ccccc2F)s1 ZINC000023210272 818909978 /nfs/dbraw/zinc/90/99/78/818909978.db2.gz FSVVPNUCUJWRQH-LBPRGKRZSA-N -1 3 378.498 4.102 20 30 GIEDHM C=CC[C@H](CC)NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000410132156 823398529 /nfs/dbraw/zinc/39/85/29/823398529.db2.gz VHQVATJQIMHXEE-JTQLQIEISA-N -1 3 383.673 4.029 20 30 GIEDHM CCOc1cc(/C=C2/Cc3c(cccc3O)C2=O)cc(Br)c1[O-] ZINC000058481260 823398017 /nfs/dbraw/zinc/39/80/17/823398017.db2.gz WOEUQEAVEJODJR-WDZFZDKYSA-N -1 3 375.218 4.081 20 30 GIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(Cc1cccc(F)c1)C(C)(C)C ZINC000460475553 823401857 /nfs/dbraw/zinc/40/18/57/823401857.db2.gz LOOSSHGDEMVWTQ-UHFFFAOYSA-N -1 3 383.467 4.175 20 30 GIEDHM CC(C)Cn1nc(C([O-])=C(C#N)c2nc(C(C)C)cs2)c2ccccc2c1=O ZINC000177772147 823523895 /nfs/dbraw/zinc/52/38/95/823523895.db2.gz PLWCCETXJSJRJE-INIZCTEOSA-N -1 3 394.500 4.122 20 30 GIEDHM C[C@H]1c2c(C#N)c([N-]C(=O)c3ncn(-c4ccccc4)n3)sc2CC[C@@H]1C ZINC000410985855 823529008 /nfs/dbraw/zinc/52/90/08/823529008.db2.gz OKIKJWVCQJILFF-QWHCGFSZSA-N -1 3 377.473 4.139 20 30 GIEDHM C[C@H]1Cc2c(C#N)c([N-]C(=O)c3ncn(-c4ccccc4)n3)sc2[C@@H](C)C1 ZINC000410970129 823525916 /nfs/dbraw/zinc/52/59/16/823525916.db2.gz GEZYIRJHNDQQBS-OLZOCXBDSA-N -1 3 377.473 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393.531 4.433 20 30 GIEDHM C[C@H]1Cc2sc([N-]C(=O)c3cnc(-c4ncccn4)s3)c(C#N)c2[C@H](C)C1 ZINC000411006657 823531940 /nfs/dbraw/zinc/53/19/40/823531940.db2.gz DRIRPAODILHXJK-GHMZBOCLSA-N -1 3 395.513 4.471 20 30 GIEDHM COCc1ncc(C(=O)[N-]c2sc3c(c2C#N)CC[C@H](C(C)C)C3)s1 ZINC000411008442 823532566 /nfs/dbraw/zinc/53/25/66/823532566.db2.gz SOVYAGZKHRVJSU-NSHDSACASA-N -1 3 375.519 4.236 20 30 GIEDHM C[C@@H]1Cc2sc([N-]C(=O)c3csc(-c4cnccn4)n3)c(C#N)c2[C@@H](C)C1 ZINC000411022872 823535038 /nfs/dbraw/zinc/53/50/38/823535038.db2.gz XVIKIQIRIBNTBL-QWRGUYRKSA-N -1 3 395.513 4.471 20 30 GIEDHM N#CC(=C([O-])c1cnn(Cc2ccccc2)c1)c1nc2ccccc2n1C(F)F ZINC000041557959 821209915 /nfs/dbraw/zinc/20/99/15/821209915.db2.gz DPQDMQISIUHRQL-MRXNPFEDSA-N -1 3 391.381 4.166 20 30 GIEDHM Cc1nc(C([O-])=C(C#N)C(=O)Nc2ccc(SC(F)F)cc2)c(C)s1 ZINC000178705782 822404469 /nfs/dbraw/zinc/40/44/69/822404469.db2.gz IELSCYNYVQZZAP-GFCCVEGCSA-N -1 3 381.429 4.036 20 30 GIEDHM N#CC(C(=O)Nc1ccccc1)=C([O-])c1ccn(-c2ccc(Cl)cc2Cl)n1 ZINC000179794050 822554136 /nfs/dbraw/zinc/55/41/36/822554136.db2.gz BOHSTNUOKAMYFO-AWEZNQCLSA-N -1 3 399.237 4.140 20 30 GIEDHM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2cncc(OC(C)C)c2)cc1 ZINC000179980329 822589715 /nfs/dbraw/zinc/58/97/15/822589715.db2.gz QIILQSQBCNCYTE-FQEVSTJZSA-N -1 3 379.460 4.173 20 30 GIEDHM Cc1c(C#N)cccc1NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000184236525 822600914 /nfs/dbraw/zinc/60/09/14/822600914.db2.gz OURXFWOBHANAIH-QFIPXVFZSA-N -1 3 399.450 4.072 20 30 GIEDHM CC(C)Cc1nnc([N-]C(=O)c2ccc(COc3ccccc3C#N)o2)s1 ZINC000050881002 822741750 /nfs/dbraw/zinc/74/17/50/822741750.db2.gz MFOGIBWUFMWOGT-UHFFFAOYSA-N -1 3 382.445 4.033 20 30 GIEDHM C=CCN(Cc1ccc(OC)cc1)Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000054272215 822872183 /nfs/dbraw/zinc/87/21/83/822872183.db2.gz UZLUWGMCRLXXQO-UHFFFAOYSA-N -1 3 375.428 4.278 20 30 GIEDHM CO[C@@H](C)c1nc(C)c(C([O-])=C(C#N)C(=O)Nc2cccc3ccccc32)s1 ZINC000175109707 822883909 /nfs/dbraw/zinc/88/39/09/822883909.db2.gz PAUULDNATJWYLH-XJKSGUPXSA-N -1 3 393.468 4.273 20 30 GIEDHM CC#CCCCC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000186384421 822885839 /nfs/dbraw/zinc/88/58/39/822885839.db2.gz LEFUOTUFUAFYAW-UHFFFAOYSA-N -1 3 388.464 4.067 20 30 GIEDHM COCCCOc1ccc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)cc1 ZINC000175133913 822889292 /nfs/dbraw/zinc/88/92/92/822889292.db2.gz IRGGTYIJKHFZFZ-SFHVURJKSA-N -1 3 393.468 4.110 20 30 GIEDHM CCc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ncccc3C#N)cc2C)cc1 ZINC000055588323 822982764 /nfs/dbraw/zinc/98/27/64/822982764.db2.gz ZBVLZFQFKNXPAN-UHFFFAOYSA-N -1 3 393.468 4.417 20 30 GIEDHM CCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c1 ZINC000186953671 822986144 /nfs/dbraw/zinc/98/61/44/822986144.db2.gz RJGDDRKNNKJVGF-UHFFFAOYSA-N -1 3 398.271 4.014 20 30 GIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000060943312 823568300 /nfs/dbraw/zinc/56/83/00/823568300.db2.gz SYWHEDOEGLYODG-UHFFFAOYSA-N -1 3 397.784 4.107 20 30 GIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)c1ccccc1-c1ccccc1 ZINC000064815513 823891030 /nfs/dbraw/zinc/89/10/30/823891030.db2.gz SOWZEKMXRNNDCW-UHFFFAOYSA-N -1 3 385.467 4.126 20 30 GIEDHM N#CC(C(=O)Nc1ccc(SC(F)F)cc1)=C([O-])c1cc(F)cc(F)c1 ZINC000126575252 823903605 /nfs/dbraw/zinc/90/36/05/823903605.db2.gz HWVXXFQOPFMBQC-CQSZACIVSA-N -1 3 382.338 4.241 20 30 GIEDHM N#Cc1c2c(sc1[N-]C(=O)c1csc(-c3cnccn3)n1)CCCCC2 ZINC000170840007 823986723 /nfs/dbraw/zinc/98/67/23/823986723.db2.gz RAVAUBYBLQNBJC-UHFFFAOYSA-N -1 3 381.486 4.054 20 30 GIEDHM CC(C)(C)c1nnc([N-]C(=O)c2ccc(COc3ccccc3C#N)o2)s1 ZINC000055977648 823074146 /nfs/dbraw/zinc/07/41/46/823074146.db2.gz OMTFXBHPLKYWHK-UHFFFAOYSA-N -1 3 382.445 4.132 20 30 GIEDHM COc1cc(C([O-])=C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)ccc1F ZINC000121580564 823210352 /nfs/dbraw/zinc/21/03/52/823210352.db2.gz DMIIOGOBIDXAFE-ZDUSSCGKSA-N -1 3 381.190 4.102 20 30 GIEDHM CCOc1cc(/C=C/C(=O)c2ccc(N3CCCC3=O)cc2)cc(Cl)c1[O-] ZINC000007548131 817866205 /nfs/dbraw/zinc/86/62/05/817866205.db2.gz ZGBRSOAMKLCRMY-BJMVGYQFSA-N -1 3 385.847 4.467 20 30 GIEDHM Cc1cc(C)cc(N(CCC#N)C(=O)COC(=O)c2cc(Cl)c(Cl)[n-]2)c1 ZINC000011809409 818121148 /nfs/dbraw/zinc/12/11/48/818121148.db2.gz OJAIEVNDPDYTBX-UHFFFAOYSA-N -1 3 394.258 4.042 20 30 GIEDHM COc1cc(C(=O)/C=C/c2ccc(OC)c(Br)c2)c(OC)cc1[O-] ZINC000122511960 823365204 /nfs/dbraw/zinc/36/52/04/823365204.db2.gz VNGRAMAYZQFFBI-GQCTYLIASA-N -1 3 393.233 4.077 20 30 GIEDHM C=CC[C@@H](CC)NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000410132158 823398515 /nfs/dbraw/zinc/39/85/15/823398515.db2.gz VHQVATJQIMHXEE-SNVBAGLBSA-N -1 3 383.673 4.029 20 30 GIEDHM N#Cc1cc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2F)ccc1Cl ZINC000410421245 823492226 /nfs/dbraw/zinc/49/22/26/823492226.db2.gz UXFKVHISNAFHRZ-UHFFFAOYSA-N -1 3 379.627 4.458 20 30 GIEDHM COc1csc(C([O-])=C(C#N)C(=O)Nc2ccc(SC(F)F)cc2)c1 ZINC000177596774 823498612 /nfs/dbraw/zinc/49/86/12/823498612.db2.gz IMYJXQUMDJHXLL-LBPRGKRZSA-N -1 3 382.413 4.033 20 30 GIEDHM COc1cc(C(=O)[N-]c2scc(C(C)(C)C)c2C#N)c([N+](=O)[O-])cc1OC ZINC000410924862 823522494 /nfs/dbraw/zinc/52/24/94/823522494.db2.gz FIGQVHGHXAGSHS-UHFFFAOYSA-N -1 3 389.433 4.095 20 30 GIEDHM COc1cccc(C(=O)[N-]c2sc3c(c2C#N)C[C@H](C)C[C@H]3C)c1[N+](=O)[O-] ZINC000410977222 823527208 /nfs/dbraw/zinc/52/72/08/823527208.db2.gz KPTOFJXGBYSLLZ-GHMZBOCLSA-N -1 3 385.445 4.475 20 30 GIEDHM Cc1csc(Sc2ccc(C([O-])=C(C#N)c3ccccn3)cc2[N+](=O)[O-])n1 ZINC000041493990 821197340 /nfs/dbraw/zinc/19/73/40/821197340.db2.gz HUHXIKVKUNZZOX-ZDUSSCGKSA-N -1 3 396.453 4.396 20 30 GIEDHM CC(C)n1nc(C([O-])=C(C#N)c2nc3ccccc3s2)c2ccccc2c1=O ZINC000041504845 821200530 /nfs/dbraw/zinc/20/05/30/821200530.db2.gz SLPLJAHTBAUAJW-OAHLLOKOSA-N -1 3 388.452 4.077 20 30 GIEDHM CCOc1cc(/C=C/C(=O)c2ccc(Cl)nc2)cc(Br)c1[O-] ZINC000179414333 822479320 /nfs/dbraw/zinc/47/93/20/822479320.db2.gz QSYKVCFYJGCFQU-HWKANZROSA-N -1 3 382.641 4.498 20 30 GIEDHM CC[C@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2cncc(OC(C)C)c2)cc1 ZINC000179982738 822590331 /nfs/dbraw/zinc/59/03/31/822590331.db2.gz YTSYZWNZLONTJQ-MGPUTAFESA-N -1 3 379.460 4.343 20 30 GIEDHM CC(C)NC(=O)Nc1ccccc1C([O-])=C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000048828976 822685171 /nfs/dbraw/zinc/68/51/71/822685171.db2.gz UKVPDFOIWLDVGS-AWEZNQCLSA-N -1 3 390.365 4.120 20 30 GIEDHM N#CC(=C([O-])c1cccc(OCc2cccnc2)c1)c1cnc2ccccc2n1 ZINC000190888259 823620086 /nfs/dbraw/zinc/62/00/86/823620086.db2.gz HDWSEFVEFCYMRL-LJQANCHMSA-N -1 3 380.407 4.094 20 30 GIEDHM N#CC(=C([O-])c1cccc(NC(=O)c2cccs2)c1)c1cnc2ccccc2n1 ZINC000190969672 823632145 /nfs/dbraw/zinc/63/21/45/823632145.db2.gz VHQZLMKUVKCWMR-INIZCTEOSA-N -1 3 398.447 4.434 20 30 GIEDHM C=CCn1c(SCc2cc(=O)[n-]c(C3CC3)n2)nnc1-c1ccc(C)cc1 ZINC000413003480 823699547 /nfs/dbraw/zinc/69/95/47/823699547.db2.gz XCQCRKCWXHVLBB-UHFFFAOYSA-N -1 3 379.489 4.105 20 30 GIEDHM C#CCCCCC(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000120940737 823090157 /nfs/dbraw/zinc/09/01/57/823090157.db2.gz DLOCJJVKOWLXOE-UHFFFAOYSA-N -1 3 384.501 4.236 20 30 GIEDHM N#CC(C(=O)Nc1cccc2ccccc21)=C([O-])c1coc(-c2ccccc2)n1 ZINC000121714717 823236155 /nfs/dbraw/zinc/23/61/55/823236155.db2.gz VCHBLGRARABKHS-SFHVURJKSA-N -1 3 381.391 4.456 20 30 GIEDHM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2cc(C)cc([N+](=O)[O-])c2)cc1 ZINC000121772904 823247293 /nfs/dbraw/zinc/24/72/93/823247293.db2.gz LCABRVZFXNJCPB-LJQANCHMSA-N -1 3 379.416 4.207 20 30 GIEDHM CC[C@@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2cc(C)cc([N+](=O)[O-])c2)cc1 ZINC000121783736 823250465 /nfs/dbraw/zinc/25/04/65/823250465.db2.gz ZDYWRPXOHQGCHA-AUUYWEPGSA-N -1 3 379.416 4.378 20 30 GIEDHM N#Cc1c2c(sc1[N-]C(=O)c1cnc(-c3ncccn3)s1)CCCCCC2 ZINC000121840978 823260802 /nfs/dbraw/zinc/26/08/02/823260802.db2.gz YRVNPGNIKZCUGT-UHFFFAOYSA-N -1 3 395.513 4.445 20 30 GIEDHM N#Cc1cc2c(nc1[N-]C(=O)c1cc(-c3cccc(Cl)c3)no1)CCCC2 ZINC000121983008 823288386 /nfs/dbraw/zinc/28/83/86/823288386.db2.gz BQDRMLZQKYWQER-UHFFFAOYSA-N -1 3 378.819 4.393 20 30 GIEDHM COc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3C#N)cc2)cc1 ZINC000409871958 823331942 /nfs/dbraw/zinc/33/19/42/823331942.db2.gz HJWAXTMKIAPTAS-UHFFFAOYSA-N -1 3 380.425 4.160 20 30 GIEDHM COc1csc(C([O-])=C(C#N)C(=O)Nc2ccc(SC(F)F)cc2)c1 ZINC000177596759 823498706 /nfs/dbraw/zinc/49/87/06/823498706.db2.gz IMYJXQUMDJHXLL-GFCCVEGCSA-N -1 3 382.413 4.033 20 30 GIEDHM C[C@H]1Cc2c(C#N)c([N-]C(=O)c3ncn(-c4ccccc4)n3)sc2[C@H](C)C1 ZINC000410970127 823525990 /nfs/dbraw/zinc/52/59/90/823525990.db2.gz GEZYIRJHNDQQBS-CHWSQXEVSA-N -1 3 377.473 4.139 20 30 GIEDHM C[C@@H]1CCc2sc([N-]C(=O)c3csc(-c4cnccn4)n3)c(C#N)c2[C@@H]1C ZINC000410975692 823526860 /nfs/dbraw/zinc/52/68/60/823526860.db2.gz AEPBMFSWGURIAZ-GHMZBOCLSA-N -1 3 395.513 4.471 20 30 GIEDHM Cc1cc(C(C#N)=C([O-])c2nc(-c3ccccc3)n3c2CCCCC3)nc(C)n1 ZINC000041560229 821211366 /nfs/dbraw/zinc/21/13/66/821211366.db2.gz SWEIWHJIZBNNNG-GOSISDBHSA-N -1 3 385.471 4.173 20 30 GIEDHM O=C(CSC(F)(F)F)[N-][C@H](c1ccccc1OC(F)F)C(F)(F)F ZINC000180885005 821513156 /nfs/dbraw/zinc/51/31/56/821513156.db2.gz AWZMQWRHBNAJCY-SECBINFHSA-N -1 3 383.260 4.261 20 30 GIEDHM N#CC(=C([O-])c1ccc(OC[C@H]2CCCO2)cc1)c1nc2ccccc2s1 ZINC000046706479 822507445 /nfs/dbraw/zinc/50/74/45/822507445.db2.gz NNAICMPRXKOBSJ-SJORKVTESA-N -1 3 378.453 4.344 20 30 GIEDHM CN(C)[C@@H](C/N=C/c1cc([N+](=O)[O-])ccc1[O-])c1cccc(C(F)(F)F)c1 ZINC000183872779 822539005 /nfs/dbraw/zinc/53/90/05/822539005.db2.gz YVXTXYBVSUALKP-CPHRPENTSA-N -1 3 381.354 4.041 20 30 GIEDHM CC(C)Oc1cncc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)c1 ZINC000179981454 822590041 /nfs/dbraw/zinc/59/00/41/822590041.db2.gz YYTGWDSNCVSCQC-AWEZNQCLSA-N -1 3 392.242 4.137 20 30 GIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1c2ccccc2[C@@H](C)CC1(C)C ZINC000180314298 822662083 /nfs/dbraw/zinc/66/20/83/822662083.db2.gz PYNVICAQBTYYCQ-AWEZNQCLSA-N -1 3 377.488 4.115 20 30 GIEDHM CCc1cc(C#N)c([N-]C(=O)c2ccc(Br)cc2[N+](=O)[O-])s1 ZINC000175673026 823017503 /nfs/dbraw/zinc/01/75/03/823017503.db2.gz TZRVFNJMAZKQKR-UHFFFAOYSA-N -1 3 380.223 4.105 20 30 GIEDHM N#CC(C(=O)Nc1ccc(Cl)cc1Cl)=C([O-])c1ccc(C#N)c(Cl)c1 ZINC000123851951 823545584 /nfs/dbraw/zinc/54/55/84/823545584.db2.gz FETPOIPGRGNZGJ-LBPRGKRZSA-N -1 3 392.629 4.480 20 30 GIEDHM COc1ccc(-c2cncc(C([O-])=C(C#N)c3nc4ccccc4n3C)c2)cc1 ZINC000124413775 823594624 /nfs/dbraw/zinc/59/46/24/823594624.db2.gz WANXXTXQZKVWLL-IBGZPJMESA-N -1 3 382.423 4.134 20 30 GIEDHM COc1ccc(C([O-])=C(C#N)c2cnc3ccccc3n2)c(OCC(C)C)c1 ZINC000190912179 823623226 /nfs/dbraw/zinc/62/32/26/823623226.db2.gz YSGWNPWEHVNZND-KRWDZBQOSA-N -1 3 375.428 4.163 20 30 GIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(c1ccccc1F)C1CCCC1 ZINC000461519799 823653034 /nfs/dbraw/zinc/65/30/34/823653034.db2.gz FJJLVRBGDAQCMQ-UHFFFAOYSA-N -1 3 381.451 4.323 20 30 GIEDHM CCOC(=O)c1sc2[n-]c([C@@H](C)Sc3ccc(C#N)cc3)nc(=O)c2c1C ZINC000412990055 823698389 /nfs/dbraw/zinc/69/83/89/823698389.db2.gz HGYYOQLSHYMZNE-LLVKDONJSA-N -1 3 399.497 4.195 20 30 GIEDHM N#Cc1ccccc1NC(=O)CCSc1nnc([N-]c2ccccc2F)s1 ZINC000126681164 823926018 /nfs/dbraw/zinc/92/60/18/823926018.db2.gz VIXXYSZOVYGLHE-UHFFFAOYSA-N -1 3 399.476 4.413 20 30 GIEDHM Cn1c2ccccc2nc1C(C#N)=C([O-])c1cc(Cl)ccc1OC(F)F ZINC000176517110 823226812 /nfs/dbraw/zinc/22/68/12/823226812.db2.gz KYWKFLHUHWMLSV-GFCCVEGCSA-N -1 3 375.762 4.318 20 30 GIEDHM CCc1cccc(CC)c1NC(=O)C(C#N)=C([O-])c1coc(-c2ccccc2)n1 ZINC000121699423 823233224 /nfs/dbraw/zinc/23/32/24/823233224.db2.gz IXXSTTGLEQEQER-GOSISDBHSA-N -1 3 387.439 4.428 20 30 GIEDHM N#CC(C(=O)Nc1ccc(Cl)cc1)=C([O-])c1cc(F)cc(C(F)(F)F)c1 ZINC000176722895 823277504 /nfs/dbraw/zinc/27/75/04/823277504.db2.gz VFBUEZSXCXRPBD-AWEZNQCLSA-N -1 3 384.716 4.459 20 30 GIEDHM CCOC(=O)c1sc([N-]C(=O)c2cc(F)c(F)cc2Cl)c(C#N)c1C ZINC000014596722 818253039 /nfs/dbraw/zinc/25/30/39/818253039.db2.gz YTWVOINFKWFWGW-UHFFFAOYSA-N -1 3 384.791 4.289 20 30 GIEDHM CCOc1cc(C([O-])=C(C#N)c2nc(C)cs2)ccc1OCc1cccnc1 ZINC000122303293 823335018 /nfs/dbraw/zinc/33/50/18/823335018.db2.gz GXTUVBZMNUAVJR-QGZVFWFLSA-N -1 3 393.468 4.314 20 30 GIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000057839825 823340218 /nfs/dbraw/zinc/34/02/18/823340218.db2.gz ZHGRHCQBIOSBCX-UHFFFAOYSA-N -1 3 398.677 4.395 20 30 GIEDHM CC(C)N(Cc1ccc(C#N)cc1)Cn1c(Cc2cccs2)n[n-]c1=S ZINC000058206609 823368745 /nfs/dbraw/zinc/36/87/45/823368745.db2.gz UXGRHYCJJIYFGM-UHFFFAOYSA-N -1 3 383.546 4.333 20 30 GIEDHM N#Cc1ccsc1[N-]C(=O)c1nc(-c2cccs2)n(-c2cccc(F)c2)n1 ZINC000024362699 819051130 /nfs/dbraw/zinc/05/11/30/819051130.db2.gz LZZOWUFTDFWMPX-UHFFFAOYSA-N -1 3 395.444 4.320 20 30 GIEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1cc2cc(C)c(C)cc2o1 ZINC000122890772 823429708 /nfs/dbraw/zinc/42/97/08/823429708.db2.gz POSLRXOZAHWPNV-INIZCTEOSA-N -1 3 376.412 4.410 20 30 GIEDHM COc1cccc(C(=O)[N-]c2sc3c(c2C#N)C[C@H](C)C[C@@H]3C)c1[N+](=O)[O-] ZINC000410977225 823527196 /nfs/dbraw/zinc/52/71/96/823527196.db2.gz KPTOFJXGBYSLLZ-MNOVXSKESA-N -1 3 385.445 4.475 20 30 GIEDHM COc1cccc(C(=O)[N-]c2sc3c(c2C#N)C[C@@H](C)C[C@@H]3C)c1[N+](=O)[O-] ZINC000410977227 823527247 /nfs/dbraw/zinc/52/72/47/823527247.db2.gz KPTOFJXGBYSLLZ-QWRGUYRKSA-N -1 3 385.445 4.475 20 30 GIEDHM Cc1c(C([O-])=C(C#N)c2cc(C)nc(C)n2)cnn1-c1cccc(C(F)(F)F)c1 ZINC000041560606 821211491 /nfs/dbraw/zinc/21/14/91/821211491.db2.gz XJPRFBRGYHKWFD-MRXNPFEDSA-N -1 3 399.376 4.096 20 30 GIEDHM CC(=O)c1c(C)oc2ncnc([N-]c3ncc(Cc4ccc(C#N)cc4)s3)c21 ZINC000178865817 822417564 /nfs/dbraw/zinc/41/75/64/822417564.db2.gz QJDKBJWDTIIQKO-UHFFFAOYSA-N -1 3 389.440 4.396 20 30 GIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000046151073 822444629 /nfs/dbraw/zinc/44/46/29/822444629.db2.gz XIDAGFIXGHPEEK-HXUWFJFHSA-N -1 3 397.494 4.229 20 30 GIEDHM N#CC(=C([O-])c1ccc(OC[C@H]2CCCO2)cc1)c1nc2ccccc2s1 ZINC000046706481 822507427 /nfs/dbraw/zinc/50/74/27/822507427.db2.gz NNAICMPRXKOBSJ-IAGOWNOFSA-N -1 3 378.453 4.344 20 30 GIEDHM Cc1c(C#N)cccc1NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000184236541 822600921 /nfs/dbraw/zinc/60/09/21/822600921.db2.gz OURXFWOBHANAIH-JOCHJYFZSA-N -1 3 399.450 4.072 20 30 GIEDHM N#CC(=C([O-])c1cnn(-c2ccc(Cl)cc2)c1)c1ccc(C(F)(F)F)cn1 ZINC000048829773 822685177 /nfs/dbraw/zinc/68/51/77/822685177.db2.gz INDNZJHYVMRBJW-OAHLLOKOSA-N -1 3 390.752 4.430 20 30 GIEDHM C#CCC(C)(C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000185443059 822784582 /nfs/dbraw/zinc/78/45/82/822784582.db2.gz HFSBNEDWMOMOIM-UHFFFAOYSA-N -1 3 384.501 4.092 20 30 GIEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cc(Cl)cc(C(F)(F)F)c1 ZINC000185978453 822840357 /nfs/dbraw/zinc/84/03/57/822840357.db2.gz ONELYOIJZHWXCD-UHFFFAOYSA-N -1 3 397.784 4.107 20 30 GIEDHM COCCCOc1ccc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)cc1 ZINC000175133893 822889384 /nfs/dbraw/zinc/88/93/84/822889384.db2.gz IRGGTYIJKHFZFZ-GOSISDBHSA-N -1 3 393.468 4.110 20 30 GIEDHM COc1cc(/C=C/C(=O)c2ccc(OC)c(Cn3cccn3)c2)cc(Cl)c1[O-] ZINC000175327726 822936411 /nfs/dbraw/zinc/93/64/11/822936411.db2.gz ZXAJCXKUWAILKB-GQCTYLIASA-N -1 3 398.846 4.204 20 30 GIEDHM Cc1cc(CNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)ccc1-c1ccccc1 ZINC000186870119 822971589 /nfs/dbraw/zinc/97/15/89/822971589.db2.gz DHWLUWSFMFGAHX-UHFFFAOYSA-N -1 3 399.494 4.088 20 30 GIEDHM N#CCCSc1ccccc1[N-]S(=O)(=O)C1=Cc2ccccc2OCC1 ZINC000186988811 822993110 /nfs/dbraw/zinc/99/31/10/822993110.db2.gz IGQSUVFBVSBMMN-UHFFFAOYSA-N -1 3 386.498 4.258 20 30 GIEDHM CCCc1ccc([C@H](NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C(C)C)cc1 ZINC000061225604 823585273 /nfs/dbraw/zinc/58/52/73/823585273.db2.gz ILUBUTGXSYBVIP-HSZRJFAPSA-N -1 3 393.531 4.262 20 30 GIEDHM COc1ccc(C([O-])=C(C#N)c2cnc3ccccc3n2)cc1-c1ccccn1 ZINC000190930066 823626186 /nfs/dbraw/zinc/62/61/86/823626186.db2.gz FAGSJQYNEIVKNT-KRWDZBQOSA-N -1 3 380.407 4.190 20 30 GIEDHM C=CCN(Cc1ccccc1)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000126158778 823802657 /nfs/dbraw/zinc/80/26/57/823802657.db2.gz JFRMTXXRDCFUCK-UHFFFAOYSA-N -1 3 375.266 4.053 20 30 GIEDHM C=CCOc1cccc(NC(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000165167243 823837612 /nfs/dbraw/zinc/83/76/12/823837612.db2.gz KTDWPYBOBDDOPE-UHFFFAOYSA-N -1 3 377.238 4.041 20 30 GIEDHM CC(C)Oc1cccc(C([O-])=C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)n1 ZINC000167805566 823895757 /nfs/dbraw/zinc/89/57/57/823895757.db2.gz VSAYJIKFDUJPAZ-CQSZACIVSA-N -1 3 392.242 4.137 20 30 GIEDHM O=C(Cc1csc(-c2ccc(Cl)s2)n1)Nc1nnc(C(F)(F)F)[n-]1 ZINC000057430571 823295417 /nfs/dbraw/zinc/29/54/17/823295417.db2.gz NNHFNZOQUKYYMS-UHFFFAOYSA-N -1 3 393.803 4.493 20 30 GIEDHM O=C(Cc1csc(-c2ccc(Cl)s2)n1)Nc1nc(C(F)(F)F)n[n-]1 ZINC000057430571 823295420 /nfs/dbraw/zinc/29/54/20/823295420.db2.gz NNHFNZOQUKYYMS-UHFFFAOYSA-N -1 3 393.803 4.493 20 30 GIEDHM COc1cc(C(=O)/C=C/c2cc(Br)c([O-])c(OC)c2)ccc1F ZINC000122469770 823358779 /nfs/dbraw/zinc/35/87/79/823358779.db2.gz SWNKPJWKUSZYDU-ZZXKWVIFSA-N -1 3 381.197 4.207 20 30 GIEDHM CCCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2cccc(C)c2C#N)c1 ZINC000122681156 823393460 /nfs/dbraw/zinc/39/34/60/823393460.db2.gz DZSAHZGROVTDBW-UHFFFAOYSA-N -1 3 391.880 4.060 20 30 GIEDHM CCCN(CC)c1ccc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)cn1 ZINC000122890388 823429615 /nfs/dbraw/zinc/42/96/15/823429615.db2.gz CBYCMYQRBJHDNM-OAHLLOKOSA-N -1 3 376.382 4.222 20 30 GIEDHM CN(C)c1cc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)c2ccccc2n1 ZINC000122895212 823430412 /nfs/dbraw/zinc/43/04/12/823430412.db2.gz KYHDIEGOBKKBAD-HNNXBMFYSA-N -1 3 384.361 4.205 20 30 GIEDHM O=S(=O)([N-]C1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1cccc(F)c1 ZINC000026877538 820156963 /nfs/dbraw/zinc/15/69/63/820156963.db2.gz LYVNQEYOERCKGB-IUCAKERBSA-N -1 3 393.324 4.014 20 30 GIEDHM COc1cn(-c2ccccc2)nc1C(=O)[N-]c1scc(C(C)(C)C)c1C#N ZINC000410924677 823522425 /nfs/dbraw/zinc/52/24/25/823522425.db2.gz DZWDVKFJBIOSIA-UHFFFAOYSA-N -1 3 380.473 4.364 20 30 GIEDHM Cc1nc(-c2ncccn2)sc1C(=O)[N-]c1scc(C(C)(C)C)c1C#N ZINC000410930473 823523008 /nfs/dbraw/zinc/52/30/08/823523008.db2.gz QTKVEWFOUQURMK-UHFFFAOYSA-N -1 3 383.502 4.392 20 30 GIEDHM COc1ccc([N+](=O)[O-])c(C(=O)[N-]c2sc3c(c2C#N)[C@H](C)C[C@H](C)C3)c1 ZINC000411011024 823533162 /nfs/dbraw/zinc/53/31/62/823533162.db2.gz LKPCUEWTHSOKLV-WDEREUQCSA-N -1 3 385.445 4.475 20 30 GIEDHM N#CC(=C([O-])c1csc(Br)c1)c1ccc(C(F)(F)F)cn1 ZINC000041552660 821208343 /nfs/dbraw/zinc/20/83/43/821208343.db2.gz QCPZNPGGPUVGHO-SECBINFHSA-N -1 3 375.169 4.414 20 30 GIEDHM N#Cc1cccc(-c2csc([N-]C(=O)c3c(F)c(F)cc(F)c3F)n2)c1 ZINC000178995043 822427563 /nfs/dbraw/zinc/42/75/63/822427563.db2.gz NQMXBJHMVQORQU-UHFFFAOYSA-N -1 3 377.322 4.490 20 30 GIEDHM CC(C)Oc1cncc(C([O-])=C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)c1 ZINC000179982055 822590067 /nfs/dbraw/zinc/59/00/67/822590067.db2.gz ATTCLOCKYGGJLI-MRXNPFEDSA-N -1 3 392.242 4.137 20 30 GIEDHM CCCc1c(C([O-])=C(C#N)c2nc3ccccc3s2)[nH]c(C)c1C(=O)OC ZINC000048824840 822684700 /nfs/dbraw/zinc/68/47/00/822684700.db2.gz LOBHRHAFGMMPBU-CYBMUJFWSA-N -1 3 381.457 4.162 20 30 GIEDHM N#CC(=C([O-])c1cnn(-c2ccccc2Cl)c1)c1ccc(C(F)(F)F)cn1 ZINC000050205235 822721620 /nfs/dbraw/zinc/72/16/20/822721620.db2.gz QLTAXHHRQYXVCM-ZDUSSCGKSA-N -1 3 390.752 4.430 20 30 GIEDHM CC(C)n1cc(Br)cc1C([O-])=C(C#N)c1cnc2ccccc2n1 ZINC000190975438 823633145 /nfs/dbraw/zinc/63/31/45/823633145.db2.gz HDJLQHLXUXFJRG-CYBMUJFWSA-N -1 3 383.249 4.265 20 30 GIEDHM Cc1ccc(Br)c([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c1 ZINC000164008274 823769814 /nfs/dbraw/zinc/76/98/14/823769814.db2.gz YJJGNWZBCQKPSW-UHFFFAOYSA-N -1 3 385.670 4.083 20 30 GIEDHM CC(C)Oc1cccc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)n1 ZINC000167805133 823895654 /nfs/dbraw/zinc/89/56/54/823895654.db2.gz HMLXZRHJVNRTKP-GFCCVEGCSA-N -1 3 392.242 4.137 20 30 GIEDHM CC[C@@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2cccc(OC(C)C)n2)cc1 ZINC000168061697 823899491 /nfs/dbraw/zinc/89/94/91/823899491.db2.gz SMJUPIKGISLSCL-QAPCUYQASA-N -1 3 379.460 4.343 20 30 GIEDHM Cc1nc(C)c(C([O-])=C(C#N)C(=O)Nc2ccc(SC(F)F)cc2)s1 ZINC000126577700 823904061 /nfs/dbraw/zinc/90/40/61/823904061.db2.gz WQCVBDFLLCFQFY-GFCCVEGCSA-N -1 3 381.429 4.036 20 30 GIEDHM CCCCCCCCc1nnc([N-]C(=O)c2cc([N+](=O)[O-])cnc2C)s1 ZINC000192610537 824045481 /nfs/dbraw/zinc/04/54/81/824045481.db2.gz WDWXCXOGGGRGNY-UHFFFAOYSA-N -1 3 377.470 4.305 20 30 GIEDHM