smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOC(=O)c1sc(NC(=O)c2ccnn2C(C)C)c(C#N)c1C ZINC000036701778 201788718 /nfs/dbraw/zinc/78/87/18/201788718.db2.gz YJEITSXKQNYAAJ-UHFFFAOYSA-N 0 0 346.412 3.135 50 30 EGEARN NC1=C(c2nc(-c3ccccc3)cs2)C(=O)CN1Cc1ccco1 ZINC000013548437 201900648 /nfs/dbraw/zinc/90/06/48/201900648.db2.gz FBNLMICNZBAPPK-UHFFFAOYSA-N 0 0 337.404 3.115 50 30 EGEARN COC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(C)c1 ZINC000000096517 290925621 /nfs/dbraw/zinc/92/56/21/290925621.db2.gz PXBYRRYSEDTGFD-OAHLLOKOSA-N 0 0 341.407 3.095 50 30 EGEARN Cc1ccc(CN2CCN(/N=C\c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000019773005 202019560 /nfs/dbraw/zinc/01/95/60/202019560.db2.gz RUTRRWUAQQIVOZ-ZHZULCJRSA-N 0 0 338.411 3.055 50 30 EGEARN CCc1nn(-c2cc(Oc3cc(C)cc(C)c3)nc(C)n2)c(N)c1C#N ZINC000019910313 202026832 /nfs/dbraw/zinc/02/68/32/202026832.db2.gz UDMJKDQIKRGGNX-UHFFFAOYSA-N 0 0 348.410 3.396 50 30 EGEARN CCc1c(C)nc(N)c(C#N)c1-c1cc(OC)c(OC)c(OC)c1 ZINC000020504081 202046246 /nfs/dbraw/zinc/04/62/46/202046246.db2.gz NJKIMJXJRIFWGV-UHFFFAOYSA-N 0 0 327.384 3.099 50 30 EGEARN CC(=O)/C(C(=O)Nc1ccc(C)cc1C)=C1/c2ccccc2NC1=O ZINC000030836543 202199514 /nfs/dbraw/zinc/19/95/14/202199514.db2.gz KMBKFBCMBVQNIR-ISLYRVAYSA-N 0 0 334.375 3.237 50 30 EGEARN C/C(=N/NS(=O)(=O)c1ccc(C)cc1)c1c[nH]c2ccccc12 ZINC000032578365 202227847 /nfs/dbraw/zinc/22/78/47/202227847.db2.gz OGPRUWHICIDGEX-UYRXBGFRSA-N 0 0 327.409 3.179 50 30 EGEARN C=C(C)Cn1c2scc(-c3ccc(OC)cc3)c2c(=O)n(C)c1=O ZINC000032103497 212790097 /nfs/dbraw/zinc/79/00/97/212790097.db2.gz XBNMAGJPDFBMSK-UHFFFAOYSA-N 0 0 342.420 3.013 50 30 EGEARN CCC1N=NC(=S)N1N=Cc1ccc(COc2ccccc2)o1 ZINC000036611478 202326532 /nfs/dbraw/zinc/32/65/32/202326532.db2.gz PJQBBJLQGJLDGC-LICLKQGHSA-N 0 0 328.397 3.183 50 30 EGEARN CO/N=C1/C[C@@H](C)Cc2c1c(-c1cccc(OC)c1OC)nn2C ZINC000005211819 283707644 /nfs/dbraw/zinc/70/76/44/283707644.db2.gz TZLYNSLRPHUOOK-RGWKGUTDSA-N 0 0 329.400 3.037 50 30 EGEARN COc1ccc(-c2cc3ccc(OCC#N)cc3oc2=O)cc1OC ZINC000002228248 201358407 /nfs/dbraw/zinc/35/84/07/201358407.db2.gz HRZRDNLQYSCACG-UHFFFAOYSA-N 0 0 337.331 3.380 50 30 EGEARN Cc1csc([C@@H]2CN(Cc3cn4ccccc4c3C#N)CCO2)n1 ZINC000097199338 201382604 /nfs/dbraw/zinc/38/26/04/201382604.db2.gz PVDGJNUXQXCEIU-KRWDZBQOSA-N 0 0 338.436 3.149 50 30 EGEARN CC1=C(C(=O)c2ccccc2)[C@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1 ZINC000000447973 201474951 /nfs/dbraw/zinc/47/49/51/201474951.db2.gz AOXGMTYWKUNEQY-INIZCTEOSA-N 0 0 337.335 3.106 50 30 EGEARN CC1=C(C)C(=NOC(=O)c2ccccc2)C=C(Br)C1=O ZINC000003669098 201579903 /nfs/dbraw/zinc/57/99/03/201579903.db2.gz OTYHDLWDLDAAIR-LGMDPLHJSA-N 0 0 334.169 3.397 50 30 EGEARN COc1cc(/C=C2/SC(=O)N(C(C)C)C2=O)ccc1OCC#N ZINC000004704792 201613554 /nfs/dbraw/zinc/61/35/54/201613554.db2.gz REJBIWHHEDFUDP-NTEUORMPSA-N 0 0 332.381 3.042 50 30 EGEARN CCn1cc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1C#N ZINC000072133839 203167280 /nfs/dbraw/zinc/16/72/80/203167280.db2.gz PQBXXOGTNKTSRT-UHFFFAOYSA-N 0 0 342.874 3.351 50 30 EGEARN Cc1c(CN2CCN(Cc3cccc(Cl)c3)CC2)cc(C#N)n1C ZINC000072166273 203179381 /nfs/dbraw/zinc/17/93/81/203179381.db2.gz JKRLZXMBSSDOJO-UHFFFAOYSA-N 0 0 342.874 3.176 50 30 EGEARN N#Cc1ccccc1NC(=O)c1ccc(=O)n(Cc2ccccc2)c1 ZINC000007573732 205835827 /nfs/dbraw/zinc/83/58/27/205835827.db2.gz VMXNXNKWYWLYGL-UHFFFAOYSA-N 0 0 329.359 3.021 50 30 EGEARN C=CCN1CCN(C(=O)c2c(C)onc2-c2ccccc2Cl)CC1 ZINC000013323083 211544349 /nfs/dbraw/zinc/54/43/49/211544349.db2.gz DLVVNFYGEYZWIM-UHFFFAOYSA-N 0 0 345.830 3.247 50 30 EGEARN C=CCOc1ccc(-c2nn3c(nnc3-c3ccccn3)s2)cc1 ZINC000010312389 211163238 /nfs/dbraw/zinc/16/32/38/211163238.db2.gz RLEZBGHMBKBUBW-UHFFFAOYSA-N 0 0 335.392 3.480 50 30 EGEARN C=CCNC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccco1)N2 ZINC000005043593 210373102 /nfs/dbraw/zinc/37/31/02/210373102.db2.gz OZNIKQGFKQLHMX-SKDRFNHKSA-N 0 0 340.305 3.052 50 30 EGEARN C=CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000004845108 210297541 /nfs/dbraw/zinc/29/75/41/210297541.db2.gz KUYVLBRFIIEXMG-MRXNPFEDSA-N 0 0 328.412 3.341 50 30 EGEARN C=CCN(Cc1cccc(OC)c1)C(=O)c1csc(CN(C)C)n1 ZINC000055074260 258015105 /nfs/dbraw/zinc/01/51/05/258015105.db2.gz WGVMFFIIYXCYGU-UHFFFAOYSA-N 0 0 345.468 3.042 50 30 EGEARN COc1cccc(S(=O)(=O)c2oc(-c3ccccc3)nc2C#N)c1 ZINC000334162150 258015853 /nfs/dbraw/zinc/01/58/53/258015853.db2.gz KVSGCAROGRWDOU-UHFFFAOYSA-N 0 0 340.360 3.055 50 30 EGEARN C=CCn1c(SCC(=O)Nc2ccc(C)cc2)nnc1C1CC1 ZINC000000084685 258017131 /nfs/dbraw/zinc/01/71/31/258017131.db2.gz JSHSSQRAJANSPQ-UHFFFAOYSA-N 0 0 328.441 3.381 50 30 EGEARN CCOc1cc(/C=N/NC(=S)Nc2ccc(OC)cc2)ccc1O ZINC000002544513 258049937 /nfs/dbraw/zinc/04/99/37/258049937.db2.gz IBAYUWQIQGOLBX-WOJGMQOQSA-N 0 0 345.424 3.120 50 30 EGEARN Cc1nc2n(/N=C/c3ccc([N+](=O)[O-])cc3)c3ccccc3n2c1C#N ZINC000000445024 274853025 /nfs/dbraw/zinc/85/30/25/274853025.db2.gz RNHQTNJXCDCRPD-RGVLZGJSSA-N 0 0 344.334 3.260 50 30 EGEARN CCc1nn2c(ncc(C#N)c2N)c1-c1ccc(Br)cc1 ZINC000104287512 276700753 /nfs/dbraw/zinc/70/07/53/276700753.db2.gz CMCATKFQIUCPGG-UHFFFAOYSA-N 0 0 342.200 3.005 50 30 EGEARN CN1/C(=C\c2cccc3[nH]ccc32)C(=O)c2ccccc2S1(=O)=O ZINC000009575811 277005155 /nfs/dbraw/zinc/00/51/55/277005155.db2.gz FHFLAQOYGGVIQY-WJDWOHSUSA-N 0 0 338.388 3.026 50 30 EGEARN COc1ccc2c(c1)/C(=N\N=C1/C[C@H](c3ccccc3)N=N1)C(=O)N2 ZINC000013942685 277432820 /nfs/dbraw/zinc/43/28/20/277432820.db2.gz PKMAPPYQFOSCJQ-JZRFMTABSA-N 0 0 333.351 3.347 50 30 EGEARN O=S(=O)(O[C@@H]1CC[C@H]2CC[C@H]21)c1ccc(Br)cc1 ZINC000071785343 280339113 /nfs/dbraw/zinc/33/91/13/280339113.db2.gz ICMSWNALDAFPPO-OASPWFOLSA-N 0 0 331.231 3.343 50 30 EGEARN Cc1cc(C)nc(N=C(NC(=O)C(C)(C)C)Nc2ccccc2)n1 ZINC000002291416 280455892 /nfs/dbraw/zinc/45/58/92/280455892.db2.gz GVKYUWAZDGNSMI-UHFFFAOYSA-N 0 0 325.416 3.355 50 30 EGEARN Cc1cc2c(cc1-c1cc(-c3ccc[nH]3)nc(N)c1C#N)OCCO2 ZINC000071763666 280671795 /nfs/dbraw/zinc/67/17/95/280671795.db2.gz UOBHSDHTEBKRGJ-UHFFFAOYSA-N 0 0 332.363 3.277 50 30 EGEARN COc1ccccc1N1CC(=O)C(c2nc3ccccc3s2)=C1N ZINC000000132197 452515731 /nfs/dbraw/zinc/51/57/31/452515731.db2.gz ANJZBDNILKRHEF-UHFFFAOYSA-N 0 0 337.404 3.022 50 30 EGEARN C[C@@H]1CN(c2c3c(c(C#N)c4nc5ccccc5n42)CCC3)C[C@@H](C)O1 ZINC000000183165 452528754 /nfs/dbraw/zinc/52/87/54/452528754.db2.gz ODDCOAJSJSWGGF-ZIAGYGMSSA-N 0 0 346.434 3.461 50 30 EGEARN Cc1cc(C(F)(F)F)nn1CC(=O)Nc1sc(C)c(C)c1C#N ZINC000000369025 452574757 /nfs/dbraw/zinc/57/47/57/452574757.db2.gz HPUMGDRNJOHAPV-UHFFFAOYSA-N 0 0 342.346 3.399 50 30 EGEARN COc1ccc(C(=O)c2cc(C#N)c(SCC(C)=O)nc2C)cc1 ZINC000000483399 452606354 /nfs/dbraw/zinc/60/63/54/452606354.db2.gz YVUDCTIYRFLDKR-UHFFFAOYSA-N 0 0 340.404 3.182 50 30 EGEARN C=CCN1c2ccccc2/C(=C2/SC(=S)N(C(C)C)C2=O)C1=O ZINC000002277401 452692379 /nfs/dbraw/zinc/69/23/79/452692379.db2.gz XZYACRUWRVJQDG-YPKPFQOOSA-N 0 0 344.461 3.199 50 30 EGEARN N#Cc1ccccc1C(=O)c1ccccc1I ZINC000002392636 452696263 /nfs/dbraw/zinc/69/62/63/452696263.db2.gz FWPLVAHRSRZQLB-UHFFFAOYSA-N 0 0 333.128 3.394 50 30 EGEARN Cc1ccc(C(=O)ONC(=N)c2ccc(Br)cc2)cc1 ZINC000004191378 452797474 /nfs/dbraw/zinc/79/74/74/452797474.db2.gz UISPMHKDFGTWKI-UHFFFAOYSA-N 0 0 333.185 3.235 50 30 aggregator EGEARN CCOC(=O)COc1ccc(C=C2C(=O)c3ccccc3C2=O)cc1 ZINC000004525934 452806118 /nfs/dbraw/zinc/80/61/18/452806118.db2.gz DOOCVRJRERPHRS-UHFFFAOYSA-N 0 0 336.343 3.091 50 30 EGEARN CN1c2ccc(Cl)cc2[C@](O)(CC(=O)C=Cc2ccccc2)C1=O ZINC000004555361 452808234 /nfs/dbraw/zinc/80/82/34/452808234.db2.gz WRWHPSLNOWZFCR-QRBZPYHOSA-N 0 0 341.794 3.177 50 30 EGEARN C=CCOc1ccc([C@@H]2CC(=O)N(N(C)C)C3=C2C(=O)CCC3)cc1 ZINC000004593330 452810956 /nfs/dbraw/zinc/81/09/56/452810956.db2.gz RXVRJLQMHJLNCB-INIZCTEOSA-N 0 0 340.423 3.051 50 30 EGEARN COc1cccc(CN=Nc2ncnc3sc(C)c(C)c32)c1O ZINC000004680480 452812196 /nfs/dbraw/zinc/81/21/96/452812196.db2.gz XKVWSRRBPRFHQE-FBCYGCLPSA-N 0 0 328.397 3.468 50 30 EGEARN N=C(NOC(=O)c1ccc(Br)o1)c1ccccc1Cl ZINC000004689649 452813131 /nfs/dbraw/zinc/81/31/31/452813131.db2.gz WSJCAMISEFUWHH-UHFFFAOYSA-N 0 0 343.564 3.173 50 30 EGEARN COc1cc(OC)c(/N=C/c2c(O)c(C)ncc2CO)cc1Cl ZINC000005110721 452838564 /nfs/dbraw/zinc/83/85/64/452838564.db2.gz IBDDSMYCDNQIHN-FBCYGCLPSA-N 0 0 336.775 3.009 50 30 EGEARN COc1ccc(C=NNc2nc3ccccc3[nH]2)c(OC)c1OC ZINC000005455111 452875147 /nfs/dbraw/zinc/87/51/47/452875147.db2.gz UJLHGUOSFNLMBK-VCHYOVAHSA-N 0 0 326.356 3.035 50 30 EGEARN C=CCn1c(COc2cccc3ccccc32)nn(CO)c1=S ZINC000006662258 452964248 /nfs/dbraw/zinc/96/42/48/452964248.db2.gz WAYPCOGQUZSWHF-UHFFFAOYSA-N 0 0 327.409 3.282 50 30 EGEARN N#Cc1ccc(S(=O)(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 ZINC000007055985 453027088 /nfs/dbraw/zinc/02/70/88/453027088.db2.gz UEHDFCFXVGSOJF-UHFFFAOYSA-N 0 0 342.298 3.258 50 30 EGEARN CC1(C)CC(=O)C2C(=Nc3nonc3N[C@H]2c2cccc(F)c2)C1 ZINC000012390990 453359357 /nfs/dbraw/zinc/35/93/57/453359357.db2.gz DMEFGPRJZJXBGQ-AWEZNQCLSA-N 0 0 328.347 3.431 50 30 EGEARN O=C1SC(=S)NC1=Cc1cccn1-c1cccc([N+](=O)[O-])c1 ZINC000016698632 453618828 /nfs/dbraw/zinc/61/88/28/453618828.db2.gz STDCSLQPBYNWMM-WQLSENKSSA-N 0 0 331.378 3.286 50 30 EGEARN O=C1CCCC2=C1C(c1cccc([N+](=O)[O-])c1)C1=C(CCCC1=O)N2 ZINC000019863602 453659883 /nfs/dbraw/zinc/65/98/83/453659883.db2.gz AQPOJANDYZTULW-UHFFFAOYSA-N 0 0 338.363 3.296 50 30 EGEARN N#Cc1c(N)nc(-c2ccsc2)cc1-c1cnc(N2CCCC2)nc1 ZINC000067586929 453945906 /nfs/dbraw/zinc/94/59/06/453945906.db2.gz QKNHUSLOQQZGTP-UHFFFAOYSA-N 0 0 348.435 3.321 50 30 EGEARN CCn1cc(-c2cc(-c3ccc(OC)cc3)nc(N)c2C#N)c(C)n1 ZINC000067884521 453976692 /nfs/dbraw/zinc/97/66/92/453976692.db2.gz KYYSKPLPFSORPX-UHFFFAOYSA-N 0 0 333.395 3.403 50 30 EGEARN CCn1cc(-c2cc(-c3ccc(O)c(OC)c3)nc(N)c2C#N)c(C)n1 ZINC000067965341 453985101 /nfs/dbraw/zinc/98/51/01/453985101.db2.gz MDSQJSCMUUZZNK-UHFFFAOYSA-N 0 0 349.394 3.109 50 30 EGEARN N#Cc1cccc(-c2nc([C@H]3CC(=O)N(Cc4ccccc4)C3)no2)c1 ZINC000044425232 454100689 /nfs/dbraw/zinc/10/06/89/454100689.db2.gz RRYXKLXNVHXMIT-KRWDZBQOSA-N 0 0 344.374 3.124 50 30 EGEARN CCOC(=O)c1ccccc1NC=CC(=O)c1ccc2c(c1)OCO2 ZINC000044842543 454121943 /nfs/dbraw/zinc/12/19/43/454121943.db2.gz CDQHRLLJQFAXAD-MDZDMXLPSA-N 0 0 339.347 3.401 50 30 EGEARN O=C1CCCC2=C1[C@@H](c1cccs1)c1c(=O)[nH]c(=S)[nH]c1N2 ZINC000044973863 454130527 /nfs/dbraw/zinc/13/05/27/454130527.db2.gz LYUAULAOBACAPB-LLVKDONJSA-N 0 0 331.422 3.058 50 30 EGEARN CC(C)(C)OC(=O)Nc1ccnc([C@H](C#N)C(=O)OC(C)(C)C)c1 ZINC000091352973 454430031 /nfs/dbraw/zinc/43/00/31/454430031.db2.gz GRLAGFIOBSOJCO-LBPRGKRZSA-N 0 0 333.388 3.377 50 30 EGEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(C)[C@@H]2c2ccc(F)cc2)cc1 ZINC000100259441 454464882 /nfs/dbraw/zinc/46/48/82/454464882.db2.gz VFGUOAHFLBNCIA-IBOXJLQUSA-N 0 0 325.339 3.186 50 30 EGEARN COc1ccccc1/N=C1\c2ccc([N+](=O)[O-])cc2C(=O)[C@@H]1C(C)=O ZINC000100707459 454467443 /nfs/dbraw/zinc/46/74/43/454467443.db2.gz IJZHYDGDBNTRCW-GWOGKKTRSA-N 0 0 338.319 3.126 50 30 EGEARN Cc1ccc(C#N)c(N2CC[C@]3(C2)CCCN(C2CCCC2)C3=O)n1 ZINC000091780290 454470679 /nfs/dbraw/zinc/47/06/79/454470679.db2.gz WYXGBDOLDQNFCC-FQEVSTJZSA-N 0 0 338.455 3.023 50 30 EGEARN Cc1ccc(C(=O)C2=C(O)C(=O)N[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000102927789 454527930 /nfs/dbraw/zinc/52/79/30/454527930.db2.gz PIHRJTYTXMMHQA-DPEHCCBOSA-N 0 0 327.767 3.358 50 30 EGEARN CC(=O)N[C@@H]1C[C@H](CC(C)C)O[C@H](c2ccc(C#CCCO)cc2)C1 ZINC000065372116 454555251 /nfs/dbraw/zinc/55/52/51/454555251.db2.gz ALWLOKWUOYEUNZ-HKBOAZHASA-N 0 0 343.467 3.191 50 30 EGEARN C=CCOc1cccc(CN2CCN(c3ncc(Cl)cn3)CC2)c1 ZINC000065434699 454567352 /nfs/dbraw/zinc/56/73/52/454567352.db2.gz NAHWCGZBSYTREM-UHFFFAOYSA-N 0 0 344.846 3.017 50 30 EGEARN COc1ccc(C(=O)C2=C(O)C(=O)N[C@H]2c2ccc(Cl)cc2)cc1 ZINC000104086410 454574516 /nfs/dbraw/zinc/57/45/16/454574516.db2.gz ABGGTNMUHGQYRI-IDTYTIONSA-N 0 0 343.766 3.058 50 30 EGEARN N#CC1CCN(C(=O)CO[C@@H](c2ccccc2)C(F)(F)F)CC1 ZINC000222673300 456049474 /nfs/dbraw/zinc/04/94/74/456049474.db2.gz CVBBBFXXNBTOFL-HNNXBMFYSA-N 0 0 326.318 3.069 50 30 EGEARN N#Cc1ccc(-c2cccc(C(=O)NCC3(O)CCCCC3)c2)cn1 ZINC000426632901 457865441 /nfs/dbraw/zinc/86/54/41/457865441.db2.gz PZKNFIOVRAGLNO-UHFFFAOYSA-N 0 0 335.407 3.045 50 30 EGEARN C=CCN(Cc1cccc(OCC)c1)C(=O)c1cnc(CC)nc1 ZINC000055244758 518784454 /nfs/dbraw/zinc/78/44/54/518784454.db2.gz JTSGKEAWNVAPDZ-UHFFFAOYSA-N 0 0 325.412 3.266 50 30 EGEARN C=CCN1CCN(C(=O)CCCOc2ccc(Cl)cc2C)CC1 ZINC000020352746 518861735 /nfs/dbraw/zinc/86/17/35/518861735.db2.gz NIGWVJQMZGUURQ-UHFFFAOYSA-N 0 0 336.863 3.138 50 30 EGEARN C=CC[C@@H]1CC=C[C@@H](C)N1C(=O)c1cn(Cc2ccc(F)cc2)nn1 ZINC000014953885 519106259 /nfs/dbraw/zinc/10/62/59/519106259.db2.gz VCLNKPQQQZTESA-RHSMWYFYSA-N 0 0 340.402 3.201 50 30 EGEARN CCOC(=O)/C(=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(C)=O ZINC000003066863 520391143 /nfs/dbraw/zinc/39/11/43/520391143.db2.gz GHRJGSOEZDGWOV-XNTDXEJSSA-N 0 0 329.308 3.390 50 30 EGEARN CCN1c2ccccc2[C@@](O)(CC(=O)C=CC=Cc2ccccc2)C1=O ZINC000004184221 521730871 /nfs/dbraw/zinc/73/08/71/521730871.db2.gz GMZFERDQFWXEAH-ZNLFEDBPSA-N 0 0 347.414 3.470 50 30 EGEARN COC(=O)c1sccc1N=CC(C(C)=O)C(=O)Nc1ccccc1 ZINC000100278003 522441144 /nfs/dbraw/zinc/44/11/44/522441144.db2.gz FTXDCQJWDLUMLW-RAXLEYEMSA-N 0 0 344.392 3.058 50 30 EGEARN COc1ccccc1CC(=N)NOC(=O)c1cc(Cl)ccc1OC ZINC000005012666 524367549 /nfs/dbraw/zinc/36/75/49/524367549.db2.gz UMBCYOWHFBGPSS-UHFFFAOYSA-N 0 0 348.786 3.029 50 30 EGEARN COc1ccc2[nH]cc(C[C@H](C#N)C(=O)NCCc3ccccc3)c2c1 ZINC000049547455 525494717 /nfs/dbraw/zinc/49/47/17/525494717.db2.gz ISDZXIHXINBWTH-MRXNPFEDSA-N 0 0 347.418 3.218 50 30 biogenic EGEARN Oc1ccccc1CN=Nc1ncnc2c1cnn2Cc1ccccc1 ZINC000005023718 526370000 /nfs/dbraw/zinc/37/00/00/526370000.db2.gz NZCNCXJCNRHNEL-LSHDLFTRSA-N 0 0 344.378 3.026 50 30 EGEARN Cc1nc(N2C[C@@H]3CCC[C@]3(c3nnc(C4CC4)o3)C2)ccc1C#N ZINC000685940804 550456303 /nfs/dbraw/zinc/45/63/03/550456303.db2.gz VVCRQFKOKDIGTK-KXBFYZLASA-N 0 0 335.411 3.080 50 30 EGEARN CCOC(=O)C(=NNc1ccc(SC(F)(F)F)cc1)C(C)=O ZINC000016134120 1291167422 /nfs/dbraw/zinc/16/74/22/1291167422.db2.gz XJDQHFBOMYBVAU-WQRHYEAKSA-N 0 0 334.319 3.219 50 30 EGEARN N#Cc1ccc(CCC(=O)NCc2cncc(-c3cccnc3)c2)cc1 ZINC000675008236 1298108638 /nfs/dbraw/zinc/10/86/38/1298108638.db2.gz KWQDRGJDEVFDSP-UHFFFAOYSA-N 0 0 342.402 3.264 50 30 EGEARN Cc1ccccc1[C@@H](O)CNC(=O)CC1=C(c2ccccc2)CCC1=O ZINC000952970931 1334627980 /nfs/dbraw/zinc/62/79/80/1334627980.db2.gz ICKZVVNBYGXFQV-NRFANRHFSA-N 0 0 349.430 3.351 50 30 EGEARN C=CCNC(=O)[C@@H]1CCCC[C@@H]1C(=O)NCc1c(C)cc(C)cc1C ZINC000055119808 214276308 /nfs/dbraw/zinc/27/63/08/214276308.db2.gz QDEHPLFSIJFURL-MSOLQXFVSA-N 0 0 342.483 3.337 50 30 EGEARN C=CCN1CCC[C@H]1C(=O)Nc1ccc(NC(=O)CCC)c(OC)c1 ZINC000055282644 214301257 /nfs/dbraw/zinc/30/12/57/214301257.db2.gz SSLODGIAIZVKIS-INIZCTEOSA-N 0 0 345.443 3.023 50 30 EGEARN CC(=O)c1ccc(NC2=C(N(C)C)C(=O)c3ccccc3C2=O)cc1 ZINC000004476864 210196834 /nfs/dbraw/zinc/19/68/34/210196834.db2.gz NYRNELPTSTYRAL-UHFFFAOYSA-N 0 0 334.375 3.154 50 30 EGEARN C=C(C)COc1ccccc1C(=O)N[C@@H]1C(=O)Nc2cccc(C)c21 ZINC000101388315 219125042 /nfs/dbraw/zinc/12/50/42/219125042.db2.gz BIHLBPAIPWWBIP-SFHVURJKSA-N 0 0 336.391 3.373 50 30 EGEARN C=CCN1c2ccccc2[C@@](O)(CC(=O)c2cc(C)ccc2C)C1=O ZINC000000565155 209665759 /nfs/dbraw/zinc/66/57/59/209665759.db2.gz LHAUVSPUCMLWAJ-NRFANRHFSA-N 0 0 335.403 3.297 50 30 EGEARN COC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1ccc(C)o1)C2=O ZINC000000544149 201359244 /nfs/dbraw/zinc/35/92/44/201359244.db2.gz JZWQLZSHQXSGGM-RCEBRVLHSA-N 0 0 328.320 3.145 50 30 EGEARN COc1ccc2c(c1)O/C(=C\c1ccc(OC(=O)N(C)C)cc1)C2=O ZINC000004339910 201359952 /nfs/dbraw/zinc/35/99/52/201359952.db2.gz DTHBEOPFETYDJA-YVLHZVERSA-N 0 0 339.347 3.372 50 30 EGEARN CN(C)c1ccc(/C=C2/C(=O)ON=C2c2cccc([N+](=O)[O-])c2)cc1 ZINC000000032204 201425065 /nfs/dbraw/zinc/42/50/65/201425065.db2.gz ZLGAVCDOBWWZJO-MHWRWJLKSA-N 0 0 337.335 3.005 50 30 EGEARN COc1ccc(OCc2nc(C#N)c(NCc3ccco3)o2)cc1 ZINC000000200327 201447468 /nfs/dbraw/zinc/44/74/68/201447468.db2.gz GVYYUNITSMBCKI-UHFFFAOYSA-N 0 0 325.324 3.339 50 30 EGEARN COc1ccc([C@@H]2Sc3nncn3N2Cc2ccc(C#N)cc2)cc1 ZINC000000215957 201448931 /nfs/dbraw/zinc/44/89/31/201448931.db2.gz FTDGQBYBKVZDRF-KRWDZBQOSA-N 0 0 349.419 3.101 50 30 EGEARN C[C@@H](c1cc(-c2ccccc2)n[nH]1)N(C)C(=O)c1cc(C#N)cn1C ZINC000215513020 241127686 /nfs/dbraw/zinc/12/76/86/241127686.db2.gz RCWHURMEZQWAMP-ZDUSSCGKSA-N 0 0 333.395 3.120 50 30 EGEARN CCCOc1ccc(/C=N/NS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000005431692 201650911 /nfs/dbraw/zinc/65/09/11/201650911.db2.gz BOMQHHRVFWWNGW-QGOAFFKASA-N 0 0 332.425 3.096 50 30 EGEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(F)cc1 ZINC000006138391 201674380 /nfs/dbraw/zinc/67/43/80/201674380.db2.gz ZQWHZMRDHZGSRV-QGZVFWFLSA-N 0 0 329.371 3.357 50 30 EGEARN C[C@@H](c1nncn1C)n1ccnc1-c1ccc(-c2ccccc2C#N)o1 ZINC000072157522 203175540 /nfs/dbraw/zinc/17/55/40/203175540.db2.gz IOFUZCAFMPNNOG-ZDUSSCGKSA-N 0 0 344.378 3.420 50 30 EGEARN C[C@H](c1nncn1C)n1ccnc1-c1ccc(-c2ccccc2C#N)o1 ZINC000072157525 203176045 /nfs/dbraw/zinc/17/60/45/203176045.db2.gz IOFUZCAFMPNNOG-CYBMUJFWSA-N 0 0 344.378 3.420 50 30 EGEARN Cc1ccc(C#N)c(SCC(=O)N[C@@H](C)CCc2ccccc2)n1 ZINC000072265544 203184970 /nfs/dbraw/zinc/18/49/70/203184970.db2.gz YLTLLZDNPGIHFJ-AWEZNQCLSA-N 0 0 339.464 3.491 50 30 EGEARN COc1ccc(OC)c([C@H]2CCN(C(=O)c3ccccc3C#N)C2)c1 ZINC000077321622 203379406 /nfs/dbraw/zinc/37/94/06/203379406.db2.gz CDVPQOJNLXBCDU-HNNXBMFYSA-N 0 0 336.391 3.205 50 30 EGEARN C=C(C)CSc1nc2nc3c(cc2c(=O)n1CC)COC(C)(C)C3 ZINC000000489499 205470265 /nfs/dbraw/zinc/47/02/65/205470265.db2.gz FDCKDFDNDXVNLE-UHFFFAOYSA-N 0 0 345.468 3.331 50 30 biogenic EGEARN OCc1cc(C#Cc2ccccc2)c(CO)cc1C#Cc1ccccc1 ZINC000002270738 285298586 /nfs/dbraw/zinc/29/85/86/285298586.db2.gz BNPXZGQOKZOMQD-UHFFFAOYSA-N 0 0 338.406 3.471 50 30 EGEARN COc1cc([C@@H]2CC(=O)OC3=C2C(=O)CC(C)(C)C3)cc(OC)c1O ZINC000524731413 257843368 /nfs/dbraw/zinc/84/33/68/257843368.db2.gz WQSFHKYZXFETEH-NSHDSACASA-N 0 0 346.379 3.083 50 30 biogenic EGEARN CC1(C)CC(=O)C2=C(C1)OC(=O)C[C@H]2c1coc2ccccc2c1=O ZINC000524731028 257843429 /nfs/dbraw/zinc/84/34/29/257843429.db2.gz HNEMUVMXEQXOSU-LBPRGKRZSA-N 0 0 338.359 3.467 50 30 biogenic EGEARN CCCc1nc(CN(CC)Cc2ccc(C#CC(C)(C)O)s2)no1 ZINC000055036871 258014717 /nfs/dbraw/zinc/01/47/17/258014717.db2.gz NTFPKTJEBNKTJA-UHFFFAOYSA-N 0 0 347.484 3.228 50 30 EGEARN OCC#CCSc1nnc(COc2ccc(Cl)cc2Cl)o1 ZINC000009614819 258017929 /nfs/dbraw/zinc/01/79/29/258017929.db2.gz KNVMNZUSNYXKJG-UHFFFAOYSA-N 0 0 345.207 3.043 50 30 EGEARN CCNC(=S)N/N=C/c1ccc(OCc2ccccc2)c(OC)c1 ZINC000002390795 258049473 /nfs/dbraw/zinc/04/94/73/258049473.db2.gz MQASSOLEBJZUEL-UDWIEESQSA-N 0 0 343.452 3.092 50 30 EGEARN Cc1ccc2c(c1)N(C(=O)Cn1cc(C#N)c3ccccc31)CCO2 ZINC000051319102 132181530 /nfs/dbraw/zinc/18/15/30/132181530.db2.gz OFDRIDUYJMPGRR-UHFFFAOYSA-N 0 0 331.375 3.247 50 30 EGEARN CCOC(=O)C1=C(CC)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(O)cc1 ZINC000019315207 285671225 /nfs/dbraw/zinc/67/12/25/285671225.db2.gz BQDWJUIBZHJYRR-KRWDZBQOSA-N 0 0 341.407 3.313 50 30 EGEARN C[C@@H]1CC[C@]23OC(=N)[C@](C#N)([C@@H]2C1)C(C#N)(C#N)[C@H](c1ccccc1)O3 ZINC000006851698 296753980 /nfs/dbraw/zinc/75/39/80/296753980.db2.gz GHTRPRHOWLFKPL-QJJNNQMVSA-N 0 0 346.390 3.441 50 30 EGEARN CCn1cc(C(=O)Nc2nncs2)c(=O)c2cc(Cl)ccc21 ZINC000032598228 276712910 /nfs/dbraw/zinc/71/29/10/276712910.db2.gz WWVKKWZQDJKVAA-UHFFFAOYSA-N 0 0 334.788 3.163 50 30 EGEARN C=CCOc1nc2c3c4c(sc3nc(C)n2n1)COC(C)(C)C4 ZINC000032094777 276906529 /nfs/dbraw/zinc/90/65/29/276906529.db2.gz WIQYHRIXFLPQAR-UHFFFAOYSA-N 0 0 330.413 3.064 50 30 EGEARN CN1CCc2nc3sc(C#N)c(N)c3c(-c3cccs3)c2C1 ZINC000019816442 277188833 /nfs/dbraw/zinc/18/88/33/277188833.db2.gz RHAJJYRWAQSUOQ-UHFFFAOYSA-N 0 0 326.450 3.467 50 30 aggregator EGEARN CC1(C)CC(=O)C2=C(C1)Nc1[nH][nH]c(=O)c1[C@@H]2c1nc2ccccc2[nH]1 ZINC000018195627 278184418 /nfs/dbraw/zinc/18/44/18/278184418.db2.gz FOMBPNJUOVFZHP-CQSZACIVSA-N 0 0 349.394 3.192 50 30 EGEARN CC1(C)Oc2ccc3ccc(=O)oc3c2C(=CNc2ccncc2)C1=O ZINC000013286455 278418854 /nfs/dbraw/zinc/41/88/54/278418854.db2.gz VLCHKZIXFJNTEB-KAMYIIQDSA-N 0 0 348.358 3.381 50 30 EGEARN Cc1cnn([C@H](C)C2CC2)c1NC(=O)c1ccc(C#CC(C)(C)O)o1 ZINC000055228644 293005949 /nfs/dbraw/zinc/00/59/49/293005949.db2.gz AMVZZZLAJWQEHD-CYBMUJFWSA-N 0 0 341.411 3.130 50 30 EGEARN Cc1cc(C)c(C#N)c(N2CCC[C@@]3(CCC(=O)N(C(C)C)C3)C2)n1 ZINC000077389469 301162048 /nfs/dbraw/zinc/16/20/48/301162048.db2.gz VLBRUDCEZJNNQP-HXUWFJFHSA-N 0 0 340.471 3.188 50 30 EGEARN O=S(=O)(/N=C(\c1ccccc1)N1CCCCC1)c1ccccc1 ZINC000013115131 304726718 /nfs/dbraw/zinc/72/67/18/304726718.db2.gz ZLBSWMRNLORGOF-VHEBQXMUSA-N 0 0 328.437 3.308 50 30 EGEARN Cc1ccc(OCc2nc(C#N)c(N3C[C@H](C)O[C@@H](C)C3)o2)cc1 ZINC000000108690 452510924 /nfs/dbraw/zinc/51/09/24/452510924.db2.gz STCVSAJKSOLTLV-KBPBESRZSA-N 0 0 327.384 3.047 50 30 EGEARN O=[N+]([O-])c1ccc(Cl)c(/C=N/N2CCN(c3ccccc3)CC2)c1 ZINC000000232132 452543675 /nfs/dbraw/zinc/54/36/75/452543675.db2.gz XTUDKEPBUGXXLZ-CPNJWEJPSA-N 0 0 344.802 3.404 50 30 EGEARN CC(=O)N(C(C)=O)c1nc(-c2ccccc2)cn1/N=C/c1ccccc1 ZINC000000240644 452543710 /nfs/dbraw/zinc/54/37/10/452543710.db2.gz JITLJXOHFNJCNJ-FYJGNVAPSA-N 0 0 346.390 3.332 50 30 EGEARN COc1ccc(CCn2c(N)c(C#N)c3nc4ccccc4nc32)cc1 ZINC000000390245 452578516 /nfs/dbraw/zinc/57/85/16/452578516.db2.gz ZFXJAQONEZEDLZ-UHFFFAOYSA-N 0 0 343.390 3.290 50 30 EGEARN Cc1ccc(S(=O)(=O)N/N=C/c2ccccc2C(F)(F)F)cc1 ZINC000000442000 452592835 /nfs/dbraw/zinc/59/28/35/452592835.db2.gz MKWVMGVIWURRLD-VXLYETTFSA-N 0 0 342.342 3.326 50 30 EGEARN O=c1c2[nH]c3ccccc3c2ncn1/N=C/c1ccc2ccccc2n1 ZINC000000500306 452608930 /nfs/dbraw/zinc/60/89/30/452608930.db2.gz IMJAXLPSSNXSLE-SSDVNMTOSA-N 0 0 339.358 3.308 50 30 EGEARN C=CCN1C(=O)/C(=C2\C=CC(C(F)(F)F)=CN2C)SC1=S ZINC000001193980 452645971 /nfs/dbraw/zinc/64/59/71/452645971.db2.gz LGSMVYCAIGCQKW-KTKRTIGZSA-N 0 0 332.372 3.192 50 30 EGEARN CCOC(=O)c1cs/c(=N/N=C(\C)c2ccc(Cl)cc2)n1C ZINC000001415429 452661770 /nfs/dbraw/zinc/66/17/70/452661770.db2.gz IXZULIBIAFGNBS-MBXAUKRDSA-N 0 0 337.832 3.242 50 30 EGEARN COc1ccc([C@@H]2CC(=O)OC3=C2C(=O)CC(C)(C)C3)c(OC)c1 ZINC000001422966 452663719 /nfs/dbraw/zinc/66/37/19/452663719.db2.gz FGYLHHMTHKKCAT-ZDUSSCGKSA-N 0 0 330.380 3.378 50 30 biogenic EGEARN CCCCOc1c(I)cc(C#N)cc1OC ZINC000002101986 452686660 /nfs/dbraw/zinc/68/66/60/452686660.db2.gz ZYQPCISJLYWPEV-UHFFFAOYSA-N 0 0 331.153 3.350 50 30 EGEARN N#Cc1c(NC(=O)Cc2ccc([N+](=O)[O-])cc2)sc2c1CCC2 ZINC000002199518 452690332 /nfs/dbraw/zinc/69/03/32/452690332.db2.gz UUKMHEOTQGGLHG-UHFFFAOYSA-N 0 0 327.365 3.198 50 30 EGEARN C=CCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@H]1c1cccs1 ZINC000002358017 452695308 /nfs/dbraw/zinc/69/53/08/452695308.db2.gz BHVBNDGKICISCK-AWEZNQCLSA-N 0 0 348.449 3.128 50 30 EGEARN CCCNC(=O)c1c(/N=C\c2ccc(C(F)(F)F)cc2)cnn1C ZINC000002797936 452726386 /nfs/dbraw/zinc/72/63/86/452726386.db2.gz CXJRXHDBIZOCIG-NKVSQWTQSA-N 0 0 338.333 3.329 50 30 EGEARN C=CCN1C(=O)/C(=C\c2c(F)cccc2Cl)C(C(=O)OC)=C1C ZINC000002814147 452727885 /nfs/dbraw/zinc/72/78/85/452727885.db2.gz BPNMUSFQALQMEK-XFXZXTDPSA-N 0 0 335.762 3.338 50 30 EGEARN Nc1ccc(NC2=C(N3CCCCC3)C(=O)c3ccccc3C2=O)cc1 ZINC000004008114 452791217 /nfs/dbraw/zinc/79/12/17/452791217.db2.gz LBRAFDBKAUADGR-UHFFFAOYSA-N 0 0 347.418 3.457 50 30 EGEARN CCOC(=O)C1=C(CC)NC2=C(C(=O)CCC2)[C@@H]1c1ccncc1 ZINC000004126669 452795809 /nfs/dbraw/zinc/79/58/09/452795809.db2.gz FHRKLHIAJBAWIM-INIZCTEOSA-N 0 0 326.396 3.003 50 30 EGEARN COC(=O)c1sc(N=NCc2c(F)cccc2Cl)nc1C ZINC000004422493 452803585 /nfs/dbraw/zinc/80/35/85/452803585.db2.gz LBOXDSQGROHWHH-OMCISZLKSA-N 0 0 327.768 3.477 50 30 EGEARN Cc1nc2n(n1)[C@H](c1cc(F)cc(F)c1)C1C(=O)C[C@@H](C)CC1=N2 ZINC000004488251 452805223 /nfs/dbraw/zinc/80/52/23/452805223.db2.gz MYIJKDQIDFCTBY-ZKANADHPSA-N 0 0 330.338 3.133 50 30 EGEARN CCOc1ccc(-n2nnc(C(=O)Nc3ccccc3C#N)c2C)cc1 ZINC000004511663 452807032 /nfs/dbraw/zinc/80/70/32/452807032.db2.gz MQLRYOBVPLONID-UHFFFAOYSA-N 0 0 347.378 3.098 50 30 EGEARN C=CCOc1ccc([C@H]2CC(=O)N(N(C)C)C3=C2C(=O)CCC3)cc1 ZINC000004593331 452810929 /nfs/dbraw/zinc/81/09/29/452810929.db2.gz RXVRJLQMHJLNCB-MRXNPFEDSA-N 0 0 340.423 3.051 50 30 EGEARN Cc1ccc(C(=O)ONC(=N)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000005073118 452835645 /nfs/dbraw/zinc/83/56/45/452835645.db2.gz DXVXSSHGNOLJBK-UHFFFAOYSA-N 0 0 333.731 3.034 50 30 EGEARN CCSC1=N/C(=C\c2cc3c(cc2[N+](=O)[O-])OCO3)C(=O)S1 ZINC000005151560 452839289 /nfs/dbraw/zinc/83/92/89/452839289.db2.gz WFPJOZUHIGEYJT-BAQGIRSFSA-N 0 0 338.366 3.047 50 30 EGEARN C=CCc1c(C)nc2c(-c3ccccc3)cnn2c1N1CCOCC1 ZINC000005270789 452854455 /nfs/dbraw/zinc/85/44/55/452854455.db2.gz RXNHCYOVTBWAAP-UHFFFAOYSA-N 0 0 334.423 3.270 50 30 EGEARN COc1cc2c(cc1OC)C(=CC(=O)c1ccc(Cl)nc1)NCC2 ZINC000005427077 452871275 /nfs/dbraw/zinc/87/12/75/452871275.db2.gz OTHWITIEVOJHRZ-ZROIWOOFSA-N 0 0 344.798 3.122 50 30 EGEARN Cc1[nH]c2ccccc2c1/C=N/c1sccc1C(=O)NC(N)=O ZINC000006527021 452950489 /nfs/dbraw/zinc/95/04/89/452950489.db2.gz NJFAXLOATDBMPE-QGMBQPNBSA-N 0 0 326.381 3.097 50 30 EGEARN Cc1cc(OCC(=O)ONC(=N)c2ccccc2)cc(C)c1Cl ZINC000008576163 453217007 /nfs/dbraw/zinc/21/70/07/453217007.db2.gz ZWNDWWBNOIJCHX-UHFFFAOYSA-N 0 0 332.787 3.199 50 30 EGEARN N#Cc1c(NC(=O)Cc2ccc3c(c2)OCO3)sc2c1CCC2 ZINC000009521366 453255563 /nfs/dbraw/zinc/25/55/63/453255563.db2.gz JMTHGZHGJHWDLL-UHFFFAOYSA-N 0 0 326.377 3.018 50 30 EGEARN CSc1ccc([C@H]2c3c(=O)[nH][nH]c3NC3=C2C(=O)CCC3)cc1 ZINC000012347185 453356182 /nfs/dbraw/zinc/35/61/82/453356182.db2.gz PTJSGRZVMCHBPK-CYBMUJFWSA-N 0 0 327.409 3.402 50 30 EGEARN O=C(/C=C/CCc1ccc(O)c(O)c1)CCc1ccc(O)c(O)c1 ZINC000013377934 453461491 /nfs/dbraw/zinc/46/14/91/453461491.db2.gz VWHYFMQKJYFLCC-DUXPYHPUSA-N 0 0 328.364 3.200 50 30 biogenic,in-vitro EGEARN CC(C)Cc1nnc(NC(=O)c2cc(=O)[nH]c3ccccc32)s1 ZINC000013778561 453489234 /nfs/dbraw/zinc/48/92/34/453489234.db2.gz NKXAMCVHZZBLMZ-UHFFFAOYSA-N 0 0 328.397 3.214 50 30 EGEARN C=CCc1cc(/C=C2\SC(=O)N(C)C2=O)cc(OCC)c1OC ZINC000013881006 453490588 /nfs/dbraw/zinc/49/05/88/453490588.db2.gz OXPQFUMHVLWHPB-UVTDQMKNSA-N 0 0 333.409 3.489 50 30 EGEARN O=S(=O)(N=C(Nc1nccs1)c1ccccc1)c1cccs1 ZINC000015906642 453588811 /nfs/dbraw/zinc/58/88/11/453588811.db2.gz GWLQPSSYLVWOAM-UHFFFAOYSA-N 0 0 349.462 3.452 50 30 EGEARN COc1cccc(/C=C/c2nc(C#N)c(N3C[C@@H](C)O[C@@H](C)C3)o2)c1 ZINC000016487921 453609810 /nfs/dbraw/zinc/60/98/10/453609810.db2.gz ZIUYEJDSIHAVFE-CWZTWBIVSA-N 0 0 339.395 3.339 50 30 EGEARN COc1ccc(C(=O)C2=C(O)C(=O)N[C@H]2c2ccc(Cl)cc2)cc1 ZINC000016971883 453625272 /nfs/dbraw/zinc/62/52/72/453625272.db2.gz XILJOPTZYIHMRD-HNNXBMFYSA-N 0 0 343.766 3.215 50 30 EGEARN CC1CCN(c2nc(SCCO)c(C#N)c3c2CCCC3)CC1 ZINC000020573527 453667132 /nfs/dbraw/zinc/66/71/32/453667132.db2.gz HCYYOESCDWQHLP-UHFFFAOYSA-N 0 0 331.485 3.153 50 30 EGEARN N#Cc1ccc(N2CCC[C@@](CO)(Cc3ccc(F)cc3F)C2)nc1 ZINC000067804454 453967523 /nfs/dbraw/zinc/96/75/23/453967523.db2.gz ZXVDZBIRGXWYOV-LJQANCHMSA-N 0 0 343.377 3.053 50 30 EGEARN CCN(CCc1nc2cc(C)ccc2[nH]1)C(=O)c1ccccc1C#N ZINC000055281625 453974115 /nfs/dbraw/zinc/97/41/15/453974115.db2.gz OPNDUNDARCPYSD-UHFFFAOYSA-N 0 0 332.407 3.448 50 30 EGEARN COC(=O)c1ccc(C(=O)OC)c(/N=C/c2cc(Cl)ccc2O)c1 ZINC000044835779 454121350 /nfs/dbraw/zinc/12/13/50/454121350.db2.gz MTKVAILQTQDNQB-DJKKODMXSA-N 0 0 347.754 3.369 50 30 EGEARN COc1ccc(OC)c(C[C@@H](C#N)C(=O)Nc2ccccc2OC)c1 ZINC000057524804 454134466 /nfs/dbraw/zinc/13/44/66/454134466.db2.gz XKHOBXAWZLGADE-AWEZNQCLSA-N 0 0 340.379 3.033 50 30 EGEARN C=CCOc1ccc(-c2nn3c(CN(CC)CC)nnc3s2)cc1 ZINC000071260555 454203291 /nfs/dbraw/zinc/20/32/91/454203291.db2.gz QASUXRHIOCWRQQ-UHFFFAOYSA-N 0 0 343.456 3.259 50 30 EGEARN CC(C)(C)OC(=O)N1CCC(Nc2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000091297487 454423016 /nfs/dbraw/zinc/42/30/16/454423016.db2.gz UHGKNHSNDDFAMQ-UHFFFAOYSA-N 0 0 346.387 3.278 50 30 EGEARN C[C@H]1CC(NCc2ccccc2)=CC(=O)[C@@H]1C(=O)NCc1ccccc1 ZINC000100000758 454463277 /nfs/dbraw/zinc/46/32/77/454463277.db2.gz GLBNMIOAGOTENI-HRAATJIYSA-N 0 0 348.446 3.202 50 30 EGEARN C#CCn1c2ccc(Cl)cc2s/c1=N/C(=O)c1cc(C)no1 ZINC000101135199 454469776 /nfs/dbraw/zinc/46/97/76/454469776.db2.gz AFHGDLZKNVSMJR-BMRADRMJSA-N 0 0 331.784 3.027 50 30 EGEARN CC(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc(Cl)cc1 ZINC000102432815 454505232 /nfs/dbraw/zinc/50/52/32/454505232.db2.gz IJCDYURUMCVGDX-SFKKXYGYSA-N 0 0 342.782 3.220 50 30 EGEARN C=CC[C@]1(C(=O)[O-])CCC[N@H+](Cc2cnc(CC3CCCC3)[nH]2)C1 ZINC000092062021 454511069 /nfs/dbraw/zinc/51/10/69/454511069.db2.gz IFSKGKYTJHMISS-IBGZPJMESA-N 0 0 331.460 3.385 50 30 EGEARN CC[C@@H]1c2ccsc2CCN1c1ncnc2c1cnn2CCC#N ZINC000065542862 454588426 /nfs/dbraw/zinc/58/84/26/454588426.db2.gz XXTSQCXYWOJDSS-CQSZACIVSA-N 0 0 338.440 3.315 50 30 EGEARN CC[NH+](CC)CCNC(=O)c1ccc(N=Cc2ccccc2O)cc1 ZINC000252679196 455827779 /nfs/dbraw/zinc/82/77/79/455827779.db2.gz JIIOQUBMHDSXOQ-UHFFFAOYSA-N 0 0 339.439 3.214 50 30 EGEARN CN(CCN(C)N=Cc1ccc(F)cc1)N=Cc1ccc(F)cc1 ZINC000254515048 455855710 /nfs/dbraw/zinc/85/57/10/455855710.db2.gz UWNZCQKEYMUFLY-UHFFFAOYSA-N 0 0 330.382 3.196 50 30 EGEARN C=CCOc1cccc(C(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000223254260 456054635 /nfs/dbraw/zinc/05/46/35/456054635.db2.gz AGFUPIOIMDPISP-UHFFFAOYSA-N 0 0 341.319 3.199 50 30 EGEARN N#Cc1ccc(CCC(=O)NCc2ccnc(-c3cccnc3)c2)cc1 ZINC000225640099 456099553 /nfs/dbraw/zinc/09/95/53/456099553.db2.gz ZBUDUYHLEMAZSR-UHFFFAOYSA-N 0 0 342.402 3.264 50 30 EGEARN CCN(CCOC)C(=O)c1cccc(-c2ccc(F)c(C#N)c2)c1 ZINC000426522830 457849686 /nfs/dbraw/zinc/84/96/86/457849686.db2.gz AYUIQLZFNAQADV-UHFFFAOYSA-N 0 0 326.371 3.473 50 30 EGEARN Cc1nc([C@H]2CCOC2)cc(N2CCC(C#N)(c3ccccc3)CC2)n1 ZINC000426634319 457866890 /nfs/dbraw/zinc/86/68/90/457866890.db2.gz PTPIMYYFYRZJOA-KRWDZBQOSA-N 0 0 348.450 3.351 50 30 EGEARN COc1cc([C@@H]2CC(=O)OC3=C2C(=O)CC(C)(C)C3)cc2c1OCO2 ZINC000524729421 459384367 /nfs/dbraw/zinc/38/43/67/459384367.db2.gz STQDWYRQIYTPLT-NSHDSACASA-N 0 0 344.363 3.098 50 30 biogenic EGEARN Cc1ccc2[nH]c(CCCNC(=O)N3CCC(C#N)CC3)nc2c1C ZINC000584896514 459820897 /nfs/dbraw/zinc/82/08/97/459820897.db2.gz KOXZQJPKNKLSPN-UHFFFAOYSA-N 0 0 339.443 3.058 50 30 EGEARN Cc1ccc(C(=O)N2CCC[C@@H](Oc3cc(C#N)ccn3)C2)cc1C ZINC000575614338 459983467 /nfs/dbraw/zinc/98/34/67/459983467.db2.gz ZNSAKWYMQQPTIV-GOSISDBHSA-N 0 0 335.407 3.254 50 30 EGEARN C=CCN(Cc1ccc(C)s1)C(=O)CCC(=O)NC1CCCC1 ZINC000055414640 518779273 /nfs/dbraw/zinc/77/92/73/518779273.db2.gz HKTAUCJZKUBELV-UHFFFAOYSA-N 0 0 334.485 3.410 50 30 EGEARN CCCCCCCCCNC(=O)c1c(O)c2c([nH]c1=O)CCCC2 ZINC000001835685 520027382 /nfs/dbraw/zinc/02/73/82/520027382.db2.gz HSDGTOKKHLDBHL-UHFFFAOYSA-N 0 0 334.460 3.440 50 30 EGEARN CC[C@@H](C(=O)ONC(=N)c1ccc(OC)c(OC)c1)c1ccccc1 ZINC000006954843 521884547 /nfs/dbraw/zinc/88/45/47/521884547.db2.gz SNPLEUKTXZKLPK-OAHLLOKOSA-N 0 0 342.395 3.061 50 30 EGEARN CO/N=C(\CSc1ccccc1OC)c1sc2ncnn2c1C ZINC000005721879 522737608 /nfs/dbraw/zinc/73/76/08/522737608.db2.gz FPUYDHUZOKIZNU-WOJGMQOQSA-N 0 0 348.453 3.251 50 30 EGEARN COc1ccc(CN=Nc2ccc3nnc(-c4ccccc4)n3n2)cc1 ZINC000004693994 523446964 /nfs/dbraw/zinc/44/69/64/523446964.db2.gz YJRCWMKFVSWZGE-DEDYPNTBSA-N 0 0 344.378 3.246 50 30 EGEARN COc1ccc(NC(=O)[C@H](C#N)Cc2ccc(OC)cc2OC)cc1 ZINC000057523315 524602267 /nfs/dbraw/zinc/60/22/67/524602267.db2.gz NQPJZAANKPHOPR-AWEZNQCLSA-N 0 0 340.379 3.033 50 30 EGEARN S=C1N=NCN1N=Cc1ccc(COc2ccccc2Cl)o1 ZINC000036611084 526391363 /nfs/dbraw/zinc/39/13/63/526391363.db2.gz CVBXBYKFMMNWBZ-REZTVBANSA-N 0 0 334.788 3.274 50 30 EGEARN Cn1ncc(C2CC2)c1/C=C/C(=O)c1nc(Br)cs1 ZINC000685940890 550456375 /nfs/dbraw/zinc/45/63/75/550456375.db2.gz YZPHMAHGGXUQKN-SNAWJCMRSA-N 0 0 338.230 3.413 50 30 EGEARN C=CCc1cc(C(=O)N[C@H](C)c2nncn2C(C)C)ccc1OC ZINC000820505699 1319902146 /nfs/dbraw/zinc/90/21/46/1319902146.db2.gz WCZFSPDWDXOZMA-CYBMUJFWSA-N 0 0 328.416 3.087 50 30 EGEARN CCOc1cc(/C=C2/C(=O)c3ccc([N+](=O)[O-])cc3C2=O)ccc1O ZINC001772493190 1441416041 /nfs/dbraw/zinc/41/60/41/1441416041.db2.gz MXAGVLKYXLFIAX-AUWJEWJLSA-N 0 0 339.303 3.162 50 30 EGEARN C[C@@H](O)c1nc2cc(-n3ccnc3-c3ccccc3C#N)ccc2n1C ZINC001772810218 1441417529 /nfs/dbraw/zinc/41/75/29/1441417529.db2.gz JDHSXHHBCRIVLV-CYBMUJFWSA-N 0 0 343.390 3.351 50 30 EGEARN C=CCOC(=O)C1C(C)=Nc2ncnn2[C@@H]1c1ccc(SC)cc1 ZINC000004716220 210258021 /nfs/dbraw/zinc/25/80/21/210258021.db2.gz PQBMBUPOEWRRHC-OAHLLOKOSA-N 0 0 342.424 3.018 50 30 EGEARN C=CCNc1ccccc1C(=O)N(C)C[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000055211483 214290052 /nfs/dbraw/zinc/29/00/52/214290052.db2.gz FHNURELCTQVGLO-HNNXBMFYSA-N 0 0 343.471 3.004 50 30 EGEARN COc1cccc(/C=N/N=c2/scc(-c3cccc(O)c3)n2C)c1 ZINC000004475494 210196374 /nfs/dbraw/zinc/19/63/74/210196374.db2.gz ZKYNWXPZPITZCX-DSTXHIGZSA-N 0 0 339.420 3.403 50 30 EGEARN COC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(C)cc1 ZINC000000203541 290925470 /nfs/dbraw/zinc/92/54/70/290925470.db2.gz KOUZONRKPDKPHU-HNNXBMFYSA-N 0 0 341.407 3.095 50 30 EGEARN C#CCOc1ccc(/C=C2\NC(=S)N(C3CCCCC3)C2=O)cc1 ZINC000002128337 209822458 /nfs/dbraw/zinc/82/24/58/209822458.db2.gz RTCRSTKYXZLZAP-LGMDPLHJSA-N 0 0 340.448 3.089 50 30 EGEARN N#Cc1c(N)n(-c2ccc3nsnc3c2)c2nc3ccccc3nc12 ZINC000020841998 283076899 /nfs/dbraw/zinc/07/68/99/283076899.db2.gz OUJIDFKRPYRSBP-UHFFFAOYSA-N 0 0 343.375 3.032 50 30 EGEARN CN(C)/N=C(\C[C@H]1OC(=O)c2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000025574597 202133039 /nfs/dbraw/zinc/13/30/39/202133039.db2.gz YETXSPHHBAWZMS-VXNZKSKFSA-N 0 0 339.351 3.162 50 30 EGEARN COc1ncccc1-n1ccnc1-c1ccc(C#CC(C)(C)O)s1 ZINC000072144584 216031178 /nfs/dbraw/zinc/03/11/78/216031178.db2.gz QEUIXPPDWLPCMO-UHFFFAOYSA-N 0 0 339.420 3.127 50 30 EGEARN OCCC#Cc1ccc(-c2nccn2-c2ccc3c[nH]nc3c2)cc1 ZINC000067919912 202368026 /nfs/dbraw/zinc/36/80/26/202368026.db2.gz LKRNJJKOCPEBFI-UHFFFAOYSA-N 0 0 328.375 3.150 50 30 EGEARN N#Cc1ccc(S(=O)(=O)Oc2c(F)c(F)c(F)c(F)c2F)cc1 ZINC000003883618 201583034 /nfs/dbraw/zinc/58/30/34/201583034.db2.gz HKXQPGWUQBZUIK-UHFFFAOYSA-N 0 0 349.236 3.021 50 30 EGEARN CCCn1cc(-c2cc(-c3cc(CC)[nH]n3)c(C#N)c(N)n2)c(C)n1 ZINC000071498120 203098444 /nfs/dbraw/zinc/09/84/44/203098444.db2.gz YIYJZLNMBVPQTF-UHFFFAOYSA-N 0 0 335.415 3.070 50 30 EGEARN CC1(c2cc(-c3ccc(Cn4cccn4)cc3)c(C#N)c(N)n2)CC1 ZINC000071589567 203099877 /nfs/dbraw/zinc/09/98/77/203099877.db2.gz TUCPHGWWXWSPQN-UHFFFAOYSA-N 0 0 329.407 3.499 50 30 EGEARN CCCOc1cccc(-c2cc(-c3cnn(C)c3)c(C#N)c(N)n2)c1 ZINC000071746180 203105229 /nfs/dbraw/zinc/10/52/29/203105229.db2.gz BNXGVRAGMQRWAZ-UHFFFAOYSA-N 0 0 333.395 3.392 50 30 EGEARN COc1cccc(/C=C/C(=O)c2ccc(N3C(=O)C=CC3=O)cc2)c1 ZINC000074941617 203297315 /nfs/dbraw/zinc/29/73/15/203297315.db2.gz SRJPVKMPXKIDDY-BJMVGYQFSA-N 0 0 333.343 3.021 50 30 EGEARN COc1cc(CO)cc(Br)c1OCc1ccccc1C#N ZINC000000470600 206241326 /nfs/dbraw/zinc/24/13/26/206241326.db2.gz NKSFIOZRDDBJNY-UHFFFAOYSA-N 0 0 348.196 3.401 50 30 EGEARN C=CCS(=O)(=O)N1CCC[C@H](CCc2c(F)cccc2F)C1 ZINC000011842993 211255206 /nfs/dbraw/zinc/25/52/06/211255206.db2.gz IXZSYTFXWAHVFO-CYBMUJFWSA-N 0 0 329.412 3.125 50 30 EGEARN C#CCOc1ccc(C(=O)Nc2ccccc2C(=O)N2CCCC2)cc1 ZINC000008570504 210967065 /nfs/dbraw/zinc/96/70/65/210967065.db2.gz OJMGXWHHCASCLJ-UHFFFAOYSA-N 0 0 348.402 3.187 50 30 EGEARN O=C1C[C@@H](c2ccccc2)CC2=Nc3nnnn3[C@H](c3ccccc3)C12 ZINC000018200743 296344866 /nfs/dbraw/zinc/34/48/66/296344866.db2.gz VZSJHKCKKLCYOC-HNAYVOBHSA-N 0 0 343.390 3.089 50 30 EGEARN O=C1N/C(=N\c2ccc(O)cc2)S/C1=C\c1ccc([N+](=O)[O-])cc1 ZINC000018061571 296354459 /nfs/dbraw/zinc/35/44/59/296354459.db2.gz GXGCBMULWZUZBM-ZROIWOOFSA-N 0 0 341.348 3.192 50 30 EGEARN N#C[C@H]1CCCN(C(=O)NCc2ccc(C(F)(F)F)cc2F)C1 ZINC000426584832 257962607 /nfs/dbraw/zinc/96/26/07/257962607.db2.gz PURLKIQKFOPWNR-SNVBAGLBSA-N 0 0 329.297 3.290 50 30 EGEARN CCOC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1ccco1)C2=O ZINC000005177375 258003048 /nfs/dbraw/zinc/00/30/48/258003048.db2.gz BNWGBZCFYUGYCP-RCEBRVLHSA-N 0 0 328.320 3.226 50 30 EGEARN C=C(C)Cn1c(CCNC(=O)COc2ccccc2)nc2ccccc21 ZINC000002721467 258046948 /nfs/dbraw/zinc/04/69/48/258046948.db2.gz LPTDLAWSHSXTPU-UHFFFAOYSA-N 0 0 349.434 3.350 50 30 EGEARN C=CCN(Cc1cccc(OC)c1)C(=O)c1snnc1C(C)C ZINC000065407834 258012105 /nfs/dbraw/zinc/01/21/05/258012105.db2.gz ZJZUCRDSDCNVAQ-UHFFFAOYSA-N 0 0 331.441 3.499 50 30 EGEARN CCOc1ccc(NC(=O)[C@@H](C#N)Cc2ccc(O)c(OC)c2)cc1 ZINC000009434709 258054038 /nfs/dbraw/zinc/05/40/38/258054038.db2.gz OUDFLYCAZMHREH-CQSZACIVSA-N 0 0 340.379 3.120 50 30 EGEARN O=C(CCCCCCCCCCCS)ON1C(=O)CCC1=O ZINC000101252549 258069090 /nfs/dbraw/zinc/06/90/90/258069090.db2.gz WDHWRJMCVWOMCM-UHFFFAOYSA-N 0 0 329.462 3.424 50 30 EGEARN Cc1ccc(C)c(OCC(=O)ONC(=N)c2ccc(Cl)cc2)c1 ZINC000008573216 262520776 /nfs/dbraw/zinc/52/07/76/262520776.db2.gz PEMPVBKJEYPTOP-UHFFFAOYSA-N 0 0 332.787 3.199 50 30 EGEARN COc1ccccc1N1CCc2nc(N)c(C#N)c(-c3ccoc3)c2C1 ZINC000072167402 278056382 /nfs/dbraw/zinc/05/63/82/278056382.db2.gz NLWBPYBTQNMPEO-UHFFFAOYSA-N 0 0 346.390 3.367 50 30 EGEARN CC[C@H]1C2=C(CC(C)(C)CC2=O)Nc2ccccc2N1CC(=O)NC ZINC000010343851 288179778 /nfs/dbraw/zinc/17/97/78/288179778.db2.gz HNASXRCHKGGYNZ-HNNXBMFYSA-N 0 0 341.455 3.086 50 30 EGEARN Cc1ccc(C(=O)/C=C2\NCCc3cc4c(cc32)OCCCO4)o1 ZINC000005354755 280760704 /nfs/dbraw/zinc/76/07/04/280760704.db2.gz DNNWDRMLHOYLIU-PTNGSMBKSA-N 0 0 325.364 3.119 50 30 EGEARN N#Cc1ccccc1NC(=O)COc1ccccc1Br ZINC000005999999 452916257 /nfs/dbraw/zinc/91/62/57/452916257.db2.gz VORVZWNTICPQKE-UHFFFAOYSA-N 0 0 331.169 3.338 50 30 EGEARN COc1ccc([C@H]2c3c(C)noc3NC3=C2C(=O)CCC3)cc1O ZINC000021660288 295252857 /nfs/dbraw/zinc/25/28/57/295252857.db2.gz JRBFYGLYLRBYDF-INIZCTEOSA-N 0 0 326.352 3.262 50 30 EGEARN O=C1c2ccccc2C(=O)C(Nc2ccc3c(c2)OCCO3)=C1Cl ZINC000000044151 452495899 /nfs/dbraw/zinc/49/58/99/452495899.db2.gz FBFXUFXQUBTIRZ-UHFFFAOYSA-N 0 0 341.750 3.399 50 30 EGEARN CCc1ccc([C@@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)CCC3)cc1 ZINC000000124000 452514353 /nfs/dbraw/zinc/51/43/53/452514353.db2.gz QUYKMFZJFSOBCB-GOSISDBHSA-N 0 0 325.408 3.390 50 30 EGEARN O=[N+]([O-])c1cccc(/C=N/N2CCN(c3ccc(Cl)cc3)CC2)c1 ZINC000000228737 452541702 /nfs/dbraw/zinc/54/17/02/452541702.db2.gz GCDNRXNIYPHICA-CPNJWEJPSA-N 0 0 344.802 3.404 50 30 EGEARN CC(=O)C1=C(O)C(=O)N(CCc2ccccc2)[C@H]1c1cccc(F)c1 ZINC000000261609 452550238 /nfs/dbraw/zinc/55/02/38/452550238.db2.gz QSYYCZZOFYLRLY-SFHVURJKSA-N 0 0 339.366 3.353 50 30 EGEARN COC(=O)Cn1cc(C=C2C(=O)c3ccccc3C2=O)c2ccccc21 ZINC000000444027 452592338 /nfs/dbraw/zinc/59/23/38/452592338.db2.gz POVCXULCRWKQMI-UHFFFAOYSA-N 0 0 345.354 3.277 50 30 EGEARN C(=N/c1nc2ccccc2n1CCN1CCOCC1)\c1cccs1 ZINC000000499570 452608974 /nfs/dbraw/zinc/60/89/74/452608974.db2.gz XJDSFNLAODQDIW-XMHGGMMESA-N 0 0 340.452 3.181 50 30 EGEARN O=C(C=Cc1ccccc1)C[C@]1(O)C(=O)Nc2ccc(Cl)cc21 ZINC000000565139 452623574 /nfs/dbraw/zinc/62/35/74/452623574.db2.gz DJKAQRZCSJVIRP-JHTBKMLMSA-N 0 0 327.767 3.152 50 30 EGEARN C=CCN(c1ccc(C(=O)Nc2ccc(C)cc2)cc1)S(C)(=O)=O ZINC000000571552 452626251 /nfs/dbraw/zinc/62/62/51/452626251.db2.gz QGWUEIZJJGRHHJ-UHFFFAOYSA-N 0 0 344.436 3.199 50 30 EGEARN COC(=O)c1ccccc1Sc1c(C#N)c(C(F)(F)F)nn1C ZINC000001387991 452659100 /nfs/dbraw/zinc/65/91/00/452659100.db2.gz DRYZGOWKERBFHV-UHFFFAOYSA-N 0 0 341.314 3.248 50 30 EGEARN CC(=O)Nc1ccc(/C=N/c2c(C)n(C)n(-c3ccccc3)c2=O)cc1 ZINC000002155823 452688757 /nfs/dbraw/zinc/68/87/57/452688757.db2.gz RJFMPSNQAHVWNZ-FYJGNVAPSA-N 0 0 348.406 3.193 50 30 EGEARN C=CCSc1nnc2n1-c1sc3c(c1-c1ncnn1-2)CCCC3 ZINC000002395355 452694982 /nfs/dbraw/zinc/69/49/82/452694982.db2.gz HEXMAZKWCJJGRG-UHFFFAOYSA-N 0 0 342.453 3.047 50 30 EGEARN C[C@]12CC=C3[C@H](CC[C@@]45CC6(CC[C@@]34O5)OCCO6)[C@@H]1CCC2=O ZINC000004091815 452793553 /nfs/dbraw/zinc/79/35/53/452793553.db2.gz BAMMJXIMVWLRCU-CSAOODRFSA-N 0 0 330.424 3.147 50 30 EGEARN N#CCc1nc(CSc2nc3cc([N+](=O)[O-])ccc3[nH]2)cs1 ZINC000004135738 452795252 /nfs/dbraw/zinc/79/52/52/452795252.db2.gz DJOBTEQBEZNHOX-UHFFFAOYSA-N 0 0 331.382 3.286 50 30 EGEARN O=C(/C=C/N1CCC[C@@H]1C(=O)Nc1ccc(Cl)cc1)C(F)(F)F ZINC000004175676 452795447 /nfs/dbraw/zinc/79/54/47/452795447.db2.gz UTWCDHZBSFSAKW-YPUOHESYSA-N 0 0 346.736 3.388 50 30 EGEARN C=CCNC(=S)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2C)o1 ZINC000004510926 452805968 /nfs/dbraw/zinc/80/59/68/452805968.db2.gz USEDPBRPVJJZHR-VCHYOVAHSA-N 0 0 344.396 3.147 50 30 EGEARN O=C(Nc1ccc2c(c1)OCCO2)C(F)(F)C(F)(F)C(F)(F)F ZINC000005770000 452901898 /nfs/dbraw/zinc/90/18/98/452901898.db2.gz GESXVDXZDUVWAY-UHFFFAOYSA-N 0 0 347.186 3.229 50 30 EGEARN C=CC[NH2+][C@@H](CC(=O)Nc1ccc(Oc2ccccc2)cc1)C(=O)[O-] ZINC000006293464 452930422 /nfs/dbraw/zinc/93/04/22/452930422.db2.gz UZLRNQCFQBIUIM-KRWDZBQOSA-N 0 0 340.379 3.036 50 30 EGEARN CC1(C)CC(=O)C2=C(C1)Nc1[nH][nH]c(=O)c1[C@H]2c1ccc(F)cc1 ZINC000018195581 453647540 /nfs/dbraw/zinc/64/75/40/453647540.db2.gz HRJXVTDCLINUDZ-ZDUSSCGKSA-N 0 0 327.359 3.455 50 30 EGEARN O=C1CCCC2=Nc3ncnn3[C@@H](c3ccccc3C(F)(F)F)C12 ZINC000018195926 453647663 /nfs/dbraw/zinc/64/76/63/453647663.db2.gz OSMSOPRNZXMHBC-AWEZNQCLSA-N 0 0 334.301 3.319 50 30 EGEARN O=C1CCCC2=Nc3nnnn3[C@H](c3ccc(-c4ccccc4)cc3)C12 ZINC000018196037 453647952 /nfs/dbraw/zinc/64/79/52/453647952.db2.gz QUHREFRMHLPRNX-LJQANCHMSA-N 0 0 343.390 3.362 50 30 EGEARN C=CCn1c2c(c(=O)[nH]c1=S)CN([C@@H](C)c1ccccc1)CN2 ZINC000020567348 453667526 /nfs/dbraw/zinc/66/75/26/453667526.db2.gz SYGPPEAHRMCJLN-LBPRGKRZSA-N 0 0 328.441 3.038 50 30 EGEARN COc1cccc(C(=O)/C=C/c2cc3c(c(OC)c2OC)OCO3)c1 ZINC000035324189 453923403 /nfs/dbraw/zinc/92/34/03/453923403.db2.gz YBMVYAHQSOETJQ-BQYQJAHWSA-N 0 0 342.347 3.337 50 30 EGEARN N#Cc1ccc(-c2nc([C@@H]3CC(=O)N(c4ccccc4)C3)no2)cc1 ZINC000044213925 454092318 /nfs/dbraw/zinc/09/23/18/454092318.db2.gz HFGLLJRWJOOFSU-OAHLLOKOSA-N 0 0 330.347 3.129 50 30 EGEARN COc1ccc(OC)c(C[C@@H](C#N)C(=O)Nc2ccc(F)cc2)c1 ZINC000057524967 454134681 /nfs/dbraw/zinc/13/46/81/454134681.db2.gz FQICCKVARLTAJT-ZDUSSCGKSA-N 0 0 328.343 3.164 50 30 EGEARN O=C(Cn1ccc2ccc(F)cc21)Nc1n[nH]c([C@@H]2CCCO2)n1 ZINC000095480903 454221241 /nfs/dbraw/zinc/22/12/41/454221241.db2.gz DPRDTHJSGGRBLI-ZDUSSCGKSA-N 0 0 329.335 3.038 50 30 EGEARN ClC(/C=N/N1CCN(c2ccccn2)CC1)=C\c1ccccc1 ZINC000100574335 454466386 /nfs/dbraw/zinc/46/63/86/454466386.db2.gz DIVHNASUCKLCEI-WANMUPLOSA-N 0 0 326.831 3.469 50 30 EGEARN O=S(=O)(/N=C(\c1ccccc1F)N1CCCCC1)c1ccccc1 ZINC000100871546 454467672 /nfs/dbraw/zinc/46/76/72/454467672.db2.gz XUCBGMOXORQDNY-CZIZESTLSA-N 0 0 346.427 3.447 50 30 EGEARN COC(=O)c1ccccc1Sc1nc2sccn2c1/C=N\O ZINC000100926005 454468455 /nfs/dbraw/zinc/46/84/55/454468455.db2.gz KFTJKVYLDYQBGJ-NVNXTCNLSA-N 0 0 333.394 3.142 50 30 EGEARN N#Cc1cccc(-c2nc(C3CC3)nn2-c2ccc3c(c2)OCO3)c1 ZINC000065489263 454576465 /nfs/dbraw/zinc/57/64/65/454576465.db2.gz VXKFCTPSNAXGCN-UHFFFAOYSA-N 0 0 330.347 3.412 50 30 EGEARN COc1cc2c(cc1OC)CN(C(=O)c1ccc(N=[N+]=[N-])nc1)CC2 ZINC000108518012 454801555 /nfs/dbraw/zinc/80/15/55/454801555.db2.gz WZWHDFKDGNBDMP-UHFFFAOYSA-N 0 0 339.355 3.239 50 30 EGEARN N#Cc1c(F)cc(Br)cc1I ZINC000113802520 454936044 /nfs/dbraw/zinc/93/60/44/454936044.db2.gz AVOJNETXISRKKX-UHFFFAOYSA-N 0 0 325.906 3.064 50 30 EGEARN COc1ccc(C2N=NC(=S)N2N=CC=Cc2ccco2)cc1 ZINC000252429453 455804463 /nfs/dbraw/zinc/80/44/63/455804463.db2.gz QPNUKAIDUWHRER-QHRYSZJBSA-N 0 0 326.381 3.383 50 30 EGEARN COc1cc([C@H]2CC(=O)OC3=C2C(=O)CC(C)(C)C3)cc2c1OCO2 ZINC000524729420 459384471 /nfs/dbraw/zinc/38/44/71/459384471.db2.gz STQDWYRQIYTPLT-LLVKDONJSA-N 0 0 344.363 3.098 50 30 biogenic EGEARN N#Cc1ccnc(O[C@@H]2CCCN(C(=O)CCCc3ccccc3)C2)c1 ZINC000575612768 459983030 /nfs/dbraw/zinc/98/30/30/459983030.db2.gz MSORDIZTSZHFKV-LJQANCHMSA-N 0 0 349.434 3.346 50 30 EGEARN C#CCN1c2ccccc2[C@@](O)(CC(=O)c2cc(C)c(C)cc2C)C1=O ZINC000004866534 518273454 /nfs/dbraw/zinc/27/34/54/518273454.db2.gz WSYTYTDWLVQLKN-QFIPXVFZSA-N 0 0 347.414 3.052 50 30 EGEARN C#CCn1c2c(cccc2F)s/c1=N\C(=O)c1c(F)cccc1F ZINC000100877868 518340510 /nfs/dbraw/zinc/34/05/10/518340510.db2.gz GDRIDOVBMMMIEF-FXBPSFAMSA-N 0 0 346.333 3.494 50 30 EGEARN C=CCNC(=O)COc1cccc(-c2noc(-c3ccccc3C)n2)c1 ZINC000033327287 518896284 /nfs/dbraw/zinc/89/62/84/518896284.db2.gz WHJNEAIUICHEAW-UHFFFAOYSA-N 0 0 349.390 3.393 50 30 EGEARN C=CCNC(=O)COc1ccccc1-c1noc(-c2ccccc2)n1 ZINC000033325161 518896635 /nfs/dbraw/zinc/89/66/35/518896635.db2.gz ZLFYOJJRFYNZNX-UHFFFAOYSA-N 0 0 335.363 3.085 50 30 EGEARN C=CCNc1ccccc1C(=O)NCc1nc(C)c2c(n1)CCCC2 ZINC000055284691 518962835 /nfs/dbraw/zinc/96/28/35/518962835.db2.gz BGPYIXOBZOSPBF-UHFFFAOYSA-N 0 0 336.439 3.192 50 30 EGEARN COC(=O)C1=C(C)NC(=Cc2ccccc2OCc2ccccc2)C1=O ZINC000004094866 522871886 /nfs/dbraw/zinc/87/18/86/522871886.db2.gz IFDGTVCVISANEB-SFQUDFHCSA-N 0 0 349.386 3.226 50 30 EGEARN COc1ccc(/C=N/N2CCOCC2)cc1CSc1ccccn1 ZINC000000500222 523440564 /nfs/dbraw/zinc/44/05/64/523440564.db2.gz AWXYKOZMAZITJB-DEDYPNTBSA-N 0 0 343.452 3.049 50 30 EGEARN Oc1cccc(CN=Nc2ncnc3c2ncn3Cc2ccccc2)c1 ZINC000005389545 526357324 /nfs/dbraw/zinc/35/73/24/526357324.db2.gz KEXHVQNXNONDBJ-AUEPDCJTSA-N 0 0 344.378 3.026 50 30 EGEARN CC(C)(O)C#Cc1ccc(CN2CC(Oc3ccccc3F)C2)cc1 ZINC000826626557 1320391582 /nfs/dbraw/zinc/39/15/82/1320391582.db2.gz OLSPPWDUNZWPJO-UHFFFAOYSA-N 0 0 339.410 3.211 50 30 EGEARN Cc1c(NC(=O)c2cc(F)cc(C#N)c2)cccc1-c1nncn1C ZINC000826768260 1320403362 /nfs/dbraw/zinc/40/33/62/1320403362.db2.gz WHXGTQNSIGQMDQ-UHFFFAOYSA-N 0 0 335.342 3.054 50 30 EGEARN C=CCN(Cc1cnc(NC(C)C)nc1)Cc1ccccc1OC ZINC000055196210 214286736 /nfs/dbraw/zinc/28/67/36/214286736.db2.gz QVYCYJJLWDECHW-UHFFFAOYSA-N 0 0 326.444 3.494 50 30 EGEARN COC(=O)c1csc(=NNC2=C(C(=O)C(F)(F)F)CCC2)[n-]1 ZINC000101391992 219125673 /nfs/dbraw/zinc/12/56/73/219125673.db2.gz OIEWJVSONNHOHJ-ZJNYJYAASA-N 0 0 335.307 3.256 50 30 EGEARN O=C1C[C@@H](c2ccccc2)CC2=Nc3ncnn3[C@@H](c3ccco3)C12 ZINC000008968900 201764450 /nfs/dbraw/zinc/76/44/50/201764450.db2.gz IGBCCXRSSNBCGZ-UGSOOPFHSA-N 0 0 332.363 3.287 50 30 EGEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1cccnc1 ZINC000019867142 202023255 /nfs/dbraw/zinc/02/32/55/202023255.db2.gz IGXCTQSBKPSGCN-QGZVFWFLSA-N 0 0 326.396 3.003 50 30 EGEARN CCc1ccc(/C=C2\Oc3cc(OS(C)(=O)=O)ccc3C2=O)cc1 ZINC000013653738 201365866 /nfs/dbraw/zinc/36/58/66/201365866.db2.gz CRZICIRGTKAROR-YVLHZVERSA-N 0 0 344.388 3.204 50 30 EGEARN N#Cc1ccc([N+](=O)[O-])c(CS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000000170253 201443118 /nfs/dbraw/zinc/44/31/18/201443118.db2.gz PVPCMUVBNRJNSN-UHFFFAOYSA-N 0 0 336.756 3.094 50 30 EGEARN Cc1cc(C(F)(F)F)c(C#N)c(=O)n1Cc1ccc(Cl)nc1 ZINC000001387154 201505959 /nfs/dbraw/zinc/50/59/59/201505959.db2.gz PWQZXFOXNASUOU-UHFFFAOYSA-N 0 0 327.693 3.144 50 30 EGEARN NS(=O)(=O)c1ccc(-c2ccc(C=NNc3ccccc3)o2)cc1 ZINC000005051163 201636102 /nfs/dbraw/zinc/63/61/02/201636102.db2.gz XLVZDMMVWPKMFU-XDHOZWIPSA-N 0 0 341.392 3.040 50 30 EGEARN OCCOCCOCCOCCCCCCCCCCCS ZINC000006620298 201687940 /nfs/dbraw/zinc/68/79/40/201687940.db2.gz FASSFROSROBIBE-UHFFFAOYSA-N 0 0 336.538 3.469 50 30 in-vitro EGEARN Cc1c(-c2cnn(C)c2)nc(N)c(C#N)c1-c1ccc2ccn(C)c2c1 ZINC000071498495 203098893 /nfs/dbraw/zinc/09/88/93/203098893.db2.gz PBGLNEQFRPENCV-UHFFFAOYSA-N 0 0 342.406 3.403 50 30 EGEARN CC(C)c1cc(N2CCN(c3ccccc3C#N)CC2)n2nccc2n1 ZINC000072163788 203177589 /nfs/dbraw/zinc/17/75/89/203177589.db2.gz ROLLFXBRVSSPCA-UHFFFAOYSA-N 0 0 346.438 3.051 50 30 EGEARN C=CCN1C(=O)COc2ccc(-c3csc(NC(=O)CC)n3)cc21 ZINC000019820159 212071696 /nfs/dbraw/zinc/07/16/96/212071696.db2.gz KKQMXAUNJCEVDB-UHFFFAOYSA-N 0 0 343.408 3.070 50 30 EGEARN N#Cc1nc(-c2ccccc2)oc1S(=O)(=O)c1ccc(F)cc1 ZINC000080344590 203457854 /nfs/dbraw/zinc/45/78/54/203457854.db2.gz DEOJOBZAYATVFX-UHFFFAOYSA-N 0 0 328.324 3.185 50 30 EGEARN C#CCN1C(=O)S/C(=C/c2cccn2-c2ccc(F)cc2)C1=O ZINC000012342701 211352454 /nfs/dbraw/zinc/35/24/54/211352454.db2.gz HTHYOHYXNVZMMT-RVDMUPIBSA-N 0 0 326.352 3.286 50 30 EGEARN CCOC(=O)COc1ccc2c(c1)O/C(=C\c1cccc(F)c1)C2=O ZINC000005967400 258003107 /nfs/dbraw/zinc/00/31/07/258003107.db2.gz JZCQVKOJCQYSMA-MFOYZWKCSA-N 0 0 342.322 3.384 50 30 EGEARN C=CCN1CCN(C(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)CC1 ZINC000012380419 258017146 /nfs/dbraw/zinc/01/71/46/258017146.db2.gz PBDGMJGGPPMKGS-INIZCTEOSA-N 0 0 330.472 3.082 50 30 EGEARN COc1cccc([C@H]2CC(=O)OC3=C2C(=O)c2ccccc2C3=O)c1 ZINC000100207500 278022318 /nfs/dbraw/zinc/02/23/18/278022318.db2.gz BIZQXCNLWNHYRB-OAHLLOKOSA-N 0 0 334.327 3.059 50 30 EGEARN CC1(C)CC(=O)C=C(N2CCN(C3=CC(=O)CC(C)(C)C3)CC2)C1 ZINC000004410752 278184620 /nfs/dbraw/zinc/18/46/20/278184620.db2.gz UBEOVSSSYNJKOA-UHFFFAOYSA-N 0 0 330.472 3.150 50 30 EGEARN CCSc1nc2n(n1)[C@H](c1cccs1)C1C(=O)CCCC1=N2 ZINC000004436232 280064640 /nfs/dbraw/zinc/06/46/40/280064640.db2.gz ADVOKHDHHKZQMR-CYBMUJFWSA-N 0 0 332.454 3.474 50 30 EGEARN Cc1cc2n(c(=O)c1C#N)CC(c1ccc(Br)cc1)=C2 ZINC000005529097 280702046 /nfs/dbraw/zinc/70/20/46/280702046.db2.gz GRMACYXPSKUERE-UHFFFAOYSA-N 0 0 327.181 3.345 50 30 EGEARN CN(C)N1C(=O)C[C@@H](c2c(F)cccc2Cl)C2=C1CCCC2=O ZINC000001422731 289226748 /nfs/dbraw/zinc/22/67/48/289226748.db2.gz NEACGMSVPOPATL-JTQLQIEISA-N 0 0 336.794 3.279 50 30 EGEARN N#Cc1ccc(N2CCC[C@H]2[C@@H](O)C(F)(F)F)cc1C(F)(F)F ZINC000113334142 294926014 /nfs/dbraw/zinc/92/60/14/294926014.db2.gz OPSIVAKKLQRWKC-NWDGAFQWSA-N 0 0 338.251 3.469 50 30 EGEARN N#CC1(C#N)[C@H]2CCCC[C@]23OC(=N)[C@@]1(C#N)[C@H](Cc1ccccc1)O3 ZINC000004198935 303139115 /nfs/dbraw/zinc/13/91/15/303139115.db2.gz MCBJDBNHNDAUID-GJJHYRHESA-N 0 0 346.390 3.065 50 30 EGEARN CC(O)=C1C(=O)C(=O)N(c2cccnc2)[C@@H]1c1ccc(Cl)cc1 ZINC000000079423 452500234 /nfs/dbraw/zinc/50/02/34/452500234.db2.gz SHPLLJHOSVXHSP-OAHLLOKOSA-N 0 0 328.755 3.224 50 30 EGEARN C#CCN1c2ccccc2[C@](O)(CC(=O)c2c(C)cc(C)cc2C)C1=O ZINC000000316522 452562178 /nfs/dbraw/zinc/56/21/78/452562178.db2.gz DKQPMVUUFUIDCP-JOCHJYFZSA-N 0 0 347.414 3.052 50 30 EGEARN C=CCn1c(SCC(C)C)nc(O)c(Cc2ccccc2)c1=O ZINC000000447257 452594928 /nfs/dbraw/zinc/59/49/28/452594928.db2.gz KRJXMRUKCGKLEI-UHFFFAOYSA-N 0 0 330.453 3.474 50 30 EGEARN CC1=CC(=NOC(=O)c2ccc(Br)cc2)C=C(C)C1=O ZINC000000457382 452599305 /nfs/dbraw/zinc/59/93/05/452599305.db2.gz JUVXYFRZPNLNOP-UHFFFAOYSA-N 0 0 334.169 3.437 50 30 EGEARN C=CCOc1ccc(/C=N/n2cnc3c4ccccc4[nH]c3c2=O)cc1 ZINC000002266746 452692172 /nfs/dbraw/zinc/69/21/72/452692172.db2.gz HDWUUGQNKFYFJX-WSDLNYQXSA-N 0 0 344.374 3.325 50 30 EGEARN COc1ccc2ccccc2c1[C@@H]1NC(=S)NC(C)=C1C(C)=O ZINC000002475974 452699753 /nfs/dbraw/zinc/69/97/53/452699753.db2.gz NLSCWBJYYSFMBG-QGZVFWFLSA-N 0 0 326.421 3.230 50 30 EGEARN C=CCOC(=O)c1sc(NC(=O)COc2cccc(C)c2)nc1C ZINC000002668415 452715276 /nfs/dbraw/zinc/71/52/76/452715276.db2.gz MBVMZDITSRNLMY-UHFFFAOYSA-N 0 0 346.408 3.120 50 30 EGEARN C=CCCNC(=S)NC(=O)c1cc(Br)ccc1Cl ZINC000002852042 452729876 /nfs/dbraw/zinc/72/98/76/452729876.db2.gz UWKXYWQDZJIBIX-UHFFFAOYSA-N 0 0 347.665 3.283 50 30 EGEARN CC(=O)C1=C(c2ccccc2)NC(=O)N[C@H]1c1ccc(O)c(Cl)c1 ZINC000002881764 452734495 /nfs/dbraw/zinc/73/44/95/452734495.db2.gz UURUTQSYIFTPCY-KRWDZBQOSA-N 0 0 342.782 3.400 50 30 EGEARN Cc1ccc(SCCOc2ccccc2/C=N/NC(N)=S)cc1 ZINC000002969596 452738295 /nfs/dbraw/zinc/73/82/95/452738295.db2.gz LFTXCSHIWVWTRY-XDHOZWIPSA-N 0 0 345.493 3.333 50 30 EGEARN CO/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(OC)c1 ZINC000003112007 452743676 /nfs/dbraw/zinc/74/36/76/452743676.db2.gz NPMCVFRRTRDHRA-CXUHLZMHSA-N 0 0 347.283 3.284 50 30 EGEARN Cc1cc(C)cc(NC(=O)[C@@H]2CCCN2/C=C/C(=O)C(F)(F)F)c1 ZINC000004119710 452792627 /nfs/dbraw/zinc/79/26/27/452792627.db2.gz SMPFSTYFGAMXRA-DYLGSBMWSA-N 0 0 340.345 3.351 50 30 EGEARN COc1ccc(C(C)N=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000004670513 452812459 /nfs/dbraw/zinc/81/24/59/452812459.db2.gz LGQWOKSOBNUYCG-MHWRWJLKSA-N 0 0 330.300 3.348 50 30 EGEARN COc1ccc(S(=O)(=O)Nc2ccc(CC#N)cc2)cc1Cl ZINC000004756967 452816401 /nfs/dbraw/zinc/81/64/01/452816401.db2.gz OARLWLFAWAQIHQ-UHFFFAOYSA-N 0 0 336.800 3.215 50 30 EGEARN COc1ccccc1/C=C/c1nc(C#N)c(NCCCn2ccnc2)o1 ZINC000004809878 452818089 /nfs/dbraw/zinc/81/80/89/452818089.db2.gz AQFFNYLSMIPLQH-BQYQJAHWSA-N 0 0 349.394 3.424 50 30 EGEARN COc1cc(OC)c(OC)cc1C=NNc1nc2ccccc2[nH]1 ZINC000005070835 452835900 /nfs/dbraw/zinc/83/59/00/452835900.db2.gz CCVUKAHKCIVZHK-VCHYOVAHSA-N 0 0 326.356 3.035 50 30 EGEARN Cc1cccc(NC(=O)COC(=O)c2ccc(C#N)cc2F)c1C ZINC000005246646 452851138 /nfs/dbraw/zinc/85/11/38/452851138.db2.gz ZOKXUQQSLPZAMW-UHFFFAOYSA-N 0 0 326.327 3.110 50 30 EGEARN COc1cccc(/C(C)=N/N2CCN(c3ccccc3OC)CC2)c1 ZINC000005605572 452888705 /nfs/dbraw/zinc/88/87/05/452888705.db2.gz UTEQKVGIGNGNQB-LTGZKZEYSA-N 0 0 339.439 3.250 50 30 EGEARN C=CCn1nnnc1NCc1cccc(OCc2ccc(F)cc2)c1 ZINC000006856460 452997641 /nfs/dbraw/zinc/99/76/41/452997641.db2.gz JLDIVDFIHXZRQU-UHFFFAOYSA-N 0 0 339.374 3.189 50 30 EGEARN CNC(=S)N/N=C/c1cn(Cc2ccc(F)cc2)c2ccccc12 ZINC000008691964 453221524 /nfs/dbraw/zinc/22/15/24/453221524.db2.gz CUXDVNJSDGYRNJ-UFFVCSGVSA-N 0 0 340.427 3.257 50 30 EGEARN O=C1CCCC2=Nc3nonc3N[C@H](c3ccnc4ccccc43)C12 ZINC000012322932 453354549 /nfs/dbraw/zinc/35/45/49/453354549.db2.gz CBQFAUYLBCJWQB-MRXNPFEDSA-N 0 0 333.351 3.204 50 30 EGEARN CC1(C)CC(=O)C2=C(C1)Nc1[nH][nH]c(=O)c1[C@H]2c1ccc(O)cc1 ZINC000012347448 453355778 /nfs/dbraw/zinc/35/57/78/453355778.db2.gz XJAUHDDFCOIMSM-ZDUSSCGKSA-N 0 0 325.368 3.022 50 30 EGEARN CC(C)N1/C(=C/c2ccc(O)cc2)C(=O)c2ccccc2S1(=O)=O ZINC000012408667 453363115 /nfs/dbraw/zinc/36/31/15/453363115.db2.gz MWGOXQNIOATRPE-LFIBNONCSA-N 0 0 343.404 3.029 50 30 EGEARN Cc1cc(=O)oc2cc(NC(=S)NCc3ccccn3)ccc12 ZINC000013519561 453467681 /nfs/dbraw/zinc/46/76/81/453467681.db2.gz IGKRBWTWRQNUEN-UHFFFAOYSA-N 0 0 325.393 3.394 50 30 EGEARN CC[N-]C(=S)[NH+]=C(Nc1ccccc1)Nc1nc(C)cc(C)n1 ZINC000013635754 453475924 /nfs/dbraw/zinc/47/59/24/453475924.db2.gz MVXBGGZXULXCRT-UHFFFAOYSA-N 0 0 328.445 3.088 50 30 EGEARN C[C@@H]1C[C@H]1c1ccc(/C=C2\C(=O)c3ccccc3S(=O)(=O)N2C)o1 ZINC000013655849 453479091 /nfs/dbraw/zinc/47/90/91/453479091.db2.gz WTSMIYHHQIFZKW-KKYPHGRXSA-N 0 0 343.404 3.261 50 30 EGEARN C=CCNC(=O)N1CCC[C@@H](C(=O)c2ccc(C(F)(F)F)cc2)C1 ZINC000014949629 453547885 /nfs/dbraw/zinc/54/78/85/453547885.db2.gz WJAQQCYOCDJHMS-CYBMUJFWSA-N 0 0 340.345 3.496 50 30 EGEARN O=C1N/C(=N/N=C/c2ccco2)S[C@@H]1Cc1ccc(Cl)cc1 ZINC000017015982 453626158 /nfs/dbraw/zinc/62/61/58/453626158.db2.gz XVIPLJFVHGDSII-LFMVTYOGSA-N 0 0 333.800 3.097 50 30 EGEARN CC(C)CSc1nc(N2CCOCC2)c2c(c1C#N)CCCC2 ZINC000018323240 453650699 /nfs/dbraw/zinc/65/06/99/453650699.db2.gz QSKAUCNYRLUPRN-UHFFFAOYSA-N 0 0 331.485 3.417 50 30 EGEARN COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1c[nH]c2ccccc21 ZINC000019834782 453660037 /nfs/dbraw/zinc/66/00/37/453660037.db2.gz WTMPYVQGFNLOSZ-GOSISDBHSA-N 0 0 336.391 3.309 50 30 EGEARN C=CCN(C)c1ccc(N)c(CS(=O)(=O)c2ccc(C)cc2)c1 ZINC000075278620 453875578 /nfs/dbraw/zinc/87/55/78/453875578.db2.gz QDNGPFIHHSEUHW-UHFFFAOYSA-N 0 0 330.453 3.173 50 30 EGEARN N#Cc1ccccc1N1CCN(Cc2cc3ccccc3o2)CC1=O ZINC000082107275 453924835 /nfs/dbraw/zinc/92/48/35/453924835.db2.gz GTWDHBCERUXALX-UHFFFAOYSA-N 0 0 331.375 3.153 50 30 EGEARN Cc1cc(F)ccc1CN1CC(=O)N(c2ccc(C#N)cc2)C[C@@H]1C ZINC000082121536 453925274 /nfs/dbraw/zinc/92/52/74/453925274.db2.gz IHGQYHHYJXCDTG-HNNXBMFYSA-N 0 0 337.398 3.243 50 30 EGEARN Cn1ccc(-c2cc(-c3cccn3-c3cccnc3)c(C#N)c(N)n2)c1 ZINC000067513564 453937947 /nfs/dbraw/zinc/93/79/47/453937947.db2.gz WOJIRXDETFJLHN-UHFFFAOYSA-N 0 0 340.390 3.394 50 30 EGEARN CCc1nc(-c2cc(-c3ccc(OC)cc3)nc(N)c2C#N)c(C)[nH]1 ZINC000067743699 453962168 /nfs/dbraw/zinc/96/21/68/453962168.db2.gz LEFUWFSPRZSIDH-UHFFFAOYSA-N 0 0 333.395 3.472 50 30 EGEARN O=C(Nc1cccc(C#Cc2ccccn2)c1)[C@H]1Cc2ccccc2O1 ZINC000057766415 454145936 /nfs/dbraw/zinc/14/59/36/454145936.db2.gz HBQMNFYLQQGSKZ-OAQYLSRUSA-N 0 0 340.382 3.424 50 30 EGEARN C=CCn1cc(-c2cc(-c3ccc(O)cc3F)nc(N)c2C#N)cn1 ZINC000071771829 454216965 /nfs/dbraw/zinc/21/69/65/454216965.db2.gz VLVKSAJAXTWQNN-UHFFFAOYSA-N 0 0 335.342 3.097 50 30 EGEARN CCCNC(=O)c1ccc(NC(=O)N2CCC[C@@H](C#N)C2)cc1Cl ZINC000096179622 454296811 /nfs/dbraw/zinc/29/68/11/454296811.db2.gz XIEZFYXRNJUBAW-LBPRGKRZSA-N 0 0 348.834 3.247 50 30 EGEARN COc1ccccc1OCC#CCNC(=O)c1ccc(Cl)s1 ZINC000090610404 454327722 /nfs/dbraw/zinc/32/77/22/454327722.db2.gz HNPRJEMUPHFIHA-UHFFFAOYSA-N 0 0 335.812 3.222 50 30 EGEARN C#CCOc1cc([C@@H]2CC(=O)Nc3nc(NC)sc32)ccc1OC ZINC000061718104 454352101 /nfs/dbraw/zinc/35/21/01/454352101.db2.gz QGHJFLRTBAMATE-NSHDSACASA-N 0 0 343.408 3.329 50 30 EGEARN CC(=O)[C@H]1C(=O)c2c(cccc2[N+](=O)[O-])/C1=N\c1cccc(F)c1 ZINC000101405234 454470272 /nfs/dbraw/zinc/47/02/72/454470272.db2.gz VCDXOPRMVXIJHU-RKDSPFTASA-N 0 0 326.283 3.256 50 30 EGEARN C=CC[C@@]1(C(=O)[O-])CCC[N@H+](Cc2cnc(CC3CCCC3)[nH]2)C1 ZINC000092062022 454511191 /nfs/dbraw/zinc/51/11/91/454511191.db2.gz IFSKGKYTJHMISS-LJQANCHMSA-N 0 0 331.460 3.385 50 30 EGEARN Cc1ccc(/N=C2\c3ccccc3N(CN3CCOCC3)C2=O)c(C)c1 ZINC000102806431 454520922 /nfs/dbraw/zinc/52/09/22/454520922.db2.gz FMNCNVNGACUZBU-LSDHQDQOSA-N 0 0 349.434 3.061 50 30 EGEARN N#Cc1cccc(N2CCN(Cc3ccc(F)c(Cl)c3F)CC2)n1 ZINC000065395747 454558776 /nfs/dbraw/zinc/55/87/76/454558776.db2.gz MIUDAABIEBFBMM-UHFFFAOYSA-N 0 0 348.784 3.207 50 30 EGEARN CC(C)(C)n1cc(/C=C/C(=O)c2nc(Br)cs2)nn1 ZINC000585136130 459828102 /nfs/dbraw/zinc/82/81/02/459828102.db2.gz RZZWGMUBHYRGJQ-SNAWJCMRSA-N 0 0 341.234 3.148 50 30 EGEARN CO/N=C(\CSc1cccc(OC)c1)c1sc2ncnn2c1C ZINC000005721875 522738061 /nfs/dbraw/zinc/73/80/61/522738061.db2.gz HTWIWDIISAOMNE-QGOAFFKASA-N 0 0 348.453 3.251 50 30 EGEARN Cc1cccc(C(=N)NOC(=O)COc2ccc(Cl)c(C)c2)c1 ZINC000004725357 524150127 /nfs/dbraw/zinc/15/01/27/524150127.db2.gz JBRVPLLJBKXSNN-UHFFFAOYSA-N 0 0 332.787 3.199 50 30 EGEARN O=C(c1cccs1)[C@@H]1CCCN(Cc2cc(C#CCO)cs2)C1 ZINC000828644584 1292487284 /nfs/dbraw/zinc/48/72/84/1292487284.db2.gz HBSUQGRLBBMROY-OAHLLOKOSA-N 0 0 345.489 3.248 50 30 EGEARN N#Cc1ccc(CCC(=O)NCc2cccnc2-c2cccnc2)cc1 ZINC000238892899 1296281090 /nfs/dbraw/zinc/28/10/90/1296281090.db2.gz QUGODEWLGOCDHT-UHFFFAOYSA-N 0 0 342.402 3.264 50 30 EGEARN COc1ccccc1Oc1ccc(NC(=O)c2cc(C#N)c[nH]2)cn1 ZINC000824827546 1320289639 /nfs/dbraw/zinc/28/96/39/1320289639.db2.gz IGUZPDFRVCGCSO-UHFFFAOYSA-N 0 0 334.335 3.335 50 30 EGEARN C=C1C(=O)O[C@@H]2C=C(C)C[C@H](O)C=C(C)C[C@@H](OC(=O)/C(C)=C\C)[C@@H]12 ZINC001772820457 1441417795 /nfs/dbraw/zinc/41/77/95/1441417795.db2.gz ZYKRXWIPMUJNME-FVCCQREESA-N 0 0 346.423 3.010 50 30 EGEARN COC(=O)c1sc(NC(=O)COc2ccccc2C)c(C#N)c1C ZINC000004560545 210220275 /nfs/dbraw/zinc/22/02/75/210220275.db2.gz XABUUSYHZFYPBK-UHFFFAOYSA-N 0 0 344.392 3.041 50 30 EGEARN N#C[C@@H]1[C@H](C#N)[C@@H](C(=O)c2ccccc2)N2c3ccccc3S[C@@H]12 ZINC000004661605 283062686 /nfs/dbraw/zinc/06/26/86/283062686.db2.gz SFLWOYGIMCMLGY-CSHUHZATSA-N 0 0 331.400 3.469 50 30 EGEARN COc1ccc(OC)c(-c2cc(-c3cccnc3)nc(N)c2C#N)c1 ZINC000020478342 202044267 /nfs/dbraw/zinc/04/42/67/202044267.db2.gz NJMAOFNJCLSNQY-UHFFFAOYSA-N 0 0 332.363 3.282 50 30 EGEARN CCOC(=O)C[C@]1(C#N)c2ccccc2C=CN1C(=O)c1ccccc1 ZINC000000386965 201467374 /nfs/dbraw/zinc/46/73/74/201467374.db2.gz XCJUFEURDNOFPM-NRFANRHFSA-N 0 0 346.386 3.485 50 30 EGEARN O=S(=O)(N/N=C/c1ccc2c3c(cccc31)CC2)c1ccccc1 ZINC000000268095 201456520 /nfs/dbraw/zinc/45/65/20/201456520.db2.gz RGNKPJKLRCHQRB-DEDYPNTBSA-N 0 0 336.416 3.251 50 30 EGEARN Cc1nc(CCN(C)c2oc(-c3ccc(Cl)cc3)nc2C#N)no1 ZINC000227156242 242123708 /nfs/dbraw/zinc/12/37/08/242123708.db2.gz HKJJWLMEBGXPCS-UHFFFAOYSA-N 0 0 343.774 3.237 50 30 EGEARN N#Cc1ccccc1COc1ccc(C(=S)N2CCOCC2)cc1 ZINC000004705239 201613561 /nfs/dbraw/zinc/61/35/61/201613561.db2.gz IFVRQMHFVNSORI-UHFFFAOYSA-N 0 0 338.432 3.145 50 30 EGEARN C=C(C)C[NH+]1CCN([C@@H](C(=O)[O-])c2c[nH]c3ccc(Cl)cc32)CC1 ZINC000020722700 212164219 /nfs/dbraw/zinc/16/42/19/212164219.db2.gz MQELSRLRYAERLT-QGZVFWFLSA-N 0 0 347.846 3.141 50 30 EGEARN N#Cc1c(N)nc(-c2cc[nH]c2)cc1-c1ccnn1-c1ccccc1 ZINC000071767704 203112322 /nfs/dbraw/zinc/11/23/22/203112322.db2.gz HLOYHEJDJRWAMC-UHFFFAOYSA-N 0 0 326.363 3.383 50 30 EGEARN Cc1ccccc1-n1cc(-c2cc([C@H]3CCOC3)c(C#N)c(N)n2)cn1 ZINC000071753845 203108415 /nfs/dbraw/zinc/10/84/15/203108415.db2.gz UVCLBGHGUJIULG-AWEZNQCLSA-N 0 0 345.406 3.201 50 30 EGEARN COc1c2cc(F)ccc2ncc1S(=O)(=O)c1ccc(C#N)cc1 ZINC000072332522 203201819 /nfs/dbraw/zinc/20/18/19/203201819.db2.gz PXIXZICPQJHNAG-UHFFFAOYSA-N 0 0 342.351 3.087 50 30 EGEARN CN(Cc1ccc(-n2cccn2)cc1)C(=O)c1cc(F)cc(C#N)c1 ZINC000072440031 203224468 /nfs/dbraw/zinc/22/44/68/203224468.db2.gz ULUYQVKWJOBWGO-UHFFFAOYSA-N 0 0 334.354 3.155 50 30 EGEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(C)[C@H]2c2ccccc2F)cc1 ZINC000102862527 204053048 /nfs/dbraw/zinc/05/30/48/204053048.db2.gz KMYZXCDCGFYLJA-UYTDBDHRSA-N 0 0 325.339 3.186 50 30 EGEARN C=CCOc1ccc(C2N3CC4(CC)CN2CC(CC)(C3)C4O)cc1 ZINC000019320144 212015222 /nfs/dbraw/zinc/01/52/22/212015222.db2.gz IVCWWNCTSGKIFV-UHFFFAOYSA-N 0 0 342.483 3.049 50 30 biogenic EGEARN C=C1CC[C@H]2[C@](C)(CO)[C@H](O)CC[C@@]2(C)[C@H]1C/C=C1\C=COC1=O ZINC000148146188 206372800 /nfs/dbraw/zinc/37/28/00/206372800.db2.gz YIIRVUDGRKEWBV-HOHGAXEVSA-N 0 0 332.440 3.115 50 30 EGEARN C=CCOc1ccc([C@H]2Nc3nonc3N=C3CCCC(=O)C32)cc1 ZINC000012409510 211371918 /nfs/dbraw/zinc/37/19/18/211371918.db2.gz NVBBMGGVXIFWEX-MRXNPFEDSA-N 0 0 338.367 3.220 50 30 EGEARN C=CC[C@@]1(CO)CCCN(c2ccc(-c3ccc(F)cc3)nn2)C1 ZINC000091444880 218007286 /nfs/dbraw/zinc/00/72/86/218007286.db2.gz KPKSNHMAURLSRQ-LJQANCHMSA-N 0 0 327.403 3.438 50 30 EGEARN C=CCOc1ccc(C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC000004869114 210308011 /nfs/dbraw/zinc/30/80/11/210308011.db2.gz PWRWKUPYAYTNME-UHFFFAOYSA-N 0 0 328.324 3.421 50 30 EGEARN C=CCNC(=S)Nc1cccc(C(=O)NCc2ccccc2)c1 ZINC000002809089 258046978 /nfs/dbraw/zinc/04/69/78/258046978.db2.gz DQHDZSRUMRFTNW-UHFFFAOYSA-N 0 0 325.437 3.089 50 30 EGEARN C=CCN(Cc1ccco1)C(=O)c1cnn(-c2ccccc2OC)c1 ZINC000055071816 258014946 /nfs/dbraw/zinc/01/49/46/258014946.db2.gz IQMFCKYJKXMOLF-UHFFFAOYSA-N 0 0 337.379 3.302 50 30 EGEARN C=CCNC(=O)Cc1c(OC)ccc2cc(Br)ccc21 ZINC000002172749 258017303 /nfs/dbraw/zinc/01/73/03/258017303.db2.gz CPZOKMPWYUJRDO-UHFFFAOYSA-N 0 0 334.213 3.456 50 30 EGEARN CCOC(=O)COc1ccc2c(c1)O/C(=C\c1ccccc1F)C2=O ZINC000009419354 258054097 /nfs/dbraw/zinc/05/40/97/258054097.db2.gz XTNSIPDOQROLGJ-MFOYZWKCSA-N 0 0 342.322 3.384 50 30 EGEARN COc1cc(NC(=S)NCc2cccnc2)cc(OC)c1OC ZINC000013521075 258056101 /nfs/dbraw/zinc/05/61/01/258056101.db2.gz HRJVCHJURJIQNY-UHFFFAOYSA-N 0 0 333.413 3.005 50 30 EGEARN Cc1ccc(S(=O)(=O)N/N=C\c2ccc(OC(C)C)cc2)cc1C ZINC000032577567 258058223 /nfs/dbraw/zinc/05/82/23/258058223.db2.gz KYIBPOKXGSRERM-UNOMPAQXSA-N 0 0 346.452 3.403 50 30 EGEARN CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]45O[C@]35CC[C@]12C ZINC000257346479 258073644 /nfs/dbraw/zinc/07/36/44/258073644.db2.gz JLQLCPKXYHMMHD-XHYRXIGBSA-N 0 0 330.424 3.335 50 30 EGEARN COc1cc(/C=N/N2CCN(c3ccc(Cl)cc3)CC2)ccc1O ZINC000000228748 135647566 /nfs/dbraw/zinc/64/75/66/135647566.db2.gz WONLIVGPSZKNTM-DEDYPNTBSA-N 0 0 345.830 3.210 50 30 EGEARN CCOc1cc(C#N)ccc1OCC(=O)N1CCCc2ccccc21 ZINC000004840146 135667124 /nfs/dbraw/zinc/66/71/24/135667124.db2.gz QRJLEDFIOICTGU-UHFFFAOYSA-N 0 0 336.391 3.315 50 30 EGEARN CCOc1ccccc1[C@@H]1C(C(=O)OC)=C(C)NC2=C1C(=O)CCC2 ZINC000000135397 286581230 /nfs/dbraw/zinc/58/12/30/286581230.db2.gz YHQHWUYREXJERB-GOSISDBHSA-N 0 0 341.407 3.226 50 30 EGEARN Cc1cc(C)n(C[C@@H](O)CON=C2c3ccccc3-c3ccccc32)n1 ZINC000002700755 262505930 /nfs/dbraw/zinc/50/59/30/262505930.db2.gz WSQCTKNNHMKFGF-MRXNPFEDSA-N 0 0 347.418 3.310 50 30 EGEARN Cc1ccc(-c2ccc(/C=N/NC(N)=S)o2)c(Br)c1 ZINC000001005424 452641239 /nfs/dbraw/zinc/64/12/39/452641239.db2.gz IKIQTODMPWRVQQ-FRKPEAEDSA-N 0 0 338.230 3.185 50 30 EGEARN CC1=C/C(=N\N=c2\sc3ccccc3n2C)c2cccnc2C1=O ZINC000004773312 275906930 /nfs/dbraw/zinc/90/69/30/275906930.db2.gz WTVYARQDTAHBRK-NQUFBGNASA-N 0 0 334.404 3.082 50 30 EGEARN COc1cccc(Nc2c(C#N)c3c(c4nncn42)COC(C)(C)C3)c1 ZINC000015106159 277456584 /nfs/dbraw/zinc/45/65/84/277456584.db2.gz APXTVPLCANXYAP-UHFFFAOYSA-N 0 0 349.394 3.204 50 30 EGEARN Cc1c(-c2cc(C(F)(F)F)nc3sc(C#N)c(N)c32)cnn1C ZINC000012394338 280195455 /nfs/dbraw/zinc/19/54/55/280195455.db2.gz NVAZIIAWDGUKOW-UHFFFAOYSA-N 0 0 337.330 3.478 50 30 EGEARN O=C1C[C@@H](c2cccs2)CC2=Nc3ncnn3[C@H](c3cccnc3)C12 ZINC000018197303 280269992 /nfs/dbraw/zinc/26/99/92/280269992.db2.gz JMLDQNCADHTWMO-YVEFUNNKSA-N 0 0 349.419 3.150 50 30 EGEARN COc1cc2c(C#N)c(OC)nc3c2c(n1)NC1(CCCCC1)N3 ZINC000019791574 295028640 /nfs/dbraw/zinc/02/86/40/295028640.db2.gz KFTRRQIGMKNVFM-UHFFFAOYSA-N 0 0 325.372 3.016 50 30 EGEARN Cc1c(-c2ccc(O)cc2)nc(N)c(C#N)c1-c1ccc(N(C)C)nc1 ZINC000071746685 300905614 /nfs/dbraw/zinc/90/56/14/300905614.db2.gz LVSPFDIUZWBQNM-UHFFFAOYSA-N 0 0 345.406 3.345 50 30 EGEARN CN(/N=C/c1cccc2ccccc12)C1=NS(=O)(=O)c2ccccc21 ZINC000000088941 452504902 /nfs/dbraw/zinc/50/49/02/452504902.db2.gz CACYPGFVZQWRKJ-DEDYPNTBSA-N 0 0 349.415 3.255 50 30 EGEARN COC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(C)c1 ZINC000000096514 452505906 /nfs/dbraw/zinc/50/59/06/452505906.db2.gz PXBYRRYSEDTGFD-HNNXBMFYSA-N 0 0 341.407 3.095 50 30 EGEARN N#Cc1c(NC(=O)COC(=O)c2ccc(F)cc2)sc2c1CCC2 ZINC000000149787 452523055 /nfs/dbraw/zinc/52/30/55/452523055.db2.gz WQZFOXJLYUBXBX-UHFFFAOYSA-N 0 0 344.367 3.043 50 30 aggregator EGEARN CN1C(=O)C[C@H](c2ccccc2[N+](=O)[O-])C2=C1CC(C)(C)CC2=O ZINC000000226716 452542073 /nfs/dbraw/zinc/54/20/73/452542073.db2.gz VLSXZLFDUSFVKO-GFCCVEGCSA-N 0 0 328.368 3.184 50 30 EGEARN CC(C)c1ccc(OCC(=O)Nc2nc[nH]n2)c(Br)c1 ZINC000000382534 452575421 /nfs/dbraw/zinc/57/54/21/452575421.db2.gz IYWWNVRQYKVMFG-UHFFFAOYSA-N 0 0 339.193 3.358 50 30 EGEARN COc1ccc([C@@H]2C(C(C)=O)=C(O)C(=O)N2Cc2ccccc2)cc1 ZINC000000443826 452592465 /nfs/dbraw/zinc/59/24/65/452592465.db2.gz XWDOYZWMJIHMKC-GOSISDBHSA-N 0 0 337.375 3.180 50 30 EGEARN COc1ccc2c(c1)[nH]c1c2ncn(/N=C/c2ccc(C)cc2)c1=O ZINC000000531014 452616172 /nfs/dbraw/zinc/61/61/72/452616172.db2.gz WEZFGKDJFVGQCW-UFFVCSGVSA-N 0 0 332.363 3.077 50 30 EGEARN CCOC(=O)c1ccc(NC(=O)Cn2cc(C#N)c3ccccc32)cc1 ZINC000000555425 452620044 /nfs/dbraw/zinc/62/00/44/452620044.db2.gz KZNCPVGPVZRQSH-UHFFFAOYSA-N 0 0 347.374 3.328 50 30 EGEARN Cc1ccsc1C=NN1C(=S)N=NC1COc1ccccc1 ZINC000001298855 452650593 /nfs/dbraw/zinc/65/05/93/452650593.db2.gz TXEZHJDNVOQQDW-CXUHLZMHSA-N 0 0 330.438 3.398 50 30 EGEARN N#Cc1ccccc1C(=O)c1ccc(I)cc1 ZINC000002392639 452695927 /nfs/dbraw/zinc/69/59/27/452695927.db2.gz AKTKDGLWZCLYHY-UHFFFAOYSA-N 0 0 333.128 3.394 50 30 EGEARN N#Cc1ccc(C(=O)c2ccc(I)cc2)cc1 ZINC000002392630 452696121 /nfs/dbraw/zinc/69/61/21/452696121.db2.gz VKAMNLLFHYBPLV-UHFFFAOYSA-N 0 0 333.128 3.394 50 30 EGEARN CCNC(=S)N/N=C/c1ccc(OC(=O)c2cccc(C)c2)cc1 ZINC000002531346 452704858 /nfs/dbraw/zinc/70/48/58/452704858.db2.gz PMOOOBDEUZDNSH-UDWIEESQSA-N 0 0 341.436 3.032 50 30 EGEARN CCOC(=O)N1CCc2c(C#N)c(NC(=O)C(C)(C)C)sc2C1 ZINC000004280351 452796987 /nfs/dbraw/zinc/79/69/87/452796987.db2.gz SPNWYHLZIPPGCD-UHFFFAOYSA-N 0 0 335.429 3.119 50 30 EGEARN Cc1cc2nc(NC(N)=NC(=O)c3ccccc3)nc(C)c2cc1C ZINC000004187574 452798264 /nfs/dbraw/zinc/79/82/64/452798264.db2.gz OYVBVMJMWOSKAH-UHFFFAOYSA-N 0 0 333.395 3.122 50 30 EGEARN O=C1N/C(=N\N=C\c2ccco2)S[C@H]1Cc1cccc(Cl)c1 ZINC000004465340 452804006 /nfs/dbraw/zinc/80/40/06/452804006.db2.gz YDYRFTKISCGOEC-YRUBURHZSA-N 0 0 333.800 3.097 50 30 EGEARN Cc1c(C#N)c2nc3ccccc3n2c(-n2ccnc2)c1CCC#N ZINC000004622861 452810797 /nfs/dbraw/zinc/81/07/97/452810797.db2.gz XRRXJDUPAKOBFM-UHFFFAOYSA-N 0 0 326.363 3.309 50 30 EGEARN O=C(/C=C(/c1ccccc1)N1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000004957506 452826795 /nfs/dbraw/zinc/82/67/95/452826795.db2.gz GHVSMYVWOHVILP-JXAWBTAJSA-N 0 0 338.363 3.151 50 30 EGEARN Cc1cccc(/C=N/N=C2\NC(=O)[C@@H](Cc3cccc(C)c3)S2)c1 ZINC000004964800 452828219 /nfs/dbraw/zinc/82/82/19/452828219.db2.gz CQRANTBCPWKHTN-XNHPLOEXSA-N 0 0 337.448 3.468 50 30 EGEARN CO/N=C1/C[C@H](C)Cc2c1c(-c1cccc(OC)c1OC)nn2C ZINC000005211522 452848483 /nfs/dbraw/zinc/84/84/83/452848483.db2.gz TZLYNSLRPHUOOK-PYXNCVKXSA-N 0 0 329.400 3.037 50 30 EGEARN C=CCOC(=O)COc1cc2oc(=O)c3c(c2cc1CC)CCCC3 ZINC000005546636 452883089 /nfs/dbraw/zinc/88/30/89/452883089.db2.gz QVRQJJDQOAWMKB-UHFFFAOYSA-N 0 0 342.391 3.342 50 30 EGEARN Cc1cc(C2N=NC(=S)N2N=Cc2cccc3ccccc23)n[nH]1 ZINC000005625935 452890132 /nfs/dbraw/zinc/89/01/32/452890132.db2.gz ZFNHUWDGUYGHMM-VCHYOVAHSA-N 0 0 334.408 3.301 50 30 EGEARN Cn1c(=O)c(N=C2c3ccccc3NC2=O)c(-c2ccccc2)n1C ZINC000005730868 452898876 /nfs/dbraw/zinc/89/88/76/452898876.db2.gz QQMZXWPXEOLBIN-UHFFFAOYSA-N 0 0 332.363 3.113 50 30 EGEARN Cc1cc(C(F)(F)F)nc(SCn2cc([N+](=O)[O-])cn2)c1C#N ZINC000006400109 452941068 /nfs/dbraw/zinc/94/10/68/452941068.db2.gz ZWCGKHHTIOEIFP-UHFFFAOYSA-N 0 0 343.290 3.135 50 30 EGEARN O=C(C1=C(O)C(=O)N[C@H]1c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000006493893 452947034 /nfs/dbraw/zinc/94/70/34/452947034.db2.gz HPIRLVOOCKCIDH-AWEZNQCLSA-N 0 0 331.730 3.345 50 30 EGEARN CSc1ccc(/C(C)=N/NS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000007966379 453140611 /nfs/dbraw/zinc/14/06/11/453140611.db2.gz OGGFKMRRIHMBCZ-GHRIWEEISA-N 0 0 334.466 3.419 50 30 EGEARN Cc1c(C(=O)Nc2ccccc2C#N)nnn1-c1ccc(C)c(C)c1 ZINC000008021673 453150985 /nfs/dbraw/zinc/15/09/85/453150985.db2.gz YYUOBCOTEBTYFD-UHFFFAOYSA-N 0 0 331.379 3.317 50 30 EGEARN CC(C)S(=O)(=O)c1cccc(C(=O)Nc2sccc2C#N)c1 ZINC000010253474 453282009 /nfs/dbraw/zinc/28/20/09/453282009.db2.gz MNCSJOJSFMAGSZ-UHFFFAOYSA-N 0 0 334.422 3.054 50 30 EGEARN CN(C)/C=N/C(=O)c1cc(C(=O)c2ccc(Cl)cc2Cl)c[nH]1 ZINC000012861410 453418210 /nfs/dbraw/zinc/41/82/10/453418210.db2.gz CYXZHEBXLGRQGU-UFWORHAWSA-N 0 0 338.194 3.283 50 30 EGEARN O=C1N/C(=N/N=C/c2cccs2)S[C@H]1Cc1ccc(F)cc1 ZINC000017015246 453626725 /nfs/dbraw/zinc/62/67/25/453626725.db2.gz FVJDHQXBYPVFCY-YRUBURHZSA-N 0 0 333.413 3.051 50 30 EGEARN Cc1ccc2[nH]c(CN3CCc4c(cnc(C)c4C#N)C3)nc2c1C ZINC000067541285 453940927 /nfs/dbraw/zinc/94/09/27/453940927.db2.gz IXHJJXSVJFPAJC-UHFFFAOYSA-N 0 0 331.423 3.313 50 30 EGEARN N#Cc1cccnc1N1CCC(CO)(Cc2ccccc2Cl)CC1 ZINC000067654473 453952985 /nfs/dbraw/zinc/95/29/85/453952985.db2.gz JOUHMFUBZVEPAY-UHFFFAOYSA-N 0 0 341.842 3.428 50 30 EGEARN COc1cc(Cn2ccnc2-c2cccc(C#N)c2)cc(OC)c1OC ZINC000067833959 453971817 /nfs/dbraw/zinc/97/18/17/453971817.db2.gz ZKJYIULAECMOEG-UHFFFAOYSA-N 0 0 349.390 3.496 50 30 EGEARN Cc1nc2c(c(=O)[nH]1)[C@@H](c1ccccc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000044974037 454131201 /nfs/dbraw/zinc/13/12/01/454131201.db2.gz UNSRNGSULWDDQC-HNNXBMFYSA-N 0 0 335.407 3.279 50 30 EGEARN O=C(Nc1cccc(C#Cc2ccccn2)c1)[C@@H]1Cc2ccccc2O1 ZINC000057766418 454145817 /nfs/dbraw/zinc/14/58/17/454145817.db2.gz HBQMNFYLQQGSKZ-NRFANRHFSA-N 0 0 340.382 3.424 50 30 EGEARN C=CCOc1cccc(-c2nn3c(CN(CC)CC)nnc3s2)c1 ZINC000071260554 454204188 /nfs/dbraw/zinc/20/41/88/454204188.db2.gz SDWFDZXNDMSQGM-UHFFFAOYSA-N 0 0 343.456 3.259 50 30 EGEARN N#CCCn1ncc2c1ncnc2N1CCC[C@@H]1c1ccc(F)cc1 ZINC000097199912 454421657 /nfs/dbraw/zinc/42/16/57/454421657.db2.gz JOBIGDADZKDART-MRXNPFEDSA-N 0 0 336.374 3.221 50 30 EGEARN Cc1ccc(/N=C/c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1 ZINC000098086978 454453819 /nfs/dbraw/zinc/45/38/19/454453819.db2.gz KCONNKQDXBXPKC-CPNJWEJPSA-N 0 0 325.368 3.490 50 30 EGEARN CN(C)/C=C1/C(=O)C[C@@H](/C=C/c2ccccc2)N(C(C)(C)C)C1=O ZINC000100255219 454465035 /nfs/dbraw/zinc/46/50/35/454465035.db2.gz QIUMRZIKBOGRSZ-KLMAWXCSSA-N 0 0 326.440 3.114 50 30 EGEARN CCOc1ccc2c(c1)C(=O)C(=CNCCc1ccccn1)S2 ZINC000100233033 454465128 /nfs/dbraw/zinc/46/51/28/454465128.db2.gz VJLCQAYVYMDNAY-SFQUDFHCSA-N 0 0 326.421 3.442 50 30 EGEARN CCOC(=O)C1CCN(c2c(C#N)cnc3ccc(F)cc32)CC1 ZINC000064438661 454481877 /nfs/dbraw/zinc/48/18/77/454481877.db2.gz VIJNGLRKVKEFMC-UHFFFAOYSA-N 0 0 327.359 3.025 50 30 EGEARN Cc1cc([C@H](C#N)C(=O)OCc2ccccc2)c([N+](=O)[O-])cc1F ZINC000113276561 454921432 /nfs/dbraw/zinc/92/14/32/454921432.db2.gz IYULZAQZZQQAFH-AWEZNQCLSA-N 0 0 328.299 3.393 50 30 EGEARN CCOc1cc([C@H](C#N)N2CCO[C@@H](c3ccccc3)C2)ccc1O ZINC000170594281 454937038 /nfs/dbraw/zinc/93/70/38/454937038.db2.gz HCLZRSWNXNLSIT-FXAWDEMLSA-N 0 0 338.407 3.429 50 30 EGEARN N#Cc1nc(-c2cccs2)oc1S(=O)(=O)Cc1ccc(F)cc1 ZINC000170623873 454944156 /nfs/dbraw/zinc/94/41/56/454944156.db2.gz MJARPSHJLIQAKH-UHFFFAOYSA-N 0 0 348.380 3.388 50 30 EGEARN COCCN1C[C@H](Cc2ccc(C3(C#N)CCCC3)cc2)CC1=O ZINC000219810359 456036249 /nfs/dbraw/zinc/03/62/49/456036249.db2.gz HMGUSQUBDFNTMO-QGZVFWFLSA-N 0 0 326.440 3.059 50 30 EGEARN C#CCOc1cc(C(=O)N[C@@H](CC)c2cc(C)ccn2)ccc1OC ZINC000534631822 459339010 /nfs/dbraw/zinc/33/90/10/459339010.db2.gz LLBHTEYCWKDANS-INIZCTEOSA-N 0 0 338.407 3.292 50 30 EGEARN C=C(C)COc1ccc([C@H]2CC(=O)Oc3cc(C)n(C)c(=O)c32)cc1 ZINC000524734798 459384666 /nfs/dbraw/zinc/38/46/66/459384666.db2.gz PKZLQJMZIBDTFY-MRXNPFEDSA-N 0 0 339.391 3.090 50 30 EGEARN COCCOc1ccc(C(=O)/C=C/c2cncn2C(C)C)cc1OC ZINC000585135838 459827744 /nfs/dbraw/zinc/82/77/44/459827744.db2.gz FIGXNLVWJCPXJD-VOTSOKGWSA-N 0 0 344.411 3.394 50 30 EGEARN CCS(=O)(=O)N(Cc1ccc(C#N)s1)c1ccc(C(C)=O)cc1 ZINC000585137155 459828833 /nfs/dbraw/zinc/82/88/33/459828833.db2.gz KQOFOGBLPBCRQB-UHFFFAOYSA-N 0 0 348.449 3.179 50 30 EGEARN C=CCN(Cc1ccc(C)s1)C(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000055108679 518778497 /nfs/dbraw/zinc/77/84/97/518778497.db2.gz ZSEQQTWRXGDOED-UHFFFAOYSA-N 0 0 349.477 3.288 50 30 EGEARN C=CCNC(=O)c1ccccc1NC(=O)/C=C/c1ccccc1OC ZINC000003315019 518939916 /nfs/dbraw/zinc/93/99/16/518939916.db2.gz ZPPBPDDBLCMPCN-OUKQBFOZSA-N 0 0 336.391 3.263 50 30 EGEARN C=CCn1c(CNC(=O)CC)nnc1SCc1cccc(C)c1 ZINC000014959942 519180688 /nfs/dbraw/zinc/18/06/88/519180688.db2.gz BOVHVZPJDRWVBV-UHFFFAOYSA-N 0 0 330.457 3.091 50 30 EGEARN CC#CCN(Cc1ccco1)C(=O)COc1ccc(C(=O)CC)cc1 ZINC000055154434 519338288 /nfs/dbraw/zinc/33/82/88/519338288.db2.gz IICKHYJJUPSMKD-UHFFFAOYSA-N 0 0 339.391 3.303 50 30 EGEARN CCCCCCCCCCC[C@H](O)CC(=O)N[C@H]1CCOC1=O ZINC000038146040 520018162 /nfs/dbraw/zinc/01/81/62/520018162.db2.gz IKQUESGRCDRZTI-HOTGVXAUSA-N 0 0 327.465 3.090 50 30 EGEARN CCOC(=O)/C(=C/c1ccc(-c2ccsc2C(=O)OC)o1)C(C)=O ZINC000003028884 520391829 /nfs/dbraw/zinc/39/18/29/520391829.db2.gz SXOCNDNSYKTLRM-UKTHLTGXSA-N 0 0 348.376 3.330 50 30 EGEARN Cc1cccc(C(=N)NOC(=O)c2cccc(Br)c2)c1 ZINC000004170092 524150082 /nfs/dbraw/zinc/15/00/82/524150082.db2.gz FRATZGCRYMOVNW-UHFFFAOYSA-N 0 0 333.185 3.235 50 30 EGEARN C=C(C)COc1ccccc1NC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000820530614 1319905220 /nfs/dbraw/zinc/90/52/20/1319905220.db2.gz GSYQKXJWHJKWEF-OAHLLOKOSA-N 0 0 342.439 3.371 50 30 EGEARN C#CCOc1ccc2ccccc2c1/C=C1\NC(=O)N(CCC)C1=O ZINC000004743075 210265225 /nfs/dbraw/zinc/26/52/25/210265225.db2.gz BKCLOFBKGUFHAM-LGMDPLHJSA-N 0 0 334.375 3.155 50 30 EGEARN C=CCN(Cc1cccc(OC)c1)C(=O)c1sc(NC)nc1C ZINC000055310132 214305681 /nfs/dbraw/zinc/30/56/81/214305681.db2.gz ZIMSBAROXZWVLG-UHFFFAOYSA-N 0 0 331.441 3.330 50 30 EGEARN O=[N+]([O-])c1cccc(/C=N/CC/N=C\c2cccc([N+](=O)[O-])c2)c1 ZINC000104225291 119625236 /nfs/dbraw/zinc/62/52/36/119625236.db2.gz LCDWIXVPDSNHCZ-MJZABRMRSA-N 0 0 326.312 3.041 50 30 EGEARN CCCC[C@@H](CC)C(=O)Nc1c(C#N)cnn1-c1nc(C)cc(C)n1 ZINC000009698304 201784841 /nfs/dbraw/zinc/78/48/41/201784841.db2.gz GKKLDLBIFYZVJW-CQSZACIVSA-N 0 0 340.431 3.306 50 30 EGEARN COc1ccc2ccccc2c1/C=N\NS(=O)(=O)c1ccccc1 ZINC000013617406 201903824 /nfs/dbraw/zinc/90/38/24/201903824.db2.gz SMFOOCSIFWWQQE-UYRXBGFRSA-N 0 0 340.404 3.161 50 30 EGEARN C=CCOC(=O)COc1cc(C)cc2oc(=O)c3c(c12)CCCC3 ZINC000002479788 209857015 /nfs/dbraw/zinc/85/70/15/209857015.db2.gz ZLAOMHXAEUFKIM-UHFFFAOYSA-N 0 0 328.364 3.088 50 30 EGEARN COc1ccc(OC)c(CNc2nc(C)c([N+](=O)[O-])c(C)c2C#N)c1 ZINC000019315329 202004502 /nfs/dbraw/zinc/00/45/02/202004502.db2.gz JQLNMIJAKICSER-UHFFFAOYSA-N 0 0 342.355 3.108 50 30 EGEARN CNC(=O)O[C@H]1C=CC(=O)[C@](C)(c2ccc(-c3ccccc3)cc2)O1 ZINC000033815018 202269982 /nfs/dbraw/zinc/26/99/82/202269982.db2.gz WAFJSVJRYUCSTB-QUCCMNQESA-N 0 0 337.375 3.406 50 30 EGEARN CCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1cccc(Cl)c1 ZINC000000196646 201446865 /nfs/dbraw/zinc/44/68/65/201446865.db2.gz JYXNWRVDKRYTIA-AWEZNQCLSA-N 0 0 347.798 3.194 50 30 EGEARN N#CCCN1C(=O)S/C(=C/c2cccc(Br)c2)C1=O ZINC000002529535 201534871 /nfs/dbraw/zinc/53/48/71/201534871.db2.gz ROGONWUYMZZYOC-DHZHZOJOSA-N 0 0 337.198 3.399 50 30 EGEARN CCCCOc1ccc([C@H]2NC(=O)NC(C)=C2C(C)=O)cc1OCC ZINC000004180569 201592531 /nfs/dbraw/zinc/59/25/31/201592531.db2.gz DLUJNLVKFDCVPR-GOSISDBHSA-N 0 0 346.427 3.481 50 30 EGEARN Brc1ccc(CN=Nc2nncc(-c3ccccc3)n2)o1 ZINC000004302907 201596386 /nfs/dbraw/zinc/59/63/86/201596386.db2.gz GMJUORZCJSMZIR-LZYBPNLTSA-N 0 0 344.172 3.340 50 30 EGEARN COc1ccc(-c2cc(-c3ccc(CO)o3)c(C#N)c(N)n2)c(F)c1 ZINC000067840818 202939161 /nfs/dbraw/zinc/93/91/61/202939161.db2.gz KXOZOMWMCGINRY-UHFFFAOYSA-N 0 0 339.326 3.102 50 30 EGEARN C=CCn1c(SCC(C)=O)nc2sc3c(c2c1=O)CCCC3 ZINC000000137231 205408308 /nfs/dbraw/zinc/40/83/08/205408308.db2.gz YYEPVELHAYMUAH-UHFFFAOYSA-N 0 0 334.466 3.204 50 30 EGEARN Cc1cc(C)c(C#N)c(SC[C@H](O)COCc2ccccc2)n1 ZINC000005353245 205769370 /nfs/dbraw/zinc/76/93/70/205769370.db2.gz QBYMKHIEFYOMEC-MRXNPFEDSA-N 0 0 328.437 3.240 50 30 EGEARN C=CCc1nnc(NC(=O)Cc2coc3ccc(OC)cc23)s1 ZINC000008915758 211017523 /nfs/dbraw/zinc/01/75/23/211017523.db2.gz OPGRYSIYYGFPCM-UHFFFAOYSA-N 0 0 329.381 3.203 50 30 EGEARN S=C(N/N=C/c1cc2c(cc1Cl)OCO2)Nc1ccccc1 ZINC000005595296 210497477 /nfs/dbraw/zinc/49/74/77/210497477.db2.gz NKBWQLXISBKFBJ-CAOOACKPSA-N 0 0 333.800 3.389 50 30 EGEARN C=CCN(Cc1cccnc1)C(=O)[C@@H](CC)Nc1cccc(OC)c1 ZINC000065382577 258011979 /nfs/dbraw/zinc/01/19/79/258011979.db2.gz CIJXWCQGAHQFNI-LJQANCHMSA-N 0 0 339.439 3.496 50 30 EGEARN C=C(C)COc1ccccc1CN1CCN(c2ncccc2C#N)CC1 ZINC000065431597 258012241 /nfs/dbraw/zinc/01/22/41/258012241.db2.gz RUIBPLKBODAAGS-UHFFFAOYSA-N 0 0 348.450 3.230 50 30 EGEARN COC(=O)c1cc(-c2ccc(Cl)cc2Cl)n2ncc(C#N)c2n1 ZINC000006490480 258051958 /nfs/dbraw/zinc/05/19/58/258051958.db2.gz SXNWZBHOTMYNIB-UHFFFAOYSA-N 0 0 347.161 3.361 50 30 EGEARN N#Cc1nc(-c2cccnc2)oc1N1CCN(c2ccccc2F)CC1 ZINC000035672188 132389970 /nfs/dbraw/zinc/38/99/70/132389970.db2.gz OAAVUBHKRAPDID-UHFFFAOYSA-N 0 0 349.369 3.074 50 30 EGEARN C#Cc1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000003997419 275387942 /nfs/dbraw/zinc/38/79/42/275387942.db2.gz GUOUQZZIUSOCTE-UHFFFAOYSA-N 0 0 336.210 3.231 50 30 EGEARN CCc1ccc([C@@H]2C3C(=O)c4ccccc4C3=Nc3ncnn32)cc1 ZINC000005389384 276670458 /nfs/dbraw/zinc/67/04/58/276670458.db2.gz LGMKOJMYLKFQTJ-GOSISDBHSA-N 0 0 328.375 3.463 50 30 EGEARN CC(=O)OC1(C#CI)C2CC3CC(C2)CC1C3 ZINC000000088695 278217813 /nfs/dbraw/zinc/21/78/13/278217813.db2.gz KJCWEQWNIJHKOK-UHFFFAOYSA-N 0 0 344.192 3.140 50 30 EGEARN Cc1cc(C)c(C#N)c(N2CCC[C@]3(CCC(=O)N(C(C)C)C3)C2)n1 ZINC000077389465 278658040 /nfs/dbraw/zinc/65/80/40/278658040.db2.gz VLBRUDCEZJNNQP-FQEVSTJZSA-N 0 0 340.471 3.188 50 30 EGEARN COc1ccc([C@H]2CC(=O)N(C)C3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000000480645 295247198 /nfs/dbraw/zinc/24/71/98/295247198.db2.gz UGGDNUMIKUSFSO-CYBMUJFWSA-N 0 0 343.423 3.293 50 30 biogenic EGEARN CCCCCCCCCc1c(O)nc(SCC[NH+](C)C)[n-]c1=O ZINC000097994912 454448490 /nfs/dbraw/zinc/44/84/90/454448490.db2.gz FECOLGWMBGIUKH-UHFFFAOYSA-N 0 0 341.521 3.422 50 30 EGEARN CC(=O)C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1ccc(C(C)C)cc1 ZINC000000096617 452505481 /nfs/dbraw/zinc/50/54/81/452505481.db2.gz NYGOHHRVPKTXKW-FUHWJXTLSA-N 0 0 343.423 3.273 50 30 EGEARN CCOC(=O)[C@@H](C#N)[C@H](Cc1ccccc1)c1ccc2c(c1)OCO2 ZINC000000169030 452525512 /nfs/dbraw/zinc/52/55/12/452525512.db2.gz SHOOUTRHZYZRBO-SJORKVTESA-N 0 0 337.375 3.444 50 30 EGEARN COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/O)cc1[N+](=O)[O-] ZINC000000445442 452593362 /nfs/dbraw/zinc/59/33/62/452593362.db2.gz BRCVESKZCNLXQK-VCHYOVAHSA-N 0 0 338.323 3.264 50 30 EGEARN C=CCOc1ccc(/C=c2/sc3nc4ccccc4n3c2=O)cc1 ZINC000002280533 452692723 /nfs/dbraw/zinc/69/27/23/452692723.db2.gz VFJLHNBTVNNKIW-SFQUDFHCSA-N 0 0 334.400 3.022 50 30 EGEARN CC(=O)C1=C(c2ccccc2)NC(=O)N[C@@H]1c1ccc(O)c(Cl)c1 ZINC000002881765 452733212 /nfs/dbraw/zinc/73/32/12/452733212.db2.gz UURUTQSYIFTPCY-QGZVFWFLSA-N 0 0 342.782 3.400 50 30 EGEARN CCCc1cc(=O)[nH]c(NN=Cc2c(Cl)cccc2Cl)n1 ZINC000003946823 452787668 /nfs/dbraw/zinc/78/76/68/452787668.db2.gz UJCZAJRZFOSIHF-CAOOACKPSA-N 0 0 325.199 3.475 50 30 EGEARN CCOc1ccc(/C=N/c2sc3c(c2C#N)CCN(C)C3)c(O)c1 ZINC000004150659 452795313 /nfs/dbraw/zinc/79/53/13/452795313.db2.gz CIZNKRMVXAJZDP-KEBDBYFISA-N 0 0 341.436 3.463 50 30 EGEARN CN(C)c1ccc(C=[NH+][N-]c2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000004357596 452803013 /nfs/dbraw/zinc/80/30/13/452803013.db2.gz MOEVHZJSIWNQEL-MHWRWJLKSA-N 0 0 329.316 3.015 50 30 EGEARN CCOc1ccc([C@@H]2CC(=O)NC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000004488875 452804822 /nfs/dbraw/zinc/80/48/22/452804822.db2.gz DGRVWFINJPXHMW-ZDUSSCGKSA-N 0 0 343.423 3.341 50 30 EGEARN N=C(NOC(=O)c1ccc([N+](=O)[O-])cc1)c1cccc2ccccc21 ZINC000004723545 452814482 /nfs/dbraw/zinc/81/44/82/452814482.db2.gz FRKGEXNPDFYPQS-UHFFFAOYSA-N 0 0 335.319 3.225 50 30 EGEARN Cc1cc(C)c(S(=O)(=O)NCC/N=C/c2ccccc2)c(C)c1 ZINC000004700750 452815510 /nfs/dbraw/zinc/81/55/10/452815510.db2.gz KUHGODKVCBLJHO-CPNJWEJPSA-N 0 0 330.453 3.009 50 30 EGEARN NC1=C(c2nc3ccccc3s2)C(=O)CCN1Cc1ccccc1 ZINC000005011052 452831568 /nfs/dbraw/zinc/83/15/68/452831568.db2.gz VGDPJLOAGWNIDC-UHFFFAOYSA-N 0 0 335.432 3.399 50 30 EGEARN C[C@H]1S/C(=N\N=C\c2ccccc2OCc2ccccc2)NC1=O ZINC000005233991 452850620 /nfs/dbraw/zinc/85/06/20/452850620.db2.gz SJXSDQHWOJJJBO-OTGIAGGSSA-N 0 0 339.420 3.207 50 30 EGEARN CC(=O)Oc1ccc(/C(C)=N/N2CCN(c3ccccc3)CC2)cc1 ZINC000005602623 452888778 /nfs/dbraw/zinc/88/87/78/452888778.db2.gz HXZOUTQQYKRRPT-LTGZKZEYSA-N 0 0 337.423 3.158 50 30 EGEARN Cc1cs/c(=N\N=C\c2cccc([N+](=O)[O-])c2)n1Cc1ccco1 ZINC000006479677 452946778 /nfs/dbraw/zinc/94/67/78/452946778.db2.gz YRVANJZIHSPLKA-RGJFUNKGSA-N 0 0 342.380 3.342 50 30 EGEARN C=CCSc1ncc(Cl)c(C(=O)NCc2ccc(OC)cc2)n1 ZINC000006748036 452982441 /nfs/dbraw/zinc/98/24/41/452982441.db2.gz JJPJTWLOKJMGQJ-UHFFFAOYSA-N 0 0 349.843 3.347 50 30 EGEARN O=[N+]([O-])c1ccccc1C=NNC(=Nc1ccccn1)c1ccccn1 ZINC000008036150 453152890 /nfs/dbraw/zinc/15/28/90/453152890.db2.gz URVIIWABLXZTHP-FYJGNVAPSA-N 0 0 346.350 3.278 50 30 EGEARN N#Cc1cccnc1SCC(=O)Nc1ccc(OC(F)F)cc1 ZINC000009295480 453249623 /nfs/dbraw/zinc/24/96/23/453249623.db2.gz DNBGSXWCJPHOEL-UHFFFAOYSA-N 0 0 335.335 3.285 50 30 EGEARN O=C1OC(c2ccccc2)=NC1=NNc1cccc(C(F)(F)F)c1 ZINC000012376073 453357361 /nfs/dbraw/zinc/35/73/61/453357361.db2.gz GLUUAQNCPYUWHN-LPYMAVHISA-N 0 0 333.269 3.434 50 30 EGEARN CC/C(=N\NC(N)=S)c1ccc(OCc2ccccc2)cc1OC ZINC000013617874 453473822 /nfs/dbraw/zinc/47/38/22/453473822.db2.gz YDKNPOZACINMDQ-CAPFRKAQSA-N 0 0 343.452 3.222 50 30 EGEARN Cc1csc(C2=C(N)N(c3cccc(C(F)(F)F)c3)CC2=O)n1 ZINC000013690880 453482002 /nfs/dbraw/zinc/48/20/02/453482002.db2.gz JPYOTLVWCAAKAD-UHFFFAOYSA-N 0 0 339.342 3.187 50 30 EGEARN COc1ccccc1/N=C1/SCC(=O)N1c1ccccc1OC ZINC000015987800 453590146 /nfs/dbraw/zinc/59/01/46/453590146.db2.gz KKOMQAZHAUIUQO-ISLYRVAYSA-N 0 0 328.393 3.471 50 30 EGEARN COc1ccc(/N=C2/NC(=O)[C@@H](Cc3ccc(F)cc3)S2)cc1 ZINC000016739809 453621316 /nfs/dbraw/zinc/62/13/16/453621316.db2.gz JYWICGJGYDQQGN-OAHLLOKOSA-N 0 0 330.384 3.296 50 30 EGEARN CC1=C(C(=O)OC(C)C)[C@H](c2ccc(O)cc2)C2=C(CCCC2=O)N1 ZINC000019315066 453656848 /nfs/dbraw/zinc/65/68/48/453656848.db2.gz FNXLZWXKBJJXEO-SFHVURJKSA-N 0 0 341.407 3.312 50 30 EGEARN COC1=CC=C/C(=C/C=C2\N(CCO)c3ccccc3C2(C)C)C1=O ZINC000033567497 453915979 /nfs/dbraw/zinc/91/59/79/453915979.db2.gz SQLVYYUCCFIXPO-HZCNULMQSA-N 0 0 337.419 3.256 50 30 EGEARN COC(=O)c1cccc(NC=CC(=O)c2ccc3c(c2)OCO3)c1 ZINC000044842548 454121959 /nfs/dbraw/zinc/12/19/59/454121959.db2.gz RPZNCHPTBPXVGJ-BQYQJAHWSA-N 0 0 325.320 3.010 50 30 EGEARN Cc1csc([C@@H](C)n2ccnc2-c2cc(C#CCO)cs2)n1 ZINC000071749887 454213465 /nfs/dbraw/zinc/21/34/65/454213465.db2.gz FGZVGYPVACKMLQ-GFCCVEGCSA-N 0 0 329.450 3.330 50 30 EGEARN O=C(Cn1ccc2ccc(F)cc21)Nc1n[nH]c([C@H]2CCCO2)n1 ZINC000095480904 454221478 /nfs/dbraw/zinc/22/14/78/454221478.db2.gz DPRDTHJSGGRBLI-CYBMUJFWSA-N 0 0 329.335 3.038 50 30 EGEARN CCc1cc(C#N)ccc1NC(=O)N(C)CCc1c(C)n[nH]c1C ZINC000095524439 454227782 /nfs/dbraw/zinc/22/77/82/454227782.db2.gz RTQSUAIDGHMLIT-UHFFFAOYSA-N 0 0 325.416 3.167 50 30 EGEARN COc1ccccc1/C=C/C(=O)c1c(O)c(OC)c(O)cc1OC ZINC000059773784 454262625 /nfs/dbraw/zinc/26/26/25/454262625.db2.gz CRKKMWPCJTZZRE-CMDGGOBGSA-N 0 0 330.336 3.020 50 30 endogenous EGEARN CC1=C(C(=O)OC(C)C)[C@H](c2cccnc2)C2=C(CCCC2=O)N1 ZINC000100434514 454465716 /nfs/dbraw/zinc/46/57/16/454465716.db2.gz ZGYZPDAJCODHDO-KRWDZBQOSA-N 0 0 326.396 3.001 50 30 EGEARN CCCCCCCCCCC[C@H](O)CC(=O)N[C@@H]1CCOC1=O ZINC000101234515 454469592 /nfs/dbraw/zinc/46/95/92/454469592.db2.gz IKQUESGRCDRZTI-JKSUJKDBSA-N 0 0 327.465 3.090 50 30 EGEARN Cc1[nH]c2ccccc2c(=O)c1C[C@H](C#N)C(=O)Nc1ccccc1 ZINC000065365736 454553964 /nfs/dbraw/zinc/55/39/64/454553964.db2.gz PMQOMUSKYGDVKM-CQSZACIVSA-N 0 0 331.375 3.158 50 30 EGEARN CCOc1cccc(OCCN2CCc3c(cnc(C)c3C#N)C2)c1 ZINC000065375586 454556007 /nfs/dbraw/zinc/55/60/07/454556007.db2.gz JRUJWROTPLZYAO-UHFFFAOYSA-N 0 0 337.423 3.098 50 30 EGEARN CO/C(=N/C(=N/S(=O)(=O)c1ccccc1)c1ccccc1)SC ZINC000103748548 454566532 /nfs/dbraw/zinc/56/65/32/454566532.db2.gz AIZYONHKCAFZQF-YQFKSOGVSA-N 0 0 348.449 3.188 50 30 EGEARN O=S(=O)(O[C@@H]1CC[C@@H]2CC[C@H]21)c1ccc(Br)cc1 ZINC000104949368 454612783 /nfs/dbraw/zinc/61/27/83/454612783.db2.gz ICMSWNALDAFPPO-ZWKOPEQDSA-N 0 0 331.231 3.343 50 30 EGEARN CC(=O)Nc1ccc(NC(=O)Cn2cc(C#N)c3ccccc32)cc1 ZINC000051319157 454618644 /nfs/dbraw/zinc/61/86/44/454618644.db2.gz FSIODDPYWNWDOT-UHFFFAOYSA-N 0 0 332.363 3.110 50 30 EGEARN CC(=O)OC[C@@H]1[C@H]2[C@@H]3[C@@H]([C@@H]4CCC[C@@H]42)[C@H]2C(=O)C4=C5[C@@H](CC4)[C@@H]1[C@H]3[C@H]52 ZINC000257346384 455896755 /nfs/dbraw/zinc/89/67/55/455896755.db2.gz ACNQABZCVSHDBM-LVVLDPASSA-N 0 0 338.447 3.239 50 30 EGEARN CC(C)=C1Oc2c(ccc3c2[C@H](c2cnn(C)c2C)CC(=O)O3)C1=O ZINC000217864938 456033988 /nfs/dbraw/zinc/03/39/88/456033988.db2.gz RRKDJJGVQUFWKI-LBPRGKRZSA-N 0 0 338.363 3.039 50 30 biogenic EGEARN C#CCN1c2ccccc2[C@](O)(CC(=O)c2ccc(C(C)C)cc2)C1=O ZINC000000339894 518273938 /nfs/dbraw/zinc/27/39/38/518273938.db2.gz XSJKIKMHTGGNOE-JOCHJYFZSA-N 0 0 347.414 3.250 50 30 EGEARN CC(N=Nc1nncc(-c2ccccc2)n1)c1cc([N+](=O)[O-])cs1 ZINC000005006144 518469136 /nfs/dbraw/zinc/46/91/36/518469136.db2.gz CNKXVXTYXPNAGH-VCHYOVAHSA-N 0 0 340.368 3.344 50 30 EGEARN C=CCN(Cc1ccc(S(C)(=O)=O)cc1)Cc1cccc(OC)c1 ZINC000055119514 518782084 /nfs/dbraw/zinc/78/20/84/518782084.db2.gz BIYXSJNUICTMGW-UHFFFAOYSA-N 0 0 345.464 3.287 50 30 EGEARN CCN1c2ccccc2[C@](O)(CC(=O)C=CC=Cc2ccccc2)C1=O ZINC000002062685 521731201 /nfs/dbraw/zinc/73/12/01/521731201.db2.gz GMZFERDQFWXEAH-QZGVGMRUSA-N 0 0 347.414 3.470 50 30 EGEARN CC(C)C(=O)C1=Cc2cc([N+](=O)[O-])ccc2O[C@@H]1N1CCCCC1 ZINC000022064811 1291208417 /nfs/dbraw/zinc/20/84/17/1291208417.db2.gz LGIMNUYWIJRUDW-SFHVURJKSA-N 0 0 330.384 3.408 50 30 EGEARN C=CCN(Cc1ccccc1C)S(=O)(=O)N(C)Cc1ccccc1 ZINC000952961092 1334625346 /nfs/dbraw/zinc/62/53/46/1334625346.db2.gz JLIRFNLUEDNHMC-UHFFFAOYSA-N 0 0 344.480 3.360 50 30 EGEARN C=C(C)CN(CC)C(=O)CCCc1nc(-c2cccc(OC)c2)no1 ZINC000055195883 214287397 /nfs/dbraw/zinc/28/73/97/214287397.db2.gz DFRMJBYRRTZAHJ-UHFFFAOYSA-N 0 0 343.427 3.493 50 30 EGEARN CC(=O)N1CCc2c(C#N)c(NC(=O)c3cccc(C)c3)sc2C1 ZINC000004275172 210158756 /nfs/dbraw/zinc/15/87/56/210158756.db2.gz JEILIZVYZFPPBM-UHFFFAOYSA-N 0 0 339.420 3.085 50 30 EGEARN C=CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000004083984 210116487 /nfs/dbraw/zinc/11/64/87/210116487.db2.gz AMQJCGDKERGSAU-ZDUSSCGKSA-N 0 0 341.194 3.351 50 30 EGEARN O=C1C[C@@H](c2cccs2)CC2=Nc3ncnn3[C@@H](c3cccnc3)C12 ZINC000018197306 201994335 /nfs/dbraw/zinc/99/43/35/201994335.db2.gz JMLDQNCADHTWMO-SJCJKPOMSA-N 0 0 349.419 3.150 50 30 EGEARN O=C(/C=C/c1cccc(Br)c1)c1ccccc(=O)c1O ZINC000019909653 202025190 /nfs/dbraw/zinc/02/51/90/202025190.db2.gz VYXPRNHERPGBMS-CMDGGOBGSA-N 0 0 331.165 3.411 50 30 EGEARN N#Cc1cc(C2=Nc3ccc(Br)cc3NC(=O)C2)ccn1 ZINC000100765996 283092860 /nfs/dbraw/zinc/09/28/60/283092860.db2.gz KMKZCMKOSAKVGY-UHFFFAOYSA-N 0 0 341.168 3.179 50 30 in-vitro EGEARN Cn1ncc2c1nc(C1CC1)cc2C(=O)Nc1ccc(CC#N)cc1 ZINC000036616325 202327391 /nfs/dbraw/zinc/32/73/91/202327391.db2.gz XCWYSKDHVYEUSO-UHFFFAOYSA-N 0 0 331.379 3.164 50 30 EGEARN COc1ccc2c(c1)O/C(=C\c1cc(OC)c(OC)cc1OC)C2=O ZINC000005960276 201361689 /nfs/dbraw/zinc/36/16/89/201361689.db2.gz QGKRUAYYNCFEES-LSCVHKIXSA-N 0 0 342.347 3.337 50 30 biogenic EGEARN CC(=O)C1=C(O)C(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1F ZINC000000052270 201428071 /nfs/dbraw/zinc/42/80/71/201428071.db2.gz ZJYGFKZXBKEAHE-QGZVFWFLSA-N 0 0 325.339 3.310 50 30 EGEARN N#Cc1ccc(CSc2nnc(-c3ccccc3Cl)n2N)cc1 ZINC000000531993 201485154 /nfs/dbraw/zinc/48/51/54/201485154.db2.gz IZMZZQDWLMZBRP-UHFFFAOYSA-N 0 0 341.827 3.476 50 30 EGEARN COc1ccc(OC)c(/C=N/NC(=S)Nc2ccc(F)cc2)c1 ZINC000002506452 201534233 /nfs/dbraw/zinc/53/42/33/201534233.db2.gz XNRYYPYXJBYGPX-VCHYOVAHSA-N 0 0 333.388 3.163 50 30 EGEARN N#Cc1cnc2c(-c3ccccc3)c(Cc3ccccc3)nn2c1N ZINC000006697101 201690609 /nfs/dbraw/zinc/69/06/09/201690609.db2.gz HAGVPSJSVCKBGL-UHFFFAOYSA-N 0 0 325.375 3.441 50 30 EGEARN C=C(C)Cn1c2c(c(=O)[nH]c1=S)CN([C@@H](C)c1ccccc1)CN2 ZINC000020567558 212148183 /nfs/dbraw/zinc/14/81/83/212148183.db2.gz HHADENGWRXKHNL-ZDUSSCGKSA-N 0 0 342.468 3.428 50 30 EGEARN COc1ccc(C(=O)Cc2nc3cc(C)ccc3oc2=O)c(OC)c1 ZINC000101355701 204004989 /nfs/dbraw/zinc/00/49/89/204004989.db2.gz BWDPWQFORQWOSX-XNTDXEJSSA-N 0 0 339.347 3.110 50 30 EGEARN C=CCC1(OC)CCN(C(=O)Nc2ccc(C(=O)OC)cc2C)CC1 ZINC000095521422 218426006 /nfs/dbraw/zinc/42/60/06/218426006.db2.gz IAKSUIZEPMWOTA-UHFFFAOYSA-N 0 0 346.427 3.371 50 30 EGEARN O=S1(=O)CCC(=NNc2ccc(Cl)cc2)c2ccsc21 ZINC000005674230 285051122 /nfs/dbraw/zinc/05/11/22/285051122.db2.gz QNOHKWLTLUIGRJ-FOWTUZBSSA-N 0 0 326.830 3.395 50 30 EGEARN OC[C@](F)([C@@H](F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000095671206 258067299 /nfs/dbraw/zinc/06/72/99/258067299.db2.gz PCGUNVYNJIFBQT-GBXIJSLDSA-N 0 0 332.084 3.420 50 30 EGEARN CCc1cc(C#N)ccc1NC(=O)N(CCOC)Cc1ccccn1 ZINC000299759101 258076572 /nfs/dbraw/zinc/07/65/72/258076572.db2.gz NNLBIYLTZLLFNO-UHFFFAOYSA-N 0 0 338.411 3.196 50 30 EGEARN C[C@@H]1CC[C@@]23OC(=N)[C@@](C#N)([C@@H]2C1)C(C#N)(C#N)[C@H](c1ccccc1)O3 ZINC000230127198 296669363 /nfs/dbraw/zinc/66/93/63/296669363.db2.gz GHTRPRHOWLFKPL-GFDPAEIDSA-N 0 0 346.390 3.441 50 30 EGEARN C[C@@H](CCc1ccccc1)N1CC(=O)C(c2nc3ccccc3[nH]2)=C1N ZINC000006700586 274211194 /nfs/dbraw/zinc/21/11/94/274211194.db2.gz IDJYMGIADFGRJN-AWEZNQCLSA-N 0 0 346.434 3.096 50 30 EGEARN CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1cccnc1 ZINC000101163295 279530553 /nfs/dbraw/zinc/53/05/53/279530553.db2.gz WJPKBMAABYJLFS-QGZVFWFLSA-N 0 0 346.386 3.213 50 30 EGEARN Cc1cccc(N/N=C2\Oc3ccc4c(C)cc(=O)oc4c3C2=O)c1 ZINC000005730681 281223313 /nfs/dbraw/zinc/22/33/13/281223313.db2.gz ZKQPKRZUJWKFCA-VZCXRCSSSA-N 0 0 334.331 3.411 50 30 biogenic EGEARN COc1ccc([C@@H]2CC(=O)[C@H](C(C)C)C(C#N)(C#N)C2(C#N)C#N)cc1 ZINC000000506221 295218315 /nfs/dbraw/zinc/21/83/15/295218315.db2.gz ISMQMIQHILILPT-WMZOPIPTSA-N 0 0 346.390 3.091 50 30 EGEARN COc1ccc([C@@H]2CC(=O)[C@@H](C(C)C)C(C#N)(C#N)C2(C#N)C#N)cc1 ZINC000000506222 295218391 /nfs/dbraw/zinc/21/83/91/295218391.db2.gz ISMQMIQHILILPT-FUHWJXTLSA-N 0 0 346.390 3.091 50 30 EGEARN Cc1ccc([C@H]2CC(=O)N(N(C)C)C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000001429570 301808855 /nfs/dbraw/zinc/80/88/55/301808855.db2.gz MMBCUIQIPADEBZ-OAHLLOKOSA-N 0 0 326.440 3.431 50 30 EGEARN O=C1CCCC2=Nc3ncnn3[C@@H](c3cccc(Br)c3)C12 ZINC000000067000 452498483 /nfs/dbraw/zinc/49/84/83/452498483.db2.gz CPPMKZOWANCDIU-AWEZNQCLSA-N 0 0 345.200 3.063 50 30 EGEARN COC(=O)c1c(/N=C/c2ccc(C)cc2O)sc2c1CCN(C)C2 ZINC000000247985 452545428 /nfs/dbraw/zinc/54/54/28/452545428.db2.gz MRDSOCFTJOHKKW-DJKKODMXSA-N 0 0 344.436 3.287 50 30 EGEARN COC(=O)[C@]1(C)CCC[C@]2(C)c3ccccc3C(=O)C(OC(C)=O)=C12 ZINC000000393180 452579767 /nfs/dbraw/zinc/57/97/67/452579767.db2.gz HAUMAEDQWYEBSS-WOJBJXKFSA-N 0 0 342.391 3.321 50 30 EGEARN CC(O)=C1C(=O)C(=O)N(c2nccs2)[C@@H]1c1ccc(Cl)cc1 ZINC000000450242 452594848 /nfs/dbraw/zinc/59/48/48/452594848.db2.gz IHILZCUTYQDRNT-GFCCVEGCSA-N 0 0 334.784 3.286 50 30 EGEARN Cc1cc(C)n(-c2nnc(C)n2/N=C/c2ccc(OC(C)C)cc2)n1 ZINC000000460987 452598604 /nfs/dbraw/zinc/59/86/04/452598604.db2.gz QRIOKAULVAVZCA-YBFXNURJSA-N 0 0 338.415 3.058 50 30 EGEARN CCc1ccc(N=C2NC(=O)C[C@H](C(=O)Nc3ccccc3)N2)cc1 ZINC000000528213 452615099 /nfs/dbraw/zinc/61/50/99/452615099.db2.gz ZSCQPJRVOGHKQX-MRXNPFEDSA-N 0 0 336.395 3.194 50 30 EGEARN Cc1cccc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)n1 ZINC000001008600 452641553 /nfs/dbraw/zinc/64/15/53/452641553.db2.gz DTUAVJFNZZSBMJ-CXUHLZMHSA-N 0 0 335.388 3.498 50 30 EGEARN C=CCn1c2ccccc2c2nnc(S[C@@H](C)C(=O)OCC)nc21 ZINC000001117070 452647525 /nfs/dbraw/zinc/64/75/25/452647525.db2.gz FDHNFOFKCHVNMZ-NSHDSACASA-N 0 0 342.424 3.209 50 30 EGEARN Fc1cccc(Cl)c1C=NN1C(=S)N=NC1c1cccnc1 ZINC000001296322 452650629 /nfs/dbraw/zinc/65/06/29/452650629.db2.gz QINWBRXKHDWPDA-QGMBQPNBSA-N 0 0 333.779 3.304 50 30 EGEARN CCc1nn(-c2cc(Oc3cccc(C)c3)nc(C)n2)c(N)c1C#N ZINC000002182961 452688042 /nfs/dbraw/zinc/68/80/42/452688042.db2.gz YWLBUPYQOTUZMG-UHFFFAOYSA-N 0 0 334.383 3.088 50 30 EGEARN O=c1[nH]c(NN=Cc2cccc(Br)c2)nc2ccccc12 ZINC000004017791 452790414 /nfs/dbraw/zinc/79/04/14/452790414.db2.gz DIQISAJUSLFXAB-RQZCQDPDSA-N 0 0 343.184 3.132 50 30 EGEARN COCc1cc(C)nc(SCC(=O)Nc2cccc(F)c2)c1C#N ZINC000004413903 452801857 /nfs/dbraw/zinc/80/18/57/452801857.db2.gz FJZGPMJCPIQMEM-UHFFFAOYSA-N 0 0 345.399 3.278 50 30 EGEARN CCOP(=O)(OCC)[C@@H](C#N)c1c(F)c(F)nc(F)c1F ZINC000004548769 452809203 /nfs/dbraw/zinc/80/92/03/452809203.db2.gz ACOYGSVKZHBDHA-LURJTMIESA-N 0 0 326.186 3.469 50 30 EGEARN Cc1ccc(-c2csc(N=NCc3ccc(O)cc3O)n2)cc1 ZINC000004582247 452811272 /nfs/dbraw/zinc/81/12/72/452811272.db2.gz ABFGPZORLOTVDS-GIJQJNRQSA-N 0 0 325.393 3.398 50 30 EGEARN NC1=C(c2nc3ccccc3s2)C(=O)CN1c1cccc(F)c1 ZINC000005009224 452831467 /nfs/dbraw/zinc/83/14/67/452831467.db2.gz UJZZZHMVCFECAF-UHFFFAOYSA-N 0 0 325.368 3.152 50 30 EGEARN COc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc(OC)c1OC ZINC000005129096 452837602 /nfs/dbraw/zinc/83/76/02/452837602.db2.gz UDHVYWAGOFBWLU-GQCTYLIASA-N 0 0 342.347 3.337 50 30 EGEARN O=S(=O)(N/N=C/c1ccc(Cl)s1)c1ccc(Cl)cc1 ZINC000006225703 452926688 /nfs/dbraw/zinc/92/66/88/452926688.db2.gz SQTCZIRJQDYQGZ-VGOFMYFVSA-N 0 0 335.237 3.367 50 30 EGEARN CC(C)(C)c1ccc(C(=O)ONC(=N)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000006357459 452936438 /nfs/dbraw/zinc/93/64/38/452936438.db2.gz ASWMEZSRXPAHPQ-UHFFFAOYSA-N 0 0 341.367 3.370 50 30 EGEARN O=C(C1=C(O)C(=O)N[C@@H]1c1ccccc1F)c1ccc(Cl)cc1 ZINC000006493933 452946970 /nfs/dbraw/zinc/94/69/70/452946970.db2.gz WEOCIKMGOOZREO-CQSZACIVSA-N 0 0 331.730 3.345 50 30 EGEARN N#Cc1cccnc1SCC(=O)Nc1cccc(Br)c1 ZINC000007051442 453024433 /nfs/dbraw/zinc/02/44/33/453024433.db2.gz JIFDEPSLMHBBTF-UHFFFAOYSA-N 0 0 348.225 3.447 50 30 EGEARN COc1cccc(/C=C/c2nc(C#N)c(NC[C@@H]3CCCO3)o2)c1 ZINC000008494538 453209599 /nfs/dbraw/zinc/20/95/99/453209599.db2.gz KPGLUCOCXIIUER-KIUWMYQTSA-N 0 0 325.368 3.316 50 30 EGEARN O=C1N/C(=N/c2ccccc2)S[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000009058630 453241306 /nfs/dbraw/zinc/24/13/06/453241306.db2.gz OFUSUYFICBTORD-CQSZACIVSA-N 0 0 327.365 3.057 50 30 EGEARN CC1(C)CC(=O)C2=C(C1)Nc1[nH][nH]c(=O)c1[C@@H]2c1ccccc1F ZINC000012348632 453356851 /nfs/dbraw/zinc/35/68/51/453356851.db2.gz VROWFWQGPKMLPZ-CYBMUJFWSA-N 0 0 327.359 3.455 50 30 EGEARN CC1(C)CC(=O)C2C(=Nc3nonc3N[C@@H]2c2cccc(F)c2)C1 ZINC000012390989 453358451 /nfs/dbraw/zinc/35/84/51/453358451.db2.gz DMEFGPRJZJXBGQ-CQSZACIVSA-N 0 0 328.347 3.431 50 30 EGEARN CC1(C)CC(=O)C2=C(C1)Nc1[nH][nH]c(=O)c1[C@@H]2c1ccc(F)cc1 ZINC000018195579 453647827 /nfs/dbraw/zinc/64/78/27/453647827.db2.gz HRJXVTDCLINUDZ-CYBMUJFWSA-N 0 0 327.359 3.455 50 30 EGEARN Cc1cccc(C[C@H]2S/C(=N\N=C\c3ccccc3F)NC2=O)c1 ZINC000018209387 453648821 /nfs/dbraw/zinc/64/88/21/453648821.db2.gz NXPZKOGKJUYCBP-MBTVCVBTSA-N 0 0 341.411 3.298 50 30 EGEARN N=C(NN=Cc1cccc(Cl)c1)NN=Cc1cccc(Cl)c1 ZINC000067350964 453924226 /nfs/dbraw/zinc/92/42/26/453924226.db2.gz SAVZRZOWEOKYQF-LQGKIZFRSA-N 0 0 334.210 3.475 50 30 EGEARN COc1ccc(NC(=O)[C@H](C#N)Cc2cc(OC)ccc2OC)cc1 ZINC000057525126 454134422 /nfs/dbraw/zinc/13/44/22/454134422.db2.gz OWGDKRQHANDTQW-AWEZNQCLSA-N 0 0 340.379 3.033 50 30 EGEARN CO[C@@H]1CCCN(c2ccc(NC(=O)c3cccc(C#N)c3)cc2)C1 ZINC000096122428 454288359 /nfs/dbraw/zinc/28/83/59/454288359.db2.gz PYIFGBKLEFSLKZ-LJQANCHMSA-N 0 0 335.407 3.426 50 30 EGEARN CO[C@H]1CCN(c2ccc(NC(=O)CCc3ccc(C#N)cc3)cc2)C1 ZINC000096122262 454288533 /nfs/dbraw/zinc/28/85/33/454288533.db2.gz NSUKDVBKKGBJHY-FQEVSTJZSA-N 0 0 349.434 3.355 50 30 EGEARN COc1ccccc1[C@@H]1CC(=O)OC2=C1C(=O)c1ccccc1C2=O ZINC000100790675 454467995 /nfs/dbraw/zinc/46/79/95/454467995.db2.gz RCFWLGVUHKTXJB-AWEZNQCLSA-N 0 0 334.327 3.059 50 30 biogenic EGEARN CC(=O)OC[C@@H]1[C@@H]2[C@H]3CCC[C@H]3[C@H]3[C@H]4C(=O)C5=C6[C@@H](CC5)[C@@H]1[C@H]([C@H]64)[C@H]32 ZINC000257346383 455896549 /nfs/dbraw/zinc/89/65/49/455896549.db2.gz ACNQABZCVSHDBM-AKEPHJSUSA-N 0 0 338.447 3.239 50 30 EGEARN C[C@@]12C[C@@H](O)[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC/C2=C\CO ZINC000257358187 455897662 /nfs/dbraw/zinc/89/76/62/455897662.db2.gz SBMHTRUNPKWTLU-ROQJIDASSA-N 0 0 330.468 3.408 50 30 EGEARN C#CCn1c2ccc([N+](=O)[O-])cc2s/c1=N\C(=O)c1cccs1 ZINC000100875436 518344860 /nfs/dbraw/zinc/34/48/60/518344860.db2.gz PTMMLPKWPXMKCH-NXVVXOECSA-N 0 0 343.389 3.047 50 30 EGEARN C=CCC(=O)N1CCC[C@H](CCC(=O)NCc2ccccc2F)C1 ZINC000012749940 518686825 /nfs/dbraw/zinc/68/68/25/518686825.db2.gz FNJQSKMYOZWQNY-OAHLLOKOSA-N 0 0 332.419 3.037 50 30 EGEARN C=CCN(Cc1ccccc1Cl)C(=O)[C@@H]1CCC(=O)N(CC)C1 ZINC000055341100 518785965 /nfs/dbraw/zinc/78/59/65/518785965.db2.gz WGHFIUAFFZHAOX-OAHLLOKOSA-N 0 0 334.847 3.113 50 30 EGEARN CCNc1ccccc(C(=O)/C=C/c2cccc(OC)c2OC)c1=O ZINC000004667357 520336482 /nfs/dbraw/zinc/33/64/82/520336482.db2.gz DXXCJFHMKLUMMI-OUKQBFOZSA-N 0 0 339.391 3.392 50 30 EGEARN CCOc1cc(C=Nc2nc[nH]n2)ccc1OCc1ccccc1C#N ZINC000000459635 520644530 /nfs/dbraw/zinc/64/45/30/520644530.db2.gz DRXRBOJEDFFAGM-SRZZPIQSSA-N 0 0 347.378 3.405 50 30 EGEARN CCCCOc1ccccc1/C=N/NS(=O)(=O)c1ccccc1 ZINC000003084669 520911935 /nfs/dbraw/zinc/91/19/35/520911935.db2.gz MPSXGBOGHXSTKU-NBVRZTHBSA-N 0 0 332.425 3.178 50 30 EGEARN CCOC(=O)c1sc(N=NCc2ccc(OCC)cc2)nc1C ZINC000003961736 521610345 /nfs/dbraw/zinc/61/03/45/521610345.db2.gz MMLFUBIDAXEQNC-LICLKQGHSA-N 0 0 333.413 3.473 50 30 EGEARN Cc1cccc(C(=N)NOC(=O)[C@@H](C)Oc2cccc(Cl)c2)c1 ZINC000004723526 524151928 /nfs/dbraw/zinc/15/19/28/524151928.db2.gz XMMGIRDREZNWKL-GFCCVEGCSA-N 0 0 332.787 3.279 50 30 EGEARN C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)ONC(=N)c1ccncc1 ZINC000005077602 525923357 /nfs/dbraw/zinc/92/33/57/525923357.db2.gz XQVKGGCMDQTQOI-CYBMUJFWSA-N 0 0 341.411 3.010 50 30 EGEARN Cc1ccc(C(=O)ONC(=N)c2cccc([N+](=O)[O-])c2)c(Cl)c1 ZINC000018161710 526237317 /nfs/dbraw/zinc/23/73/17/526237317.db2.gz LAHKWVHNPJPLQC-UHFFFAOYSA-N 0 0 333.731 3.034 50 30 EGEARN N=C(NOC(=O)C1CCCCC1)c1ccc(Br)cc1 ZINC000004191627 526807235 /nfs/dbraw/zinc/80/72/35/526807235.db2.gz GALDAVQKPRIRIY-UHFFFAOYSA-N 0 0 325.206 3.193 50 30 EGEARN CC(C)(C)c1csc([C@@H]2CN(c3ccc(C#N)cn3)CCO2)n1 ZINC000065492405 535150658 /nfs/dbraw/zinc/15/06/58/535150658.db2.gz PIFHRDHRNKZKAI-ZDUSSCGKSA-N 0 0 328.441 3.285 50 30 EGEARN COc1cccc([C@@H]2CCN2C(=O)c2ccc(C#CC(C)(C)O)cc2)c1 ZINC000065526059 546565998 /nfs/dbraw/zinc/56/59/98/546565998.db2.gz VVDUGNCRTUALON-FQEVSTJZSA-N 0 0 349.430 3.405 50 30 EGEARN CCCn1ncc(C(=O)N2CCC(C#N)(c3ccccc3)CC2)c1C ZINC000215948880 547238865 /nfs/dbraw/zinc/23/88/65/547238865.db2.gz RFKQWLJNYXEOJZ-UHFFFAOYSA-N 0 0 336.439 3.299 50 30 EGEARN C=CCSc1nc2c(c(=O)[nH]1)[C@H](c1cccc(C)c1F)CC(=O)N2 ZINC000670416182 548213248 /nfs/dbraw/zinc/21/32/48/548213248.db2.gz WNUOVVNGJPJAMH-NSHDSACASA-N 0 0 345.399 3.382 50 30 EGEARN O=C(CC1=C(c2ccccc2)CCC1=O)NCc1cccc(CO)c1 ZINC000828827625 1292504990 /nfs/dbraw/zinc/50/49/90/1292504990.db2.gz UCJLPDURLALMOV-UHFFFAOYSA-N 0 0 335.403 3.002 50 30 EGEARN CCc1ccccc1NC(=O)CCC(=O)N1CCC(C)(C#N)CC1 ZINC000952868304 1334583627 /nfs/dbraw/zinc/58/36/27/1334583627.db2.gz JGVJYTOFWIHZBW-UHFFFAOYSA-N 0 0 327.428 3.120 50 30 EGEARN CSc1cccc(CNC(=O)c2ccc(C#CC(C)(C)O)o2)c1 ZINC000952980718 1334628983 /nfs/dbraw/zinc/62/89/83/1334628983.db2.gz RAWSYOQLQDYVLX-UHFFFAOYSA-N 0 0 329.421 3.054 50 30 EGEARN Cc1nc(N2CCC(Cc3ccc(=O)[nH]c3)CC2)c(C#N)c(C)c1C ZINC001772819416 1441417798 /nfs/dbraw/zinc/41/77/98/1441417798.db2.gz LAXWBILFMDVHEO-UHFFFAOYSA-N 0 0 336.439 3.438 50 30 EGEARN COc1ccc(-c2nn(C)c(N)c2N=Nc2ccccc2Cl)cc1 ZINC000003767633 210074833 /nfs/dbraw/zinc/07/48/33/210074833.db2.gz AKSWVYDDAZCSOX-RWGRRXIQSA-N 0 0 341.802 3.443 50 30 EGEARN N#Cc1ccc2c(ccn2CC(=O)Nc2ccnn2-c2ccccc2)c1 ZINC000019300810 202004349 /nfs/dbraw/zinc/00/43/49/202004349.db2.gz NBQVEPYIUJVRAU-UHFFFAOYSA-N 0 0 341.374 3.337 50 30 EGEARN N#Cc1ccc(-c2ccccc2)nc1SCCN1CCOCC1 ZINC000019758614 202019605 /nfs/dbraw/zinc/01/96/05/202019605.db2.gz QECYQCBZALYEDH-UHFFFAOYSA-N 0 0 325.437 3.045 50 30 EGEARN CSc1nc(NC[C@H](C)O)c(C#N)c(-c2ccc(Cl)cc2)n1 ZINC000019820544 202022413 /nfs/dbraw/zinc/02/24/13/202022413.db2.gz AKBWJEHYWSKKPN-VIFPVBQESA-N 0 0 334.832 3.183 50 30 EGEARN COC(=O)c1cc(C#N)c(NCc2cc(-c3ccccc3)no2)nc1C ZINC000020385955 202040370 /nfs/dbraw/zinc/04/03/70/202040370.db2.gz HLUQDXYFLVUQHI-UHFFFAOYSA-N 0 0 348.362 3.315 50 30 EGEARN CC(=O)O/N=c1\oc2ccccc2cc1C(=O)Nc1cccc(F)c1 ZINC000020849194 202056511 /nfs/dbraw/zinc/05/65/11/202056511.db2.gz ZCEROSFTJOPMNK-UZYVYHOESA-N 0 0 340.310 3.203 50 30 EGEARN Cc1ccc(CN2CCN(/N=C\c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000022107574 202079897 /nfs/dbraw/zinc/07/98/97/202079897.db2.gz DMNHFELRKXRCRA-ZHZULCJRSA-N 0 0 338.411 3.055 50 30 EGEARN N#Cc1ccccc1NC(=O)c1sc2nc3c(cc2c1N)CCC3 ZINC000000127868 283216821 /nfs/dbraw/zinc/21/68/21/283216821.db2.gz PPPYJVCKRAUYNJ-UHFFFAOYSA-N 0 0 334.404 3.491 50 30 EGEARN CC(C)c1nc(OCC(=O)NCc2ccccc2)c(C#N)c2c1CCC2 ZINC000032104748 202221087 /nfs/dbraw/zinc/22/10/87/202221087.db2.gz NXYBAZUWKAQYHU-UHFFFAOYSA-N 0 0 349.434 3.261 50 30 EGEARN COc1ccc(C[C@@H](C#N)C(=O)Nc2ccccc2F)c(OC)c1 ZINC000057525151 202723432 /nfs/dbraw/zinc/72/34/32/202723432.db2.gz MUPJOTAYEFXBHG-ZDUSSCGKSA-N 0 0 328.343 3.164 50 30 EGEARN C=CCOC(=O)[C@@H]1CC=CC[C@H]1C(=O)OCc1ccc(F)cc1F ZINC000023279735 212366230 /nfs/dbraw/zinc/36/62/30/212366230.db2.gz TVWMSLAJFYBAJH-HUUCEWRRSA-N 0 0 336.334 3.320 50 30 EGEARN Cc1ccc(C#N)c(SCC(=O)N[C@H](C)CCc2ccccc2)n1 ZINC000072265545 203185829 /nfs/dbraw/zinc/18/58/29/203185829.db2.gz YLTLLZDNPGIHFJ-CQSZACIVSA-N 0 0 339.464 3.491 50 30 EGEARN O=C1CCCC2=Nc3ncnn3[C@H](c3ccccc3C(F)(F)F)C12 ZINC000018195925 284786701 /nfs/dbraw/zinc/78/67/01/284786701.db2.gz OSMSOPRNZXMHBC-CQSZACIVSA-N 0 0 334.301 3.319 50 30 EGEARN C=CCNc1cnn(CC(=O)c2ccc(Cl)cc2)c(=O)c1Cl ZINC000004049960 207071772 /nfs/dbraw/zinc/07/17/72/207071772.db2.gz YZHYCPBEMFNRBL-UHFFFAOYSA-N 0 0 338.194 3.031 50 30 EGEARN C=CCn1c(CCNC(=O)c2ccccc2OC)nc2ccccc21 ZINC000002721463 258047051 /nfs/dbraw/zinc/04/70/51/258047051.db2.gz GTGAXFLWLAVXHY-UHFFFAOYSA-N 0 0 335.407 3.203 50 30 EGEARN C=CCN(Cc1ccccc1C)C(=O)[C@@H](C)Cn1nc(C)nc1C ZINC000055053610 258014860 /nfs/dbraw/zinc/01/48/60/258014860.db2.gz MHPMJQBBBBZZBO-HNNXBMFYSA-N 0 0 326.444 3.054 50 30 EGEARN C=CCNC(=O)c1coc(COc2ccc3ccc(OC)cc3c2)n1 ZINC000011999309 258017650 /nfs/dbraw/zinc/01/76/50/258017650.db2.gz SQCANWZDKWMCFR-UHFFFAOYSA-N 0 0 338.363 3.331 50 30 EGEARN N#Cc1ccc(NC(=O)N2CCCC[C@@H]2CCc2ccccn2)cn1 ZINC000299772792 258084656 /nfs/dbraw/zinc/08/46/56/258084656.db2.gz BXRVOJZPLVHQEF-GOSISDBHSA-N 0 0 335.411 3.367 50 30 EGEARN CC(=O)O[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]45O[C@]35CC[C@@]12C ZINC000257346478 258073693 /nfs/dbraw/zinc/07/36/93/258073693.db2.gz JLQLCPKXYHMMHD-UXXOSCIKSA-N 0 0 330.424 3.335 50 30 EGEARN CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccs1 ZINC000003176589 285671924 /nfs/dbraw/zinc/67/19/24/285671924.db2.gz XTDLKZYNBFTMOO-CQSZACIVSA-N 0 0 347.436 3.239 50 30 EGEARN Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)NC(C)(C)C)n1 ZINC000000139447 452517641 /nfs/dbraw/zinc/51/76/41/452517641.db2.gz JIGREOAFYCOJOD-UHFFFAOYSA-N 0 0 331.363 3.287 50 30 EGEARN CC(C)(C)[C@H]1CCc2nc(N)c(C#N)c(-c3ccc(CO)o3)c2C1 ZINC000071757142 275533372 /nfs/dbraw/zinc/53/33/72/275533372.db2.gz DAFMERSUQISHSP-NSHDSACASA-N 0 0 325.412 3.439 50 30 EGEARN Cc1c(Cl)cccc1N1CC(=O)C(c2nc3ccccc3[nH]2)=C1N ZINC000005009253 280232432 /nfs/dbraw/zinc/23/24/32/280232432.db2.gz IGQLYNXQFQZZNT-UHFFFAOYSA-N 0 0 338.798 3.241 50 30 EGEARN C[C@@H]1CN(CN2c3ccccc3/C(=N\c3ccccc3)C2=O)C[C@H](C)O1 ZINC000100153734 297010565 /nfs/dbraw/zinc/01/05/65/297010565.db2.gz LBEGJLYBEASKPC-HWGJHUBPSA-N 0 0 349.434 3.221 50 30 EGEARN C=CCn1c2nc(-c3ccc4c(c3)OCO4)[nH]c(=O)c2sc1=S ZINC000000108804 452511108 /nfs/dbraw/zinc/51/11/08/452511108.db2.gz VBKKOJLJGCLRDA-UHFFFAOYSA-N 0 0 345.405 3.097 50 30 EGEARN COc1cc(C(=O)C=CNc2ccccc2O)cc(OC)c1OC ZINC000000301709 452556989 /nfs/dbraw/zinc/55/69/89/452556989.db2.gz PHMPBCPSWGNNSZ-CMDGGOBGSA-N 0 0 329.352 3.227 50 30 EGEARN N#Cc1cn(CC(=O)N2CCCCC2)c2ccc(Br)cc12 ZINC000000555392 452620173 /nfs/dbraw/zinc/62/01/73/452620173.db2.gz UZJFLXRVJQNIQI-UHFFFAOYSA-N 0 0 346.228 3.288 50 30 EGEARN CC(=O)C1=C(O)C(=O)N(Cc2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000000549405 452620268 /nfs/dbraw/zinc/62/02/68/452620268.db2.gz RGYWIDQGVHRDLH-KRWDZBQOSA-N 0 0 325.339 3.310 50 30 EGEARN O=c1c2ccccc2nc(COc2ccccc2)n1/N=C/c1ccco1 ZINC000000545983 452620693 /nfs/dbraw/zinc/62/06/93/452620693.db2.gz LJRVFXVUJFBHJY-FYJGNVAPSA-N 0 0 345.358 3.451 50 30 EGEARN C=CCN1c2ccccc2[C@](O)(CC(=O)c2cc(C)ccc2C)C1=O ZINC000000565154 452624668 /nfs/dbraw/zinc/62/46/68/452624668.db2.gz LHAUVSPUCMLWAJ-OAQYLSRUSA-N 0 0 335.403 3.297 50 30 EGEARN COc1ccc(CN2C(=O)CS/C2=N/N=C/c2ccccc2)cc1 ZINC000002351470 452696081 /nfs/dbraw/zinc/69/60/81/452696081.db2.gz PTVSIGLSUZUGMF-DSTXHIGZSA-N 0 0 339.420 3.161 50 30 EGEARN C=CCOC(=O)C1=C(C)N=C2S[C@@H](C)C(=O)N2[C@H]1c1ccccc1 ZINC000002463596 452699926 /nfs/dbraw/zinc/69/99/26/452699926.db2.gz RCILNRDSPVBPFY-WFASDCNBSA-N 0 0 342.420 3.064 50 30 EGEARN C=CCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@@H]1c1ccccc1 ZINC000002480758 452700174 /nfs/dbraw/zinc/70/01/74/452700174.db2.gz PKJBKUQPSJNQML-MRXNPFEDSA-N 0 0 342.420 3.066 50 30 EGEARN O=C(Nc1ccc2c(c1)OCO2)C(F)(F)C(F)(F)C(F)(F)F ZINC000002900258 452732871 /nfs/dbraw/zinc/73/28/71/452732871.db2.gz GEPSLPPTKXDXQZ-UHFFFAOYSA-N 0 0 333.159 3.187 50 30 EGEARN CC(C)(C)C(=O)C=C1N[C@@H]2CCCC[C@@H]2NC1=CC(=O)C(C)(C)C ZINC000004576405 452808328 /nfs/dbraw/zinc/80/83/28/452808328.db2.gz PEMLPACMQJOXII-XVPDASNMSA-N 0 0 332.488 3.489 50 30 EGEARN Cc1cc(C)c(C(=N)NOC(=O)C=Cc2ccccc2)c(Cl)n1 ZINC000004771519 452816167 /nfs/dbraw/zinc/81/61/67/452816167.db2.gz ANZXAONKHOYPLJ-CMDGGOBGSA-N 0 0 329.787 3.229 50 30 EGEARN O=[N+]([O-])c1ccc(N=NCc2ccc3ccccc3n2)c([N+](=O)[O-])c1 ZINC000004997166 452829011 /nfs/dbraw/zinc/82/90/11/452829011.db2.gz DKQUYADERJQLPB-LICLKQGHSA-N 0 0 337.295 3.497 50 30 EGEARN CCCC1N=NC(=S)N1N=Cc1ccc(OC(C)C)c(OC)c1 ZINC000005686293 452894427 /nfs/dbraw/zinc/89/44/27/452894427.db2.gz BETBCCCNKMVZLF-LICLKQGHSA-N 0 0 334.445 3.197 50 30 EGEARN COC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1ccc(F)cc1)C2=O ZINC000009575778 453257871 /nfs/dbraw/zinc/25/78/71/453257871.db2.gz YUSBAAYEVJTEMA-PKSBALPTSA-N 0 0 342.322 3.382 50 30 EGEARN CC/N=C1\S[C@H](C(=O)Nc2ccc(Cl)cc2)CC(=O)N1CC ZINC000012628408 453386572 /nfs/dbraw/zinc/38/65/72/453386572.db2.gz OCRFLCKUTVWREO-JTFSYWPOSA-N 0 0 339.848 3.008 50 30 EGEARN Cc1sc(NC(=O)c2cc(-c3cnn(C)c3C)no2)c(C#N)c1C ZINC000013641869 453475865 /nfs/dbraw/zinc/47/58/65/453475865.db2.gz TZFHDWUBOCMOJC-UHFFFAOYSA-N 0 0 341.396 3.186 50 30 EGEARN COc1cccc(/C=C2\S/C(=N\c3ccccc3)NC2=O)c1O ZINC000015009406 453550844 /nfs/dbraw/zinc/55/08/44/453550844.db2.gz ADFMLBJWRQPWAY-UVTDQMKNSA-N 0 0 326.377 3.292 50 30 EGEARN CC(C)N1CC(=O)C(c2nc(-c3ccc(Cl)cc3)cs2)=C1N ZINC000017822016 453638406 /nfs/dbraw/zinc/63/84/06/453638406.db2.gz CKCGFSBUZKUABH-UHFFFAOYSA-N 0 0 333.844 3.384 50 30 EGEARN Cc1ccc(/C=N/N=C2\NC(=O)[C@@H](Cc3ccc(C)cc3)S2)cc1 ZINC000018209463 453648187 /nfs/dbraw/zinc/64/81/87/453648187.db2.gz JSUBEKSQHNZZRZ-XNHPLOEXSA-N 0 0 337.448 3.468 50 30 EGEARN CC(C)Sc1nc(N2CCOCC2)c2c(c1C#N)CC(C)(C)OC2 ZINC000018276105 453650708 /nfs/dbraw/zinc/65/07/08/453650708.db2.gz UAAFHBDDENWPDS-UHFFFAOYSA-N 0 0 347.484 3.142 50 30 EGEARN CC(C)Nc1ccc(-n2ccnc2-c2ccc(C#CCO)s2)cn1 ZINC000077300421 454087400 /nfs/dbraw/zinc/08/74/00/454087400.db2.gz NFFPELJLUGXDQK-UHFFFAOYSA-N 0 0 338.436 3.160 50 30 EGEARN COc1ccccc1C[C@@H](C#N)C(=O)Nc1ccc(OC)c(OC)c1 ZINC000057523415 454134585 /nfs/dbraw/zinc/13/45/85/454134585.db2.gz NDKDGZUIJJLTCD-AWEZNQCLSA-N 0 0 340.379 3.033 50 30 EGEARN C[C@]12CC=C3[C@@H](CC[C@@]45CC6(CC[C@@]34O5)OCCO6)[C@H]1CCC2=O ZINC000095092862 454196214 /nfs/dbraw/zinc/19/62/14/454196214.db2.gz BAMMJXIMVWLRCU-JTZQZMJFSA-N 0 0 330.424 3.147 50 30 EGEARN C=C[C@@](C)(C=O)C[C@@H]1O[C@H](C#N)[C@@]23C(=O)CC[C@@H]2CC[C@@H](C)[C@@]13C ZINC000071786305 454218462 /nfs/dbraw/zinc/21/84/62/454218462.db2.gz BWHCUUHAFYWNOR-HKEUYKKTSA-N 0 0 329.440 3.460 50 30 EGEARN CCOC(=O)N1CCc2nc(N)c(C#N)c(-c3ccccc3C)c2C1 ZINC000072153245 454272443 /nfs/dbraw/zinc/27/24/43/454272443.db2.gz DEMPDDYIAXABAZ-UHFFFAOYSA-N 0 0 336.395 3.026 50 30 EGEARN CC(C)(C)OC(=O)Nc1ccnc([C@@H](C#N)C(=O)OC(C)(C)C)c1 ZINC000091352974 454430392 /nfs/dbraw/zinc/43/03/92/454430392.db2.gz GRLAGFIOBSOJCO-GFCCVEGCSA-N 0 0 333.388 3.377 50 30 EGEARN Brc1cccc(/C=N/N2CCN(c3ccccn3)CC2)c1 ZINC000100573881 454466097 /nfs/dbraw/zinc/46/60/97/454466097.db2.gz ZLRPTDMMSNZRQZ-CPNJWEJPSA-N 0 0 345.244 3.000 50 30 EGEARN CC(C)CC1CC(=O)C(=CNc2ccc(-n3cncn3)cc2)C(=O)C1 ZINC000100685114 454466896 /nfs/dbraw/zinc/46/68/96/454466896.db2.gz FJMYZACACXWVAN-UHFFFAOYSA-N 0 0 338.411 3.157 50 30 EGEARN CC(=O)C1C(=O)[C@H]2c3c[nH]c4cccc(c43)C[C@H]2C(C)(C)N(C)C1=O ZINC000101145335 454469728 /nfs/dbraw/zinc/46/97/28/454469728.db2.gz WJCPGKDPOYBOOJ-QOCWYBFNSA-N 0 0 338.407 3.076 50 30 EGEARN C#CCN(Cc1ccc(C)cc1)C(=O)CC(=O)Nc1ccc(C)cc1 ZINC000065418590 454564520 /nfs/dbraw/zinc/56/45/20/454564520.db2.gz OEUVMCMLCPGAFX-UHFFFAOYSA-N 0 0 334.419 3.294 50 30 EGEARN N#Cc1cccc(C(=O)N2CC[C@H](Oc3cccc4cccnc43)C2)c1 ZINC000245026706 455279231 /nfs/dbraw/zinc/27/92/31/455279231.db2.gz NHSMQVSSKCIYHA-SFHVURJKSA-N 0 0 343.386 3.400 50 30 EGEARN CC(C)[C@H](NC(=O)c1ccc(-c2ccccc2C#N)cc1)C(=O)N(C)C ZINC000426388613 457819232 /nfs/dbraw/zinc/81/92/32/457819232.db2.gz XWSGXBLYILJLJI-IBGZPJMESA-N 0 0 349.434 3.068 50 30 EGEARN CN1CCN(C(=O)c2cccc(-c3ccc(C#N)c(Cl)c3)c2)CC1 ZINC000426512171 457847209 /nfs/dbraw/zinc/84/72/09/457847209.db2.gz NZAPWKVQNGTBBY-UHFFFAOYSA-N 0 0 339.826 3.266 50 30 EGEARN C=CCNC(=O)COc1ccccc1-c1noc(-c2cccs2)n1 ZINC000033325175 518896534 /nfs/dbraw/zinc/89/65/34/518896534.db2.gz NEJHFPNPCZKNFP-UHFFFAOYSA-N 0 0 341.392 3.146 50 30 EGEARN C=CCSc1nnc(NC(=O)COc2cccc(C)c2C)s1 ZINC000007594213 519087530 /nfs/dbraw/zinc/08/75/30/519087530.db2.gz PZQHFUXBFXJBNG-UHFFFAOYSA-N 0 0 335.454 3.451 50 30 EGEARN C=CCc1ccc(OCCCSc2nc(N)cc(=O)[nH]2)c(OC)c1 ZINC000016527153 519137664 /nfs/dbraw/zinc/13/76/64/519137664.db2.gz SBFIHOZLNZDKHM-UHFFFAOYSA-N 0 0 347.440 3.063 50 30 EGEARN C=CCn1c(SCc2ccccc2F)nnc1-c1cnccn1 ZINC000000524109 519245909 /nfs/dbraw/zinc/24/59/09/519245909.db2.gz AGQKRGGQBIGXDH-UHFFFAOYSA-N 0 0 327.388 3.353 50 30 EGEARN COc1cc(C(=O)C=CNc2ccc(O)cc2)cc(OC)c1OC ZINC000000535094 522049600 /nfs/dbraw/zinc/04/96/00/522049600.db2.gz KIASBBZDTOPXMM-CMDGGOBGSA-N 0 0 329.352 3.227 50 30 EGEARN Cc1ccc(C(=O)C[C@]2(O)c3ccccc3N(CCCC#N)C2=O)cc1 ZINC000004166038 526051861 /nfs/dbraw/zinc/05/18/61/526051861.db2.gz CCDRWGDFJKWCPL-NRFANRHFSA-N 0 0 348.402 3.106 50 30 EGEARN N=C(NOC(=O)c1ccccc1CCc1ccccc1)c1ccncc1 ZINC000004832195 526810909 /nfs/dbraw/zinc/81/09/09/526810909.db2.gz GXVHAJSSABFUHH-UHFFFAOYSA-N 0 0 345.402 3.344 50 30 EGEARN CCn1cc(O[C@@H]2CCC[C@@H]2[NH2+]Cc2ccc(C#N)cc2F)cn1 ZINC000685940445 550456402 /nfs/dbraw/zinc/45/64/02/550456402.db2.gz ACWQKGYZBVLQCB-ZWKOTPCHSA-N 0 0 328.391 3.003 50 30 EGEARN CCCC[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)c1cccnc1 ZINC000822830933 1320127418 /nfs/dbraw/zinc/12/74/18/1320127418.db2.gz SMLLFCVLQUZCLJ-QGZVFWFLSA-N 0 0 329.425 3.163 50 30 EGEARN CCOC(=O)c1ccccc1NC(=O)Cn1cc(C#N)c2ccccc21 ZINC000051319064 214088985 /nfs/dbraw/zinc/08/89/85/214088985.db2.gz PHZPSLBKKWRWAA-UHFFFAOYSA-N 0 0 347.374 3.328 50 30 EGEARN C=C(C)COc1cccc(C(=O)NCc2ccc(O)c(OC)c2)c1 ZINC000055327290 214308006 /nfs/dbraw/zinc/30/80/06/214308006.db2.gz XNSCQMKENLEBFL-UHFFFAOYSA-N 0 0 327.380 3.286 50 30 EGEARN CCCCCCCCCCCCCC(=O)N[C@@H](CO)C(=O)OC ZINC000097950602 219063949 /nfs/dbraw/zinc/06/39/49/219063949.db2.gz BZVCUBJEPHSGJB-INIZCTEOSA-N 0 0 329.481 3.338 50 30 EGEARN C#C[C@@](C)(CC)NC(=O)/C(=C/c1ccccc1)NC(=O)c1ccccc1 ZINC000004622198 210234078 /nfs/dbraw/zinc/23/40/78/210234078.db2.gz ILUGJIRBUKBUSK-MHZRJXOASA-N 0 0 346.430 3.376 50 30 EGEARN COc1ccc(NC=C(C(C)=O)C(=O)Nc2ccc(OC)cc2)cc1 ZINC000098212103 219087415 /nfs/dbraw/zinc/08/74/15/219087415.db2.gz IMLCBYATOSRYJI-LDADJPATSA-N 0 0 340.379 3.227 50 30 EGEARN COC(=O)c1ccc(NC=CC(=O)c2ccc3c(c2)OCO3)cc1 ZINC000100281651 219096017 /nfs/dbraw/zinc/09/60/17/219096017.db2.gz SXMFUIDYFDOFBW-HJWRWDBZSA-N 0 0 325.320 3.010 50 30 EGEARN CN1C(=S)N(c2ccccc2)C(=O)/C1=C/c1ccccc1OCC#N ZINC000004472235 210196524 /nfs/dbraw/zinc/19/65/24/210196524.db2.gz DJIHRFZOJGRVRB-SSZFMOIBSA-N 0 0 349.415 3.193 50 30 EGEARN CCOc1ccc([C@@H]2NC(=O)C(O)=C2C(=O)c2cccs2)cc1 ZINC000004453202 210193988 /nfs/dbraw/zinc/19/39/88/210193988.db2.gz HUMVRQWOSXJHNU-AWEZNQCLSA-N 0 0 329.377 3.013 50 30 EGEARN COc1cc(/C=N/NC(=S)Nc2cccc(Cl)c2)ccc1O ZINC000004360383 210180472 /nfs/dbraw/zinc/18/04/72/210180472.db2.gz WDUDFVVUUXRSPR-RQZCQDPDSA-N 0 0 335.816 3.375 50 30 EGEARN CC(Nc1ccc(Cc2ccncc2)cc1)=C1C(=O)C=C(C)OC1=O ZINC000101638262 219149529 /nfs/dbraw/zinc/14/95/29/219149529.db2.gz JNERCURKBRGHLO-XMHGGMMESA-N 0 0 334.375 3.388 50 30 EGEARN CCCCOc1ccc([C@@H]2NC(=O)NC(C)=C2C(C)=O)cc1OCC ZINC000004180570 210140264 /nfs/dbraw/zinc/14/02/64/210140264.db2.gz DLUJNLVKFDCVPR-SFHVURJKSA-N 0 0 346.427 3.481 50 30 EGEARN C=CCn1nc(C(=O)[O-])c2c1CC[C@H]([N@H+](C)Cc1sccc1C)C2 ZINC000067910121 215248651 /nfs/dbraw/zinc/24/86/51/215248651.db2.gz UXMBBQJBMXUAAF-ZDUSSCGKSA-N 0 0 345.468 3.127 50 30 EGEARN COc1cc(-c2cc(C3CC3)c(C#N)c(N)n2)cc(OC)c1OC ZINC000067954480 215259643 /nfs/dbraw/zinc/25/96/43/215259643.db2.gz DFMKEODREZUXNH-UHFFFAOYSA-N 0 0 325.368 3.106 50 30 EGEARN C=CCN(CC=C)C(=O)C1CCC(C(=O)N(CC=C)CC=C)CC1 ZINC000038142705 213202542 /nfs/dbraw/zinc/20/25/42/213202542.db2.gz LUANGBZEIUHEOZ-UHFFFAOYSA-N 0 0 330.472 3.194 50 30 EGEARN N#Cc1cnc2c(-c3ccccc3)c(COc3ccccc3)nn2c1N ZINC000001059438 283238337 /nfs/dbraw/zinc/23/83/37/283238337.db2.gz SKJJTZRKFFIDKE-UHFFFAOYSA-N 0 0 341.374 3.429 50 30 EGEARN C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C ZINC000003875484 291430421 /nfs/dbraw/zinc/43/04/21/291430421.db2.gz YLRFCQOZQXIBAB-RBZZARIASA-N 0 0 336.447 3.332 50 30 fda EGEARN Oc1ccc(/C=N/N2CCN(Cc3ccccc3Cl)CC2)cc1 ZINC000019771351 212062793 /nfs/dbraw/zinc/06/27/93/212062793.db2.gz WPIFMFZQJCPHGG-DEDYPNTBSA-N 0 0 329.831 3.197 50 30 EGEARN N#Cc1cccc(C(=O)NCC2(c3ccc(F)cc3)CCOCC2)c1 ZINC000049520835 214014579 /nfs/dbraw/zinc/01/45/79/214014579.db2.gz VSCZYRXYKVSYQZ-UHFFFAOYSA-N 0 0 338.382 3.176 50 30 EGEARN COc1ccccc1/C=C1\Oc2cc(OC(=O)N(C)C)ccc2C1=O ZINC000012662785 211431599 /nfs/dbraw/zinc/43/15/99/211431599.db2.gz GFDIBSOYBNPWAY-YVLHZVERSA-N 0 0 339.347 3.372 50 30 biogenic EGEARN COc1ccc(/C=N/N=C2\SCC(=O)N2c2ccccc2)cc1 ZINC000012420277 211375228 /nfs/dbraw/zinc/37/52/28/211375228.db2.gz CABSQKJOBJMCHQ-ONMBGNKZSA-N 0 0 325.393 3.165 50 30 EGEARN C=CCC(O)(CC=C)[C@H](C)Nc1nncc(-c2ccc(F)cc2)n1 ZINC000012373157 211358430 /nfs/dbraw/zinc/35/84/30/211358430.db2.gz NNJPIHRIXXNDPB-ZDUSSCGKSA-N 0 0 328.391 3.361 50 30 EGEARN C=CCS(=O)(=O)N1CCC[C@@H](CCc2c(F)cccc2F)C1 ZINC000011842994 211256500 /nfs/dbraw/zinc/25/65/00/211256500.db2.gz IXZSYTFXWAHVFO-ZDUSSCGKSA-N 0 0 329.412 3.125 50 30 EGEARN Cc1ccc2[nH]c(C3=C(N)N(c4cccc(C)c4C)CC3=O)nc2c1 ZINC000008844100 211010962 /nfs/dbraw/zinc/01/09/62/211010962.db2.gz UOHUJJJPSCMQRP-UHFFFAOYSA-N 0 0 332.407 3.205 50 30 EGEARN CCCCCCN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000008465623 210954511 /nfs/dbraw/zinc/95/45/11/210954511.db2.gz UXJIWGFMOOJHPL-INIZCTEOSA-N 0 0 346.383 3.460 50 30 EGEARN COC(=O)c1ccc(/C=C2\Oc3cc(OCC#N)cc(C)c3C2=O)cc1 ZINC000006764475 210705917 /nfs/dbraw/zinc/70/59/17/210705917.db2.gz ODFWCUYTAVIFSY-YVLHZVERSA-N 0 0 349.342 3.300 50 30 EGEARN O=C1c2ccccc2N[C@H](c2c(F)c(F)c(F)c(F)c2F)N1O ZINC000004244702 285024859 /nfs/dbraw/zinc/02/48/59/285024859.db2.gz PEPFANHCDNJQAE-ZDUSSCGKSA-N 0 0 330.212 3.338 50 30 EGEARN CCSC1=N/C(=C\c2c(OC)cc(OC)cc2OC)C(=O)S1 ZINC000005150873 210401159 /nfs/dbraw/zinc/40/11/59/210401159.db2.gz UDVFMEHITGWNFT-FLIBITNWSA-N 0 0 339.438 3.436 50 30 EGEARN CSc1nc2c(c(=O)[nH]1)[C@@H](c1cccs1)C1=C(CCCC1=O)N2 ZINC000005066774 210381221 /nfs/dbraw/zinc/38/12/21/210381221.db2.gz MPHXRAKCRIOQQA-LBPRGKRZSA-N 0 0 345.449 3.118 50 30 EGEARN Cc1nn(-c2ccccc2)c(C)c1[C@H]1Nc2ccccc2C(=O)N1O ZINC000000039423 208555362 /nfs/dbraw/zinc/55/53/62/208555362.db2.gz NGLDORCRRLOQLY-SFHVURJKSA-N 0 0 334.379 3.445 50 30 EGEARN COC(=O)C1=C(Nc2ccccc2)SC(=Cc2ccccn2)C1=O ZINC000004872583 210310365 /nfs/dbraw/zinc/31/03/65/210310365.db2.gz XKNAMBCKHQCSQL-KAMYIIQDSA-N 0 0 338.388 3.235 50 30 EGEARN CCOc1ccc([C@H]2CC(=O)NC3=C2C(=O)CCC3)cc1OCC ZINC000004915088 210322314 /nfs/dbraw/zinc/32/23/14/210322314.db2.gz WJKWQLXCTIOPAT-CYBMUJFWSA-N 0 0 329.396 3.095 50 30 EGEARN CCCOc1ccc([C@H]2CC(=O)NC3=C2C(=O)CCC3)cc1OC ZINC000004912982 210320473 /nfs/dbraw/zinc/32/04/73/210320473.db2.gz YWDGVCNFZJNHQE-CYBMUJFWSA-N 0 0 329.396 3.095 50 30 EGEARN Oc1ccccc1C=NN1C(=S)N=NC1c1ccc(Cl)cc1 ZINC000004898088 210316459 /nfs/dbraw/zinc/31/64/59/210316459.db2.gz HCYHYCYKYZJWRG-RQZCQDPDSA-N 0 0 330.800 3.475 50 30 EGEARN Cc1cc(N(C)NC(=S)Nc2ccccc2)nc(Cl)c1C#N ZINC000012446175 291928854 /nfs/dbraw/zinc/92/88/54/291928854.db2.gz UFBKEBDWLDTONJ-UHFFFAOYSA-N 0 0 331.832 3.253 50 30 EGEARN CCOC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1ccco1)C2=O ZINC000005177373 258003073 /nfs/dbraw/zinc/00/30/73/258003073.db2.gz BNWGBZCFYUGYCP-WIWNTQSISA-N 0 0 328.320 3.226 50 30 EGEARN CC[C@@H]1C=CCN1C(=O)c1cccc(-c2ccnc(OC)c2C#N)c1 ZINC000299774831 258085209 /nfs/dbraw/zinc/08/52/09/258085209.db2.gz JHSJQAFLWWBCIY-MRXNPFEDSA-N 0 0 333.391 3.419 50 30 EGEARN CCCCCCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1C(C)C ZINC000002361581 258049678 /nfs/dbraw/zinc/04/96/78/258049678.db2.gz VOXMVGANEOCRCI-UHFFFAOYSA-N 0 0 338.477 3.067 50 30 EGEARN N#CC1(C#N)[C@H]2CCCC[C@]23OC(=N)[C@@]1(C#N)[C@H](c1cccs1)O3 ZINC000004558397 258051116 /nfs/dbraw/zinc/05/11/16/258051116.db2.gz BVAZBPHICLDVKX-GFOFROLCSA-N 0 0 338.392 3.257 50 30 EGEARN COc1ccc(CCNC(=S)NCc2cccs2)cc1OC ZINC000013496765 258056179 /nfs/dbraw/zinc/05/61/79/258056179.db2.gz MEBXCEIDCPDHEM-UHFFFAOYSA-N 0 0 336.482 3.383 50 30 EGEARN C[C@@]12C[C@H](O)[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC/C2=C\CO ZINC000254096470 258073417 /nfs/dbraw/zinc/07/34/17/258073417.db2.gz SBMHTRUNPKWTLU-DHRKTQAVSA-N 0 0 330.468 3.408 50 30 EGEARN CC(C)c1ccc(C#N)c(N2CCN(C(=O)OC(C)(C)C)CC2)n1 ZINC000043828212 132414008 /nfs/dbraw/zinc/41/40/08/132414008.db2.gz YDXALJQNKBADBC-UHFFFAOYSA-N 0 0 330.432 3.134 50 30 EGEARN O=C1Nc2ccccc2/C1=N/c1ccccc1I ZINC000005687932 280303463 /nfs/dbraw/zinc/30/34/63/280303463.db2.gz CWRAGWOVSSKQMP-UHFFFAOYSA-N 0 0 348.143 3.364 50 30 EGEARN COc1cccc([C@@H]2CC(=O)N(N(C)C)C3=C2C(=O)CC(C)(C)C3)c1 ZINC000001427541 295315277 /nfs/dbraw/zinc/31/52/77/295315277.db2.gz SCSUNDHWZPQLIK-HNNXBMFYSA-N 0 0 342.439 3.131 50 30 EGEARN O=C1CCCC2=Nc3nnnn3[C@@H](c3cccc(Cl)c3Cl)C12 ZINC000012348357 304624068 /nfs/dbraw/zinc/62/40/68/304624068.db2.gz UBLDGODFFNTQKA-ZDUSSCGKSA-N 0 0 336.182 3.002 50 30 EGEARN N#Cc1cccc(C(=O)N2CC[C@H](c3noc(-c4ccccc4)n3)C2)c1 ZINC000238838381 455259791 /nfs/dbraw/zinc/25/97/91/455259791.db2.gz HGPJPAHSNKDMGY-KRWDZBQOSA-N 0 0 344.374 3.238 50 30 EGEARN COc1ccc(C(=O)c2c(N)c(C#N)c(C)n2-c2ccccc2)cc1 ZINC000000198139 452533607 /nfs/dbraw/zinc/53/36/07/452533607.db2.gz ZGAYDFKCXHWEFQ-UHFFFAOYSA-N 0 0 331.375 3.479 50 30 EGEARN C[C@@H]1CCc2c(C#N)c(NC(=O)/C=C/c3cnn(C)c3)sc2C1 ZINC000000375836 452574310 /nfs/dbraw/zinc/57/43/10/452574310.db2.gz BPFOCGKULYXCBI-DUMNWFOQSA-N 0 0 326.425 3.130 50 30 EGEARN CCOc1ccc(-c2nc(C#N)c(N3C[C@@H](C)O[C@H](C)C3)o2)cc1 ZINC000000467639 452600862 /nfs/dbraw/zinc/60/08/62/452600862.db2.gz MRKYPOSHYHJRRX-CHWSQXEVSA-N 0 0 327.384 3.226 50 30 EGEARN COc1cccc([C@H]2NC(=S)NC(c3ccccc3)=C2C(C)=O)c1 ZINC000000484403 452605475 /nfs/dbraw/zinc/60/54/75/452605475.db2.gz RZJSYJZQEQNCLV-GOSISDBHSA-N 0 0 338.432 3.214 50 30 EGEARN CCOC(=O)CSc1nc(-c2ccc3c(c2)OCO3)ccc1C#N ZINC000000523029 452612529 /nfs/dbraw/zinc/61/25/29/452612529.db2.gz VXZJGHPVKBQRGV-UHFFFAOYSA-N 0 0 342.376 3.004 50 30 EGEARN COc1ccc([S@](=O)c2ccc(NC(=O)C3CC3)cc2C#N)cc1 ZINC000001404336 452662007 /nfs/dbraw/zinc/66/20/07/452662007.db2.gz MWPXOEJXBHKXOV-XMMPIXPASA-N 0 0 340.404 3.082 50 30 EGEARN COc1ccc(-c2nc(C)c(C(=O)/C=C/N(C)C)s2)cc1OC ZINC000001403843 452662135 /nfs/dbraw/zinc/66/21/35/452662135.db2.gz DBOLESYBRJSSFK-CMDGGOBGSA-N 0 0 332.425 3.394 50 30 EGEARN C=CCN1c2ccccc2/C(=C2/SC(=S)N(CCC)C2=O)C1=O ZINC000001822619 452678948 /nfs/dbraw/zinc/67/89/48/452678948.db2.gz MKTPFOFHCTYKGW-YPKPFQOOSA-N 0 0 344.461 3.201 50 30 EGEARN CCOC(=O)C(C=Nc1ccccc1SCCC#N)C(=O)OCC ZINC000002160878 452688131 /nfs/dbraw/zinc/68/81/31/452688131.db2.gz JTLNWOXHFWIPAK-UHFFFAOYSA-N 0 0 348.424 3.114 50 30 EGEARN C=CCOc1c(I)cc(C=O)cc1OCC ZINC000002768015 452722260 /nfs/dbraw/zinc/72/22/60/452722260.db2.gz XUDOKYIBWDDHMK-UHFFFAOYSA-N 0 0 332.137 3.067 50 30 EGEARN C#CCOc1ccc(/C=C2\SC(=O)N(CC(C)C)C2=O)cc1OC ZINC000002831817 452728222 /nfs/dbraw/zinc/72/82/22/452728222.db2.gz ZCRCVIZVDUPMNI-YBEGLDIGSA-N 0 0 345.420 3.400 50 30 EGEARN CCOC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCCCCC1 ZINC000003114385 452745151 /nfs/dbraw/zinc/74/51/51/452745151.db2.gz FKSYERDFLNEXFX-AWEZNQCLSA-N 0 0 338.411 3.180 50 30 EGEARN Brc1ccc(/C=N/n2nnnc2Nc2ccccc2)cc1 ZINC000004548789 452809275 /nfs/dbraw/zinc/80/92/75/452809275.db2.gz TUBPSRAIRUSLII-MHWRWJLKSA-N 0 0 343.188 3.061 50 30 EGEARN Cc1cc([N-][NH+]=Cc2ccc(N(C)C)cc2)nc(N2CCCCC2)n1 ZINC000004811344 452819492 /nfs/dbraw/zinc/81/94/92/452819492.db2.gz HUSPZVBBYCFZMF-XSFVSMFZSA-N 0 0 338.459 3.287 50 30 EGEARN CC1(C)CC(=O)C2=C(C1)NC(=O)C[C@@H]2c1cc([N+](=O)[O-])ccc1Cl ZINC000004913032 452826002 /nfs/dbraw/zinc/82/60/02/452826002.db2.gz XNSUECSSSDXDAY-LLVKDONJSA-N 0 0 348.786 3.495 50 30 EGEARN Cc1ccccc1CN1C(=O)[C@H](C)S/C1=N/N=C/c1ccco1 ZINC000004955358 452827870 /nfs/dbraw/zinc/82/78/70/452827870.db2.gz QTIPLPVJAAOVDO-NEQJIUGGSA-N 0 0 327.409 3.442 50 30 EGEARN COC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1cccc(F)c1)C2=O ZINC000005156867 452840053 /nfs/dbraw/zinc/84/00/53/452840053.db2.gz LEPMFCVSDKRFCO-JWHLFPLYSA-N 0 0 342.322 3.382 50 30 EGEARN CCCC[C@H](CC)C[NH2+][C@@H](CC(=O)Nc1ccccc1C#N)C(=O)[O-] ZINC000005258646 452852800 /nfs/dbraw/zinc/85/28/00/452852800.db2.gz RSEBVPJDKDUCLR-YOEHRIQHSA-N 0 0 345.443 3.146 50 30 EGEARN O=C(/C=C/c1ccc(I)o1)c1cccnc1 ZINC000005263438 452853198 /nfs/dbraw/zinc/85/31/98/452853198.db2.gz KTGMOOGKHWHAQC-HWKANZROSA-N 0 0 325.105 3.175 50 30 EGEARN COc1cc2c(cc1OC)C(=CC(=O)c1ccccc1F)NCC2 ZINC000005321788 452859082 /nfs/dbraw/zinc/85/90/82/452859082.db2.gz SIOXAIFBIWDBNA-WJDWOHSUSA-N 0 0 327.355 3.212 50 30 EGEARN CN(C)/N=C(\C[C@@H]1OC(=O)c2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000005668087 452893196 /nfs/dbraw/zinc/89/31/96/452893196.db2.gz YETXSPHHBAWZMS-BYFYWULKSA-N 0 0 339.351 3.162 50 30 EGEARN O=c1oc2ccccc2cc1-c1nn(-c2ccccc2)cc1/C=N/O ZINC000005738719 452899170 /nfs/dbraw/zinc/89/91/70/452899170.db2.gz OFABHCUVDOROEK-RGVLZGJSSA-N 0 0 331.331 3.454 50 30 EGEARN CCSc1nc2n(n1)[C@H](c1ccc(O)cc1)C1C(=O)CCCC1=N2 ZINC000006677827 452966237 /nfs/dbraw/zinc/96/62/37/452966237.db2.gz UQTSNYYCGBHOBP-OAHLLOKOSA-N 0 0 342.424 3.118 50 30 EGEARN CC(C)N1/C(=C\c2cccc(O)c2)C(=O)c2ccccc2S1(=O)=O ZINC000009486052 453255222 /nfs/dbraw/zinc/25/52/22/453255222.db2.gz HJAVVRMSRLANAL-WJDWOHSUSA-N 0 0 343.404 3.029 50 30 EGEARN CC(=O)C1=C(C)Oc2nc(C)[nH]c(=O)c2[C@@H]1c1ccc(Cl)cc1 ZINC000015083778 453555642 /nfs/dbraw/zinc/55/56/42/453555642.db2.gz OLODVAMUQZNOAE-CQSZACIVSA-N 0 0 330.771 3.119 50 30 EGEARN COc1ccc(C(C)=NNc2nc(-c3ccccc3)cc(=O)[nH]2)cc1 ZINC000017186139 453630917 /nfs/dbraw/zinc/63/09/17/453630917.db2.gz VPCMZQHQQJKAHI-XKZIYDEJSA-N 0 0 334.379 3.282 50 30 EGEARN CC1=C(C(=O)OC(C)C)[C@H](c2cccc(O)c2)C2=C(CCCC2=O)N1 ZINC000018279592 453650602 /nfs/dbraw/zinc/65/06/02/453650602.db2.gz XUWVOUIJQDCKQK-SFHVURJKSA-N 0 0 341.407 3.312 50 30 EGEARN CCOC(=O)c1c(/N=C/c2ccccc2O)sc2c1CCN(C)C2 ZINC000033900013 453918215 /nfs/dbraw/zinc/91/82/15/453918215.db2.gz MSLRHWYIYPCUCH-VXLYETTFSA-N 0 0 344.436 3.369 50 30 EGEARN CC1(C)CC(=O)C2C(=Nc3c(C#N)cnn3[C@H]2c2ccc(O)cc2)C1 ZINC000040284444 453948817 /nfs/dbraw/zinc/94/88/17/453948817.db2.gz WOZOWKOMNZFWMU-KRWDZBQOSA-N 0 0 334.379 3.118 50 30 EGEARN COc1ccc(-c2cc(C(=O)Nc3ccccc3C#N)n[nH]2)c(OC)c1 ZINC000057412916 454126362 /nfs/dbraw/zinc/12/63/62/454126362.db2.gz RYBAOUMTNKTFEB-UHFFFAOYSA-N 0 0 348.362 3.218 50 30 EGEARN O=C1C[C@@H](c2ccccc2)N1/N=C/c1cc(Br)ccc1O ZINC000071281377 454203755 /nfs/dbraw/zinc/20/37/55/454203755.db2.gz BEAQWFCNVPZFBD-XKYMITNMSA-N 0 0 345.196 3.462 50 30 EGEARN COc1cc(-c2cc(C3CCC3)nc(N)c2C#N)cc(OC)c1OC ZINC000071763596 454215483 /nfs/dbraw/zinc/21/54/83/454215483.db2.gz UYUILGIVHKVHOG-UHFFFAOYSA-N 0 0 339.395 3.496 50 30 EGEARN Cc1noc2c1[C@H](c1ccc([N+](=O)[O-])cc1)C1=C(CCCC1=O)N2 ZINC000072332312 454294898 /nfs/dbraw/zinc/29/48/98/454294898.db2.gz SYHWNYHBUODQOM-HNNXBMFYSA-N 0 0 325.324 3.456 50 30 EGEARN CCOc1ccc(CC(=O)C2=C(N)CC(C)(C)CC2=O)cc1OCC ZINC000100147518 454464671 /nfs/dbraw/zinc/46/46/71/454464671.db2.gz PAFQWQACOGFKHS-UHFFFAOYSA-N 0 0 345.439 3.198 50 30 EGEARN N#Cc1ccc(C(=O)N2CCC[C@@]3(C=Cc4ccccc4O3)CC2)cn1 ZINC000065395283 454559257 /nfs/dbraw/zinc/55/92/57/454559257.db2.gz DVIUYNDCILBLES-OAQYLSRUSA-N 0 0 345.402 3.424 50 30 EGEARN COC(=O)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F ZINC000103546435 454562475 /nfs/dbraw/zinc/56/24/75/454562475.db2.gz WATSXFGMAUAPDM-UHFFFAOYSA-N 0 0 340.088 3.058 50 30 EGEARN N#CC1(c2ccccc2)CCN(C(=O)NCC[C@H]2CCCOC2)CC1 ZINC000534639964 459340944 /nfs/dbraw/zinc/34/09/44/459340944.db2.gz BXPJLNOSZGHFAW-QGZVFWFLSA-N 0 0 341.455 3.070 50 30 EGEARN C=CCNC(=O)[C@@H]1CCCC[C@@H]1C(=O)N(C)CCCc1ccccc1 ZINC000055393461 518918661 /nfs/dbraw/zinc/91/86/61/518918661.db2.gz FNSVAUAIQWUZQL-MOPGFXCFSA-N 0 0 342.483 3.186 50 30 EGEARN C=CCc1c(C)nc(SCC(=O)Nc2ccc(CC)cc2)[nH]c1=O ZINC000018254409 519123148 /nfs/dbraw/zinc/12/31/48/519123148.db2.gz BBZUFUNPXPXNHV-UHFFFAOYSA-N 0 0 343.452 3.100 50 30 EGEARN CCOC(=O)COc1ccc2c(c1C)O/C(=C\c1ccco1)C2=O ZINC000005399031 520805469 /nfs/dbraw/zinc/80/54/69/520805469.db2.gz YQJUHPRMRQKTMT-DHDCSXOGSA-N 0 0 328.320 3.146 50 30 EGEARN COc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OCCCC#N ZINC000006440462 521954306 /nfs/dbraw/zinc/95/43/06/521954306.db2.gz ZNHCGCUGCHOGGO-GXDHUFHOSA-N 0 0 348.449 3.209 50 30 EGEARN Cc1cccc(C(=N)NOC(=O)COc2cccc3ccccc32)c1 ZINC000005044206 524150188 /nfs/dbraw/zinc/15/01/88/524150188.db2.gz JNQWHUDAUFXNMO-UHFFFAOYSA-N 0 0 334.375 3.391 50 30 EGEARN C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)ONC(=N)c1ccncc1 ZINC000005077598 525929802 /nfs/dbraw/zinc/92/98/02/525929802.db2.gz XQVKGGCMDQTQOI-ZDUSSCGKSA-N 0 0 341.411 3.010 50 30 EGEARN Oc1cccc(C=NN2CCN(Cc3ccccc3Cl)CC2)c1 ZINC000239046890 526356091 /nfs/dbraw/zinc/35/60/91/526356091.db2.gz FYTPQPDGPHCLLX-UHFFFAOYSA-N 0 0 329.831 3.197 50 30 EGEARN CCOC(=O)C1=C(c2ccc(OC)cc2)C(=O)c2ccccc2C1=O ZINC000000290988 1291020164 /nfs/dbraw/zinc/02/01/64/1291020164.db2.gz XXVSDVHJZIFLCW-UHFFFAOYSA-N 0 0 336.343 3.091 50 30 EGEARN N#Cc1ccc(CCC(=O)NCc2nccnc2-c2cccs2)cc1 ZINC000826779452 1320403866 /nfs/dbraw/zinc/40/38/66/1320403866.db2.gz IWPSUCNBUBBADH-UHFFFAOYSA-N 0 0 348.431 3.326 50 30 EGEARN COc1cc(/C=N/c2nc3ccccc3n2C)cc(OC)c1OC ZINC000004741698 210265239 /nfs/dbraw/zinc/26/52/39/210265239.db2.gz FEQTYGXNRMWZJP-YBFXNURJSA-N 0 0 325.368 3.350 50 30 EGEARN C=C(C)COc1cccc(C(=O)NCCc2ccc(OC)c(O)c2)c1 ZINC000055154075 214280431 /nfs/dbraw/zinc/28/04/31/214280431.db2.gz YOUVBCDFMGYFLR-UHFFFAOYSA-N 0 0 341.407 3.328 50 30 EGEARN C=C(C)COc1ccccc1C(=O)N[C@H]1C(=O)Nc2cccc(C)c21 ZINC000055198410 214286864 /nfs/dbraw/zinc/28/68/64/214286864.db2.gz BIHLBPAIPWWBIP-GOSISDBHSA-N 0 0 336.391 3.373 50 30 EGEARN C=C(C)COc1ccccc1C(=O)N(C)CCc1noc(C(C)C)n1 ZINC000055401184 214318508 /nfs/dbraw/zinc/31/85/08/214318508.db2.gz SPAOMMAHWXPJNF-UHFFFAOYSA-N 0 0 343.427 3.463 50 30 EGEARN Cn1c(=O)c2c3c(sc2nc1N/N=C/c1ccc(F)cc1)CCC3 ZINC000004676306 210245104 /nfs/dbraw/zinc/24/51/04/210245104.db2.gz SGRFWKNTVWEFTN-DJKKODMXSA-N 0 0 342.399 3.069 50 30 EGEARN COc1ccc(OC)c(C[C@H](C#N)C(=O)Nc2ccccc2OC)c1 ZINC000057524808 214433901 /nfs/dbraw/zinc/43/39/01/214433901.db2.gz XKHOBXAWZLGADE-CQSZACIVSA-N 0 0 340.379 3.033 50 30 EGEARN CN(C)/N=C/c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000004545744 210219806 /nfs/dbraw/zinc/21/98/06/210219806.db2.gz WUQRXBJRJIGRCV-GZTJUZNOSA-N 0 0 338.816 3.003 50 30 EGEARN Cc1ccc(/N=C/c2cc3c(cc2[N+](=O)[O-])OCO3)cc1[N+](=O)[O-] ZINC000100558375 219101939 /nfs/dbraw/zinc/10/19/39/219101939.db2.gz YRHRHESMGGLOQF-FRKPEAEDSA-N 0 0 329.268 3.291 50 30 EGEARN NC(=NC(=O)Nc1ccc(Cl)cc1)Nc1nc2ccccc2o1 ZINC000004211203 210144790 /nfs/dbraw/zinc/14/47/90/210144790.db2.gz OWLNOEYPDFIBJV-UHFFFAOYSA-N 0 0 329.747 3.440 50 30 EGEARN Cc1ccc(NC(=O)[C@@H]2CCCN2/C=C/C(=O)C(F)(F)F)cc1C ZINC000004119708 210124871 /nfs/dbraw/zinc/12/48/71/210124871.db2.gz DETNJZDPAWXEMO-KGXGESDWSA-N 0 0 340.345 3.351 50 30 EGEARN COc1ccc(-c2cc(C(=O)Nc3ccc(C#N)cc3)no2)cc1OC ZINC000003908135 210091628 /nfs/dbraw/zinc/09/16/28/210091628.db2.gz XQIYWAIXFQIZTF-UHFFFAOYSA-N 0 0 349.346 3.483 50 30 EGEARN N#Cc1cccc(Oc2ccc(CN3CCOCC3)c3cccnc23)n1 ZINC000067587167 215164618 /nfs/dbraw/zinc/16/46/18/215164618.db2.gz ODPJDXWOCZNVAH-UHFFFAOYSA-N 0 0 346.390 3.126 50 30 EGEARN CC(C)(C)OC(=O)N1CCC(NC(=O)Nc2ccccc2C#N)CC1 ZINC000067801116 215215018 /nfs/dbraw/zinc/21/50/18/215215018.db2.gz WMSATGNAUMRMJI-UHFFFAOYSA-N 0 0 344.415 3.079 50 30 EGEARN CNc1nc(Nc2cn(C(C)(C)C#N)nc2C)ncc1C(F)(F)F ZINC000103260600 219278373 /nfs/dbraw/zinc/27/83/73/219278373.db2.gz ZPPUMAMZIMPJGP-UHFFFAOYSA-N 0 0 339.325 3.044 50 30 in-vitro EGEARN Cc1ccc(/C=N/n2c(SCC#N)nc3ccccc3c2=O)cc1 ZINC000002802158 209917743 /nfs/dbraw/zinc/91/77/43/209917743.db2.gz WIBVZRJSSHLMBB-UDWIEESQSA-N 0 0 334.404 3.203 50 30 EGEARN CN(CCc1ccccn1)c1ncccc1CNc1ncccc1C#N ZINC000067983561 215268667 /nfs/dbraw/zinc/26/86/67/215268667.db2.gz APSOFSXGPSOPKO-UHFFFAOYSA-N 0 0 344.422 3.034 50 30 EGEARN Cc1ccc(C(=O)C2=C(O)C(=O)N[C@@H]2c2ccccc2Cl)cc1 ZINC000104144312 219352828 /nfs/dbraw/zinc/35/28/28/219352828.db2.gz ZTXARSUSXOJXSK-DPEHCCBOSA-N 0 0 327.767 3.358 50 30 EGEARN N#Cc1ccc(NC(=O)c2sc3nc4c(cc3c2N)CCC4)cc1 ZINC000000367219 283178469 /nfs/dbraw/zinc/17/84/69/283178469.db2.gz SGVXCHYKXNIURP-UHFFFAOYSA-N 0 0 334.404 3.491 50 30 EGEARN NC1=C(c2nc3ccccc3[nH]2)C(=O)CN1c1ccc(Cl)cc1F ZINC000005009276 283408763 /nfs/dbraw/zinc/40/87/63/283408763.db2.gz QJYXAWMHPCWKHL-UHFFFAOYSA-N 0 0 342.761 3.072 50 30 EGEARN Cc1nn(-c2ccccc2)c2[nH]c(=O)c(C#N)c(-c3cccnc3)c12 ZINC000000156101 209458301 /nfs/dbraw/zinc/45/83/01/209458301.db2.gz HWXQXZCOPNFHNJ-UHFFFAOYSA-N 0 0 327.347 3.368 50 30 EGEARN N#CC(N=Nc1ccc(Br)cc1)=C(N)N1CCCCC1 ZINC000000067833 209398659 /nfs/dbraw/zinc/39/86/59/209398659.db2.gz ZNPZRQKQRKOUDH-QFVQXBGYSA-N 0 0 334.221 3.204 50 30 EGEARN CC(=O)C1(c2ccccc2)CCN(C(=O)c2cccc(C#N)c2)CC1 ZINC000072434922 216229727 /nfs/dbraw/zinc/22/97/27/216229727.db2.gz XEPIMSPQRPTDQY-UHFFFAOYSA-N 0 0 332.403 3.321 50 30 EGEARN C[C@](OS(C)(=O)=O)(c1ccc(Br)cc1)C(F)(F)F ZINC000114001165 291346519 /nfs/dbraw/zinc/34/65/19/291346519.db2.gz DOIIWOSCJOIGLQ-VIFPVBQESA-N 0 0 347.152 3.203 50 30 EGEARN COc1cc(-c2c(C#N)c(N)nc3c2CCCC3)cc(OC)c1OC ZINC000020192685 212109374 /nfs/dbraw/zinc/10/93/74/212109374.db2.gz KMAHFEKVZIUJSC-UHFFFAOYSA-N 0 0 339.395 3.107 50 30 EGEARN CNc1ccccc(C(=O)/C=C/c2cccc(OC)c2OC)c1=O ZINC000019909667 212082634 /nfs/dbraw/zinc/08/26/34/212082634.db2.gz IYEWJOGCVSYGBW-VAWYXSNFSA-N 0 0 325.364 3.002 50 30 EGEARN Oc1ccccc1/C=N/N1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000019594636 212050149 /nfs/dbraw/zinc/05/01/49/212050149.db2.gz QXLZEGINMLHKDL-DEDYPNTBSA-N 0 0 329.831 3.197 50 30 EGEARN Cc1ccc(C)c(NC(=O)CCn2cc(-c3cccc(C#N)c3)nn2)c1 ZINC000091459435 218010208 /nfs/dbraw/zinc/01/02/08/218010208.db2.gz JHPZYWCKSAGLRW-UHFFFAOYSA-N 0 0 345.406 3.462 50 30 EGEARN N#Cc1ccccc1CN1C[C@H]2CC[C@@H]1CN(Cc1cscn1)C2 ZINC000091849229 218077597 /nfs/dbraw/zinc/07/75/97/218077597.db2.gz NISUNRFURXSHCO-HNAYVOBHSA-N 0 0 338.480 3.111 50 30 EGEARN C=CCc1c(C)nc(Nc2nc(C)c3cc(CC)ccc3n2)[nH]c1=O ZINC000009936625 211135431 /nfs/dbraw/zinc/13/54/31/211135431.db2.gz XYPUYHSXKUDZBH-UHFFFAOYSA-N 0 0 335.411 3.364 50 30 EGEARN C#CCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1 ZINC000008606655 210971572 /nfs/dbraw/zinc/97/15/72/210971572.db2.gz NLZZCZMKRRPFRZ-OAHLLOKOSA-N 0 0 345.402 3.199 50 30 EGEARN COc1ccc(C(=O)C2=C(O)C(=O)N(C)[C@@H]2c2ccc(C)cc2)cc1 ZINC000005687227 210517951 /nfs/dbraw/zinc/51/79/51/210517951.db2.gz AJOUVKPQJSPPNF-QGZVFWFLSA-N 0 0 337.375 3.212 50 30 EGEARN C=CCOc1cccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c1 ZINC000004843476 210297347 /nfs/dbraw/zinc/29/73/47/210297347.db2.gz WNRRVUUQOOPPBD-UHFFFAOYSA-N 0 0 340.398 3.353 50 30 EGEARN N#Cc1nc(/C=C/c2cccs2)oc1NCCCn1ccnc1 ZINC000004810281 210283361 /nfs/dbraw/zinc/28/33/61/210283361.db2.gz LTXPHQJCAWIOPW-SNAWJCMRSA-N 0 0 325.397 3.477 50 30 EGEARN C=CCN(c1ccc(C(=O)Nc2ccc(F)cc2)cc1)S(C)(=O)=O ZINC000004810874 210282937 /nfs/dbraw/zinc/28/29/37/210282937.db2.gz KHKDQSNFUCYTSI-UHFFFAOYSA-N 0 0 348.399 3.030 50 30 EGEARN Cc1cc(C)c(C(=N)NOC(=O)c2ccccc2Cl)c(Cl)n1 ZINC000004771503 210273554 /nfs/dbraw/zinc/27/35/54/210273554.db2.gz QYPUSYBKIIPGBZ-UHFFFAOYSA-N 0 0 338.194 3.483 50 30 EGEARN O=[N+]([O-])c1cccc(CN=Nc2nc(-c3cccc(O)c3)cs2)c1 ZINC000008513417 258012064 /nfs/dbraw/zinc/01/20/64/258012064.db2.gz YLRSQMHQRWJMAJ-RQZCQDPDSA-N 0 0 340.364 3.292 50 30 EGEARN Cc1nc(S(=O)(=O)N(C)c2ccccc2)c(C#N)c(C)c1Cl ZINC000000118980 258047314 /nfs/dbraw/zinc/04/73/14/258047314.db2.gz SKIOBYLBCQALHH-UHFFFAOYSA-N 0 0 335.816 3.049 50 30 EGEARN COc1cccc(/C=N/c2ccc(N3CCOCC3)cc2)c1OC ZINC000004663679 135665197 /nfs/dbraw/zinc/66/51/97/135665197.db2.gz MGVFWIZLIXVORQ-XSFVSMFZSA-N 0 0 326.396 3.291 50 30 EGEARN COc1c2c(cc3c1C=C(C(=O)c1ccccc1)N(C)CC3)OCO2 ZINC000040312856 274090664 /nfs/dbraw/zinc/09/06/64/274090664.db2.gz CADHDSJLIFIMFV-UHFFFAOYSA-N 0 0 337.375 3.136 50 30 biogenic EGEARN C=CCn1c(C)nc2c3cc4c(nc3sc2c1=O)CC(C)(C)OC4 ZINC000000205450 275435217 /nfs/dbraw/zinc/43/52/17/275435217.db2.gz UJMWRSJYYDFUTN-UHFFFAOYSA-N 0 0 341.436 3.352 50 30 EGEARN COc1cccc([C@@H]2CC(=O)OC3=C2C(=O)c2ccccc2C3=O)c1 ZINC000004751348 278019875 /nfs/dbraw/zinc/01/98/75/278019875.db2.gz BIZQXCNLWNHYRB-HNNXBMFYSA-N 0 0 334.327 3.059 50 30 EGEARN CC(C)(C)C(=O)C=C1N[C@@H]2CCCC[C@H]2NC1=CC(=O)C(C)(C)C ZINC000004576404 278283552 /nfs/dbraw/zinc/28/35/52/278283552.db2.gz PEMLPACMQJOXII-FGBSXMGPSA-N 0 0 332.488 3.489 50 30 EGEARN O=C1ON=C(c2ccc(Cl)cc2)/C1=C\c1ccc2c(c1)OCO2 ZINC000100733719 280310117 /nfs/dbraw/zinc/31/01/17/280310117.db2.gz BDYAXRKNUFVHHY-NTUHNPAUSA-N 0 0 327.723 3.413 50 30 EGEARN N#Cc1c(NC(=S)NC(=O)c2ccco2)sc2c1CCCC2 ZINC000000284394 294866548 /nfs/dbraw/zinc/86/65/48/294866548.db2.gz DTYOORCBCYBHHY-UHFFFAOYSA-N 0 0 331.422 3.218 50 30 EGEARN N#CC1(C#N)[C@H]2CCCC[C@]23OC(=N)[C@@]1(C#N)[C@@H](Cc1ccccc1)O3 ZINC000004198934 303139012 /nfs/dbraw/zinc/13/90/12/303139012.db2.gz MCBJDBNHNDAUID-SMOSDQRPSA-N 0 0 346.390 3.065 50 30 EGEARN O=[N+]([O-])c1ccc(C=NN2C(=S)N=NC2c2ccccc2)cc1 ZINC000239212599 455261134 /nfs/dbraw/zinc/26/11/34/455261134.db2.gz TTZIAKNUUKCNGO-UHFFFAOYSA-N 0 0 325.353 3.024 50 30 EGEARN N#Cc1ccc(NC(=O)c2ccccc2I)cc1 ZINC000000095891 452505616 /nfs/dbraw/zinc/50/56/16/452505616.db2.gz UZKBPVBWTKLXJS-UHFFFAOYSA-N 0 0 348.143 3.415 50 30 EGEARN N#Cc1ccc(S(=O)(=O)Nc2ccccc2N2CCCCC2)cc1 ZINC000000155052 452523169 /nfs/dbraw/zinc/52/31/69/452523169.db2.gz AYEXBRXHYKZJEH-UHFFFAOYSA-N 0 0 341.436 3.349 50 30 EGEARN CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1 ZINC000000332968 452566323 /nfs/dbraw/zinc/56/63/23/452566323.db2.gz LRNXUFGJTBOSHN-HNNXBMFYSA-N 0 0 341.407 3.177 50 30 EGEARN O=S(=O)(N/N=C/c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000000442043 452593460 /nfs/dbraw/zinc/59/34/60/452593460.db2.gz AYDSCGOBDZHVLL-CXUHLZMHSA-N 0 0 329.208 3.306 50 30 EGEARN COc1cc(/C=N/NC(=S)Cc2ccccc2)cc(OC)c1OC ZINC000000448716 452595579 /nfs/dbraw/zinc/59/55/79/452595579.db2.gz FEGUQQKUXKDEJW-XDHOZWIPSA-N 0 0 344.436 3.206 50 30 EGEARN COC(=O)c1ccc(/N=C/c2ccc(OC(C)=O)c(OC)c2)cc1 ZINC000000587917 452630442 /nfs/dbraw/zinc/63/04/42/452630442.db2.gz LFOHBNTTYIWIDB-YBFXNURJSA-N 0 0 327.336 3.158 50 30 EGEARN C=CCOC(=O)c1sc(NC(=O)/C=C/c2ccccc2)nc1C ZINC000002693425 452714126 /nfs/dbraw/zinc/71/41/26/452714126.db2.gz QTNWATYVJZKKOV-MDZDMXLPSA-N 0 0 328.393 3.446 50 30 EGEARN CN1C(=O)C[C@@H](c2ccc([N+](=O)[O-])cc2)C2=C1CC(C)(C)CC2=O ZINC000002905235 452733672 /nfs/dbraw/zinc/73/36/72/452733672.db2.gz IDPPEDDMOJOGDC-ZDUSSCGKSA-N 0 0 328.368 3.184 50 30 EGEARN C#CCOC(=O)/C(=C/C=C/c1ccccc1)NC(=O)c1ccccc1 ZINC000002983318 452737657 /nfs/dbraw/zinc/73/76/57/452737657.db2.gz BCHBWZJOUDAPIO-YDJMSOKMSA-N 0 0 331.371 3.190 50 30 aggregator EGEARN COc1ccc(C(=O)C2=C(O)C(=O)N(C)[C@H]2c2cccc(F)c2)cc1 ZINC000005686970 452895897 /nfs/dbraw/zinc/89/58/97/452895897.db2.gz OKKWKPFJLYHHJT-INIZCTEOSA-N 0 0 341.338 3.042 50 30 EGEARN Cc1cccc(/N=C2/NC(=O)[C@H](Cc3cccc([N+](=O)[O-])c3)S2)c1 ZINC000005784580 452901249 /nfs/dbraw/zinc/90/12/49/452901249.db2.gz JQEYDMDMXFJSMF-HNNXBMFYSA-N 0 0 341.392 3.365 50 30 EGEARN CSc1ccc(/C=N/NS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000006249228 452928854 /nfs/dbraw/zinc/92/88/54/452928854.db2.gz FLOLOFTUQRXOLX-MHWRWJLKSA-N 0 0 340.857 3.374 50 30 EGEARN C=CC[NH2+][C@H](CC(=O)Nc1ccc(Oc2ccccc2)cc1)C(=O)[O-] ZINC000006293466 452930618 /nfs/dbraw/zinc/93/06/18/452930618.db2.gz UZLRNQCFQBIUIM-QGZVFWFLSA-N 0 0 340.379 3.036 50 30 EGEARN COc1ccc([C@H]2NC(=O)C(O)=C2C(=O)c2ccc(Cl)cc2)cc1 ZINC000006493623 452947577 /nfs/dbraw/zinc/94/75/77/452947577.db2.gz FPKFDSMSUOTFNG-OAHLLOKOSA-N 0 0 343.766 3.215 50 30 EGEARN CC1(C)Cc2c(C#N)c(NC(=O)NCc3cccnc3)sc2CO1 ZINC000006670350 452966586 /nfs/dbraw/zinc/96/65/86/452966586.db2.gz XVWVFCLBQNPWJB-UHFFFAOYSA-N 0 0 342.424 3.188 50 30 EGEARN C=C(C)CN1c2ccccc2[C@@](O)(CC(=O)c2c(C)coc2C)C1=O ZINC000006729389 452978243 /nfs/dbraw/zinc/97/82/43/452978243.db2.gz XQSAJBJEGBHNLO-FQEVSTJZSA-N 0 0 339.391 3.280 50 30 EGEARN O=C(Nc1ccc(F)cc1)[C@@H]1CC(=O)N/C(=N\c2ccccc2)S1 ZINC000013552688 453469255 /nfs/dbraw/zinc/46/92/55/453469255.db2.gz VMCBSUJRIDQQNW-AWEZNQCLSA-N 0 0 343.383 3.074 50 30 EGEARN COc1ccc(/N=C2/NC(=O)[C@H](Cc3ccc(F)cc3)S2)cc1 ZINC000016739811 453621669 /nfs/dbraw/zinc/62/16/69/453621669.db2.gz JYWICGJGYDQQGN-HNNXBMFYSA-N 0 0 330.384 3.296 50 30 EGEARN C[C@@H]1CN(c2oc(COc3ccc(Cl)cc3)nc2C#N)C[C@H](C)O1 ZINC000016810162 453622124 /nfs/dbraw/zinc/62/21/24/453622124.db2.gz LDWGQSSRGZBPHO-TXEJJXNPSA-N 0 0 347.802 3.392 50 30 EGEARN Cc1c(C#N)c(N)nc(SCC(=O)c2ccc(Cl)cc2)c1C#N ZINC000018122775 453644501 /nfs/dbraw/zinc/64/45/01/453644501.db2.gz FGTYAFKIXRTJNG-UHFFFAOYSA-N 0 0 342.811 3.344 50 30 EGEARN COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1cc(F)ccc1F ZINC000019810983 453659571 /nfs/dbraw/zinc/65/95/71/453659571.db2.gz BEXDEWNYZFMRFL-INIZCTEOSA-N 0 0 333.334 3.106 50 30 EGEARN COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1cc(F)ccc1F ZINC000019810979 453659998 /nfs/dbraw/zinc/65/99/98/453659998.db2.gz BEXDEWNYZFMRFL-MRXNPFEDSA-N 0 0 333.334 3.106 50 30 EGEARN Cc1ccc(S(=O)(=O)c2oc(-c3ccc(F)cc3)nc2C#N)cc1 ZINC000027663332 453819751 /nfs/dbraw/zinc/81/97/51/453819751.db2.gz DBVPJYRDPGEGPZ-UHFFFAOYSA-N 0 0 342.351 3.494 50 30 EGEARN COc1cc(CN=Nc2nccs2)cc(Br)c1O ZINC000031854305 453856382 /nfs/dbraw/zinc/85/63/82/453856382.db2.gz HZZZMYNJCUUSPE-NSIKDUERSA-N 0 0 328.191 3.066 50 30 EGEARN N#CC(=NNc1ccc2c(c1)OCCO2)c1nc2ccccc2s1 ZINC000033686056 453916683 /nfs/dbraw/zinc/91/66/83/453916683.db2.gz LBKVCGXORWYEJZ-BKUYFWCQSA-N 0 0 336.376 3.407 50 30 EGEARN N#Cc1ccnc(N2CC[C@@H](c3ccc4ccccc4c3)[C@H](O)C2)c1 ZINC000067672942 453955311 /nfs/dbraw/zinc/95/53/11/453955311.db2.gz KQOVFFSCRMBRHM-VQTJNVASSA-N 0 0 329.403 3.461 50 30 EGEARN COc1ccc(/C=N/N2C(=O)C[C@H]2c2ccccc2)c(OC)c1OC ZINC000071283871 454203700 /nfs/dbraw/zinc/20/37/00/454203700.db2.gz NRTMAAZPSDRVNR-SLDJAQPHSA-N 0 0 340.379 3.020 50 30 EGEARN N#Cc1cccc(-c2cn([C@@H](CO)Cc3ccc(Cl)cc3)nn2)c1 ZINC000091321818 454427211 /nfs/dbraw/zinc/42/72/11/454427211.db2.gz VTAUKPMOTQCTDC-QGZVFWFLSA-N 0 0 338.798 3.246 50 30 EGEARN Cc1cccc(N2C[C@@H](c3noc(-c4cccc(C#N)c4)n3)CC2=O)c1 ZINC000049060372 454530634 /nfs/dbraw/zinc/53/06/34/454530634.db2.gz WUNAJBVRJDFMKS-INIZCTEOSA-N 0 0 344.374 3.437 50 30 EGEARN O=S(=O)(O[C@@H]1CC[C@H]2CC[C@@H]21)c1ccc(Br)cc1 ZINC000104949362 454611934 /nfs/dbraw/zinc/61/19/34/454611934.db2.gz ICMSWNALDAFPPO-JIMOISOXSA-N 0 0 331.231 3.343 50 30 EGEARN CC1=C2C(=NC(=O)[C@H](C#N)[C@@H]2c2cccc(Oc3ccccc3)c2)NN1 ZINC000585145672 459829870 /nfs/dbraw/zinc/82/98/70/459829870.db2.gz WSSMPNRMSPVDCQ-AEFFLSMTSA-N 0 0 344.374 3.023 50 30 EGEARN C=CCN(Cc1nc(-c2ccccc2)no1)Cc1cccnc1NC ZINC000055385140 518799452 /nfs/dbraw/zinc/79/94/52/518799452.db2.gz PNZAQYDWZFCVIV-UHFFFAOYSA-N 0 0 335.411 3.362 50 30 EGEARN CC(C)(C)c1ccc(C(=O)ONC(=N)c2cccc([N+](=O)[O-])c2)cc1 ZINC000018250218 519024107 /nfs/dbraw/zinc/02/41/07/519024107.db2.gz IKHPZEWLKNUHAC-UHFFFAOYSA-N 0 0 341.367 3.370 50 30 EGEARN CCC(=O)NC(=S)Nc1nc(C)c(C(=O)/C=C/c2ccco2)s1 ZINC000005500932 519084358 /nfs/dbraw/zinc/08/43/58/519084358.db2.gz HUXBVSKHJMGQRG-VOTSOKGWSA-N 0 0 349.437 3.164 50 30 EGEARN COc1cc(OC)c(C(=O)/C=C/c2ccc(OC)c(O)c2)c(OC)c1 ZINC000004252613 522786603 /nfs/dbraw/zinc/78/66/03/522786603.db2.gz YZUGNKFMDOBYCA-FNORWQNLSA-N 0 0 344.363 3.323 50 30 EGEARN COc1ccc(C(=N)NOC(=O)c2ccc(C)cc2Cl)cc1OC ZINC000004755425 523371765 /nfs/dbraw/zinc/37/17/65/523371765.db2.gz FWSHRRLPYUHXRC-UHFFFAOYSA-N 0 0 348.786 3.143 50 30 EGEARN COc1ccc(/C=N/n2cnnc2)cc1COc1cccc(C)c1C ZINC000000520788 523459550 /nfs/dbraw/zinc/45/95/50/523459550.db2.gz SDDFHPKWQMHCMF-LSHDLFTRSA-N 0 0 336.395 3.365 50 30 EGEARN CNC(=S)N=NCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000004749719 523672011 /nfs/dbraw/zinc/67/20/11/523672011.db2.gz DXNYJNKZSSKVKT-ODLFYWEKSA-N 0 0 329.425 3.113 50 30 EGEARN Cc1ccc(NC(=O)C[C@@H]2CC3=C(CCCC3=O)NC2=O)cc1Cl ZINC001740818296 1439498504 /nfs/dbraw/zinc/49/85/04/1439498504.db2.gz YUXIBPHERWRLDD-NSHDSACASA-N 0 0 346.814 3.120 50 30 EGEARN C=CCN1C(=S)N=NC1CCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000004694532 210250309 /nfs/dbraw/zinc/25/03/09/210250309.db2.gz HTLJCJFKLHEWIA-UHFFFAOYSA-N 0 0 336.848 3.286 50 30 EGEARN CC(C)(C)OC(=O)Nc1nc(-c2ccc(/C(N)=N/O)cc2)cs1 ZINC000098071498 219077403 /nfs/dbraw/zinc/07/74/03/219077403.db2.gz UERHOGGYEPCACK-UHFFFAOYSA-N 0 0 334.401 3.252 50 30 EGEARN N#Cc1cnn2c1ncc1c(C=CNc3ccccc3C#N)nccc12 ZINC000100311487 219097057 /nfs/dbraw/zinc/09/70/57/219097057.db2.gz WQLYBORTYSSFMO-FNORWQNLSA-N 0 0 337.346 3.104 50 30 EGEARN Cc1nn(-c2ccccc2)c(N)c1N=Nc1ccc2c(c1)OCCO2 ZINC000100982611 219112659 /nfs/dbraw/zinc/11/26/59/219112659.db2.gz HLWCPTWUQZWKDR-FLEYMXQWSA-N 0 0 335.367 3.099 50 30 EGEARN COCc1cc(C)nc(N=NCc2cc(Cl)ccc2O)c1C#N ZINC000004321291 210170596 /nfs/dbraw/zinc/17/05/96/210170596.db2.gz XOGGWHSVLZXNRF-UFWORHAWSA-N 0 0 330.775 3.213 50 30 EGEARN Nc1c(-c2nc3ccccc3s2)c(O)cn1N=Cc1ccncc1 ZINC000102728379 219225406 /nfs/dbraw/zinc/22/54/06/219225406.db2.gz FLWMBPAUQWZTGL-ZMHJNSJFSA-N 0 0 335.392 3.287 50 30 EGEARN CCOc1ccc(-c2cc(-c3cnn(CC)c3)c(C#N)c(N)n2)cc1 ZINC000067542198 215159316 /nfs/dbraw/zinc/15/93/16/215159316.db2.gz ISQWOSWRHXMREF-UHFFFAOYSA-N 0 0 333.395 3.485 50 30 EGEARN Cc1ccc(-c2cc(-c3ccccc3OCCO)c(C#N)c(N)n2)o1 ZINC000067770205 215207824 /nfs/dbraw/zinc/20/78/24/215207824.db2.gz ZCMUSAZECZAADV-UHFFFAOYSA-N 0 0 335.363 3.142 50 30 EGEARN N#Cc1cccnc1Oc1ccc(CN2CCOCC2)c2cccnc12 ZINC000067840990 215227005 /nfs/dbraw/zinc/22/70/05/215227005.db2.gz DCPQFSBRRPGSDH-UHFFFAOYSA-N 0 0 346.390 3.126 50 30 EGEARN CCN(CC)C(=O)c1sc(NC(=O)c2ccncc2)c(C#N)c1C ZINC000002761323 209903123 /nfs/dbraw/zinc/90/31/23/209903123.db2.gz IMXPAGWTOTXHLW-UHFFFAOYSA-N 0 0 342.424 3.058 50 30 EGEARN CCOP(=O)(OCC)C(C#N)=NOC(=O)Nc1ccccc1 ZINC000002266461 209835223 /nfs/dbraw/zinc/83/52/23/209835223.db2.gz OMBRUJADSCKGAU-FOWTUZBSSA-N 0 0 325.261 3.338 50 30 EGEARN COC(=O)C1=C(N)c2c(cccc2F)[C@@]1(C#N)c1ccc(Cl)cc1 ZINC000001400294 290926134 /nfs/dbraw/zinc/92/61/34/290926134.db2.gz QPGBABUYDJSDAL-GOSISDBHSA-N 0 0 342.757 3.145 50 30 EGEARN O=C1/C(=N\[O-])c2ccccc2N1CCOc1cccc2ccccc21 ZINC000039853892 213242983 /nfs/dbraw/zinc/24/29/83/213242983.db2.gz CCYDPLRVNJJTTP-VZCXRCSSSA-N 0 0 332.359 3.444 50 30 EGEARN CSc1ccc(C=NN2C(=S)N=NC2c2cccnc2)cc1 ZINC000001308197 209725690 /nfs/dbraw/zinc/72/56/90/209725690.db2.gz QRDVWEXWKHSHLI-RQZCQDPDSA-N 0 0 327.438 3.233 50 30 EGEARN N#C[C@H]1[C@H]2Sc3ccccc3N2[C@H](C(=O)c2ccccc2)[C@H]1C#N ZINC000004661604 283070777 /nfs/dbraw/zinc/07/07/77/283070777.db2.gz SFLWOYGIMCMLGY-BDEJMISXSA-N 0 0 331.400 3.469 50 30 EGEARN C=CCn1cc(-c2c(C)c(-c3ccc(O)cc3)nc(N)c2C#N)cn1 ZINC000071497784 215782398 /nfs/dbraw/zinc/78/23/98/215782398.db2.gz AXECIXFBPUIWIA-UHFFFAOYSA-N 0 0 331.379 3.266 50 30 EGEARN Cn1ncc(NC(=O)O/N=C/c2c(F)cccc2Cl)c1Cl ZINC000000160128 209458979 /nfs/dbraw/zinc/45/89/79/209458979.db2.gz UBVVEAXPUVPRHS-YAXRCOADSA-N 0 0 331.134 3.449 50 30 EGEARN N#Cc1ccc(S(=O)(=O)N2CCS[C@@H](c3ccco3)CC2)cc1 ZINC000219454614 241389155 /nfs/dbraw/zinc/38/91/55/241389155.db2.gz QPMJBXZDOKIWRZ-MRXNPFEDSA-N 0 0 348.449 3.020 50 30 EGEARN CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccco1 ZINC000020058124 212099096 /nfs/dbraw/zinc/09/90/96/212099096.db2.gz AQNTWVPFUBVYNT-MRXNPFEDSA-N 0 0 335.359 3.411 50 30 EGEARN Cc1c(-c2cnn(C)c2)nc(N)c(C#N)c1-c1cccc2cnccc21 ZINC000071767607 291480018 /nfs/dbraw/zinc/48/00/18/291480018.db2.gz PKIGRAAGDOWBJI-UHFFFAOYSA-N 0 0 340.390 3.460 50 30 EGEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccccc1OC ZINC000019638642 212052811 /nfs/dbraw/zinc/05/28/11/212052811.db2.gz XWCVJHIWWGHHJF-SFHVURJKSA-N 0 0 341.407 3.226 50 30 EGEARN C=CC[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2ccc(OC)c(COC)c2)C1 ZINC000091829592 218071501 /nfs/dbraw/zinc/07/15/01/218071501.db2.gz KLOJPQFRXJPJHS-LJQANCHMSA-N 0 0 333.428 3.085 50 30 EGEARN O=C(/C=C/c1cc2c(cc1Br)OCO2)c1ccccn1 ZINC000010434354 211172655 /nfs/dbraw/zinc/17/26/55/211172655.db2.gz NBXRXCRICNNUIR-SNAWJCMRSA-N 0 0 332.153 3.469 50 30 EGEARN N#Cc1c(NC(=O)N(CCO)Cc2ccccc2)sc2c1CCC2 ZINC000006662039 210673228 /nfs/dbraw/zinc/67/32/28/210673228.db2.gz JTWNIHFVMIIUKU-UHFFFAOYSA-N 0 0 341.436 3.135 50 30 EGEARN Cc1cccc(Cn2cccc(C(=O)Nc3ccccc3C#N)c2=O)c1 ZINC000005269661 210429531 /nfs/dbraw/zinc/42/95/31/210429531.db2.gz WSGDKTMUINBANU-UHFFFAOYSA-N 0 0 343.386 3.329 50 30 EGEARN O=[N+]([O-])c1ccc(N=NC2[C@H]3[C@H]4[C@H]5[C@@H]3C[C@@H]3[C@H]5C[C@H]4[C@H]23)c([N+](=O)[O-])c1 ZINC000245266928 285119647 /nfs/dbraw/zinc/11/96/47/285119647.db2.gz KSEOYFBWVDHLNF-YQIOADKLSA-N 0 0 340.339 3.049 50 30 EGEARN Cc1cccc(/C=N/N=C2\NC(=O)[C@H](Cc3cccc(C)c3)S2)c1 ZINC000004964801 210342398 /nfs/dbraw/zinc/34/23/98/210342398.db2.gz CQRANTBCPWKHTN-RONKMWSCSA-N 0 0 337.448 3.468 50 30 EGEARN COc1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)c(OC)c1 ZINC000004822680 210287844 /nfs/dbraw/zinc/28/78/44/210287844.db2.gz AINRFKCOQWNUCA-UHFFFAOYSA-N 0 0 349.202 3.475 50 30 EGEARN O=C1Nc2ccc(Br)cc2/C1=N\c1cccc([N+](=O)[O-])c1 ZINC000018243715 296400018 /nfs/dbraw/zinc/40/00/18/296400018.db2.gz VCHLKAUWEIZAIQ-UHFFFAOYSA-N 0 0 346.140 3.430 50 30 EGEARN C=C(C)COc1ccc(NC(=O)N(CC)Cc2noc(C)n2)cc1 ZINC000096151839 258012568 /nfs/dbraw/zinc/01/25/68/258012568.db2.gz AWLBXROVOMRKAP-UHFFFAOYSA-N 0 0 330.388 3.387 50 30 EGEARN CC#CCN(Cc1ccco1)C(=O)CC(=O)Nc1ccc(C)cc1C ZINC000055054027 258014980 /nfs/dbraw/zinc/01/49/80/258014980.db2.gz KANKZOFPDTYEMZ-UHFFFAOYSA-N 0 0 338.407 3.277 50 30 EGEARN O=C(OCC#CCSc1nnc(-c2ccccc2)o1)c1ccco1 ZINC000002377637 258017110 /nfs/dbraw/zinc/01/71/10/258017110.db2.gz GVDAJYKLSRPVEF-UHFFFAOYSA-N 0 0 340.360 3.282 50 30 EGEARN CCOC(=O)/C(=C\c1cc(Br)ccc1OCC)C(C)=O ZINC000000465596 258048574 /nfs/dbraw/zinc/04/85/74/258048574.db2.gz APVIJHGCIPHTKM-LCYFTJDESA-N 0 0 341.201 3.383 50 30 EGEARN CCn1cc(C(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)c(C)n1 ZINC000006490227 258051922 /nfs/dbraw/zinc/05/19/22/258051922.db2.gz DSPYHEDKEIXPKY-BQYQJAHWSA-N 0 0 330.384 3.133 50 30 EGEARN CCOC(=O)C1=C(CC)NC2=C(C(=O)CCC2)[C@H]1c1ccc(O)cc1 ZINC000019315209 285671241 /nfs/dbraw/zinc/67/12/41/285671241.db2.gz BQDWJUIBZHJYRR-QGZVFWFLSA-N 0 0 341.407 3.313 50 30 EGEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccco1 ZINC000019203709 285670223 /nfs/dbraw/zinc/67/02/23/285670223.db2.gz WKOSWJZFFXTFHN-QGZVFWFLSA-N 0 0 329.396 3.447 50 30 EGEARN O=C1c2ccccc2N[C@H](c2ccc(Br)s2)N1O ZINC000000374745 452573320 /nfs/dbraw/zinc/57/33/20/452573320.db2.gz SYXGNGJIEGEIHB-NSHDSACASA-N 0 0 325.187 3.466 50 30 EGEARN COc1cc2c(cc1-c1cc(-c3ccco3)nc(N)c1C#N)OCCO2 ZINC000067743009 277391199 /nfs/dbraw/zinc/39/11/99/277391199.db2.gz RSDJXJXZLGFERJ-UHFFFAOYSA-N 0 0 349.346 3.242 50 30 EGEARN CN(C)c1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3ncnn32)cc1 ZINC000018195999 289411557 /nfs/dbraw/zinc/41/15/57/289411557.db2.gz KIYUEVQLSILEJF-QGZVFWFLSA-N 0 0 337.427 3.002 50 30 EGEARN COc1cccc([C@H]2Nc3nonc3N=C3CC(C)(C)CC(=O)C32)c1 ZINC000012408606 295329826 /nfs/dbraw/zinc/32/98/26/295329826.db2.gz RKMAUOBCBKBZPN-OAHLLOKOSA-N 0 0 340.383 3.300 50 30 EGEARN C#C[C@](C)(CC)NC(=O)c1cc2cc(Br)ccc2oc1=O ZINC000000099819 452505894 /nfs/dbraw/zinc/50/58/94/452505894.db2.gz CGOOIZIIJMLJDB-MRXNPFEDSA-N 0 0 348.196 3.087 50 30 EGEARN COc1ccc(S(=O)(=O)N/N=C(/C)c2ccc(Cl)cc2)cc1 ZINC000000135634 452518139 /nfs/dbraw/zinc/51/81/39/452518139.db2.gz YPMKTVSMBAIMGE-BOPFTXTBSA-N 0 0 338.816 3.051 50 30 EGEARN COc1cc(/C=C2\N=C(SC)SC2=O)cc(OC)c1OC ZINC000000199429 452533537 /nfs/dbraw/zinc/53/35/37/452533537.db2.gz KZPIUGHCUAYLJJ-UITAMQMPSA-N 0 0 325.411 3.046 50 30 EGEARN CC(O)=C1C(=O)C(=O)N(c2ccccn2)[C@@H]1c1ccc(Cl)cc1 ZINC000000283382 452554241 /nfs/dbraw/zinc/55/42/41/452554241.db2.gz YEURINGIJKHIBZ-OAHLLOKOSA-N 0 0 328.755 3.224 50 30 EGEARN CCOc1cc(/C=N/c2ccc(C)c(C)c2)ccc1OCC(N)=O ZINC000000361121 452572513 /nfs/dbraw/zinc/57/25/13/452572513.db2.gz LYASGWZTGVGUKG-SRZZPIQSSA-N 0 0 326.396 3.317 50 30 EGEARN CCc1ccc(/C(C)=N/NS(=O)(=O)c2ccc(OC)cc2)s1 ZINC000000372978 452574702 /nfs/dbraw/zinc/57/47/02/452574702.db2.gz AIEKWNLSTMFWLZ-LFIBNONCSA-N 0 0 338.454 3.022 50 30 EGEARN N#C[C@]1(Nc2cccc(Br)c2)C(=O)Nc2ccccc21 ZINC000000549432 452620963 /nfs/dbraw/zinc/62/09/63/452620963.db2.gz KWLLOZQKTMTYOZ-OAHLLOKOSA-N 0 0 328.169 3.232 50 30 EGEARN CCN(CC)c1ccc(-n2c(C)cc(/C=N/n3cnnc3)c2C)cc1 ZINC000000858520 452636976 /nfs/dbraw/zinc/63/69/76/452636976.db2.gz KCQBKXSOBVRIPB-WSDLNYQXSA-N 0 0 336.443 3.414 50 30 EGEARN C=C(CS(=O)(=O)c1ccccc1)C(=O)Nc1ccc(Cl)cc1 ZINC000001387669 452658926 /nfs/dbraw/zinc/65/89/26/452658926.db2.gz BAVVAZIZAFFAHI-UHFFFAOYSA-N 0 0 335.812 3.309 50 30 EGEARN N#Cc1ccc(C(=O)c2ccccc2I)cc1 ZINC000002392628 452695971 /nfs/dbraw/zinc/69/59/71/452695971.db2.gz JYBKPLFUGQMVNQ-UHFFFAOYSA-N 0 0 333.128 3.394 50 30 EGEARN O[C@@H](C#Cc1ccccc1)C#CC(O)(c1ccccc1)c1ccccc1 ZINC000002473849 452698777 /nfs/dbraw/zinc/69/87/77/452698777.db2.gz DXABUTUQUQBXDJ-QHCPKHFHSA-N 0 0 338.406 3.339 50 30 EGEARN S=C1N=NCN1N=Cc1ccc(COc2ccc(Cl)cc2)o1 ZINC000002789918 452724531 /nfs/dbraw/zinc/72/45/31/452724531.db2.gz SORXYWHMVJFAGE-REZTVBANSA-N 0 0 334.788 3.274 50 30 EGEARN N#Cc1c2c(sc1NC(=O)CO/N=C/c1ccccc1)CCCC2 ZINC000002943704 452735414 /nfs/dbraw/zinc/73/54/14/452735414.db2.gz WPWBTAXQEAIEEX-RGVLZGJSSA-N 0 0 339.420 3.488 50 30 EGEARN N#CC(c1nc2ccccc2nc1Cl)S(=O)(=O)c1ccccc1 ZINC000003278428 452756750 /nfs/dbraw/zinc/75/67/50/452756750.db2.gz XDUDZMHWULSAEP-AWEZNQCLSA-N 0 0 343.795 3.322 50 30 EGEARN CN1c2ccccc2[C@@](O)(CC(=O)C=CC=Cc2ccccc2)C1=O ZINC000004535119 452806683 /nfs/dbraw/zinc/80/66/83/452806683.db2.gz DHXLGCCCWUZASP-XANBPEORSA-N 0 0 333.387 3.079 50 30 EGEARN O=C(C1=C(O)C(=O)N[C@@H]1c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000006493892 452947287 /nfs/dbraw/zinc/94/72/87/452947287.db2.gz HPIRLVOOCKCIDH-CQSZACIVSA-N 0 0 331.730 3.345 50 30 EGEARN CCNc1oc(/C=C/c2cc(OC)c(OC)c(OC)c2)nc1C#N ZINC000008227387 453178646 /nfs/dbraw/zinc/17/86/46/453178646.db2.gz YVKASMHMAXBGDJ-VOTSOKGWSA-N 0 0 329.356 3.174 50 30 EGEARN Cc1cc(=O)[nH]c(NN=C(N=Nc2ccc(O)cc2)c2ccccc2)n1 ZINC000013548326 453470121 /nfs/dbraw/zinc/47/01/21/453470121.db2.gz TXPAHBROTXAZDN-HXNIXJDOSA-N 0 0 348.366 3.342 50 30 EGEARN COc1ccc(CN2C(=O)CS/C2=N\N=C\c2ccccc2)cc1 ZINC000013598981 453474480 /nfs/dbraw/zinc/47/44/80/453474480.db2.gz PTVSIGLSUZUGMF-IVUIJMHVSA-N 0 0 339.420 3.161 50 30 EGEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(OC)cc1 ZINC000019285941 453655669 /nfs/dbraw/zinc/65/56/69/453655669.db2.gz ZKWLPRVCZKURKF-GOSISDBHSA-N 0 0 341.407 3.226 50 30 EGEARN N#Cc1c(C(F)(F)F)cc(-c2ccccc2)nc1N1CCOCC1 ZINC000020385925 453665003 /nfs/dbraw/zinc/66/50/03/453665003.db2.gz DOCPHRXCEMOVKW-UHFFFAOYSA-N 0 0 333.313 3.476 50 30 EGEARN CC(C)c1nc(C#N)c(NC[C@H](c2ccccc2)N2CCOCC2)o1 ZINC000027748676 453820238 /nfs/dbraw/zinc/82/02/38/453820238.db2.gz YTAKQHNXOFJVAL-QGZVFWFLSA-N 0 0 340.427 3.155 50 30 EGEARN CC(=O)c1sc(N=NCc2ccccc2Br)nc1C ZINC000032653926 453882194 /nfs/dbraw/zinc/88/21/94/453882194.db2.gz JAHOSFZLDCWNFD-CHHVJCJISA-N 0 0 338.230 3.285 50 30 EGEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccn1 ZINC000100096766 454464189 /nfs/dbraw/zinc/46/41/89/454464189.db2.gz AHCKWRHUVFWRDM-GOSISDBHSA-N 0 0 340.423 3.249 50 30 EGEARN C=CCn1c(CN(C)Cc2cccnc2)nnc1SCC(=C)Cl ZINC000064110418 454467090 /nfs/dbraw/zinc/46/70/90/454467090.db2.gz LBSSULIWIQYKLV-UHFFFAOYSA-N 0 0 349.891 3.336 50 30 EGEARN CC(=O)[C@@H]1C(=O)c2c(cccc2[N+](=O)[O-])/C1=N\c1cccc(F)c1 ZINC000101405238 454470198 /nfs/dbraw/zinc/47/01/98/454470198.db2.gz VCDXOPRMVXIJHU-XZKWLNOSSA-N 0 0 326.283 3.256 50 30 EGEARN CCN(Cc1ccc(C)o1)C(=O)c1ccc(C#CC(C)(C)O)cc1 ZINC000065529452 454585020 /nfs/dbraw/zinc/58/50/20/454585020.db2.gz XFUZAEKHSBLOFO-UHFFFAOYSA-N 0 0 325.408 3.373 50 30 EGEARN C=C(C)COc1c(CN[C@@H](C)c2ncnn2CC)cccc1OC ZINC000055109084 518611090 /nfs/dbraw/zinc/61/10/90/518611090.db2.gz BEPCHNFSIWZVQK-AWEZNQCLSA-N 0 0 330.432 3.112 50 30 EGEARN C=CCc1c(C)nc(SCC(=O)Nc2ccc(Cl)cc2)[nH]c1=O ZINC000018250787 519122266 /nfs/dbraw/zinc/12/22/66/519122266.db2.gz BWNHCACLHXWODD-UHFFFAOYSA-N 0 0 349.843 3.191 50 30 EGEARN C=CCn1c(SCc2cccc(F)c2)nnc1-c1cnccn1 ZINC000000352132 519243746 /nfs/dbraw/zinc/24/37/46/519243746.db2.gz PMTUBPJLRHSJLI-UHFFFAOYSA-N 0 0 327.388 3.353 50 30 EGEARN C=CCn1cc(CN(C)Cc2nccn2Cc2ccccc2)c(C)n1 ZINC000055404981 519277184 /nfs/dbraw/zinc/27/71/84/519277184.db2.gz JUNXTQULDDVTGA-UHFFFAOYSA-N 0 0 335.455 3.254 50 30 EGEARN CCCCCCCCCCC[C@@H](O)CC(=O)N[C@H]1CCOC1=O ZINC000038146041 520017313 /nfs/dbraw/zinc/01/73/13/520017313.db2.gz IKQUESGRCDRZTI-CVEARBPZSA-N 0 0 327.465 3.090 50 30 EGEARN COc1cc(/C=N/N=C2C(=O)Nc3ccccc32)ccc1OC(C)C ZINC000334160703 521987741 /nfs/dbraw/zinc/98/77/41/521987741.db2.gz KMYBFUJFIRLICR-RGVLZGJSSA-N 0 0 337.379 3.258 50 30 EGEARN COc1ccc(NC(=O)[C@@H](C#N)Cc2ccc(OC)c(OC)c2)cc1 ZINC000000237200 524581933 /nfs/dbraw/zinc/58/19/33/524581933.db2.gz HLZIVGHFLFRXDE-CQSZACIVSA-N 0 0 340.379 3.033 50 30 EGEARN C[C@@H]1S/C(=N/N=C/c2ccccc2OCc2ccccc2)NC1=O ZINC000016676895 525621049 /nfs/dbraw/zinc/62/10/49/525621049.db2.gz SJXSDQHWOJJJBO-MDBUFAAASA-N 0 0 339.420 3.207 50 30 EGEARN Cn1cc(C[C@@H](C#N)C(=O)NCCc2ccccc2)c2ccccc21 ZINC000044918023 527229619 /nfs/dbraw/zinc/22/96/19/527229619.db2.gz WCVZZCOXAMUPTR-KRWDZBQOSA-N 0 0 331.419 3.219 50 30 EGEARN COc1ccc(C=C2SC(=NNc3ccccc3)NC2=O)cc1 ZINC000016133874 1291167639 /nfs/dbraw/zinc/16/76/39/1291167639.db2.gz PSMDJNCMRPPLKM-RVDMUPIBSA-N 0 0 325.393 3.282 50 30 EGEARN O=C(CC1=C(c2ccccc2)CCC1=O)N1CCC(c2cc[nH]n2)CC1 ZINC000952974107 1334627939 /nfs/dbraw/zinc/62/79/39/1334627939.db2.gz SRSLOBLSHHMQAN-UHFFFAOYSA-N 0 0 349.434 3.323 50 30 EGEARN CCOc1ccc(S(=O)(=O)Nc2cccc(F)c2C)cc1C#N ZINC000004727658 210261552 /nfs/dbraw/zinc/26/15/52/210261552.db2.gz MDPIUQAGDYQKHX-UHFFFAOYSA-N 0 0 334.372 3.205 50 30 EGEARN C=CC[C@@H]1CC=C[C@@H](c2ccccc2)N1C(=O)c1ccc2nnnn2c1 ZINC000055211773 214289695 /nfs/dbraw/zinc/28/96/95/214289695.db2.gz BWVCNVHNSPOVKK-MSOLQXFVSA-N 0 0 345.406 3.212 50 30 EGEARN CCOc1ccc2c(c1)s/c(=N\N=C\c1ccccc1O)n2C ZINC000004662882 210239488 /nfs/dbraw/zinc/23/94/88/210239488.db2.gz XCCPCOFAMXQDQK-ONMBGNKZSA-N 0 0 327.409 3.279 50 30 EGEARN CCCCCCCNC(=O)CCC(=O)NCCCOCCCC ZINC000098045166 219073297 /nfs/dbraw/zinc/07/32/97/219073297.db2.gz KHBVRVCHIXQEOM-UHFFFAOYSA-N 0 0 328.497 3.176 50 30 EGEARN CC(=O)C(=CNc1ccc(C)cc1)S(=O)(=O)c1ccccc1F ZINC000100026192 219088802 /nfs/dbraw/zinc/08/88/02/219088802.db2.gz NDYHPXFILVVELJ-BOPFTXTBSA-N 0 0 333.384 3.450 50 30 EGEARN CNc1nc2c(C)cccn2c(=O)c1/C=N/c1ccc(Cl)cc1 ZINC000100816377 219108069 /nfs/dbraw/zinc/10/80/69/219108069.db2.gz ZIPPFLDNILMOTF-KEBDBYFISA-N 0 0 326.787 3.449 50 30 EGEARN N/C(=N\O)c1ccc(OCc2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000004394661 210187666 /nfs/dbraw/zinc/18/76/66/210187666.db2.gz KMGSDAJKJIJZET-UHFFFAOYSA-N 0 0 345.708 3.427 50 30 EGEARN Cc1ccc(NC(=O)[C@@H]2CCCN2/C=C/C(=O)C(F)(F)F)c(C)c1 ZINC000004119706 210125574 /nfs/dbraw/zinc/12/55/74/210125574.db2.gz HOHCGXPTTVVPDD-KGXGESDWSA-N 0 0 340.345 3.351 50 30 EGEARN C=CCOc1ccc2c(C)cc(=O)oc2c1I ZINC000002950284 209944619 /nfs/dbraw/zinc/94/46/19/209944619.db2.gz XPDBCEVMYJNAMN-UHFFFAOYSA-N 0 0 342.132 3.271 50 30 EGEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1O ZINC000003071509 290922085 /nfs/dbraw/zinc/92/20/85/290922085.db2.gz IWRKYKIZMKEBJK-QGZVFWFLSA-N 0 0 341.407 3.169 50 30 EGEARN COc1ccccc1C(=O)ON1C(=O)c2cccc3cccc(c32)C1=O ZINC000000620274 209683670 /nfs/dbraw/zinc/68/36/70/209683670.db2.gz DAYNBSWZBICCIC-UHFFFAOYSA-N 0 0 347.326 3.216 50 30 EGEARN N#Cc1nc(COc2cccc(Cl)c2)oc1NC[C@H]1CCCO1 ZINC000000539561 209655581 /nfs/dbraw/zinc/65/55/81/209655581.db2.gz GRBJORXBTVSGTL-CYBMUJFWSA-N 0 0 333.775 3.370 50 30 EGEARN N#Cc1ccc(/C=N/c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 ZINC000000358287 209548508 /nfs/dbraw/zinc/54/85/08/209548508.db2.gz CAMALQVKZUHAEK-XSFVSMFZSA-N 0 0 339.420 3.093 50 30 EGEARN NC1=C(c2nc3ccccc3s2)C(=O)CN1c1ccccc1F ZINC000000132158 209440546 /nfs/dbraw/zinc/44/05/46/209440546.db2.gz STQVUUWOQYVEOK-UHFFFAOYSA-N 0 0 325.368 3.152 50 30 EGEARN Cc1nnc(NC(=O)CN2CCC(Cc3ccccc3)CC2)s1 ZINC000020427216 212128329 /nfs/dbraw/zinc/12/83/29/212128329.db2.gz FMCDZNIZTPMBIU-UHFFFAOYSA-N 0 0 330.457 3.389 50 30 EGEARN COc1ccc(OC2CCN(C(=O)c3cccc(C#N)c3)CC2)cc1 ZINC000049706185 214029146 /nfs/dbraw/zinc/02/91/46/214029146.db2.gz INSYDZMDASKKJP-UHFFFAOYSA-N 0 0 336.391 3.250 50 30 EGEARN N#Cc1cc(F)ccc1NC(=O)[C@@H]1CC(=O)Nc2nc3ccccc3n21 ZINC000085556119 217676491 /nfs/dbraw/zinc/67/64/91/217676491.db2.gz CTDNDAFASHHEAQ-HNNXBMFYSA-N 0 0 349.325 3.219 50 30 EGEARN CCOC(=O)c1noc(C)c1CSc1nc(C)cc(C)c1C#N ZINC000013641040 211596991 /nfs/dbraw/zinc/59/69/91/211596991.db2.gz SFQXHGLLDKPYID-UHFFFAOYSA-N 0 0 331.397 3.336 50 30 EGEARN CC#CC(=O)N1CCC(Cc2ccc(Cl)cc2)(C(=O)OCC)CC1 ZINC000012072466 211286745 /nfs/dbraw/zinc/28/67/45/211286745.db2.gz LLTDBMOXIUBEQL-UHFFFAOYSA-N 0 0 347.842 3.078 50 30 EGEARN CC(C)CCN1C[C@]2(CCCN(c3cc(C#N)ccn3)C2)CCC1=O ZINC000091644449 218037565 /nfs/dbraw/zinc/03/75/65/218037565.db2.gz FMKGAJLKUNULCB-HXUWFJFHSA-N 0 0 340.471 3.208 50 30 EGEARN C=CC[C@]1(CO)CCCN(C(=O)c2ccc(N3CCCC3)cc2)C1 ZINC000092076854 218116472 /nfs/dbraw/zinc/11/64/72/218116472.db2.gz PJROKHTYJKRQIJ-FQEVSTJZSA-N 0 0 328.456 3.078 50 30 EGEARN CCO/C(CC)=N/n1c(CC)nc2c3cccnc3sc2c1=O ZINC000009482584 211090427 /nfs/dbraw/zinc/09/04/27/211090427.db2.gz FVGHEQKRWVXZBD-XDHOZWIPSA-N 0 0 330.413 3.177 50 30 EGEARN C#CCOc1ccc(-c2nc(-c3ccc(OC)c(OC)c3)no2)cc1 ZINC000008570563 210966672 /nfs/dbraw/zinc/96/66/72/210966672.db2.gz KMZIJGOAKXUYJB-UHFFFAOYSA-N 0 0 336.347 3.433 50 30 EGEARN C=CCOc1ccc(/C=C2/NC(=S)N(CCCC)C2=O)cc1OC ZINC000005825119 210544328 /nfs/dbraw/zinc/54/43/28/210544328.db2.gz QWNWCRXQNLAASF-SDNWHVSQSA-N 0 0 346.452 3.118 50 30 EGEARN CC(=NNc1ccc([N+](=O)[O-])cc1)c1ccc(-n2nncc2C)cc1 ZINC000005073585 210384366 /nfs/dbraw/zinc/38/43/66/210384366.db2.gz KGLXOHXLIZALSS-CPNJWEJPSA-N 0 0 336.355 3.320 50 30 EGEARN O=[N+]([O-])c1cc2c(cc1C=NNc1cccc3cccnc31)OCO2 ZINC000005008854 210360887 /nfs/dbraw/zinc/36/08/87/210360887.db2.gz FYPOYFYBLQWHIS-DJKKODMXSA-N 0 0 336.307 3.318 50 30 EGEARN C=CCN1c2ccccc2[C@@](O)(CC(=O)c2ccccc2Cl)C1=O ZINC000004784391 210277497 /nfs/dbraw/zinc/27/74/97/210277497.db2.gz RQUKJOBHUCXPFK-IBGZPJMESA-N 0 0 341.794 3.333 50 30 EGEARN C/C(=C\[C@@H]1CC(C)=CC(=O)O1)CCC[C@](C)(O)C1=CC(=O)C(C)(C)O1 ZINC000205972582 257950914 /nfs/dbraw/zinc/95/09/14/257950914.db2.gz BNEONHJMPXMLIV-TWSSUNLLSA-N 0 0 348.439 3.378 50 30 biogenic EGEARN C=CCNC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccc(F)cc1 ZINC000012380912 258017628 /nfs/dbraw/zinc/01/76/28/258017628.db2.gz BNWJEHCBABPUGY-ZDUSSCGKSA-N 0 0 342.370 3.148 50 30 EGEARN COc1cccc2c(C[C@H](C#N)C(=O)NCCc3ccccc3)c[nH]c21 ZINC000040288039 258059637 /nfs/dbraw/zinc/05/96/37/258059637.db2.gz RJNPKQSBAMPCHW-MRXNPFEDSA-N 0 0 347.418 3.218 50 30 EGEARN N#Cc1ccc(N2CCC[C@@](CO)(CCOc3ccccc3)C2)nc1 ZINC000067756650 132812825 /nfs/dbraw/zinc/81/28/25/132812825.db2.gz FPJMPTRUAJOFBP-HXUWFJFHSA-N 0 0 337.423 3.001 50 30 EGEARN C=CCn1c(SC)nc2sc3c(c2c1=O)C[C@@H](C(C)C)OC3 ZINC000000519873 275435221 /nfs/dbraw/zinc/43/52/21/275435221.db2.gz MODQMRGIDRRSDR-NSHDSACASA-N 0 0 336.482 3.463 50 30 EGEARN C=CCn1c2sc(C)c(CC)c2c2nc(-c3ccco3)nn2c1=O ZINC000032100627 275435468 /nfs/dbraw/zinc/43/54/68/275435468.db2.gz CRJWQYUCOSEPMR-UHFFFAOYSA-N 0 0 340.408 3.423 50 30 EGEARN COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=Cc2ccco2)C1=O ZINC000004514233 277310757 /nfs/dbraw/zinc/31/07/57/277310757.db2.gz BQORMLCCUMLUEI-XNTDXEJSSA-N 0 0 327.311 3.296 50 30 EGEARN COc1cc(OC)c(OC)cc1/C=C1\Oc2cc(O)ccc2C1=O ZINC000000025569 452491790 /nfs/dbraw/zinc/49/17/90/452491790.db2.gz DQTMJIUNXVVYJR-IDUWFGFVSA-N 0 0 328.320 3.034 50 30 biogenic EGEARN CC(=O)C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccccc1Cl ZINC000000034824 452494169 /nfs/dbraw/zinc/49/41/69/452494169.db2.gz LLWWBZYVOKZLTM-OAHLLOKOSA-N 0 0 331.755 3.418 50 30 EGEARN N#Cc1cc(F)c(N2CCN(C(=O)c3cccs3)CC2)cc1Cl ZINC000000092900 452503978 /nfs/dbraw/zinc/50/39/78/452503978.db2.gz FYWHOGNIYYPQON-UHFFFAOYSA-N 0 0 349.818 3.375 50 30 EGEARN CCOc1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3ncnn32)cc1 ZINC000000112856 452510940 /nfs/dbraw/zinc/51/09/40/452510940.db2.gz PENKCJKEHOMKIA-KRWDZBQOSA-N 0 0 338.411 3.335 50 30 EGEARN N#Cc1cccc(NC(=O)CCCC(=O)Nc2cccc(C#N)c2)c1 ZINC000000142595 452518933 /nfs/dbraw/zinc/51/89/33/452518933.db2.gz IQEMAWULKVFTRG-UHFFFAOYSA-N 0 0 332.363 3.177 50 30 EGEARN C=CCN1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2(C)c2ccccc21 ZINC000000233534 452544275 /nfs/dbraw/zinc/54/42/75/452544275.db2.gz YITKMVZUCLEHOZ-DBAFAGGRSA-N 0 0 329.399 3.239 50 30 EGEARN C=CCN1c2ccccc2[C@](O)(CC(=O)c2ccc(C)cc2C)C1=O ZINC000000299846 452557417 /nfs/dbraw/zinc/55/74/17/452557417.db2.gz DHMKVZXCKRATBD-OAQYLSRUSA-N 0 0 335.403 3.297 50 30 EGEARN CNc1nc2ccccc2n1/N=C/c1cc(Br)ccc1O ZINC000000348296 452568139 /nfs/dbraw/zinc/56/81/39/452568139.db2.gz OXWPSOQHYWQHSY-GIJQJNRQSA-N 0 0 345.200 3.428 50 30 EGEARN C=C1[C@@H](C(=O)Nc2ccccc2F)[C@@H]1C(=O)Nc1ccccc1F ZINC000000350429 452568631 /nfs/dbraw/zinc/56/86/31/452568631.db2.gz MGKPWIQRHNFDDV-HZPDHXFCSA-N 0 0 328.318 3.344 50 30 EGEARN COc1ccc(/C=N/N2CCOCC2)cc1COc1ccc(F)cc1 ZINC000000443141 452592936 /nfs/dbraw/zinc/59/29/36/452592936.db2.gz UKYKKVDMGUHITH-FYJGNVAPSA-N 0 0 344.386 3.079 50 30 EGEARN COC(=O)c1sc(NC(=O)c2cccnc2Cl)c(C#N)c1C ZINC000000484064 452605231 /nfs/dbraw/zinc/60/52/31/452605231.db2.gz RMIIETLBYMURPJ-UHFFFAOYSA-N 0 0 335.772 3.016 50 30 EGEARN COc1ccc(/C=N/n2c(C)nc3c4ccccc4[nH]c3c2=O)cc1 ZINC000000499517 452608571 /nfs/dbraw/zinc/60/85/71/452608571.db2.gz PDMHLRFSQVDZJW-RGVLZGJSSA-N 0 0 332.363 3.077 50 30 EGEARN C=C1CN=C(N(Cc2ccccc2)S(=O)(=O)c2ccccc2)S1 ZINC000001079329 452644150 /nfs/dbraw/zinc/64/41/50/452644150.db2.gz XXEJGXJSIUWRKP-UHFFFAOYSA-N 0 0 344.461 3.494 50 30 EGEARN Oc1ccc(C=NN2C(=S)N=NC2c2ccc(Cl)cc2)cc1 ZINC000001305817 452653373 /nfs/dbraw/zinc/65/33/73/452653373.db2.gz NENRBIJBQMFWHH-RQZCQDPDSA-N 0 0 330.800 3.475 50 30 EGEARN C=C(C)Cn1c(C)cc(C)c(S(=O)(=O)c2ccc(C)cc2)c1=O ZINC000001397527 452660639 /nfs/dbraw/zinc/66/06/39/452660639.db2.gz VSOZBRCUSSEVMA-UHFFFAOYSA-N 0 0 331.437 3.182 50 30 EGEARN O=C1C[C@@H](c2cc(Br)ccc2F)C2=C(CCCC2=O)N1 ZINC000001430818 452665649 /nfs/dbraw/zinc/66/56/49/452665649.db2.gz QQWPKJLOVPEESH-JTQLQIEISA-N 0 0 338.176 3.199 50 30 EGEARN COc1ccc2ccccc2c1[C@H]1NC(=S)NC(C)=C1C(C)=O ZINC000002475973 452699566 /nfs/dbraw/zinc/69/95/66/452699566.db2.gz NLSCWBJYYSFMBG-KRWDZBQOSA-N 0 0 326.421 3.230 50 30 EGEARN C=CCSc1nc(-c2ccc(OC)cc2)c(C#N)c(=O)n1CC=C ZINC000002495381 452700163 /nfs/dbraw/zinc/70/01/63/452700163.db2.gz QXOGUJBLFGTMLN-UHFFFAOYSA-N 0 0 339.420 3.255 50 30 EGEARN C#CCOc1ccc(/C=C2\SC(=O)N(CC#C)C2=O)cc1Cl ZINC000002813835 452727627 /nfs/dbraw/zinc/72/76/27/452727627.db2.gz VBPPVVCEUKLMEY-UVTDQMKNSA-N 0 0 331.780 3.022 50 30 EGEARN COc1ccc(/C=C/C(=O)c2sc(NC(N)=S)nc2C)cc1 ZINC000006200992 452925396 /nfs/dbraw/zinc/92/53/96/452925396.db2.gz ZRGMYZFFTQRGQC-VMPITWQZSA-N 0 0 333.438 3.012 50 30 EGEARN O=C(C1=C(O)C(=O)N[C@H]1c1ccccc1F)c1ccc(Cl)cc1 ZINC000006493934 452946841 /nfs/dbraw/zinc/94/68/41/452946841.db2.gz WEOCIKMGOOZREO-AWEZNQCLSA-N 0 0 331.730 3.345 50 30 EGEARN C=CCN(CC=C)Cc1c(C)[nH]c2ccc(C(=O)OC)cc2c1=O ZINC000008714051 453225566 /nfs/dbraw/zinc/22/55/66/453225566.db2.gz HPBKJBOTMCGNEI-UHFFFAOYSA-N 0 0 326.396 3.209 50 30 EGEARN CCCSc1nc(N2CCOCC2)c2c(c1C#N)CC(C)(C)OC2 ZINC000013739225 453485589 /nfs/dbraw/zinc/48/55/89/453485589.db2.gz SCKOWDRIXYLESA-UHFFFAOYSA-N 0 0 347.484 3.143 50 30 EGEARN C=CCn1c(SCC(=O)OC)nnc1-c1csc(CCC)c1 ZINC000017070942 453627956 /nfs/dbraw/zinc/62/79/56/453627956.db2.gz MHRQHFFYAOGTKV-UHFFFAOYSA-N 0 0 337.470 3.410 50 30 EGEARN CCOC(=O)C1=C(Cc2ccc(C)cc2)C(=O)c2ccccc2C1=O ZINC000017858864 453639093 /nfs/dbraw/zinc/63/90/93/453639093.db2.gz BPOJTSJPTIZJSW-UHFFFAOYSA-N 0 0 334.371 3.476 50 30 EGEARN N=C(NOC(=O)C=Cc1ccccc1)c1ccc(Br)cc1 ZINC000018172992 453645847 /nfs/dbraw/zinc/64/58/47/453645847.db2.gz BJBNWVXOGJHRLV-IZZDOVSWSA-N 0 0 345.196 3.326 50 30 EGEARN O=C1C[C@@H](c2ccccc2)CC2=Nc3nnnn3[C@@H](c3ccccc3)C12 ZINC000018200747 453647650 /nfs/dbraw/zinc/64/76/50/453647650.db2.gz VZSJHKCKKLCYOC-KXBFYZLASA-N 0 0 343.390 3.089 50 30 EGEARN Cc1cc2oc(=O)cc(C)c2cc1NC(=O)C1=CC(=O)CC(C)(C)O1 ZINC000055211875 453969801 /nfs/dbraw/zinc/96/98/01/453969801.db2.gz WPWZWMUENSGEFT-UHFFFAOYSA-N 0 0 341.363 3.000 50 30 EGEARN C=CCn1c(-c2ccccc2)cnc1SCC(=O)N1CCCC1 ZINC000044085661 454088266 /nfs/dbraw/zinc/08/82/66/454088266.db2.gz AQNXCEYMVWKSIL-UHFFFAOYSA-N 0 0 327.453 3.451 50 30 EGEARN N#Cc1cccc(-c2nc([C@@H]3CC(=O)N(c4cccc(F)c4)C3)no2)c1 ZINC000044213957 454092223 /nfs/dbraw/zinc/09/22/23/454092223.db2.gz JKEFWHNRFAUVSU-CQSZACIVSA-N 0 0 348.337 3.268 50 30 EGEARN COc1cccc(NC(=O)[C@H](C#N)Cc2cc(OC)ccc2OC)c1 ZINC000057525142 454134845 /nfs/dbraw/zinc/13/48/45/454134845.db2.gz IRJOUSKROFWFSR-AWEZNQCLSA-N 0 0 340.379 3.033 50 30 EGEARN O=C(NCC#CCN1CCc2ccccc2C1)c1ccccc1Cl ZINC000070641599 454170071 /nfs/dbraw/zinc/17/00/71/454170071.db2.gz DCDVTNYUEDAXGZ-UHFFFAOYSA-N 0 0 338.838 3.132 50 30 EGEARN N#Cc1ccc(C(=O)NCCCn2ncc3c2cccc3Cl)cc1 ZINC000071196080 454202545 /nfs/dbraw/zinc/20/25/45/454202545.db2.gz NTWVBCLHTXUAFD-UHFFFAOYSA-N 0 0 338.798 3.381 50 30 EGEARN Cc1cc(NCCO)nc(NCc2ccc(OC(C)C)cc2)c1C#N ZINC000071279611 454203811 /nfs/dbraw/zinc/20/38/11/454203811.db2.gz YXAFZQVLOIDPFS-UHFFFAOYSA-N 0 0 340.427 3.065 50 30 EGEARN COc1cc2c(cc1OC)C(=O)/C(=C\c1sc(N(C)C)nc1C)C2 ZINC000095472243 454218953 /nfs/dbraw/zinc/21/89/53/454218953.db2.gz ABUYWFQPHSGGMK-WQLSENKSSA-N 0 0 344.436 3.357 50 30 EGEARN COc1ccc2[nH]cc(C[C@@H](C#N)C(=O)Nc3cccc(O)c3)c2c1 ZINC000061719561 454352734 /nfs/dbraw/zinc/35/27/34/454352734.db2.gz HLOYHKCBDPDUHJ-LBPRGKRZSA-N 0 0 335.363 3.203 50 30 EGEARN N#Cc1cccc(-c2cn([C@H](CO)Cc3ccc(Cl)cc3)nn2)c1 ZINC000091321817 454427437 /nfs/dbraw/zinc/42/74/37/454427437.db2.gz VTAUKPMOTQCTDC-KRWDZBQOSA-N 0 0 338.798 3.246 50 30 EGEARN C[C@H]1C[C@H]2[C@@H]3CC[C@](C)(O)[C@]3(C)C[C@@H](O)[C@@H]2[C@]2(C)CCC(=O)C=C12 ZINC000257357101 455897968 /nfs/dbraw/zinc/89/79/68/455897968.db2.gz LZRQDFQQYIQZLG-ZTMNUAMUSA-N 0 0 332.484 3.486 50 30 EGEARN Cc1cc(C(=O)Nc2c3c(nn2C)CCC3)c2cnn(C(C)C)c2n1 ZINC000329222060 456856308 /nfs/dbraw/zinc/85/63/08/456856308.db2.gz VSZHTEVIQHQRMD-UHFFFAOYSA-N 0 0 338.415 3.179 50 30 EGEARN Cc1cc(C(=O)Nc2ncc(C#N)s2)c2c(n1)onc2C(C)C ZINC000585136593 459829205 /nfs/dbraw/zinc/82/92/05/459829205.db2.gz MDVIBZKTSASVCI-UHFFFAOYSA-N 0 0 327.369 3.235 50 30 EGEARN CCCCCCCCNC(=O)c1c(C)c(C)sc1-n1cnnn1 ZINC000604419373 460424764 /nfs/dbraw/zinc/42/47/64/460424764.db2.gz ZHKPPYWVYUMPTC-UHFFFAOYSA-N 0 0 335.477 3.431 50 30 EGEARN C=CCN1C[C@H](C(=O)N(CCCC)Cc2ccsc2)CCC1=O ZINC000055413411 518872166 /nfs/dbraw/zinc/87/21/66/518872166.db2.gz DCQLHYMLOZRXIA-MRXNPFEDSA-N 0 0 334.485 3.301 50 30 EGEARN C=CCc1ccccc1OCCn1c(CCNC=O)nc2ccccc21 ZINC000004810418 519144419 /nfs/dbraw/zinc/14/44/19/519144419.db2.gz LCOZHTYEEADREU-UHFFFAOYSA-N 0 0 349.434 3.132 50 30 EGEARN COc1ccc(/C=C/C(=O)c2cc(OC)c(OC)c(OC)c2)cc1O ZINC000006582608 523400070 /nfs/dbraw/zinc/40/00/70/523400070.db2.gz IKMOZUDCUBMIRL-FNORWQNLSA-N 0 0 344.363 3.323 50 30 EGEARN CCc1ccc(OCC(=O)ONC(=N)c2ccc(Cl)cc2)cc1 ZINC000004690044 524005410 /nfs/dbraw/zinc/00/54/10/524005410.db2.gz OKVBRAUMOHRUKM-UHFFFAOYSA-N 0 0 332.787 3.145 50 30 EGEARN O=[N+]([O-])c1ccc(N=NCc2c[nH]c3ccccc23)c([N+](=O)[O-])c1 ZINC000055441172 1291782181 /nfs/dbraw/zinc/78/21/81/1291782181.db2.gz MUTZZELKZCVYEZ-MFOYZWKCSA-N 0 0 325.284 3.430 50 30 EGEARN C=CCSc1nc2c(c(=O)[nH]1)[C@H](c1c(F)cccc1F)CC(=O)N2 ZINC000820497028 1319899167 /nfs/dbraw/zinc/89/91/67/1319899167.db2.gz XZIDTAPMZNSLAQ-QMMMGPOBSA-N 0 0 349.362 3.213 50 30 EGEARN CCOP(=O)(OCC)c1cn(-c2ccc(C)cc2)c(C#N)c1N ZINC000823346989 1320171891 /nfs/dbraw/zinc/17/18/91/1320171891.db2.gz XQFOBDAOMVWARZ-UHFFFAOYSA-N 0 0 333.328 3.131 50 30 EGEARN CCOc1ccc(CN2CCCn3nc(C#N)cc3C2)cc1Cl ZINC000823383218 1320173400 /nfs/dbraw/zinc/17/34/00/1320173400.db2.gz HKVGGOITNBDFPY-UHFFFAOYSA-N 0 0 330.819 3.213 50 30 EGEARN OCC#Cc1ccc(CN2CCOc3ccc(Cl)cc3C2)s1 ZINC000952986325 1334630356 /nfs/dbraw/zinc/63/03/56/1334630356.db2.gz GVWFJICCNKDEGC-UHFFFAOYSA-N 0 0 333.840 3.140 50 30 EGEARN CC(C)(O)C#Cc1ccc(C(=O)NCc2ccc(F)cc2Cl)o1 ZINC000952988153 1334631467 /nfs/dbraw/zinc/63/14/67/1334631467.db2.gz OJYYFXIXANTILB-UHFFFAOYSA-N 0 0 335.762 3.125 50 30 EGEARN C=C(C)COc1ccc(C(=O)N2CCCC[C@@H]2C(=O)OCC)cc1 ZINC000055155018 214279937 /nfs/dbraw/zinc/27/99/37/214279937.db2.gz OLKVEPAEVJBIOV-QGZVFWFLSA-N 0 0 331.412 3.199 50 30 EGEARN COc1ccc(C=Nc2cccc3c(=O)[nH][n-]c(=O)c23)c2ccccc12 ZINC000100006801 219088273 /nfs/dbraw/zinc/08/82/73/219088273.db2.gz RWHSKYOYQJWJBT-SRZZPIQSSA-N 0 0 345.358 3.129 50 30 EGEARN O=C1C[C@@H](c2cccc(O)c2)C2=C(C[C@H](c3cccs3)CC2=O)N1 ZINC000004520709 210212419 /nfs/dbraw/zinc/21/24/19/210212419.db2.gz POCQRVFBQCBVFQ-JSGCOSHPSA-N 0 0 339.416 3.458 50 30 EGEARN COc1ccc(NC=C(C(C)=O)C(=O)Nc2ccccc2)cc1OC ZINC000100309737 219096901 /nfs/dbraw/zinc/09/69/01/219096901.db2.gz JTLFNCMZLLVERU-FOWTUZBSSA-N 0 0 340.379 3.227 50 30 EGEARN COc1ccccc1/N=C1\SCC(=O)N1c1ccccc1OC ZINC000100494344 219100601 /nfs/dbraw/zinc/10/06/01/219100601.db2.gz KKOMQAZHAUIUQO-ZCXUNETKSA-N 0 0 328.393 3.471 50 30 EGEARN C[C@H](Oc1cccc(Cl)c1)c1ccnc2nc(/N=C/N(C)C)nn21 ZINC000100554935 219101873 /nfs/dbraw/zinc/10/18/73/219101873.db2.gz QCIDABMIGABSSL-VSMYLPJWSA-N 0 0 344.806 3.139 50 30 EGEARN C[C@@](O)(C#C[C@@](O)(c1ccccc1)C(F)(F)F)c1ccccc1F ZINC000004334542 210172803 /nfs/dbraw/zinc/17/28/03/210172803.db2.gz YZRQUFKFGIXVJU-IAGOWNOFSA-N 0 0 338.300 3.487 50 30 EGEARN N#Cc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCCCC3)cc1 ZINC000004176864 210140108 /nfs/dbraw/zinc/14/01/08/210140108.db2.gz GKCFDUXRUVGJOL-UHFFFAOYSA-N 0 0 339.420 3.240 50 30 EGEARN O=[N+]([O-])c1cccc(C=NN2C(=S)N=NC2c2cccs2)c1 ZINC000004050369 210108019 /nfs/dbraw/zinc/10/80/19/210108019.db2.gz TZATXLFKOOWMKD-RIYZIHGNSA-N 0 0 331.382 3.086 50 30 EGEARN COc1ccc(-c2nc(N)c(C#N)c(-c3ccc(CO)o3)c2C)cc1 ZINC000067642789 215171861 /nfs/dbraw/zinc/17/18/61/215171861.db2.gz VSTMUFXGBMZBPY-UHFFFAOYSA-N 0 0 335.363 3.272 50 30 EGEARN N#CCOc1ccc2c(c1)occ(-c1ccc3c(c1)OCCO3)c2=O ZINC000002407695 209847353 /nfs/dbraw/zinc/84/73/53/209847353.db2.gz HCOPPQBEOPYJNS-UHFFFAOYSA-N 0 0 335.315 3.134 50 30 biogenic EGEARN COc1cccc(/C=N/n2c(SC)nnc2-c2ccccc2)c1O ZINC000000434918 209599165 /nfs/dbraw/zinc/59/91/65/209599165.db2.gz XCISAXFAJRYOEW-WOJGMQOQSA-N 0 0 340.408 3.263 50 30 EGEARN COc1cc(OC)c(OC)cc1/C=N/N1C(=O)C[C@H]1c1ccccc1 ZINC000071281516 215751997 /nfs/dbraw/zinc/75/19/97/215751997.db2.gz DHVWVZSFPIBYAN-SLDJAQPHSA-N 0 0 340.379 3.020 50 30 EGEARN COc1ccc(C(=O)/C=C/c2cc3c(c(OC)c2OC)OCO3)cc1 ZINC000035324867 213021717 /nfs/dbraw/zinc/02/17/17/213021717.db2.gz QCXZLGNGYHBCCT-RMKNXTFCSA-N 0 0 342.347 3.337 50 30 EGEARN CCCC(=O)N1CCc2nc(N)c(C#N)c(-c3cccc(F)c3)c2C1 ZINC000072122573 216015232 /nfs/dbraw/zinc/01/52/32/216015232.db2.gz HXLVHIPKWOMWAD-UHFFFAOYSA-N 0 0 338.386 3.026 50 30 EGEARN CC(=O)C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@H]1c1ccc(C(C)C)cc1 ZINC000000096598 209418011 /nfs/dbraw/zinc/41/80/11/209418011.db2.gz NYGOHHRVPKTXKW-AEFFLSMTSA-N 0 0 343.423 3.273 50 30 EGEARN Cc1nc([C@H]2CCCN(c3cccc(C#N)n3)C2)cc(N2CCCC2)n1 ZINC000072477319 216255636 /nfs/dbraw/zinc/25/56/36/216255636.db2.gz ZTPXBUFTBISHHG-INIZCTEOSA-N 0 0 348.454 3.036 50 30 EGEARN N#Cc1cccc(C(=O)NC[C@H]2CCCN2c2nc3ccccc3o2)c1 ZINC000206770769 241051224 /nfs/dbraw/zinc/05/12/24/241051224.db2.gz JBCFYKZWOKNFAV-MRXNPFEDSA-N 0 0 346.390 3.098 50 30 EGEARN C[C@H](c1cc(-c2ccccc2)n[nH]1)N(C)C(=O)c1cc(C#N)cn1C ZINC000215513067 241127722 /nfs/dbraw/zinc/12/77/22/241127722.db2.gz RCWHURMEZQWAMP-CYBMUJFWSA-N 0 0 333.395 3.120 50 30 EGEARN N#Cc1ccc(CN2CCN(C(=O)c3ccccc3)CC2)c(Cl)c1 ZINC000020533445 212144674 /nfs/dbraw/zinc/14/46/74/212144674.db2.gz LBPXWCGVFLGMMF-UHFFFAOYSA-N 0 0 339.826 3.170 50 30 EGEARN Cc1nc(C(=O)Nc2ccccc2C#N)nn1-c1cccc(Cl)c1 ZINC000252491837 243797967 /nfs/dbraw/zinc/79/79/67/243797967.db2.gz LWFUFNQVXDSKSU-UHFFFAOYSA-N 0 0 337.770 3.353 50 30 EGEARN N#Cc1c(N)c(C#N)c(/C=C/c2ccccc2)nc1Br ZINC000078549754 217072813 /nfs/dbraw/zinc/07/28/13/217072813.db2.gz CSMBLBFDWCQVJS-VOTSOKGWSA-N 0 0 325.169 3.340 50 30 EGEARN CC1(C)Cc2c(C#N)c(SCCC#N)nc(N3CCCC3)c2CO1 ZINC000013773651 211635998 /nfs/dbraw/zinc/63/59/98/211635998.db2.gz PLJUSUPJVTXJBK-UHFFFAOYSA-N 0 0 342.468 3.411 50 30 EGEARN CC(C)n1ncc([C@H](C#N)c2nc3ccccc3n2C)c(Cl)c1=O ZINC000009059776 211036569 /nfs/dbraw/zinc/03/65/69/211036569.db2.gz INKHCGRDKNHZGZ-NSHDSACASA-N 0 0 341.802 3.020 50 30 EGEARN C/C(=N\OC(=O)N(C)C)c1ncc(C(F)(F)F)cc1N1CCCC1 ZINC000008781852 211005975 /nfs/dbraw/zinc/00/59/75/211005975.db2.gz HLSNVXOKIOZENK-KEBDBYFISA-N 0 0 344.337 3.123 50 30 EGEARN COc1ccc(C=NN2C(=S)N=NC2c2ccc(F)cc2)cc1 ZINC000005910696 210557829 /nfs/dbraw/zinc/55/78/29/210557829.db2.gz GCECKELRCHZVGS-VCHYOVAHSA-N 0 0 328.372 3.264 50 30 EGEARN C=CCOc1ccc(CNc2ccc3[nH]c(=O)[nH]c3c2)cc1OC ZINC000005126840 210394751 /nfs/dbraw/zinc/39/47/51/210394751.db2.gz BEUXBRNVYUCXHM-UHFFFAOYSA-N 0 0 325.368 3.042 50 30 EGEARN COc1ccc(CN2C(=O)[C@H](C)S/C2=N/N=C/c2ccco2)cc1 ZINC000004955821 210339665 /nfs/dbraw/zinc/33/96/65/210339665.db2.gz PIDCDZDAANTFJH-WCWRRMQUSA-N 0 0 343.408 3.142 50 30 EGEARN C=CCNC(=O)c1ccccc1OCC(=O)Nc1c(C)cccc1C ZINC000004841514 210295876 /nfs/dbraw/zinc/29/58/76/210295876.db2.gz RWKCCDKWHCWAEX-UHFFFAOYSA-N 0 0 338.407 3.237 50 30 EGEARN C=CCOc1cccc(C(=O)Nc2ccc([N+](=O)[O-])cc2OC)c1 ZINC000004843128 210295774 /nfs/dbraw/zinc/29/57/74/210295774.db2.gz NGXNRUMTEQEKQR-UHFFFAOYSA-N 0 0 328.324 3.421 50 30 EGEARN C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC/C2=C/CO ZINC000118924698 221204464 /nfs/dbraw/zinc/20/44/64/221204464.db2.gz FIMYJWIQTVIDQB-XCWGVBQFSA-N 0 0 328.452 3.184 50 30 EGEARN N#Cc1cccc(-c2ccc(C(=O)N3CCC(F)(F)CC3)cc2)n1 ZINC000426498770 257966141 /nfs/dbraw/zinc/96/61/41/257966141.db2.gz VHNXWJFZAPVGDK-UHFFFAOYSA-N 0 0 327.334 3.492 50 30 EGEARN C=C(C)COc1cccc(C(=O)NCCCc2c(C)n[nH]c2C)c1 ZINC000055053223 258014942 /nfs/dbraw/zinc/01/49/42/258014942.db2.gz WRYLFIFRMFJMPI-UHFFFAOYSA-N 0 0 327.428 3.344 50 30 EGEARN C=CCn1c(SCC(=O)N(CC)CC)nnc1-c1ccc(C)cc1 ZINC000019810147 258016753 /nfs/dbraw/zinc/01/67/53/258016753.db2.gz GUSDUJQHYCJMBG-UHFFFAOYSA-N 0 0 344.484 3.400 50 30 EGEARN C#CCOc1c2ccccc2sc1-c1nc(OC)cc(OC)n1 ZINC000001742585 258017382 /nfs/dbraw/zinc/01/73/82/258017382.db2.gz YEMIAIXPONHSKR-UHFFFAOYSA-N 0 0 326.377 3.388 50 30 EGEARN C[C@H](O)[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3[C@@H](O)C[C@]12C ZINC000257345539 258073368 /nfs/dbraw/zinc/07/33/68/258073368.db2.gz AIPVEEYYOOGTAW-UMMICYICSA-N 0 0 332.484 3.486 50 30 EGEARN Cc1cc(N2CCOCC2)ccc1C=C1C(=O)c2ccccc2C1=O ZINC000004620821 135665028 /nfs/dbraw/zinc/66/50/28/135665028.db2.gz HYWJFDCARUIKJV-UHFFFAOYSA-N 0 0 333.387 3.294 50 30 EGEARN COc1ccc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)cc1O ZINC000004704678 286267281 /nfs/dbraw/zinc/26/72/81/286267281.db2.gz HCEDMPYYAUNMQO-OQLLNIDSSA-N 0 0 344.367 3.432 50 30 EGEARN Cc1c(C#N)c2ccccc2n1CC(=O)N1CCc2ccccc2C1 ZINC000000309552 262517218 /nfs/dbraw/zinc/51/72/18/262517218.db2.gz CRYXXHABWNOVQM-UHFFFAOYSA-N 0 0 329.403 3.406 50 30 EGEARN O=C1CCCC1=C(NN=c1[nH]c2ccccc2s1)C(F)(F)F ZINC000025185900 275017379 /nfs/dbraw/zinc/01/73/79/275017379.db2.gz FMOFOTFRZCGYAB-FQBKRNEFSA-N 0 0 327.331 3.418 50 30 EGEARN CN1CCc2c(C#N)c(NC(=S)Nc3ccccc3)sc2C1 ZINC000000156000 277186868 /nfs/dbraw/zinc/18/68/68/277186868.db2.gz NDGGQIWRKFVKHC-UHFFFAOYSA-N 0 0 328.466 3.417 50 30 EGEARN C=C(C)COc1c(OC)cccc1[C@H]1CC(=O)Nc2n[nH]c(CC)c21 ZINC000067676203 277778049 /nfs/dbraw/zinc/77/80/49/277778049.db2.gz PBIFTMWKMXJKDR-CYBMUJFWSA-N 0 0 341.411 3.410 50 30 EGEARN C=CCSc1nc2c(c(=O)[nH]1)[C@H](c1ccccc1Cl)CC(=O)N2 ZINC000004944219 277879133 /nfs/dbraw/zinc/87/91/33/277879133.db2.gz CDFMTQYAQKEHOT-JTQLQIEISA-N 0 0 347.827 3.176 50 30 EGEARN COc1ccccc1[C@H]1C(=C(C)O)C(=O)C(=O)N1c1ccc(F)cc1 ZINC000000273556 278062715 /nfs/dbraw/zinc/06/27/15/278062715.db2.gz FJTXVAFBMSTRJH-KRWDZBQOSA-N 0 0 341.338 3.323 50 30 EGEARN CC1(C)CC(=O)C2C(=Nc3nonc3N[C@H]2c2ccccc2F)C1 ZINC000012321692 280892922 /nfs/dbraw/zinc/89/29/22/280892922.db2.gz JSZSCIVRPWALJT-AWEZNQCLSA-N 0 0 328.347 3.431 50 30 EGEARN Cc1ccc2[nH]c(C3=C(N)N(c4ccc(C)cc4C)CC3=O)nc2c1 ZINC000005182825 281153053 /nfs/dbraw/zinc/15/30/53/281153053.db2.gz CPPSVOMKRDSWSI-UHFFFAOYSA-N 0 0 332.407 3.205 50 30 EGEARN N#CCc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=NC2 ZINC000039247014 294813365 /nfs/dbraw/zinc/81/33/65/294813365.db2.gz OKWFOVTZQZAELI-UHFFFAOYSA-N 0 0 333.782 3.338 50 30 EGEARN COc1ccc([C@@H]2[C@@H](C(C)C)C(=O)CC(C#N)(C#N)C2(C#N)C#N)cc1 ZINC000000506979 295229727 /nfs/dbraw/zinc/22/97/27/295229727.db2.gz ROFNYPZDFRHARM-ZWKOTPCHSA-N 0 0 346.390 3.091 50 30 EGEARN COc1ccc2c(c1)OC1=C(C(=O)CCC1)[C@@H]2C1C(=O)CCCC1=O ZINC000000090466 295265875 /nfs/dbraw/zinc/26/58/75/295265875.db2.gz DKYAFQJXUWWMQI-SFHVURJKSA-N 0 0 340.375 3.117 50 30 EGEARN Cc1cccc([C@@H]2CC(=O)N(N(C)C)C3=C2C(=O)CC(C)(C)C3)c1 ZINC000001427537 302021873 /nfs/dbraw/zinc/02/18/73/302021873.db2.gz IJDFBCUAQQBISO-HNNXBMFYSA-N 0 0 326.440 3.431 50 30 EGEARN Clc1ccc(-c2nc(/C=N/N3CCOCC3)c3ccccn32)cc1 ZINC000000071931 452497614 /nfs/dbraw/zinc/49/76/14/452497614.db2.gz PJVOAZMVIYLJHI-DEDYPNTBSA-N 0 0 340.814 3.321 50 30 EGEARN CCc1ccc([C@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)CCC3)cc1 ZINC000000124007 452514300 /nfs/dbraw/zinc/51/43/00/452514300.db2.gz QUYKMFZJFSOBCB-SFHVURJKSA-N 0 0 325.408 3.390 50 30 EGEARN CCOc1cccc(/C=N/N2CCN(c3ccc(C)cc3)CC2)c1O ZINC000000136658 452518095 /nfs/dbraw/zinc/51/80/95/452518095.db2.gz BCYNWCRXOAVCPB-RCCKNPSSSA-N 0 0 339.439 3.255 50 30 EGEARN COc1ccc(/C(C)=N\N2CCN(c3ccccc3)CC2)cc1OC ZINC000000136592 452518102 /nfs/dbraw/zinc/51/81/02/452518102.db2.gz JNDRMBUOAAASLC-PGMHBOJBSA-N 0 0 339.439 3.250 50 30 EGEARN COc1ccc(-c2c(C#N)c3nc4ccccc4n3c(N)c2C#N)cc1 ZINC000000148136 452521806 /nfs/dbraw/zinc/52/18/06/452521806.db2.gz PAZGRMLCQJNGAD-UHFFFAOYSA-N 0 0 339.358 3.489 50 30 EGEARN COc1cc(OC)c(OC)cc1/C=N/C[C@H]1OCCc2ccccc21 ZINC000000174653 452526552 /nfs/dbraw/zinc/52/65/52/452526552.db2.gz IQKQNFKKKWZNTI-BCVDLATCSA-N 0 0 341.407 3.445 50 30 biogenic EGEARN Cc1cc(/C=N/n2cnnc2)c(C)n1-c1cccc(Br)c1 ZINC000000317569 452563700 /nfs/dbraw/zinc/56/37/00/452563700.db2.gz LRVLKJXULXXBSU-UFWORHAWSA-N 0 0 344.216 3.330 50 30 EGEARN Cc1ccc(S(=O)(=O)CCSc2nc(C)cc(C)c2C#N)cc1 ZINC000000470642 452602666 /nfs/dbraw/zinc/60/26/66/452602666.db2.gz ABSLNFJKZQBBAX-UHFFFAOYSA-N 0 0 346.477 3.445 50 30 EGEARN CCOC(=O)CSc1nc(-c2cccc(OC)c2)ccc1C#N ZINC000000523286 452611775 /nfs/dbraw/zinc/61/17/75/452611775.db2.gz ZFJZVYGJUNFDMK-UHFFFAOYSA-N 0 0 328.393 3.284 50 30 EGEARN C=CCNC1=C(Cl)C(=O)N(c2cccc(Cl)c2Cl)C1=O ZINC000001766053 452677512 /nfs/dbraw/zinc/67/75/12/452677512.db2.gz ONYZYIYVDFJKQL-UHFFFAOYSA-N 0 0 331.586 3.093 50 30 EGEARN c1nnc2ccc(N=NCc3ccccc3OCc3ccccc3)nn12 ZINC000002685673 452714754 /nfs/dbraw/zinc/71/47/54/452714754.db2.gz FFZHEHXMFSSXOV-UDWIEESQSA-N 0 0 344.378 3.149 50 30 EGEARN O=C(Nc1c(F)c(F)c(F)c(F)c1F)c1ccnn1C(F)F ZINC000002777610 452722947 /nfs/dbraw/zinc/72/29/47/452722947.db2.gz ZDIZOYHCFYNREU-UHFFFAOYSA-N 0 0 327.159 3.226 50 30 EGEARN C=CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1cccc(O)c1 ZINC000002896311 452733700 /nfs/dbraw/zinc/73/37/00/452733700.db2.gz GTVBBDCSVVVQSH-GOSISDBHSA-N 0 0 339.391 3.089 50 30 EGEARN Cc1ccccc1COc1ccc(C=NNc2nc(O)cs2)cc1 ZINC000003255914 452753745 /nfs/dbraw/zinc/75/37/45/452753745.db2.gz QKGRKKICZOHHJX-VXLYETTFSA-N 0 0 339.420 3.127 50 30 EGEARN N#Cc1ccccc1-c1ccc(C=NN2C(=O)CSC2=S)o1 ZINC000005322569 452859220 /nfs/dbraw/zinc/85/92/20/452859220.db2.gz ZRXCBNVYOSYKST-CAOOACKPSA-N 0 0 327.390 3.012 50 30 EGEARN COc1nc2ccccc2nc1[C@@H](C#N)C(=O)Nc1cccc(C)c1 ZINC000005483266 452877823 /nfs/dbraw/zinc/87/78/23/452877823.db2.gz HPHWWUFRAUNDJB-CQSZACIVSA-N 0 0 332.363 3.193 50 30 EGEARN COc1ccc(C(=O)C2C(=O)C(=O)N(C)[C@@H]2c2ccc(F)cc2)cc1 ZINC000005686963 452896147 /nfs/dbraw/zinc/89/61/47/452896147.db2.gz JDHJHRQXHXPOEL-MRXNPFEDSA-N 0 0 341.338 3.042 50 30 EGEARN COc1ccc(/C(C)=N/NS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000005895833 452907318 /nfs/dbraw/zinc/90/73/18/452907318.db2.gz NFBLXZWMQPMMLP-GZTJUZNOSA-N 0 0 338.816 3.051 50 30 EGEARN Cc1cc(OS(C)(=O)=O)cc2c1C(=O)/C(=C/c1ccccc1F)O2 ZINC000006755254 452983608 /nfs/dbraw/zinc/98/36/08/452983608.db2.gz BQZORGHTPYDBRW-NVNXTCNLSA-N 0 0 348.351 3.089 50 30 EGEARN CCCc1cc(-c2nc(C)c(/C(C)=N/NC(N)=S)s2)ccn1 ZINC000006756493 452984057 /nfs/dbraw/zinc/98/40/57/452984057.db2.gz DYAJFCMAIOZQCL-VXLYETTFSA-N 0 0 333.486 3.023 50 30 EGEARN O=C1CCCC2=Nc3nnnn3[C@H](c3ccc(Cl)cc3Cl)C12 ZINC000007778513 453115372 /nfs/dbraw/zinc/11/53/72/453115372.db2.gz KVANEPFIBXAYNS-CYBMUJFWSA-N 0 0 336.182 3.002 50 30 EGEARN Cc1ccc(N2C[C@H](C(=O)Nc3ccccc3C#N)CC2=O)cc1C ZINC000008265528 453183351 /nfs/dbraw/zinc/18/33/51/453183351.db2.gz VZBBFTNRCKFZOL-MRXNPFEDSA-N 0 0 333.391 3.167 50 30 EGEARN CCc1nn(-c2cc(Oc3cc(C)ccc3C)ncn2)c(N)c1C#N ZINC000008715047 453225825 /nfs/dbraw/zinc/22/58/25/453225825.db2.gz IQKSGLSREHMIPX-UHFFFAOYSA-N 0 0 334.383 3.088 50 30 EGEARN COc1ccc(C)c2s/c(=N\C(=O)c3ccc(C#N)cc3)n(C)c21 ZINC000012514627 453363670 /nfs/dbraw/zinc/36/36/70/453363670.db2.gz CILYSRYABZHSMK-ZZEZOPTASA-N 0 0 337.404 3.170 50 30 EGEARN C=CCNC(=O)N1CCC[C@H](C(=O)c2ccc(C(F)(F)F)cc2)C1 ZINC000014949632 453547857 /nfs/dbraw/zinc/54/78/57/453547857.db2.gz WJAQQCYOCDJHMS-ZDUSSCGKSA-N 0 0 340.345 3.496 50 30 EGEARN CSc1nc(NC[C@@H]2CCCO2)c(C#N)c(-c2ccccc2)n1 ZINC000015859784 453587215 /nfs/dbraw/zinc/58/72/15/453587215.db2.gz BFFPCYSHRWQVAH-ZDUSSCGKSA-N 0 0 326.425 3.328 50 30 EGEARN CN(C)/C=N/c1ncc(-c2ncc(C(F)(F)F)cc2Cl)cn1 ZINC000018080984 453643109 /nfs/dbraw/zinc/64/31/09/453643109.db2.gz PHEKNLFVOLMIKW-QPSGOUHRSA-N 0 0 329.713 3.432 50 30 EGEARN N#Cc1c(N)nc2c(c1-c1ccco1)CN(Cc1ccccc1)CC2 ZINC000018241854 453649711 /nfs/dbraw/zinc/64/97/11/453649711.db2.gz KFUUNTKCCUNIKW-UHFFFAOYSA-N 0 0 330.391 3.354 50 30 EGEARN O=C1CCCC2=Nc3nonc3N[C@H](c3cc(Cl)ccc3F)C12 ZINC000020736421 453668248 /nfs/dbraw/zinc/66/82/48/453668248.db2.gz KQWOCDRMDSBBDH-CYBMUJFWSA-N 0 0 334.738 3.448 50 30 EGEARN C/C(=N\N1CCN(Cc2ccc(Cl)cc2)CC1)c1ccncc1 ZINC000025579799 453778815 /nfs/dbraw/zinc/77/88/15/453778815.db2.gz FFOGJYLDMXVOKQ-RCCKNPSSSA-N 0 0 328.847 3.277 50 30 EGEARN N#Cc1ccc(-c2nc([C@@H]3CC(=O)N(c4ccc(F)cc4)C3)no2)cc1 ZINC000044420160 454100833 /nfs/dbraw/zinc/10/08/33/454100833.db2.gz AGSQJIBLFUWXKZ-CQSZACIVSA-N 0 0 348.337 3.268 50 30 EGEARN Cc1nc(NC(=O)c2cc(CC(C)C)[nH]n2)sc1SCC#N ZINC000069527739 454116114 /nfs/dbraw/zinc/11/61/14/454116114.db2.gz FWJZEYHBMOGBMJ-UHFFFAOYSA-N 0 0 335.458 3.241 50 30 EGEARN COc1ccc(NC(=O)N(C)Cc2cc(C(C)(C)C)n[nH]2)cc1C#N ZINC000095500065 454222484 /nfs/dbraw/zinc/22/24/84/454222484.db2.gz FPLLBBRRCSXTTI-UHFFFAOYSA-N 0 0 341.415 3.251 50 30 EGEARN N#Cc1ccc([C@@H]2c3[nH]cnc3CCN2Cc2ccc(Cl)nc2)cc1 ZINC000072418009 454295897 /nfs/dbraw/zinc/29/58/97/454295897.db2.gz GWUXJHGMMYLOHL-LJQANCHMSA-N 0 0 349.825 3.477 50 30 EGEARN Cc1ccccc1NC(=O)[C@@H](C#N)Cc1c(C)[nH]c2ccccc2c1=O ZINC000065365646 454554112 /nfs/dbraw/zinc/55/41/12/454554112.db2.gz YJTIVGXHHAJKMM-OAHLLOKOSA-N 0 0 345.402 3.466 50 30 EGEARN CC(C)(O)C#Cc1ccc(C(=O)N2CC=C(c3ccccc3)CC2)o1 ZINC000065376070 454556705 /nfs/dbraw/zinc/55/67/05/454556705.db2.gz FFSNNWYUWPRQFE-UHFFFAOYSA-N 0 0 335.403 3.332 50 30 EGEARN N#CCCn1ncc2c1ncnc2N[C@H]1CCSc2ccccc21 ZINC000065520139 454582879 /nfs/dbraw/zinc/58/28/79/454582879.db2.gz QVOUPJIYPMZLKT-AWEZNQCLSA-N 0 0 336.424 3.389 50 30 EGEARN CC(=O)OC[C@@H]1[C@@H]2[C@H]3CCC[C@H]3[C@H]3[C@H]4C(=O)C5=C6[C@@H](CC5)[C@@H]1[C@@H]([C@H]64)[C@H]32 ZINC000257346386 455897121 /nfs/dbraw/zinc/89/71/21/455897121.db2.gz ACNQABZCVSHDBM-YXBTYZSZSA-N 0 0 338.447 3.239 50 30 EGEARN CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@H](O)C[C@]12C ZINC000257359027 455897848 /nfs/dbraw/zinc/89/78/48/455897848.db2.gz XYVVSFGOAQGVRE-KQFCJCSDSA-N 0 0 328.452 3.470 50 30 EGEARN COc1cc2[nH]c(C3C(=O)CC(C)(C)CC3=O)cc(=O)c2cc1OC ZINC000334157671 456306645 /nfs/dbraw/zinc/30/66/45/456306645.db2.gz VKPIHTOEXSIQIK-UHFFFAOYSA-N 0 0 343.379 3.204 50 30 EGEARN C#CCN(C/C=C/c1ccccc1)S(=O)(=O)c1ccc(C)cc1 ZINC000000387572 518256547 /nfs/dbraw/zinc/25/65/47/518256547.db2.gz RPSOKXVCPNBLRU-JXMROGBWSA-N 0 0 325.433 3.332 50 30 EGEARN C#CCn1c2ccccc2s/c1=N\C(=O)c1ccc([N+](=O)[O-])s1 ZINC000100875180 518344957 /nfs/dbraw/zinc/34/49/57/518344957.db2.gz IZYUBPMPDXKVDB-NXVVXOECSA-N 0 0 343.389 3.047 50 30 EGEARN C=C(C)CN(C)C(=O)c1coc(COc2ccc(C)cc2OC)n1 ZINC000011838614 518589114 /nfs/dbraw/zinc/58/91/14/518589114.db2.gz QRWYDOXEVLQPSE-UHFFFAOYSA-N 0 0 330.384 3.219 50 30 EGEARN C=CCN(Cc1ccccc1OC)C(=O)c1cnn(CCC)c1C ZINC000055153496 518788377 /nfs/dbraw/zinc/78/83/77/518788377.db2.gz ZWSOXWXTTZARBC-UHFFFAOYSA-N 0 0 327.428 3.439 50 30 EGEARN CC#CC(=O)N1CCC(CCCc2ccccc2)(C(=O)OCC)CC1 ZINC000012582663 519329300 /nfs/dbraw/zinc/32/93/00/519329300.db2.gz AUAOJFVYFJWBCK-UHFFFAOYSA-N 0 0 341.451 3.205 50 30 EGEARN COc1ccc(CN=Nc2cc(C)nc(-n3nc(C)cc3C)n2)cc1 ZINC000004616511 523443400 /nfs/dbraw/zinc/44/34/00/523443400.db2.gz IFBWUVGRCCHEGR-YBFXNURJSA-N 0 0 336.399 3.042 50 30 EGEARN Cc1ccc(S(=O)(=O)N/N=C\c2cccc(OC(C)C)c2)cc1 ZINC000030860448 525515556 /nfs/dbraw/zinc/51/55/56/525515556.db2.gz ZRTMXORSDOOFSK-PDGQHHTCSA-N 0 0 332.425 3.095 50 30 EGEARN N#Cc1cccc(C(=O)N2CCC3(CC2)OCCc2sccc23)c1 ZINC001704356981 1416454687 /nfs/dbraw/zinc/45/46/87/1416454687.db2.gz ACTRLLKKCOZMSB-UHFFFAOYSA-N 0 0 338.432 3.324 50 30 EGEARN N=C(NOC(=O)c1cccc(F)c1)c1ccc(Br)cc1 ZINC000004723192 210259258 /nfs/dbraw/zinc/25/92/58/210259258.db2.gz OICRTTPGSQJHSG-UHFFFAOYSA-N 0 0 337.148 3.066 50 30 EGEARN C=CCOc1ccc(C(=O)N[C@H](C)Cc2ccncc2)cc1OCC ZINC000055359108 214312056 /nfs/dbraw/zinc/31/20/56/214312056.db2.gz ZNAKQWBRYYFZSI-OAHLLOKOSA-N 0 0 340.423 3.406 50 30 EGEARN C=CCOc1ccccc1CN(CC)C(=O)Cc1c(C)noc1C ZINC000055401659 214318079 /nfs/dbraw/zinc/31/80/79/214318079.db2.gz CBMXXOQJKZLPIX-UHFFFAOYSA-N 0 0 328.412 3.447 50 30 EGEARN COc1ccc2c(c1)C[C@@H](C(=O)Nc1ccc(Cl)cc1)/C(=N/O)O2 ZINC000101278571 219121511 /nfs/dbraw/zinc/12/15/11/219121511.db2.gz FQKODFGIEPSNKT-UXPDKRSESA-N 0 0 346.770 3.326 50 30 EGEARN COc1cccc(/C=N/c2sc3c(c2C#N)CCN(C)C3)c1O ZINC000004150652 210133167 /nfs/dbraw/zinc/13/31/67/210133167.db2.gz FFBNQUOWACJHQL-DJKKODMXSA-N 0 0 327.409 3.072 50 30 EGEARN N/C(=N\O)c1cn(CCOc2ccc(Cl)cc2)c2ccccc12 ZINC000004140763 210130465 /nfs/dbraw/zinc/13/04/65/210130465.db2.gz YDIOEGKOBLRGKJ-UHFFFAOYSA-N 0 0 329.787 3.468 50 30 EGEARN CC(C)(C#N)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000020387111 534999334 /nfs/dbraw/zinc/99/93/34/534999334.db2.gz OOROZDHOHLQRSB-UHFFFAOYSA-N 0 0 332.757 3.178 50 30 EGEARN Cc1cc(NCCCn2ccnc2)n2c3ccccc3nc2c1C#N ZINC000004075381 210113309 /nfs/dbraw/zinc/11/33/09/210113309.db2.gz LZCIPFUNINREFX-UHFFFAOYSA-N 0 0 330.395 3.366 50 30 EGEARN C#CCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccccc2F)C1 ZINC000004033457 210105291 /nfs/dbraw/zinc/10/52/91/210105291.db2.gz UTMAIBSTUUUEPH-CQSZACIVSA-N 0 0 333.366 3.329 50 30 EGEARN Cc1sc2ncnc(-n3ncc(C#N)c3N)c2c1-c1ccccc1 ZINC000000390123 282489286 /nfs/dbraw/zinc/48/92/86/282489286.db2.gz TWRUTHJTXHWYTO-UHFFFAOYSA-N 0 0 332.392 3.306 50 30 EGEARN COc1ccc(C(=O)ON2C(=O)c3cccc4cccc(c43)C2=O)cc1 ZINC000003646878 210070507 /nfs/dbraw/zinc/07/05/07/210070507.db2.gz DENPEYJRTKXOLH-UHFFFAOYSA-N 0 0 347.326 3.216 50 30 biogenic EGEARN COc1ccc(-n2cccn2)c(-c2cc(C3CC3)nc(N)c2C#N)c1 ZINC000067491403 215155045 /nfs/dbraw/zinc/15/50/45/215155045.db2.gz UEUBRHNZLSDAIZ-UHFFFAOYSA-N 0 0 331.379 3.274 50 30 EGEARN N#Cc1ccnc(NCc2cccnc2-n2cnc3ccccc32)c1 ZINC000067842173 215227640 /nfs/dbraw/zinc/22/76/40/215227640.db2.gz PIHIOCZEPOPFAX-UHFFFAOYSA-N 0 0 326.363 3.299 50 30 EGEARN CSc1nnc(C(F)F)n1/N=C/c1ccccc1OC(F)F ZINC000002789981 209913608 /nfs/dbraw/zinc/91/36/08/209913608.db2.gz UJXAQEYGMNLBAJ-UBKPWBPPSA-N 0 0 334.298 3.421 50 30 EGEARN C=CCN1c2ccc(Cl)cc2[C@@](O)(CC(=O)c2ccccc2)C1=O ZINC000001320483 209725419 /nfs/dbraw/zinc/72/54/19/209725419.db2.gz SPQBBAKMMUIOGJ-IBGZPJMESA-N 0 0 341.794 3.333 50 30 EGEARN C#CCOc1ccc([C@H]2CC(=O)Nc3c2cnn3C2CCCC2)cc1 ZINC000072115587 216011765 /nfs/dbraw/zinc/01/17/65/216011765.db2.gz CVFZMOVOBPQYBM-QGZVFWFLSA-N 0 0 335.407 3.484 50 30 EGEARN COc1ccccc1OC1CCN(C(=O)c2cccc(C#N)c2)CC1 ZINC000077459651 216910598 /nfs/dbraw/zinc/91/05/98/216910598.db2.gz JYLYVSVNLCPHCH-UHFFFAOYSA-N 0 0 336.391 3.250 50 30 EGEARN COc1ccc(OC)c([C@H]2CCN(C(=O)c3cccc(C#N)c3)C2)c1 ZINC000077542266 216934119 /nfs/dbraw/zinc/93/41/19/216934119.db2.gz VXRXYCKFHGXAGE-INIZCTEOSA-N 0 0 336.391 3.205 50 30 EGEARN C=CCNC(=O)CCc1nnc(C2(c3ccc(Cl)cc3)CCC2)o1 ZINC000011957087 211274887 /nfs/dbraw/zinc/27/48/87/211274887.db2.gz LRXXUMMEOVYVMJ-UHFFFAOYSA-N 0 0 345.830 3.428 50 30 EGEARN Cc1sc(NC(=O)COc2ccc(C)cc2[N+](=O)[O-])c(C#N)c1C ZINC000006690892 210681267 /nfs/dbraw/zinc/68/12/67/210681267.db2.gz BSESZPHSNMUJLI-UHFFFAOYSA-N 0 0 345.380 3.471 50 30 EGEARN COc1cccc(C2N=NC(=S)N2N=CC=Cc2ccco2)c1 ZINC000005932596 210560517 /nfs/dbraw/zinc/56/05/17/210560517.db2.gz PFWQEZZWGIJABI-JDKJHHCNSA-N 0 0 326.381 3.383 50 30 EGEARN C=CCN1C(=O)/C(=C/c2ccc(OCC)c(OC)c2)SC1=S ZINC000005068399 210380955 /nfs/dbraw/zinc/38/09/55/210380955.db2.gz MSMJUONHWZRYNP-UVTDQMKNSA-N 0 0 335.450 3.481 50 30 EGEARN Cc1cccc(C[C@H]2S/C(=N/N=C\c3ccccc3F)NC2=O)c1 ZINC000005010015 210360064 /nfs/dbraw/zinc/36/00/64/210360064.db2.gz NXPZKOGKJUYCBP-IWEBCOIVSA-N 0 0 341.411 3.298 50 30 EGEARN NC(=NC(=O)Nc1cccc(Cl)c1)Nc1nc2ccccc2o1 ZINC000004826876 210289604 /nfs/dbraw/zinc/28/96/04/210289604.db2.gz RDABYHGADJWUAV-UHFFFAOYSA-N 0 0 329.747 3.440 50 30 EGEARN C=CCn1nnc(NC(=O)c2ccc(-c3ccc(C)c(Cl)c3)o2)n1 ZINC000010148869 258018094 /nfs/dbraw/zinc/01/80/94/258018094.db2.gz NFQHXQCHOOKREC-UHFFFAOYSA-N 0 0 343.774 3.333 50 30 EGEARN CCCCc1nnc(NC(=O)c2c(O)nc3ccccc3c2O)s1 ZINC000009045812 258053890 /nfs/dbraw/zinc/05/38/90/258053890.db2.gz OYMWEDPVIOCPIT-UHFFFAOYSA-N 0 0 344.396 3.064 50 30 EGEARN N=C(NOC(=O)C(c1ccccc1)c1ccccc1)c1ccncc1 ZINC000013634331 258056091 /nfs/dbraw/zinc/05/60/91/258056091.db2.gz LYTULKVDLGKOFS-UHFFFAOYSA-N 0 0 331.375 3.077 50 30 EGEARN N#Cc1c(-c2ccccc2)noc1-c1cnc(N)nc1C(F)(F)F ZINC000001393320 264023964 /nfs/dbraw/zinc/02/39/64/264023964.db2.gz MZXFYKPIYDOPFQ-UHFFFAOYSA-N 0 0 331.257 3.271 50 30 EGEARN C[C@@](O)(C#C[C@](O)(c1ccccc1)C(F)(F)F)c1ccccc1F ZINC000002379374 289110661 /nfs/dbraw/zinc/11/06/61/289110661.db2.gz YZRQUFKFGIXVJU-SJORKVTESA-N 0 0 338.300 3.487 50 30 EGEARN O=C1CCCC2=Nc3nnnn3[C@H](c3cccc(Cl)c3Cl)C12 ZINC000012348349 304623429 /nfs/dbraw/zinc/62/34/29/304623429.db2.gz UBLDGODFFNTQKA-CYBMUJFWSA-N 0 0 336.182 3.002 50 30 EGEARN N#C[C@]12C(=N)O[C@@]3(CCCC[C@H]31)O[C@H](c1ccccc1)C2(C#N)C#N ZINC000004578036 303173704 /nfs/dbraw/zinc/17/37/04/303173704.db2.gz WZLSMMJVGMRTON-OSGQAZFXSA-N 0 0 332.363 3.195 50 30 EGEARN C[C@@H](NC(=O)CN1CCC(C#N)(c2ccccc2)CC1)c1ccccc1 ZINC000244646938 455276087 /nfs/dbraw/zinc/27/60/87/455276087.db2.gz GSBYCRCBBYWCPQ-GOSISDBHSA-N 0 0 347.462 3.421 50 30 EGEARN COc1ccc(/C=C2\Oc3cc(O)ccc3C2=O)c(OC)c1OC ZINC000000025570 452491361 /nfs/dbraw/zinc/49/13/61/452491361.db2.gz JGOPTESGPYJSBC-NVNXTCNLSA-N 0 0 328.320 3.034 50 30 biogenic EGEARN O=C(NC1CCCCC1)c1ccc(NC=C2C(=O)CCCC2=O)cc1 ZINC000000090215 452503681 /nfs/dbraw/zinc/50/36/81/452503681.db2.gz NXUNWYOBABAJSG-UHFFFAOYSA-N 0 0 340.423 3.367 50 30 EGEARN Cc1cccc(OCc2nc(C#N)c(N3C[C@H](C)O[C@@H](C)C3)o2)c1 ZINC000000108654 452510371 /nfs/dbraw/zinc/51/03/71/452510371.db2.gz XSODRGURJJWSRS-KBPBESRZSA-N 0 0 327.384 3.047 50 30 EGEARN CCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccc(C)cc1C ZINC000000135338 452517691 /nfs/dbraw/zinc/51/76/91/452517691.db2.gz SIMCYGHRMFMNDZ-INIZCTEOSA-N 0 0 341.407 3.158 50 30 EGEARN CC1=C[C@H](c2ccccc2)N2N=C(NC(=O)c3ccccc3)NC2=N1 ZINC000000309379 452560162 /nfs/dbraw/zinc/56/01/62/452560162.db2.gz KFEBYWRIZAWKMJ-MRXNPFEDSA-N 0 0 331.379 3.182 50 30 EGEARN COc1ccc(/C=N/O)cc1Cn1nc(C)c(Br)c1C ZINC000000369444 452574050 /nfs/dbraw/zinc/57/40/50/452574050.db2.gz CTUJQJSTSYQBML-FRKPEAEDSA-N 0 0 338.205 3.127 50 30 EGEARN CC/C(C)=N/Nc1nc2sc3c(c2c(=O)n1C)CC(C)(C)OC3 ZINC000000495439 452607930 /nfs/dbraw/zinc/60/79/30/452607930.db2.gz ZTFFFPGSYAYDME-GIJQJNRQSA-N 0 0 334.445 3.044 50 30 EGEARN C=CCOC(=O)c1sc(NC(=O)c2ccc(OC)cc2)nc1C ZINC000002693429 452715168 /nfs/dbraw/zinc/71/51/68/452715168.db2.gz VHUJMINFUKKYKZ-UHFFFAOYSA-N 0 0 332.381 3.055 50 30 EGEARN Cn1nc(C(=O)Nc2sc3c(c2C#N)CCC3)cc1C(F)(F)F ZINC000002777701 452722489 /nfs/dbraw/zinc/72/24/89/452722489.db2.gz HLPJDJBMRDZZET-UHFFFAOYSA-N 0 0 340.330 3.113 50 30 EGEARN CCCCOc1ccccc1[C@@H]1C2C(=O)CCCC2=Nc2ncnn21 ZINC000004368718 452802366 /nfs/dbraw/zinc/80/23/66/452802366.db2.gz WWERDBQFQPIIRG-GOSISDBHSA-N 0 0 338.411 3.479 50 30 EGEARN C=CCN1c2ccccc2N[C@@H]2[C@@H]1[C@@H](C(C)=O)C(=O)N2c1ccccc1 ZINC000004624366 452810910 /nfs/dbraw/zinc/81/09/10/452810910.db2.gz DDDSBDPXUPSYNO-AABGKKOBSA-N 0 0 347.418 3.051 50 30 EGEARN COc1ccc(OC)c(/C=N/c2ccc(N3CCOCC3)cc2)c1 ZINC000004663637 452811888 /nfs/dbraw/zinc/81/18/88/452811888.db2.gz KLYQSEXKGKRXRK-XSFVSMFZSA-N 0 0 326.396 3.291 50 30 EGEARN Cc1ccc(N2CC(=O)C(c3nc4ccccc4[nH]3)=C2N)cc1Cl ZINC000005012162 452832601 /nfs/dbraw/zinc/83/26/01/452832601.db2.gz DTIRGBNVMPFCSH-UHFFFAOYSA-N 0 0 338.798 3.241 50 30 EGEARN C=CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(OC)cc1 ZINC000006239959 452926233 /nfs/dbraw/zinc/92/62/33/452926233.db2.gz KGKMEEULBBCKNH-GOSISDBHSA-N 0 0 349.386 3.460 50 30 EGEARN C=C(C)c1ccccc1NC(=O)Cc1nn(C)c(=O)c2ccccc12 ZINC000006262259 452929675 /nfs/dbraw/zinc/92/96/75/452929675.db2.gz SXLUEDHGDOITTI-UHFFFAOYSA-N 0 0 333.391 3.148 50 30 EGEARN CCOc1ccc(C2N=NC(=S)N2NN=Cc2ccccc2)cc1 ZINC000006876118 453002433 /nfs/dbraw/zinc/00/24/33/453002433.db2.gz ISVCGBLDRYOFML-LDADJPATSA-N 0 0 339.424 3.210 50 30 EGEARN CC1(C)CC(=O)C2=C(C1)Nc1[nH][nH]c(=O)c1[C@@H]2c1cccc(O)c1 ZINC000012348608 453357197 /nfs/dbraw/zinc/35/71/97/453357197.db2.gz RLJJQHARPJUDOA-CYBMUJFWSA-N 0 0 325.368 3.022 50 30 EGEARN CC(C)(C)C(=O)N1CCC(C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000012865013 453418696 /nfs/dbraw/zinc/41/86/96/453418696.db2.gz NKONQGNRIXJJEE-UHFFFAOYSA-N 0 0 347.846 3.435 50 30 EGEARN COc1cccc(NC(C)=NNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC000013286588 453455872 /nfs/dbraw/zinc/45/58/72/453455872.db2.gz RIXIJUQGXYSFGS-UHFFFAOYSA-N 0 0 345.315 3.369 50 30 EGEARN COc1ccc(/N=C2\SCC(=O)N2c2ccc(OC)cc2)cc1 ZINC000013467658 453464247 /nfs/dbraw/zinc/46/42/47/453464247.db2.gz AIPQWDLMORICDV-ZCXUNETKSA-N 0 0 328.393 3.471 50 30 EGEARN Cc1ccc(C(C)(C)C)cc1S(=O)(=O)N=C(N)c1ccccc1 ZINC000013557089 453471027 /nfs/dbraw/zinc/47/10/27/453471027.db2.gz LPYKPPKRYCDGLC-UHFFFAOYSA-N 0 0 330.453 3.387 50 30 EGEARN C#CCn1c2ccccc2nc1[C@H]1CC(=O)N(c2ccc(C)cc2)C1 ZINC000014095103 453505537 /nfs/dbraw/zinc/50/55/37/453505537.db2.gz IEZLFGSJUDZKMM-INIZCTEOSA-N 0 0 329.403 3.498 50 30 EGEARN Cc1cs/c(=N\C2CCCCC2)n1/N=C/c1ccc(O)c(O)c1O ZINC000015913384 453588780 /nfs/dbraw/zinc/58/87/80/453588780.db2.gz RGGFUBMUOVFZEF-LDRVEFRDSA-N 0 0 347.440 3.090 50 30 in-vitro EGEARN COc1cc(/C=N/O)c(Br)c(Br)c1OC ZINC000016194713 453598195 /nfs/dbraw/zinc/59/81/95/453598195.db2.gz KQWPFWQJDPHKBD-UUILKARUSA-N 0 0 338.983 3.037 50 30 EGEARN CC[C@@H](C)c1ccc(S(=O)(=O)N/N=C/c2ccccc2O)cc1 ZINC000017068363 453628013 /nfs/dbraw/zinc/62/80/13/453628013.db2.gz QPHZERASANRUED-RNEAKCBISA-N 0 0 332.425 3.218 50 30 EGEARN COc1ccc(C(=O)Cc2nc3ccc(Cl)cc3[nH]c2=O)cc1 ZINC000017142006 453630229 /nfs/dbraw/zinc/63/02/29/453630229.db2.gz IRMJMNFQLKMQOA-OQLLNIDSSA-N 0 0 328.755 3.479 50 30 EGEARN O=C(CC1=C(c2ccccc2)CCC1=O)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000077298706 454087589 /nfs/dbraw/zinc/08/75/89/454087589.db2.gz OGUOTRMWINVBIX-MRXNPFEDSA-N 0 0 349.434 3.323 50 30 EGEARN C=CCn1c(-c2ccc(OC)cc2)cnc1SCC(=O)NC(C)C ZINC000044085707 454088221 /nfs/dbraw/zinc/08/82/21/454088221.db2.gz LEVTZYZQASPJEA-UHFFFAOYSA-N 0 0 345.468 3.361 50 30 EGEARN Cc1ccc(-c2nc(N)c(C#N)c(-c3cccc(OCCO)c3)c2C)o1 ZINC000071748618 454213456 /nfs/dbraw/zinc/21/34/56/454213456.db2.gz LJDXITIBJSHORL-UHFFFAOYSA-N 0 0 349.390 3.450 50 30 EGEARN Cc1[nH]cnc1-c1cc(-c2cc(F)c(F)c(F)c2)nc(N)c1C#N ZINC000071752690 454214405 /nfs/dbraw/zinc/21/44/05/454214405.db2.gz AVQLDCXOIHJPBR-UHFFFAOYSA-N 0 0 329.285 3.318 50 30 EGEARN Cc1nn(C)cc1-c1cc(-c2cc3ccccc3[nH]2)c(C#N)c(N)n1 ZINC000071764776 454216724 /nfs/dbraw/zinc/21/67/24/454216724.db2.gz ZFTMSTUCQASTCF-UHFFFAOYSA-N 0 0 328.379 3.393 50 30 EGEARN CN(C)c1ccc(/C=C/C(=O)c2ccc(NS(C)(=O)=O)cc2)cc1 ZINC000060856893 454316806 /nfs/dbraw/zinc/31/68/06/454316806.db2.gz GZSKKLBEAOBUJD-AWNIVKPZSA-N 0 0 344.436 3.020 50 30 EGEARN COc1ccccc1OCC#CCNC(=O)c1ccccc1SC ZINC000090610387 454327282 /nfs/dbraw/zinc/32/72/82/454327282.db2.gz JHXVNBXQXJUMNC-UHFFFAOYSA-N 0 0 341.432 3.229 50 30 EGEARN Cc1[nH]c2ccccc2c1C(C#N)(C#N)C1C(=O)c2ccccc2C1=O ZINC000100081493 454463367 /nfs/dbraw/zinc/46/33/67/454463367.db2.gz STVUWNZRVYWDSV-UHFFFAOYSA-N 0 0 339.354 3.457 50 30 EGEARN Cc1ccc(N2C(=O)CS/C2=N/C(=O)NC2CCCCC2)cc1 ZINC000101121248 454469468 /nfs/dbraw/zinc/46/94/68/454469468.db2.gz MLUFFBBJMWRVBT-HTXNQAPBSA-N 0 0 331.441 3.473 50 30 EGEARN Nc1ccc(C(=O)OC/C(=N/O)c2ccc(Br)cc2)cc1 ZINC000102519874 454507669 /nfs/dbraw/zinc/50/76/69/454507669.db2.gz QOMISMLDGYAYHX-JXAWBTAJSA-N 0 0 349.184 3.067 50 30 EGEARN COC1=CC=C/C(=C/C=C2/N(CCO)c3ccccc3C2(C)C)C1=O ZINC000136450247 454742603 /nfs/dbraw/zinc/74/26/03/454742603.db2.gz SQLVYYUCCFIXPO-CTGWRUSHSA-N 0 0 337.419 3.256 50 30 EGEARN Oc1ccccc1C=NN1C(=S)N=NC1c1ccc(Cl)cc1 ZINC000252429360 455804601 /nfs/dbraw/zinc/80/46/01/455804601.db2.gz HCYHYCYKYZJWRG-UHFFFAOYSA-N 0 0 330.800 3.475 50 30 EGEARN CC(=O)OC[C@@H]1[C@H]2[C@@H]3[C@@H]([C@@H]4CCC[C@@H]42)[C@H]2C(=O)C4=C5[C@@H](CC4)[C@@H]1[C@@H]3[C@H]52 ZINC000257346385 455896592 /nfs/dbraw/zinc/89/65/92/455896592.db2.gz ACNQABZCVSHDBM-MHQFFHBUSA-N 0 0 338.447 3.239 50 30 EGEARN COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)cc2)ccc1O ZINC000031430198 521978533 /nfs/dbraw/zinc/97/85/33/521978533.db2.gz HJTVQHVGMGKONQ-AVWDGMTFSA-N 0 0 338.359 3.361 50 30 EGEARN CC[C@H](C)n1c(SCC(=O)NCCC#N)nnc1-c1ccccc1 ZINC000058209291 522071712 /nfs/dbraw/zinc/07/17/12/522071712.db2.gz ZWBLDYMZAPBYRB-ZDUSSCGKSA-N 0 0 343.456 3.038 50 30 EGEARN COc1ccc(C(=O)/C=C/c2ccc(/C=N/N(C)C)cc2)cc1OC ZINC000004306867 523538002 /nfs/dbraw/zinc/53/80/02/523538002.db2.gz ZGTLPLHJYYRYSO-QGEPNLJWSA-N 0 0 338.407 3.495 50 30 EGEARN CC[C@H](C(=O)ONC(=N)c1ccc(OC)c(OC)c1)c1ccccc1 ZINC000006953690 523811062 /nfs/dbraw/zinc/81/10/62/523811062.db2.gz SNPLEUKTXZKLPK-HNNXBMFYSA-N 0 0 342.395 3.061 50 30 EGEARN COc1cccc(C(=O)/C=C/c2cc(OC)c3c(c2OC)OCO3)c1 ZINC000015106237 525779068 /nfs/dbraw/zinc/77/90/68/525779068.db2.gz BCUUCVOMNSFJME-BQYQJAHWSA-N 0 0 342.347 3.337 50 30 EGEARN C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)ONC(=N)c1ccccn1 ZINC000005077978 525929848 /nfs/dbraw/zinc/92/98/48/525929848.db2.gz QYBPMZPKENTRAW-ZDUSSCGKSA-N 0 0 341.411 3.010 50 30 EGEARN O=C(c1cccs1)[C@H]1CCCN(Cc2cc(C#CCO)cs2)C1 ZINC000828644583 1292486976 /nfs/dbraw/zinc/48/69/76/1292486976.db2.gz HBSUQGRLBBMROY-HNNXBMFYSA-N 0 0 345.489 3.248 50 30 EGEARN CN(Cc1nccs1)C(=O)CC1=C(c2ccccc2)CCC1=O ZINC000823625641 1320193443 /nfs/dbraw/zinc/19/34/43/1320193443.db2.gz MRBVSXBCQRSHPA-UHFFFAOYSA-N 0 0 326.421 3.308 50 30 EGEARN CCNC(=O)c1cc(NC(=O)c2cc(F)cc(C#N)c2)ccc1Cl ZINC000952967183 1334627018 /nfs/dbraw/zinc/62/70/18/1334627018.db2.gz JAZGYWFPIVBWGM-UHFFFAOYSA-N 0 0 345.761 3.353 50 30 EGEARN COc1cc(C(=O)Nc2ccc(/C(C)=N/O)cc2)cc(OC)c1OC ZINC000004729217 210262143 /nfs/dbraw/zinc/26/21/43/210262143.db2.gz HVUBBUCBARPIJM-RGVLZGJSSA-N 0 0 344.367 3.163 50 30 EGEARN C=CC[C@@H]1CC=C[C@@H](C)N1C(=O)c1cn2c3c(cccc3c1=O)CC2 ZINC000055211262 214287886 /nfs/dbraw/zinc/28/78/86/214287886.db2.gz HFBVKSCFLSKDQA-GDBMZVCRSA-N 0 0 334.419 3.293 50 30 EGEARN CC(=O)C(=NNc1cc(Cl)ccc1Cl)C(=O)C(F)(F)F ZINC000100068037 219090119 /nfs/dbraw/zinc/09/01/19/219090119.db2.gz MKGQRRXMQANXOD-NVMNQCDNSA-N 0 0 327.089 3.482 50 30 EGEARN CCOc1cc(/C=N/c2ccc(Cl)cc2)ccc1OCC(N)=O ZINC000100957088 219113024 /nfs/dbraw/zinc/11/30/24/219113024.db2.gz VMPPDXUQIOXTEP-KEBDBYFISA-N 0 0 332.787 3.353 50 30 EGEARN COc1cccc(-n2cccc2)c1CNC(=O)c1ccc(C#N)cc1 ZINC000004054850 210108568 /nfs/dbraw/zinc/10/85/68/210108568.db2.gz QLUYDUJFARKFKC-UHFFFAOYSA-N 0 0 331.375 3.288 50 30 EGEARN N#Cc1c(N)nc(C2CC2)cc1-c1ccccc1OCCn1ccnc1 ZINC000067692224 215187458 /nfs/dbraw/zinc/18/74/58/215187458.db2.gz PNGQEWFDBDLEFR-UHFFFAOYSA-N 0 0 345.406 3.355 50 30 EGEARN N#Cc1c(=O)n2c(nc1-c1ccc(Br)cc1)SCCC2 ZINC000002876859 283072372 /nfs/dbraw/zinc/07/23/72/283072372.db2.gz BEHHAZMOPRXWKL-UHFFFAOYSA-N 0 0 348.225 3.040 50 30 EGEARN N#Cc1c(N)nc(-c2ccccn2)cc1-c1ccc2c(c1)OCCO2 ZINC000067909727 283077744 /nfs/dbraw/zinc/07/77/44/283077744.db2.gz RJTJJELJWKYSHD-UHFFFAOYSA-N 0 0 330.347 3.036 50 30 EGEARN CN1c2ccccc2/C(=N/OC(=O)c2cccc3ccccc32)C1=O ZINC000000448736 209606514 /nfs/dbraw/zinc/60/65/14/209606514.db2.gz DPJBCKVTUQFNDM-UZYVYHOESA-N 0 0 330.343 3.377 50 30 aggregator EGEARN CC(C)(O)C#Cc1ccc(-c2nccn2-c2ccccc2CCO)cc1 ZINC000072148130 216034779 /nfs/dbraw/zinc/03/47/79/216034779.db2.gz DPUDSAMOUBGQEF-UHFFFAOYSA-N 0 0 346.430 3.197 50 30 EGEARN Cc1cc(/C=N/n2cnnc2)c(C)n1-c1ccccc1Br ZINC000000316252 209533031 /nfs/dbraw/zinc/53/30/31/209533031.db2.gz AQNQDBATWOMRCG-UFWORHAWSA-N 0 0 344.216 3.330 50 30 EGEARN Cc1nc(NC2=NCN(C3CCCCCC3)CN2)nc2ccccc12 ZINC000019325308 212016503 /nfs/dbraw/zinc/01/65/03/212016503.db2.gz FXBYMGAJXIOHFV-UHFFFAOYSA-N 0 0 338.459 3.058 50 30 EGEARN CCC(=O)N=C(NC(=O)CC)Nc1nc(C)c2cc(OC)ccc2n1 ZINC000013756332 211631258 /nfs/dbraw/zinc/63/12/58/211631258.db2.gz MYMWXKHOJCDOQS-UHFFFAOYSA-N 0 0 343.387 3.018 50 30 EGEARN C=CCCC(=O)N1CC[C@@]2(C1)CCCN(Cc1ccccc1F)C2=O ZINC000012031313 211282011 /nfs/dbraw/zinc/28/20/11/211282011.db2.gz NDLBLWINQVUIMH-HXUWFJFHSA-N 0 0 344.430 3.133 50 30 EGEARN O=C1N/C(=N/c2ccccc2)S/C1=C/c1ccc([N+](=O)[O-])cc1 ZINC000012375812 284854360 /nfs/dbraw/zinc/85/43/60/284854360.db2.gz FHWBDWXGIJHPJK-GXDHUFHOSA-N 0 0 325.349 3.486 50 30 EGEARN Cc1ccccc1C[C@@H]1S/C(=N/N=C/c2ccccc2F)NC1=O ZINC000005061111 210379454 /nfs/dbraw/zinc/37/94/54/210379454.db2.gz WCLQZOYURLVRTC-YODDIOPGSA-N 0 0 341.411 3.298 50 30 EGEARN CC(=O)c1cccc(N2CC(=O)C(c3nc4ccccc4s3)=C2N)c1 ZINC000005009217 210359762 /nfs/dbraw/zinc/35/97/62/210359762.db2.gz CUPNDNQLSLSUHD-UHFFFAOYSA-N 0 0 349.415 3.216 50 30 EGEARN COC(=O)c1ccc(NC2=C(Cl)C(=O)c3ccccc3C2=O)cc1 ZINC000000118916 258047219 /nfs/dbraw/zinc/04/72/19/258047219.db2.gz MUEIBUHFCMKAMK-UHFFFAOYSA-N 0 0 341.750 3.415 50 30 EGEARN O=C1c2ccccc2C(=O)C(Nc2ccc(O)cc2)=C1Br ZINC000100258057 262508872 /nfs/dbraw/zinc/50/88/72/262508872.db2.gz FNKPVKIDDGVCTN-UHFFFAOYSA-N 0 0 344.164 3.490 50 30 EGEARN CN1CCc2c(C#N)c(/N=C/c3ccc([N+](=O)[O-])cc3)sc2C1 ZINC000002745765 277186872 /nfs/dbraw/zinc/18/68/72/277186872.db2.gz REZZCSDORLJKJP-GIJQJNRQSA-N 0 0 326.381 3.266 50 30 EGEARN C=CCN1C(=O)[C@H]2[C@@H](C1=O)C1(C)c3ccccc3C2c2ccccc21 ZINC000000233535 277856693 /nfs/dbraw/zinc/85/66/93/277856693.db2.gz YITKMVZUCLEHOZ-KLOMGHIOSA-N 0 0 329.399 3.239 50 30 EGEARN COc1cccc2c1ncc1c(=O)n3c4ccccc4[nH]c3c(C#N)c21 ZINC000004745261 278043370 /nfs/dbraw/zinc/04/33/70/278043370.db2.gz GLRPSLWEENXSMD-UHFFFAOYSA-N 0 0 340.342 3.362 50 30 EGEARN C[C@H]1CN(CN2c3ccccc3/C(=N\c3ccccc3)C2=O)C[C@H](C)O1 ZINC000104164425 300265064 /nfs/dbraw/zinc/26/50/64/300265064.db2.gz LBEGJLYBEASKPC-WIBYCNNDSA-N 0 0 349.434 3.221 50 30 EGEARN N#Cc1ccc([C@H]2c3[nH]cnc3CCN2Cc2ccc(Cl)nc2)cc1 ZINC000072418010 303200414 /nfs/dbraw/zinc/20/04/14/303200414.db2.gz GWUXJHGMMYLOHL-IBGZPJMESA-N 0 0 349.825 3.477 50 30 EGEARN Cc1cccc(OCc2nc(C#N)c(N3C[C@@H](C)O[C@H](C)C3)o2)c1 ZINC000000108646 452510208 /nfs/dbraw/zinc/51/02/08/452510208.db2.gz XSODRGURJJWSRS-ZIAGYGMSSA-N 0 0 327.384 3.047 50 30 EGEARN C=CCN1c2ccccc2[C@](O)(CC(=O)c2ccc(Cl)cc2)C1=O ZINC000000299854 452557603 /nfs/dbraw/zinc/55/76/03/452557603.db2.gz JJFITTKCFGEHJI-LJQANCHMSA-N 0 0 341.794 3.333 50 30 EGEARN CC(O)=C1C(=O)C(=O)N(c2ccccc2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000000535238 452616037 /nfs/dbraw/zinc/61/60/37/452616037.db2.gz IFMLKNGOPSNUJP-MRXNPFEDSA-N 0 0 338.319 3.084 50 30 EGEARN N#Cc1cc2c(nc1SCC(=O)Nc1cccc(F)c1)CCC2 ZINC000000803766 452634977 /nfs/dbraw/zinc/63/49/77/452634977.db2.gz LLWWOJIICWRSBK-UHFFFAOYSA-N 0 0 327.384 3.312 50 30 EGEARN COc1ccc(/C=N/N=C/c2ccc(OC)c(OC)c2)cc1OC ZINC000001653715 452671695 /nfs/dbraw/zinc/67/16/95/452671695.db2.gz DCROUMFSOORFPU-AYKLPDECSA-N 0 0 328.368 3.174 50 30 EGEARN CCOC(=O)CC(=O)CSc1nc(-c2ccccc2)ccc1C#N ZINC000003088091 452742632 /nfs/dbraw/zinc/74/26/32/452742632.db2.gz PSRXLGGVLAVANJ-UHFFFAOYSA-N 0 0 340.404 3.235 50 30 EGEARN COc1ccc(-c2nc(C#N)c(NCc3ccco3)o2)cc1OC ZINC000005157070 452840787 /nfs/dbraw/zinc/84/07/87/452840787.db2.gz LORUAOVBPXLECY-UHFFFAOYSA-N 0 0 325.324 3.436 50 30 EGEARN CCOC(=O)N1CCN(/C=C/C(=O)C23CC4CC(CC(C4)C2)C3)CC1 ZINC000006401753 452940842 /nfs/dbraw/zinc/94/08/42/452940842.db2.gz JSAVHNTUTCEBTO-ONEGZZNKSA-N 0 0 346.471 3.060 50 30 EGEARN C#CCN1C(=O)S/C(=C/c2ccc(Br)s2)C1=O ZINC000013748618 453489074 /nfs/dbraw/zinc/48/90/74/453489074.db2.gz CVVBQJARILLTOK-SOFGYWHQSA-N 0 0 328.212 3.180 50 30 EGEARN N#Cc1cccnc1SCC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000015019411 453552059 /nfs/dbraw/zinc/55/20/59/453552059.db2.gz SEPQZMVFQOFULS-UHFFFAOYSA-N 0 0 327.453 3.130 50 30 EGEARN COc1cccc(/C=C2/S/C(=N/c3ccccc3)NC2=O)c1O ZINC000016228121 453598178 /nfs/dbraw/zinc/59/81/78/453598178.db2.gz ADFMLBJWRQPWAY-GXDHUFHOSA-N 0 0 326.377 3.292 50 30 EGEARN COc1cc(NC=CC(=O)c2ccc3c(c2)OCO3)cc(OC)c1 ZINC000044842430 454122013 /nfs/dbraw/zinc/12/20/13/454122013.db2.gz ODNGDNPCOLECIR-AATRIKPKSA-N 0 0 327.336 3.241 50 30 EGEARN CC(=O)Nc1ccc(-c2cc(-c3c(C)n[nH]c3C)nc(N)c2C#N)cc1 ZINC000071440364 454207523 /nfs/dbraw/zinc/20/75/23/454207523.db2.gz HOGIDXJYXGUHAV-UHFFFAOYSA-N 0 0 346.394 3.168 50 30 EGEARN CCC(=O)Nc1cccc(-c2cc([C@@H]3CCOC3)c(C#N)c(N)n2)c1 ZINC000071736319 454212123 /nfs/dbraw/zinc/21/21/23/454212123.db2.gz UHUPMXLCGRPCPW-CYBMUJFWSA-N 0 0 336.395 3.055 50 30 EGEARN COc1cccc2c1ccn2CCC(=O)Nc1nnc(C2CC2)[nH]1 ZINC000095477842 454221492 /nfs/dbraw/zinc/22/14/92/454221492.db2.gz UPRGLQVACBQWNE-UHFFFAOYSA-N 0 0 325.372 3.324 50 30 EGEARN C=C(C)COc1ccc([C@H]2CC(=O)Oc3cc(C)[nH]c(=O)c32)cc1 ZINC000096114655 454286619 /nfs/dbraw/zinc/28/66/19/454286619.db2.gz JUQAPPIQTQKQII-OAHLLOKOSA-N 0 0 325.364 3.079 50 30 biogenic EGEARN COc1ccc(C(=O)[C@H](C#N)c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000096336535 454319767 /nfs/dbraw/zinc/31/97/67/454319767.db2.gz ZROVILKKXRSBII-OAHLLOKOSA-N 0 0 341.363 3.211 50 30 EGEARN C[C@@H]1CC(NCc2ccccc2)=CC(=O)[C@H]1C(=O)NCc1ccccc1 ZINC000100000759 454463528 /nfs/dbraw/zinc/46/35/28/454463528.db2.gz GLBNMIOAGOTENI-IERDGZPVSA-N 0 0 348.446 3.202 50 30 EGEARN COc1ccc(C(=O)C2=C(O)C(=O)N[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000104086414 454574412 /nfs/dbraw/zinc/57/44/12/454574412.db2.gz ABGGTNMUHGQYRI-DPEHCCBOSA-N 0 0 343.766 3.058 50 30 EGEARN C#CCSc1nnc(NC(=O)c2nc3ccccc3s2)s1 ZINC000042379298 518339999 /nfs/dbraw/zinc/33/99/99/518339999.db2.gz FSUOUNIRVYRBCW-UHFFFAOYSA-N 0 0 332.435 3.125 50 30 EGEARN C#CCn1c2ccc(OCC)cc2s/c1=N\C(=O)c1ccco1 ZINC000100875917 518343414 /nfs/dbraw/zinc/34/34/14/518343414.db2.gz HLPSMRSSVYSKKB-ZCXUNETKSA-N 0 0 326.377 3.069 50 30 EGEARN C=C(C)COc1c(CN(C)Cc2[nH]nc3c2CCC3)cccc1OC ZINC000055393323 518609168 /nfs/dbraw/zinc/60/91/68/518609168.db2.gz NIPQAWVRHSTBGB-UHFFFAOYSA-N 0 0 341.455 3.494 50 30 EGEARN CNC(=S)N=NCc1ccc(OCc2ccc(F)cc2)c(OC)c1 ZINC000001968827 523670638 /nfs/dbraw/zinc/67/06/38/523670638.db2.gz ULGNXSGIFLQJEP-KEBDBYFISA-N 0 0 347.415 3.252 50 30 EGEARN N#CCCn1cc(C(=O)NCc2ccccc2)c(-c2ccccc2)n1 ZINC000003355987 526468314 /nfs/dbraw/zinc/46/83/14/526468314.db2.gz FTJMZPMBOJTPSL-UHFFFAOYSA-N 0 0 330.391 3.394 50 30 EGEARN O[C@H](c1ccco1)C(N=Nc1nncc2ccccc21)c1ccco1 ZINC000030955045 527645444 /nfs/dbraw/zinc/64/54/44/527645444.db2.gz IUWGKLDDHDTTAN-XUMLYMLNSA-N 0 0 334.335 3.366 50 30 EGEARN O=S(=O)(N/N=C/c1c[nH]c2ccccc12)c1ccc(Cl)cc1 ZINC000000442081 1291019877 /nfs/dbraw/zinc/01/98/77/1291019877.db2.gz WBOFMESROCQMFQ-VCHYOVAHSA-N 0 0 333.800 3.134 50 30 EGEARN CC/N=C1/S/C(=C/C(=O)Nc2cccc(Cl)c2)C(=O)N1CC ZINC000004704087 210253514 /nfs/dbraw/zinc/25/35/14/210253514.db2.gz BFBHDXBOMFTERZ-VAOWDNLSSA-N 0 0 337.832 3.134 50 30 EGEARN C=CCOc1ccc(C(=O)N[C@@H](C)Cc2ccncc2)cc1OCC ZINC000055359106 214311818 /nfs/dbraw/zinc/31/18/18/214311818.db2.gz ZNAKQWBRYYFZSI-HNNXBMFYSA-N 0 0 340.423 3.406 50 30 EGEARN Cc1sc(NC(=O)CCS(=O)(=O)c2ccccc2)c(C#N)c1C ZINC000004570324 210223140 /nfs/dbraw/zinc/22/31/40/210223140.db2.gz YMQIOAXMHSOVPZ-UHFFFAOYSA-N 0 0 348.449 3.039 50 30 EGEARN CCOP(=O)(OCC)[C@H](C#N)c1c(F)c(F)nc(F)c1F ZINC000004548773 210219574 /nfs/dbraw/zinc/21/95/74/210219574.db2.gz ACOYGSVKZHBDHA-ZCFIWIBFSA-N 0 0 326.186 3.469 50 30 EGEARN COc1cc(C(=O)Nc2ccc(/C(C)=N\O)cc2)cc(OC)c1OC ZINC000100669734 219104255 /nfs/dbraw/zinc/10/42/55/219104255.db2.gz HVUBBUCBARPIJM-JAIQZWGSSA-N 0 0 344.367 3.163 50 30 EGEARN N#Cc1ccccc1C(=O)N1CCC([C@@H](O)Cc2ccccc2)CC1 ZINC000067650059 215174303 /nfs/dbraw/zinc/17/43/03/215174303.db2.gz RNGAICFTIULECX-FQEVSTJZSA-N 0 0 334.419 3.014 50 30 EGEARN C=CCN1C(=O)/C(=C\c2cc(Cl)cc(OC)c2O)SC1=S ZINC000002993842 209951982 /nfs/dbraw/zinc/95/19/82/209951982.db2.gz COJCGXMRZNTGPK-IZZDOVSWSA-N 0 0 341.841 3.441 50 30 EGEARN N#Cc1c(N)nc(-c2ccc(F)cc2)cc1-c1cccc(OCCO)c1 ZINC000067909666 215247906 /nfs/dbraw/zinc/24/79/06/215247906.db2.gz MSXDFOYXEMNPQY-UHFFFAOYSA-N 0 0 349.365 3.380 50 30 EGEARN CN1C(=O)N(C)[C@@H](c2cccc([N+](=O)[O-])c2)C2=C1CC(C)(C)CC2=O ZINC000000974761 282646994 /nfs/dbraw/zinc/64/69/94/282646994.db2.gz OESLMOPPNAGXHG-INIZCTEOSA-N 0 0 343.383 3.276 50 30 EGEARN CC(C)(C)OC(=O)N1CCC(NC(=O)Nc2cccc(C#N)c2)CC1 ZINC000040554022 213348736 /nfs/dbraw/zinc/34/87/36/213348736.db2.gz BHEOOAFCFICRGW-UHFFFAOYSA-N 0 0 344.415 3.079 50 30 EGEARN C=CCn1cc(-c2cc(-c3cnn(CCC)c3C)nc(N)c2C#N)cn1 ZINC000071422377 215773710 /nfs/dbraw/zinc/77/37/10/215773710.db2.gz KTTVVLXXALGRRD-UHFFFAOYSA-N 0 0 347.426 3.167 50 30 EGEARN N#Cc1cccc(N2CCC[C@@](CO)(Cc3ccc(F)cc3F)C2)n1 ZINC000071735744 215800335 /nfs/dbraw/zinc/80/03/35/215800335.db2.gz GZVGJBDORPVASG-LJQANCHMSA-N 0 0 343.377 3.053 50 30 EGEARN COc1cc(/C=N/c2ccc(N(C)C(C)=O)cc2)ccc1OC(C)=O ZINC000000062361 209395423 /nfs/dbraw/zinc/39/54/23/209395423.db2.gz QLCKWCRKTRCTPF-UDWIEESQSA-N 0 0 340.379 3.354 50 30 EGEARN N#Cc1cccc(C[NH+]2CCC(Oc3ccccc3)(C(=O)[O-])CC2)c1 ZINC000072432126 216225524 /nfs/dbraw/zinc/22/55/24/216225524.db2.gz MGTNMGAPIJGDJQ-UHFFFAOYSA-N 0 0 336.391 3.056 50 30 EGEARN C/C(=N\N1CCN(Cc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000019893910 212079324 /nfs/dbraw/zinc/07/93/24/212079324.db2.gz POPQCWHICGMKLR-CAPFRKAQSA-N 0 0 338.411 3.137 50 30 EGEARN Oc1ccc(/C=N/N2CCN(Cc3ccc(Cl)cc3)CC2)cc1 ZINC000019773220 212064189 /nfs/dbraw/zinc/06/41/89/212064189.db2.gz GQPOUWGKQMNNSZ-DEDYPNTBSA-N 0 0 329.831 3.197 50 30 EGEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1cccc(OC)c1 ZINC000019536078 212040051 /nfs/dbraw/zinc/04/00/51/212040051.db2.gz BMIDJDXRDZJFRM-GOSISDBHSA-N 0 0 341.407 3.226 50 30 EGEARN O=C1ON=C(c2ccc(Cl)cc2)/C1=C/c1ccc2c(c1)OCO2 ZINC000012436595 211380810 /nfs/dbraw/zinc/38/08/10/211380810.db2.gz BDYAXRKNUFVHHY-QPEQYQDCSA-N 0 0 327.723 3.413 50 30 EGEARN C=CCS(=O)(=O)N1CCC[C@@H](CCc2ccc(F)c(F)c2)C1 ZINC000012091364 211289381 /nfs/dbraw/zinc/28/93/81/211289381.db2.gz QWYQPPRPEQCCCN-AWEZNQCLSA-N 0 0 329.412 3.125 50 30 EGEARN O=C1CCCC2=Nc3nonc3N[C@H](c3ccc4ncccc4c3)C12 ZINC000012324639 296316929 /nfs/dbraw/zinc/31/69/29/296316929.db2.gz ZYQKYTHYQPANGM-MRXNPFEDSA-N 0 0 333.351 3.204 50 30 EGEARN COc1cc2nc(NC(=O)c3ccc(C#N)cc3)sc2cc1OC ZINC000005187317 210409327 /nfs/dbraw/zinc/40/93/27/210409327.db2.gz OCPFPNBHSMXEGY-UHFFFAOYSA-N 0 0 339.376 3.437 50 30 EGEARN COc1cccc(C=C(C)C(=O)c2c(C)cc(C)[nH]c2=O)c1OC ZINC000005123844 210394893 /nfs/dbraw/zinc/39/48/93/210394893.db2.gz FGGAVQHQJCHQIE-ZRDIBKRKSA-N 0 0 327.380 3.295 50 30 biogenic EGEARN O=C1CSC(=O)N1CC(=NNc1ccccc1)c1ccccc1 ZINC000005034905 210369899 /nfs/dbraw/zinc/36/98/99/210369899.db2.gz LZXXHZJKPMRWSE-CYVLTUHYSA-N 0 0 325.393 3.198 50 30 EGEARN Cc1ccc([C@@H]2CC(=O)NC3=C2C(=O)CC(C)(C)C3)cc1[N+](=O)[O-] ZINC000004912434 210320478 /nfs/dbraw/zinc/32/04/78/210320478.db2.gz LQNSGIGYVVTMSN-LBPRGKRZSA-N 0 0 328.368 3.150 50 30 EGEARN CCOC(=O)C=C(C)NNc1oc(-c2ccc(C)cc2)nc1C#N ZINC000004807581 210281546 /nfs/dbraw/zinc/28/15/46/210281546.db2.gz ZTWAXCCFRGSHAC-UDWIEESQSA-N 0 0 326.356 3.263 50 30 EGEARN C=CCN(C)c1ccc(C(=O)N2CCC[C@H](C(=O)CC(C)C)C2)cn1 ZINC000067714451 258010701 /nfs/dbraw/zinc/01/07/01/258010701.db2.gz NHQNXHPBZCWMDI-KRWDZBQOSA-N 0 0 343.471 3.171 50 30 EGEARN CCCN1c2ccccc2[C@@](O)(CC(=O)C=Cc2ccccc2)C1=O ZINC000004554668 258051112 /nfs/dbraw/zinc/05/11/12/258051112.db2.gz XKXUSLXGMBSVQH-SQZREULQSA-N 0 0 335.403 3.303 50 30 EGEARN O=C(C=Cc1ccccc1)Cc1nc2ccc([N+](=O)[O-])cc2oc1=O ZINC000100476755 258068794 /nfs/dbraw/zinc/06/87/94/258068794.db2.gz JTXVFZKNMFPVBU-IAPFJDDYSA-N 0 0 336.303 3.092 50 30 EGEARN Cn1c2ccccc2c(C#N)c1CN1CCN(c2ccccc2)CC1 ZINC000054956619 132192779 /nfs/dbraw/zinc/19/27/79/132192779.db2.gz FPDMFXMAJZZYRA-UHFFFAOYSA-N 0 0 330.435 3.372 50 30 EGEARN CC[C@@H]1C2=C(CC(C)(C)CC2=O)Nc2ccccc2N1CC(=O)NC ZINC000010343850 286989414 /nfs/dbraw/zinc/98/94/14/286989414.db2.gz HNASXRCHKGGYNZ-OAHLLOKOSA-N 0 0 341.455 3.086 50 30 EGEARN C[C@@H](O)[C@H]1CC[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC(=O)[C@]12C ZINC000035241578 287114859 /nfs/dbraw/zinc/11/48/59/287114859.db2.gz AXIMAQIOARWDAI-LYJJHTRHSA-N 0 0 328.452 3.470 50 30 biogenic EGEARN C=CCn1ncc(-c2c3c(nc(N)c2C#N)-c2ccc(O)cc2C3)c1C ZINC000071763998 275435597 /nfs/dbraw/zinc/43/55/97/275435597.db2.gz YTWHKQPXNNGIPA-UHFFFAOYSA-N 0 0 343.390 3.170 50 30 EGEARN CCOC(=O)c1c(N)sc2c1CC[C@@](C#N)(c1ccccc1)C2 ZINC000000287356 276296918 /nfs/dbraw/zinc/29/69/18/276296918.db2.gz UXAPCTLVLBWJTE-GOSISDBHSA-N 0 0 326.421 3.457 50 30 EGEARN C=C(C)COc1ccccc1C(=O)N(C)[C@H](COC)c1ccccn1 ZINC000055119450 276864176 /nfs/dbraw/zinc/86/41/76/276864176.db2.gz VRDPUUANZQVVFS-GOSISDBHSA-N 0 0 340.423 3.496 50 30 EGEARN CN1C(=O)C[C@H](c2ccc([N+](=O)[O-])cc2)C2=C1CC(C)(C)CC2=O ZINC000000226719 289842582 /nfs/dbraw/zinc/84/25/82/289842582.db2.gz IDPPEDDMOJOGDC-CYBMUJFWSA-N 0 0 328.368 3.184 50 30 EGEARN COc1cccc([C@@H]2Nc3nonc3N=C3CC(C)(C)CC(=O)C32)c1 ZINC000012408605 295320613 /nfs/dbraw/zinc/32/06/13/295320613.db2.gz RKMAUOBCBKBZPN-HNNXBMFYSA-N 0 0 340.383 3.300 50 30 EGEARN O=[N+]([O-])c1ccccc1C=NN1CCN(c2ccc(Cl)cc2)CC1 ZINC000239038737 455260125 /nfs/dbraw/zinc/26/01/25/455260125.db2.gz DVAKTGFHOXUGRT-UHFFFAOYSA-N 0 0 344.802 3.404 50 30 EGEARN COc1cc(/C=N/NC(=S)Nc2ccccc2)cc(OC)c1OC ZINC000000234589 452544301 /nfs/dbraw/zinc/54/43/01/452544301.db2.gz AIBMIQGSVBRQNH-WOJGMQOQSA-N 0 0 345.424 3.033 50 30 EGEARN N#Cc1c2ncn(Cc3ccccc3Cl)c(=O)c2n2c1CCCC2 ZINC000000478654 452604683 /nfs/dbraw/zinc/60/46/83/452604683.db2.gz RTWDFEVICFSTIG-UHFFFAOYSA-N 0 0 338.798 3.108 50 30 EGEARN N#CC(C#N)=c1ccc2c(c1)N1C3=C(CCCC3)C[C@@H]3CCCC[C@@]31N=2 ZINC000000494034 452608674 /nfs/dbraw/zinc/60/86/74/452608674.db2.gz JFTMWZCGZPOWHG-AVRDEDQJSA-N 0 0 342.446 3.442 50 30 EGEARN N#Cc1nc(Cc2ccccc2)oc1N1CCN(c2ccccc2)CC1 ZINC000000539685 452617930 /nfs/dbraw/zinc/61/79/30/452617930.db2.gz DBZJZMNGDWRLGR-UHFFFAOYSA-N 0 0 344.418 3.464 50 30 EGEARN Cc1snc(S(=O)(=O)Cc2c(F)cccc2Cl)c1C#N ZINC000001395852 452660094 /nfs/dbraw/zinc/66/00/94/452660094.db2.gz BCEMJKFYFHBGJX-UHFFFAOYSA-N 0 0 330.793 3.090 50 30 EGEARN N#Cc1cccc(NC(=O)CSc2nnc(-c3cccs3)o2)c1 ZINC000003475090 452769937 /nfs/dbraw/zinc/76/99/37/452769937.db2.gz FLBBIZISYCHWSF-UHFFFAOYSA-N 0 0 342.405 3.401 50 30 EGEARN O=C1c2ccccc2N[C@@H](c2c(F)c(F)c(F)c(F)c2F)N1O ZINC000004244701 452797049 /nfs/dbraw/zinc/79/70/49/452797049.db2.gz PEPFANHCDNJQAE-CYBMUJFWSA-N 0 0 330.212 3.338 50 30 EGEARN COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)cc2)ccc1O ZINC000005115722 452837900 /nfs/dbraw/zinc/83/79/00/452837900.db2.gz HJTVQHVGMGKONQ-LUZURFALSA-N 0 0 338.359 3.361 50 30 endogenous,in-man EGEARN Cc1ccc2nc(C3C(O)=CN([C@@H](C)c4ccccc4)C3=N)[nH]c2c1 ZINC000005182871 452842779 /nfs/dbraw/zinc/84/27/79/452842779.db2.gz UJMANQWFJVPDLK-ZDUSSCGKSA-N 0 0 332.407 3.145 50 30 EGEARN NC(=S)N/N=C/c1ccccc1OCc1c(F)cccc1Cl ZINC000005236840 452850242 /nfs/dbraw/zinc/85/02/42/452850242.db2.gz IIAGDIZRPHXRJK-UFWORHAWSA-N 0 0 337.807 3.225 50 30 EGEARN COc1ccc([C@H]2NC(=S)NC(C)=C2C(C)=O)c2ccccc12 ZINC000005950321 452912823 /nfs/dbraw/zinc/91/28/23/452912823.db2.gz AGTJHYXKFCZKKL-QGZVFWFLSA-N 0 0 326.421 3.230 50 30 EGEARN CC(=O)C1=C(C)NC(=O)N[C@H]1c1ccccc1OCc1ccccc1 ZINC000006022667 452915892 /nfs/dbraw/zinc/91/58/92/452915892.db2.gz DYHQKARICUSVLA-IBGZPJMESA-N 0 0 336.391 3.483 50 30 EGEARN C=CCN1C(=O)/C(=C/c2ccc(N(C)CCC#N)cc2)SC1=S ZINC000007156091 453036975 /nfs/dbraw/zinc/03/69/75/453036975.db2.gz ZSAQOTSWQWBZCA-QINSGFPZSA-N 0 0 343.477 3.424 50 30 EGEARN COc1cccc(/C=C/c2nc(C#N)c(NC[C@H]3CCCO3)o2)c1 ZINC000008494544 453209665 /nfs/dbraw/zinc/20/96/65/453209665.db2.gz KPGLUCOCXIIUER-MVGZEHJDSA-N 0 0 325.368 3.316 50 30 EGEARN CC1(C)CC(=O)C2=C(C1)Nc1[nH][nH]c(=O)c1[C@H]2c1cccc(O)c1 ZINC000012348623 453356106 /nfs/dbraw/zinc/35/61/06/453356106.db2.gz RLJJQHARPJUDOA-ZDUSSCGKSA-N 0 0 325.368 3.022 50 30 EGEARN CS(=O)(=O)Oc1ccc2c(c1)O/C(=C\C=C\c1ccccc1)C2=O ZINC000013477976 453466528 /nfs/dbraw/zinc/46/65/28/453466528.db2.gz LLKOIOPUDUDOFR-FJGPGAONSA-N 0 0 342.372 3.197 50 30 EGEARN Cn1ccnc1SCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000014067062 453501235 /nfs/dbraw/zinc/50/12/35/453501235.db2.gz ADVSSJHVDIACKU-UHFFFAOYSA-N 0 0 346.481 3.353 50 30 EGEARN C=CCN1C(=O)/C(=C\c2ccc(Br)o2)SC1=S ZINC000015011426 453550408 /nfs/dbraw/zinc/55/04/08/453550408.db2.gz SNVFRDZNVBEYKO-SOFGYWHQSA-N 0 0 330.228 3.429 50 30 EGEARN N#Cc1ccccc1NC(=O)C1CCN(C(=O)c2cccs2)CC1 ZINC000016647893 453618378 /nfs/dbraw/zinc/61/83/78/453618378.db2.gz VXLCZCYSXOYFSP-UHFFFAOYSA-N 0 0 339.420 3.111 50 30 EGEARN NC(=O)COc1ccc(/C=N/c2ccc(Br)cc2)cc1 ZINC000018023700 453641349 /nfs/dbraw/zinc/64/13/49/453641349.db2.gz VYSVXRCXRRQWDX-GIJQJNRQSA-N 0 0 333.185 3.064 50 30 EGEARN C=C1[C@H](C(=O)Nc2ccccc2F)[C@@H]1C(=O)Nc1ccccc1F ZINC000018090014 453643522 /nfs/dbraw/zinc/64/35/22/453643522.db2.gz MGKPWIQRHNFDDV-IYBDPMFKSA-N 0 0 328.318 3.344 50 30 EGEARN Cc1ccc(C)c(NC(=O)c2sc3nc(N)c(C#N)cc3c2N)c1 ZINC000018191080 453646885 /nfs/dbraw/zinc/64/68/85/453646885.db2.gz GMVQCKOQAUFSSO-UHFFFAOYSA-N 0 0 337.408 3.202 50 30 EGEARN CC1(C)CC(=O)C2C(=Nc3ncnn3[C@H]2c2ccnc3ccccc32)C1 ZINC000018200899 453647888 /nfs/dbraw/zinc/64/78/88/453647888.db2.gz XXSVDRNZXBXDRG-SFHVURJKSA-N 0 0 345.406 3.484 50 30 EGEARN N#CCN1C(=O)COc2ccc(-c3csc(-c4ccccn4)n3)cc21 ZINC000040602395 453953254 /nfs/dbraw/zinc/95/32/54/453953254.db2.gz RMGHEFMYYIMOCB-UHFFFAOYSA-N 0 0 348.387 3.121 50 30 EGEARN N#Cc1cccc(-c2nc([C@H]3CC(=O)N(c4cccc(F)c4)C3)no2)c1 ZINC000044213960 454092189 /nfs/dbraw/zinc/09/21/89/454092189.db2.gz JKEFWHNRFAUVSU-AWEZNQCLSA-N 0 0 348.337 3.268 50 30 EGEARN CCCCc1nc(-c2cc(-c3c(C)n[nH]c3C)nc(N)c2C#N)c[nH]1 ZINC000071479690 454207415 /nfs/dbraw/zinc/20/74/15/454207415.db2.gz LQKLTJTZQQANQX-UHFFFAOYSA-N 0 0 335.415 3.275 50 30 EGEARN CCCCCCCCCCOCCOCCOCCOCCO ZINC000071788551 454218219 /nfs/dbraw/zinc/21/82/19/454218219.db2.gz ASMWIUUCZFNLHL-UHFFFAOYSA-N 0 0 334.497 3.186 50 30 EGEARN C=C[C@@](C)(C=O)C[C@H]1O[C@@H](C#N)[C@@]23C(=O)CC[C@@H]2CC[C@@H](C)[C@@]13C ZINC000071786308 454218398 /nfs/dbraw/zinc/21/83/98/454218398.db2.gz BWHCUUHAFYWNOR-KLOPSHJNSA-N 0 0 329.440 3.460 50 30 EGEARN COc1c(O)c(/C=C/C(=O)c2ccccc2)c(OC)c(OC)c1OC ZINC000095933341 454233462 /nfs/dbraw/zinc/23/34/62/454233462.db2.gz WKHFCYYMOLJMDZ-ZHACJKMWSA-N 0 0 344.363 3.323 50 30 biogenic EGEARN Cc1noc2c1[C@@H](c1ccc([N+](=O)[O-])cc1)C1=C(CCCC1=O)N2 ZINC000072332311 454294724 /nfs/dbraw/zinc/29/47/24/454294724.db2.gz SYHWNYHBUODQOM-OAHLLOKOSA-N 0 0 325.324 3.456 50 30 EGEARN CC(=O)C(N=Nc1ccccc1)[C@H](c1ccccc1)N1CCOCC1 ZINC000096319115 454319453 /nfs/dbraw/zinc/31/94/53/454319453.db2.gz AEFBZVQDUUIDJG-UUZBPDLYSA-N 0 0 337.423 3.117 50 30 EGEARN N#CC1CC[NH+](Cc2ccc(OCc3ccc(C(=O)[O-])o3)cc2)CC1 ZINC000097259139 454429377 /nfs/dbraw/zinc/42/93/77/454429377.db2.gz PKLMKZXZSPRNSB-UHFFFAOYSA-N 0 0 340.379 3.292 50 30 EGEARN N#Cc1nc(-c2ccccc2)oc1S(=O)(=O)Cc1ccccc1C#N ZINC000170623821 454943691 /nfs/dbraw/zinc/94/36/91/454943691.db2.gz XOVMTRKOIODDKB-UHFFFAOYSA-N 0 0 349.371 3.059 50 30 EGEARN N#C[C@H]1CCCN(C(=O)NCc2csc(-c3ccccc3)n2)C1 ZINC000426505891 457845499 /nfs/dbraw/zinc/84/54/99/457845499.db2.gz SBTSSRRDCKIDKR-CYBMUJFWSA-N 0 0 326.425 3.255 50 30 EGEARN N#Cc1cc(-c2ccc(C(=O)N3CCCC[C@H]3CO)cc2)ccc1F ZINC000426627886 457866182 /nfs/dbraw/zinc/86/61/82/457866182.db2.gz ZDLMNQMWKMBWQI-SFHVURJKSA-N 0 0 338.382 3.351 50 30 EGEARN CC(=O)N1CCC(C(=O)O[C@H](C)CCCC#C[Si](C)(C)C)CC1 ZINC000585135751 459828116 /nfs/dbraw/zinc/82/81/16/459828116.db2.gz ABGHPUUGWOJZKE-OAHLLOKOSA-N 0 0 337.536 3.228 50 30 EGEARN C=CCN1c2ccccc2[C@](O)(CC(=O)C=Cc2ccccc2)C1=O ZINC000000299876 518879314 /nfs/dbraw/zinc/87/93/14/518879314.db2.gz KLNMNCREQVFYHE-JNCYCUAHSA-N 0 0 333.387 3.079 50 30 EGEARN CCOC(=O)/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(C)=O ZINC000004838094 520393764 /nfs/dbraw/zinc/39/37/64/520393764.db2.gz OOYTZKYISRASMM-GDNBJRDFSA-N 0 0 329.308 3.390 50 30 EGEARN COc1cc(C=Nc2nc[nH]n2)ccc1OCCOc1ccccc1 ZINC000004182131 522002782 /nfs/dbraw/zinc/00/27/82/522002782.db2.gz LYEVHIJZOMQUJU-XDHOZWIPSA-N 0 0 338.367 3.022 50 30 EGEARN COc1ccc(/C=C/C(=O)C2CC2)cc1Cn1nnc2ccccc21 ZINC000000508187 523382088 /nfs/dbraw/zinc/38/20/88/523382088.db2.gz HZANMKPLXFVBHW-UXBLZVDNSA-N 0 0 333.391 3.481 50 30 EGEARN COc1ccc(/C=N/n2cncn2)cc1COc1ccc(F)cc1F ZINC000000500167 523458799 /nfs/dbraw/zinc/45/87/99/523458799.db2.gz GGKJJDPGVRNOCA-ODCIPOBUSA-N 0 0 344.321 3.026 50 30 EGEARN NC(=O)c1cccc(NC=CC(=O)c2ccc(Br)cc2)c1 ZINC000051318593 214089036 /nfs/dbraw/zinc/08/90/36/214089036.db2.gz ISVPFBJFKIBOBN-CMDGGOBGSA-N 0 0 345.196 3.357 50 30 EGEARN Cc1nn(C)c(C)c1CN(C(=O)c1cc(F)cc(C#N)c1)C(C)C ZINC000055211580 214290309 /nfs/dbraw/zinc/29/03/09/214290309.db2.gz CBLWLLYUSISKHH-UHFFFAOYSA-N 0 0 328.391 3.099 50 30 EGEARN CN(C)C(=O)CSc1nc(-c2ccc(Cl)cc2)ccc1C#N ZINC000004608165 210230712 /nfs/dbraw/zinc/23/07/12/210230712.db2.gz CUOMHHYDOOPYCM-UHFFFAOYSA-N 0 0 331.828 3.454 50 30 EGEARN Cc1c(N/N=C2/c3ccccc3N=C2C)c(=O)n(-c2ccccc2)n1C ZINC000100556902 219101822 /nfs/dbraw/zinc/10/18/22/219101822.db2.gz FJTUWSMBSWFJGJ-RELWKKBWSA-N 0 0 345.406 3.407 50 30 EGEARN CCOC(=O)c1c(C)[nH]c(N=Nc2ccc(OC(F)F)cc2)c1C ZINC000100812717 219108270 /nfs/dbraw/zinc/10/82/70/219108270.db2.gz NWKIBPGSLNSWLM-STZFKDTASA-N 0 0 337.326 3.368 50 30 EGEARN C=CCOc1ccc(C=C2C(=O)OC(C)(C(C)(C)C)OC2=O)cc1 ZINC000004151859 210133561 /nfs/dbraw/zinc/13/35/61/210133561.db2.gz FEECVVKJCZJNBT-UHFFFAOYSA-N 0 0 330.380 3.497 50 30 EGEARN CCN(CC)C(=O)C(=O)c1cccn1-c1c(Cl)cccc1C#N ZINC000004054863 210109246 /nfs/dbraw/zinc/10/92/46/210109246.db2.gz XSBRMDDDJBSOLF-UHFFFAOYSA-N 0 0 329.787 3.053 50 30 EGEARN C=CCOc1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](O)C3)c(OCC=C)c1 ZINC000102813318 219232165 /nfs/dbraw/zinc/23/21/65/219232165.db2.gz DSJKIJLUWRTAIM-PIIMJCKOSA-N 0 0 329.440 3.304 50 30 EGEARN C=CCn1c(SCC(N)=O)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000003283704 209997030 /nfs/dbraw/zinc/99/70/30/209997030.db2.gz SIRRMKABFYOKJE-UHFFFAOYSA-N 0 0 330.457 3.006 50 30 EGEARN N#Cc1ccc(C(=O)OCC(=O)Nc2ccc(Cl)cc2F)cc1 ZINC000003239058 209984835 /nfs/dbraw/zinc/98/48/35/209984835.db2.gz SBCGPAHBUWASFW-UHFFFAOYSA-N 0 0 332.718 3.146 50 30 EGEARN N#Cc1c(N)nc(C2CC2)cc1-c1cccnc1OCC(F)(F)F ZINC000067688573 215184165 /nfs/dbraw/zinc/18/41/65/215184165.db2.gz MVLFBOGVFCNNAG-UHFFFAOYSA-N 0 0 334.301 3.416 50 30 EGEARN CC(C)c1ncc(-c2cc(-c3ccc(O)cc3)nc(N)c2C#N)cn1 ZINC000067934580 215252861 /nfs/dbraw/zinc/25/28/61/215252861.db2.gz HHBGCLKMSWUDQO-UHFFFAOYSA-N 0 0 331.379 3.488 50 30 EGEARN Cn1ncc(-c2cc(-c3cccc(O)c3)nc(N)c2C#N)c1C1CC1 ZINC000067974905 215263668 /nfs/dbraw/zinc/26/36/68/215263668.db2.gz PYTIWPOPYKMMED-UHFFFAOYSA-N 0 0 331.379 3.186 50 30 EGEARN C=CCN(CC=C)C(=S)NC(=O)c1ccccc1Br ZINC000002136612 209823652 /nfs/dbraw/zinc/82/36/52/209823652.db2.gz BOWVHRBJKNFXHE-UHFFFAOYSA-N 0 0 339.258 3.138 50 30 EGEARN COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1cccc(Cl)c1 ZINC000013285534 290922758 /nfs/dbraw/zinc/92/27/58/290922758.db2.gz UZOYBHVFOIKSOZ-INIZCTEOSA-N 0 0 331.799 3.481 50 30 EGEARN CC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OC1CCCC1 ZINC000001127036 209711212 /nfs/dbraw/zinc/71/12/12/209711212.db2.gz IMHGJCRMFBJJBY-QGZVFWFLSA-N 0 0 330.453 3.390 50 30 EGEARN NC(=O)c1c(/N=C/c2ccccc2[N+](=O)[O-])sc2c1CCCC2 ZINC000000580360 209671669 /nfs/dbraw/zinc/67/16/69/209671669.db2.gz ABRSZJDFFLOVTR-GIJQJNRQSA-N 0 0 329.381 3.385 50 30 EGEARN N#Cc1c2c(sc1N1C(=O)C=CC1=O)C[C@H](c1ccccc1)CC2 ZINC000022866922 283082300 /nfs/dbraw/zinc/08/23/00/283082300.db2.gz JUWZLAKOOZBZCR-CYBMUJFWSA-N 0 0 334.400 3.322 50 30 EGEARN N#Cc1ccc([C@H]2CC(=O)Nc3c2ncn3-c2ccc(F)cc2)cc1 ZINC000036357284 213089077 /nfs/dbraw/zinc/08/90/77/213089077.db2.gz UVZXADANCTXZGR-MRXNPFEDSA-N 0 0 332.338 3.357 50 30 EGEARN C#CCOc1cccc([C@@H]2CC(=O)Nc3nc(NCC)sc32)c1 ZINC000035324928 213021743 /nfs/dbraw/zinc/02/17/43/213021743.db2.gz OHDXQHFOELNNPP-ZDUSSCGKSA-N 0 0 327.409 3.061 50 30 EGEARN CO[C@@](F)(C(=O)Nc1c(F)c(F)c(F)c(F)c1F)C(F)(F)F ZINC000033355522 212929985 /nfs/dbraw/zinc/92/99/85/212929985.db2.gz NURBVHMQIKPDIY-VIFPVBQESA-N 0 0 341.129 3.195 50 30 EGEARN CCn1cc(CN(C)Cc2cnn(-c3cccc(OC)c3)c2)cc1C#N ZINC000072121943 216015064 /nfs/dbraw/zinc/01/50/64/216015064.db2.gz WYJAFNRPHNNBBP-UHFFFAOYSA-N 0 0 349.438 3.206 50 30 EGEARN N#Cc1ccccc1NC(=O)CCCC(=O)Nc1ccccc1C#N ZINC000000142593 209447674 /nfs/dbraw/zinc/44/76/74/209447674.db2.gz BSKNOFFWHYNOCQ-UHFFFAOYSA-N 0 0 332.363 3.177 50 30 EGEARN Cc1cc([O-])c(C[NH+]2CCCC2)c2c1C(=O)/C(=C/c1ccncc1)O2 ZINC000020589012 212150075 /nfs/dbraw/zinc/15/00/75/212150075.db2.gz DJZDTEQZDPRZCN-BOPFTXTBSA-N 0 0 336.391 3.308 50 30 EGEARN C=CCSc1nc(N)c(C(=O)Nc2cccc(F)c2)cc1C#N ZINC000020388233 212124520 /nfs/dbraw/zinc/12/45/20/212124520.db2.gz KCEMEDOTMHWCJF-UHFFFAOYSA-N 0 0 328.372 3.205 50 30 EGEARN C=CCN1CCN(C(=O)c2cc(Br)c(CC)s2)CC1 ZINC000020191201 212109363 /nfs/dbraw/zinc/10/93/63/212109363.db2.gz HIEUXEGYRBYQEI-UHFFFAOYSA-N 0 0 343.290 3.017 50 30 EGEARN Cc1ccccc1NC(=O)N1CCCN(c2ccc(C#N)cn2)CC1 ZINC000019924738 212084866 /nfs/dbraw/zinc/08/48/66/212084866.db2.gz MLXCIQDWCLTVTE-UHFFFAOYSA-N 0 0 335.411 3.006 50 30 EGEARN COc1ccc(OC)c([C@@H]2CCN(C(=O)c3cccc(C#N)c3)C2)c1 ZINC000077542262 216934280 /nfs/dbraw/zinc/93/42/80/216934280.db2.gz VXRXYCKFHGXAGE-MRXNPFEDSA-N 0 0 336.391 3.205 50 30 EGEARN COc1ccc(OCc2ccc(-c3nc(C#N)c(N(C)C)o3)o2)cc1 ZINC000012418964 211375304 /nfs/dbraw/zinc/37/53/04/211375304.db2.gz DZFXUQUYAPCAOX-UHFFFAOYSA-N 0 0 339.351 3.460 50 30 EGEARN N#Cc1ccc(C(=O)Nc2nnc(CSc3ccccc3)o2)cc1 ZINC000010689741 211185997 /nfs/dbraw/zinc/18/59/97/211185997.db2.gz SKZKLDSXBQFJNY-UHFFFAOYSA-N 0 0 336.376 3.486 50 30 EGEARN C=CCOc1cccc(-c2nn3c(nnc3-c3ccccn3)s2)c1 ZINC000010312387 211162704 /nfs/dbraw/zinc/16/27/04/211162704.db2.gz FWQGKCUCPHVWKG-UHFFFAOYSA-N 0 0 335.392 3.480 50 30 EGEARN Cc1cc(/N=C/c2c(O)c(C)ncc2CO)ccc1Br ZINC000005110616 210391901 /nfs/dbraw/zinc/39/19/01/210391901.db2.gz PDRNWJWKTHAPFP-CNHKJKLMSA-N 0 0 335.201 3.409 50 30 EGEARN CC/C(=N\NS(=O)(=O)c1ccc(C)cc1)c1ccc(OC)cc1 ZINC000005094421 210388846 /nfs/dbraw/zinc/38/88/46/210388846.db2.gz DJQLNQZGMGAODV-ISLYRVAYSA-N 0 0 332.425 3.096 50 30 EGEARN CCOc1cc([C@H]2CC(=O)NC3=C2C(=O)CCC3)ccc1OC(C)C ZINC000004915077 210322414 /nfs/dbraw/zinc/32/24/14/210322414.db2.gz OUSFZFRCKRKVRP-CQSZACIVSA-N 0 0 343.423 3.483 50 30 EGEARN O=C1N/C(=N\N=C\c2ccco2)S[C@@H]1Cc1cccc(Cl)c1 ZINC000004866437 210306966 /nfs/dbraw/zinc/30/69/66/210306966.db2.gz YDYRFTKISCGOEC-LFMVTYOGSA-N 0 0 333.800 3.097 50 30 EGEARN CCSC1=N/C(=C\c2ccc(OC(C)=O)c(OC)c2)C(=O)S1 ZINC000004755440 210272933 /nfs/dbraw/zinc/27/29/33/210272933.db2.gz GDZODYYJAIOZCZ-XFFZJAGNSA-N 0 0 337.422 3.344 50 30 EGEARN Cc1nc([C@@H]2CCOC2)cc(N2CCC(C#N)(c3ccccc3)CC2)n1 ZINC000426634320 257960243 /nfs/dbraw/zinc/96/02/43/257960243.db2.gz PTPIMYYFYRZJOA-QGZVFWFLSA-N 0 0 348.450 3.351 50 30 EGEARN CC(=O)N[C@H]1C(=O)C[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000253498258 257999051 /nfs/dbraw/zinc/99/90/51/257999051.db2.gz IGQWGSCTFRUHTN-ISDIOFJSSA-N 0 0 343.467 3.202 50 30 EGEARN CCOC(=O)COc1ccc2c(c1)O/C(=C\c1cccs1)C2=O ZINC000009530683 258002923 /nfs/dbraw/zinc/00/29/23/258002923.db2.gz KWAUXTUODDFPAT-DHDCSXOGSA-N 0 0 330.361 3.306 50 30 EGEARN C=CCOc1c(Cl)cc(C(=O)NCCc2c[nH]cn2)cc1Cl ZINC000055042384 258014657 /nfs/dbraw/zinc/01/46/57/258014657.db2.gz GEFZGYXVTFODLL-UHFFFAOYSA-N 0 0 340.210 3.254 50 30 EGEARN CSc1nc(N2CCOCC2)c2c(c1C#N)CC(C)(C)SC2 ZINC000020263191 274189429 /nfs/dbraw/zinc/18/94/29/274189429.db2.gz VFQKQBRAQFOGSO-UHFFFAOYSA-N 0 0 335.498 3.080 50 30 EGEARN Cc1cccc(-c2cc3ncnc(-n4ncc(C#N)c4N)c3s2)c1 ZINC000019797084 274788800 /nfs/dbraw/zinc/78/88/00/274788800.db2.gz UEHFXFMDWMMLJC-UHFFFAOYSA-N 0 0 332.392 3.306 50 30 EGEARN N#Cc1cccc(N2Cc3cc(Br)ccc3OCC2=O)c1 ZINC000075165450 274927960 /nfs/dbraw/zinc/92/79/60/274927960.db2.gz LOLQRQZPIFKQBN-UHFFFAOYSA-N 0 0 343.180 3.246 50 30 EGEARN C=CCNC(=O)c1cc2c(=O)c3ccccc3oc2nc1C(F)(F)F ZINC000003015967 275431849 /nfs/dbraw/zinc/43/18/49/275431849.db2.gz VQFUAPWITWTNGM-UHFFFAOYSA-N 0 0 348.280 3.276 50 30 EGEARN CC(C)c1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3nnnn32)cc1 ZINC000009260907 280624385 /nfs/dbraw/zinc/62/43/85/280624385.db2.gz QKVKYDYLBMCZMJ-KRWDZBQOSA-N 0 0 337.427 3.455 50 30 EGEARN CN(C)N1C(=O)C[C@@H](c2ccccc2F)C2=C1CC(C)(C)CC2=O ZINC000001422739 289227628 /nfs/dbraw/zinc/22/76/28/289227628.db2.gz WAKMBWRNCKWQBL-ZDUSSCGKSA-N 0 0 330.403 3.261 50 30 EGEARN COc1ccccc1[C@@H]1Nc2nonc2N=C2CC(C)(C)CC(=O)C21 ZINC000012390455 295395834 /nfs/dbraw/zinc/39/58/34/295395834.db2.gz GKRRZXYTXRUJIC-HNNXBMFYSA-N 0 0 340.383 3.300 50 30 EGEARN Oc1ccc(C=NN2C(=S)N=NC2c2ccc(Cl)cc2)c(O)c1 ZINC000239174168 455261046 /nfs/dbraw/zinc/26/10/46/455261046.db2.gz PKIQGRJZAFBQMT-UHFFFAOYSA-N 0 0 346.799 3.181 50 30 EGEARN CCOc1cccc(C=NN2C(=S)N=NC2c2ccccc2)c1O ZINC000239203401 455261092 /nfs/dbraw/zinc/26/10/92/455261092.db2.gz SHXNNJYUVQVXKK-UHFFFAOYSA-N 0 0 340.408 3.220 50 30 EGEARN N#Cc1c(NC(=S)NC(=O)c2ccccc2)sc2c1CCC2 ZINC000000173703 452527421 /nfs/dbraw/zinc/52/74/21/452527421.db2.gz OMXAWDLXQJAZRU-UHFFFAOYSA-N 0 0 327.434 3.235 50 30 EGEARN CCOc1ccccc1[C@@H]1C2C(=O)CC(C)(C)CC2=Nc2ncnn21 ZINC000000222547 452540827 /nfs/dbraw/zinc/54/08/27/452540827.db2.gz IYSJXYJCMTXCBA-QGZVFWFLSA-N 0 0 338.411 3.335 50 30 EGEARN N#Cc1c(SCC(N)=O)nc(-c2cccs2)cc1C(F)(F)F ZINC000000283341 452554765 /nfs/dbraw/zinc/55/47/65/452554765.db2.gz LNLIHASOZZDHMS-UHFFFAOYSA-N 0 0 343.355 3.278 50 30 EGEARN CN1C(=O)C[C@H](c2cccc([N+](=O)[O-])c2)C2=C1CC(C)(C)CC2=O ZINC000000439517 452592978 /nfs/dbraw/zinc/59/29/78/452592978.db2.gz HIHOQKIDZXKGGT-CYBMUJFWSA-N 0 0 328.368 3.184 50 30 EGEARN COc1ccc(C(=O)CSc2nc(C)ccc2C#N)cc1OC ZINC000000614430 452631812 /nfs/dbraw/zinc/63/18/12/452631812.db2.gz LCCWGIWUYRPOPJ-UHFFFAOYSA-N 0 0 328.393 3.254 50 30 EGEARN Oc1ccccc1C=NN1C(=S)N=NC1c1ccccc1Cl ZINC000001275149 452650330 /nfs/dbraw/zinc/65/03/30/452650330.db2.gz LBJXTNKRBYEIPB-RQZCQDPDSA-N 0 0 330.800 3.475 50 30 EGEARN O=C1CS/C(=N/N=C/c2ccccc2)N1Cc1ccc(F)cc1 ZINC000002360045 452696069 /nfs/dbraw/zinc/69/60/69/452696069.db2.gz YWQJIXHGWKYBAB-HPCQOMFASA-N 0 0 327.384 3.291 50 30 EGEARN COc1ccc(NC(=O)CSc2nc(C)cc(C)c2C#N)cc1 ZINC000002821013 452727302 /nfs/dbraw/zinc/72/73/02/452727302.db2.gz RNXHXSXRUWCGGX-UHFFFAOYSA-N 0 0 327.409 3.310 50 30 EGEARN CCc1ccc(/N=C2\c3ccccc3N(CN3CCOCC3)C2=O)cc1 ZINC000003067904 452742974 /nfs/dbraw/zinc/74/29/74/452742974.db2.gz MTCGTENZAUDUIF-LSDHQDQOSA-N 0 0 349.434 3.006 50 30 EGEARN N#Cc1c2c(sc1NC1=NS(=O)(=O)c3ccccc31)CCCC2 ZINC000003285370 452757938 /nfs/dbraw/zinc/75/79/38/452757938.db2.gz MZVOWUIBUDGQCA-UHFFFAOYSA-N 0 0 343.433 3.060 50 30 EGEARN S=C(N/N=C/c1ccc(Br)cc1)N1CCCCC1 ZINC000006471915 452946415 /nfs/dbraw/zinc/94/64/15/452946415.db2.gz DMLFSTOYYDTUGW-XNTDXEJSSA-N 0 0 326.263 3.143 50 30 EGEARN CC(=O)C(=NNc1ccc([N+](=O)[O-])cc1)N1CCCc2ccccc21 ZINC000013142478 453449999 /nfs/dbraw/zinc/44/99/99/453449999.db2.gz CGVOPGFFYAKNBF-ZZEZOPTASA-N 0 0 338.367 3.362 50 30 EGEARN Cc1ccc(S(=O)(=O)/N=C(/c2ccc(Cl)cc2)N(C)C)cc1 ZINC000015856840 453587264 /nfs/dbraw/zinc/58/72/64/453587264.db2.gz QEIQMXAWEUKIRW-VLGSPTGOSA-N 0 0 336.844 3.346 50 30 EGEARN CSc1nc(NC[C@H]2CCCO2)c(C#N)c(-c2ccccc2)n1 ZINC000015859785 453587898 /nfs/dbraw/zinc/58/78/98/453587898.db2.gz BFFPCYSHRWQVAH-CYBMUJFWSA-N 0 0 326.425 3.328 50 30 EGEARN Cc1[nH]c2ccccc2c1/C=N\NS(=O)(=O)c1ccc(C)c(C)c1 ZINC000017071426 453628720 /nfs/dbraw/zinc/62/87/20/453628720.db2.gz YZMKVLVAMDZDLM-ODLFYWEKSA-N 0 0 341.436 3.406 50 30 EGEARN COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccccc1Cl ZINC000019315004 453656324 /nfs/dbraw/zinc/65/63/24/453656324.db2.gz WUFDQBHZZWKXNM-INIZCTEOSA-N 0 0 331.799 3.481 50 30 EGEARN N#Cc1c(N)nc(-c2cnn(-c3ccccc3)c2)cc1-c1cccnc1 ZINC000071765077 454217077 /nfs/dbraw/zinc/21/70/77/454217077.db2.gz TZKAUDAJQHTKHF-UHFFFAOYSA-N 0 0 338.374 3.450 50 30 EGEARN CC(=O)c1cn(CC(=O)Nc2nnc(CC(C)C)[nH]2)c2ccccc12 ZINC000095480362 454221570 /nfs/dbraw/zinc/22/15/70/454221570.db2.gz MVXSCPVCRPFOIH-UHFFFAOYSA-N 0 0 339.399 3.449 50 30 EGEARN CCCCCCCNC(=O)CCC(=O)NCc1ccc(OC)cc1 ZINC000098044732 454451164 /nfs/dbraw/zinc/45/11/64/454451164.db2.gz XPADKDFCIQYTIC-UHFFFAOYSA-N 0 0 334.460 3.178 50 30 EGEARN C=C(C)COc1cccc(CNCc2nc3ccccc3c(=O)[nH]2)c1 ZINC000063882164 454457435 /nfs/dbraw/zinc/45/74/35/454457435.db2.gz MRVJWYIIKXGVEO-UHFFFAOYSA-N 0 0 335.407 3.168 50 30 EGEARN Cc1ccc(NC2=C(Cl)C(=O)c3c(O)ccc(O)c3C2=O)cc1 ZINC000100251654 454465065 /nfs/dbraw/zinc/46/50/65/454465065.db2.gz KOEJEZVJRDBRMI-UHFFFAOYSA-N 0 0 329.739 3.348 50 30 EGEARN C#CCn1c2c(cccc2C)s/c1=N\C(=O)COc1ccccc1 ZINC000100910471 454468539 /nfs/dbraw/zinc/46/85/39/454468539.db2.gz SPISKLPLCQXXMA-VXPUYCOJSA-N 0 0 336.416 3.151 50 30 EGEARN C=CCOc1ccc(Cl)cc1[C@H]1CC(=O)NCc2nc(N)sc21 ZINC000065488474 454576070 /nfs/dbraw/zinc/57/60/70/454576070.db2.gz KOCUPPAYUSGRKP-LLVKDONJSA-N 0 0 349.843 3.095 50 30 EGEARN CC(C)(C)c1cnc(CN2CC[C@H](CNc3ncccc3C#N)C2)o1 ZINC000065512146 454580733 /nfs/dbraw/zinc/58/07/33/454580733.db2.gz UVPXFJNSHWHBGC-CQSZACIVSA-N 0 0 339.443 3.173 50 30 EGEARN C=CC[C@@H]1CC=C[C@@H](c2ccccc2)N1C(=O)c1ccc(=O)n(C)c1 ZINC000065529395 454585444 /nfs/dbraw/zinc/58/54/44/454585444.db2.gz IRBFVGWDPGJGOQ-MOPGFXCFSA-N 0 0 334.419 3.473 50 30 EGEARN C=CCN1C(=O)[C@@](O)(CC(=O)c2ccc(Cl)s2)c2ccccc21 ZINC000000528619 518844795 /nfs/dbraw/zinc/84/47/95/518844795.db2.gz WWPHXRCUSALZHH-QGZVFWFLSA-N 0 0 347.823 3.395 50 30 EGEARN C=CCn1c(SCc2ccc(OC)cc2)nnc1-c1cnccn1 ZINC000016755585 519241994 /nfs/dbraw/zinc/24/19/94/519241994.db2.gz ZELXARSABMRLEH-UHFFFAOYSA-N 0 0 339.424 3.222 50 30 EGEARN CC(=O)C(=NNc1cccc([N+](=O)[O-])c1)N1CCCc2ccccc21 ZINC000006511052 519353654 /nfs/dbraw/zinc/35/36/54/519353654.db2.gz DMGICRKCOMLXRX-ZZEZOPTASA-N 0 0 338.367 3.362 50 30 EGEARN COc1cccc(C(=O)C=CNc2ccc([N+](=O)[O-])cc2OC)c1 ZINC000004881668 525780465 /nfs/dbraw/zinc/78/04/65/525780465.db2.gz UUZGQLZKTSDHHJ-CMDGGOBGSA-N 0 0 328.324 3.421 50 30 EGEARN O=C(NO)c1cnc(NC2(c3cccc(F)c3)CCCCC2)nc1 ZINC000166616349 1294364193 /nfs/dbraw/zinc/36/41/93/1294364193.db2.gz IYBURCQQEUNLDL-UHFFFAOYSA-N 0 0 330.363 3.006 50 30 EGEARN Cc1nn(-c2ccc(F)cc2)c2[nH]c(=O)c(C#N)c(-c3ccco3)c12 ZINC000009446393 282240899 /nfs/dbraw/zinc/24/08/99/282240899.db2.gz NHAYAWMFQNZNLI-UHFFFAOYSA-N 0 0 334.310 3.293 50 30 EGEARN CCCC[C@H](CC)Cn1c2nc3ccccn3c(=O)c2cc(C#N)c1=N ZINC000100660406 219103356 /nfs/dbraw/zinc/10/33/56/219103356.db2.gz GAAFWZIWXLUDIF-AWEZNQCLSA-N 0 0 349.438 3.217 50 30 EGEARN CNC(=O)c1c(NC(=O)c2ccc(C#N)cc2)sc2c1CCCC2 ZINC000004348760 210176988 /nfs/dbraw/zinc/17/69/88/210176988.db2.gz XBTBCWBKJKEYFO-UHFFFAOYSA-N 0 0 339.420 3.110 50 30 EGEARN C=CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000004083986 210116367 /nfs/dbraw/zinc/11/63/67/210116367.db2.gz AMQJCGDKERGSAU-CYBMUJFWSA-N 0 0 341.194 3.351 50 30 EGEARN C=CCn1nc(C(=O)[O-])c2c1CC[C@H]([N@@H+]1CCC(CC)(CC)C1)C2 ZINC000067850941 215230957 /nfs/dbraw/zinc/23/09/57/215230957.db2.gz JFEUJSCUDVJYJM-AWEZNQCLSA-N 0 0 331.460 3.137 50 30 EGEARN O=c1[nH]ncc(NN=Cc2cccc(Br)c2)c1Cl ZINC000031854573 212752929 /nfs/dbraw/zinc/75/29/29/212752929.db2.gz PBODWNIXSPSJRH-RZNTYIFUSA-N 0 0 327.569 3.044 50 30 EGEARN CC(C)(C)[C@@H]1CCc2nc(N)c(C#N)c(-c3ccc(CO)o3)c2C1 ZINC000071757141 215813899 /nfs/dbraw/zinc/81/38/99/215813899.db2.gz DAFMERSUQISHSP-LLVKDONJSA-N 0 0 325.412 3.439 50 30 EGEARN CC(O)=C1C(=O)C(=O)N(c2ccc(O)cc2)[C@H]1c1ccc(F)cc1 ZINC000000080224 209406075 /nfs/dbraw/zinc/40/60/75/209406075.db2.gz LEQUCPMBDDNNFN-INIZCTEOSA-N 0 0 327.311 3.020 50 30 EGEARN Cc1cc(C)c(C#N)c(SCC(=O)NCCc2ccccc2)n1 ZINC000000089546 209412227 /nfs/dbraw/zinc/41/22/27/209412227.db2.gz XJBKTJQDEDZIJT-UHFFFAOYSA-N 0 0 325.437 3.021 50 30 EGEARN C=C1CC[C@@H]2[C@](C)(CO)[C@H](O)CC[C@@]2(C)[C@H]1C/C=C1\C=COC1=O ZINC000201355984 241040628 /nfs/dbraw/zinc/04/06/28/241040628.db2.gz YIIRVUDGRKEWBV-CZUXAOBFSA-N 0 0 332.440 3.115 50 30 EGEARN COc1ccc(OC2CCN(C(=O)c3ccccc3C#N)CC2)cc1 ZINC000077377743 216887323 /nfs/dbraw/zinc/88/73/23/216887323.db2.gz LNXDAXLGCOFGKY-UHFFFAOYSA-N 0 0 336.391 3.250 50 30 EGEARN C=CCNC(=S)N1CCN(Cc2c(Cl)cccc2Cl)CC1 ZINC000013768387 211635396 /nfs/dbraw/zinc/63/53/96/211635396.db2.gz BDMROZNRXKXMFD-UHFFFAOYSA-N 0 0 344.311 3.172 50 30 EGEARN COc1ccc([C@@H](C)NC(=O)Cn2cc(C#N)c3ccccc32)cc1 ZINC000085558651 217677558 /nfs/dbraw/zinc/67/75/58/217677558.db2.gz NTOAYWGAIHQNNP-CQSZACIVSA-N 0 0 333.391 3.399 50 30 EGEARN COc1ccc(/C=C2\Oc3cc(OC(C)=O)ccc3C2=O)cc1OC ZINC000012662280 211431852 /nfs/dbraw/zinc/43/18/52/211431852.db2.gz OYUQHQKHGRCPQT-NVMNQCDNSA-N 0 0 340.331 3.245 50 30 biogenic EGEARN Cc1ccc(C(=O)[C@@H]2C(C#N)(C#N)C23CCC2(CC3)OCCO2)cc1 ZINC000012447646 211386085 /nfs/dbraw/zinc/38/60/85/211386085.db2.gz HBSAHUODWCEUJT-KRWDZBQOSA-N 0 0 336.391 3.145 50 30 EGEARN C=CCOc1cccc(NC(=O)c2ccc(N3CCOCC3)cc2)c1 ZINC000012343924 211351898 /nfs/dbraw/zinc/35/18/98/211351898.db2.gz HCXBSGAFIDLGRE-UHFFFAOYSA-N 0 0 338.407 3.340 50 30 EGEARN CCCn1ncc(C(=O)NCCc2c(C)[nH]c3ccc(C#N)cc32)c1C ZINC000091650785 218039777 /nfs/dbraw/zinc/03/97/77/218039777.db2.gz YQOBLFIJVSWHBY-UHFFFAOYSA-N 0 0 349.438 3.235 50 30 EGEARN N#Cc1cccc(-c2cn(CCCn3ncc4ccccc43)nn2)c1 ZINC000091817921 218070931 /nfs/dbraw/zinc/07/09/31/218070931.db2.gz VEVDYUFSWUKLKH-UHFFFAOYSA-N 0 0 328.379 3.257 50 30 EGEARN C=CCSc1nnc(NC(=O)c2cc(=O)c3ccccc3o2)s1 ZINC000009330796 211069883 /nfs/dbraw/zinc/06/98/83/211069883.db2.gz CNGPYNXYMWEIKS-UHFFFAOYSA-N 0 0 345.405 3.175 50 30 EGEARN C=CCOc1cccc(-c2nn3c(nnc3-c3cccnc3)s2)c1 ZINC000009227261 211054469 /nfs/dbraw/zinc/05/44/69/211054469.db2.gz VNWMUPGQJHESHS-UHFFFAOYSA-N 0 0 335.392 3.480 50 30 EGEARN Cc1nn(C)cc1/C=N/NC(=S)Nc1ccc(Cl)cc1Cl ZINC000008829179 211008783 /nfs/dbraw/zinc/00/87/83/211008783.db2.gz WXBJDZQMERTQSM-OMCISZLKSA-N 0 0 342.255 3.356 50 30 EGEARN O=C1CCCC2=Nc3ncnn3[C@H](c3cccc(Br)c3)C12 ZINC000000067001 296317097 /nfs/dbraw/zinc/31/70/97/296317097.db2.gz CPPMKZOWANCDIU-CQSZACIVSA-N 0 0 345.200 3.063 50 30 EGEARN COc1cc(OC)c(C(=O)/C=C/c2ccc(O)cc2)c(O)c1OC ZINC000005018579 210364076 /nfs/dbraw/zinc/36/40/76/210364076.db2.gz PSPONZNQSBPSLY-RMKNXTFCSA-N 0 0 330.336 3.020 50 30 EGEARN CCNC(=NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000004991315 210352655 /nfs/dbraw/zinc/35/26/55/210352655.db2.gz XEEPVXJJSPOPPF-UHFFFAOYSA-N 0 0 340.807 3.224 50 30 EGEARN Cc1ccc(C[C@@H]2S/C(=N/N=C/c3cccs3)NC2=O)cc1 ZINC000004898098 210315552 /nfs/dbraw/zinc/31/55/52/210315552.db2.gz PCLIZMOSWCLVTC-FBJMNJBLSA-N 0 0 329.450 3.221 50 30 EGEARN COc1ccccc1/C=C/c1nc(C#N)c(NC[C@@H]2CCCO2)o1 ZINC000004850998 210298931 /nfs/dbraw/zinc/29/89/31/210298931.db2.gz GFHUHKKYJXSRFY-VFNNOXKTSA-N 0 0 325.368 3.316 50 30 EGEARN C=CCOc1ccccc1NC(=O)N[C@H](C)c1nncn1CCC ZINC000097551211 219034901 /nfs/dbraw/zinc/03/49/01/219034901.db2.gz ISRLBBWLOSIZAI-CYBMUJFWSA-N 0 0 329.404 3.136 50 30 EGEARN C=CCN(C(=O)c1coc(COc2ccc3c(c2)OCO3)n1)C(C)C ZINC000067886091 258011189 /nfs/dbraw/zinc/01/11/89/258011189.db2.gz RRTGYBZSVDBPHX-UHFFFAOYSA-N 0 0 344.367 3.019 50 30 EGEARN N#CC1(C#N)[C@H]2CCCC[C@]23OC(=N)[C@@]1(C#N)[C@@H](c1cccs1)O3 ZINC000004558396 258051153 /nfs/dbraw/zinc/05/11/53/258051153.db2.gz BVAZBPHICLDVKX-KFZJALRRSA-N 0 0 338.392 3.257 50 30 EGEARN N#Cc1ccnc(N2CCC(CO)(Cc3ccc(Cl)cc3)CC2)c1 ZINC000067855804 132813035 /nfs/dbraw/zinc/81/30/35/132813035.db2.gz MQZWHAQFRNHTLT-UHFFFAOYSA-N 0 0 341.842 3.428 50 30 EGEARN CCOC(=O)C1=C2CCCC[C@H]2[C@@H](c2ccccc2)C(C#N)(C#N)C1=O ZINC000000507106 285672783 /nfs/dbraw/zinc/67/27/83/285672783.db2.gz REIBZBDQMVFGEB-SJLPKXTDSA-N 0 0 348.402 3.436 50 30 EGEARN Cc1ccccc1-c1ncc(-c2c(C#N)c(N)nc3c2COCC3)cn1 ZINC000071639491 270037932 /nfs/dbraw/zinc/03/79/32/270037932.db2.gz JOEUSAIJYKCXNR-UHFFFAOYSA-N 0 0 343.390 3.041 50 30 EGEARN CC1=CC(=O)C(=C2C[C@H](c3ccccc3)N(c3ccccc3)N2)C(=O)O1 ZINC000102449416 276178163 /nfs/dbraw/zinc/17/81/63/276178163.db2.gz SUZWDMGEXPKBQD-GMQRBVGNSA-N 0 0 346.386 3.426 50 30 EGEARN C=CCN1CCN(C(=O)C2(c3ccc(Cl)cc3)CCC2)CCC1=O ZINC000015069270 277857807 /nfs/dbraw/zinc/85/78/07/277857807.db2.gz OZDWKQOOUJYPRN-UHFFFAOYSA-N 0 0 346.858 3.009 50 30 EGEARN CC(=O)O/N=c1\oc2cc3c(cc2c2c1CCC2)CCC(C)(C)O3 ZINC000011865530 278215135 /nfs/dbraw/zinc/21/51/35/278215135.db2.gz SMWYPSIELXVPNG-ZZEZOPTASA-N 0 0 327.380 3.404 50 30 EGEARN C[C@@H]1CN(CN2c3ccccc3/C(=N/c3ccccc3)C2=O)C[C@@H](C)O1 ZINC000016609508 288183732 /nfs/dbraw/zinc/18/37/32/288183732.db2.gz LBEGJLYBEASKPC-BUWYAKEBSA-N 0 0 349.434 3.221 50 30 EGEARN Cc1c(C#N)sc2nc(-c3ccccc3)nc(N3CCOCC3)c12 ZINC000000049514 280203581 /nfs/dbraw/zinc/20/35/81/280203581.db2.gz KUOGGIYPIJQDBQ-UHFFFAOYSA-N 0 0 336.420 3.375 50 30 EGEARN Cc1ccc(-c2nnc(-n3ncc(C#N)c3N)c3ccccc32)cc1 ZINC000000038236 280730022 /nfs/dbraw/zinc/73/00/22/280730022.db2.gz TXZCSPFFQGNADB-UHFFFAOYSA-N 0 0 326.363 3.245 50 30 EGEARN Cc1csc(C2=C(N)N([C@@H]3CCCc4ccccc43)CC2=O)n1 ZINC000013684551 293027188 /nfs/dbraw/zinc/02/71/88/293027188.db2.gz MAXUSTVSANLGCS-CQSZACIVSA-N 0 0 325.437 3.041 50 30 EGEARN N#Cc1ccc(N2CCC[C@@H]2[C@@H](O)C(F)(F)F)cc1C(F)(F)F ZINC000095830588 294923452 /nfs/dbraw/zinc/92/34/52/294923452.db2.gz OPSIVAKKLQRWKC-VXGBXAGGSA-N 0 0 338.251 3.469 50 30 investigational EGEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(C)o1 ZINC000000194908 452531872 /nfs/dbraw/zinc/53/18/72/452531872.db2.gz NUNWMAFEZAJIBX-QGZVFWFLSA-N 0 0 329.396 3.365 50 30 EGEARN Cc1c(C#N)c(NC(=O)c2ccc(C)cc2)sc1C(=O)N(C)C ZINC000000370773 452573494 /nfs/dbraw/zinc/57/34/94/452573494.db2.gz YHSUBQQQOVRBMW-UHFFFAOYSA-N 0 0 327.409 3.191 50 30 EGEARN O=S(=O)(N/N=C/c1c(F)cccc1Cl)c1ccc(Cl)cc1 ZINC000000369507 452574672 /nfs/dbraw/zinc/57/46/72/452574672.db2.gz FEZZNCVKHNHFSU-CAOOACKPSA-N 0 0 347.198 3.445 50 30 EGEARN Cc1ccc(NC(=O)ON2C(=O)c3ccccc3C2=O)cc1Cl ZINC000000397722 452579498 /nfs/dbraw/zinc/57/94/98/452579498.db2.gz XTVGILUFYXAZFR-UHFFFAOYSA-N 0 0 330.727 3.408 50 30 EGEARN CCOC(=O)C1=C2CCCC[C@H]2[C@H](c2ccccc2)C(C#N)(C#N)C1=O ZINC000000507107 452610759 /nfs/dbraw/zinc/61/07/59/452610759.db2.gz REIBZBDQMVFGEB-AEFFLSMTSA-N 0 0 348.402 3.436 50 30 EGEARN COc1cccc(/C=N/N2C(=O)c3ccccc3C2=O)c1OC(C)C ZINC000000559069 452622166 /nfs/dbraw/zinc/62/21/66/452622166.db2.gz INNRBXRJIOKGSL-RGVLZGJSSA-N 0 0 338.363 3.113 50 30 EGEARN N#Cc1nc(COc2ccc(Br)cc2)oc1NC1CC1 ZINC000000618835 452632906 /nfs/dbraw/zinc/63/29/06/452632906.db2.gz YENPKPXSFKAOQQ-UHFFFAOYSA-N 0 0 334.173 3.462 50 30 EGEARN CCN(c1ccccc1)S(=O)(=O)c1nc(C)c(Cl)c(C)c1C#N ZINC000001446060 452665215 /nfs/dbraw/zinc/66/52/15/452665215.db2.gz BSQQOBJFMIAEAM-UHFFFAOYSA-N 0 0 349.843 3.439 50 30 EGEARN N#Cc1cc([N+](=O)[O-])ccc1Sc1ccc([N+](=O)[O-])cc1C#N ZINC000001654678 452671853 /nfs/dbraw/zinc/67/18/53/452671853.db2.gz KECFVFYQNDZHKT-UHFFFAOYSA-N 0 0 326.293 3.398 50 30 EGEARN CCOC(=O)c1sc(NC(=O)COc2ccccc2)c(C#N)c1C ZINC000001965077 452683995 /nfs/dbraw/zinc/68/39/95/452683995.db2.gz IIBSDSNTYAVUNU-UHFFFAOYSA-N 0 0 344.392 3.122 50 30 EGEARN Fc1cc(-c2nn3c(nnc3C(F)(F)F)s2)c(F)c(F)c1F ZINC000002183254 452687036 /nfs/dbraw/zinc/68/70/36/452687036.db2.gz RGOSVVNAUVVUOV-UHFFFAOYSA-N 0 0 342.199 3.428 50 30 EGEARN COc1ccccc1/C=N/N=C1/SCC(=O)N1Cc1ccccc1 ZINC000002354242 452694684 /nfs/dbraw/zinc/69/46/84/452694684.db2.gz LDXNKOHRELANAL-DSTXHIGZSA-N 0 0 339.420 3.161 50 30 EGEARN COc1ccc(NC(=S)N/N=C/c2cc(Cl)ccc2O)cc1 ZINC000002597721 452706546 /nfs/dbraw/zinc/70/65/46/452706546.db2.gz SOEGXIGERJVPHG-RQZCQDPDSA-N 0 0 335.816 3.375 50 30 EGEARN Cn1cc(Cl)c(C(=O)O/N=C/c2ccccc2C(F)(F)F)n1 ZINC000002747318 452718356 /nfs/dbraw/zinc/71/83/56/452718356.db2.gz YWOBRKQPXIWRNS-NGYBGAFCSA-N 0 0 331.681 3.283 50 30 EGEARN CO/N=C/c1c(Sc2ccc(C)cc2)nc2ccccn2c1=O ZINC000002994439 452738103 /nfs/dbraw/zinc/73/81/03/452738103.db2.gz ZLMHSPHCSZNPJE-WOJGMQOQSA-N 0 0 325.393 3.134 50 30 EGEARN CC(C)(C)S(=O)(=O)/C(C#N)=N/Nc1ccc(C(F)(F)F)cc1 ZINC000003047651 452740170 /nfs/dbraw/zinc/74/01/70/452740170.db2.gz CWCWITCRSMRUTD-YBFXNURJSA-N 0 0 333.335 3.168 50 30 EGEARN O=C(NCCCn1ccnc1)c1ccc(C#Cc2ccccc2)cc1 ZINC000003899580 452788687 /nfs/dbraw/zinc/78/86/87/452788687.db2.gz YQRGSZVXCHGHRA-UHFFFAOYSA-N 0 0 329.403 3.103 50 30 EGEARN C[C@]12CC=C3[C@@H](CC[C@@]45CC6(CC[C@@]34O5)OCCO6)[C@@H]1CCC2=O ZINC000004091817 452792344 /nfs/dbraw/zinc/79/23/44/452792344.db2.gz BAMMJXIMVWLRCU-YAUBAPCASA-N 0 0 330.424 3.147 50 30 EGEARN OCCn1c2ccc3ccccc3c2nc1NN=Cc1ccccc1O ZINC000005395249 452867870 /nfs/dbraw/zinc/86/78/70/452867870.db2.gz MRWXHKXZVWTVAC-FYJGNVAPSA-N 0 0 346.390 3.333 50 30 EGEARN C=CCNC(=O)c1ccccc1NC(=O)c1ccc(OCC=C)cc1 ZINC000006697595 452969334 /nfs/dbraw/zinc/96/93/34/452969334.db2.gz KQYYDVBEYGHBNZ-UHFFFAOYSA-N 0 0 336.391 3.420 50 30 EGEARN Cc1ccc(Cl)cc1N1CCN(C(=O)c2cccc(C#N)c2)CC1 ZINC000007724519 453109344 /nfs/dbraw/zinc/10/93/44/453109344.db2.gz HSSSSDUCODYDDQ-UHFFFAOYSA-N 0 0 339.826 3.483 50 30 EGEARN N#Cc1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000008263540 453184671 /nfs/dbraw/zinc/18/46/71/453184671.db2.gz VDFFOCMUTCRXGD-CYBMUJFWSA-N 0 0 339.782 3.203 50 30 EGEARN C#CCN1C(=O)S/C(=C\c2ccc(N3CCCC3)cc2C)C1=O ZINC000014011406 453497625 /nfs/dbraw/zinc/49/76/25/453497625.db2.gz IIJFZNOFJLEARG-VBKFSLOCSA-N 0 0 326.421 3.265 50 30 EGEARN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccccc1 ZINC000019831929 453659856 /nfs/dbraw/zinc/65/98/56/453659856.db2.gz OQGWBHHBKUUWOV-QGZVFWFLSA-N 0 0 331.371 3.428 50 30 EGEARN N#Cc1ccccc1N1CCN(Cc2ccccc2Cl)CC1=O ZINC000082120548 453925491 /nfs/dbraw/zinc/92/54/91/453925491.db2.gz VLYVVHQMRVYBQC-UHFFFAOYSA-N 0 0 325.799 3.060 50 30 EGEARN N#Cc1ccc(-c2nc([C@H]3CC(=O)N(c4ccccc4)C3)no2)cc1 ZINC000044213929 454092399 /nfs/dbraw/zinc/09/23/99/454092399.db2.gz HFGLLJRWJOOFSU-HNNXBMFYSA-N 0 0 330.347 3.129 50 30 EGEARN N#Cc1cccc(-c2nc([C@@H]3CC(=O)N(Cc4ccccc4)C3)no2)c1 ZINC000044425230 454100851 /nfs/dbraw/zinc/10/08/51/454100851.db2.gz RRYXKLXNVHXMIT-QGZVFWFLSA-N 0 0 344.374 3.124 50 30 EGEARN FC(F)(Cl)c1nnc2sc(C(F)(F)C(F)(F)F)nn21 ZINC000071288471 454205633 /nfs/dbraw/zinc/20/56/33/454205633.db2.gz SNWRNEJCLZJUQY-UHFFFAOYSA-N 0 0 328.600 3.128 50 30 EGEARN N#Cc1c(N)nc(-c2cc[nH]c2)cc1-c1cccc(-n2cccn2)c1 ZINC000071614010 454208888 /nfs/dbraw/zinc/20/88/88/454208888.db2.gz OWLCIFHRBQSPFU-UHFFFAOYSA-N 0 0 326.363 3.383 50 30 EGEARN CCc1nn(C)c(Cl)c1-c1cc(-c2cc[nH]c2)nc(N)c1C#N ZINC000071762403 454215548 /nfs/dbraw/zinc/21/55/48/454215548.db2.gz QAXMQQLTDJEPAE-UHFFFAOYSA-N 0 0 326.791 3.147 50 30 EGEARN COc1cc(-c2cc(-c3c(C)n[nH]c3C)nc(N)c2C#N)ccc1F ZINC000071764476 454217200 /nfs/dbraw/zinc/21/72/00/454217200.db2.gz XATOBVWZCYQWEM-UHFFFAOYSA-N 0 0 337.358 3.357 50 30 EGEARN C=C(C)c1ccccc1NC1=NS(=O)(=O)c2cc([N+](=O)[O-])ccc21 ZINC000095481812 454220659 /nfs/dbraw/zinc/22/06/59/454220659.db2.gz KXSAKSAXEDYPBN-UHFFFAOYSA-N 0 0 343.364 3.189 50 30 EGEARN Cc1nc(-c2cc(C#N)cn2C)n(-c2ccc3nc(C)sc3c2)n1 ZINC000096131738 454291124 /nfs/dbraw/zinc/29/11/24/454291124.db2.gz LHUZOHRAQYDMSK-UHFFFAOYSA-N 0 0 334.408 3.371 50 30 EGEARN C=CCn1c2ccccc2nc1[C@H]1c2[nH]cnc2CCN1CC1CC1 ZINC000072433936 454295868 /nfs/dbraw/zinc/29/58/68/454295868.db2.gz PJRHXZJSOKBSPP-LJQANCHMSA-N 0 0 333.439 3.303 50 30 EGEARN COc1ccc2[nH]cc(C[C@H](C#N)C(=O)Nc3ccc(O)cc3)c2c1 ZINC000061717868 454352772 /nfs/dbraw/zinc/35/27/72/454352772.db2.gz BDDIEKFZLRMQLB-GFCCVEGCSA-N 0 0 335.363 3.203 50 30 EGEARN N#Cc1ccc(N2CCC[C@H]2[C@H](O)C(F)(F)F)cc1C(F)(F)F ZINC000098086063 454453553 /nfs/dbraw/zinc/45/35/53/454453553.db2.gz OPSIVAKKLQRWKC-RYUDHWBXSA-N 0 0 338.251 3.469 50 30 EGEARN CC(NN=Cc1ccc([N+](=O)[O-])cc1)=C1C(=O)c2ccccc2C1=O ZINC000100326897 454465634 /nfs/dbraw/zinc/46/56/34/454465634.db2.gz DOQCDSOLDPOPNA-ROUMAOROSA-N 0 0 335.319 3.085 50 30 EGEARN N#C[C@@H]1CCCN(C(=O)c2ccc(-c3ccc4c(c3)OCO4)cc2)C1 ZINC000426599756 457860149 /nfs/dbraw/zinc/86/01/49/457860149.db2.gz PBFUVPNMQVUQFJ-AWEZNQCLSA-N 0 0 334.375 3.458 50 30 EGEARN C=CCN(Cc1cccc(OC)c1)C(=O)CCc1cc(Cl)no1 ZINC000055183199 518785052 /nfs/dbraw/zinc/78/50/52/518785052.db2.gz DDIPWTAIJITCEU-UHFFFAOYSA-N 0 0 334.803 3.484 50 30 EGEARN C=CCNC(=O)[C@@H]1CCCC[C@@H]1C(=O)NCCc1ccccc1Cl ZINC000055254868 518918944 /nfs/dbraw/zinc/91/89/44/518918944.db2.gz NPDLFTOFDKLLIS-CVEARBPZSA-N 0 0 348.874 3.107 50 30 EGEARN C=CCOc1ccc(C(=O)N(C)CC2(CO)CCCC2)cc1OCC ZINC000055270491 519025090 /nfs/dbraw/zinc/02/50/90/519025090.db2.gz NEOBFAQBBMTBDE-UHFFFAOYSA-N 0 0 347.455 3.275 50 30 EGEARN C=CCn1c(SCc2ccc(C#N)cc2)nnc1-c1cnccn1 ZINC000000526868 519239014 /nfs/dbraw/zinc/23/90/14/519239014.db2.gz IZZMDNJZIRZLNG-UHFFFAOYSA-N 0 0 334.408 3.085 50 30 EGEARN CC1=C/C(=N\OC(=O)c2cccc([N+](=O)[O-])c2)C(C(C)C)=CC1=O ZINC000016213991 520850063 /nfs/dbraw/zinc/85/00/63/520850063.db2.gz PUQFZCCYJQFKRY-OBGWFSINSA-N 0 0 328.324 3.219 50 30 EGEARN COc1cc(C(=O)C=CNCc2ccccc2)cc(OC)c1OC ZINC000006187470 522050214 /nfs/dbraw/zinc/05/02/14/522050214.db2.gz BNGVVTJLQHVWSM-MDZDMXLPSA-N 0 0 327.380 3.199 50 30 EGEARN Cc1nnc(SCC#CCOC(=O)c2ccc(Cl)cc2)s1 ZINC000006479900 526378939 /nfs/dbraw/zinc/37/89/39/526378939.db2.gz JCBLRGSPDCBIBU-UHFFFAOYSA-N 0 0 338.841 3.452 50 30 EGEARN C=CCOc1ccc(C[N@H+]2CCC[C@H](NC(C)=O)C2)cc1CC=C ZINC000820505664 1319900143 /nfs/dbraw/zinc/90/01/43/1319900143.db2.gz QFLRUWQKIIZXGF-IBGZPJMESA-N 0 0 328.456 3.080 50 30 EGEARN CNC(=O)Cc1nc(-c2cccs2)cc(-c2ccc(C#N)cc2)n1 ZINC000823825753 1320209588 /nfs/dbraw/zinc/20/95/88/1320209588.db2.gz SAMWLJBRTMGEDB-UHFFFAOYSA-N 0 0 334.404 3.032 50 30 EGEARN CNC(=O)Cc1nc(-c2ccc(C#N)cc2)cc(-c2cccc(C)c2)n1 ZINC000823825732 1320209901 /nfs/dbraw/zinc/20/99/01/1320209901.db2.gz QTEDSCQHHYUWTK-UHFFFAOYSA-N 0 0 342.402 3.279 50 30 EGEARN C=CCc1cc(C(=O)N(CCO)Cc2cccs2)ccc1OC ZINC000952972731 1334627896 /nfs/dbraw/zinc/62/78/96/1334627896.db2.gz QTYJVQUTHWJHJC-UHFFFAOYSA-N 0 0 331.437 3.120 50 30 EGEARN C=C1C(=O)O[C@@H]2C=C(C)C[C@H](O)C=C(C)C[C@@H](OC(=O)/C(C)=C/C)[C@@H]12 ZINC001772820456 1441417804 /nfs/dbraw/zinc/41/78/04/1441417804.db2.gz ZYKRXWIPMUJNME-CRKVZLJZSA-N 0 0 346.423 3.010 50 30 EGEARN Cc1nn(-c2ccc(C)cc2)c2[nH]c(=O)c(C#N)c(-c3ccco3)c12 ZINC000009266785 282237982 /nfs/dbraw/zinc/23/79/82/282237982.db2.gz LZJBWTKNJUWAOO-UHFFFAOYSA-N 0 0 330.347 3.462 50 30 EGEARN C#CCOc1cc([C@H]2CC(=O)Nc3nc(NC)sc32)ccc1OC ZINC000061718105 214674044 /nfs/dbraw/zinc/67/40/44/214674044.db2.gz QGHJFLRTBAMATE-LLVKDONJSA-N 0 0 343.408 3.329 50 30 EGEARN COC(=O)c1sc(NC(=O)COc2ccc(C)cc2)c(C#N)c1C ZINC000004537780 210216688 /nfs/dbraw/zinc/21/66/88/210216688.db2.gz ICHWDMGBVCQPBY-UHFFFAOYSA-N 0 0 344.392 3.041 50 30 EGEARN COc1ccc(CCNC=C2C(=O)CC(c3ccccc3)CC2=O)cc1 ZINC000100631282 219102427 /nfs/dbraw/zinc/10/24/27/219102427.db2.gz AKANLGXPLZMDFG-UHFFFAOYSA-N 0 0 349.430 3.427 50 30 EGEARN Cc1ccc(NC(=O)[C@H]2CCCN2/C=C/C(=O)C(F)(F)F)cc1 ZINC000004119678 210125268 /nfs/dbraw/zinc/12/52/68/210125268.db2.gz WYHGSJAGUHQGAZ-AORWBKJGSA-N 0 0 326.318 3.043 50 30 EGEARN Cc1onc(C#N)c1C(=O)Nc1ncc(C(F)(F)F)cc1Cl ZINC000004041257 210105691 /nfs/dbraw/zinc/10/56/91/210105691.db2.gz JJHFODFHTONIKM-UHFFFAOYSA-N 0 0 330.653 3.174 50 30 EGEARN N#Cc1ccccc1C(=O)N1CCC([C@H](O)Cc2ccccc2)CC1 ZINC000067650061 215173829 /nfs/dbraw/zinc/17/38/29/215173829.db2.gz RNGAICFTIULECX-HXUWFJFHSA-N 0 0 334.419 3.014 50 30 EGEARN Cc1cc(C(F)F)nn1CC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000002782490 209912322 /nfs/dbraw/zinc/91/23/22/209912322.db2.gz SFTGKTXMOZIZRK-UHFFFAOYSA-N 0 0 336.367 3.190 50 30 EGEARN CC[NH+](CC)CC#CCC(C(=O)C(C)(C)OC)=C([O-])c1ccccc1 ZINC000103402334 219296859 /nfs/dbraw/zinc/29/68/59/219296859.db2.gz MBBZGOIEMWMOAS-GOSISDBHSA-N 0 0 343.467 3.215 50 30 EGEARN CCOc1ccc(CCN2C(=O)CS/C2=N\C2CC2)cc1OCC ZINC000002733835 209897150 /nfs/dbraw/zinc/89/71/50/209897150.db2.gz SLOHSJKAJNPKOD-HNENSFHCSA-N 0 0 348.468 3.120 50 30 EGEARN C=CCCC(=O)N1CCO[C@@H](Cc2cccc(C(F)(F)F)c2)C1 ZINC000071751620 215808682 /nfs/dbraw/zinc/80/86/82/215808682.db2.gz ZJKUDJMKILSTEY-HNNXBMFYSA-N 0 0 327.346 3.442 50 30 EGEARN COc1ccc(/C=N/NC(=S)Nc2cccc(C)c2)cc1OC ZINC000000288733 209520418 /nfs/dbraw/zinc/52/04/18/209520418.db2.gz PJYSCNIRGUVFFF-WOJGMQOQSA-N 0 0 329.425 3.333 50 30 EGEARN CCOC(=O)[C@@H](C#N)[C@]1(c2ccc(OC)cc2)CCOC(C)(C)C1 ZINC000000209741 209485562 /nfs/dbraw/zinc/48/55/62/209485562.db2.gz GHWOYMJONOHRTR-VQIMIIECSA-N 0 0 331.412 3.225 50 30 EGEARN C[C@H]1Cc2cc(-n3ccnc3-c3cc(C#CCO)cs3)ccc2O1 ZINC000072408287 216199939 /nfs/dbraw/zinc/19/99/39/216199939.db2.gz KNJDBIXBWHTYSO-ZDUSSCGKSA-N 0 0 336.416 3.268 50 30 EGEARN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccccc1 ZINC000019831930 283743321 /nfs/dbraw/zinc/74/33/21/283743321.db2.gz OQGWBHHBKUUWOV-KRWDZBQOSA-N 0 0 331.371 3.428 50 30 EGEARN CC1(C)CC(=O)C(CN2CCOCC2)=C(Nc2ccccc2F)C1 ZINC000226758757 242114356 /nfs/dbraw/zinc/11/43/56/242114356.db2.gz LYYXGDWOHOBAPT-UHFFFAOYSA-N 0 0 332.419 3.213 50 30 EGEARN COc1ccc(CCNc2nc(C)c([N+](=O)[O-])c(C)c2C#N)cc1 ZINC000020791002 212172282 /nfs/dbraw/zinc/17/22/82/212172282.db2.gz BILRHXLOIQQWHT-UHFFFAOYSA-N 0 0 326.356 3.142 50 30 EGEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1c(F)cccc1F ZINC000019902715 212081995 /nfs/dbraw/zinc/08/19/95/212081995.db2.gz OLRSEYJKBKPVLL-GOSISDBHSA-N 0 0 347.361 3.496 50 30 EGEARN CCOC(=O)C1=C(C)NC(=Cc2ccccc2C(F)(F)F)C1=O ZINC000018265403 211993615 /nfs/dbraw/zinc/99/36/15/211993615.db2.gz HDBBGSLUKMZQDN-WQLSENKSSA-N 0 0 325.286 3.056 50 30 EGEARN COc1ccccc1/C=N/N=C1\SCC(=O)N1Cc1ccccc1 ZINC000013617435 211592704 /nfs/dbraw/zinc/59/27/04/211592704.db2.gz LDXNKOHRELANAL-IVUIJMHVSA-N 0 0 339.420 3.161 50 30 EGEARN COCc1cc(C)nc(SCC(=O)N(C)C2CCCCC2)c1C#N ZINC000010231430 211155502 /nfs/dbraw/zinc/15/55/02/211155502.db2.gz HLJDIKRTVINQDN-UHFFFAOYSA-N 0 0 347.484 3.291 50 30 EGEARN C=CCOc1ccc(-c2nn3c(nnc3-c3cccnc3)s2)cc1 ZINC000009227262 211054663 /nfs/dbraw/zinc/05/46/63/211054663.db2.gz CJJPMCJUKJNUKV-UHFFFAOYSA-N 0 0 335.392 3.480 50 30 EGEARN CC1(C)[C@H](c2nc(C#N)c(N3CCOCC3)o2)[C@H]1C=C(Cl)Cl ZINC000008915983 211018364 /nfs/dbraw/zinc/01/83/64/211018364.db2.gz LJMPDXBGTWWXJV-SKDRFNHKSA-N 0 0 342.226 3.441 50 30 EGEARN Cc1ccccc1/N=C1\NC(=O)[C@@H](Cc2cccc([N+](=O)[O-])c2)S1 ZINC000005533745 210483784 /nfs/dbraw/zinc/48/37/84/210483784.db2.gz BYNQZNQSIHQZNK-OAHLLOKOSA-N 0 0 341.392 3.365 50 30 EGEARN Cc1cccc(C(=N)NOC(=O)c2ccc(Br)cc2)c1 ZINC000005091098 210387978 /nfs/dbraw/zinc/38/79/78/210387978.db2.gz BAGFZMFQTMIWQB-UHFFFAOYSA-N 0 0 333.185 3.235 50 30 EGEARN COC(=O)C1=C(C)NC(=Cc2cccc(Oc3ccccc3)c2)C1=O ZINC000004813084 210285268 /nfs/dbraw/zinc/28/52/68/210285268.db2.gz JSGRRLWSAFRRFE-SFQUDFHCSA-N 0 0 335.359 3.439 50 30 EGEARN CN(C)c1ccc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc1[N+](=O)[O-] ZINC000004819274 210286611 /nfs/dbraw/zinc/28/66/11/210286611.db2.gz GFUCOPPNAHPDHY-QPJJXVBHSA-N 0 0 340.335 3.286 50 30 EGEARN O=c1nc(N/N=C/c2ccccc2)sc2ccc([N+](=O)[O-])cc12 ZINC000004522491 285225816 /nfs/dbraw/zinc/22/58/16/285225816.db2.gz SQELCCSWIASARI-CXUHLZMHSA-N 0 0 326.337 3.011 50 30 EGEARN C=CCN(CC=C)C(=O)c1cnn(-c2nccc(-c3ccco3)n2)c1C ZINC000011974019 258017841 /nfs/dbraw/zinc/01/78/41/258017841.db2.gz JDGLBCRVKSRFMS-UHFFFAOYSA-N 0 0 349.394 3.045 50 30 EGEARN N#CCCN(CCC#N)c1nnc(SCc2ccccc2)s1 ZINC000002201362 258049542 /nfs/dbraw/zinc/04/95/42/258049542.db2.gz YFLHFGCYAHAZIW-UHFFFAOYSA-N 0 0 329.454 3.464 50 30 EGEARN C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)C=C[C@]43C)[C@H]1CC[C@H]2C(=O)CO ZINC000257346379 258073676 /nfs/dbraw/zinc/07/36/76/258073676.db2.gz ZDYFFPNLCUDFDB-ZPMOIGASSA-N 0 0 328.452 3.472 50 30 EGEARN N#Cc1nc(-c2ccccc2)oc1S(=O)(=O)Cc1ccc(F)cc1 ZINC000170623808 226663751 /nfs/dbraw/zinc/66/37/51/226663751.db2.gz OCMMZRWTMVQTGF-UHFFFAOYSA-N 0 0 342.351 3.326 50 30 EGEARN CC[C@@]12OC(=N)[C@@](C#N)([C@@H]1C)C(C#N)(C#N)[C@@H](c1ccc(C)cc1)O2 ZINC000136606155 287442008 /nfs/dbraw/zinc/44/20/08/287442008.db2.gz PSEFZTALOJAXRE-LLBUTXAOSA-N 0 0 334.379 3.360 50 30 EGEARN Cc1ccc(C(=O)Nc2cc(C#N)c3[nH]c4ccccc4n3c2=O)cc1 ZINC000002879762 274737586 /nfs/dbraw/zinc/73/75/86/274737586.db2.gz GRXPBVNEONFRGI-UHFFFAOYSA-N 0 0 342.358 3.213 50 30 EGEARN N#Cc1c2nc3ccccc3n2c(N2CCOCC2)cc1C(F)(F)F ZINC000000521273 274918541 /nfs/dbraw/zinc/91/85/41/274918541.db2.gz YTWUAGBMZFRMII-UHFFFAOYSA-N 0 0 346.312 3.215 50 30 EGEARN C=C(C)COc1nc2c3c4c(sc3nc(C)n2n1)COC(C)(C)C4 ZINC000032103193 275738972 /nfs/dbraw/zinc/73/89/72/275738972.db2.gz FZZRLUGVJXRDPI-UHFFFAOYSA-N 0 0 344.440 3.454 50 30 EGEARN CCOc1ccc(S(=O)(=O)/N=C2\C=CC(=O)c3ccccc32)cc1 ZINC000018068718 276376025 /nfs/dbraw/zinc/37/60/25/276376025.db2.gz JTVQYPFKKQDBIX-HTXNQAPBSA-N 0 0 341.388 3.016 50 30 EGEARN CC(C)(C)C(=O)C=C1N[C@H]2CCCC[C@@H]2NC1=CC(=O)C(C)(C)C ZINC000012364913 278283387 /nfs/dbraw/zinc/28/33/87/278283387.db2.gz PEMLPACMQJOXII-GDIQWMRCSA-N 0 0 332.488 3.489 50 30 EGEARN O=C1C(Cl)=CC(=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C=C1Cl ZINC000004566407 280247568 /nfs/dbraw/zinc/24/75/68/280247568.db2.gz CCVXZPAIAWNWNO-UHFFFAOYSA-N 0 0 342.094 3.404 50 30 EGEARN Cc1ccc(-c2nc(C#N)c(S(=O)(=O)c3ccc(F)cc3)o2)cc1 ZINC000080344593 280725094 /nfs/dbraw/zinc/72/50/94/280725094.db2.gz COGDAKLLJWHFFC-UHFFFAOYSA-N 0 0 342.351 3.494 50 30 EGEARN O=C1CCCC2=Nc3nonc3N[C@@H](c3cc(Cl)ccc3F)C12 ZINC000020736418 304624035 /nfs/dbraw/zinc/62/40/35/304624035.db2.gz KQWOCDRMDSBBDH-ZDUSSCGKSA-N 0 0 334.738 3.448 50 30 EGEARN Cc1ccc(-c2ccc(/C=N\n3cnnc3)o2)c(Br)c1 ZINC000000037663 452494080 /nfs/dbraw/zinc/49/40/80/452494080.db2.gz CNDKTIWKKPQJIZ-WSVATBPTSA-N 0 0 331.173 3.491 50 30 EGEARN CN1C(=O)N[C@H](c2cccc(Br)c2)C2=C1CCCC2=O ZINC000000067223 452498776 /nfs/dbraw/zinc/49/87/76/452498776.db2.gz AQYKSGSBEYJGCV-CQSZACIVSA-N 0 0 335.201 3.152 50 30 EGEARN CC(O)=C1C(=O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccccc1F ZINC000000082756 452501921 /nfs/dbraw/zinc/50/19/21/452501921.db2.gz HVCJIYUJGLOKAU-MRXNPFEDSA-N 0 0 329.302 3.454 50 30 EGEARN O=C(NCc1ccncc1)c1ccc(C#CC2(O)CCCCC2)cc1 ZINC000000209764 452536470 /nfs/dbraw/zinc/53/64/70/452536470.db2.gz ZNUBYTVKJHAOJO-UHFFFAOYSA-N 0 0 334.419 3.058 50 30 EGEARN COc1ccc(/C=N/NS(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC000000248146 452546457 /nfs/dbraw/zinc/54/64/57/452546457.db2.gz DBODRWHQXQJUNM-CPNJWEJPSA-N 0 0 340.404 3.161 50 30 EGEARN Cc1cc([N+](=O)[O-])c(-c2ccc(/C=N/n3cnnc3)o2)cc1Cl ZINC000000275868 452552632 /nfs/dbraw/zinc/55/26/32/452552632.db2.gz IQCQDNUBVULXSU-NGYBGAFCSA-N 0 0 331.719 3.290 50 30 EGEARN N#Cc1ccccc1NC(=O)c1ccccc1I ZINC000000301492 452556389 /nfs/dbraw/zinc/55/63/89/452556389.db2.gz XVNNZMKFGXIMOR-UHFFFAOYSA-N 0 0 348.143 3.415 50 30 EGEARN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1cccs1 ZINC000000379110 452574257 /nfs/dbraw/zinc/57/42/57/452574257.db2.gz CGIFCPGGCIKYJJ-OAHLLOKOSA-N 0 0 337.400 3.490 50 30 EGEARN CCOc1ccc(/C=N/N2CCN(c3ccccc3)CC2)cc1OC ZINC000000520699 452612255 /nfs/dbraw/zinc/61/22/55/452612255.db2.gz VPQDERHLNDWQGT-LTGZKZEYSA-N 0 0 339.439 3.250 50 30 EGEARN C=C1[C@@H](C(=O)Nc2ccc(F)cc2)[C@@H]1C(=O)Nc1ccc(F)cc1 ZINC000001012198 452641777 /nfs/dbraw/zinc/64/17/77/452641777.db2.gz KGZKFWUCNXIMMX-HZPDHXFCSA-N 0 0 328.318 3.344 50 30 EGEARN O=C(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)c1cccnc1 ZINC000002567006 452704637 /nfs/dbraw/zinc/70/46/37/452704637.db2.gz AWSTYYBNEHHQPS-UHFFFAOYSA-N 0 0 337.166 3.409 50 30 EGEARN C=CCOc1ccc(Cl)cc1/C=C1\SC(NC(C)=O)=NC1=O ZINC000002812549 452728491 /nfs/dbraw/zinc/72/84/91/452728491.db2.gz XIATVVHVMGCUCW-JYRVWZFOSA-N 0 0 336.800 3.011 50 30 EGEARN C=CCOC(=O)/C(=C\c1ccccc1)NC(=O)c1ccccc1OC ZINC000002910621 452734117 /nfs/dbraw/zinc/73/41/17/452734117.db2.gz CZFCCIDFKBIAEU-SAPNQHFASA-N 0 0 337.375 3.195 50 30 EGEARN C=CCOc1ccc(C=C2SC(=O)NC2=O)cc1Br ZINC000002936882 452736655 /nfs/dbraw/zinc/73/66/55/452736655.db2.gz UNJQCVCWDRPEJZ-YRNVUSSQSA-N 0 0 340.198 3.338 50 30 EGEARN N#Cc1c2c(sc1NC(=O)CSc1ncccn1)CCCCC2 ZINC000003248298 452751692 /nfs/dbraw/zinc/75/16/92/452751692.db2.gz NNSKYCUFPYBCCB-UHFFFAOYSA-N 0 0 344.465 3.409 50 30 EGEARN C=CCc1ccccc1OCCOc1cccc(/C=N/n2cnnc2)c1 ZINC000005517753 452879872 /nfs/dbraw/zinc/87/98/72/452879872.db2.gz YDRZYERRGAQAFX-OEAKJJBVSA-N 0 0 348.406 3.347 50 30 EGEARN COc1ccccc1/C=C1\S/C(=N\c2ccccc2O)NC1=O ZINC000005662093 452892287 /nfs/dbraw/zinc/89/22/87/452892287.db2.gz FMCGYLGBVMQUPI-GDNBJRDFSA-N 0 0 326.377 3.292 50 30 EGEARN CC(C)[C@@H]1Cc2c(C#N)c(N)n(-c3ccc(Cl)cc3)c(=O)c2CO1 ZINC000006759149 452984539 /nfs/dbraw/zinc/98/45/39/452984539.db2.gz BHLZQGXUFGONGB-INIZCTEOSA-N 0 0 343.814 3.042 50 30 EGEARN C=C(C)COc1nc2c3c4c(sc3ncn2n1)COC(C)(C)C4 ZINC000012409710 453361969 /nfs/dbraw/zinc/36/19/69/453361969.db2.gz UXXFSEZPUQBLQV-UHFFFAOYSA-N 0 0 330.413 3.145 50 30 EGEARN COc1ccc(/C=N\N2CCN(c3ccc(Cl)cc3)CC2)cc1O ZINC000013111977 453444537 /nfs/dbraw/zinc/44/45/37/453444537.db2.gz ACWQHGALMWELFB-MOSHPQCFSA-N 0 0 345.830 3.210 50 30 EGEARN Cc1ccc(C(=O)C2C(=O)C(=O)N(C)[C@@H]2c2ccc(F)cc2)cc1 ZINC000013123090 453446546 /nfs/dbraw/zinc/44/65/46/453446546.db2.gz FRWHTNXFOYTGPX-MRXNPFEDSA-N 0 0 325.339 3.342 50 30 EGEARN CCOc1cccc(/C=N/CCc2ccc(OC)c(OC)c2)c1O ZINC000013119150 453447427 /nfs/dbraw/zinc/44/74/27/453447427.db2.gz CCUKNOCAQYSSGM-DEDYPNTBSA-N 0 0 329.396 3.470 50 30 EGEARN C#CCN1C(=O)S/C(=C\c2cccc(OC)c2OC(C)C)C1=O ZINC000014011476 453498396 /nfs/dbraw/zinc/49/83/96/453498396.db2.gz FDKKCWRXIRHPHS-UVTDQMKNSA-N 0 0 331.393 3.152 50 30 EGEARN N#Cc1c(F)c(Br)ccc1I ZINC000015443824 453574419 /nfs/dbraw/zinc/57/44/19/453574419.db2.gz VCRQPVFNRGOPIK-UHFFFAOYSA-N 0 0 325.906 3.064 50 30 EGEARN C=CCN(CC=C)S(=O)(=O)c1ccc(Cl)c(Cl)c1OC ZINC000031903952 453857145 /nfs/dbraw/zinc/85/71/45/453857145.db2.gz FPWMDHDYVRNZQM-UHFFFAOYSA-N 0 0 336.240 3.365 50 30 EGEARN O=C(CCCc1ccccc1)NCC#CCN1CCc2ccccc2C1 ZINC000075165014 453868631 /nfs/dbraw/zinc/86/86/31/453868631.db2.gz INGQDLNFKSVXSW-UHFFFAOYSA-N 0 0 346.474 3.187 50 30 EGEARN COc1ccccc1C[C@H](C#N)C(=O)Nc1ccc(OC)c(OC)c1 ZINC000057523422 454134669 /nfs/dbraw/zinc/13/46/69/454134669.db2.gz NDKDGZUIJJLTCD-CQSZACIVSA-N 0 0 340.379 3.033 50 30 EGEARN O=[N+]([O-])c1ccc(/C=C\C=N\N=C\C=C/c2ccc([N+](=O)[O-])o2)o1 ZINC000071770514 454217342 /nfs/dbraw/zinc/21/73/42/454217342.db2.gz SUADWMOTMGDFFO-CCQWYCAXSA-N 0 0 330.256 3.472 50 30 EGEARN C#CCn1c2c(cccc2C)s/c1=N\C(=O)c1ccc(C#N)cc1 ZINC000100910027 454468595 /nfs/dbraw/zinc/46/85/95/454468595.db2.gz DEQNNSKXLQGREV-VZCXRCSSSA-N 0 0 331.400 3.257 50 30 EGEARN N#Cc1ccnc(N2CCC3(CCC(=O)N(C4CCCC4)C3)CC2)c1 ZINC000092038527 454507059 /nfs/dbraw/zinc/50/70/59/454507059.db2.gz MORJJBNUYFIXMG-UHFFFAOYSA-N 0 0 338.455 3.105 50 30 EGEARN C=CCOc1ccccc1[C@@H]1CC(=O)NCc2nc3cc(C)ccn3c21 ZINC000065371797 454555468 /nfs/dbraw/zinc/55/54/68/454555468.db2.gz BWHVQOYEQRMYPF-INIZCTEOSA-N 0 0 347.418 3.359 50 30 EGEARN C[C@]12C[C@@H](O)[C@@H]3[C@H](CCC4=CC(=O)C=C[C@@]43C)[C@H]1CC/C2=C/CO ZINC000257356028 455897895 /nfs/dbraw/zinc/89/78/95/455897895.db2.gz FIMYJWIQTVIDQB-BCOYPQHCSA-N 0 0 328.452 3.184 50 30 EGEARN C[C@@]12C[C@H](O)[C@@H]3[C@H](CCC4=CC(=O)C=C[C@@]43C)[C@H]1CC/C2=C/CO ZINC000257356032 455898192 /nfs/dbraw/zinc/89/81/92/455898192.db2.gz FIMYJWIQTVIDQB-KRLIUDDKSA-N 0 0 328.452 3.184 50 30 EGEARN C=CC[C@H]1C=C(C)C[C@H](CC=C)N1C(=O)c1cccc(-n2cnnc2)n1 ZINC000055404824 519118438 /nfs/dbraw/zinc/11/84/38/519118438.db2.gz WDNXGUYUQHWSFF-IRXDYDNUSA-N 0 0 349.438 3.344 50 30 EGEARN COc1cc(C=Nn2cn[nH]c2=S)ccc1OCc1ccccc1 ZINC000005543933 522000685 /nfs/dbraw/zinc/00/06/85/522000685.db2.gz LHDGDTRITSHBIN-VXLYETTFSA-N 0 0 340.408 3.410 50 30 EGEARN C[C@@H]1CN(c2snnc2/C=C/C(=O)c2ccccc2)C[C@H](C)O1 ZINC000016949770 525077666 /nfs/dbraw/zinc/07/76/66/525077666.db2.gz WOHAKMRPKXRXBF-UVHIWXSVSA-N 0 0 329.425 3.048 50 30 EGEARN Cc1ccc2c(c1)[C@@](O)(CC(=O)C=CC=Cc1ccccc1)C(=O)N2 ZINC000001832016 526196091 /nfs/dbraw/zinc/19/60/91/526196091.db2.gz OIXSHZJIDWYQQO-DVFCLZDLSA-N 0 0 333.387 3.364 50 30 biogenic EGEARN Oc1ccc(C=NN2C(=S)N=NC2c2ccc(Cl)cc2)cc1 ZINC000239164923 526343200 /nfs/dbraw/zinc/34/32/00/526343200.db2.gz NENRBIJBQMFWHH-UHFFFAOYSA-N 0 0 330.800 3.475 50 30 EGEARN O=C(CC1CCCC1)N1CCCN(C(=O)NCc2cccs2)CC1 ZINC000329270481 547494457 /nfs/dbraw/zinc/49/44/57/547494457.db2.gz HDSHECUWKAGMNO-UHFFFAOYSA-N 0 0 349.500 3.277 50 30 EGEARN C=CCSc1nc2c(c(=O)[nH]1)[C@@H](c1c(F)cccc1F)CC(=O)N2 ZINC000820497027 1319899270 /nfs/dbraw/zinc/89/92/70/1319899270.db2.gz XZIDTAPMZNSLAQ-MRVPVSSYSA-N 0 0 349.362 3.213 50 30 EGEARN C=CC[C@H]1C=C(C)C[C@H](CC=C)[N@H+]1CC(=O)Nc1cn(C)nc1C ZINC001704312489 1416439067 /nfs/dbraw/zinc/43/90/67/1416439067.db2.gz DJGIGZWKOQNEMD-IRXDYDNUSA-N 0 0 328.460 3.208 50 30 EGEARN CCCCCCCCN1CC(=O)C(c2nc3ccccc3[nH]2)=C1N ZINC000097993326 219066435 /nfs/dbraw/zinc/06/64/35/219066435.db2.gz XPZIUKNGTGECCJ-UHFFFAOYSA-N 0 0 326.444 3.435 50 30 EGEARN C#CCOc1ccc(C=NNc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000004656225 210238193 /nfs/dbraw/zinc/23/81/93/210238193.db2.gz SOQDFSCTEVCCBN-LDADJPATSA-N 0 0 325.324 3.061 50 30 EGEARN COC(=O)c1sc(NC(=O)COc2cccc(C)c2)c(C#N)c1C ZINC000004537778 210217098 /nfs/dbraw/zinc/21/70/98/210217098.db2.gz IIWFAIJWKVWBTH-UHFFFAOYSA-N 0 0 344.392 3.041 50 30 EGEARN CC1(C)CC(=O)C2=C(C1)NC(=O)C[C@H]2C(=O)Nc1ccc(Cl)cc1 ZINC000100418180 219098371 /nfs/dbraw/zinc/09/83/71/219098371.db2.gz SGQWPKUDDYBADT-GFCCVEGCSA-N 0 0 346.814 3.058 50 30 EGEARN NC(=O)CCn1cc(/C=C2\Cc3ccccc3C2=O)c2ccccc21 ZINC000004459019 210195561 /nfs/dbraw/zinc/19/55/61/210195561.db2.gz QZSFIWYLSSIBAV-NTCAYCPXSA-N 0 0 330.387 3.339 50 30 EGEARN N#CCOc1ccc2c(c1)oc(=O)cc2-c1cc2ccccc2oc1=O ZINC000004340012 210175944 /nfs/dbraw/zinc/17/59/44/210175944.db2.gz ZJKQVJLYGZKQAG-UHFFFAOYSA-N 0 0 345.310 3.469 50 30 EGEARN COc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCCCC2)cc1 ZINC000003354144 210016322 /nfs/dbraw/zinc/01/63/22/210016322.db2.gz FJMSWNVLRMXQBK-UHFFFAOYSA-N 0 0 338.411 3.098 50 30 EGEARN COc1ccc(N[C@@H]2CCCN(c3cccc(C#N)n3)C2)cc1OC ZINC000072122275 216014865 /nfs/dbraw/zinc/01/48/65/216014865.db2.gz JBUXBAWHDFANOD-MRXNPFEDSA-N 0 0 338.411 3.051 50 30 EGEARN COc1cc(OC)c(OC)cc1/C=N/C[C@@H]1OCCc2ccccc21 ZINC000000174651 209464470 /nfs/dbraw/zinc/46/44/70/209464470.db2.gz IQKQNFKKKWZNTI-JLDPKJTDSA-N 0 0 341.407 3.445 50 30 biogenic EGEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccncc1 ZINC000020560948 212147575 /nfs/dbraw/zinc/14/75/75/212147575.db2.gz UNBFDZJSHAWRKP-KRWDZBQOSA-N 0 0 326.396 3.003 50 30 EGEARN CNc1oc(-c2ccc(COc3ccc(OC)cc3)o2)nc1C#N ZINC000012418935 211375328 /nfs/dbraw/zinc/37/53/28/211375328.db2.gz GGZCMQLPPUXHJI-UHFFFAOYSA-N 0 0 325.324 3.436 50 30 EGEARN COc1cc(/C=C2\Oc3cc(O)ccc3C2=O)cc(OC)c1OC ZINC000012418462 211374511 /nfs/dbraw/zinc/37/45/11/211374511.db2.gz BJFMTVYSEMXVAK-NSIKDUERSA-N 0 0 328.320 3.034 50 30 biogenic EGEARN C=CCOc1ccc([C@@H]2c3c(=O)[nH][nH]c3NC3=C2C(=O)CCC3)cc1 ZINC000012347298 211353939 /nfs/dbraw/zinc/35/39/39/211353939.db2.gz NXWZTHHBIOTFNT-HNNXBMFYSA-N 0 0 337.379 3.245 50 30 EGEARN CCCCC[C@@H](CC)N1CC(=O)C(c2nc3ccccc3[nH]2)=C1N ZINC000011692125 211235102 /nfs/dbraw/zinc/23/51/02/211235102.db2.gz ZATDHOHBRREYOW-CYBMUJFWSA-N 0 0 326.444 3.434 50 30 EGEARN C=CCCC(=O)N1CCC2(CCC(=O)N(Cc3ccccc3)C2)CC1 ZINC000091770090 218063720 /nfs/dbraw/zinc/06/37/20/218063720.db2.gz HGHXQISUWSENLY-UHFFFAOYSA-N 0 0 340.467 3.384 50 30 EGEARN Cc1cccc2[nH]c(C3CCN(C(=O)c4ccc(C#N)nc4)CC3)nc21 ZINC000091846040 218076389 /nfs/dbraw/zinc/07/63/89/218076389.db2.gz KAGKFMMWHSUOSK-UHFFFAOYSA-N 0 0 345.406 3.158 50 30 EGEARN C=CC[C@@]1(CO)CCCN(C(=O)c2ccc(N3CCCC3)cc2)C1 ZINC000092076855 218115582 /nfs/dbraw/zinc/11/55/82/218115582.db2.gz PJROKHTYJKRQIJ-HXUWFJFHSA-N 0 0 328.456 3.078 50 30 EGEARN COc1ccc(-c2nnc3ccc(Oc4ccc(C#N)cc4)nn32)cc1 ZINC000009135203 211044854 /nfs/dbraw/zinc/04/48/54/211044854.db2.gz DNCWQJAVMWANIY-UHFFFAOYSA-N 0 0 343.346 3.464 50 30 EGEARN O=C1CCCC2=Nc3ncnn3[C@@H](c3ccc(Br)cc3)C12 ZINC000000066991 296317014 /nfs/dbraw/zinc/31/70/14/296317014.db2.gz UPWBPVRNDNEUDK-AWEZNQCLSA-N 0 0 345.200 3.063 50 30 EGEARN Cc1cccc(C[C@@H]2S/C(=N\N=C\c3cccs3)NC2=O)c1 ZINC000005048924 210374219 /nfs/dbraw/zinc/37/42/19/210374219.db2.gz XNAHVTAYDZVMIW-FBJMNJBLSA-N 0 0 329.450 3.221 50 30 EGEARN Cc1ccccc1/C=N/N=C1\NC(=O)[C@H](Cc2ccccc2C)S1 ZINC000004964803 210341951 /nfs/dbraw/zinc/34/19/51/210341951.db2.gz HFWGFIWUUIHVID-RONKMWSCSA-N 0 0 337.448 3.468 50 30 EGEARN C=CCN1C(=O)/C(=C\c2coc3ccccc3c2=O)SC1=S ZINC000004917270 210322122 /nfs/dbraw/zinc/32/21/22/210322122.db2.gz SYUXARPVCFNXSU-MDWZMJQESA-N 0 0 329.402 3.180 50 30 EGEARN CSc1nc2n(n1)[C@@H](c1sccc1C)C1C(=O)CCCC1=N2 ZINC000004776998 210275766 /nfs/dbraw/zinc/27/57/66/210275766.db2.gz UTQBIBLBFMUCDQ-GFCCVEGCSA-N 0 0 332.454 3.392 50 30 EGEARN CC[C@H](C(=O)Nc1sc(C(N)=O)c(C)c1C#N)c1ccccc1 ZINC000004750064 210270136 /nfs/dbraw/zinc/27/01/36/210270136.db2.gz PLRRVGLBMOQTOF-LBPRGKRZSA-N 0 0 327.409 3.159 50 30 EGEARN CCSC1=N/C(=C\c2cc(OC)c(OC)c(OC)c2)C(=O)S1 ZINC000004755317 210272041 /nfs/dbraw/zinc/27/20/41/210272041.db2.gz HMCMRJNNMLUOLJ-POHAHGRESA-N 0 0 339.438 3.436 50 30 EGEARN C=CCOc1ccc(NS(=O)(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000006706782 258044575 /nfs/dbraw/zinc/04/45/75/258044575.db2.gz ILEQZWKSUGRVMV-UHFFFAOYSA-N 0 0 349.408 3.069 50 30 EGEARN COc1ccccc1C=CC=NN1C(=S)N=NC1c1cccnc1 ZINC000002587454 258049907 /nfs/dbraw/zinc/04/99/07/258049907.db2.gz VXTMJFZKRZVPTD-SPJXWURQSA-N 0 0 337.408 3.185 50 30 EGEARN CN(Cc1c[nH]nc1-c1ccc(F)cc1)C(=O)c1cccc(C#N)c1 ZINC000055061102 258061102 /nfs/dbraw/zinc/06/11/02/258061102.db2.gz YZJXZHQKEXAVJH-UHFFFAOYSA-N 0 0 334.354 3.360 50 30 EGEARN N#Cc1ccnc(N2CCC(CO)(CCOc3ccccc3)CC2)c1 ZINC000071439987 132814178 /nfs/dbraw/zinc/81/41/78/132814178.db2.gz SRUFANPVXNXHDI-UHFFFAOYSA-N 0 0 337.423 3.001 50 30 EGEARN COC(=O)c1ccc([C@@H]2c3c(C)noc3NC3=C2C(=O)CCC3)cc1 ZINC000012804480 292016636 /nfs/dbraw/zinc/01/66/36/292016636.db2.gz UOPSCFTWGGBLTN-MRXNPFEDSA-N 0 0 338.363 3.334 50 30 EGEARN C[C@@H]1C[C@H](C)CN(C(=O)CSc2nc3c(cc2C#N)CCC3)C1 ZINC000215682500 267086631 /nfs/dbraw/zinc/08/66/31/267086631.db2.gz VINHSZBNEYTQEN-BETUJISGSA-N 0 0 329.469 3.039 50 30 EGEARN C=C(C)Cn1cnc2c(sc3nc(N4CCCC4)cc(C)c32)c1=O ZINC000071283869 275418650 /nfs/dbraw/zinc/41/86/50/275418650.db2.gz UYZPTFUZLWLKRM-UHFFFAOYSA-N 0 0 340.452 3.491 50 30 EGEARN CCOC(=O)c1c(NC(=O)C#Cc2ccccc2)sc2c1CCC2 ZINC000000227450 276296758 /nfs/dbraw/zinc/29/67/58/276296758.db2.gz OQSRTEAJPLICRK-UHFFFAOYSA-N 0 0 339.416 3.404 50 30 EGEARN CN(/C(=N\S(=O)(=O)c1ccccc1)C(F)(F)F)c1ccccc1 ZINC000100518871 288773014 /nfs/dbraw/zinc/77/30/14/288773014.db2.gz QXSIAMYYYLVOPV-RGEXLXHISA-N 0 0 342.342 3.473 50 30 EGEARN Cc1ccc(O)c([C@@H]2c3c(=O)[nH][nH]c3NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000018195587 301654833 /nfs/dbraw/zinc/65/48/33/301654833.db2.gz MVADLTRLYGCRIR-AWEZNQCLSA-N 0 0 339.395 3.330 50 30 EGEARN N#C[C@@H]1Cn2c(nc3c(c2=O)C2(CCCC2)Cc2ccccc2-3)S1 ZINC000000187120 303163612 /nfs/dbraw/zinc/16/36/12/303163612.db2.gz IFGXGQPWAMQGSM-CYBMUJFWSA-N 0 0 335.432 3.276 50 30 EGEARN O=C1CCCC2=Nc3ncnn3[C@H](c3ccc(Br)cc3)C12 ZINC000000066995 452499078 /nfs/dbraw/zinc/49/90/78/452499078.db2.gz UPWBPVRNDNEUDK-CQSZACIVSA-N 0 0 345.200 3.063 50 30 EGEARN C#C[C@@](C)(CC)NC(=O)c1cc2cc(Br)ccc2oc1=O ZINC000000099822 452505681 /nfs/dbraw/zinc/50/56/81/452505681.db2.gz CGOOIZIIJMLJDB-INIZCTEOSA-N 0 0 348.196 3.087 50 30 EGEARN N#Cc1ccc([C@H](O)COc2ncnc3cc(Cl)ccc32)cc1 ZINC000000154261 452523647 /nfs/dbraw/zinc/52/36/47/452523647.db2.gz URDPIQKTCYNWMW-MRXNPFEDSA-N 0 0 325.755 3.267 50 30 EGEARN Cc1nc2sc3c(c2c(=O)n1/N=C/c1ccccc1O)CCCC3 ZINC000000301122 452556349 /nfs/dbraw/zinc/55/63/49/452556349.db2.gz VVRUIRHNHWPGPM-VXLYETTFSA-N 0 0 339.420 3.233 50 30 EGEARN C=C1[C@H](C(=O)Nc2ccccc2F)[C@H]1C(=O)Nc1ccccc1F ZINC000000350431 452568615 /nfs/dbraw/zinc/56/86/15/452568615.db2.gz MGKPWIQRHNFDDV-HOTGVXAUSA-N 0 0 328.318 3.344 50 30 EGEARN NC(=O)c1c(/N=C/c2ccc([N+](=O)[O-])cc2)sc2c1CCCC2 ZINC000000354851 452570569 /nfs/dbraw/zinc/57/05/69/452570569.db2.gz ONZDXOFZMDFWBL-GIJQJNRQSA-N 0 0 329.381 3.385 50 30 EGEARN COc1ccc(/C=N/NC(N)=S)cc1OCc1ccc(Cl)cc1 ZINC000000478848 452603680 /nfs/dbraw/zinc/60/36/80/452603680.db2.gz QKLZUPKPHGXROQ-DJKKODMXSA-N 0 0 349.843 3.095 50 30 EGEARN CCOC(=O)[C@H](OS(=O)(=O)c1ccc(C)cc1)c1ccccc1 ZINC000002172781 452688276 /nfs/dbraw/zinc/68/82/76/452688276.db2.gz PULJAZHCGDDGFR-MRXNPFEDSA-N 0 0 334.393 3.005 50 30 EGEARN C=CCNC(=S)Nc1c2cc(Cl)ccc2[nH]c1C(=O)OCC ZINC000002322114 452693645 /nfs/dbraw/zinc/69/36/45/452693645.db2.gz DUORBEKBTZCILA-UHFFFAOYSA-N 0 0 337.832 3.470 50 30 EGEARN CCOC(=O)C1=C(CC)NC2=C(C(=O)CCC2)[C@H]1c1cccnc1 ZINC000004126621 452794593 /nfs/dbraw/zinc/79/45/93/452794593.db2.gz BNHNJHJFNZBBMZ-MRXNPFEDSA-N 0 0 326.396 3.003 50 30 EGEARN COc1ccc(CNC(=S)N/N=C(\C)c2ccc(OC)cc2)cc1 ZINC000004785203 452819254 /nfs/dbraw/zinc/81/92/54/452819254.db2.gz XYZCCHDQSRNKTP-DEDYPNTBSA-N 0 0 343.452 3.092 50 30 EGEARN C/C(=C1\C(=O)C[C@@H]2[C@H]1C2(C)C)N1CCN(c2ccc(F)cc2)CC1 ZINC000005163768 452843093 /nfs/dbraw/zinc/84/30/93/452843093.db2.gz FHRJLIBVKIONQH-CWMDBPFZSA-N 0 0 328.431 3.467 50 30 EGEARN CC1CCN(CC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)CC1 ZINC000005524018 452880821 /nfs/dbraw/zinc/88/08/21/452880821.db2.gz KVTRMBWBQOOITL-ZDUSSCGKSA-N 0 0 331.485 3.415 50 30 EGEARN C=CCOc1ccccc1/C=c1\sc2nc3ccccc3n2c1=O ZINC000005517729 452881522 /nfs/dbraw/zinc/88/15/22/452881522.db2.gz FXLBTISCWWOWEM-ATVHPVEESA-N 0 0 334.400 3.022 50 30 EGEARN N#Cc1ccc(OCC(=O)Nc2ccc(Br)cc2F)cc1 ZINC000006377261 452939211 /nfs/dbraw/zinc/93/92/11/452939211.db2.gz IVUXNEPTWAMHKY-UHFFFAOYSA-N 0 0 349.159 3.477 50 30 EGEARN COc1ccc2[nH]c(SCC(=O)Nc3ccccc3C#N)nc2c1 ZINC000006498660 452948818 /nfs/dbraw/zinc/94/88/18/452948818.db2.gz WDSGUKKNVUKPOL-UHFFFAOYSA-N 0 0 338.392 3.174 50 30 EGEARN CCc1ccc(-n2nnc(C(=O)Nc3ccccc3C#N)c2C)cc1 ZINC000008021814 453151178 /nfs/dbraw/zinc/15/11/78/453151178.db2.gz PQLNFKPRNDBPOK-UHFFFAOYSA-N 0 0 331.379 3.262 50 30 EGEARN Cc1ccccc1/N=C1/NC(=O)C(Cc2ccccc2[N+](=O)[O-])S1 ZINC000013477817 453468468 /nfs/dbraw/zinc/46/84/68/453468468.db2.gz ZZJKFWRMDZTKAA-HNNXBMFYSA-N 0 0 341.392 3.365 50 30 EGEARN COc1ccccc1/C=C1\Oc2c(ccc([O-])c2C[NH+](C)C)C1=O ZINC000013653597 453478583 /nfs/dbraw/zinc/47/85/83/453478583.db2.gz GYLNOABESDDCBO-YVLHZVERSA-N 0 0 325.364 3.079 50 30 EGEARN CC#CC(=O)N1CCC[C@@H](C(=O)c2ccc3cc(OC)ccc3c2)C1 ZINC000014974624 453549552 /nfs/dbraw/zinc/54/95/52/453549552.db2.gz NFYGMBNGSSIADT-GOSISDBHSA-N 0 0 335.403 3.293 50 30 EGEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(C)[C@@H]2c2ccccc2F)cc1 ZINC000017146407 453629669 /nfs/dbraw/zinc/62/96/69/453629669.db2.gz VWLPEKBLJHROIX-MRXNPFEDSA-N 0 0 325.339 3.342 50 30 EGEARN Cc1ccccc1OCc1nc(C#N)c(N2C[C@@H](C)O[C@@H](C)C2)o1 ZINC000018116258 453644196 /nfs/dbraw/zinc/64/41/96/453644196.db2.gz QXUHKKVFLBLWAA-OKILXGFUSA-N 0 0 327.384 3.047 50 30 EGEARN CC1(C)CC(=O)C2=C(C1)Nc1[nH][nH]c(=O)c1[C@H]2c1ccccc1O ZINC000018195178 453647579 /nfs/dbraw/zinc/64/75/79/453647579.db2.gz YKANEOCZZGTQLO-ZDUSSCGKSA-N 0 0 325.368 3.022 50 30 EGEARN CCOC(=O)c1sc2nc(N)c(C#N)c(-c3cccs3)c2c1N ZINC000021630100 453679789 /nfs/dbraw/zinc/67/97/89/453679789.db2.gz WVJNNHIFOZFXMV-UHFFFAOYSA-N 0 0 344.421 3.238 50 30 EGEARN N#Cc1nc(COc2ccc3c(c2)OCO3)oc1NCc1ccco1 ZINC000032092918 453863744 /nfs/dbraw/zinc/86/37/44/453863744.db2.gz YUYIEOKEXXRIRZ-UHFFFAOYSA-N 0 0 339.307 3.059 50 30 EGEARN CC(C)CCN1C[C@@]2(CCCN(c3ccc(C#N)cn3)C2)CCC1=O ZINC000077319113 454090287 /nfs/dbraw/zinc/09/02/87/454090287.db2.gz CZQDKSWTBXMJRM-FQEVSTJZSA-N 0 0 340.471 3.208 50 30 EGEARN CCc1nc(C)sc1Cn1ccnc1-c1ccc(C#CCO)s1 ZINC000077406740 454102486 /nfs/dbraw/zinc/10/24/86/454102486.db2.gz GCOQHDGZWGNHBY-UHFFFAOYSA-N 0 0 343.477 3.331 50 30 EGEARN COc1cccc(NC(=O)[C@@H](C#N)Cc2cc(OC)ccc2OC)c1 ZINC000057525149 454134659 /nfs/dbraw/zinc/13/46/59/454134659.db2.gz IRJOUSKROFWFSR-CQSZACIVSA-N 0 0 340.379 3.033 50 30 EGEARN CCOc1ccccc1NC(=O)[C@H](C#N)Cc1ccc(O)c(OC)c1 ZINC000057523404 454134788 /nfs/dbraw/zinc/13/47/88/454134788.db2.gz CLHRAWKSLAOOTM-AWEZNQCLSA-N 0 0 340.379 3.120 50 30 EGEARN COc1ccc(C(=O)[C@H]2CCCN(c3cc(C#N)ccn3)C2)cc1F ZINC000071764110 454217029 /nfs/dbraw/zinc/21/70/29/454217029.db2.gz GTTRAGHHPYJBNF-HNNXBMFYSA-N 0 0 339.370 3.200 50 30 EGEARN N#Cc1ccc(OC2CCN(C(=O)/C=C/c3ccccc3)CC2)nc1 ZINC000090607625 454327251 /nfs/dbraw/zinc/32/72/51/454327251.db2.gz ROYWMBWOHNIBEZ-VQHVLOKHSA-N 0 0 333.391 3.036 50 30 EGEARN COc1ccc(NC=CC(=O)c2ccc3c(c2)OCO3)cc1OC ZINC000100467160 454466241 /nfs/dbraw/zinc/46/62/41/454466241.db2.gz JSQHBZDOTOUVSJ-FPLPWBNLSA-N 0 0 327.336 3.241 50 30 EGEARN C#CCn1c2ccc(F)cc2s/c1=N\C(=O)c1ccccc1F ZINC000100875405 454467533 /nfs/dbraw/zinc/46/75/33/454467533.db2.gz LHHLOKLCSVSYFT-JZJYNLBNSA-N 0 0 328.343 3.355 50 30 EGEARN O=C1CN2c3sc4c(c3C(=O)NC2=C1c1ccccc1)CCCC4 ZINC000101381166 454470155 /nfs/dbraw/zinc/47/01/55/454470155.db2.gz FPYFAIAZVCZXJE-UHFFFAOYSA-N 0 0 336.416 3.128 50 30 EGEARN Cc1nc(-c2ccc(C#CC(C)(C)O)o2)n(-c2ccc(F)cc2)n1 ZINC000065408173 454561239 /nfs/dbraw/zinc/56/12/39/454561239.db2.gz XYQUBFJYRYGPKB-UHFFFAOYSA-N 0 0 325.343 3.097 50 30 EGEARN C[C@H]1C[C@H]2[C@H]3CC[C@](C)(O)[C@]3(C)C[C@@H](O)[C@@H]2[C@@]2(C)CCC(=O)C=C12 ZINC000257357099 455897744 /nfs/dbraw/zinc/89/77/44/455897744.db2.gz LZRQDFQQYIQZLG-PYZHNPBJSA-N 0 0 332.484 3.486 50 30 EGEARN C=CCN1C(=O)[C@](O)(CC(=O)c2cccs2)c2cc(Cl)ccc21 ZINC000005267439 518848702 /nfs/dbraw/zinc/84/87/02/518848702.db2.gz AEYAJPNMBIANAJ-KRWDZBQOSA-N 0 0 347.823 3.395 50 30 EGEARN C=CCN1c2ccccc2[C@@](O)(CC(=O)C=Cc2ccccc2)C1=O ZINC000000299871 518876950 /nfs/dbraw/zinc/87/69/50/518876950.db2.gz KLNMNCREQVFYHE-IWGBCORSSA-N 0 0 333.387 3.079 50 30 EGEARN C=CCn1nnnc1SCC(=O)c1ccc(Cl)c(Cl)c1 ZINC000004176440 519290982 /nfs/dbraw/zinc/29/09/82/519290982.db2.gz PTVUYQLEASRXPT-UHFFFAOYSA-N 0 0 329.212 3.141 50 30 EGEARN C[C@@H](C/N=C/c1ccc2c(c1)OCO2)/N=C/c1ccc2c(c1)OCO2 ZINC000000529001 524309596 /nfs/dbraw/zinc/30/95/96/524309596.db2.gz NLRMZZTTXIWARR-CIOMMYQFSA-N 0 0 338.363 3.071 50 30 EGEARN Cc1cc(C)nc(N=NCc2ccc(OC(=O)c3ccncc3)cc2)n1 ZINC000004183125 524577117 /nfs/dbraw/zinc/57/71/17/524577117.db2.gz BVOWDPOEMRUCLH-CIAFOILYSA-N 0 0 347.378 3.154 50 30 EGEARN COc1cccc(/C(C)=N\N2CCN(c3ccccc3OC)CC2)c1 ZINC000005058980 525758394 /nfs/dbraw/zinc/75/83/94/525758394.db2.gz UTEQKVGIGNGNQB-PGMHBOJBSA-N 0 0 339.439 3.250 50 30 EGEARN N#CC[C@@H](CNc1ncc(C(F)(F)F)cc1Cl)OC(=O)C1CC1 ZINC000020404946 526480655 /nfs/dbraw/zinc/48/06/55/526480655.db2.gz LZAIOJCPPZMFMP-JTQLQIEISA-N 0 0 347.724 3.401 50 30 EGEARN N#CCC(=O)c1ccc(C(F)(F)F)c(I)c1 ZINC000169801632 564017223 /nfs/dbraw/zinc/01/72/23/564017223.db2.gz NIJSQXAHJWBEOK-UHFFFAOYSA-N 0 0 339.054 3.406 50 30 EGEARN C=CCOc1ccc2c(c1)NC(=O)C[C@H]2c1cnc(NCCC)nc1 ZINC000065528077 1292081350 /nfs/dbraw/zinc/08/13/50/1292081350.db2.gz TWNKHIMXZXXHGL-INIZCTEOSA-N 0 0 338.411 3.337 50 30 EGEARN C=CCc1cc(C(=O)N[C@@H](C)c2nncn2C(C)C)ccc1OC ZINC000820505701 1319902308 /nfs/dbraw/zinc/90/23/08/1319902308.db2.gz WCZFSPDWDXOZMA-ZDUSSCGKSA-N 0 0 328.416 3.087 50 30 EGEARN C=C(C)COc1c(CN[C@@H](CO)c2ccccc2)cccc1OC ZINC000055072280 214268723 /nfs/dbraw/zinc/26/87/23/214268723.db2.gz JOXNRHDRGMELRM-SFHVURJKSA-N 0 0 327.424 3.473 50 30 EGEARN C=C(C)COc1ccc(C(=O)N2CCCC[C@H]2C(=O)OCC)cc1 ZINC000055155016 214280789 /nfs/dbraw/zinc/28/07/89/214280789.db2.gz OLKVEPAEVJBIOV-KRWDZBQOSA-N 0 0 331.412 3.199 50 30 EGEARN C=CCn1cc(CN2CCN(c3ccccc3OCC)CC2)c(C)n1 ZINC000055358020 214312018 /nfs/dbraw/zinc/31/20/18/214312018.db2.gz WGEHWIYHQUGMFR-UHFFFAOYSA-N 0 0 340.471 3.098 50 30 EGEARN CSc1nc2c(c(=O)[nH]1)[C@H](c1ccccc1)C1=C(CCCC1=O)N2 ZINC000004194079 295687637 /nfs/dbraw/zinc/68/76/37/295687637.db2.gz MYGNPEXSQCEOSW-CYBMUJFWSA-N 0 0 339.420 3.056 50 30 EGEARN Cc1ccc(Cl)c2c1NC(=O)[C@@]2(O)CC(=O)C=Cc1ccco1 ZINC000004544879 210219564 /nfs/dbraw/zinc/21/95/64/210219564.db2.gz DSKUMVGAJLCADI-FUTAKVPZSA-N 0 0 331.755 3.054 50 30 EGEARN CCOC(=O)c1ccccc1NC1=C([N+](=O)[O-])C(=O)CC(C)(C)C1 ZINC000100358571 219097284 /nfs/dbraw/zinc/09/72/84/219097284.db2.gz HYQCMKYAZAJWTD-UHFFFAOYSA-N 0 0 332.356 3.153 50 30 EGEARN Cc1c(O)ccc(CN=Nc2nnc(Cl)c3ccccc32)c1O ZINC000004481872 210199735 /nfs/dbraw/zinc/19/97/35/210199735.db2.gz CMMAINNXPWKUSM-QGMBQPNBSA-N 0 0 328.759 3.449 50 30 EGEARN COc1ccc(CNC2=C(Cl)C(=O)c3ccccc3C2=O)cc1 ZINC000100735151 219105250 /nfs/dbraw/zinc/10/52/50/219105250.db2.gz HHILFIZSXKPWCP-UHFFFAOYSA-N 0 0 327.767 3.314 50 30 EGEARN O=C1CC(=NNc2nc(-c3cccc(O)c3)cs2)c2ccccc21 ZINC000004186863 210142556 /nfs/dbraw/zinc/14/25/56/210142556.db2.gz IJUOIRMCCFIGCW-HMMYKYKNSA-N 0 0 335.388 3.340 50 30 EGEARN CO/N=C/c1ccc(Oc2ccc(NC(C)=O)cc2)c([N+](=O)[O-])c1 ZINC000004088050 210117047 /nfs/dbraw/zinc/11/70/47/210117047.db2.gz WTVHIFHGSMIRTR-LICLKQGHSA-N 0 0 329.312 3.326 50 30 EGEARN COc1cccc(C(=O)C=C2NCCc3cc(OC)c(OC)cc32)c1 ZINC000004084241 210116825 /nfs/dbraw/zinc/11/68/25/210116825.db2.gz GGANUQOGQFRQCB-ATVHPVEESA-N 0 0 339.391 3.082 50 30 biogenic EGEARN C=CCN1C(=O)[C@H](Cc2ccccc2)S/C1=N/N=C/c1ccco1 ZINC000004075947 210112953 /nfs/dbraw/zinc/11/29/53/210112953.db2.gz FNZMMCQYVQMZBQ-LYHVSDRMSA-N 0 0 339.420 3.342 50 30 EGEARN O=C(Nc1ccc([N+](=O)[O-])cc1)C(F)(F)C(F)(F)C(F)(F)F ZINC000004016752 210100516 /nfs/dbraw/zinc/10/05/16/210100516.db2.gz HQOLLMKLYTYSHA-UHFFFAOYSA-N 0 0 334.147 3.366 50 30 EGEARN COc1cc(CN=Nc2ccccc2[N+](=O)[O-])cc(OC)c1OC ZINC000003896813 210086608 /nfs/dbraw/zinc/08/66/08/210086608.db2.gz IKRRFUFCPFSPDI-LICLKQGHSA-N 0 0 331.328 3.067 50 30 EGEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(C)[C@@H]2c2ccccc2F)cc1 ZINC000102862531 219236631 /nfs/dbraw/zinc/23/66/31/219236631.db2.gz KMYZXCDCGFYLJA-IBOXJLQUSA-N 0 0 325.339 3.186 50 30 EGEARN CC1(C)C=CCCOCC1N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000043761483 213596605 /nfs/dbraw/zinc/59/66/05/213596605.db2.gz VZRMPAKYEAPSOW-RQSLADKVSA-N 0 0 334.332 3.274 50 30 EGEARN O=C(O/N=C/c1cccc([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000002744332 209901019 /nfs/dbraw/zinc/90/10/19/209901019.db2.gz CHNWQXQWULBVJG-LZYBPNLTSA-N 0 0 349.686 3.347 50 30 EGEARN N#CC(=NNc1ccc([N+](=O)[O-])cc1)C(=O)c1ccccc1Cl ZINC000103743972 219322901 /nfs/dbraw/zinc/32/29/01/219322901.db2.gz SAWHPADPYSZDPG-XMHGGMMESA-N 0 0 328.715 3.423 50 30 EGEARN C=CCOc1ccc(C(=O)N[C@@H](C)[C@@H]2COc3ccccc3O2)cc1 ZINC000002090205 209818455 /nfs/dbraw/zinc/81/84/55/209818455.db2.gz MSNMEVMJLUCFLP-LIRRHRJNSA-N 0 0 339.391 3.210 50 30 biogenic EGEARN C#CCOc1cccc([C@H]2CC(=O)Nc3c2ncn3-c2cccnc2)c1 ZINC000040282892 213286683 /nfs/dbraw/zinc/28/66/83/213286683.db2.gz GBHBLMDWXQZJQF-QGZVFWFLSA-N 0 0 344.374 3.403 50 30 EGEARN C=CCN1c2ccccc2N[C@@H]2[C@H]1[C@@H](C(C)=O)C(=O)N2c1ccccc1 ZINC000001424415 209744541 /nfs/dbraw/zinc/74/45/41/209744541.db2.gz DDDSBDPXUPSYNO-AQNXPRMDSA-N 0 0 347.418 3.051 50 30 EGEARN COC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1ccc(C)o1)C2=O ZINC000000544151 209657952 /nfs/dbraw/zinc/65/79/52/209657952.db2.gz JZWQLZSHQXSGGM-WIWNTQSISA-N 0 0 328.320 3.145 50 30 EGEARN Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)Nc1ccc(C#N)cc1 ZINC000000181502 209468543 /nfs/dbraw/zinc/46/85/43/209468543.db2.gz SBXBWPXZEHKMPU-UHFFFAOYSA-N 0 0 342.708 3.374 50 30 EGEARN Oc1ccc(/C=N/c2ccc(I)cc2)c(O)c1 ZINC000000064984 209397051 /nfs/dbraw/zinc/39/70/51/209397051.db2.gz IBLSHDLGWOTEMS-OVCLIPMQSA-N 0 0 339.132 3.453 50 30 EGEARN CCOc1ccccc1/C=C/C(=O)c1ccc(N2C(=O)C=CC2=O)cc1 ZINC000074941610 216538253 /nfs/dbraw/zinc/53/82/53/216538253.db2.gz PIUGXGIPINCNGI-FMIVXFBMSA-N 0 0 347.370 3.411 50 30 EGEARN CC(C[C@]1(O)c2ccccc2NC1=O)N=Nc1cccc2cccnc21 ZINC000022342673 212291806 /nfs/dbraw/zinc/29/18/06/212291806.db2.gz BCRPQKQWGRZSBN-IYHCKTHZSA-N 0 0 346.390 3.253 50 30 EGEARN N#Cc1ccc(C(=O)N2CC[C@H](Oc3ccc4ccccc4n3)C2)cc1 ZINC000225738853 242013322 /nfs/dbraw/zinc/01/33/22/242013322.db2.gz OAHMUZTYSYAYCI-SFHVURJKSA-N 0 0 343.386 3.400 50 30 EGEARN CC(=O)N(C)c1ccc(/N=C/c2cc3c(cc2[N+](=O)[O-])OCO3)cc1 ZINC000013114212 211522689 /nfs/dbraw/zinc/52/26/89/211522689.db2.gz QMHAIKJIWGKRHF-GIJQJNRQSA-N 0 0 341.323 3.057 50 30 EGEARN C=CCN1C(=O)C(=CNc2ccc(C(=O)OCC)cc2)SC1=S ZINC000011667066 211232348 /nfs/dbraw/zinc/23/23/48/211232348.db2.gz OTHOJSROEXSUJJ-JLHYYAGUSA-N 0 0 348.449 3.163 50 30 EGEARN C=CC[C@]1(CO)CCCN(C(=O)c2c[nH]nc2C2CCCCC2)C1 ZINC000091873344 218081911 /nfs/dbraw/zinc/08/19/11/218081911.db2.gz YWXJMVLOXZCMCW-IBGZPJMESA-N 0 0 331.460 3.248 50 30 EGEARN C=C(C)CSc1nnc(-c2cc(-c3ccc(Cl)cc3)n[nH]2)n1N ZINC000009329946 211069196 /nfs/dbraw/zinc/06/91/96/211069196.db2.gz IYLHSYIPDHJOJZ-UHFFFAOYSA-N 0 0 346.847 3.371 50 30 EGEARN COc1cc(C(=O)/C=C/c2ccc3c(c2)OCO3)cc(OC)c1OC ZINC000008867320 211014134 /nfs/dbraw/zinc/01/41/34/211014134.db2.gz JGVTZQYRMQWZQO-GQCTYLIASA-N 0 0 342.347 3.337 50 30 EGEARN O=C(Cc1nc2ccc([N+](=O)[O-])cc2[nH]c1=O)c1ccc(Cl)cc1 ZINC000095398226 218331002 /nfs/dbraw/zinc/33/10/02/218331002.db2.gz GDHOWAFRTVZYJV-ZSOIEALJSA-N 0 0 343.726 3.379 50 30 EGEARN CCc1ccc(NC(=O)[C@@H]2CCCN2/C=C/C(=O)C(F)(F)F)cc1 ZINC000004971904 210344785 /nfs/dbraw/zinc/34/47/85/210344785.db2.gz SHGLZTZXMMQTTB-MARXPDLDSA-N 0 0 340.345 3.297 50 30 EGEARN CCOc1cc([C@@H]2CC(=O)NC3=C2C(=O)CCC3)ccc1OC(C)C ZINC000004915068 210322211 /nfs/dbraw/zinc/32/22/11/210322211.db2.gz OUSFZFRCKRKVRP-AWEZNQCLSA-N 0 0 343.423 3.483 50 30 EGEARN C/C(=N\N=C\c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 ZINC000004776138 210275975 /nfs/dbraw/zinc/27/59/75/210275975.db2.gz DMGBKQRTGDGKQI-GDAWTGGTSA-N 0 0 325.324 3.209 50 30 EGEARN N#Cc1ccc(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1 ZINC000000074005 258047516 /nfs/dbraw/zinc/04/75/16/258047516.db2.gz HOFCXNDKALOCRF-SXGWCWSVSA-N 0 0 337.766 3.305 50 30 EGEARN COc1cc(/C=C2\Oc3c(ccc(O)c3C)C2=O)cc(OC)c1OC ZINC000012877489 258001858 /nfs/dbraw/zinc/00/18/58/258001858.db2.gz PVQQXAIZQYVNCS-AUWJEWJLSA-N 0 0 342.347 3.343 50 30 biogenic EGEARN C=C(C)CN1c2ccccc2[C@@](O)(CC(=O)c2ccc(F)cc2)C1=O ZINC000004556468 258047060 /nfs/dbraw/zinc/04/70/60/258047060.db2.gz DFKGKMIKXMIVMM-FQEVSTJZSA-N 0 0 339.366 3.209 50 30 EGEARN C=CCN(Cc1ccccn1)C(=O)CC(=O)Nc1cc(C)ccc1C ZINC000065466953 258012247 /nfs/dbraw/zinc/01/22/47/258012247.db2.gz GWXCKXKOMKRKCR-UHFFFAOYSA-N 0 0 337.423 3.242 50 30 EGEARN C=CCOc1cccc(NC(=O)N(CC)Cc2nc(CC)no2)c1 ZINC000096166055 258012468 /nfs/dbraw/zinc/01/24/68/258012468.db2.gz XDIQZLDDXKEJHB-UHFFFAOYSA-N 0 0 330.388 3.251 50 30 EGEARN C#CC(C)(C)OC(=O)CCCC(=O)Nc1nc2ccccc2s1 ZINC000002491451 258016656 /nfs/dbraw/zinc/01/66/56/258016656.db2.gz GLEMXTXVZGUROH-UHFFFAOYSA-N 0 0 330.409 3.360 50 30 EGEARN CCCN1c2ccc(NC(=O)c3ccc(C#N)cc3)cc2CCC1=O ZINC000009107203 135648994 /nfs/dbraw/zinc/64/89/94/135648994.db2.gz QOXMIVHHIAFUOQ-UHFFFAOYSA-N 0 0 333.391 3.500 50 30 EGEARN CCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccc(C)cc1C ZINC000000135337 285671764 /nfs/dbraw/zinc/67/17/64/285671764.db2.gz SIMCYGHRMFMNDZ-MRXNPFEDSA-N 0 0 341.407 3.158 50 30 EGEARN COc1ccc(N2C=C(C(C)=O)S(=O)(=O)c3ccccc32)cc1 ZINC000067340753 286325287 /nfs/dbraw/zinc/32/52/87/286325287.db2.gz FMFFHFRKYDZPGP-UHFFFAOYSA-N 0 0 329.377 3.051 50 30 EGEARN CN(C)c1ccc(-n2c(N)c(C#N)c3nc4ccccc4nc32)cc1 ZINC000000499591 276881434 /nfs/dbraw/zinc/88/14/34/276881434.db2.gz KGQPEWSCDUYKDZ-UHFFFAOYSA-N 0 0 328.379 3.094 50 30 EGEARN COC(=O)c1sc2c(c1C(=O)OC)c(Cl)nc(C#N)c2Cl ZINC000001418728 277456228 /nfs/dbraw/zinc/45/62/28/277456228.db2.gz GKVQAKIIGPAGRQ-UHFFFAOYSA-N 0 0 345.163 3.048 50 30 EGEARN Cc1c(C=NNc2ccc([N+](=O)[O-])cc2C(F)(F)F)cnn1C ZINC000006184739 280197694 /nfs/dbraw/zinc/19/76/94/280197694.db2.gz HUPARQYIWLQLQH-UBKPWBPPSA-N 0 0 327.266 3.102 50 30 EGEARN O=C(C1=C(O)C(=O)N[C@H]1c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000104126842 280297021 /nfs/dbraw/zinc/29/70/21/280297021.db2.gz UQAIUOAHCGWEKC-MRPLLJTBSA-N 0 0 331.730 3.188 50 30 EGEARN CC(C)c1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3nnnn32)cc1 ZINC000009260905 280616609 /nfs/dbraw/zinc/61/66/09/280616609.db2.gz QKVKYDYLBMCZMJ-QGZVFWFLSA-N 0 0 337.427 3.455 50 30 EGEARN COc1ccc(-c2[nH]nc3c2[C@H](c2ccccc2C#N)CC(=O)N3)cc1 ZINC000065405267 295048656 /nfs/dbraw/zinc/04/86/56/295048656.db2.gz ZFUMMTNFKBAOCL-INIZCTEOSA-N 0 0 344.374 3.431 50 30 EGEARN C[C@@](O)(C#C[C@](O)(c1ccccc1)C(F)(F)F)c1ccc(F)cc1 ZINC000002379405 297840531 /nfs/dbraw/zinc/84/05/31/297840531.db2.gz DZVAPKOQXBBGKD-SJORKVTESA-N 0 0 338.300 3.487 50 30 EGEARN CC(O)=C1C(=O)C(=O)N(c2ccc(F)cc2)[C@H]1c1ccc(F)cc1 ZINC000000035067 452493829 /nfs/dbraw/zinc/49/38/29/452493829.db2.gz DUISCRIIYHFMHZ-INIZCTEOSA-N 0 0 329.302 3.454 50 30 EGEARN CCOC(=O)[C@H](C#N)[C@]1(c2ccc(OC)cc2)CCOC(C)(C)C1 ZINC000000209742 452537508 /nfs/dbraw/zinc/53/75/08/452537508.db2.gz GHWOYMJONOHRTR-QFBILLFUSA-N 0 0 331.412 3.225 50 30 EGEARN CC(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccccc1Cl ZINC000000351059 452568534 /nfs/dbraw/zinc/56/85/34/452568534.db2.gz YZAQZFXQYKJJIZ-INIZCTEOSA-N 0 0 342.782 3.220 50 30 EGEARN CN1C(=O)C[C@@H](c2cccc([N+](=O)[O-])c2)C2=C1CC(C)(C)CC2=O ZINC000000439518 452592250 /nfs/dbraw/zinc/59/22/50/452592250.db2.gz HIHOQKIDZXKGGT-ZDUSSCGKSA-N 0 0 328.368 3.184 50 30 EGEARN N#Cc1cccc(NC(=O)c2ccc(I)cc2)c1 ZINC000000443521 452593154 /nfs/dbraw/zinc/59/31/54/452593154.db2.gz VYBQEDGMQZNWIL-UHFFFAOYSA-N 0 0 348.143 3.415 50 30 EGEARN CCc1ccc(N=C2NC(=O)C[C@@H](C(=O)Nc3ccccc3)N2)cc1 ZINC000000528212 452614420 /nfs/dbraw/zinc/61/44/20/452614420.db2.gz ZSCQPJRVOGHKQX-INIZCTEOSA-N 0 0 336.395 3.194 50 30 EGEARN COc1ccc(-c2nc(C#N)c(NCc3cccnc3)o2)cc1OC ZINC000000538749 452618567 /nfs/dbraw/zinc/61/85/67/452618567.db2.gz PFINZLDAEJAZAZ-UHFFFAOYSA-N 0 0 336.351 3.238 50 30 EGEARN C/N=C1/S/C(=C\c2cccn2-c2ccc(N(C)C)cc2)C(=O)N1C ZINC000001053774 452643010 /nfs/dbraw/zinc/64/30/10/452643010.db2.gz YWPMJNTXXLSVGH-MPOVVXLQSA-N 0 0 340.452 3.075 50 30 EGEARN CC(C)OC(=O)CC(=O)CSc1nc2c(cc1C#N)CCCCC2 ZINC000002338117 452693616 /nfs/dbraw/zinc/69/36/16/452693616.db2.gz KCAHKDBPSZBWQD-UHFFFAOYSA-N 0 0 346.452 3.225 50 30 EGEARN Cc1ccc(S(=O)(=O)N/N=C/C2=Cc3ccccc3O[C@@H]2C)cc1 ZINC000002398986 452695059 /nfs/dbraw/zinc/69/50/59/452695059.db2.gz RRZYNYDKSPBTTK-ONDHQXCVSA-N 0 0 342.420 3.124 50 30 EGEARN C=CCOC(=O)COc1cc2oc(=O)c3c(c2cc1Cl)CCCC3 ZINC000002479783 452700210 /nfs/dbraw/zinc/70/02/10/452700210.db2.gz KKJHULFASWTMFL-UHFFFAOYSA-N 0 0 348.782 3.433 50 30 EGEARN C=CCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@H]1c1ccccc1 ZINC000002480759 452700415 /nfs/dbraw/zinc/70/04/15/452700415.db2.gz PKJBKUQPSJNQML-INIZCTEOSA-N 0 0 342.420 3.066 50 30 EGEARN C=CCN(CC=C)C(=O)c1ccccc1I ZINC000002807135 452728330 /nfs/dbraw/zinc/72/83/30/452728330.db2.gz BTSPVIYAWZNHEZ-UHFFFAOYSA-N 0 0 327.165 3.105 50 30 EGEARN N#Cc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1 ZINC000003364599 452763434 /nfs/dbraw/zinc/76/34/34/452763434.db2.gz QOAQPPYGIPRFBX-UHFFFAOYSA-N 0 0 325.799 3.174 50 30 EGEARN COc1ccc(Cl)cc1NC(=O)COC(=O)c1ccc(C#N)cc1 ZINC000003474624 452769134 /nfs/dbraw/zinc/76/91/34/452769134.db2.gz DOKNKQFOWFJPHJ-UHFFFAOYSA-N 0 0 344.754 3.016 50 30 EGEARN CCOc1c(OC)cccc1[C@H]1CC(=O)NC2=C1C(=O)CC(C)(C)C2 ZINC000004488908 452805167 /nfs/dbraw/zinc/80/51/67/452805167.db2.gz QUKCNDHDBPUENQ-CYBMUJFWSA-N 0 0 343.423 3.341 50 30 EGEARN C=CCn1c(C)nnc1SCC(=O)Nc1ccc(Cl)cc1F ZINC000004936585 452826375 /nfs/dbraw/zinc/82/63/75/452826375.db2.gz ALKBXUMLZZPFKG-UHFFFAOYSA-N 0 0 340.811 3.296 50 30 EGEARN CCCC[C@@H](CC)C[NH2+][C@@H](CC(=O)Nc1ccccc1C#N)C(=O)[O-] ZINC000005258644 452851690 /nfs/dbraw/zinc/85/16/90/452851690.db2.gz RSEBVPJDKDUCLR-PBHICJAKSA-N 0 0 345.443 3.146 50 30 EGEARN N#Cc1ccccc1NC(=O)c1cccn(Cc2ccc(F)cc2)c1=O ZINC000005268962 452853531 /nfs/dbraw/zinc/85/35/31/452853531.db2.gz WVOVNNISIILGFM-UHFFFAOYSA-N 0 0 347.349 3.160 50 30 EGEARN CCOc1cc(/C=N/NC(=S)Nc2ccc(F)cc2)ccc1O ZINC000005576256 452886238 /nfs/dbraw/zinc/88/62/38/452886238.db2.gz TXENADAVLFYPIM-VCHYOVAHSA-N 0 0 333.388 3.251 50 30 EGEARN CC(=O)C(=CNc1ccccc1F)S(=O)(=O)c1ccc(C)cc1 ZINC000006088175 452920123 /nfs/dbraw/zinc/92/01/23/452920123.db2.gz VUQIQQLUWGNDLN-GZTJUZNOSA-N 0 0 333.384 3.450 50 30 EGEARN Cc1cc(C)c(C#N)c(N2CCN(C/C=C/c3ccccc3)CC2)n1 ZINC000006759647 452983865 /nfs/dbraw/zinc/98/38/65/452983865.db2.gz JAZFOWWNQMCNEW-RMKNXTFCSA-N 0 0 332.451 3.406 50 30 EGEARN COc1ccc(/C=C/C(=O)c2ccc3c(c2)OCO3)c(OC)c1OC ZINC000007743640 453111352 /nfs/dbraw/zinc/11/13/52/453111352.db2.gz FSIMGKYEOKOUSI-QPJJXVBHSA-N 0 0 342.347 3.337 50 30 EGEARN CC1(C)CC(=O)C2C(=Nc3nonc3N[C@@H]2c2ccccc2F)C1 ZINC000012321691 453355008 /nfs/dbraw/zinc/35/50/08/453355008.db2.gz JSZSCIVRPWALJT-CQSZACIVSA-N 0 0 328.347 3.431 50 30 EGEARN C=CCNC(=O)Cc1c(C)n(Cc2ccccc2)c2c1C(=O)CCC2 ZINC000012588094 453379221 /nfs/dbraw/zinc/37/92/21/453379221.db2.gz HKZKPCAPARKFSI-UHFFFAOYSA-N 0 0 336.435 3.209 50 30 EGEARN COc1ccc(/C=C2\Oc3cc(OC(C)=O)ccc3C2=O)c(OC)c1 ZINC000012860487 453415962 /nfs/dbraw/zinc/41/59/62/453415962.db2.gz OZCOGOPKYUDWJD-LSCVHKIXSA-N 0 0 340.331 3.245 50 30 biogenic EGEARN COc1c(O)c(OC)c(C(=O)/C=C/c2ccccc2)c(O)c1OC ZINC000014640460 453540358 /nfs/dbraw/zinc/54/03/58/453540358.db2.gz PPRMAMORBLMPSR-MDZDMXLPSA-N 0 0 330.336 3.020 50 30 biogenic EGEARN CN(C)/C=N/C(=O)c1cccn1-c1ncc(C(F)(F)F)cc1Cl ZINC000018081840 453642721 /nfs/dbraw/zinc/64/27/21/453642721.db2.gz XOMXENCVTSTXAD-DNTJNYDQSA-N 0 0 344.724 3.275 50 30 EGEARN CC(=O)C1=C(O)C(=O)N(CCc2ccccc2)[C@H]1c1ccccc1F ZINC000019087994 453653233 /nfs/dbraw/zinc/65/32/33/453653233.db2.gz YIGVGXGXMZWJJL-SFHVURJKSA-N 0 0 339.366 3.353 50 30 EGEARN COc1ccccc1-c1nc(NC(=O)COC2CCCCC2)n[nH]1 ZINC000052779202 453844165 /nfs/dbraw/zinc/84/41/65/453844165.db2.gz OEDHEPGZAQPNRW-UHFFFAOYSA-N 0 0 330.388 3.418 50 30 EGEARN COc1cc(C)c(CN2CCN(c3ccccc3C#N)C(=O)C2)cc1C ZINC000082087524 453923190 /nfs/dbraw/zinc/92/31/90/453923190.db2.gz YQIIHAABGRORHG-UHFFFAOYSA-N 0 0 349.434 3.033 50 30 EGEARN C=CCn1ncc(C[N@@H+]2CCC[C@H](c3cccc(C(=O)[O-])c3)C2)c1C ZINC000095353415 454196277 /nfs/dbraw/zinc/19/62/77/454196277.db2.gz IIQXSYHPZHZVHK-SFHVURJKSA-N 0 0 339.439 3.455 50 30 EGEARN C=CCn1cc(C[N@@H+]2CCC[C@@H](c3ccc(C(=O)[O-])cc3)C2)c(C)n1 ZINC000095381273 454199777 /nfs/dbraw/zinc/19/97/77/454199777.db2.gz NEJHDYVDECEXEN-GOSISDBHSA-N 0 0 339.439 3.455 50 30 EGEARN C=CCOc1ccccc1-c1cc(-c2cn(C)nc2C)nc(N)c1C#N ZINC000071416027 454206005 /nfs/dbraw/zinc/20/60/05/454206005.db2.gz FLINWMCGVDFURU-UHFFFAOYSA-N 0 0 345.406 3.476 50 30 EGEARN CCn1nc(C)c(-c2cc(-c3c(C)nn(C)c3C)c(C#N)c(N)n2)c1C ZINC000071748946 454212868 /nfs/dbraw/zinc/21/28/68/454212868.db2.gz FMOUJXQICWDJGO-UHFFFAOYSA-N 0 0 349.442 3.053 50 30 EGEARN C=CCSc1nc2c(c(=O)[nH]1)[C@@H](c1cc(C)ccc1C)CC(=O)N2 ZINC000096350515 454319031 /nfs/dbraw/zinc/31/90/31/454319031.db2.gz OWQHPHYLRFXLKD-CYBMUJFWSA-N 0 0 341.436 3.139 50 30 EGEARN N#Cc1ccc(OC2CCN(C(=O)c3cc4ccccc4o3)CC2)nc1 ZINC000090607633 454327732 /nfs/dbraw/zinc/32/77/32/454327732.db2.gz PFJDNQRAMVGZFB-UHFFFAOYSA-N 0 0 347.374 3.383 50 30 EGEARN N#Cc1cccc(N2CC[C@@H](c3ccc4ccccc4c3)[C@H](O)C2)n1 ZINC000065509384 454580467 /nfs/dbraw/zinc/58/04/67/454580467.db2.gz QPGMVRNEWHJUQX-VQTJNVASSA-N 0 0 329.403 3.461 50 30 EGEARN COc1ccc([C@@H](C#N)C(=O)c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000066088525 454656808 /nfs/dbraw/zinc/65/68/08/454656808.db2.gz ITXWNGCYHJQWFP-OAHLLOKOSA-N 0 0 341.363 3.211 50 30 EGEARN C=C[C@H]1C[N@+]2([O-])CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc21 ZINC000256009895 455878295 /nfs/dbraw/zinc/87/82/95/455878295.db2.gz WVDIZKMXQMCCAA-ROCUERRRSA-N 0 0 340.423 3.186 50 30 EGEARN Cc1cnn(C)c1/C=C/C(=O)c1nc(Br)sc1C ZINC000585136118 459828132 /nfs/dbraw/zinc/82/81/32/459828132.db2.gz RAOIRGBWVNRNGO-SNAWJCMRSA-N 0 0 326.219 3.152 50 30 EGEARN N#Cc1ccnc(O[C@H]2CCCN(C(=O)Nc3ccc(F)cc3)C2)c1 ZINC000575613476 459983793 /nfs/dbraw/zinc/98/37/93/459983793.db2.gz RCNTWNWOQCWLSP-INIZCTEOSA-N 0 0 340.358 3.168 50 30 EGEARN COc1ccc(C(=N)NOC(=O)c2ccc(C)c(Cl)c2)cc1OC ZINC000004802736 523372121 /nfs/dbraw/zinc/37/21/21/523372121.db2.gz XNFMYAVEKZLUNG-UHFFFAOYSA-N 0 0 348.786 3.143 50 30 EGEARN COc1ccc(C(=O)N2CCCC[C@@H]2[C@@H](C#N)c2ccccc2)cn1 ZINC000072297928 546570690 /nfs/dbraw/zinc/57/06/90/546570690.db2.gz XWRZJENCIOTAHZ-ZWKOTPCHSA-N 0 0 335.407 3.392 50 30 EGEARN C=CCCC(=O)N1CC[C@@]2(C1)CCCN(Cc1cccc(C)c1)C2=O ZINC000012594439 1291132914 /nfs/dbraw/zinc/13/29/14/1291132914.db2.gz FWLJPKYTTRVLBE-OAQYLSRUSA-N 0 0 340.467 3.302 50 30 EGEARN C=C(C)COc1ccccc1NC(=O)[C@@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000952961613 1334625834 /nfs/dbraw/zinc/62/58/34/1334625834.db2.gz GKYAAIAWSOZULK-OWCLPIDISA-N 0 0 332.444 3.078 50 30 EGEARN COC[C@@H](C)N(Cc1cccc(F)c1)C(=O)c1ccc(C#N)cc1 ZINC000952986792 1334630852 /nfs/dbraw/zinc/63/08/52/1334630852.db2.gz FRLXLHLUEKIASL-CQSZACIVSA-N 0 0 326.371 3.375 50 30 EGEARN N#Cc1ccc(NC(=O)[C@H](Sc2cn[nH]n2)c2ccccc2)cc1 ZINC001772491205 1441415924 /nfs/dbraw/zinc/41/59/24/1441415924.db2.gz MNFVKNOIIODOPA-MRXNPFEDSA-N 0 0 335.392 3.148 50 30 EGEARN C=C1C(=O)O[C@@H]2C=C(C)CCC=C(C)C[C@@H](OC(=O)/C(=C\C)CO)[C@@H]12 ZINC001772820343 1441417801 /nfs/dbraw/zinc/41/78/01/1441417801.db2.gz LQAWDKQOLJURMN-CMERNDRVSA-N 0 0 346.423 3.011 50 30 EGEARN C=C(C)COc1ccccc1C(=O)N[C@H](CC(C)C)c1ncnn1C ZINC000055254686 214296244 /nfs/dbraw/zinc/29/62/44/214296244.db2.gz SRFNDNGSRBHXHL-MRXNPFEDSA-N 0 0 342.443 3.287 50 30 EGEARN O=CN(/C=C1\Sc2ccccc2C1=O)c1ccccc1[N+](=O)[O-] ZINC000004691092 210248886 /nfs/dbraw/zinc/24/88/86/210248886.db2.gz ZSUPOWBYLZVJHT-DHDCSXOGSA-N 0 0 326.333 3.388 50 30 EGEARN CC/N=C1\S[C@H](C(=O)Nc2cccc(Cl)c2)CC(=O)N1CC ZINC000100203568 219094201 /nfs/dbraw/zinc/09/42/01/219094201.db2.gz XGQLTKNFSZOXLH-JTFSYWPOSA-N 0 0 339.848 3.008 50 30 EGEARN C=CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccccc1F ZINC000101231824 219119914 /nfs/dbraw/zinc/11/99/14/219119914.db2.gz IEBHQESVSWPCLS-HVESIFNPSA-N 0 0 337.350 3.433 50 30 EGEARN Cc1ccc(NC2=C(N3CCOCC3)C(=O)c3ccccc3C2=O)cc1 ZINC000004063181 210112079 /nfs/dbraw/zinc/11/20/79/210112079.db2.gz UBKOWVOSSLUPDI-UHFFFAOYSA-N 0 0 348.402 3.030 50 30 EGEARN O=c1[nH]c2ccc(/N=C/c3cc(Br)ccc3O)cc2[nH]1 ZINC000003233546 209983554 /nfs/dbraw/zinc/98/35/54/209983554.db2.gz ZVAZYZFTSFSLNW-FRKPEAEDSA-N 0 0 332.157 3.075 50 30 EGEARN CC(C)(C)OC(=O)N1CCC(NC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000067801120 215215460 /nfs/dbraw/zinc/21/54/60/215215460.db2.gz RYHSILWQLMBFND-UHFFFAOYSA-N 0 0 344.415 3.079 50 30 EGEARN N#CC1(C(=O)N2CCc3[nH]nc(-c4cccc5ccccc54)c3C2)CC1 ZINC000067833637 215224108 /nfs/dbraw/zinc/22/41/08/215224108.db2.gz RRZMTDGSQIGOQQ-UHFFFAOYSA-N 0 0 342.402 3.418 50 30 EGEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1nc(C)cs1 ZINC000004542653 290922069 /nfs/dbraw/zinc/92/20/69/290922069.db2.gz SHPYMCDBMFKDCH-HNNXBMFYSA-N 0 0 346.452 3.229 50 30 EGEARN Cc1cc(CNC(=O)COc2ccc(C#N)cc2)c2ccccc2n1 ZINC000001426586 209746448 /nfs/dbraw/zinc/74/64/48/209746448.db2.gz MHKSZLKKCDPIAH-UHFFFAOYSA-N 0 0 331.375 3.110 50 30 EGEARN N#Cc1ccc([C@@H](O)COc2ncnc3cc(Cl)ccc32)cc1 ZINC000000154262 209456451 /nfs/dbraw/zinc/45/64/51/209456451.db2.gz URDPIQKTCYNWMW-INIZCTEOSA-N 0 0 325.755 3.267 50 30 EGEARN N#Cc1ccccc1C(=O)N[C@H](c1ccc(F)cc1F)[C@H]1C[C@@H](O)C1 ZINC000243892980 243028814 /nfs/dbraw/zinc/02/88/14/243028814.db2.gz ANAOCIVPOMRMOM-WRSAYESZSA-N 0 0 342.345 3.078 50 30 EGEARN COc1cccc(/C=C2\Oc3c(c(C)cc([O-])c3C[NH+](C)C)C2=O)c1 ZINC000020591674 212149629 /nfs/dbraw/zinc/14/96/29/212149629.db2.gz PSGSGLGAGBSKLL-YVLHZVERSA-N 0 0 339.391 3.387 50 30 EGEARN N#Cc1ccc(-c2cccs2)nc1SCCN1CCOCC1 ZINC000020406640 212125677 /nfs/dbraw/zinc/12/56/77/212125677.db2.gz VNEISUIOFJHKJN-UHFFFAOYSA-N 0 0 331.466 3.106 50 30 EGEARN N#Cc1ccc(C(=O)N2CCC[C@@H](COc3ccc(F)cc3)C2)cn1 ZINC000077299155 216867168 /nfs/dbraw/zinc/86/71/68/216867168.db2.gz XPRVYRUTMHTFIB-CQSZACIVSA-N 0 0 339.370 3.024 50 30 EGEARN C=CCn1c(SCc2ccc(F)cc2)nc2onc(C)c2c1=N ZINC000019897664 212080834 /nfs/dbraw/zinc/08/08/34/212080834.db2.gz CNFBRLZYTHEJGB-UHFFFAOYSA-N 0 0 330.388 3.430 50 30 EGEARN C=CCn1c2ccccc2n(C[C@@H](O)c2ccc(Cl)cc2)c1=N ZINC000019854808 212076671 /nfs/dbraw/zinc/07/66/71/212076671.db2.gz XYQHBZYXGYAYDS-QGZVFWFLSA-N 0 0 327.815 3.495 50 30 EGEARN N#Cc1cc2c(nc1N1CCC[C@H](OCc3ccccn3)C1)CCCC2 ZINC000077504727 216921516 /nfs/dbraw/zinc/92/15/16/216921516.db2.gz SIAVXLRNCLPWPJ-IBGZPJMESA-N 0 0 348.450 3.413 50 30 EGEARN C/C(=N/N1CCN(Cc2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000019771557 212063357 /nfs/dbraw/zinc/06/33/57/212063357.db2.gz XFNIWBVNLOBNQR-SILNSSARSA-N 0 0 338.411 3.137 50 30 EGEARN C=CCCC(=O)N1CC[C@@]2(C1)CCCN(CC1CCCCC1)C2=O ZINC000012455970 211387618 /nfs/dbraw/zinc/38/76/18/211387618.db2.gz HIWPUOAZYVBXQD-HXUWFJFHSA-N 0 0 332.488 3.374 50 30 EGEARN C=CCN(CC=C)C(=O)C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000012343628 211353241 /nfs/dbraw/zinc/35/32/41/211353241.db2.gz OULOPXBRNTUTGS-UHFFFAOYSA-N 0 0 346.858 3.393 50 30 EGEARN CCCN1CCC[C@]2(CCN(c3nc(C(C)C)ccc3C#N)C2)C1=O ZINC000091745587 218056899 /nfs/dbraw/zinc/05/68/99/218056899.db2.gz VHBSXQNCEBRVGY-HXUWFJFHSA-N 0 0 340.471 3.306 50 30 EGEARN CCCN1CCC[C@@]2(CCN(c3nc(C(C)C)ccc3C#N)C2)C1=O ZINC000091745588 218057384 /nfs/dbraw/zinc/05/73/84/218057384.db2.gz VHBSXQNCEBRVGY-FQEVSTJZSA-N 0 0 340.471 3.306 50 30 EGEARN COc1cc(C)c(NC(=O)COc2ccc(C#N)cc2OC)cc1C ZINC000004829072 210290720 /nfs/dbraw/zinc/29/07/20/210290720.db2.gz PRHWWGXZRBRPHH-UHFFFAOYSA-N 0 0 340.379 3.210 50 30 EGEARN C=CCN(C(=O)COC(=O)c1cccc(OC)c1)c1ccccc1 ZINC000051356680 258015445 /nfs/dbraw/zinc/01/54/45/258015445.db2.gz YXIXEIGPAOTKEN-UHFFFAOYSA-N 0 0 325.364 3.071 50 30 EGEARN C=CCn1nnc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)n1 ZINC000010148853 258017795 /nfs/dbraw/zinc/01/77/95/258017795.db2.gz GMMLHIGPVATDEE-UHFFFAOYSA-N 0 0 329.747 3.025 50 30 EGEARN CCc1cc(C#N)ccc1NC(=O)NCc1cncn1CC(C)C ZINC000299788432 258094883 /nfs/dbraw/zinc/09/48/83/258094883.db2.gz RZOWWHJPKGXENB-UHFFFAOYSA-N 0 0 325.416 3.295 50 30 EGEARN Cc1cc(C)c(C(=O)c2sc3nc(N)c(C#N)cc3c2N)cc1C ZINC000021601429 258057325 /nfs/dbraw/zinc/05/73/25/258057325.db2.gz ZLQPFRFJGSOELD-UHFFFAOYSA-N 0 0 336.420 3.489 50 30 EGEARN O=C1c2ccccc2C(=O)N1/N=C/c1ccc(N2CCCCC2)cc1 ZINC000000559010 135652794 /nfs/dbraw/zinc/65/27/94/135652794.db2.gz SZPPUMSYBKHTAM-KGENOOAVSA-N 0 0 333.391 3.307 50 30 EGEARN CCSc1nc2n(n1)[C@@H](c1ccc(O)cc1)C1C(=O)CCCC1=N2 ZINC000006677828 286723694 /nfs/dbraw/zinc/72/36/94/286723694.db2.gz UQTSNYYCGBHOBP-HNNXBMFYSA-N 0 0 342.424 3.118 50 30 EGEARN Cc1c(NC(=O)Nc2ccc(C#N)cc2)c(=O)n(-c2ccccc2)n1C ZINC000002862232 264007258 /nfs/dbraw/zinc/00/72/58/264007258.db2.gz MBXFSGLROPUBQC-UHFFFAOYSA-N 0 0 347.378 3.000 50 30 EGEARN N#Cc1c(N)nc(-c2ccc3ccccc3c2)cc1-c1cnc(N)nc1 ZINC000067982104 274917990 /nfs/dbraw/zinc/91/79/90/274917990.db2.gz FAWJDVLOQJOUOD-UHFFFAOYSA-N 0 0 338.374 3.395 50 30 EGEARN COc1ccccc1/C=C1\Oc2c(c(C)cc([O-])c2C[NH+](C)C)C1=O ZINC000020589200 278045464 /nfs/dbraw/zinc/04/54/64/278045464.db2.gz YOJKHGBKWPSRCQ-YVLHZVERSA-N 0 0 339.391 3.387 50 30 EGEARN CC1(C)CC(=O)C2=C(C1)Nc1cc3c(cc1[C@@H]2c1ncc[nH]1)OCO3 ZINC000018197399 280891820 /nfs/dbraw/zinc/89/18/20/280891820.db2.gz QLHLERFSRHHDHH-INIZCTEOSA-N 0 0 337.379 3.339 50 30 EGEARN CC1(C)Cc2c(C#N)c(N3CCOCC3)nc(-c3ccccc3)c2CO1 ZINC000019204561 281369310 /nfs/dbraw/zinc/36/93/10/281369310.db2.gz NDSKJDZBHQLUIC-UHFFFAOYSA-N 0 0 349.434 3.308 50 30 EGEARN O=C1C[C@H](c2ccccc2)CC2=Nc3ncnn3[C@H](c3ccco3)C12 ZINC000008968906 304650046 /nfs/dbraw/zinc/65/00/46/304650046.db2.gz IGBCCXRSSNBCGZ-FZKQIMNGSA-N 0 0 332.363 3.287 50 30 EGEARN CC(=O)Nc1ccc2nc(NC(=O)c3ccc(C#N)cc3)sc2c1 ZINC000000191251 452531484 /nfs/dbraw/zinc/53/14/84/452531484.db2.gz HALFQVJCWAMYFS-UHFFFAOYSA-N 0 0 336.376 3.379 50 30 EGEARN CC(C)OC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccccc1F ZINC000000377711 452574826 /nfs/dbraw/zinc/57/48/26/452574826.db2.gz DWMJSBVOVPMWER-HNNXBMFYSA-N 0 0 345.370 3.069 50 30 EGEARN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1c[nH]cn1 ZINC000000390477 452579078 /nfs/dbraw/zinc/57/90/78/452579078.db2.gz WYEVEHRXTPNOFA-UHFFFAOYSA-N 0 0 339.439 3.383 50 30 EGEARN N#Cc1ccc(NC(=O)c2cc3c(nc4ccccn4c3=O)s2)cc1 ZINC000000426889 452589437 /nfs/dbraw/zinc/58/94/37/452589437.db2.gz NDMISFFZAZNWMP-UHFFFAOYSA-N 0 0 346.371 3.033 50 30 EGEARN Cc1cc(C)n(-c2nnc(C)n2/N=C/c2cc(Cl)ccc2F)n1 ZINC000000429958 452590230 /nfs/dbraw/zinc/59/02/30/452590230.db2.gz FIHVAHHMJZWLAS-QGMBQPNBSA-N 0 0 332.770 3.064 50 30 EGEARN Cc1cc(C(F)(F)F)nc(SCC(=O)NC(C)(C)C)c1C#N ZINC000000501112 452608354 /nfs/dbraw/zinc/60/83/54/452608354.db2.gz PLFFZIQBEOPKJZ-UHFFFAOYSA-N 0 0 331.363 3.287 50 30 EGEARN Cc1c(/C=C/C(=O)Nc2sc3c(c2C#N)CCCC3)cnn1C ZINC000001019070 452640867 /nfs/dbraw/zinc/64/08/67/452640867.db2.gz FETPZSUTKDDAGC-BQYQJAHWSA-N 0 0 326.425 3.192 50 30 EGEARN N#Cc1cccc(C(=O)c2ccc(I)cc2)c1 ZINC000002392634 452695662 /nfs/dbraw/zinc/69/56/62/452695662.db2.gz FQUSAVVYLNHLHZ-UHFFFAOYSA-N 0 0 333.128 3.394 50 30 EGEARN CCCNC(=NS(=O)(=O)c1ccc(OCC)cc1)c1ccccc1 ZINC000002709165 452715752 /nfs/dbraw/zinc/71/57/52/452715752.db2.gz YUXDEAGRYSUMGE-UHFFFAOYSA-N 0 0 346.452 3.220 50 30 EGEARN C#CCn1c2c(cccc2OC)s/c1=N\C(=O)c1cccs1 ZINC000002715505 452716479 /nfs/dbraw/zinc/71/64/79/452716479.db2.gz DAMRJQZZDSXAHP-MSUUIHNZSA-N 0 0 328.418 3.147 50 30 EGEARN C=CCN(CC=C)S(=O)(=O)c1ccc(NC(=O)C(C)(C)C)cc1 ZINC000002887111 452734250 /nfs/dbraw/zinc/73/42/50/452734250.db2.gz GDERJKYMNDTYKO-UHFFFAOYSA-N 0 0 336.457 3.034 50 30 EGEARN O=[N+]([O-])c1cccc(Cl)c1/C=N/NC(=S)NCc1ccccc1 ZINC000003148520 452746329 /nfs/dbraw/zinc/74/63/29/452746329.db2.gz HUWGEYOZXGWERU-VCHYOVAHSA-N 0 0 348.815 3.246 50 30 EGEARN N=C(NOC(=O)CC(c1ccccc1)c1ccccc1)c1ccncc1 ZINC000004570766 452808987 /nfs/dbraw/zinc/80/89/87/452808987.db2.gz OXXUALQFUUIEAW-UHFFFAOYSA-N 0 0 345.402 3.467 50 30 EGEARN Cc1ccc2nc(C3C(O)=CN([C@H](C)c4ccccc4)C3=N)[nH]c2c1 ZINC000005182874 452843067 /nfs/dbraw/zinc/84/30/67/452843067.db2.gz UJMANQWFJVPDLK-CYBMUJFWSA-N 0 0 332.407 3.145 50 30 EGEARN O=C(C=C1NCCc2cc3c(cc21)OCO3)c1cccc(Cl)c1 ZINC000005428000 452871944 /nfs/dbraw/zinc/87/19/44/452871944.db2.gz MEXOUKVHMNQUQK-DHDCSXOGSA-N 0 0 327.767 3.438 50 30 EGEARN COc1cc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc2c1OCO2 ZINC000007745555 453111118 /nfs/dbraw/zinc/11/11/18/453111118.db2.gz IVQHJVPBXTXCBJ-DUXPYHPUSA-N 0 0 340.331 3.091 50 30 EGEARN COCCCNc1oc(/C=C/c2ccc(OC)c(OC)c2)nc1C#N ZINC000008378592 453199193 /nfs/dbraw/zinc/19/91/93/453199193.db2.gz QTNAGPMXVXFRMH-SOFGYWHQSA-N 0 0 343.383 3.182 50 30 EGEARN CCCC(CCC)C(=O)Nc1c(C#N)cnn1-c1nc(C)cc(C)n1 ZINC000008570274 453215394 /nfs/dbraw/zinc/21/53/94/453215394.db2.gz YPOOGJFRPOJXFL-UHFFFAOYSA-N 0 0 340.431 3.306 50 30 EGEARN C[C@@H](C(=O)ONC(=N)c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000008576404 453217028 /nfs/dbraw/zinc/21/70/28/453217028.db2.gz CDXHIHQEZNUDKL-SNVBAGLBSA-N 0 0 347.758 3.215 50 30 EGEARN C=CCN(CC=C)Cc1c(C)[nH]c2c(OC)cc(OC)cc2c1=O ZINC000008717250 453226957 /nfs/dbraw/zinc/22/69/57/453226957.db2.gz UUUMPRLLAAVINK-UHFFFAOYSA-N 0 0 328.412 3.440 50 30 EGEARN CC(=O)C1=C(C)Oc2nc(C)[nH]c(=O)c2[C@H]1c1ccccc1Cl ZINC000015082928 453555857 /nfs/dbraw/zinc/55/58/57/453555857.db2.gz NKTCMUNZKWUXGS-AWEZNQCLSA-N 0 0 330.771 3.119 50 30 EGEARN CC(=O)Nc1ccc(NC=C2C(C)=NN(c3ccccc3)C2=O)cc1 ZINC000018176478 453645952 /nfs/dbraw/zinc/64/59/52/453645952.db2.gz VDTLKQBTGGNDMW-BAOGCXAUSA-N 0 0 334.379 3.386 50 30 EGEARN COc1ccc([C@H]2CC(=O)OC3=C2C(=O)c2ccccc2C3=O)cc1 ZINC000020763682 453668984 /nfs/dbraw/zinc/66/89/84/453668984.db2.gz REMSPDLOLHDHGA-OAHLLOKOSA-N 0 0 334.327 3.059 50 30 biogenic EGEARN C=CCc1nnc2c(CS(=O)(=O)c3cccc(Cl)c3)cccn12 ZINC000032611965 453880095 /nfs/dbraw/zinc/88/00/95/453880095.db2.gz YKULGOIDFHDGTC-UHFFFAOYSA-N 0 0 347.827 3.085 50 30 EGEARN N#CC1CCN(C(=O)c2ccc3nc(-c4ccccc4)cn3c2)CC1 ZINC000082087177 453923328 /nfs/dbraw/zinc/92/33/28/453923328.db2.gz GBHIWHAMODGQMN-UHFFFAOYSA-N 0 0 330.391 3.377 50 30 EGEARN CSc1ccc([C@@H]2C3C(=O)CCCC3=Nc3c(C#N)cnn32)cc1 ZINC000044918469 454127203 /nfs/dbraw/zinc/12/72/03/454127203.db2.gz BUFGNJUJIAUHRX-QGZVFWFLSA-N 0 0 336.420 3.499 50 30 EGEARN COc1ccc(C(=O)[C@@H]2CCCN(c3cc(C#N)ccn3)C2)cc1F ZINC000071764109 454216332 /nfs/dbraw/zinc/21/63/32/454216332.db2.gz GTTRAGHHPYJBNF-OAHLLOKOSA-N 0 0 339.370 3.200 50 30 EGEARN COCc1cc(-c2cc(-c3ccc[nH]3)nc(N)c2C#N)ccc1OC ZINC000071764983 454216400 /nfs/dbraw/zinc/21/64/00/454216400.db2.gz CDLVRJMBYXDXPL-UHFFFAOYSA-N 0 0 334.379 3.353 50 30 EGEARN NC1=C(c2nc(-c3ccccc3)cs2)C(=O)CN1C1CCCC1 ZINC000096551388 454373321 /nfs/dbraw/zinc/37/33/21/454373321.db2.gz OPNCZUOFOZOAEU-UHFFFAOYSA-N 0 0 325.437 3.265 50 30 EGEARN Cc1ccccc1CNC(=O)CN1CCC(C#N)(c2ccccc2)CC1 ZINC000244899737 455278355 /nfs/dbraw/zinc/27/83/55/455278355.db2.gz ZPCVPRINURDESS-UHFFFAOYSA-N 0 0 347.462 3.169 50 30 EGEARN C[C@H]1C[C@H]2[C@@H]3CC[C@](C)(O)[C@]3(C)C[C@@H](O)[C@@H]2[C@@]2(C)CCC(=O)C=C12 ZINC000257357100 455898055 /nfs/dbraw/zinc/89/80/55/455898055.db2.gz LZRQDFQQYIQZLG-VZYQLYSXSA-N 0 0 332.484 3.486 50 30 EGEARN C[C@H](CS(C)(=O)=O)n1ccc2c1ccc(C#N)c2C(F)(F)F ZINC000208146348 456019240 /nfs/dbraw/zinc/01/92/40/456019240.db2.gz SKDVMPZQJMZEAC-SECBINFHSA-N 0 0 330.331 3.137 50 30 in-vitro EGEARN Cc1cc(C)c(C#N)c(-c2ccc(C(=O)NCC3(C)COC3)cc2)n1 ZINC000426701380 457880223 /nfs/dbraw/zinc/88/02/23/457880223.db2.gz HUQGZJJUOCYLPC-UHFFFAOYSA-N 0 0 335.407 3.003 50 30 EGEARN C=C(C)COc1ccccc1[C@@H]1CC(=O)Oc2cc(C)n(C)c(=O)c21 ZINC000524734108 459384487 /nfs/dbraw/zinc/38/44/87/459384487.db2.gz XNKKHUGREGWVQW-HNNXBMFYSA-N 0 0 339.391 3.090 50 30 EGEARN C#CCn1c2c(cccc2OCC)s/c1=N\C(=O)c1ccco1 ZINC000100910075 518341981 /nfs/dbraw/zinc/34/19/81/518341981.db2.gz CFCLISAYXAFOBE-ZCXUNETKSA-N 0 0 326.377 3.069 50 30 EGEARN C=CCN(Cc1ccccc1OC)C(=O)CCn1ccnc1CC ZINC000055415111 518786289 /nfs/dbraw/zinc/78/62/89/518786289.db2.gz AHAXDAFYBNAAAD-UHFFFAOYSA-N 0 0 327.428 3.059 50 30 EGEARN C=CCN1CCN(C(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)CC1 ZINC000020311755 518863538 /nfs/dbraw/zinc/86/35/38/518863538.db2.gz WSLNMVTVDIPPNG-LBPRGKRZSA-N 0 0 343.254 3.091 50 30 EGEARN C=CCOc1ccc(C(=O)N2CCN(c3ccccc3F)CC2)cc1 ZINC000004842599 519026760 /nfs/dbraw/zinc/02/67/60/519026760.db2.gz PPOLESINFJASIC-UHFFFAOYSA-N 0 0 340.398 3.353 50 30 EGEARN COc1ccc(C2N=NC(=S)N2N=Cc2ccc(C)s2)cc1 ZINC000252429320 523258141 /nfs/dbraw/zinc/25/81/41/523258141.db2.gz CATSYAPQYAXXMN-UHFFFAOYSA-N 0 0 330.438 3.495 50 30 EGEARN COc1ccc(C=Nc2nc[nH]n2)cc1CSc1ccccn1 ZINC000000503500 523454368 /nfs/dbraw/zinc/45/43/68/523454368.db2.gz HYKDMBILUGVTOP-GIJQJNRQSA-N 0 0 325.397 3.251 50 30 EGEARN COc1ccc(C(=O)C=CNc2cccc([N+](=O)[O-])c2)cc1OC ZINC000000318697 523540195 /nfs/dbraw/zinc/54/01/95/523540195.db2.gz PMWKRTMGYSIPLD-CMDGGOBGSA-N 0 0 328.324 3.421 50 30 EGEARN CNC(=S)N=NCc1ccc(OCCc2ccccc2)c(OC)c1 ZINC000004749632 523671466 /nfs/dbraw/zinc/67/14/66/523671466.db2.gz OBBSMLPAUPZWQP-MOSHPQCFSA-N 0 0 343.452 3.156 50 30 EGEARN Cc1ccc(C(=O)ONC(=N)c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000004690203 526237360 /nfs/dbraw/zinc/23/73/60/526237360.db2.gz IFOSHYZOFPHWSS-UHFFFAOYSA-N 0 0 333.731 3.034 50 30 EGEARN N#CCCN(CCC#N)C(=O)CSc1nc2ccccc2s1 ZINC000005629182 526454675 /nfs/dbraw/zinc/45/46/75/526454675.db2.gz YHOIGHYBQISIHM-UHFFFAOYSA-N 0 0 330.438 3.044 50 30 EGEARN N=C(NOC(=O)Cc1ccc(-c2ccccc2)cc1)c1cccnc1 ZINC000004899010 526808612 /nfs/dbraw/zinc/80/86/12/526808612.db2.gz RUMKQARJATWYTO-UHFFFAOYSA-N 0 0 331.375 3.155 50 30 EGEARN N#Cc1ccccc1N(Cn1cncn1)C(=O)c1ccc(Cl)cc1 ZINC000022014215 1291208541 /nfs/dbraw/zinc/20/85/41/1291208541.db2.gz DHYFOQIQQILSMI-UHFFFAOYSA-N 0 0 337.770 3.108 50 30 EGEARN C[C@H](c1nccs1)N(C)C(=O)c1ccc(C#CC(C)(C)O)cc1 ZINC000823637435 1320193848 /nfs/dbraw/zinc/19/38/48/1320193848.db2.gz DCFVGULVFBRIOT-CYBMUJFWSA-N 0 0 328.437 3.099 50 30 EGEARN N#Cc1cnc2c(/N=N/c3cccc(C(F)(F)F)c3)c(N)nn2c1N ZINC000004666071 210241261 /nfs/dbraw/zinc/24/12/61/210241261.db2.gz OEILQTKOCKLBAU-GHVJWSGMSA-N 0 0 346.276 3.200 50 30 EGEARN COc1ccc(OC)c(NC(=O)Cn2ccc3ccc(C#N)cc32)c1 ZINC000004661139 210239586 /nfs/dbraw/zinc/23/95/86/210239586.db2.gz CJCYFDIZQRMGQF-UHFFFAOYSA-N 0 0 335.363 3.169 50 30 EGEARN CSc1nc2n(n1)[C@H](c1cc(F)cc(F)c1)C1C(=O)CCCC1=N2 ZINC000004488265 295690066 /nfs/dbraw/zinc/69/00/66/295690066.db2.gz DLZSQWHOXSWOHZ-CQSZACIVSA-N 0 0 348.378 3.300 50 30 EGEARN Cc1cc(C(=O)ONC(=N)c2ccc(Cl)cc2)nn1C(C)(C)C ZINC000004394897 210186889 /nfs/dbraw/zinc/18/68/89/210186889.db2.gz OJWGQNDRJNIVII-UHFFFAOYSA-N 0 0 334.807 3.077 50 30 EGEARN CCOC(=O)C(C(=O)c1ccccc1)=C(N)C(Cl)(Cl)Cl ZINC000100986609 219112880 /nfs/dbraw/zinc/11/28/80/219112880.db2.gz PECCKOOEPGEWCV-PKNBQFBNSA-N 0 0 336.602 3.015 50 30 EGEARN COc1ccc(O)c(/C=N/NC(=S)Nc2cccc(Cl)c2)c1 ZINC000004360417 210179764 /nfs/dbraw/zinc/17/97/64/210179764.db2.gz QQOWAHYTENHEKP-RQZCQDPDSA-N 0 0 335.816 3.375 50 30 EGEARN NC(=NS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1Cl ZINC000004247665 210150586 /nfs/dbraw/zinc/15/05/86/210150586.db2.gz FZTVUOYMUGTAPH-UHFFFAOYSA-N 0 0 329.208 3.088 50 30 EGEARN C#CCn1c2ccccc2nc1[C@H]1CC(=O)N(c2ccccc2F)C1 ZINC000004033458 210104823 /nfs/dbraw/zinc/10/48/23/210104823.db2.gz UTMAIBSTUUUEPH-AWEZNQCLSA-N 0 0 333.366 3.329 50 30 EGEARN COc1ccc([C@@H]2C3C(=O)CCCC3=Nc3c(C#N)cnn32)cc1O ZINC000102841666 219235139 /nfs/dbraw/zinc/23/51/39/219235139.db2.gz ROZKVZNRMQTWLS-QGZVFWFLSA-N 0 0 336.351 3.140 50 30 EGEARN CCCCCCN1C(=O)C(O)=C(C(C)=O)[C@H]1c1ccc2c(c1)OCO2 ZINC000002462596 209852640 /nfs/dbraw/zinc/85/26/40/209852640.db2.gz QSSRFIRPIYTBRR-QGZVFWFLSA-N 0 0 345.395 3.280 50 30 EGEARN Cc1sc(NC(=O)Cn2c3ccccc3sc2=O)c(C#N)c1C ZINC000000818879 209691355 /nfs/dbraw/zinc/69/13/55/209691355.db2.gz ATNLBKHSCDJHAK-UHFFFAOYSA-N 0 0 343.433 3.252 50 30 EGEARN N#Cc1cn2c(nc3ccccc32)nc1NC(=O)c1ccc(F)cc1 ZINC000000388893 209566453 /nfs/dbraw/zinc/56/64/53/209566453.db2.gz YOJLXZNEISZSNJ-UHFFFAOYSA-N 0 0 331.310 3.146 50 30 EGEARN CCOC(=O)[C@H](C#N)[C@@]1(c2ccccc2OC)CCOC(C)(C)C1 ZINC000000206897 209484359 /nfs/dbraw/zinc/48/43/59/209484359.db2.gz JKYAQPBLKAVSMJ-KXBFYZLASA-N 0 0 331.412 3.225 50 30 EGEARN CCn1cc(C[N@@H+]2CC[C@@H](Cc3ccc(C(=O)[O-])cc3)C2)cc1C#N ZINC000072419441 216207874 /nfs/dbraw/zinc/20/78/74/216207874.db2.gz AZTWAZBNLAJDSI-INIZCTEOSA-N 0 0 337.423 3.142 50 30 EGEARN N#Cc1ccc(CCC(=O)N[C@H](c2cccnc2)C2CCOCC2)cc1 ZINC000225620163 241955984 /nfs/dbraw/zinc/95/59/84/241955984.db2.gz QWYPKMKFAKHIMI-NRFANRHFSA-N 0 0 349.434 3.170 50 30 EGEARN CC[C@H](CO)Nc1nc(SC)nc(-c2ccc(C)cc2)c1C#N ZINC000019820699 212071746 /nfs/dbraw/zinc/07/17/46/212071746.db2.gz OFNJJWGJBBSQGS-CYBMUJFWSA-N 0 0 328.441 3.228 50 30 EGEARN C=CCNc1ncnc2sc(C(=O)N3CCC[C@@H](C)C3)c(C)c21 ZINC000012036563 211281415 /nfs/dbraw/zinc/28/14/15/211281415.db2.gz RKRDQMRMAVPDNF-LLVKDONJSA-N 0 0 330.457 3.470 50 30 EGEARN N#Cc1ccccc1N1CCN(CCCCOc2ccccc2)CC1=O ZINC000092046963 218110617 /nfs/dbraw/zinc/11/06/17/218110617.db2.gz QIKUHLUOHSMBPW-UHFFFAOYSA-N 0 0 349.434 3.066 50 30 EGEARN COC(=O)C1C(C)=Nc2sc(C#N)c(N)c2[C@@H]1c1cccs1 ZINC000009303706 211064040 /nfs/dbraw/zinc/06/40/40/211064040.db2.gz LLJQEDQKUZLXAI-LLVKDONJSA-N 0 0 331.422 3.268 50 30 EGEARN N#Cc1cn(CC(=O)Nc2ccc3c(c2)OCCCO3)c2ccccc12 ZINC000009028107 211031966 /nfs/dbraw/zinc/03/19/66/211031966.db2.gz NSJHFOXPOFDCCU-UHFFFAOYSA-N 0 0 347.374 3.313 50 30 EGEARN CC1(C)[C@@H](C=C(Cl)Cl)[C@@H]1c1nc(C#N)c(N2CCOCC2)o1 ZINC000008915981 211016830 /nfs/dbraw/zinc/01/68/30/211016830.db2.gz LJMPDXBGTWWXJV-JOYOIKCWSA-N 0 0 342.226 3.441 50 30 EGEARN O=C1C=C/C(=N\S(=O)(=O)c2ccc(Cl)cc2)c2ccccc21 ZINC000000207194 296313703 /nfs/dbraw/zinc/31/37/03/296313703.db2.gz YMBSGIVUXBFWET-OBGWFSINSA-N 0 0 331.780 3.271 50 30 EGEARN O=C1N/C(=N\Nc2ccccc2)S/C1=C/c1ccc([N+](=O)[O-])cc1 ZINC000004985073 210349247 /nfs/dbraw/zinc/34/92/47/210349247.db2.gz YNDFHFHNBZQPJC-GXDHUFHOSA-N 0 0 340.364 3.182 50 30 EGEARN COc1ccc2c(c1)OCC/C2=N\OC(=O)c1ccccc1OC ZINC000004838422 210292863 /nfs/dbraw/zinc/29/28/63/210292863.db2.gz GPUKEHGVFPERNZ-XDJHFCHBSA-N 0 0 327.336 3.047 50 30 EGEARN C=CCn1cc(CN2CCc3nc[nH]c3[C@@H]2Cc2ccccc2)cn1 ZINC000067713034 258010887 /nfs/dbraw/zinc/01/08/87/258010887.db2.gz AFJBNRJUZYPEHU-IBGZPJMESA-N 0 0 333.439 3.134 50 30 EGEARN O=S(=O)(N/N=C/c1ccc(Cl)cc1Cl)c1ccccc1 ZINC000001386355 258049022 /nfs/dbraw/zinc/04/90/22/258049022.db2.gz GXHCURFFVDKZPK-CXUHLZMHSA-N 0 0 329.208 3.306 50 30 EGEARN O=[N+]([O-])c1ccccc1/C=N/N1CCN(c2ccc(Cl)cc2)CC1 ZINC000000135752 135645278 /nfs/dbraw/zinc/64/52/78/135645278.db2.gz DVAKTGFHOXUGRT-CPNJWEJPSA-N 0 0 344.802 3.404 50 30 EGEARN N#Cc1c(NC(=S)NC(=O)c2cccc(F)c2)sc2c1CCC2 ZINC000000570036 264023789 /nfs/dbraw/zinc/02/37/89/264023789.db2.gz SXGOFBZFPAPBLM-UHFFFAOYSA-N 0 0 345.424 3.374 50 30 EGEARN O=c1[nH]c2c3ccccc3[nH]c2c(=O)n1N=Cc1ccc(Cl)cc1 ZINC000008766572 275043017 /nfs/dbraw/zinc/04/30/17/275043017.db2.gz VJUQSCXLPWAKCD-DJKKODMXSA-N 0 0 338.754 3.119 50 30 EGEARN C=CCN1CC2(CCC1=O)CCN(C(=O)CCc1ccccc1)CC2 ZINC000092037195 275427107 /nfs/dbraw/zinc/42/71/07/275427107.db2.gz OLMGGAGKABUJHO-UHFFFAOYSA-N 0 0 340.467 3.036 50 30 EGEARN CCSc1nc(N2CCOCC2)c2c(c1C#N)CC(C)(C)SC2 ZINC000019802681 276403031 /nfs/dbraw/zinc/40/30/31/276403031.db2.gz ROCZZHNXACEJRE-UHFFFAOYSA-N 0 0 349.525 3.470 50 30 EGEARN C=CCSc1nnc2c(n1)O[C@H](CC)N(C(C)=O)c1ccccc1-2 ZINC000002470559 276906735 /nfs/dbraw/zinc/90/67/35/276906735.db2.gz GKBFBGCQLGZEMY-CQSZACIVSA-N 0 0 342.424 3.298 50 30 EGEARN COc1ccc(OC)c2c(N)c(C#N)c(C(F)(F)C(F)(F)F)nc12 ZINC000000036339 277920393 /nfs/dbraw/zinc/92/03/93/277920393.db2.gz BGMUZNANPQUDEH-UHFFFAOYSA-N 0 0 347.243 3.360 50 30 EGEARN CC(=O)c1cccc2c1NC(=C1Nc3c(cccc3C(C)=O)C1=O)C2=O ZINC000102347655 278252024 /nfs/dbraw/zinc/25/20/24/278252024.db2.gz NGHFBPAFTMSWPC-ISLYRVAYSA-N 0 0 346.342 3.220 50 30 EGEARN COc1cccc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)c1O ZINC000025758083 295292146 /nfs/dbraw/zinc/29/21/46/295292146.db2.gz JGCGVVLDMMVELZ-UHFFFAOYSA-N 0 0 339.391 3.102 50 30 EGEARN N#Cc1cc2c(nc1SCC(=O)N1CCCCC1)CCCCC2 ZINC000000100918 452505752 /nfs/dbraw/zinc/50/57/52/452505752.db2.gz WIJJHUDTUWYRDT-UHFFFAOYSA-N 0 0 329.469 3.327 50 30 EGEARN CCOC(=O)[C@H](C#N)[C@H](Cc1ccccc1)c1ccc2c(c1)OCO2 ZINC000000169035 452525560 /nfs/dbraw/zinc/52/55/60/452525560.db2.gz SHOOUTRHZYZRBO-IAGOWNOFSA-N 0 0 337.375 3.444 50 30 EGEARN COc1ccccc1[C@@H]1C(=C(C)O)C(=O)C(=O)N1c1ccc(F)cc1 ZINC000000273561 452552750 /nfs/dbraw/zinc/55/27/50/452552750.db2.gz FJTXVAFBMSTRJH-QGZVFWFLSA-N 0 0 341.338 3.323 50 30 EGEARN CC(C)(C)c1ccc(S(=O)(=O)N/N=C/c2ccccc2F)cc1 ZINC000000308155 452559161 /nfs/dbraw/zinc/55/91/61/452559161.db2.gz OYNIHPNQWWLSRZ-XDHOZWIPSA-N 0 0 334.416 3.436 50 30 EGEARN CCOc1ccc(-c2nc(C#N)c(N3C[C@H](C)O[C@@H](C)C3)o2)cc1 ZINC000000467640 452600468 /nfs/dbraw/zinc/60/04/68/452600468.db2.gz MRKYPOSHYHJRRX-STQMWFEESA-N 0 0 327.384 3.226 50 30 EGEARN O=c1c2[nH]c3ccc(Cl)cc3c2ncn1/N=C/c1cccc(O)c1 ZINC000000522484 452612625 /nfs/dbraw/zinc/61/26/25/452612625.db2.gz INMJJNDTEAILRS-DNTJNYDQSA-N 0 0 338.754 3.119 50 30 EGEARN COc1cc(OC)cc(C(=O)Nc2sc3c(c2C#N)CCC3)c1 ZINC000000803472 452635486 /nfs/dbraw/zinc/63/54/86/452635486.db2.gz UHUVYCAOCQRXOO-UHFFFAOYSA-N 0 0 328.393 3.378 50 30 EGEARN C=C(C)CN1c2ccccc2[C@@](O)(CC(=O)c2ccc(C)cc2)C1=O ZINC000001320636 452653845 /nfs/dbraw/zinc/65/38/45/452653845.db2.gz XFHPGHQCPRSYQC-NRFANRHFSA-N 0 0 335.403 3.378 50 30 EGEARN Cc1ccc(C=NN2C(=S)N=NC2COc2ccccc2)s1 ZINC000002700115 452714746 /nfs/dbraw/zinc/71/47/46/452714746.db2.gz ALPDIYKVYDGADH-CXUHLZMHSA-N 0 0 330.438 3.398 50 30 EGEARN C=CCOc1ccc(/C=C2/C(=O)N(CC)C(=S)N2C)cc1OCC ZINC000002819397 452728718 /nfs/dbraw/zinc/72/87/18/452728718.db2.gz GAFKSHLCYNAXMI-KAMYIIQDSA-N 0 0 346.452 3.070 50 30 EGEARN COC(=O)c1sc(NC(=O)[C@@]2(C)CC2(Cl)Cl)c(C#N)c1C ZINC000002872522 452732152 /nfs/dbraw/zinc/73/21/52/452732152.db2.gz ZMZBCHAVWIPFRQ-GFCCVEGCSA-N 0 0 347.223 3.237 50 30 EGEARN COc1ccc(Cn2c(SCC#N)nc3ccsc3c2=O)cc1 ZINC000002908640 452733158 /nfs/dbraw/zinc/73/31/58/452733158.db2.gz VYOPVNGKOYVDLO-UHFFFAOYSA-N 0 0 343.433 3.131 50 30 EGEARN Cc1ccc(OCCOc2ccccc2/C=N/n2cnnc2)cc1C ZINC000002961728 452735206 /nfs/dbraw/zinc/73/52/06/452735206.db2.gz XVWFSPFEQDSHDV-WSDLNYQXSA-N 0 0 336.395 3.235 50 30 EGEARN C#CCN1C(=O)S/C(=C/c2ccc(OCC)cc2OCC)C1=O ZINC000002993254 452738469 /nfs/dbraw/zinc/73/84/69/452738469.db2.gz RNGSWLAQGKKJQC-XNTDXEJSSA-N 0 0 331.393 3.154 50 30 EGEARN CCOC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCCCCC1 ZINC000003114386 452743708 /nfs/dbraw/zinc/74/37/08/452743708.db2.gz FKSYERDFLNEXFX-CQSZACIVSA-N 0 0 338.411 3.180 50 30 EGEARN C=CCN1C(=O)[C@@](O)(CC(=O)c2cccs2)c2cc(Cl)ccc21 ZINC000005267437 452853172 /nfs/dbraw/zinc/85/31/72/452853172.db2.gz AEYAJPNMBIANAJ-QGZVFWFLSA-N 0 0 347.823 3.395 50 30 EGEARN Cc1ccc(/C=N/N=C2/NC(=O)[C@H](Cc3ccc(C)cc3)S2)cc1 ZINC000006009264 452915607 /nfs/dbraw/zinc/91/56/07/452915607.db2.gz JSUBEKSQHNZZRZ-RONKMWSCSA-N 0 0 337.448 3.468 50 30 EGEARN CC(=O)N1CCc2c(C#N)c(NC(=O)C3CCCCC3)sc2C1 ZINC000006304732 452932951 /nfs/dbraw/zinc/93/29/51/452932951.db2.gz NCMSUZBRGAPGNE-UHFFFAOYSA-N 0 0 331.441 3.043 50 30 EGEARN CCc1ccc(N2CC(=O)C(c3nc4cc(C)ccc4[nH]3)=C2N)cc1 ZINC000007995048 453146350 /nfs/dbraw/zinc/14/63/50/453146350.db2.gz VBJVBWOTFDDKKF-UHFFFAOYSA-N 0 0 332.407 3.150 50 30 EGEARN N=C(NOC(=O)C=Cc1ccccc1)c1cccc(Br)c1 ZINC000012655352 453388361 /nfs/dbraw/zinc/38/83/61/453388361.db2.gz KOMITMJAIQFYHH-MDZDMXLPSA-N 0 0 345.196 3.326 50 30 EGEARN COc1cc(-c2cc(-c3ccc(O)cc3)nc(N)c2C#N)ccc1O ZINC000013126436 453446873 /nfs/dbraw/zinc/44/68/73/453446873.db2.gz WQBPXJSWOBGZJK-UHFFFAOYSA-N 0 0 333.347 3.289 50 30 EGEARN CSc1nc2n(n1)[C@H](c1ccccn1)C1C(=O)CC(C)(C)CC1=N2 ZINC000013123864 453447570 /nfs/dbraw/zinc/44/75/70/453447570.db2.gz KYGPMPOOLOOFDG-CQSZACIVSA-N 0 0 341.440 3.053 50 30 EGEARN C#CCn1c2ccccc2nc1[C@H]1CC(=O)N(c2cccc(C)c2)C1 ZINC000014095087 453505127 /nfs/dbraw/zinc/50/51/27/453505127.db2.gz OAJJILXWGGLLHB-INIZCTEOSA-N 0 0 329.403 3.498 50 30 EGEARN O=C1C[C@H](c2cccs2)CC2=Nc3ncnn3[C@H](c3cccnc3)C12 ZINC000018197305 453647564 /nfs/dbraw/zinc/64/75/64/453647564.db2.gz JMLDQNCADHTWMO-SJKOYZFVSA-N 0 0 349.419 3.150 50 30 EGEARN C=CCOc1cccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000024614012 453739719 /nfs/dbraw/zinc/73/97/19/453739719.db2.gz VKSWGSKGAKBWQP-UHFFFAOYSA-N 0 0 348.380 3.269 50 30 EGEARN CNC(=O)O[C@H]1C=CC(=O)[C@@](C)(c2ccc(-c3ccccc3)cc2)O1 ZINC000033815019 453917509 /nfs/dbraw/zinc/91/75/09/453917509.db2.gz WAFJSVJRYUCSTB-UYAOXDASSA-N 0 0 337.375 3.406 50 30 EGEARN CC(C)c1nc(C#N)c(N=NCc2ccccc2OCC[NH+](C)C)o1 ZINC000035671311 453924014 /nfs/dbraw/zinc/92/40/14/453924014.db2.gz LBSUIYKUNQLTAF-UDWIEESQSA-N 0 0 341.415 3.056 50 30 EGEARN COc1cc2c(cc1OC)C(=O)/C(=C\c1ccc(O)c(OC)c1)C2 ZINC000085880107 454041089 /nfs/dbraw/zinc/04/10/89/454041089.db2.gz FLMBUHUCBMHMRZ-MLPAPPSSSA-N 0 0 326.348 3.240 50 30 biogenic EGEARN C=CCn1ncc(C[N@@H+]2CCC[C@@H](c3cccc(C(=O)[O-])c3)C2)c1C ZINC000095353416 454196105 /nfs/dbraw/zinc/19/61/05/454196105.db2.gz IIQXSYHPZHZVHK-GOSISDBHSA-N 0 0 339.439 3.455 50 30 EGEARN CCn1ncc(-c2c(C)c(-c3ccc(O)cc3)nc(N)c2C#N)c1C ZINC000071416183 454206032 /nfs/dbraw/zinc/20/60/32/454206032.db2.gz FLTKLFLINYYCIZ-UHFFFAOYSA-N 0 0 333.395 3.408 50 30 EGEARN CC1(C)[C@H]2CC[C@@]13O[C@H]3C[C@H]1[C@@H](OCCO)CCC[C@@]1(C)C(=O)C2 ZINC000071786552 454217933 /nfs/dbraw/zinc/21/79/33/454217933.db2.gz PPBXUWWTMQYOIT-SWXUPSNXSA-N 0 0 336.472 3.107 50 30 EGEARN CC(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccccc1Cl ZINC000101153017 454469823 /nfs/dbraw/zinc/46/98/23/454469823.db2.gz SKFGOTGSZHLBBM-RBFDBLARSA-N 0 0 342.782 3.220 50 30 EGEARN C=CCNc1ccccc1C(=O)N(CC)Cc1noc(CCC)n1 ZINC000065527785 454585465 /nfs/dbraw/zinc/58/54/65/454585465.db2.gz KHECXCNSAJNILB-UHFFFAOYSA-N 0 0 328.416 3.282 50 30 EGEARN C=C1CC[C@@H]2[C@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]1CC=C1C(=O)COC1=O ZINC000110786817 454853116 /nfs/dbraw/zinc/85/31/16/454853116.db2.gz QQCLBMUOIGPCDE-MCQYLCLSSA-N 0 0 348.439 3.001 50 30 EGEARN C[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@H]2[C@H](O)C[C@]3(C)[C@@H](CC[C@]3(C)O)[C@@H]12 ZINC000257358325 455898137 /nfs/dbraw/zinc/89/81/37/455898137.db2.gz SUKMOMANEUHOTO-MNJZNFBESA-N 0 0 332.484 3.486 50 30 EGEARN CC(C)c1cc(CN(C)C(=O)c2ccc(C#CC(C)(C)O)cc2)on1 ZINC000223863261 456060881 /nfs/dbraw/zinc/06/08/81/456060881.db2.gz UXFIXKSZMKDKEV-UHFFFAOYSA-N 0 0 340.423 3.193 50 30 EGEARN COc1cc(CO/N=C(\C)c2ccc(NC(C)=O)cc2)ncc1C ZINC000585137359 459828747 /nfs/dbraw/zinc/82/87/47/459828747.db2.gz ULTPOCDEYLYMKF-FYJGNVAPSA-N 0 0 327.384 3.298 50 30 EGEARN C#CCn1c2c(cccc2OC)sc1=NC(=O)Cc1ccccc1 ZINC000100910451 518340810 /nfs/dbraw/zinc/34/08/10/518340810.db2.gz MRKCMGOOLGXRNS-VXPUYCOJSA-N 0 0 336.416 3.015 50 30 EGEARN C=CCNC(=O)COc1ccccc1-c1noc(-c2ccc(C)cc2)n1 ZINC000033325162 518896770 /nfs/dbraw/zinc/89/67/70/518896770.db2.gz ABTUJEJZUBOLCS-UHFFFAOYSA-N 0 0 349.390 3.393 50 30 EGEARN C=CCOc1cccc(C(=O)NCc2nc(-c3ccccc3)no2)c1 ZINC000004842578 519052742 /nfs/dbraw/zinc/05/27/42/519052742.db2.gz PKXUKJPLTYKZTM-UHFFFAOYSA-N 0 0 335.363 3.231 50 30 EGEARN C=CCn1c(SCc2cccc(OC)c2)nnc1-c1cnccn1 ZINC000016755588 519244347 /nfs/dbraw/zinc/24/43/47/519244347.db2.gz CCNZNCHIXUJHJV-UHFFFAOYSA-N 0 0 339.424 3.222 50 30 EGEARN C=CCn1cc(CNCc2cc(-c3ccc(OC)cc3)on2)c(C)n1 ZINC000055134251 519281400 /nfs/dbraw/zinc/28/14/00/519281400.db2.gz GCNSFDQATHRKHQ-UHFFFAOYSA-N 0 0 338.411 3.331 50 30 EGEARN CC(C)OC(=O)COc1ccc2c(c1)O/C(=C\c1ccco1)C2=O ZINC000005789799 519747542 /nfs/dbraw/zinc/74/75/42/519747542.db2.gz IBJKQKSXCAOXHU-SXGWCWSVSA-N 0 0 328.320 3.226 50 30 biogenic EGEARN COc1cc(/C=N/n2c(C)nnc2C)ccc1OCc1ccccc1 ZINC000000228386 522003076 /nfs/dbraw/zinc/00/30/76/522003076.db2.gz NTVAEUSNLIFXPI-UDWIEESQSA-N 0 0 336.395 3.365 50 30 EGEARN COc1ccc(-c2csc(N=NCc3ccc(O)cc3)n2)cc1 ZINC000023211993 523159034 /nfs/dbraw/zinc/15/90/34/523159034.db2.gz TWUOEBNIQNIVFW-ZDLGFXPLSA-N 0 0 325.393 3.392 50 30 EGEARN COc1ccc(C(=O)C=CNc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000015659867 523538266 /nfs/dbraw/zinc/53/82/66/523538266.db2.gz UTSFPROGGSMBEB-MDZDMXLPSA-N 0 0 328.324 3.421 50 30 EGEARN N=C(NOC(=O)Cc1ccc(-c2ccccc2)cc1)c1ccncc1 ZINC000013572095 526828117 /nfs/dbraw/zinc/82/81/17/526828117.db2.gz PRKFUFAUXKJWDS-UHFFFAOYSA-N 0 0 331.375 3.364 50 30 EGEARN O=S1(=O)CCC[C@@H]1/C=N/N(Cc1ccccc1)c1ccccc1 ZINC000005376102 527302624 /nfs/dbraw/zinc/30/26/24/527302624.db2.gz DIZBFEDNKUWDHF-XWALVKJWSA-N 0 0 328.437 3.256 50 30 EGEARN Cc1cc(C(=O)Cn2cc(C#N)ccc2=O)c(C)n1Cc1ccccc1 ZINC000197195134 547234961 /nfs/dbraw/zinc/23/49/61/547234961.db2.gz FMYGNANMYYHBSU-UHFFFAOYSA-N 0 0 345.402 3.070 50 30 in-vitro EGEARN CCCC[C@H](NS(=O)(=O)c1ccc(C#N)cc1)c1cccnc1 ZINC000822830932 1320127395 /nfs/dbraw/zinc/12/73/95/1320127395.db2.gz SMLLFCVLQUZCLJ-KRWDZBQOSA-N 0 0 329.425 3.163 50 30 EGEARN CC(C)(O)C#Cc1ccc(C(=O)N2CC3C[C@@H]4CC2C[C@H](C3)C4)cc1 ZINC000952964112 1334625541 /nfs/dbraw/zinc/62/55/41/1334625541.db2.gz BHKNSAZBNHZYGD-ZVBHREPYSA-N 0 0 337.463 3.460 50 30 EGEARN CC/N=C1\S/C(=C\c2cccn2-c2ccc(O)cc2)C(=O)N1CC ZINC000004704816 210254233 /nfs/dbraw/zinc/25/42/33/210254233.db2.gz WBFVBVGMRKUKIC-CEVXTBJXSA-N 0 0 341.436 3.495 50 30 EGEARN CCCCC(=O)Nc1ccc(C(=O)N(CCC#N)CCC#N)cc1 ZINC000004696332 210250965 /nfs/dbraw/zinc/25/09/65/210250965.db2.gz LVJPFXFBUPSUSL-UHFFFAOYSA-N 0 0 326.400 3.085 50 30 EGEARN CCOc1cc([C@@H]2CC(=O)NC3=C2C(=O)CC(C)(C)C3)ccc1O ZINC000004488897 210202132 /nfs/dbraw/zinc/20/21/32/210202132.db2.gz DDQTZQZGODJTJL-LBPRGKRZSA-N 0 0 329.396 3.038 50 30 EGEARN COc1ccc(C2N=NC(=S)N2N=Cc2ccc(C)o2)cc1OC ZINC000004366331 210180979 /nfs/dbraw/zinc/18/09/79/210180979.db2.gz PQIACLNHQCSAGR-RQZCQDPDSA-N 0 0 344.396 3.035 50 30 EGEARN CC(=O)N1CCc2c(C#N)c(NC(=O)c3ccc(C)cc3)sc2C1 ZINC000004275171 210157805 /nfs/dbraw/zinc/15/78/05/210157805.db2.gz MGYRZKCYAGODKE-UHFFFAOYSA-N 0 0 339.420 3.085 50 30 EGEARN O=[N+]([O-])c1ccc(/C=N/NC(=S)NC2CCCCC2)cc1Cl ZINC000004210557 210145693 /nfs/dbraw/zinc/14/56/93/210145693.db2.gz INTBKHVCSTVKEN-CXUHLZMHSA-N 0 0 340.836 3.379 50 30 EGEARN COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2C)cc1 ZINC000102671638 219221439 /nfs/dbraw/zinc/22/14/39/219221439.db2.gz LIFKDENNUZQDGZ-HVESIFNPSA-N 0 0 337.375 3.055 50 30 EGEARN C=CCn1cc(-c2cc(-c3ccc(OC)cc3)nc(N)c2C#N)cn1 ZINC000067473338 215151731 /nfs/dbraw/zinc/15/17/31/215151731.db2.gz USJMZTGXTCXRCC-UHFFFAOYSA-N 0 0 331.379 3.261 50 30 EGEARN COc1nc(C)c(-c2cccc(CN3CCOCC3)c2)c(C)c1C#N ZINC000067872225 215236383 /nfs/dbraw/zinc/23/63/83/215236383.db2.gz SEKDWQOJDSQORZ-UHFFFAOYSA-N 0 0 337.423 3.078 50 30 EGEARN Cc1csc([C@H](C)n2ccnc2-c2cc(C#CCO)cs2)n1 ZINC000071749888 215805429 /nfs/dbraw/zinc/80/54/29/215805429.db2.gz FGZVGYPVACKMLQ-LBPRGKRZSA-N 0 0 329.450 3.330 50 30 EGEARN Cc1ccc(C#N)c(SCC(=O)c2cc3ccccc3oc2=O)n1 ZINC000000044152 209386416 /nfs/dbraw/zinc/38/64/16/209386416.db2.gz OQYIZWVGLSIGOY-UHFFFAOYSA-N 0 0 336.372 3.343 50 30 EGEARN CCOc1ccc(-c2c(C#N)c(N)nc(SCC#N)c2C#N)cc1 ZINC000020011033 212093169 /nfs/dbraw/zinc/09/31/69/212093169.db2.gz YQEYVQLMNPZHIZ-UHFFFAOYSA-N 0 0 335.392 3.089 50 30 EGEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1cccnc1 ZINC000019867146 212077131 /nfs/dbraw/zinc/07/71/31/212077131.db2.gz IGXCTQSBKPSGCN-KRWDZBQOSA-N 0 0 326.396 3.003 50 30 EGEARN N#CCSc1nc2cc(-c3ccc(Cl)cc3)sc2c(=O)n1N ZINC000019797116 212069987 /nfs/dbraw/zinc/06/99/87/212069987.db2.gz MFWWXOBNTZMAHK-UHFFFAOYSA-N 0 0 348.840 3.108 50 30 EGEARN CC(C)(C)c1ccc(S(=O)(=O)N/N=C\c2ccccc2O)cc1 ZINC000017068373 211949723 /nfs/dbraw/zinc/94/97/23/211949723.db2.gz LDJGTGYXLGLYDP-PDGQHHTCSA-N 0 0 332.425 3.002 50 30 EGEARN CC[C@H]1S/C(=N/N=C(\C)c2ccc(Br)cc2)NC1=O ZINC000012419074 211375275 /nfs/dbraw/zinc/37/52/75/211375275.db2.gz CSCSIQBUYKBJIC-FNQVVVRFSA-N 0 0 340.246 3.171 50 30 EGEARN C=CCN1CC2(CCC1=O)CCN(C(=O)Nc1cccc(F)c1)CC2 ZINC000091636304 218037080 /nfs/dbraw/zinc/03/70/80/218037080.db2.gz LCABLRPCXGGIJE-UHFFFAOYSA-N 0 0 345.418 3.248 50 30 EGEARN CC(C)CCN1C[C@@]2(CCCN(c3cc(C#N)ccn3)C2)CCC1=O ZINC000091644448 218037276 /nfs/dbraw/zinc/03/72/76/218037276.db2.gz FMKGAJLKUNULCB-FQEVSTJZSA-N 0 0 340.471 3.208 50 30 EGEARN O=C1N/C(=N/N=C/c2cccs2)S[C@@H]1Cc1ccc(F)cc1 ZINC000009014126 211032147 /nfs/dbraw/zinc/03/21/47/211032147.db2.gz FVJDHQXBYPVFCY-LFMVTYOGSA-N 0 0 333.413 3.051 50 30 EGEARN CCC(=O)OCCNc1nc(SC)nc(-c2ccccc2)c1C#N ZINC000008844202 211010145 /nfs/dbraw/zinc/01/01/45/211010145.db2.gz YQKVBJBIAFIZHP-UHFFFAOYSA-N 0 0 342.424 3.102 50 30 EGEARN O=C1C[C@@H](c2ccccc2)CC2=Nc3ncnn3[C@H](c3ccco3)C12 ZINC000008968904 296344691 /nfs/dbraw/zinc/34/46/91/296344691.db2.gz IGBCCXRSSNBCGZ-SCLBCKFNSA-N 0 0 332.363 3.287 50 30 EGEARN O=S(=O)(N=C(Nc1ccccn1)c1ccccc1)c1ccccc1 ZINC000005278389 210433291 /nfs/dbraw/zinc/43/32/91/210433291.db2.gz ZNYUPEQXQIKTKE-UHFFFAOYSA-N 0 0 337.404 3.329 50 30 EGEARN C=CCN(Cc1ccccc1Cl)C(=O)c1ccc2n[nH]nc2c1 ZINC000055575667 258015016 /nfs/dbraw/zinc/01/50/16/258015016.db2.gz CBLMQAQJDLZNGM-UHFFFAOYSA-N 0 0 326.787 3.440 50 30 EGEARN Cc1ccc(-c2csc3nc(C)n(/N=C/N(C)C)c(=O)c23)cc1 ZINC000004071033 292030807 /nfs/dbraw/zinc/03/08/07/292030807.db2.gz SWVHMMRMIULNDA-VCHYOVAHSA-N 0 0 326.425 3.095 50 30 EGEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(C#N)cc1 ZINC000226760327 285670018 /nfs/dbraw/zinc/67/00/18/285670018.db2.gz MRKUPFJNRYAJLD-GOSISDBHSA-N 0 0 336.391 3.089 50 30 EGEARN CCCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCOCC1 ZINC000004170447 273623721 /nfs/dbraw/zinc/62/37/21/273623721.db2.gz HTRTVEISQPXMEU-UHFFFAOYSA-N 0 0 334.423 3.457 50 30 EGEARN N#CCCN(CCC#N)C(=O)COc1ccc(Cl)cc1Cl ZINC000002855705 452730144 /nfs/dbraw/zinc/73/01/44/452730144.db2.gz CUTVKDDDUJIWHK-UHFFFAOYSA-N 0 0 326.183 3.028 50 30 EGEARN COc1cccc(N2C(=O)C(=O)C(=C(C)O)[C@H]2c2ccc(F)cc2)c1 ZINC000000536452 278015238 /nfs/dbraw/zinc/01/52/38/278015238.db2.gz ZRTXXARWKAJJSZ-QGZVFWFLSA-N 0 0 341.338 3.323 50 30 EGEARN COc1ccccc1Cn1c(N)c(C#N)c2nc3ccccc3nc21 ZINC000000503873 278051696 /nfs/dbraw/zinc/05/16/96/278051696.db2.gz BJMFAABVZRZYTR-UHFFFAOYSA-N 0 0 329.363 3.095 50 30 EGEARN COc1cc([C@@H]2CC(=O)NC3=C2C(=O)CC(C)(C)C3)cc(Cl)c1O ZINC000004488869 295020463 /nfs/dbraw/zinc/02/04/63/295020463.db2.gz ROKHFNYOTVOAOB-JTQLQIEISA-N 0 0 349.814 3.301 50 30 EGEARN C[C@@H]1CCc2c(C#N)c(NC(=O)CSc3ncccn3)sc2C1 ZINC000000077244 452499967 /nfs/dbraw/zinc/49/99/67/452499967.db2.gz WLAOQTKHMAJDDK-SNVBAGLBSA-N 0 0 344.465 3.265 50 30 EGEARN C/C(=N\n1c(C)cc(C)c(C#N)c1=O)c1ccc(Br)cc1 ZINC000000116646 452512770 /nfs/dbraw/zinc/51/27/70/452512770.db2.gz IBLZACPVWVRFCP-XDHOZWIPSA-N 0 0 344.212 3.372 50 30 EGEARN N#C[C@]1(Nc2ccc(Br)cc2)C(=O)Nc2ccccc21 ZINC000000548932 452619956 /nfs/dbraw/zinc/61/99/56/452619956.db2.gz MCKQWTDZROCLAD-OAHLLOKOSA-N 0 0 328.169 3.232 50 30 EGEARN COC(=O)CSc1nc(-c2ccco2)cc(C(F)(F)F)c1C#N ZINC000000804080 452634522 /nfs/dbraw/zinc/63/45/22/452634522.db2.gz XGCFORFMXYNDCO-UHFFFAOYSA-N 0 0 342.298 3.497 50 30 EGEARN Cc1ccc(S(=O)(=O)N/N=C/C2=Cc3ccccc3O[C@H]2C)cc1 ZINC000002398984 452694660 /nfs/dbraw/zinc/69/46/60/452694660.db2.gz RRZYNYDKSPBTTK-BXUJETTOSA-N 0 0 342.420 3.124 50 30 EGEARN CCCOc1ccc(-c2nc(C#N)c(N3CCN(CC)CC3)o2)cc1 ZINC000002422666 452697629 /nfs/dbraw/zinc/69/76/29/452697629.db2.gz XTWUFIGSHOSSSS-UHFFFAOYSA-N 0 0 340.427 3.144 50 30 EGEARN COc1ccc(NC(=S)N/N=C/c2ccc(OC)c(OC)c2)cc1 ZINC000002506491 452702863 /nfs/dbraw/zinc/70/28/63/452702863.db2.gz GCGUMCKVRBXPNY-WOJGMQOQSA-N 0 0 345.424 3.033 50 30 EGEARN Cc1sc(NC(=O)c2cc(C(F)(F)F)nn2C)c(C#N)c1C ZINC000002758666 452720891 /nfs/dbraw/zinc/72/08/91/452720891.db2.gz KUONPQGTXJBIAG-UHFFFAOYSA-N 0 0 328.319 3.241 50 30 EGEARN COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(Cl)cc1 ZINC000004728285 452815506 /nfs/dbraw/zinc/81/55/06/452815506.db2.gz GESKFUHCDXOIMG-INIZCTEOSA-N 0 0 331.799 3.481 50 30 EGEARN Cc1ccc(N2CC(=O)C(c3nc4ccccc4s3)=C2N)cc1O ZINC000005182924 452842831 /nfs/dbraw/zinc/84/28/31/452842831.db2.gz OEKQQXQCRLBXEW-UHFFFAOYSA-N 0 0 337.404 3.027 50 30 EGEARN Cc1ccccc1[N-][NH+]=Cc1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000005337864 452861520 /nfs/dbraw/zinc/86/15/20/452861520.db2.gz SFCJIKAAINHXAT-CPNJWEJPSA-N 0 0 340.383 3.186 50 30 EGEARN CCN(CC)C(=O)CSc1nc(C)cc(C(F)(F)F)c1C#N ZINC000005393262 452867515 /nfs/dbraw/zinc/86/75/15/452867515.db2.gz QUYQHFPCEVKZHX-UHFFFAOYSA-N 0 0 331.363 3.241 50 30 EGEARN COc1ccc(/C=N/NC(=S)Nc2ccc(F)cc2)cc1OC ZINC000005640301 452891670 /nfs/dbraw/zinc/89/16/70/452891670.db2.gz NMSFYUMYAJNDEA-VCHYOVAHSA-N 0 0 333.388 3.163 50 30 EGEARN COc1ccccc1C1N=NC(=S)N1N=Cc1ccc(C)s1 ZINC000005969506 452914011 /nfs/dbraw/zinc/91/40/11/452914011.db2.gz GTRDEZJHFFKBQT-CXUHLZMHSA-N 0 0 330.438 3.495 50 30 EGEARN CN(C)/C=C(/C(=O)c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000012861103 453415195 /nfs/dbraw/zinc/41/51/95/453415195.db2.gz NAAYNOPKRYBNSN-VBKFSLOCSA-N 0 0 349.839 3.400 50 30 EGEARN Cc1cccc(OCc2nc(C#N)c(NCCCn3ccnc3)o2)c1 ZINC000013465413 453464353 /nfs/dbraw/zinc/46/43/53/453464353.db2.gz VLUWSEUDIBZEGH-UHFFFAOYSA-N 0 0 337.383 3.132 50 30 EGEARN CC/C(=N\NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(O)cc1 ZINC000013555198 453470008 /nfs/dbraw/zinc/47/00/08/453470008.db2.gz JNDDVNLWXMUAJO-BMRADRMJSA-N 0 0 338.816 3.138 50 30 EGEARN CNC(=S)NN=Cc1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000013555130 453470595 /nfs/dbraw/zinc/47/05/95/453470595.db2.gz SRROTGVKHLTQEM-FRKPEAEDSA-N 0 0 338.776 3.347 50 30 EGEARN C=CC/N=C1\S/C(=C\c2ccc(N(C)C)cc2)C(=O)N1CC=C ZINC000015978909 453590682 /nfs/dbraw/zinc/59/06/82/453590682.db2.gz LRFRNQSODLHFTP-PIVKVMHHSA-N 0 0 327.453 3.397 50 30 EGEARN COc1ccc(C(=O)C2=C(O)C(=O)N[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000016971878 453625331 /nfs/dbraw/zinc/62/53/31/453625331.db2.gz XILJOPTZYIHMRD-OAHLLOKOSA-N 0 0 343.766 3.215 50 30 EGEARN Oc1ccc(Cl)cc1[C@H](C#Cc1ccccc1)N1CCOCC1 ZINC000019770600 453659865 /nfs/dbraw/zinc/65/98/65/453659865.db2.gz AEMGXLDTHKNMOY-SFHVURJKSA-N 0 0 327.811 3.471 50 30 EGEARN CSc1nc(-c2ccc(Cl)cc2)c(C#N)c(N2CCOCC2)n1 ZINC000019794136 453659981 /nfs/dbraw/zinc/65/99/81/453659981.db2.gz XDBGRYHIBDQZAX-UHFFFAOYSA-N 0 0 346.843 3.227 50 30 EGEARN Cc1ccc(Sc2ccc(/C=N/[C@H]3CCS(=O)(=O)C3)o2)cc1 ZINC000032593345 453879379 /nfs/dbraw/zinc/87/93/79/453879379.db2.gz JYWJRGHIKMAPON-VZWMTCDZSA-N 0 0 335.450 3.345 50 30 EGEARN COc1ccc(/C=N/N2C(=O)C[C@@H]2c2ccccc2)c(OC)c1OC ZINC000071283872 454203793 /nfs/dbraw/zinc/20/37/93/454203793.db2.gz NRTMAAZPSDRVNR-RVZJCZPVSA-N 0 0 340.379 3.020 50 30 EGEARN CC(C)c1ccc(CNC(=O)CSc2ncccc2C#N)cc1 ZINC000071326963 454204648 /nfs/dbraw/zinc/20/46/48/454204648.db2.gz OBOSLIXGJAVKDK-UHFFFAOYSA-N 0 0 325.437 3.485 50 30 EGEARN N#Cc1c(N)nc(-c2cc3ccccn3c2)cc1-c1ccc(CO)o1 ZINC000071748402 454212922 /nfs/dbraw/zinc/21/29/22/454212922.db2.gz ZDWXKVUIZRXVRS-UHFFFAOYSA-N 0 0 330.347 3.207 50 30 EGEARN C=CCn1c2ccccc2nc1[C@@H]1c2[nH]cnc2CCN1CC1CC1 ZINC000072433935 454295912 /nfs/dbraw/zinc/29/59/12/454295912.db2.gz PJRHXZJSOKBSPP-IBGZPJMESA-N 0 0 333.439 3.303 50 30 EGEARN CC1=NOC(=O)[C@]12c1ccccc1N(Cc1ccccc1Cl)C2=O ZINC000096191580 454301310 /nfs/dbraw/zinc/30/13/10/454301310.db2.gz BVAFCJCRSLGPJE-SFHVURJKSA-N 0 0 340.766 3.057 50 30 EGEARN C[C@@H]1CC(NCc2ccccc2)=CC(=O)[C@@H]1C(=O)NCc1ccccc1 ZINC000100000757 454463224 /nfs/dbraw/zinc/46/32/24/454463224.db2.gz GLBNMIOAGOTENI-IIBYNOLFSA-N 0 0 348.446 3.202 50 30 EGEARN COc1ccccc1/N=C1\c2ccc([N+](=O)[O-])cc2C(=O)[C@H]1C(C)=O ZINC000100707461 454467454 /nfs/dbraw/zinc/46/74/54/454467454.db2.gz IJZHYDGDBNTRCW-QBHGPPCGSA-N 0 0 338.319 3.126 50 30 EGEARN N#Cc1ccc(C(=O)Nc2cccc(-c3nnc4n3CCCC4)c2)cc1 ZINC000169755522 454931354 /nfs/dbraw/zinc/93/13/54/454931354.db2.gz WTYAOWLJIXEJQM-UHFFFAOYSA-N 0 0 343.390 3.405 50 30 EGEARN C[C@@]1(NC(=S)Nc2ccc3ccccc3c2)CCS(=O)(=O)C1 ZINC000334158988 456306986 /nfs/dbraw/zinc/30/69/86/456306986.db2.gz RRAAUQYJISORGZ-MRXNPFEDSA-P 0 0 335.474 3.261 50 30 EGEARN C#CCn1c2c(cccc2OC)s/c1=N\C(=O)C1CCCCC1 ZINC000100910162 518341318 /nfs/dbraw/zinc/34/13/18/518341318.db2.gz QFUDKRLCKXAZJL-HNENSFHCSA-N 0 0 328.437 3.352 50 30 EGEARN C#CCn1c2c(cccc2OCC)s/c1=N\C(=O)c1ccccc1 ZINC000100909817 518342535 /nfs/dbraw/zinc/34/25/35/518342535.db2.gz NBDZWKYYCITPJJ-VXPUYCOJSA-N 0 0 336.416 3.476 50 30 EGEARN C=CCN(Cc1ccccc1OC)C(=O)Cn1nc(C)c(C)c1C ZINC000055341932 518785878 /nfs/dbraw/zinc/78/58/78/518785878.db2.gz PTVOYTXCUXHRPT-UHFFFAOYSA-N 0 0 327.428 3.032 50 30 EGEARN CCCCCCCCNS(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000003190353 520037571 /nfs/dbraw/zinc/03/75/71/520037571.db2.gz ONGBHHTXXGCYAQ-UHFFFAOYSA-N 0 0 326.462 3.284 50 30 EGEARN CN(C)c1ccc([C@H]2CC(=O)C=C(NCCc3ccccn3)C2)cc1 ZINC000019924690 522249091 /nfs/dbraw/zinc/24/90/91/522249091.db2.gz ZHGDJOJHOFTWSZ-QGZVFWFLSA-N 0 0 335.451 3.310 50 30 EGEARN N#CCc1cc(F)c(I)c(Br)c1 ZINC000169797938 534716207 /nfs/dbraw/zinc/71/62/07/534716207.db2.gz HTDUMBAQKJISLF-UHFFFAOYSA-N 0 0 339.933 3.259 50 30 EGEARN COc1ccc(Cl)cc1C(=O)ONC(=N)c1ccccc1Cl ZINC000005064150 524199210 /nfs/dbraw/zinc/19/92/10/524199210.db2.gz IUTQKOCYFQEICC-UHFFFAOYSA-N 0 0 339.178 3.479 50 30 EGEARN Cc1ccc(OCC(=O)ONC(=N)c2ccc(Cl)cc2)cc1C ZINC000004819564 525398069 /nfs/dbraw/zinc/39/80/69/525398069.db2.gz GGCDMBLOJUEWOQ-UHFFFAOYSA-N 0 0 332.787 3.199 50 30 EGEARN COc1cccc(CN=Nc2nnnn2-c2cccc3ccccc32)c1 ZINC000004380224 525771801 /nfs/dbraw/zinc/77/18/01/525771801.db2.gz GENCRTWJPDKVGV-DEDYPNTBSA-N 0 0 344.378 3.270 50 30 EGEARN COc1ccc(C(=O)N2CCCC[C@H]2[C@@H](C#N)c2ccccc2)cn1 ZINC000072297929 546570523 /nfs/dbraw/zinc/57/05/23/546570523.db2.gz XWRZJENCIOTAHZ-ROUUACIJSA-N 0 0 335.407 3.392 50 30 EGEARN COc1ccc(C=C2SC(=S)NC2=O)cc1C#C[Si](C)(C)C ZINC000210454141 1296102524 /nfs/dbraw/zinc/10/25/24/1296102524.db2.gz JHFDWHHUUUMRLK-UVTDQMKNSA-N 0 0 347.537 3.413 50 30 EGEARN C=C(C)COc1ccccc1NC(=O)[C@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000952961614 1334625372 /nfs/dbraw/zinc/62/53/72/1334625372.db2.gz GKYAAIAWSOZULK-XHSDSOJGSA-N 0 0 332.444 3.078 50 30 EGEARN C=C1C(=O)O[C@@H]2C=C(C)C[C@H](O)C=C(C)C[C@@H](OC(=O)[C@H](C)CC)[C@@H]12 ZINC001772820305 1441417788 /nfs/dbraw/zinc/41/77/88/1441417788.db2.gz DNLWUIJEVXJWBD-JVNHZCFISA-N 0 0 348.439 3.089 50 30 EGEARN C#CCOc1ccc(/C=C2\NC(=O)N(Cc3cccc(C)c3)C2=O)cc1 ZINC000004699514 210251304 /nfs/dbraw/zinc/25/13/04/210251304.db2.gz AVAJIZKOIHMOCE-UYRXBGFRSA-N 0 0 346.386 3.100 50 30 EGEARN COc1ccc(C[C@H](C#N)C(=O)Nc2ccc(F)cc2)c(OC)c1 ZINC000057524932 214434113 /nfs/dbraw/zinc/43/41/13/214434113.db2.gz SXVSNCSQEIGBRH-CYBMUJFWSA-N 0 0 328.343 3.164 50 30 EGEARN COc1cc(OC)nc(N=NC(c2ccccc2)c2ccccc2)n1 ZINC000004667622 210241910 /nfs/dbraw/zinc/24/19/10/210241910.db2.gz TXJCFHUWPKKBNS-UHFFFAOYSA-N 0 0 334.379 3.358 50 30 EGEARN CCOc1cccc(C(=O)Nc2sc(C(=O)OC)c(C)c2C#N)c1 ZINC000004537763 210216262 /nfs/dbraw/zinc/21/62/62/210216262.db2.gz ZEWMFUABIJMVSH-UHFFFAOYSA-N 0 0 344.392 3.366 50 30 EGEARN Cc1[n-]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1N=Nc1cccc(C)c1 ZINC000101493741 219129165 /nfs/dbraw/zinc/12/91/65/219129165.db2.gz OSJGSSMKRZDKCE-MNDPQUGUSA-N 0 0 337.339 3.094 50 30 EGEARN COc1ccc(C(=O)C=CNc2ccc(NC(C)=O)cc2)cc1OC ZINC000004179399 210140638 /nfs/dbraw/zinc/14/06/38/210140638.db2.gz ZWAOMUGIVYCJTE-ZHACJKMWSA-N 0 0 340.379 3.471 50 30 EGEARN CC(C)Oc1cccc(-c2cc(-c3cnn(C)c3)c(C#N)c(N)n2)c1 ZINC000067843340 215228477 /nfs/dbraw/zinc/22/84/77/215228477.db2.gz ZFKXGELXPNCKJY-UHFFFAOYSA-N 0 0 333.395 3.390 50 30 EGEARN COc1cccc2c1CCc1c-2nc(N)c(C#N)c1-c1ccc(CO)o1 ZINC000067871961 215236672 /nfs/dbraw/zinc/23/66/72/215236672.db2.gz WNLJUDZZPHBZSZ-UHFFFAOYSA-N 0 0 347.374 3.062 50 30 EGEARN CN1C(=O)N[C@H](c2ccc(Br)cc2)C2=C1CCCC2=O ZINC000000067229 282657598 /nfs/dbraw/zinc/65/75/98/282657598.db2.gz TVYQUTVMCNDNOP-CQSZACIVSA-N 0 0 335.201 3.152 50 30 EGEARN C=CCNC(=O)CCc1c(C)c2cc3c(C)coc3cc2oc1=O ZINC000002096178 209818426 /nfs/dbraw/zinc/81/84/26/209818426.db2.gz AYILFXXOFAPMGE-UHFFFAOYSA-N 0 0 325.364 3.391 50 30 biogenic EGEARN N#Cc1c(N)nc2c(c1-c1cccc(O)c1)CN(c1ccccc1)CC2 ZINC000071771455 283077973 /nfs/dbraw/zinc/07/79/73/283077973.db2.gz PMGHUUMZBLMGJP-UHFFFAOYSA-N 0 0 342.402 3.471 50 30 EGEARN Oc1cc(N2CCCC2)ccc1/C=N\NC(=S)Nc1ccccc1 ZINC000036046862 213057713 /nfs/dbraw/zinc/05/77/13/213057713.db2.gz NSBLODSSWZWYCK-UYRXBGFRSA-N 0 0 340.452 3.313 50 30 EGEARN COc1cc(/C=N/N2C(=O)C[C@@H]2c2ccccc2)cc(OC)c1OC ZINC000071281873 215752075 /nfs/dbraw/zinc/75/20/75/215752075.db2.gz HFNMDEWOVJANIC-RVZJCZPVSA-N 0 0 340.379 3.020 50 30 EGEARN Cc1cc(O)ccc1-c1cc(-c2cnn(C)c2C2CC2)c(C#N)c(N)n1 ZINC000071762875 215817649 /nfs/dbraw/zinc/81/76/49/215817649.db2.gz VSLVRJGJUVQEGS-UHFFFAOYSA-N 0 0 345.406 3.494 50 30 EGEARN Cc1nc([C@@H]2CCCN(c3ncccc3C#N)C2)cc(N2CCCC2)n1 ZINC000072433170 216227497 /nfs/dbraw/zinc/22/74/97/216227497.db2.gz OTPWABBVZTVUFJ-QGZVFWFLSA-N 0 0 348.454 3.036 50 30 EGEARN N#Cc1cc2c(nc1N[C@H](c1ccccn1)[C@H]1C[C@H](O)C1)CCCC2 ZINC000223427049 241649142 /nfs/dbraw/zinc/64/91/42/241649142.db2.gz MPOHECKXQRJDHM-GMBSWORKSA-N 0 0 334.423 3.151 50 30 EGEARN CCOc1ccccc1/C=C1\Oc2c(ccc([O-])c2C[NH+](C)C)C1=O ZINC000020624575 212157512 /nfs/dbraw/zinc/15/75/12/212157512.db2.gz UIICRKQUAMJPCK-WQRHYEAKSA-N 0 0 339.391 3.469 50 30 EGEARN N#CCSc1nnc(NN=Cc2cccc(Cl)c2Cl)[nH]1 ZINC000020428993 212128347 /nfs/dbraw/zinc/12/83/47/212128347.db2.gz JCYOEZJJKRWHDU-GIDUJCDVSA-N 0 0 327.200 3.173 50 30 EGEARN CCc1ccccc1N1C[C@H](C(=O)Nc2ccccc2C#N)CC1=O ZINC000020371819 212123857 /nfs/dbraw/zinc/12/38/57/212123857.db2.gz JTTDQZDOLCAONY-MRXNPFEDSA-N 0 0 333.391 3.112 50 30 EGEARN CC1(C)C[C@](CCC#N)(C2N3CC4(C)CN2CC(C)(C3)C4)CCO1 ZINC000019331586 212016546 /nfs/dbraw/zinc/01/65/46/212016546.db2.gz HQKNMQSCTTUDNB-WYDVDPGPSA-N 0 0 331.504 3.239 50 30 biogenic EGEARN Cc1cccc(OCc2nc(C#N)c(N3C[C@@H](C)O[C@@H](C)C3)o2)c1 ZINC000016745626 211933369 /nfs/dbraw/zinc/93/33/69/211933369.db2.gz XSODRGURJJWSRS-OKILXGFUSA-N 0 0 327.384 3.047 50 30 EGEARN O=C(CC1=C(c2ccccc2)CCC1=O)N1CCC[C@@]2(CCOC2)C1 ZINC000091547089 218020224 /nfs/dbraw/zinc/02/02/24/218020224.db2.gz UIQKYHSQAGIRAM-OAQYLSRUSA-N 0 0 339.435 3.222 50 30 EGEARN COc1cccc(/C(C)=N/NS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000005093276 210388705 /nfs/dbraw/zinc/38/87/05/210388705.db2.gz IISDMATZIQMTLY-GZTJUZNOSA-N 0 0 338.816 3.051 50 30 EGEARN C#CCN1C(=O)S/C(=C\c2ccc(-c3ccc(C#N)cc3)o2)C1=O ZINC000005047359 210374699 /nfs/dbraw/zinc/37/46/99/210374699.db2.gz UFZQFTVORKHJRT-YBEGLDIGSA-N 0 0 334.356 3.488 50 30 EGEARN C(=N/n1cnnc1SCc1ccccc1)\c1ccc2c(c1)OCO2 ZINC000000147643 257928426 /nfs/dbraw/zinc/92/84/26/257928426.db2.gz TWFHHSFEUQQYFR-DJKKODMXSA-N 0 0 338.392 3.181 50 30 EGEARN CCCCSc1nnc(C(F)F)n1/N=C/c1cnn(C)c1C ZINC000008782501 258053745 /nfs/dbraw/zinc/05/37/45/258053745.db2.gz LIPJSDMQGYMJCT-CAOOACKPSA-N 0 0 328.392 3.032 50 30 EGEARN C=CCn1c(SC)nc2sc3c(c2c1=O)C[C@H](C(C)C)OC3 ZINC000000519872 275435230 /nfs/dbraw/zinc/43/52/30/275435230.db2.gz MODQMRGIDRRSDR-LLVKDONJSA-N 0 0 336.482 3.463 50 30 EGEARN C=CCOC(=O)C1C(C)=NC(=S)N[C@H]1c1ccc(C(C)C)cc1 ZINC000005012042 277873074 /nfs/dbraw/zinc/87/30/74/277873074.db2.gz NRTQYUICYSGNQR-INIZCTEOSA-N 0 0 330.453 3.332 50 30 EGEARN C[C@@H]1CN(c2c3c(c(C#N)c4nc5ccccc5n42)CCC3)C[C@H](C)O1 ZINC000013775363 278798649 /nfs/dbraw/zinc/79/86/49/278798649.db2.gz ODDCOAJSJSWGGF-OKILXGFUSA-N 0 0 346.434 3.461 50 30 EGEARN Cc1ccc(N/N=C2\Oc3ccc4c(C)cc(=O)oc4c3C2=O)cc1 ZINC000005730475 280859294 /nfs/dbraw/zinc/85/92/94/280859294.db2.gz QEBSPTWXVMIZHB-VZCXRCSSSA-N 0 0 334.331 3.411 50 30 EGEARN Cc1cccc(C)c1NC(=O)c1sc2nc(N)c(C#N)cc2c1N ZINC000039335098 281211400 /nfs/dbraw/zinc/21/14/00/281211400.db2.gz MVQDIABDLLJXTJ-UHFFFAOYSA-N 0 0 337.408 3.202 50 30 EGEARN COc1ccc([C@H]2CC(=O)[C@H](C(C)C)C(C#N)(C#N)C2(C#N)C#N)cc1 ZINC000000506223 295247236 /nfs/dbraw/zinc/24/72/36/295247236.db2.gz ISMQMIQHILILPT-AEFFLSMTSA-N 0 0 346.390 3.091 50 30 EGEARN COc1ccc(C=NN2C(=S)N=NC2c2ccc(OC)cc2)cc1 ZINC000239038703 455260364 /nfs/dbraw/zinc/26/03/64/455260364.db2.gz DRVVCGNBZDZICF-UHFFFAOYSA-N 0 0 340.408 3.133 50 30 EGEARN Cc1ccccc1OCc1nc(C#N)c(N2C[C@H](C)O[C@@H](C)C2)o1 ZINC000000108624 452510885 /nfs/dbraw/zinc/51/08/85/452510885.db2.gz QXUHKKVFLBLWAA-KBPBESRZSA-N 0 0 327.384 3.047 50 30 EGEARN C[C@@H]1CCc2c(C#N)c(NC(=O)CSc3nccn3C)sc2C1 ZINC000000158892 452524588 /nfs/dbraw/zinc/52/45/88/452524588.db2.gz UJXHJPRLXGCRSM-SNVBAGLBSA-N 0 0 346.481 3.209 50 30 EGEARN C=CCN(CC=C)C(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 ZINC000000293150 452554450 /nfs/dbraw/zinc/55/44/50/452554450.db2.gz NUTRHPAZWXAZKY-UHFFFAOYSA-N 0 0 346.386 3.301 50 30 EGEARN CC(C)(C)c1ccc(S(=O)(=O)N/N=C/c2cccc(F)c2)cc1 ZINC000000308063 452558584 /nfs/dbraw/zinc/55/85/84/452558584.db2.gz GTAPMKALXMLHQM-XDHOZWIPSA-N 0 0 334.416 3.436 50 30 EGEARN N#C[C@@H](Cc1cccnc1)C(=O)Nc1ccccc1Br ZINC000000419714 452585099 /nfs/dbraw/zinc/58/50/99/452585099.db2.gz LRYAVBUNBYKZQI-GFCCVEGCSA-N 0 0 330.185 3.165 50 30 EGEARN N#Cc1cc2[nH]c3ccccc3c2n(-c2ccc([N+](=O)[O-])cc2)c1=O ZINC000000447968 452594246 /nfs/dbraw/zinc/59/42/46/452594246.db2.gz RGQQFAFUXNUEMQ-UHFFFAOYSA-N 0 0 330.303 3.252 50 30 EGEARN COC(=O)C1=C(Nc2ccccc2)SC(=Cc2cccnc2)C1=O ZINC000000473026 452602765 /nfs/dbraw/zinc/60/27/65/452602765.db2.gz LSSYBFGSQFNPAU-GXDHUFHOSA-N 0 0 338.388 3.235 50 30 EGEARN C=CCN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(C#N)cc3)c2C)C1=O ZINC000000479353 452604387 /nfs/dbraw/zinc/60/43/87/452604387.db2.gz PEPNWBPALRDDNJ-WOJGMQOQSA-N 0 0 346.390 3.045 50 30 EGEARN COc1ccccc1CCn1c(N)c(C#N)c2nc3ccccc3nc21 ZINC000000503778 452608777 /nfs/dbraw/zinc/60/87/77/452608777.db2.gz MCODXNLQEZFFRX-UHFFFAOYSA-N 0 0 343.390 3.290 50 30 aggregator EGEARN CSc1nn2c(nc(C(F)(F)F)cc2C(F)(F)F)c1C#N ZINC000001039154 452642460 /nfs/dbraw/zinc/64/24/60/452642460.db2.gz VCKIBRTVNGRWOF-UHFFFAOYSA-N 0 0 326.225 3.360 50 30 EGEARN N#Cc1ccc(C(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)c(F)c1 ZINC000002888879 452733478 /nfs/dbraw/zinc/73/34/78/452733478.db2.gz PXBGGTPBCKFFKW-UHFFFAOYSA-N 0 0 342.311 3.468 50 30 EGEARN C[C@](O)(C#C[C@](O)(c1ccccc1)C(F)(F)F)c1ccc(F)cc1 ZINC000004334552 452799902 /nfs/dbraw/zinc/79/99/02/452799902.db2.gz DZVAPKOQXBBGKD-IRXDYDNUSA-N 0 0 338.300 3.487 50 30 EGEARN C=CCOC(=O)C1C(C)=Nc2ncnn2[C@H]1c1ccc(SC)cc1 ZINC000004716219 452814868 /nfs/dbraw/zinc/81/48/68/452814868.db2.gz PQBMBUPOEWRRHC-HNNXBMFYSA-N 0 0 342.424 3.018 50 30 EGEARN N=C(NOC(=O)c1ccccc1)c1ncc(C(F)(F)F)cc1Cl ZINC000005515637 452880346 /nfs/dbraw/zinc/88/03/46/452880346.db2.gz LYWMIBQQYREGDI-UHFFFAOYSA-N 0 0 343.692 3.231 50 30 EGEARN CCCC1N=NC(=S)N1N=Cc1ccccc1Br ZINC000006075965 452920277 /nfs/dbraw/zinc/92/02/77/452920277.db2.gz KWCCLXOVHBOCHD-RIYZIHGNSA-N 0 0 325.235 3.164 50 30 EGEARN C=C1CC[C@@H]2[C@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]1C/C=C1\C=COC1=O ZINC000006491329 452946252 /nfs/dbraw/zinc/94/62/52/452946252.db2.gz YIIRVUDGRKEWBV-FZOOCBFYSA-N 0 0 332.440 3.115 50 30 biogenic,in-vitro EGEARN N#Cc1cccnc1SCC(=O)Nc1ccccc1OC(F)F ZINC000007051663 453023042 /nfs/dbraw/zinc/02/30/42/453023042.db2.gz IKFWXBRCDHCGJI-UHFFFAOYSA-N 0 0 335.335 3.285 50 30 EGEARN NC1=C(c2nc(-c3ccc(Cl)cc3)cs2)C(=O)CN1C1CC1 ZINC000013730092 453486936 /nfs/dbraw/zinc/48/69/36/453486936.db2.gz XNTMCYUSFIDUDT-UHFFFAOYSA-N 0 0 331.828 3.138 50 30 EGEARN C#CCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2cccc(OC)c2)C1 ZINC000014095663 453505223 /nfs/dbraw/zinc/50/52/23/453505223.db2.gz VFMPUMBEFOXWRG-OAHLLOKOSA-N 0 0 345.402 3.199 50 30 EGEARN CC(=O)n1nc(C)c([N+](=O)[O-])c1C(F)(F)C(F)(F)C(F)(F)F ZINC000016158402 453597302 /nfs/dbraw/zinc/59/73/02/453597302.db2.gz AVTLQQBPSMBXTI-UHFFFAOYSA-N 0 0 337.151 3.049 50 30 EGEARN COc1ccc(C[C@@H]2S/C(=N\c3ccc(F)cc3)NC2=O)cc1 ZINC000018029978 453641067 /nfs/dbraw/zinc/64/10/67/453641067.db2.gz OCTRNRAGXWYDEH-HNNXBMFYSA-N 0 0 330.384 3.296 50 30 EGEARN CN(C)c1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3ncnn32)cc1 ZINC000018196001 453647878 /nfs/dbraw/zinc/64/78/78/453647878.db2.gz KIYUEVQLSILEJF-KRWDZBQOSA-N 0 0 337.427 3.002 50 30 EGEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccco1 ZINC000019203712 453655462 /nfs/dbraw/zinc/65/54/62/453655462.db2.gz WKOSWJZFFXTFHN-KRWDZBQOSA-N 0 0 329.396 3.447 50 30 EGEARN CC1(C)N=C(/C(Cl)=N\OC(=O)c2ccc(F)cc2)C(C)(C)N1O ZINC000019891415 453659682 /nfs/dbraw/zinc/65/96/82/453659682.db2.gz MWRPOXLCTVCAEP-XDHOZWIPSA-N 0 0 341.770 3.195 50 30 EGEARN N#Cc1c(N)nc2c(c1N)[C@@H](c1ccccc1)c1ccc(O)cc1O2 ZINC000019933182 453660422 /nfs/dbraw/zinc/66/04/22/453660422.db2.gz XMRBLOXLWFQYBB-HNNXBMFYSA-N 0 0 330.347 3.109 50 30 EGEARN CN(C)/C=C(\C(=O)C(F)(F)F)c1onc(-c2ccccc2)c1C#N ZINC000029764049 453831297 /nfs/dbraw/zinc/83/12/97/453831297.db2.gz CGEIJOWKMGDJBO-XFXZXTDPSA-N 0 0 335.285 3.247 50 30 EGEARN C=CCNS(=O)(=O)c1cc(C)c(Br)cc1C(C)C ZINC000036638836 453929555 /nfs/dbraw/zinc/92/95/55/453929555.db2.gz RYQSZZPTDVRBOZ-UHFFFAOYSA-N 0 0 332.263 3.345 50 30 EGEARN C=C(C)Cn1nc(SC)n2c1nc1sc3c(c1c2=O)CCCC3 ZINC000040267695 453949117 /nfs/dbraw/zinc/94/91/17/453949117.db2.gz AODORXWPSGIJSY-UHFFFAOYSA-N 0 0 346.481 3.283 50 30 EGEARN COc1ccc(C(=O)C=CNc2ccc3c(c2)OCCO3)cc1OC ZINC000044843600 454121880 /nfs/dbraw/zinc/12/18/80/454121880.db2.gz UBPGQDXYZIYSHK-BQYQJAHWSA-N 0 0 341.363 3.284 50 30 EGEARN Cc1c(-c2cnn(C)c2)nc(N)c(C#N)c1-c1ccc2[nH]ccc2c1 ZINC000071753787 454214280 /nfs/dbraw/zinc/21/42/80/454214280.db2.gz VCSIRYSGILHOBG-UHFFFAOYSA-N 0 0 328.379 3.393 50 30 EGEARN Cc1ccccc1-n1cc(-c2cc([C@@H]3CCOC3)c(C#N)c(N)n2)cn1 ZINC000071753844 454214485 /nfs/dbraw/zinc/21/44/85/454214485.db2.gz UVCLBGHGUJIULG-CQSZACIVSA-N 0 0 345.406 3.201 50 30 EGEARN Cc1ccc(NC(=O)N2CCC(O)(c3ccccc3)CC2)cc1C#N ZINC000096149017 454293278 /nfs/dbraw/zinc/29/32/78/454293278.db2.gz NQWZLIIETZYWHQ-UHFFFAOYSA-N 0 0 335.407 3.382 50 30 EGEARN CC(=O)C(N=Nc1ccccc1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000096319114 454319202 /nfs/dbraw/zinc/31/92/02/454319202.db2.gz AEFBZVQDUUIDJG-VZFXBBDVSA-N 0 0 337.423 3.117 50 30 EGEARN CC1=C(C(=O)OC(C)C)[C@@H](c2cccc(O)c2)C2=C(CCCC2=O)N1 ZINC000100433490 454465655 /nfs/dbraw/zinc/46/56/55/454465655.db2.gz XUWVOUIJQDCKQK-GOSISDBHSA-N 0 0 341.407 3.312 50 30 EGEARN C#CCn1c2c(cccc2F)s/c1=N\C(=O)c1ccc(F)cc1 ZINC000100877826 454467975 /nfs/dbraw/zinc/46/79/75/454467975.db2.gz JFMSLBPBIDBLLX-JZJYNLBNSA-N 0 0 328.343 3.355 50 30 EGEARN C#CCn1c2c(cccc2OC)s/c1=N\C(=O)c1cccc(C)c1 ZINC000100909833 454468418 /nfs/dbraw/zinc/46/84/18/454468418.db2.gz MFBONNBNAKLECR-VXPUYCOJSA-N 0 0 336.416 3.394 50 30 EGEARN CC(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccccc1Cl ZINC000101153015 454469527 /nfs/dbraw/zinc/46/95/27/454469527.db2.gz SKFGOTGSZHLBBM-SFKKXYGYSA-N 0 0 342.782 3.220 50 30 EGEARN C=CCc1cc(-c2c(C#N)c(N)nc3c2N2CCC3CC2)ccc1O ZINC000101329825 454470245 /nfs/dbraw/zinc/47/02/45/454470245.db2.gz SXQCGMYXZNHRAT-UHFFFAOYSA-N 0 0 332.407 3.334 50 30 EGEARN O=S(=O)(O[C@@H]1CC[C@@H]2CC[C@@H]21)c1ccc(Br)cc1 ZINC000104949365 454613127 /nfs/dbraw/zinc/61/31/27/454613127.db2.gz ICMSWNALDAFPPO-TVYUQYBPSA-N 0 0 331.231 3.343 50 30 EGEARN C[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@H]2[C@H](O)C[C@]3(C)[C@H](CC[C@]3(C)O)[C@@H]12 ZINC000257358324 455897545 /nfs/dbraw/zinc/89/75/45/455897545.db2.gz SUKMOMANEUHOTO-CAKCKSRASA-N 0 0 332.484 3.486 50 30 EGEARN COc1ccc(NC(=O)N(C)[C@H](C)Cc2ncccc2C)cc1C#N ZINC000426599766 457860557 /nfs/dbraw/zinc/86/05/57/457860557.db2.gz PWORCKZHIHQQEC-CQSZACIVSA-N 0 0 338.411 3.365 50 30 EGEARN COCCOc1ccc(C(=O)/C=C/c2cc(OC)ns2)cc1OC ZINC000585136249 459828639 /nfs/dbraw/zinc/82/86/39/459828639.db2.gz XTBQPGMZSRAMNK-AATRIKPKSA-N 0 0 349.408 3.082 50 30 EGEARN N#Cc1ccnc(O[C@@H]2CCCN(C(=O)c3ccc4cc[nH]c4c3)C2)c1 ZINC000575612731 459982190 /nfs/dbraw/zinc/98/21/90/459982190.db2.gz LWIPLAPIFHOTND-QGZVFWFLSA-N 0 0 346.390 3.118 50 30 EGEARN C=CCN(Cc1cccc(OC)c1)C(=O)c1cc(CCC)nn1C ZINC000055392986 518784775 /nfs/dbraw/zinc/78/47/75/518784775.db2.gz SXOJUCVXLGTUQL-UHFFFAOYSA-N 0 0 327.428 3.210 50 30 EGEARN C=CCOc1ccc(C(=O)NCc2nc(-c3ccccc3)no2)cc1 ZINC000004868509 519026809 /nfs/dbraw/zinc/02/68/09/519026809.db2.gz JMYHKWTWQYXPFV-UHFFFAOYSA-N 0 0 335.363 3.231 50 30 EGEARN C=CCc1cc(C)ccc1OCCOCCN1C[C@@H](C)O[C@H](C)C1 ZINC000020167265 519129031 /nfs/dbraw/zinc/12/90/31/519129031.db2.gz PIPKRWKAGGDCBT-QZTJIDSGSA-N 0 0 333.472 3.228 50 30 EGEARN C[NH+](C)[C@H](C/N=C(\[O-])c1cc2ccccc2oc1=O)c1cccs1 ZINC000028291408 522069599 /nfs/dbraw/zinc/06/95/99/522069599.db2.gz OBXVKCVZDTWGHN-CQSZACIVSA-N 0 0 342.420 3.462 50 30 EGEARN COCc1cc(C)nc(N=NCc2ccc(C)c([N+](=O)[O-])c2)c1C#N ZINC000031844623 522917126 /nfs/dbraw/zinc/91/71/26/522917126.db2.gz UWSWZZLARFHVSY-OCKHKDLRSA-N 0 0 339.355 3.071 50 30 EGEARN COc1ccc(NC[C@H](C#N)C(=O)NCc2ccc(Cl)cc2)cc1 ZINC000004054250 524678704 /nfs/dbraw/zinc/67/87/04/524678704.db2.gz AYJPJHUNIUMUIK-AWEZNQCLSA-N 0 0 343.814 3.217 50 30 EGEARN COc1ccc2[nH]cc(C[C@@H](C#N)C(=O)NCCc3ccccc3)c2c1 ZINC000049547453 525494164 /nfs/dbraw/zinc/49/41/64/525494164.db2.gz ISDZXIHXINBWTH-INIZCTEOSA-N 0 0 347.418 3.218 50 30 biogenic EGEARN CSc1nncn1/N=C/c1ccc(COc2ccccc2C)o1 ZINC000036611325 526229345 /nfs/dbraw/zinc/22/93/45/526229345.db2.gz MATFYGZENLGCCT-GIJQJNRQSA-N 0 0 328.397 3.363 50 30 EGEARN Cc1cc(N2C[C@H](c3nnc(C(C)C)[nH]3)[C@@H](C3CC3)C2)c(C#N)cn1 ZINC000685940476 550456265 /nfs/dbraw/zinc/45/62/65/550456265.db2.gz BOVMGROBQSOJMJ-CVEARBPZSA-N 0 0 336.443 3.133 50 30 EGEARN C[C@H](O)c1nc2cc(-n3ccnc3-c3cccc(C#N)c3)ccc2n1C ZINC001772812954 1441417492 /nfs/dbraw/zinc/41/74/92/1441417492.db2.gz RXIQFFWUGTVJHF-ZDUSSCGKSA-N 0 0 343.390 3.351 50 30 EGEARN C[C@@H](O)c1nc2cc(-n3ccnc3-c3cccc(C#N)c3)ccc2n1C ZINC001772812952 1441417605 /nfs/dbraw/zinc/41/76/05/1441417605.db2.gz RXIQFFWUGTVJHF-CYBMUJFWSA-N 0 0 343.390 3.351 50 30 EGEARN C=CCOc1cccc(CN(CC)C(=O)c2cnc(CC)nc2)c1 ZINC000055383766 214314652 /nfs/dbraw/zinc/31/46/52/214314652.db2.gz CCWYQSASCJNCLF-UHFFFAOYSA-N 0 0 325.412 3.266 50 30 EGEARN O=S(OCC(Cl)(Cl)Cl)OCC(Cl)(Cl)Cl ZINC000004683033 210246909 /nfs/dbraw/zinc/24/69/09/210246909.db2.gz UPLUJYOFSVMSOR-UHFFFAOYSA-N 0 0 344.858 3.339 50 30 EGEARN Cc1c(/N=C/c2nc3ccccc3[nH]2)c(=O)n(-c2ccccc2)n1C ZINC000100026873 219089315 /nfs/dbraw/zinc/08/93/15/219089315.db2.gz DGPISMKSVMXLQS-UDWIEESQSA-N 0 0 331.379 3.111 50 30 EGEARN CCOc1ccccc1-n1nnc(C(=O)Nc2ccccc2C#N)c1C ZINC000004393778 210186996 /nfs/dbraw/zinc/18/69/96/210186996.db2.gz ZZFGTYMSXHKUCG-UHFFFAOYSA-N 0 0 347.378 3.098 50 30 EGEARN COc1ccc(N2C(=O)C=C(c3ccc(F)cc3)C2/C=N/O)cc1 ZINC000100918681 219111275 /nfs/dbraw/zinc/11/12/75/219111275.db2.gz VTMLBBUGMXWNSA-PBGVMVHZSA-N 0 0 326.327 3.093 50 30 EGEARN C=CCn1c(SCC(C)=O)nc2sc3c(c2c1=O)CC[C@H](C)C3 ZINC000004284156 210161611 /nfs/dbraw/zinc/16/16/11/210161611.db2.gz OFYXTZMLNNTZJV-JTQLQIEISA-N 0 0 348.493 3.450 50 30 EGEARN CC(=C1C(=O)c2ccccc2C1=O)N1CCN(Cc2ccccc2)CC1 ZINC000004278505 210159735 /nfs/dbraw/zinc/15/97/35/210159735.db2.gz KXCUORFRYALYLF-UHFFFAOYSA-N 0 0 346.430 3.157 50 30 EGEARN Nc1c(-c2nc3ccccc3s2)c(O)cn1N=Cc1cccnc1 ZINC000102734665 219226208 /nfs/dbraw/zinc/22/62/08/219226208.db2.gz NHWKUADYVUHULU-ZMHJNSJFSA-N 0 0 335.392 3.287 50 30 EGEARN CCCn1cc(-c2cc(-c3ccc(O)cc3)nc(N)c2C#N)c(C)n1 ZINC000067847611 215230315 /nfs/dbraw/zinc/23/03/15/215230315.db2.gz RMGSSGJYKFXCRJ-UHFFFAOYSA-N 0 0 333.395 3.490 50 30 EGEARN N#Cc1ccccc1NC(=O)Nc1ccc(CN2CCOCC2)cc1 ZINC000020428732 212128323 /nfs/dbraw/zinc/12/83/23/212128323.db2.gz OWWYDMQWUOYQRH-UHFFFAOYSA-N 0 0 336.395 3.034 50 30 EGEARN C=CCSc1nc2cc(-c3cccc(OC)c3)sc2c(=O)n1N ZINC000019797138 212070204 /nfs/dbraw/zinc/07/02/04/212070204.db2.gz VSUNJOULGRAYIB-UHFFFAOYSA-N 0 0 345.449 3.126 50 30 EGEARN N#Cc1cccc(C(=O)N2CCC([C@H](O)Cc3ccccc3)CC2)c1 ZINC000019772092 212064955 /nfs/dbraw/zinc/06/49/55/212064955.db2.gz ZJZDSBFYEFAWQX-HXUWFJFHSA-N 0 0 334.419 3.014 50 30 EGEARN C#CCN1C(=O)S/C(=C\c2ccc(OCC)cc2OCC)C1=O ZINC000013939690 211657725 /nfs/dbraw/zinc/65/77/25/211657725.db2.gz RNGSWLAQGKKJQC-GDNBJRDFSA-N 0 0 331.393 3.154 50 30 EGEARN N#Cc1ccc(OC2CCN(C(=O)/C=C/c3cccs3)CC2)nc1 ZINC000090607616 217944499 /nfs/dbraw/zinc/94/44/99/217944499.db2.gz QZLBRZWQVCLHTJ-GQCTYLIASA-N 0 0 339.420 3.098 50 30 EGEARN C=CCNc1ncnc2sc(C(=O)N(CC=C)CC=C)c(C)c21 ZINC000012037982 211283496 /nfs/dbraw/zinc/28/34/96/211283496.db2.gz LJQGEQUIUMVOKD-UHFFFAOYSA-N 0 0 328.441 3.412 50 30 EGEARN Cc1ccc(C#N)c(N2CC[C@@]3(C2)CCCN(C2CCCC2)C3=O)n1 ZINC000091780287 218065342 /nfs/dbraw/zinc/06/53/42/218065342.db2.gz WYXGBDOLDQNFCC-HXUWFJFHSA-N 0 0 338.455 3.023 50 30 EGEARN O=C1CCCC2=Nc3nnnn3[C@@H](c3ccc(-c4ccccc4)cc3)C12 ZINC000018196039 296317021 /nfs/dbraw/zinc/31/70/21/296317021.db2.gz QUHREFRMHLPRNX-IBGZPJMESA-N 0 0 343.390 3.362 50 30 EGEARN C=CCSc1nc2c(c(=O)[nH]1)[C@H](c1cccc(Cl)c1)CC(=O)N2 ZINC000004944237 210333977 /nfs/dbraw/zinc/33/39/77/210333977.db2.gz UUXNPLBVTYKDHK-NSHDSACASA-N 0 0 347.827 3.176 50 30 EGEARN N#Cc1cccnc1SCC(=O)Nc1ccccc1Br ZINC000007051622 208575866 /nfs/dbraw/zinc/57/58/66/208575866.db2.gz DPAFPHISVDZNTI-UHFFFAOYSA-N 0 0 348.225 3.447 50 30 EGEARN C=CCOc1ccc(C(=O)NCCc2ccc(OC)c(OC)c2)cc1 ZINC000004841299 210296314 /nfs/dbraw/zinc/29/63/14/210296314.db2.gz ZDWYEJCGKROJOW-UHFFFAOYSA-N 0 0 341.407 3.241 50 30 EGEARN COC(=O)c1c(/N=C/c2cc(C)ccc2O)sc2c1CCN(C)C2 ZINC000004811497 210283880 /nfs/dbraw/zinc/28/38/80/210283880.db2.gz WGGRSGCMCNLCFM-DJKKODMXSA-N 0 0 344.436 3.287 50 30 EGEARN CCOC(=O)c1sc(NC(=O)c2ccc(F)cc2)c(C#N)c1C ZINC000003554819 257868770 /nfs/dbraw/zinc/86/87/70/257868770.db2.gz DTUPDGVTUIQETI-UHFFFAOYSA-N 0 0 332.356 3.496 50 30 EGEARN CC(=O)N[C@@H]1C(=O)C[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000253498259 257999002 /nfs/dbraw/zinc/99/90/02/257999002.db2.gz IGQWGSCTFRUHTN-QWLXMNPYSA-N 0 0 343.467 3.202 50 30 EGEARN Cc1ccc(S(=O)(=O)c2oc(-c3ccccc3F)nc2C#N)cc1 ZINC000334161867 258016113 /nfs/dbraw/zinc/01/61/13/258016113.db2.gz GNKLBGYPDVRBEP-UHFFFAOYSA-N 0 0 342.351 3.494 50 30 EGEARN C[C@@]12CC[C@@H]3[C@H](CCC4=CC(=O)C=C[C@@]43C)[C@H]1CC[C@H]2C(=O)CO ZINC000257346378 258073669 /nfs/dbraw/zinc/07/36/69/258073669.db2.gz ZDYFFPNLCUDFDB-HCNLZUIDSA-N 0 0 328.452 3.472 50 30 EGEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccncc1 ZINC000019314779 285669975 /nfs/dbraw/zinc/66/99/75/285669975.db2.gz RJYBOKZBEUQUPG-KRWDZBQOSA-N 0 0 340.423 3.249 50 30 EGEARN CN1C(=O)C[C@@H](C(=O)Nc2ccccc2)S/C1=N\c1ccccc1 ZINC000004897708 277011126 /nfs/dbraw/zinc/01/11/26/277011126.db2.gz SHRXNGRLVPMQQC-ZJYNUGOYSA-N 0 0 339.420 3.277 50 30 EGEARN Cc1cc2c(cc1-c1cc(-c3cc[nH]c3)nc(N)c1C#N)OCCO2 ZINC000071767522 280671798 /nfs/dbraw/zinc/67/17/98/280671798.db2.gz ATNFEQQLLAZWPP-UHFFFAOYSA-N 0 0 332.363 3.277 50 30 EGEARN CN1C(=O)C[C@@H](c2ccccc2[N+](=O)[O-])C2=C1CC(C)(C)CC2=O ZINC000003171975 289830103 /nfs/dbraw/zinc/83/01/03/289830103.db2.gz VLSXZLFDUSFVKO-LBPRGKRZSA-N 0 0 328.368 3.184 50 30 EGEARN COc1ccc([C@H]2CC(=O)[C@@H](C(C)C)C(C#N)(C#N)C2(C#N)C#N)cc1 ZINC000000506224 295247208 /nfs/dbraw/zinc/24/72/08/295247208.db2.gz ISMQMIQHILILPT-SJLPKXTDSA-N 0 0 346.390 3.091 50 30 EGEARN COc1ccc([C@H]2NC3=C(CCCC3)C(C#N)(C#N)C2(C#N)C#N)cc1 ZINC000000537499 295250950 /nfs/dbraw/zinc/25/09/50/295250950.db2.gz TZHQIPKHYTZMJO-GOSISDBHSA-N 0 0 343.390 3.235 50 30 EGEARN N#Cc1ccc(N2CCC[C@@H]2[C@H](O)C(F)(F)F)cc1C(F)(F)F ZINC000043206557 454047898 /nfs/dbraw/zinc/04/78/98/454047898.db2.gz OPSIVAKKLQRWKC-NEPJUHHUSA-N 0 0 338.251 3.469 50 30 EGEARN Cc1nc([C@H]2C[C@@H](O)C2)cc(N2CCC(C#N)(c3ccccc3)CC2)n1 ZINC000244659776 455275984 /nfs/dbraw/zinc/27/59/84/455275984.db2.gz HIMKOUMTEBDCME-MAEOIBBWSA-N 0 0 348.450 3.085 50 30 EGEARN C[C@H](NC(=O)CN1CCC(C#N)(c2ccccc2)CC1)c1ccccc1 ZINC000244646939 455276067 /nfs/dbraw/zinc/27/60/67/455276067.db2.gz GSBYCRCBBYWCPQ-SFHVURJKSA-N 0 0 347.462 3.421 50 30 EGEARN N#Cc1cn(CC(=O)NCCc2c[nH]c3ccccc23)c2ccccc12 ZINC000000029027 452492429 /nfs/dbraw/zinc/49/24/29/452492429.db2.gz PZRZOAZHORPBAJ-UHFFFAOYSA-N 0 0 342.402 3.353 50 30 biogenic,in-vitro EGEARN CCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccc(Cl)cc1 ZINC000000196624 452533040 /nfs/dbraw/zinc/53/30/40/452533040.db2.gz NAOZUHXAJDKWOV-CQSZACIVSA-N 0 0 347.798 3.194 50 30 EGEARN CCOc1ccccc1[C@H]1C2C(=O)CC(C)(C)CC2=Nc2ncnn21 ZINC000000222546 452541370 /nfs/dbraw/zinc/54/13/70/452541370.db2.gz IYSJXYJCMTXCBA-KRWDZBQOSA-N 0 0 338.411 3.335 50 30 EGEARN COC(=O)[C@H]1C(=O)C=C(OC(=O)c2ccc(Cl)cc2)CC1(C)C ZINC000000336469 452566397 /nfs/dbraw/zinc/56/63/97/452566397.db2.gz PJZMVHSZMPAZGO-CQSZACIVSA-N 0 0 336.771 3.169 50 30 EGEARN C=CCN1C(=O)/C(=C/c2ccc(Br)o2)SC1=S ZINC000001083660 452644784 /nfs/dbraw/zinc/64/47/84/452644784.db2.gz SNVFRDZNVBEYKO-VURMDHGXSA-N 0 0 330.228 3.429 50 30 EGEARN CCOc1cccc(/C=N/c2sc3c(c2C#N)CCN(C)C3)c1O ZINC000001306048 452653397 /nfs/dbraw/zinc/65/33/97/452653397.db2.gz XXJMVSKJVGJFGQ-KEBDBYFISA-N 0 0 341.436 3.463 50 30 EGEARN COc1cc(/C=N/c2sc3c(c2C(N)=O)CCCC3)ccc1O ZINC000003069112 452741712 /nfs/dbraw/zinc/74/17/12/452741712.db2.gz PYUGWIZEBANDNV-DJKKODMXSA-N 0 0 330.409 3.191 50 30 EGEARN COc1ccc2[nH]c3c(nc(C)n(/N=C/c4ccc(C)cc4)c3=O)c2c1 ZINC000004828224 452819951 /nfs/dbraw/zinc/81/99/51/452819951.db2.gz GHWONJSDYJWPOJ-SRZZPIQSSA-N 0 0 346.390 3.385 50 30 EGEARN COc1cccc2c1CCC/C2=N\OS(=O)(=O)c1ccc(C)cc1 ZINC000005342122 452860590 /nfs/dbraw/zinc/86/05/90/452860590.db2.gz OXYFQOOUOGRSNM-HTXNQAPBSA-N 0 0 345.420 3.450 50 30 EGEARN CCc1ccc(C[C@@H]2S/C(=N/N=C/c3cccs3)NC2=O)cc1 ZINC000006555769 452954427 /nfs/dbraw/zinc/95/44/27/452954427.db2.gz PENCTNJKHOJIGG-LZNAANCOSA-N 0 0 343.477 3.475 50 30 EGEARN Cc1ccc(N2C[C@@H](C(=O)Nc3ccccc3C#N)CC2=O)cc1C ZINC000008265538 453183938 /nfs/dbraw/zinc/18/39/38/453183938.db2.gz VZBBFTNRCKFZOL-INIZCTEOSA-N 0 0 333.391 3.167 50 30 EGEARN O=[N+]([O-])c1ccccc1C=CC=NN1C(=S)N=NC1c1ccco1 ZINC000013522146 453466482 /nfs/dbraw/zinc/46/64/82/453466482.db2.gz MDTIRXOYFKDTLV-KJWHQMAJSA-N 0 0 341.352 3.282 50 30 EGEARN COc1cc(/C=C2\C(=O)ON=C2c2ccccc2)cc(Cl)c1O ZINC000013496820 453468287 /nfs/dbraw/zinc/46/82/87/453468287.db2.gz YLHPIBGTWWOHJL-GHXNOFRVSA-N 0 0 329.739 3.399 50 30 EGEARN C[C@@H]1C[C@@H]1c1ccc(/C=C2\C(=O)c3ccccc3S(=O)(=O)N2C)o1 ZINC000013655845 453479070 /nfs/dbraw/zinc/47/90/70/453479070.db2.gz WTSMIYHHQIFZKW-CUUNMWDPSA-N 0 0 343.404 3.261 50 30 EGEARN N#Cc1c(N)nc2c(c1N)[C@H](c1ccccc1)c1ccc(O)cc1O2 ZINC000019933179 453660516 /nfs/dbraw/zinc/66/05/16/453660516.db2.gz XMRBLOXLWFQYBB-OAHLLOKOSA-N 0 0 330.347 3.109 50 30 EGEARN C=CCN[C@H](NC(=O)/C=C/c1ccccc1)C(Cl)(Cl)Cl ZINC000024061595 453723973 /nfs/dbraw/zinc/72/39/73/453723973.db2.gz ICRWHEGZPYJNTF-MMQHEFTJSA-N 0 0 333.646 3.288 50 30 EGEARN CC1(C)CC(=O)C(=C(/C=C/N2CCOCC2)c2ccccc2)C(=O)C1 ZINC000025665145 453782504 /nfs/dbraw/zinc/78/25/04/453782504.db2.gz VEHUPPHGDRUBJS-CMDGGOBGSA-N 0 0 339.435 3.244 50 30 EGEARN N#Cc1cccnc1N1CCC[C@](CO)(Cc2ccc(F)cc2F)C1 ZINC000067541012 453941104 /nfs/dbraw/zinc/94/11/04/453941104.db2.gz CRROJHHVDPFORL-IBGZPJMESA-N 0 0 343.377 3.053 50 30 EGEARN CCCCCCCCCCCC(=O)CC(=O)N[C@@H]1CCOC1=O ZINC000042804658 454026712 /nfs/dbraw/zinc/02/67/12/454026712.db2.gz YQFJJDSGBAAUPW-MRXNPFEDSA-N 0 0 325.449 3.298 50 30 EGEARN Cc1nc2cc(-n3ccnc3-c3ccc(C#CCCO)cc3)ccc2[nH]1 ZINC000071551869 454209318 /nfs/dbraw/zinc/20/93/18/454209318.db2.gz KDGRIGIROIAFKZ-UHFFFAOYSA-N 0 0 342.402 3.458 50 30 EGEARN COc1ccc2[nH]nc(-c3cc(-c4ccc[nH]4)nc(N)c3C#N)c2c1 ZINC000071736377 454211818 /nfs/dbraw/zinc/21/18/18/454211818.db2.gz VWCJNWSRKJKRKL-UHFFFAOYSA-N 0 0 330.351 3.082 50 30 EGEARN C=C[C@@](C)(C=O)C[C@@H]1O[C@@H](C#N)[C@@]23C(=O)CC[C@@H]2CC[C@@H](C)[C@@]13C ZINC000071786307 454218553 /nfs/dbraw/zinc/21/85/53/454218553.db2.gz BWHCUUHAFYWNOR-DHGLPVBRSA-N 0 0 329.440 3.460 50 30 EGEARN Cc1cc(C)n2ncc(CN3CCC(C#N)(c4ccccc4)CC3)c2n1 ZINC000215930612 456027316 /nfs/dbraw/zinc/02/73/16/456027316.db2.gz JRPGQFFIUQNEPG-UHFFFAOYSA-N 0 0 345.450 3.404 50 30 EGEARN CCn1c(C)cc(CN=Nc2ncc(F)c(N3CCCC3)n2)c1C ZINC000226095013 456107438 /nfs/dbraw/zinc/10/74/38/456107438.db2.gz SASQOXUPQOHPQX-JMIUGGIZSA-N 0 0 330.411 3.100 50 30 EGEARN CC1(C)CC(=O)C2=C(C1)OC(=O)C[C@@H]2c1coc2ccccc2c1=O ZINC000524731027 459384475 /nfs/dbraw/zinc/38/44/75/459384475.db2.gz HNEMUVMXEQXOSU-GFCCVEGCSA-N 0 0 338.359 3.467 50 30 biogenic EGEARN Cc1csc(CNC(=O)CC2=C(c3ccccc3)CCC2=O)n1 ZINC000584893212 459819885 /nfs/dbraw/zinc/81/98/85/459819885.db2.gz TUOTXDSHZQWVSS-UHFFFAOYSA-N 0 0 326.421 3.275 50 30 EGEARN C=C(C)COc1cccc(C(=O)NCCc2[nH]nc3c2CCCC3)c1 ZINC000055404559 518618745 /nfs/dbraw/zinc/61/87/45/518618745.db2.gz TWIBDZNKACEIBS-UHFFFAOYSA-N 0 0 339.439 3.216 50 30 EGEARN C=C(C)COc1cccc(NC(=O)N(C)CCc2noc(C)n2)c1 ZINC000286971792 518621321 /nfs/dbraw/zinc/62/13/21/518621321.db2.gz KTKDZIQWWLFBLV-UHFFFAOYSA-N 0 0 330.388 3.039 50 30 EGEARN C=CCc1ccc(OCCn2cnc3ccccc3c2=O)c(OC)c1 ZINC000000614277 519139095 /nfs/dbraw/zinc/13/90/95/519139095.db2.gz PJDNRECWFKEKQV-UHFFFAOYSA-N 0 0 336.391 3.213 50 30 EGEARN CCCCCCCCCCCC(=O)CC(=O)N[C@H]1CCOC1=O ZINC000038146043 519982416 /nfs/dbraw/zinc/98/24/16/519982416.db2.gz YQFJJDSGBAAUPW-INIZCTEOSA-N 0 0 325.449 3.298 50 30 in-vitro EGEARN CN(C)c1ccnc(-n2cccc2/C=N/OCc2ccccc2)c1C#N ZINC000020218985 522299935 /nfs/dbraw/zinc/29/99/35/522299935.db2.gz NGYJEQSGNYFJIF-OEAKJJBVSA-N 0 0 345.406 3.361 50 30 EGEARN N=C(NOC(=O)c1ccccc1CCc1ccccc1)c1cccnc1 ZINC000004806195 526810033 /nfs/dbraw/zinc/81/00/33/526810033.db2.gz NPJGUKSKHBTTET-UHFFFAOYSA-N 0 0 345.402 3.344 50 30 EGEARN CCOc1cc(/C=N/O)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 ZINC000000451591 1291019566 /nfs/dbraw/zinc/01/95/66/1291019566.db2.gz ZMMREZIOCXQVEO-LICLKQGHSA-N 0 0 330.296 3.021 50 30 EGEARN C=C(C)COc1ccc(NC(=O)C2CCN(C(=O)CC)CC2)cc1 ZINC000952990930 1334632035 /nfs/dbraw/zinc/63/20/35/1334632035.db2.gz NAQYNGUFXBPWSV-UHFFFAOYSA-N 0 0 330.428 3.229 50 30 EGEARN COC(=O)C(=CNC1CC1)C(=O)c1cc(F)c(Cl)cc1Cl ZINC000100038119 219089299 /nfs/dbraw/zinc/08/92/99/219089299.db2.gz YCDBNUJZSAFBIY-TWGQIWQCSA-N 0 0 332.158 3.124 50 30 EGEARN COc1cc([C@H]2CC(=O)NC3=C2C(=O)CC(C)(C)C3)cc(Cl)c1O ZINC000004488870 210202586 /nfs/dbraw/zinc/20/25/86/210202586.db2.gz ROKHFNYOTVOAOB-SNVBAGLBSA-N 0 0 349.814 3.301 50 30 EGEARN O=C1C[C@@H](c2ccco2)CC2=Nc3ncnn3[C@@H](c3ccccc3)C12 ZINC000004435928 210192181 /nfs/dbraw/zinc/19/21/81/210192181.db2.gz XHIGTUVIKQAZIQ-UGSOOPFHSA-N 0 0 332.363 3.287 50 30 EGEARN N#Cc1cc(Cl)nc(Sc2n[nH]c(=O)n2-c2ccccc2)c1 ZINC000004289309 210162629 /nfs/dbraw/zinc/16/26/29/210162629.db2.gz YNCVITOOWLOZPP-UHFFFAOYSA-N 0 0 329.772 3.044 50 30 EGEARN C=CCOc1ccc(/C=C2\NC(=S)N(CCC)C2=O)cc1OCC ZINC000003662827 210071943 /nfs/dbraw/zinc/07/19/43/210071943.db2.gz IPSYMXYRPISJDU-KAMYIIQDSA-N 0 0 346.452 3.118 50 30 EGEARN C=CCSc1nc(N)c(C#N)c(-c2ccc(N(C)C)cc2)c1C#N ZINC000067257856 215128135 /nfs/dbraw/zinc/12/81/35/215128135.db2.gz SZRQZYULYLZTDI-UHFFFAOYSA-N 0 0 335.436 3.418 50 30 EGEARN Cc1ccc(C#N)c(N2Cc3cnn(Cc4ccc(F)cc4)c3C2)n1 ZINC000067457871 215148038 /nfs/dbraw/zinc/14/80/38/215148038.db2.gz CIVLBYIEJFNRGW-UHFFFAOYSA-N 0 0 333.370 3.166 50 30 EGEARN CCOc1ccc(C=NNC2=NC(=O)[C@@H](c3ccccc3)S2)cc1 ZINC000001415584 209743568 /nfs/dbraw/zinc/74/35/68/209743568.db2.gz VKMMORJHOTWKBY-PUMYGXPMSA-N 0 0 339.420 3.380 50 30 EGEARN Cc1ccc(-c2nc(SCC(N)=O)c(C#N)c3c2CCCC3)cc1 ZINC000000520983 209645414 /nfs/dbraw/zinc/64/54/14/209645414.db2.gz HRFTVDVJYCOLES-UHFFFAOYSA-N 0 0 337.448 3.385 50 30 EGEARN COc1ccc(-c2cc(-c3cn(C)nc3C)nc(N)c2C#N)c(C)c1 ZINC000071764212 215819180 /nfs/dbraw/zinc/81/91/80/215819180.db2.gz ZDSCAUYHKWATGR-UHFFFAOYSA-N 0 0 333.395 3.228 50 30 EGEARN Cc1ccnc(SCC(=O)Nc2sc3c(c2C#N)CCCC3)n1 ZINC000000419503 209581778 /nfs/dbraw/zinc/58/17/78/209581778.db2.gz JEZSJYMVVWXKKF-UHFFFAOYSA-N 0 0 344.465 3.328 50 30 EGEARN O=C1c2cccc3cccc(c32)C(=O)N1/N=C/c1ccccc1[N+](=O)[O-] ZINC000000059226 209394867 /nfs/dbraw/zinc/39/48/67/209394867.db2.gz ZSYXGTIQESLADH-RGVLZGJSSA-N 0 0 345.314 3.378 50 30 EGEARN O=C([C@H](c1ccccc1F)N1CC[C@H]2SC(=O)C=C2C1)C1CC1 ZINC000040442722 296090945 /nfs/dbraw/zinc/09/09/45/296090945.db2.gz MJAMUSZUMAHFLH-WBVHZDCISA-N 0 0 331.412 3.120 50 30 EGEARN Cc1nc(C#N)c(NC[C@H](c2ccc(F)cc2F)N2CCCC2)o1 ZINC000227156235 242123159 /nfs/dbraw/zinc/12/31/59/242123159.db2.gz BAFUFQHXCONXJG-MRXNPFEDSA-N 0 0 332.354 3.382 50 30 EGEARN CCc1ccc(S(=O)(=O)N/N=C\c2c(C)[nH]c3ccccc23)cc1 ZINC000017071427 211952479 /nfs/dbraw/zinc/95/24/79/211952479.db2.gz MDCZDSQFFIOMKR-UNOMPAQXSA-N 0 0 341.436 3.351 50 30 EGEARN Oc1ccc(Br)cc1C=NN=c1[nH]c2ccccc2[nH]1 ZINC000012341097 211353111 /nfs/dbraw/zinc/35/31/11/211353111.db2.gz QVZBZEXZDHJZAW-PXNMLYILSA-N 0 0 331.173 3.477 50 30 EGEARN C=CCNC(=O)/C(=C\c1ccc(Cl)cc1)NC(=O)c1ccco1 ZINC000012343775 211352145 /nfs/dbraw/zinc/35/21/45/211352145.db2.gz AVNRCXQMBCBCQF-SDNWHVSQSA-N 0 0 330.771 3.006 50 30 EGEARN CNC(=O)CSc1nc(C(C)(C)C)cc(C(F)(F)F)c1C#N ZINC000008843591 211009388 /nfs/dbraw/zinc/00/93/88/211009388.db2.gz XNFRSTOPOQEHKG-UHFFFAOYSA-N 0 0 331.363 3.108 50 30 EGEARN C#CCn1c2ccccc2nc1[C@@H]1CC(=O)N(Cc2cccs2)C1 ZINC000007543136 210811893 /nfs/dbraw/zinc/81/18/93/210811893.db2.gz WOARDGUZLXGRQL-CQSZACIVSA-N 0 0 335.432 3.247 50 30 EGEARN CCc1ccc(C[C@H]2S/C(=N/N=C/c3ccco3)NC2=O)cc1 ZINC000005961709 210568332 /nfs/dbraw/zinc/56/83/32/210568332.db2.gz QLSRNIDZECFFQB-CLXYIWAZSA-N 0 0 327.409 3.006 50 30 EGEARN CC(C)Cc1cc(C(=O)N2CCC(C#N)(c3ccccc3)CC2)[nH]n1 ZINC000097505383 219031630 /nfs/dbraw/zinc/03/16/30/219031630.db2.gz JSLDLLIFVJXLPS-UHFFFAOYSA-N 0 0 336.439 3.306 50 30 EGEARN C#CCSc1nc2sc3c(c2c(=O)n1CC=C)CC(C)(C)OC3 ZINC000004785948 210278305 /nfs/dbraw/zinc/27/83/05/210278305.db2.gz BODNXEUUHHKLBI-UHFFFAOYSA-N 0 0 346.477 3.221 50 30 EGEARN Cc1csc([C@@H](C)CNC(=O)c2cccc(C#CC(C)(C)O)c2)n1 ZINC000299798642 258006136 /nfs/dbraw/zinc/00/61/36/258006136.db2.gz TYMOFGHPMKGRGD-ZDUSSCGKSA-N 0 0 342.464 3.107 50 30 EGEARN N#Cc1ccc(NC(=O)N2CCCC[C@H]2CCc2ccccn2)cn1 ZINC000299772797 258084956 /nfs/dbraw/zinc/08/49/56/258084956.db2.gz BXRVOJZPLVHQEF-SFHVURJKSA-N 0 0 335.411 3.367 50 30 EGEARN O=C(Cc1nc2ccc([N+](=O)[O-])cc2oc1=O)c1ccc(Cl)cc1 ZINC000100476741 258068783 /nfs/dbraw/zinc/06/87/83/258068783.db2.gz JMUROTBPYCAULL-MDWZMJQESA-N 0 0 344.710 3.346 50 30 EGEARN C[C@@H](O)[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3[C@@H](O)C[C@@]12C ZINC000257345538 258073548 /nfs/dbraw/zinc/07/35/48/258073548.db2.gz AIPVEEYYOOGTAW-JBKYINHESA-N 0 0 332.484 3.486 50 30 EGEARN C[C@@H]1CC[C@@]23OC(=N)[C@@](C#N)([C@H]2C1)C(C#N)(C#N)[C@@H](c1ccccc1)O3 ZINC000252469990 296669354 /nfs/dbraw/zinc/66/93/54/296669354.db2.gz GHTRPRHOWLFKPL-JTOXWUSOSA-N 0 0 346.390 3.441 50 30 EGEARN C[C@@H]1CC(=O)C2C(=Nc3nonc3N[C@H]2c2ccc3ncccc3c2)C1 ZINC000012324837 287192086 /nfs/dbraw/zinc/19/20/86/287192086.db2.gz POWUMKGEISIKOE-BTDLBPIBSA-N 0 0 347.378 3.450 50 30 EGEARN C[C@H]1C[C@H](C)CN(C(=O)CSc2nc3c(cc2C#N)CCC3)C1 ZINC000215682548 269894102 /nfs/dbraw/zinc/89/41/02/269894102.db2.gz VINHSZBNEYTQEN-STQMWFEESA-N 0 0 329.469 3.039 50 30 EGEARN CCOc1cc(C#N)cc(I)c1OC(C)C ZINC000000370878 452573282 /nfs/dbraw/zinc/57/32/82/452573282.db2.gz ATMNTTYUWJFPPN-UHFFFAOYSA-N 0 0 331.153 3.349 50 30 EGEARN Cc1cc(C)n(C(=O)C(C#N)=NNc2cc(Cl)cc(Cl)c2)n1 ZINC000001406384 452661077 /nfs/dbraw/zinc/66/10/77/452661077.db2.gz FKLPICSKIBQBSQ-CPNJWEJPSA-N 0 0 336.182 3.439 50 30 EGEARN N#Cc1cc2nc3ccccc3c-2n(-c2ccc([N+](=O)[O-])cc2)c1N ZINC000001303524 274921784 /nfs/dbraw/zinc/92/17/84/274921784.db2.gz VQJUHNUNFLUGJI-UHFFFAOYSA-N 0 0 329.319 3.492 50 30 EGEARN C=CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1c(Cl)cccc1Cl ZINC000004845053 276904062 /nfs/dbraw/zinc/90/40/62/276904062.db2.gz VXTVHVQJKBZUEW-CYBMUJFWSA-N 0 0 341.194 3.351 50 30 EGEARN COc1ccccc1Nc1c(C#N)c2c(c3nncn31)COC(C)(C)C2 ZINC000015106162 295375262 /nfs/dbraw/zinc/37/52/62/295375262.db2.gz PBDPTAGIVHJWKS-UHFFFAOYSA-N 0 0 349.394 3.204 50 30 EGEARN COc1ccccc1C=NN1CCN(Cc2ccc(C)cc2C)CC1 ZINC000244724374 455275311 /nfs/dbraw/zinc/27/53/11/455275311.db2.gz MSSJYHQUIGCUPW-UHFFFAOYSA-N 0 0 337.467 3.464 50 30 EGEARN COc1cc(/C=N/c2ccc(N(C)C(C)=O)cc2)cc(OC)c1OC ZINC000000027600 452490825 /nfs/dbraw/zinc/49/08/25/452490825.db2.gz QVGNDCBTEWXEDZ-UDWIEESQSA-N 0 0 342.395 3.446 50 30 EGEARN N#Cc1c(NC(=O)COc2ccccc2[N+](=O)[O-])sc2c1CCC2 ZINC000000092264 452503710 /nfs/dbraw/zinc/50/37/10/452503710.db2.gz PURHFQAJMLZTHF-UHFFFAOYSA-N 0 0 343.364 3.034 50 30 EGEARN O=[N+]([O-])c1cc(/C=N/N2CCN(c3ccccc3)CC2)ccc1Cl ZINC000000232112 452544462 /nfs/dbraw/zinc/54/44/62/452544462.db2.gz KIROLPJDXHFBPF-CPNJWEJPSA-N 0 0 344.802 3.404 50 30 EGEARN CCC[C@H](C)C1(CC)C(=O)NC(=Nc2ccc(Cl)cc2)NC1=O ZINC000000333826 452566799 /nfs/dbraw/zinc/56/67/99/452566799.db2.gz OVXVZMLCPGYBPM-NSHDSACASA-N 0 0 335.835 3.406 50 30 EGEARN Cc1cc(C)c(C#N)c(SCCC(=O)NCCc2ccccc2)n1 ZINC000000387185 452577681 /nfs/dbraw/zinc/57/76/81/452577681.db2.gz ZCDZRKUOOHYEQH-UHFFFAOYSA-N 0 0 339.464 3.411 50 30 EGEARN Fc1ccccc1C=NN1C(=S)N=NC1COc1ccccc1 ZINC000001245514 452649325 /nfs/dbraw/zinc/64/93/25/452649325.db2.gz RHRBQMRWXIZZRY-VCHYOVAHSA-N 0 0 328.372 3.167 50 30 EGEARN CCn1c(SCC#N)nnc1-c1cc(Br)cs1 ZINC000002788887 452724662 /nfs/dbraw/zinc/72/46/62/452724662.db2.gz XBMIKKQZXDVRJF-UHFFFAOYSA-N 0 0 329.248 3.405 50 30 EGEARN CCOc1ccc(CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000004550837 452808165 /nfs/dbraw/zinc/80/81/65/452808165.db2.gz NCZPAZOZVYLLTI-MHWRWJLKSA-N 0 0 330.300 3.348 50 30 EGEARN C=CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1c(Cl)cccc1Cl ZINC000004845054 452821958 /nfs/dbraw/zinc/82/19/58/452821958.db2.gz VXTVHVQJKBZUEW-ZDUSSCGKSA-N 0 0 341.194 3.351 50 30 EGEARN C=CCn1c(CNC(=O)c2ccc(Cl)c(Cl)c2)n[nH]c1=S ZINC000005444025 452873428 /nfs/dbraw/zinc/87/34/28/452873428.db2.gz OYHMJPRNNBYDAJ-UHFFFAOYSA-N 0 0 343.239 3.363 50 30 EGEARN COc1ccccc1C=NN1C(=S)N=NC1c1ccc(F)cc1 ZINC000005911553 452909600 /nfs/dbraw/zinc/90/96/00/452909600.db2.gz CBMXEQSTRFUGPL-VCHYOVAHSA-N 0 0 328.372 3.264 50 30 EGEARN C=C1[C@H](C(=O)Nc2ccc(F)cc2)[C@@H]1C(=O)Nc1ccc(F)cc1 ZINC000013139768 453449245 /nfs/dbraw/zinc/44/92/45/453449245.db2.gz KGZKFWUCNXIMMX-IYBDPMFKSA-N 0 0 328.318 3.344 50 30 EGEARN O=C(Oc1ccc2c(c1)O/C(=C\c1cccnc1)C2=O)c1ccncc1 ZINC000013685307 453480298 /nfs/dbraw/zinc/48/02/98/453480298.db2.gz UTFKBFSDEBWOGN-ZDLGFXPLSA-N 0 0 344.326 3.312 50 30 EGEARN O=C([C@H](c1ccccc1F)N1CC[C@@H]2SC(=O)C=C2C1)C1CC1 ZINC000013901976 453492032 /nfs/dbraw/zinc/49/20/32/453492032.db2.gz MJAMUSZUMAHFLH-RDJZCZTQSA-N 0 0 331.412 3.120 50 30 EGEARN C=CCN[C@@H](NC(=O)/C=C/c1ccccc1)C(Cl)(Cl)Cl ZINC000024061592 453723574 /nfs/dbraw/zinc/72/35/74/453723574.db2.gz ICRWHEGZPYJNTF-XEHSLEBBSA-N 0 0 333.646 3.288 50 30 EGEARN O=c1[nH]ncc(NN=Cc2ccc(Br)cc2)c1Cl ZINC000031854577 453856523 /nfs/dbraw/zinc/85/65/23/453856523.db2.gz UOULADUXAZEICM-RZNTYIFUSA-N 0 0 327.569 3.044 50 30 EGEARN N#Cc1ccc(C(=O)N2CCC[C@H](COc3ccc(F)cc3)C2)cn1 ZINC000077299157 454087768 /nfs/dbraw/zinc/08/77/68/454087768.db2.gz XPRVYRUTMHTFIB-AWEZNQCLSA-N 0 0 339.370 3.024 50 30 EGEARN Cn1cc(-c2cc(-c3cc(F)c(F)cc3F)nc(N)c2C#N)cn1 ZINC000071757246 454215057 /nfs/dbraw/zinc/21/50/57/454215057.db2.gz IUZDOIVEUXKUFV-UHFFFAOYSA-N 0 0 329.285 3.020 50 30 EGEARN CC(=O)[C@@H]1C[C@@H](O)[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000071770795 454216899 /nfs/dbraw/zinc/21/68/99/454216899.db2.gz TXSVIPOXNODKEY-MZLRYNDKSA-N 0 0 328.452 3.470 50 30 EGEARN C#CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)OC ZINC000097756893 454446777 /nfs/dbraw/zinc/44/67/77/454446777.db2.gz ONXCTKJXSGEPHY-LJQANCHMSA-N 0 0 349.386 3.090 50 30 EGEARN COc1ccc([C@@H]2CC(=O)OC3=C2C(=O)c2ccccc2C3=O)cc1 ZINC000100791457 454467658 /nfs/dbraw/zinc/46/76/58/454467658.db2.gz REMSPDLOLHDHGA-HNNXBMFYSA-N 0 0 334.327 3.059 50 30 biogenic EGEARN C=CCn1c2ccc(Br)cc2s/c1=N\C(=O)CC ZINC000100874342 454467869 /nfs/dbraw/zinc/46/78/69/454467869.db2.gz HHBVUSYFNSUOOV-SQFISAMPSA-N 0 0 325.231 3.489 50 30 EGEARN CC1(C)Oc2ccc3ccc(=O)oc3c2/C(=C/N2CCCCC2)C1=O ZINC000073855622 454492810 /nfs/dbraw/zinc/49/28/10/454492810.db2.gz YSECHPURTOEANS-OWBHPGMISA-N 0 0 339.391 3.360 50 30 biogenic EGEARN Cc1[nH]c2ccccc2c(=O)c1C[C@@H](C#N)C(=O)Nc1ccccc1 ZINC000065365735 454554335 /nfs/dbraw/zinc/55/43/35/454554335.db2.gz PMQOMUSKYGDVKM-AWEZNQCLSA-N 0 0 331.375 3.158 50 30 EGEARN Cc1ccc(/N=C2\c3ccccc3N(CN3CCOCC3)C2=O)cc1C ZINC000103733853 454566051 /nfs/dbraw/zinc/56/60/51/454566051.db2.gz JNVHBSWJEJVICB-LSDHQDQOSA-N 0 0 349.434 3.061 50 30 EGEARN C[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@H]2[C@H](O)C[C@]3(C)[C@@H](CC[C@]3(C)O)[C@H]12 ZINC000257358326 455897808 /nfs/dbraw/zinc/89/78/08/455897808.db2.gz SUKMOMANEUHOTO-RNBUFOGOSA-N 0 0 332.484 3.486 50 30 EGEARN C[C@H](NC(=O)N1CCC(C#N)CC1)c1cnn(-c2ccc(F)cc2)c1 ZINC000534649374 459341871 /nfs/dbraw/zinc/34/18/71/459341871.db2.gz VQRCATYJABUOCA-ZDUSSCGKSA-N 0 0 341.390 3.018 50 30 EGEARN C=CCCC(=O)NC[C@@H]1Cc2c(c(-c3ccncc3)ccc2F)O1 ZINC000011840226 518693842 /nfs/dbraw/zinc/69/38/42/518693842.db2.gz KRSFAIWPKCJSPY-AWEZNQCLSA-N 0 0 326.371 3.274 50 30 EGEARN C=CCc1cc(C)ccc1OCCOCCN1C[C@H](C)O[C@@H](C)C1 ZINC000020167268 519130249 /nfs/dbraw/zinc/13/02/49/519130249.db2.gz PIPKRWKAGGDCBT-ROUUACIJSA-N 0 0 333.472 3.228 50 30 EGEARN CC(C)(Oc1ccc(Cl)cc1)C(=N)NOC(=O)c1cccnc1 ZINC000005379362 519375716 /nfs/dbraw/zinc/37/57/16/519375716.db2.gz JYGRNSMBPSJPFJ-UHFFFAOYSA-N 0 0 333.775 3.022 50 30 EGEARN CCOc1ccc(C2N=NC(=S)N2NN=Cc2ccc(C)o2)cc1 ZINC000006876089 520823317 /nfs/dbraw/zinc/82/33/17/520823317.db2.gz DLVGHQMBFRBZBQ-LICLKQGHSA-N 0 0 343.412 3.112 50 30 EGEARN C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)ONC(=N)c1ccccn1 ZINC000005077984 525922531 /nfs/dbraw/zinc/92/25/31/525922531.db2.gz QYBPMZPKENTRAW-CYBMUJFWSA-N 0 0 341.411 3.010 50 30 EGEARN Cc1ccc(S(=O)(=O)O[C@@H]2CCN(c3cccc(F)c3)C2)cc1 ZINC000050888630 214072046 /nfs/dbraw/zinc/07/20/46/214072046.db2.gz WRHAQERSQQIYES-MRXNPFEDSA-N 0 0 335.400 3.118 50 30 EGEARN COc1cc(NC(=O)Cn2cc(C#N)c3ccccc32)cc(OC)c1 ZINC000051319078 214088877 /nfs/dbraw/zinc/08/88/77/214088877.db2.gz KPHVCILMSLKJSB-UHFFFAOYSA-N 0 0 335.363 3.169 50 30 EGEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1cccc(O)c1 ZINC000004660740 210239970 /nfs/dbraw/zinc/23/99/70/210239970.db2.gz QNYOXXKUNYKWJS-GOSISDBHSA-N 0 0 341.407 3.313 50 30 EGEARN CC(N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000100034191 219089168 /nfs/dbraw/zinc/08/91/68/219089168.db2.gz DGDCJMBPLINRKY-OQLLNIDSSA-N 0 0 345.271 3.247 50 30 EGEARN N#Cc1ccccc1NC(=O)c1cc([N+](=O)[O-])c(Cl)c([N+](=O)[O-])c1 ZINC000004524487 210213461 /nfs/dbraw/zinc/21/34/61/210213461.db2.gz SYJZDIGXPRFOCI-UHFFFAOYSA-N 0 0 346.686 3.280 50 30 EGEARN C=CCNC(=S)N/N=C/c1cccc(OCc2ccccc2F)c1 ZINC000004510922 210208600 /nfs/dbraw/zinc/20/86/00/210208600.db2.gz QOTCRJSPOBEFLF-CIAFOILYSA-N 0 0 343.427 3.389 50 30 EGEARN CC1(C)CC(=O)C(=CNCc2ccccc2Br)C(=O)C1 ZINC000100445078 219099147 /nfs/dbraw/zinc/09/91/47/219099147.db2.gz FOHBUVJUAMVMFB-UHFFFAOYSA-N 0 0 336.229 3.381 50 30 EGEARN CCCC[C@@H](CC)Cn1c2nc3ccccn3c(=O)c2cc(C#N)c1=N ZINC000100660408 219103236 /nfs/dbraw/zinc/10/32/36/219103236.db2.gz GAAFWZIWXLUDIF-CQSZACIVSA-N 0 0 349.438 3.217 50 30 EGEARN CCn1c2c(cccc2F)s/c1=N\C(=O)c1ccc(C#N)cc1 ZINC000100909264 219110747 /nfs/dbraw/zinc/11/07/47/219110747.db2.gz ZNRMKWXRKMHQLN-JZJYNLBNSA-N 0 0 325.368 3.475 50 30 EGEARN C[C@H]1CCc2c(C#N)c(NC(=O)CSc3nccn3C)sc2C1 ZINC000004334916 210173671 /nfs/dbraw/zinc/17/36/71/210173671.db2.gz UJXHJPRLXGCRSM-JTQLQIEISA-N 0 0 346.481 3.209 50 30 EGEARN COc1ccc(OC)c2sc(NC(=O)c3ccc(C#N)cc3)nc21 ZINC000002713913 209894895 /nfs/dbraw/zinc/89/48/95/209894895.db2.gz WNRGJCYGXYYORN-UHFFFAOYSA-N 0 0 339.376 3.437 50 30 EGEARN N#Cc1ccccc1C(=O)c1cccc(I)c1 ZINC000002392638 209847114 /nfs/dbraw/zinc/84/71/14/209847114.db2.gz YAMSOGVCQNPOEI-UHFFFAOYSA-N 0 0 333.128 3.394 50 30 EGEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(O)c1 ZINC000019925100 290922071 /nfs/dbraw/zinc/92/20/71/290922071.db2.gz INUIWVGZXKLKJO-KRWDZBQOSA-N 0 0 341.407 3.169 50 30 EGEARN N#Cc1cc2c(nc1SCC(=O)Nc1nccs1)CCCCC2 ZINC000037867977 213171696 /nfs/dbraw/zinc/17/16/96/213171696.db2.gz HZAAPRANCMOVML-UHFFFAOYSA-N 0 0 344.465 3.409 50 30 aggregator EGEARN COc1ccc(-n2ccnc2-c2ccc(C#CC(C)(C)O)cc2)cn1 ZINC000072152072 216041512 /nfs/dbraw/zinc/04/15/12/216041512.db2.gz YUNSXHVMMLPAQM-UHFFFAOYSA-N 0 0 333.391 3.065 50 30 EGEARN N#Cc1ccc(C(=O)N2CCCC[C@H]2c2nc3cc(F)ccc3[nH]2)cn1 ZINC000072425618 216216552 /nfs/dbraw/zinc/21/65/52/216216552.db2.gz ZTPRXCJFPWFMMV-KRWDZBQOSA-N 0 0 349.369 3.336 50 30 EGEARN Cc1nc(C#N)c(NC[C@@H](c2ccc(F)cc2F)N2CCCC2)o1 ZINC000227156231 242122879 /nfs/dbraw/zinc/12/28/79/242122879.db2.gz BAFUFQHXCONXJG-INIZCTEOSA-N 0 0 332.354 3.382 50 30 EGEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1cccc(OC)c1 ZINC000019536080 212040047 /nfs/dbraw/zinc/04/00/47/212040047.db2.gz BMIDJDXRDZJFRM-SFHVURJKSA-N 0 0 341.407 3.226 50 30 EGEARN C=CC[C@@]1(C(=O)[O-])CCC[N@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000092028795 218105666 /nfs/dbraw/zinc/10/56/66/218105666.db2.gz NRKPOHNONXMSFE-LJQANCHMSA-N 0 0 343.402 3.459 50 30 EGEARN COCc1cc(C)nc(SCC(=O)N(C)c2ccccc2)c1C#N ZINC000010231386 211155574 /nfs/dbraw/zinc/15/55/74/211155574.db2.gz TWTXUNVGYAHNSG-UHFFFAOYSA-N 0 0 341.436 3.163 50 30 EGEARN O=C1CSC(=S)N1/N=C\c1ccc(OCc2ccccc2)cc1 ZINC000005080385 284831755 /nfs/dbraw/zinc/83/17/55/284831755.db2.gz JZKSQTXJCLRGPV-ZDLGFXPLSA-N 0 0 342.445 3.460 50 30 EGEARN C=CCn1c(SCC(=O)NC2CCCC2)nnc1-c1cccs1 ZINC000006730922 258044460 /nfs/dbraw/zinc/04/44/60/258044460.db2.gz MVQZIDUDZYUUAJ-UHFFFAOYSA-N 0 0 348.497 3.344 50 30 EGEARN C=CCN1c2ccccc2[C@@](O)(CC(=O)c2ccc(C)s2)C1=O ZINC000004554657 258047029 /nfs/dbraw/zinc/04/70/29/258047029.db2.gz LIFUQNIABOJPBU-SFHVURJKSA-N 0 0 327.405 3.050 50 30 EGEARN CC(C)(O)C#Cc1ccc(C(=O)N(Cc2ccncc2)C2CC2)cc1 ZINC000065464887 258011931 /nfs/dbraw/zinc/01/19/31/258011931.db2.gz VTNJTLVDVXMAGU-UHFFFAOYSA-N 0 0 334.419 3.009 50 30 EGEARN C=CCCC(=O)NC[C@H]1Cc2cc(-c3cncnc3)cc(Cl)c2O1 ZINC000012212750 258017095 /nfs/dbraw/zinc/01/70/95/258017095.db2.gz XWUBKTVDCQYLIR-OAHLLOKOSA-N 0 0 343.814 3.183 50 30 EGEARN CCn1ncc(C(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)c1C ZINC000006490047 258051888 /nfs/dbraw/zinc/05/18/88/258051888.db2.gz DHYQLEXHPQZRJU-BQYQJAHWSA-N 0 0 330.384 3.133 50 30 EGEARN N#Cc1ccc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000001390009 135654898 /nfs/dbraw/zinc/65/48/98/135654898.db2.gz IYQZPUREBQWJED-UHFFFAOYSA-N 0 0 325.799 3.174 50 30 EGEARN COc1nc(N)c2c(c1C#N)NC1=C(C(=O)CCC1)[C@H]2c1ccccc1 ZINC000019874997 286553924 /nfs/dbraw/zinc/55/39/24/286553924.db2.gz HSRXKWLHMUXPOA-OAHLLOKOSA-N 0 0 346.390 3.109 50 30 EGEARN COc1cc(OC)c(/C=C2\N=C(SC)SC2=O)c(OC)c1 ZINC000000312316 452561999 /nfs/dbraw/zinc/56/19/99/452561999.db2.gz PZRLLNQCJVABHX-YFHOEESVSA-N 0 0 325.411 3.046 50 30 EGEARN C=C(C)COc1ccc([C@@H]2CC(=O)Oc3cc(C)oc(=O)c32)cc1 ZINC000218012461 275417936 /nfs/dbraw/zinc/41/79/36/275417936.db2.gz GWAYEODKMGWQNE-HNNXBMFYSA-N 0 0 326.348 3.344 50 30 biogenic EGEARN C=CCn1c2sc3c(c2c2nc(-c4ccccc4)nn2c1=O)CCC3 ZINC000013687365 275435582 /nfs/dbraw/zinc/43/55/82/275435582.db2.gz MWYNGYFXDKAQKK-UHFFFAOYSA-N 0 0 348.431 3.447 50 30 EGEARN CC(=O)Nc1ccc(/N=C/c2cc3c(cc2[N+](=O)[O-])OCO3)cc1 ZINC000000226217 275489383 /nfs/dbraw/zinc/48/93/83/275489383.db2.gz VQHAVXWHGDULTD-CAOOACKPSA-N 0 0 327.296 3.033 50 30 EGEARN C[C@@H]1CCCC[C@@H]1N1CN=C(Nc2nc3ccccc3s2)NC1 ZINC000009011902 278464829 /nfs/dbraw/zinc/46/48/29/278464829.db2.gz FDWGGRWUHUOODU-OCCSQVGLSA-N 0 0 329.473 3.272 50 30 EGEARN Cc1ccc([C@@H]2CC(=O)NC3=C2C(=O)CCC3)cc1Br ZINC000004078651 301723581 /nfs/dbraw/zinc/72/35/81/301723581.db2.gz MSYWXUFHHYPHDZ-NSHDSACASA-N 0 0 334.213 3.368 50 30 EGEARN N#CC1=NN(c2ccc(Cl)cc2Cl)[C@H]2CCCCCN2C1=O ZINC000033436181 303146878 /nfs/dbraw/zinc/14/68/78/303146878.db2.gz UPNJAXFDUAVGLY-AWEZNQCLSA-N 0 0 337.210 3.422 50 30 EGEARN Brc1cccc(C=NN2CCN(c3ccccn3)CC2)c1 ZINC000238950711 455260319 /nfs/dbraw/zinc/26/03/19/455260319.db2.gz ZLRPTDMMSNZRQZ-UHFFFAOYSA-N 0 0 345.244 3.000 50 30 EGEARN CCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1cc(C)ccc1C ZINC000000028043 452491775 /nfs/dbraw/zinc/49/17/75/452491775.db2.gz ZHOHMMJNLJRHNA-INIZCTEOSA-N 0 0 341.407 3.158 50 30 EGEARN COc1ccc([C@H]2C(=C(C)O)C(=O)C(=O)N2c2ccc(C)cc2)cc1 ZINC000000070754 452498177 /nfs/dbraw/zinc/49/81/77/452498177.db2.gz JZXNDABXKWJPGE-SFHVURJKSA-N 0 0 337.375 3.493 50 30 EGEARN Cc1cc(C)n(-c2nncn2/N=C/c2ccc(Cl)cc2Cl)n1 ZINC000000089747 452504576 /nfs/dbraw/zinc/50/45/76/452504576.db2.gz RMLKZVFYZKQFFZ-CNHKJKLMSA-N 0 0 335.198 3.270 50 30 EGEARN N#Cc1cc2c(nc1SCC(=O)Nc1ccc(F)cc1)CCC2 ZINC000000103606 452508168 /nfs/dbraw/zinc/50/81/68/452508168.db2.gz AHOHXJLCXPQANM-UHFFFAOYSA-N 0 0 327.384 3.312 50 30 EGEARN CCOC(=O)[C@H](C#N)[C@]1(c2ccccc2OC)CCOC(C)(C)C1 ZINC000000206903 452535171 /nfs/dbraw/zinc/53/51/71/452535171.db2.gz JKYAQPBLKAVSMJ-HNAYVOBHSA-N 0 0 331.412 3.225 50 30 EGEARN C[C@@H]1CCc2c(C#N)c(NC(=S)NC(=O)c3ccco3)sc2C1 ZINC000000324651 452564994 /nfs/dbraw/zinc/56/49/94/452564994.db2.gz AHTZTOKJEIRBTO-SECBINFHSA-N 0 0 345.449 3.464 50 30 EGEARN COc1cc(/C=N/c2c(C)cc(C)cc2C)ccc1OCC(N)=O ZINC000000361124 452571986 /nfs/dbraw/zinc/57/19/86/452571986.db2.gz ODBIZKZNFZKFJZ-UFFVCSGVSA-N 0 0 326.396 3.235 50 30 EGEARN NC(=O)COc1ccccc1/C=N/c1ccc(Br)cc1 ZINC000000361065 452572253 /nfs/dbraw/zinc/57/22/53/452572253.db2.gz ZCJFHQLKTZJMGJ-GIJQJNRQSA-N 0 0 333.185 3.064 50 30 EGEARN Cc1ccc(S(=O)(=O)N/N=C/c2c(F)cccc2Cl)cc1 ZINC000000453607 452596694 /nfs/dbraw/zinc/59/66/94/452596694.db2.gz JZCIBHAOAAKHKD-RQZCQDPDSA-N 0 0 326.780 3.100 50 30 EGEARN CC1=CC(=NOC(=O)c2ccccc2Br)C=C(C)C1=O ZINC000000457373 452598548 /nfs/dbraw/zinc/59/85/48/452598548.db2.gz HOCRGYFSXWHUAU-UHFFFAOYSA-N 0 0 334.169 3.437 50 30 EGEARN C#CCN1C(=O)S/C(=C/c2cccn2-c2ccc(OC)cc2)C1=O ZINC000001167426 452646327 /nfs/dbraw/zinc/64/63/27/452646327.db2.gz IKIWBLIFAIYNID-FOWTUZBSSA-N 0 0 338.388 3.155 50 30 EGEARN Oc1cccc(C=NN2C(=S)N=NC2c2ccccc2Cl)c1 ZINC000001275475 452650680 /nfs/dbraw/zinc/65/06/80/452650680.db2.gz ITYYKSKAESJCPJ-RQZCQDPDSA-N 0 0 330.800 3.475 50 30 EGEARN Cc1[nH]c2ccccc2c1[C@@]1(O)c2ccccc2N(CCCC#N)C1=O ZINC000002212093 452691186 /nfs/dbraw/zinc/69/11/86/452691186.db2.gz IGKTZNVYTSFDOC-NRFANRHFSA-N 0 0 345.402 3.363 50 30 EGEARN COc1ccccc1N1CCN(/N=C(\C)c2ccc(F)cc2)CC1 ZINC000004746460 452815949 /nfs/dbraw/zinc/81/59/49/452815949.db2.gz LUAVXCXQUHDOGS-RCCKNPSSSA-N 0 0 327.403 3.381 50 30 EGEARN CC(=O)COc1ccc2c(c1)O/C(=C\c1ccc([N+](=O)[O-])cc1)C2=O ZINC000005399089 452866718 /nfs/dbraw/zinc/86/67/18/452866718.db2.gz BREFAQXXUNCKAF-IUXPMGMMSA-N 0 0 339.303 3.179 50 30 EGEARN Cc1cccc(/N=C2/NC(=O)C(Cc3ccccc3[N+](=O)[O-])S2)c1 ZINC000005533048 452883298 /nfs/dbraw/zinc/88/32/98/452883298.db2.gz RRSCHJJCDBRLLU-OAHLLOKOSA-N 0 0 341.392 3.365 50 30 EGEARN Cc1snc(SCc2nc(COc3ccccc3)n[nH]2)c1C#N ZINC000005721521 452897747 /nfs/dbraw/zinc/89/77/47/452897747.db2.gz SXEIQVIXVOMZLO-UHFFFAOYSA-N 0 0 343.437 3.313 50 30 EGEARN Cc1ccc(N2C(=O)CS/C2=N\C(=O)NC2CCCCC2)cc1 ZINC000005746076 452899420 /nfs/dbraw/zinc/89/94/20/452899420.db2.gz MLUFFBBJMWRVBT-ZPHPHTNESA-N 0 0 331.441 3.473 50 30 EGEARN CSc1nc2n(n1)[C@@H](c1ccccc1F)C1C(=O)CCCC1=N2 ZINC000006677824 452966871 /nfs/dbraw/zinc/96/68/71/452966871.db2.gz KNBHCVQUCDMXNW-AWEZNQCLSA-N 0 0 330.388 3.161 50 30 EGEARN COc1ccc(NC(=O)CSc2ncc3c(c2C#N)CCC3)cc1 ZINC000006702122 452971200 /nfs/dbraw/zinc/97/12/00/452971200.db2.gz VQUXLLUMWQAJKT-UHFFFAOYSA-N 0 0 339.420 3.181 50 30 EGEARN C=C(C)Cn1cnc2c(oc3nc(C)c4c(c32)CC(C)(C)OC4)c1=O ZINC000012664659 453388696 /nfs/dbraw/zinc/38/86/96/453388696.db2.gz IIOJXBILVJCFLR-UHFFFAOYSA-N 0 0 339.395 3.274 50 30 biogenic EGEARN COc1ccc(NC(=O)[C@H](C)Oc2ccc(/C(C)=N\O)cc2)cc1 ZINC000013115858 453446655 /nfs/dbraw/zinc/44/66/55/453446655.db2.gz ZOHHXJQOQLECCJ-RQZLXBNYSA-N 0 0 328.368 3.299 50 30 EGEARN C=CCOc1c(I)cc(/C=N/O)cc1OCC ZINC000013915458 453490496 /nfs/dbraw/zinc/49/04/96/453490496.db2.gz KLKMXKOZSAKDFH-RIYZIHGNSA-N 0 0 347.152 3.063 50 30 EGEARN CS/C(=N\C#N)SCSc1sc(C#N)c(N)c1C#N ZINC000015441952 453573512 /nfs/dbraw/zinc/57/35/12/453573512.db2.gz PWXMGRPJOJEQOY-XNTDXEJSSA-N 0 0 325.469 3.057 50 30 EGEARN N#Cc1ccc(NC(=O)C2CCN(C(=O)c3cccs3)CC2)cc1 ZINC000018115030 453644556 /nfs/dbraw/zinc/64/45/56/453644556.db2.gz VYRJEQGCHUNBQX-UHFFFAOYSA-N 0 0 339.420 3.111 50 30 EGEARN N#Cc1ccccc1NC(=O)CSc1n[nH]c(-c2ccccc2)n1 ZINC000018188051 453647101 /nfs/dbraw/zinc/64/71/01/453647101.db2.gz FPGIXPHHYMPKJZ-UHFFFAOYSA-N 0 0 335.392 3.074 50 30 EGEARN CCCc1nc(C#N)c(N2CCN(c3cccc(Cl)c3)CC2)o1 ZINC000026779499 453805558 /nfs/dbraw/zinc/80/55/58/453805558.db2.gz FWPJRKJSTHGHKM-UHFFFAOYSA-N 0 0 330.819 3.479 50 30 EGEARN O=C(NCC#CCN1CCc2ccccc2C1)c1ccc(Cl)s1 ZINC000075165044 453868131 /nfs/dbraw/zinc/86/81/31/453868131.db2.gz MDGAOOSQKBYTMW-UHFFFAOYSA-N 0 0 344.867 3.193 50 30 EGEARN C/C(=N/NS(=O)(=O)c1ccc(C)cc1C)c1c[nH]c2ccccc12 ZINC000032578362 453878702 /nfs/dbraw/zinc/87/87/02/453878702.db2.gz FFRDHGGOWAUXHB-ZHZULCJRSA-N 0 0 341.436 3.487 50 30 EGEARN COC(=O)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F ZINC000068576147 454039229 /nfs/dbraw/zinc/03/92/29/454039229.db2.gz DSKGYKJXZRFRDP-VKHMYHEASA-N 0 0 344.076 3.195 50 30 EGEARN COc1cccc(NC(=O)[C@H](C#N)Cc2ccc(OC)cc2OC)c1 ZINC000057525133 454134688 /nfs/dbraw/zinc/13/46/88/454134688.db2.gz HTGIXGVMKDRDLM-AWEZNQCLSA-N 0 0 340.379 3.033 50 30 EGEARN Cc1ccc(Nc2nc3nonc3[nH]c2=NN=Cc2ccco2)cc1 ZINC000059488846 454260110 /nfs/dbraw/zinc/26/01/10/454260110.db2.gz YHFCZLLQTZEFES-RQZCQDPDSA-N 0 0 335.327 3.104 50 30 EGEARN Cc1c[nH]nc1C1CCN(C(=O)Nc2ccc(C#N)cc2F)CC1 ZINC000096131158 454290602 /nfs/dbraw/zinc/29/06/02/454290602.db2.gz VFOLUCDHUNPJGL-UHFFFAOYSA-N 0 0 327.363 3.140 50 30 EGEARN N#CCc1nn(-c2ccccc2)c2ncn(C3CCCCC3)c(=N)c12 ZINC000100283541 454465111 /nfs/dbraw/zinc/46/51/11/454465111.db2.gz LWHJRVFXVPVMHF-UHFFFAOYSA-N 0 0 332.411 3.273 50 30 EGEARN CC(=O)NCCn1cnc(-c2ccccc2)c1-c1cccc(C#N)c1 ZINC000065410027 454561852 /nfs/dbraw/zinc/56/18/52/454561852.db2.gz NRSSQEHCIYNQFN-UHFFFAOYSA-N 0 0 330.391 3.225 50 30 EGEARN COc1ccc([C@H](C#N)C(=O)c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000066088527 454657058 /nfs/dbraw/zinc/65/70/58/454657058.db2.gz ITXWNGCYHJQWFP-HNNXBMFYSA-N 0 0 341.363 3.211 50 30 EGEARN COc1cccc2c1ccn2CCNC(=O)c1ccc(N=[N+]=[N-])nc1 ZINC000108516436 454801232 /nfs/dbraw/zinc/80/12/32/454801232.db2.gz KSTYWEFHGKPNGO-UHFFFAOYSA-N 0 0 336.355 3.417 50 30 EGEARN Cl/C(C=NN1CCN(c2ccccn2)CC1)=C\c1ccccc1 ZINC000245228730 455280990 /nfs/dbraw/zinc/28/09/90/455280990.db2.gz DIVHNASUCKLCEI-UVPZNFJVSA-N 0 0 326.831 3.469 50 30 EGEARN Cc1nn(C)c(C)c1[C@H](NC(=O)c1cnccc1C)C(F)(F)F ZINC000331180190 457143212 /nfs/dbraw/zinc/14/32/12/457143212.db2.gz LIBWHPZAGUJEJO-ZDUSSCGKSA-N 0 0 326.322 3.349 50 30 EGEARN Cc1ccc(S(=O)(=O)O[C@H]2C[C@@H](OCc3ccccc3)C2)cc1 ZINC000390822268 457442335 /nfs/dbraw/zinc/44/23/35/457442335.db2.gz OZZFTTRVVCIFDV-CALCHBBNSA-N 0 0 332.421 3.448 50 30 EGEARN CSc1c(C#N)c(=O)oc2c1CCc1nn(-c3ccccc3)cc1-2 ZINC000585145608 459829842 /nfs/dbraw/zinc/82/98/42/459829842.db2.gz CBTJCYRGMYNXKS-UHFFFAOYSA-N 0 0 335.388 3.185 50 30 EGEARN N#Cc1cc(I)c(Br)cc1F ZINC000575687507 459993292 /nfs/dbraw/zinc/99/32/92/459993292.db2.gz CKYHKEBNVIUBAI-UHFFFAOYSA-N 0 0 325.906 3.064 50 30 EGEARN C#Cc1cccc(C(=O)N(CCOC)Cc2ccc(OCC)cc2)c1 ZINC000055228533 518359574 /nfs/dbraw/zinc/35/95/74/518359574.db2.gz AINOWHVSJPTMQI-UHFFFAOYSA-N 0 0 337.419 3.355 50 30 EGEARN C=CCNC(=O)COc1ccccc1-c1noc(-c2cccc(C)c2)n1 ZINC000033325163 518895692 /nfs/dbraw/zinc/89/56/92/518895692.db2.gz DTMZZVYIIWKTMZ-UHFFFAOYSA-N 0 0 349.390 3.393 50 30 EGEARN C=CCOc1c(Cl)cc(C(=O)NCc2nnc(C)o2)cc1Cl ZINC000055133090 519004158 /nfs/dbraw/zinc/00/41/58/519004158.db2.gz UHPMFJYDPPBRFW-UHFFFAOYSA-N 0 0 342.182 3.180 50 30 EGEARN CCOc1ccccc1N1CCN(C(=S)NCc2ccco2)CC1 ZINC000008682691 521515688 /nfs/dbraw/zinc/51/56/88/521515688.db2.gz HVMIMHNKJCHOSE-UHFFFAOYSA-N 0 0 345.468 3.286 50 30 EGEARN Cc1cccc(C(=N)NOC(=O)COc2ccc(Cl)cc2C)c1 ZINC000005013966 524151370 /nfs/dbraw/zinc/15/13/70/524151370.db2.gz VGDRKCNKUQBGPU-UHFFFAOYSA-N 0 0 332.787 3.199 50 30 EGEARN N#C[C@](CO)(Cc1ccc(OC(F)F)cc1)c1nc2ccccc2[nH]1 ZINC000000550208 526515118 /nfs/dbraw/zinc/51/51/18/526515118.db2.gz NGTNZHVIXMUAJC-SFHVURJKSA-N 0 0 343.333 3.161 50 30 EGEARN N/C(=N\O)c1cn(CCOc2ccccc2Cl)c2ccccc12 ZINC000004140768 526807310 /nfs/dbraw/zinc/80/73/10/526807310.db2.gz LNFUQRTXRCWGNP-UHFFFAOYSA-N 0 0 329.787 3.468 50 30 EGEARN CCOC(=O)[C@H](Cc1ccc(Cl)cc1Cl)C(=O)C=CN(C)C ZINC000006350158 537698824 /nfs/dbraw/zinc/69/88/24/537698824.db2.gz HZNINJSNPLWUSB-SBDDDAINSA-N 0 0 344.238 3.360 50 30 EGEARN CCc1nc2ccccc2c(OCC(=O)Nc2ccc(C#N)cc2)n1 ZINC000888104383 1304034234 /nfs/dbraw/zinc/03/42/34/1304034234.db2.gz WPWRYZCRRJOMQA-UHFFFAOYSA-N 0 0 332.363 3.081 50 30 EGEARN CC(C)CCn1c(CN2CCn3nc(C#N)cc3C2)nc2ccccc21 ZINC000826805771 1320405650 /nfs/dbraw/zinc/40/56/50/1320405650.db2.gz XDFFTKLWFRTGFB-UHFFFAOYSA-N 0 0 348.454 3.166 50 30 EGEARN C=CCc1cc(C(=O)N(C)CCCc2c(C)n[nH]c2C)ccc1OC ZINC000952961329 1334625774 /nfs/dbraw/zinc/62/57/74/1334625774.db2.gz BOSPLJOLDBWILO-UHFFFAOYSA-N 0 0 341.455 3.468 50 30 EGEARN CN(C)C1=C(Nc2ccc(F)c(F)c2)C(=O)c2ccccc2C1=O ZINC000004725427 210261576 /nfs/dbraw/zinc/26/15/76/210261576.db2.gz HQARVPMSALERGZ-UHFFFAOYSA-N 0 0 328.318 3.229 50 30 EGEARN C=C(C)COc1ccccc1C(=O)NCCc1c(C)nn(CC)c1C ZINC000055036232 214265002 /nfs/dbraw/zinc/26/50/02/214265002.db2.gz STWKOYHRAKXNDM-UHFFFAOYSA-N 0 0 341.455 3.447 50 30 EGEARN Cc1ccc(S(=O)(=O)N/N=C/c2ccc(Cl)nc2Cl)cc1 ZINC000097743322 219053454 /nfs/dbraw/zinc/05/34/54/219053454.db2.gz GYBDDWOJOWYJHQ-LZYBPNLTSA-N 0 0 344.223 3.009 50 30 EGEARN CC(C)CN(CC#Cc1ccccc1)C(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000055182864 214284461 /nfs/dbraw/zinc/28/44/61/214284461.db2.gz NEAFDOCEADIVTQ-UHFFFAOYSA-N 0 0 347.418 3.006 50 30 EGEARN C=C(C)COc1ccccc1C(=O)N[C@H](C(=O)OC)c1ccccc1 ZINC000055211589 214289715 /nfs/dbraw/zinc/28/97/15/214289715.db2.gz VLYROINMNTUAGK-SFHVURJKSA-N 0 0 339.391 3.286 50 30 EGEARN CSc1nc2c(c(=O)[nH]1)[C@@H](c1ccccc1)C1=C(CCCC1=O)N2 ZINC000004194078 295687651 /nfs/dbraw/zinc/68/76/51/295687651.db2.gz MYGNPEXSQCEOSW-ZDUSSCGKSA-N 0 0 339.420 3.056 50 30 EGEARN CCS(=O)(=O)c1ccc(C(=O)Nc2sc(C)c(C)c2C#N)cc1 ZINC000004585922 210227146 /nfs/dbraw/zinc/22/71/46/210227146.db2.gz BVIYUNRJYISUMQ-UHFFFAOYSA-N 0 0 348.449 3.283 50 30 EGEARN Cc1cc(C)nc(N=NCC2C(=O)CC(c3ccccc3)CC2=O)n1 ZINC000100130970 219092637 /nfs/dbraw/zinc/09/26/37/219092637.db2.gz FQQPRJXWIHJAJR-BBJIBYMTSA-N 0 0 336.395 3.450 50 30 EGEARN Cc1ccc(NC(=O)[C@H]2CC(=O)NC3=C2C(=O)CC(C)(C)C3)cc1C ZINC000100418167 219098269 /nfs/dbraw/zinc/09/82/69/219098269.db2.gz HHHCIUTVHDQTAV-AWEZNQCLSA-N 0 0 340.423 3.021 50 30 EGEARN Cc1c(C#N)c2[nH]c3ccccc3n2c(=O)c1CCc1ccncc1 ZINC000100901801 219110655 /nfs/dbraw/zinc/11/06/55/219110655.db2.gz BWAMMMKBCNJMHV-UHFFFAOYSA-N 0 0 328.375 3.141 50 30 EGEARN C/C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)=N\O ZINC000100901860 219111104 /nfs/dbraw/zinc/11/11/04/219111104.db2.gz IFLUESKQQILWQO-XDHOZWIPSA-N 0 0 325.393 3.328 50 30 EGEARN COc1ccc2c(c1)O/C(=C\c1ccccc1OC(=O)N(C)C)C2=O ZINC000004339914 210176509 /nfs/dbraw/zinc/17/65/09/210176509.db2.gz SAUMXLUGUUOZOF-YVLHZVERSA-N 0 0 339.347 3.372 50 30 EGEARN CCc1ccccc1NC(=O)[C@H]1CCCN1/C=C/C(=O)C(F)(F)F ZINC000004119680 210125310 /nfs/dbraw/zinc/12/53/10/210125310.db2.gz NEDJFOBCPUYDIZ-CFRMROPGSA-N 0 0 340.345 3.297 50 30 EGEARN CC(C)N(C)C(=O)C(=O)c1cccn1-c1cccc(Cl)c1C#N ZINC000004054735 210108453 /nfs/dbraw/zinc/10/84/53/210108453.db2.gz BHGFGSXNBMAVTI-UHFFFAOYSA-N 0 0 329.787 3.052 50 30 EGEARN C=CC[N@@H+](Cc1ccc(SC)cc1)C[C@H]1[C@@H]2CN(C(C)=O)C[C@H]12 ZINC000102261782 219192658 /nfs/dbraw/zinc/19/26/58/219192658.db2.gz MJLJGOXZYZFCIV-LDLYASANSA-N 0 0 330.497 3.121 50 30 EGEARN O=C1C=C(Nc2ccc(Br)cn2)C(=O)c2ccccc21 ZINC000103831601 219325935 /nfs/dbraw/zinc/32/59/35/219325935.db2.gz BSFNNSOBGXGAIA-UHFFFAOYSA-N 0 0 329.153 3.219 50 30 EGEARN COC(=O)[C@@H]1C(=O)C(=C(C)Nc2ccccc2O)C(=O)CC1(C)C ZINC000103915587 219329261 /nfs/dbraw/zinc/32/92/61/219329261.db2.gz QXJHHIUAUNEMIL-RPJLVFAOSA-N 0 0 331.368 3.085 50 30 EGEARN N#CCCOC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000001795158 209795827 /nfs/dbraw/zinc/79/58/27/209795827.db2.gz NUAMDYBWLPAJIC-UHFFFAOYSA-N 0 0 334.275 3.163 50 30 EGEARN Cc1c(C#N)c(NC(=O)/C=C/c2cccs2)sc1C(=O)N(C)C ZINC000001000067 209698945 /nfs/dbraw/zinc/69/89/45/209698945.db2.gz LRIJHNFHONPGLH-VOTSOKGWSA-N 0 0 345.449 3.343 50 30 EGEARN N#Cc1c2nc(-c3ccco3)nn2ccc1-c1ccc2c(c1)OCO2 ZINC000004050906 283082897 /nfs/dbraw/zinc/08/28/97/283082897.db2.gz SEKTYBJRWVIIAJ-UHFFFAOYSA-N 0 0 330.303 3.257 50 30 EGEARN CCSc1nnc(C)n1/N=C/c1ccc(OC(F)F)c(OC)c1 ZINC000036611486 213100726 /nfs/dbraw/zinc/10/07/26/213100726.db2.gz LYIXMLHJJSSIPX-CAOOACKPSA-N 0 0 342.371 3.191 50 30 EGEARN Cc1nc([C@@H]2CCCN(c3cccc(C#N)n3)C2)cc(N2CCCC2)n1 ZINC000072477318 216255929 /nfs/dbraw/zinc/25/59/29/216255929.db2.gz ZTPXBUFTBISHHG-MRXNPFEDSA-N 0 0 348.454 3.036 50 30 EGEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1cccnc1 ZINC000019798332 212070073 /nfs/dbraw/zinc/07/00/73/212070073.db2.gz AUPNIRRJIDXNBS-GOSISDBHSA-N 0 0 340.423 3.393 50 30 EGEARN C=CCOc1ccc(C2N3CC4(CC)CN2CC(CC)(C3)C4=O)cc1 ZINC000019320464 212015253 /nfs/dbraw/zinc/01/52/53/212015253.db2.gz BMOKKLQWGWEQDJ-UHFFFAOYSA-N 0 0 340.467 3.257 50 30 EGEARN CC1(C)C[C@]2(CCO1)C(Nc1ccccc1)=NC(=S)N2CC#N ZINC000018066624 211979566 /nfs/dbraw/zinc/97/95/66/211979566.db2.gz VFKUELPTCOWTMI-QGZVFWFLSA-N 0 0 328.441 3.169 50 30 EGEARN COc1ccc(/C=C2\S/C(=N/c3ccc(O)cc3)NC2=O)cc1 ZINC000016770041 211934573 /nfs/dbraw/zinc/93/45/73/211934573.db2.gz ACYPWCBMXGKTQA-GDNBJRDFSA-N 0 0 326.377 3.292 50 30 EGEARN O=S(=O)(N=C(Nc1cccnc1)c1ccccc1)c1cccs1 ZINC000012524692 211397128 /nfs/dbraw/zinc/39/71/28/211397128.db2.gz WBQPNMJGRFWGPB-UHFFFAOYSA-N 0 0 343.433 3.391 50 30 EGEARN CCOC(=O)CN1C(=S)N=C(Nc2ccccc2)C12CCCCC2 ZINC000012413322 211373104 /nfs/dbraw/zinc/37/31/04/211373104.db2.gz DKPPRCDXEBVYOM-UHFFFAOYSA-N 0 0 345.468 3.173 50 30 EGEARN COC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1ccc(F)cc1)C2=O ZINC000009575780 211104175 /nfs/dbraw/zinc/10/41/75/211104175.db2.gz YUSBAAYEVJTEMA-JWHLFPLYSA-N 0 0 342.322 3.382 50 30 EGEARN O=S1(=O)CCC(=NNc2cccc(Cl)c2)c2ccsc21 ZINC000005671154 285051282 /nfs/dbraw/zinc/05/12/82/285051282.db2.gz AATSOLCMGCURRU-FOWTUZBSSA-N 0 0 326.830 3.395 50 30 EGEARN CC(=O)c1cnn(-c2cc(Oc3ccc(C#N)cc3)nc(C)n2)c1C ZINC000005353022 210446822 /nfs/dbraw/zinc/44/68/22/210446822.db2.gz DECOBRVKKVRMSM-UHFFFAOYSA-N 0 0 333.351 3.146 50 30 EGEARN COc1cc2c(cc1OC)C(=CC(=O)c1ccc(F)cc1)NCC2 ZINC000005325295 210439745 /nfs/dbraw/zinc/43/97/45/210439745.db2.gz GIRPWECKOLJTNB-WJDWOHSUSA-N 0 0 327.355 3.212 50 30 EGEARN Cc1cccc(C[C@@H]2S/C(=N/N=C\c3ccccc3F)NC2=O)c1 ZINC000005010016 210361291 /nfs/dbraw/zinc/36/12/91/210361291.db2.gz NXPZKOGKJUYCBP-VBNMEBLOSA-N 0 0 341.411 3.298 50 30 EGEARN C=C(C)COc1ccccc1NC(=O)NCC1(Cn2cccn2)CC1 ZINC000096165214 258012527 /nfs/dbraw/zinc/01/25/27/258012527.db2.gz ZPTCKPLGBBQQRO-UHFFFAOYSA-N 0 0 340.427 3.440 50 30 EGEARN C=CCN(Cc1ccccc1C)C(=O)[C@H](C)Cn1nc(C)nc1C ZINC000055053613 258014813 /nfs/dbraw/zinc/01/48/13/258014813.db2.gz MHPMJQBBBBZZBO-OAHLLOKOSA-N 0 0 326.444 3.054 50 30 EGEARN Oc1ccccc1N1CCN(C(=S)NCc2ccccc2)CC1 ZINC000013637317 258056105 /nfs/dbraw/zinc/05/61/05/258056105.db2.gz LJRJISMAHQCCFU-UHFFFAOYSA-N 0 0 327.453 3.000 50 30 EGEARN N#Cc1ccnc(N2CCC(CO)(Cc3ccccc3Cl)CC2)c1 ZINC000067673079 132812033 /nfs/dbraw/zinc/81/20/33/132812033.db2.gz YDJSEMMRYCLIDE-UHFFFAOYSA-N 0 0 341.842 3.428 50 30 EGEARN CC(C)c1nc(N2CCOCC2)c(C#N)c2c1CSC(C)(C)C2 ZINC000020827095 135722463 /nfs/dbraw/zinc/72/24/63/135722463.db2.gz MOUOMBQPYDOKJR-UHFFFAOYSA-N 0 0 331.485 3.481 50 30 EGEARN Cc1c(C(=O)Cn2c(C)cc(C)c(C#N)c2=O)c2ccccc2n1C ZINC000007463046 264007268 /nfs/dbraw/zinc/00/72/68/264007268.db2.gz BRPJACJIHMGVEP-UHFFFAOYSA-N 0 0 333.391 3.020 50 30 EGEARN CO/N=C1/CC(C)(C)Cc2c1c(-c1ccc3c(c1)OCO3)nn2C ZINC000035112868 277047397 /nfs/dbraw/zinc/04/73/97/277047397.db2.gz QKPBXVLIGHZWDJ-NDENLUEZSA-N 0 0 327.384 3.139 50 30 EGEARN COc1ccccc1NN=C1C(=O)Nc2ccc(Br)cc21 ZINC000100377799 278051817 /nfs/dbraw/zinc/05/18/17/278051817.db2.gz RSDRSIHMJPCROW-UHFFFAOYSA-N 0 0 346.184 3.226 50 30 EGEARN COc1nccc(N2CCO[C@H](c3ccc(Cl)cc3)C2)c1C#N ZINC000071767659 278093169 /nfs/dbraw/zinc/09/31/69/278093169.db2.gz XHOYHQRTHGJMDJ-INIZCTEOSA-N 0 0 329.787 3.193 50 30 EGEARN Cc1cs/c(=N/N=C/c2ccc(O)cc2O)n1-c1ccccc1 ZINC000004475511 279037219 /nfs/dbraw/zinc/03/72/19/279037219.db2.gz QKFISSZVSXPAGC-PLZFDSBDSA-N 0 0 325.393 3.193 50 30 EGEARN COc1ccc([C@@H]2CC(=O)N(N(C)C)C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000001432862 295217884 /nfs/dbraw/zinc/21/78/84/295217884.db2.gz OIMDJDUMMGVEJC-HNNXBMFYSA-N 0 0 342.439 3.131 50 30 EGEARN Cc1ccc([C@@H]2CC(=O)N(N(C)C)C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000001429571 301723683 /nfs/dbraw/zinc/72/36/83/301723683.db2.gz MMBCUIQIPADEBZ-HNNXBMFYSA-N 0 0 326.440 3.431 50 30 EGEARN CCOc1ccccc1[C@H]1C(C(=O)OC)=C(C)NC2=C1C(=O)CCC2 ZINC000000135402 452516579 /nfs/dbraw/zinc/51/65/79/452516579.db2.gz YHQHWUYREXJERB-SFHVURJKSA-N 0 0 341.407 3.226 50 30 EGEARN COc1cccc(/C=N/n2cnnc2SCc2ccccc2)c1O ZINC000000147622 452521658 /nfs/dbraw/zinc/52/16/58/452521658.db2.gz OGUJEDSYNZFHHM-VXLYETTFSA-N 0 0 340.408 3.167 50 30 EGEARN COc1cc(CO)c(Br)cc1OCc1ccccc1C#N ZINC000000469730 452602896 /nfs/dbraw/zinc/60/28/96/452602896.db2.gz COPOBWZAZYGLTR-UHFFFAOYSA-N 0 0 348.196 3.401 50 30 EGEARN O=C(C=Cc1ccccc1)C[C@@]1(O)C(=O)Nc2ccc(Cl)cc21 ZINC000000565140 452624381 /nfs/dbraw/zinc/62/43/81/452624381.db2.gz DJKAQRZCSJVIRP-IWHGQQBYSA-N 0 0 327.767 3.152 50 30 EGEARN COc1ccc(/C=N/NC(=S)Nc2ccccc2)c(OC)c1OC ZINC000000731228 452633599 /nfs/dbraw/zinc/63/35/99/452633599.db2.gz RSMGOJOYNVIKHB-WOJGMQOQSA-N 0 0 345.424 3.033 50 30 EGEARN O=C1c2ccccc2N[C@H](c2cc(Br)ccc2O)N1O ZINC000001012019 452640928 /nfs/dbraw/zinc/64/09/28/452640928.db2.gz CBLZDSSYVRALLE-ZDUSSCGKSA-N 0 0 335.157 3.110 50 30 EGEARN N#Cc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)cc1 ZINC000001098613 452644904 /nfs/dbraw/zinc/64/49/04/452644904.db2.gz BQUARQVQBYSCGT-ZDUSSCGKSA-N 0 0 339.782 3.203 50 30 EGEARN CC(=O)O/N=C1/c2cc(C)ccc2N(Cc2ccc(Cl)cc2)C1=O ZINC000001397223 452659663 /nfs/dbraw/zinc/65/96/63/452659663.db2.gz LDSNMTMLMSBCKX-JZJYNLBNSA-N 0 0 342.782 3.462 50 30 EGEARN C=CCNC(=O)c1cnn2c1nc(-c1ccccc1)cc2C(F)F ZINC000002485416 452700105 /nfs/dbraw/zinc/70/01/05/452700105.db2.gz RZRLSRJCWQRCFF-UHFFFAOYSA-N 0 0 328.322 3.250 50 30 EGEARN C=CCc1ccccc1OCCOc1ccccc1/C=N/n1cnnc1 ZINC000002878794 452732608 /nfs/dbraw/zinc/73/26/08/452732608.db2.gz IUQLLMSSNTUUQX-OEAKJJBVSA-N 0 0 348.406 3.347 50 30 EGEARN COc1cc(/C(C)=N/N2CCN(c3ccccc3)CC2)cc(C)c1O ZINC000005570677 452884168 /nfs/dbraw/zinc/88/41/68/452884168.db2.gz LWUDCCVBIFYKGE-LTGZKZEYSA-N 0 0 339.439 3.255 50 30 EGEARN COc1ccc(/C=C2\Oc3cc(O)cc(C)c3C2=O)c(OC)c1OC ZINC000006623988 452960132 /nfs/dbraw/zinc/96/01/32/452960132.db2.gz UOZJLOKDDFHIDR-NVNXTCNLSA-N 0 0 342.347 3.343 50 30 biogenic EGEARN CCc1ccc(N2C[C@H](C(=O)Nc3ccccc3C#N)CC2=O)cc1 ZINC000008262180 453181462 /nfs/dbraw/zinc/18/14/62/453181462.db2.gz GFFQOSDSCGNQEJ-MRXNPFEDSA-N 0 0 333.391 3.112 50 30 EGEARN Cc1nc(-c2ccc(S(=O)(=O)Nc3ccc(C#N)cc3)cc2)co1 ZINC000008600801 453217596 /nfs/dbraw/zinc/21/75/96/453217596.db2.gz GHCFGYRONRGEFM-UHFFFAOYSA-N 0 0 339.376 3.323 50 30 EGEARN CC#CC(=O)N[C@@H]1CC(C)(C)Cc2c1cnn2-c1ccc(OC)cc1 ZINC000012438954 453361194 /nfs/dbraw/zinc/36/11/94/453361194.db2.gz QDRWVXCSSKTZHC-QGZVFWFLSA-N 0 0 337.423 3.034 50 30 EGEARN COc1ccc(OC)c(/C=C2\Oc3cc(OC(C)=O)ccc3C2=O)c1 ZINC000012859358 453415604 /nfs/dbraw/zinc/41/56/04/453415604.db2.gz VGORPJHVCPIUHO-NVMNQCDNSA-N 0 0 340.331 3.245 50 30 biogenic EGEARN O=C(C/C=N\OCc1ccc([N+](=O)[O-])cc1)Nc1ccc(F)cc1F ZINC000012957766 453430400 /nfs/dbraw/zinc/43/04/00/453430400.db2.gz OGXRBLASTOONML-UWVJOHFNSA-N 0 0 349.293 3.404 50 30 EGEARN CC[C@@H](C)/N=C/c1c(=O)n2cccc(C)c2nc1NCc1ccco1 ZINC000013139093 453449975 /nfs/dbraw/zinc/44/99/75/453449975.db2.gz WUPHGRKJEJGDKR-MQMKENTISA-N 0 0 338.411 3.425 50 30 EGEARN Cc1cccc(C[C@H]2S/C(=N/N=C/c3ccccc3C)NC2=O)c1 ZINC000016134316 453596088 /nfs/dbraw/zinc/59/60/88/453596088.db2.gz FMKCKTDIZYSMJI-XNHPLOEXSA-N 0 0 337.448 3.468 50 30 EGEARN O=[N+]([O-])c1cccc(-c2csc(N=NCc3ccccc3O)n2)c1 ZINC000017016877 453626084 /nfs/dbraw/zinc/62/60/84/453626084.db2.gz KIJUSYPHHQQMLD-RQZCQDPDSA-N 0 0 340.364 3.292 50 30 EGEARN C#CC(C)(C)NC1(c2nnnn2-c2c(C)cccc2C)CCCCC1 ZINC000019848419 453659664 /nfs/dbraw/zinc/65/96/64/453659664.db2.gz RNYWAPRNYDHDTG-UHFFFAOYSA-N 0 0 337.471 3.440 50 30 EGEARN Ic1ccccc1CN=Nc1nccs1 ZINC000031854299 453856823 /nfs/dbraw/zinc/85/68/23/453856823.db2.gz YQDHTOFCVLXUGH-QPEQYQDCSA-N 0 0 329.166 3.194 50 30 EGEARN N#Cc1cccnc1N1CCC[C@](CO)(Cc2cccc(Cl)c2)C1 ZINC000067757089 453963412 /nfs/dbraw/zinc/96/34/12/453963412.db2.gz DZYWGLQVADDMPZ-IBGZPJMESA-N 0 0 341.842 3.428 50 30 EGEARN COc1ccc(C[C@H](C#N)C(=O)Nc2ccccc2F)c(OC)c1 ZINC000057525156 454134802 /nfs/dbraw/zinc/13/48/02/454134802.db2.gz MUPJOTAYEFXBHG-CYBMUJFWSA-N 0 0 328.343 3.164 50 30 EGEARN CN1C(=O)c2ccccc2[C@@H](C(=O)Nc2nc[nH]n2)[C@@H]1c1ccccc1 ZINC000095474269 454220248 /nfs/dbraw/zinc/22/02/48/454220248.db2.gz JUPHXOAVMVZLAO-CVEARBPZSA-N 0 0 347.378 3.003 50 30 EGEARN C=C(C)COc1ccc([C@@H]2CC(=O)Oc3cc(C)[nH]c(=O)c32)cc1 ZINC000096114654 454287438 /nfs/dbraw/zinc/28/74/38/454287438.db2.gz JUQAPPIQTQKQII-HNNXBMFYSA-N 0 0 325.364 3.079 50 30 biogenic EGEARN O=C1C(=NNc2ccccc2)c2ccccc2N1CN1CCCCC1 ZINC000096585598 454374466 /nfs/dbraw/zinc/37/44/66/454374466.db2.gz NAWDUYWOQYMWGL-QOCHGBHMSA-N 0 0 334.423 3.293 50 30 EGEARN CCN(Cc1nc(C(C)C)no1)Cc1ccc(C#CC(C)(C)O)cc1 ZINC000097468048 454437090 /nfs/dbraw/zinc/43/70/90/454437090.db2.gz HCDRVJSIMJBLLO-UHFFFAOYSA-N 0 0 341.455 3.338 50 30 EGEARN COc1ccc([C@@H]2CCCN2c2ncnc3c2cnn3CCC#N)cc1 ZINC000065519863 454583215 /nfs/dbraw/zinc/58/32/15/454583215.db2.gz ZOELHXLBGSOBAY-KRWDZBQOSA-N 0 0 348.410 3.090 50 30 EGEARN Cc1cccnc1[C@H](NC(=O)c1cccc(C#CC(C)(C)O)c1)C1CC1 ZINC000065533388 454586429 /nfs/dbraw/zinc/58/64/29/454586429.db2.gz AWPHNBOIHYPXRZ-HXUWFJFHSA-N 0 0 348.446 3.394 50 30 EGEARN Cc1ccc(C2N=NC(=S)N2N=Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000252429442 455803898 /nfs/dbraw/zinc/80/38/98/455803898.db2.gz QAAZNAUPWJAYRO-UHFFFAOYSA-N 0 0 339.380 3.333 50 30 EGEARN C[C@@]12C[C@@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@H]1CC/C2=C/CO ZINC000257356033 455898043 /nfs/dbraw/zinc/89/80/43/455898043.db2.gz FIMYJWIQTVIDQB-UIFQABLQSA-N 0 0 328.452 3.184 50 30 EGEARN C=CCN(Cc1ccc(C)s1)C(=O)c1ccc(-n2cnnc2)cc1 ZINC000055254009 518779117 /nfs/dbraw/zinc/77/91/17/518779117.db2.gz RKQHKVIFOXUSEP-UHFFFAOYSA-N 0 0 338.436 3.466 50 30 EGEARN C=CCn1c(C)nnc1SCC(=O)Nc1cc(Cl)ccc1C ZINC000004936525 519172896 /nfs/dbraw/zinc/17/28/96/519172896.db2.gz XAVOEUGSAWZHGX-UHFFFAOYSA-N 0 0 336.848 3.465 50 30 EGEARN CCNc1ccccc(C(=O)/C=C/c2ccc(OC)cc2OC)c1=O ZINC000004667360 520337213 /nfs/dbraw/zinc/33/72/13/520337213.db2.gz KGGOWWIGCIUFQJ-ZRDIBKRKSA-N 0 0 339.391 3.392 50 30 EGEARN COc1ccccc1N1CCN(/N=C/C(C)=C/c2ccco2)CC1 ZINC000005494359 524540932 /nfs/dbraw/zinc/54/09/32/524540932.db2.gz INMKDRVMQUZTTE-MJOZVEEZSA-N 0 0 325.412 3.500 50 30 EGEARN COc1ccc2c(c1)CC/C2=N/OC(=O)c1ccc(OC)c(OC)c1 ZINC000005060215 525510032 /nfs/dbraw/zinc/51/00/32/525510032.db2.gz JTJJPLACTCXLMZ-SILNSSARSA-N 0 0 341.363 3.220 50 30 EGEARN Cc1ccccc1OCc1ccc(C=NN2C(=S)N=NC2C)o1 ZINC000036611116 526376612 /nfs/dbraw/zinc/37/66/12/526376612.db2.gz VFTISBRRUFAZRM-RQZCQDPDSA-N 0 0 328.397 3.238 50 30 EGEARN N#CCCn1cc(C(=O)NCc2ccccc2)c(-c2cccs2)n1 ZINC000003410502 526468260 /nfs/dbraw/zinc/46/82/60/526468260.db2.gz VNMJBEQRCBRRHX-UHFFFAOYSA-N 0 0 336.420 3.455 50 30 EGEARN C=CCSc1nc2c(c(=O)[nH]1)[C@H](c1ccc(F)c(F)c1)CC(=O)N2 ZINC000820497024 1319898615 /nfs/dbraw/zinc/89/86/15/1319898615.db2.gz XLTLROWOJIAMGW-VIFPVBQESA-N 0 0 349.362 3.213 50 30 EGEARN C=CCN1C[C@@H](C(=O)N(Cc2ccc(C(C)C)cc2)C2CC2)CC1=O ZINC000952961054 1334625812 /nfs/dbraw/zinc/62/58/12/1334625812.db2.gz CWXCVVWEUKNPNW-SFHVURJKSA-N 0 0 340.467 3.336 50 30 EGEARN CC(C)(O)C#Cc1ccc(C(=O)N2CC[C@@H]2c2ccc(F)cc2)o1 ZINC000952986927 1334631201 /nfs/dbraw/zinc/63/12/01/1334631201.db2.gz GYOHUNCMUVWCJS-MRXNPFEDSA-N 0 0 327.355 3.128 50 30 EGEARN Cc1cc(C)nc(N=NCc2cc3c(cc2Br)OCO3)n1 ZINC000004719362 210257666 /nfs/dbraw/zinc/25/76/66/210257666.db2.gz KAIJZBHQAJQZMS-OMCISZLKSA-N 0 0 349.188 3.031 50 30 EGEARN C=C(C)COc1ccccc1C(=O)N1CCC[C@@H](C(=O)OCC)C1 ZINC000055196917 214287003 /nfs/dbraw/zinc/28/70/03/214287003.db2.gz OAYKMTMMSUZTQR-OAHLLOKOSA-N 0 0 331.412 3.057 50 30 EGEARN C=CCN(Cc1ccccc1Cl)C(=O)c1cnc(NCC)nc1 ZINC000055225006 214291618 /nfs/dbraw/zinc/29/16/18/214291618.db2.gz UUVGQBYSZIVFGJ-UHFFFAOYSA-N 0 0 330.819 3.390 50 30 EGEARN Cc1cc(C(=O)ONC(=N)c2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC000004682070 210246887 /nfs/dbraw/zinc/24/68/87/210246887.db2.gz XRKANVUGEZYQJW-UHFFFAOYSA-N 0 0 333.731 3.034 50 30 EGEARN CCS(=O)(=O)c1cccc(C(=O)Nc2sc(C)c(C)c2C#N)c1 ZINC000004585849 210227322 /nfs/dbraw/zinc/22/73/22/210227322.db2.gz LSWGZRMGTQZWKH-UHFFFAOYSA-N 0 0 348.449 3.283 50 30 EGEARN COC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000100007884 219087971 /nfs/dbraw/zinc/08/79/71/219087971.db2.gz NJXMLQHJFDKLKL-UHFFFAOYSA-N 0 0 328.077 3.263 50 30 EGEARN CSc1nc2n(n1)[C@@H](c1cccc(F)c1)C1C(=O)CCCC1=N2 ZINC000004436095 210192085 /nfs/dbraw/zinc/19/20/85/210192085.db2.gz LNQKGHAKWLJCMY-AWEZNQCLSA-N 0 0 330.388 3.161 50 30 EGEARN CSc1nc2n(n1)[C@H](c1cccc(F)c1)C1C(=O)CCCC1=N2 ZINC000004436091 210191686 /nfs/dbraw/zinc/19/16/86/210191686.db2.gz LNQKGHAKWLJCMY-CQSZACIVSA-N 0 0 330.388 3.161 50 30 EGEARN CN(C)/C=N/c1nc(-c2ccc(Cl)cc2)c(C#N)c(C#N)c1C#N ZINC000100921556 219111576 /nfs/dbraw/zinc/11/15/76/219111576.db2.gz JNWYISOZCLFFRU-LSHDLFTRSA-N 0 0 334.770 3.238 50 30 EGEARN Cc1nc2c(cnn2-c2ccccc2)c(N=NCc2ccc(O)cc2)n1 ZINC000004192866 210142734 /nfs/dbraw/zinc/14/27/34/210142734.db2.gz PFBLAESCUOSMCU-RGVLZGJSSA-N 0 0 344.378 3.276 50 30 EGEARN CO[C@@](F)(C(=O)Nc1sc2c(c1C#N)CCCC2)C(F)(F)F ZINC000003616873 210067877 /nfs/dbraw/zinc/06/78/77/210067877.db2.gz SFDYAXNJXSPGOH-LBPRGKRZSA-N 0 0 336.310 3.312 50 30 EGEARN COc1ccc(NC(=O)CSCc2ccc(C#N)cc2)c(OC)c1 ZINC000003067256 209958715 /nfs/dbraw/zinc/95/87/15/209958715.db2.gz VQDULKXWDOZYKK-UHFFFAOYSA-N 0 0 342.420 3.447 50 30 EGEARN Cc1ccc(S(=O)(=O)N/N=C/C=C/c2ccc(N(C)C)cc2)cc1 ZINC000003001913 209953008 /nfs/dbraw/zinc/95/30/08/209953008.db2.gz WQFFNKLTWFGQOK-FGACYFSBSA-N 0 0 343.452 3.039 50 30 EGEARN Cc1c(-c2cc(-c3ccc(F)c(F)c3)nc(N)c2C#N)cnn1C ZINC000067880930 215239594 /nfs/dbraw/zinc/23/95/94/215239594.db2.gz ZQPGMKSOZOXXER-UHFFFAOYSA-N 0 0 325.322 3.190 50 30 EGEARN N#Cc1c(N)nc2c(c1-c1ccoc1)CN(c1ccc(F)cc1)CC2 ZINC000072165053 283077798 /nfs/dbraw/zinc/07/77/98/283077798.db2.gz GBFYSZMFWROWSJ-UHFFFAOYSA-N 0 0 334.354 3.497 50 30 EGEARN O=c1c2[nH]c3ccccc3c2ncn1/N=C/c1c[nH]c2ccccc12 ZINC000000499312 209636259 /nfs/dbraw/zinc/63/62/59/209636259.db2.gz MUEOPMGWLIWVAP-LSHDLFTRSA-N 0 0 327.347 3.241 50 30 EGEARN COc1cc(OC)c(OC)cc1/C=N/N1C(=O)C[C@@H]1c1ccccc1 ZINC000071281518 215751435 /nfs/dbraw/zinc/75/14/35/215751435.db2.gz DHVWVZSFPIBYAN-RVZJCZPVSA-N 0 0 340.379 3.020 50 30 EGEARN N#Cc1cccnc1SCC(=O)NCc1ccc(F)c(Cl)c1 ZINC000071326951 215761060 /nfs/dbraw/zinc/76/10/60/215761060.db2.gz VFOSRMFZYDUWML-UHFFFAOYSA-N 0 0 335.791 3.154 50 30 EGEARN CC12CN3CN(C1)CC(C)(C3)C2/N=C/c1c[nH]c2cc(Cl)ccc12 ZINC000032103563 212789918 /nfs/dbraw/zinc/78/99/18/212789918.db2.gz NOABJPGSLIOEEX-QPJQQBGISA-N 0 0 342.874 3.224 50 30 EGEARN C#CCOc1cccc([C@H]2CC(=O)Nc3c2cnn3C2CCCC2)c1 ZINC000072117637 216012608 /nfs/dbraw/zinc/01/26/08/216012608.db2.gz HUNYNDKGJKRAMB-QGZVFWFLSA-N 0 0 335.407 3.484 50 30 EGEARN C=CCOc1cc(C(=O)NCCCn2ccnc2)cc2occc21 ZINC000072240255 216079276 /nfs/dbraw/zinc/07/92/76/216079276.db2.gz JDTXARATFGTKKR-UHFFFAOYSA-N 0 0 325.368 3.014 50 30 EGEARN CC1CCC(=NNS(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000000369890 209556589 /nfs/dbraw/zinc/55/65/89/209556589.db2.gz WJTAIUALRDJMCO-UHFFFAOYSA-N 0 0 345.262 3.294 50 30 EGEARN Oc1cccc(/C=N/c2ccc(I)cc2)c1O ZINC000000065264 209397612 /nfs/dbraw/zinc/39/76/12/209397612.db2.gz QGQGEJSXGGYYKY-OVCLIPMQSA-N 0 0 339.132 3.453 50 30 EGEARN COc1ccc(/C=N/N2C(=O)c3ccccc3C2=O)c2ccccc12 ZINC000000065178 209397234 /nfs/dbraw/zinc/39/72/34/209397234.db2.gz HDTLFCFZZXGDTA-CIAFOILYSA-N 0 0 330.343 3.479 50 30 EGEARN CO/N=C1\C[C@H](C)Cc2c1c(-c1ccc(OC)c(OC)c1)nn2C ZINC000005211520 283707541 /nfs/dbraw/zinc/70/75/41/283707541.db2.gz SVAIKXZNZGDSLC-UTMALSRFSA-N 0 0 329.400 3.037 50 30 EGEARN N#Cc1ccc(CCC(=O)NCc2ccnc(-c3ccco3)c2)cc1 ZINC000225655764 241971569 /nfs/dbraw/zinc/97/15/69/241971569.db2.gz QDSVNVNTUAKYLL-UHFFFAOYSA-N 0 0 331.375 3.462 50 30 EGEARN Cc1ccc(CN2CCN(/N=C/c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000020188809 212109728 /nfs/dbraw/zinc/10/97/28/212109728.db2.gz DMNHFELRKXRCRA-XSFVSMFZSA-N 0 0 338.411 3.055 50 30 EGEARN COc1cc(/C=C/C(=O)c2ccc(F)cc2)c(OC)c2c1OCO2 ZINC000015106086 211802934 /nfs/dbraw/zinc/80/29/34/211802934.db2.gz HCRCDHQCNBHHLK-VMPITWQZSA-N 0 0 330.311 3.468 50 30 EGEARN C=CCOc1ccc(/C=c2\sc3nc4ccccc4n3c2=O)cc1 ZINC000013773586 211636033 /nfs/dbraw/zinc/63/60/33/211636033.db2.gz VFJLHNBTVNNKIW-ATVHPVEESA-N 0 0 334.400 3.022 50 30 EGEARN C=CCNC(=O)/C(=C/c1c[nH]c2ccccc12)NC(=O)c1ccccc1 ZINC000013579506 211585856 /nfs/dbraw/zinc/58/58/56/211585856.db2.gz GMPSLMUFGOXCIO-UYRXBGFRSA-N 0 0 345.402 3.241 50 30 EGEARN Cc1cc(N(C)/N=C/c2ccccc2[N+](=O)[O-])nc(Cl)c1C#N ZINC000012446159 211384502 /nfs/dbraw/zinc/38/45/02/211384502.db2.gz OTWBEGHPMDIUSB-GIJQJNRQSA-N 0 0 329.747 3.294 50 30 EGEARN C=CCC(O)(CC=C)[C@@H](C)Nc1nncc(-c2ccc(F)cc2)n1 ZINC000012373156 211359023 /nfs/dbraw/zinc/35/90/23/211359023.db2.gz NNJPIHRIXXNDPB-CYBMUJFWSA-N 0 0 328.391 3.361 50 30 EGEARN N#CC(c1nc2ccccc2nc1Cl)S(=O)(=O)c1cccs1 ZINC000008844420 211010091 /nfs/dbraw/zinc/01/00/91/211010091.db2.gz BLXLDFQAYBOBOG-NSHDSACASA-N 0 0 349.824 3.383 50 30 EGEARN CCc1noc(CN(CC)C(=O)Nc2ccc(C#N)cc2CC)n1 ZINC000095507284 218420037 /nfs/dbraw/zinc/42/00/37/218420037.db2.gz AZWQHWXAXFEYDY-UHFFFAOYSA-N 0 0 327.388 3.120 50 30 EGEARN CC(=O)N1CCC(C(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000006741593 210697529 /nfs/dbraw/zinc/69/75/29/210697529.db2.gz FJPQBWXMLQYJIG-UHFFFAOYSA-N 0 0 345.468 3.086 50 30 EGEARN O=S(=O)(N=C(Nc1ccccc1)C(F)(F)F)c1ccccc1 ZINC000005572177 285034075 /nfs/dbraw/zinc/03/40/75/285034075.db2.gz VXSSBJOUVMZHOK-UHFFFAOYSA-N 0 0 328.315 3.448 50 30 EGEARN C=CCN1c2ccc(Cl)cc2[C@](O)(CC(=O)c2ccc(C)o2)C1=O ZINC000005324476 210438940 /nfs/dbraw/zinc/43/89/40/210438940.db2.gz JMMWDLXQKDUUFU-GOSISDBHSA-N 0 0 345.782 3.235 50 30 EGEARN C=CCOC(=O)Cn1c2ccccc2nc1-c1ccc([N+](=O)[O-])cc1 ZINC000005318099 210437710 /nfs/dbraw/zinc/43/77/10/210437710.db2.gz KDHVPRNQTAURFV-UHFFFAOYSA-N 0 0 337.335 3.341 50 30 EGEARN CC[C@H]1S/C(=N/N=C(/C)c2ccc(Br)cc2)NC1=O ZINC000005061370 210380242 /nfs/dbraw/zinc/38/02/42/210380242.db2.gz CSCSIQBUYKBJIC-OUZNOSRWSA-N 0 0 340.246 3.171 50 30 EGEARN CCCCCNC(=O)[C@H](C#N)c1nc2ccccc2nc1OC(C)C ZINC000005030708 210369234 /nfs/dbraw/zinc/36/92/34/210369234.db2.gz HMFBJAUHRWHSFY-CQSZACIVSA-N 0 0 340.427 3.331 50 30 EGEARN N#Cc1c2c(sc1NC(=O)CSC1=NCCS1)CCCC2 ZINC000000033221 208552074 /nfs/dbraw/zinc/55/20/74/208552074.db2.gz FELKDIILSAVPNN-UHFFFAOYSA-N 0 0 337.495 3.273 50 30 aggregator EGEARN Cc1cc([N+](=O)[O-])ccc1NC=CC(=O)c1ccc2c(c1)OCO2 ZINC000004905346 210318694 /nfs/dbraw/zinc/31/86/94/210318694.db2.gz DNEHCVNDZAUUAU-SREVYHEPSA-N 0 0 326.308 3.440 50 30 EGEARN C=CCOc1cccc(C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])c1 ZINC000004843181 210297742 /nfs/dbraw/zinc/29/77/42/210297742.db2.gz KVAOPAYBXPMKRF-UHFFFAOYSA-N 0 0 328.324 3.421 50 30 EGEARN CN(C)Cc1ccc(C(=O)N2CCC(C#N)(c3ccccc3)CC2)o1 ZINC000097360060 219014856 /nfs/dbraw/zinc/01/48/56/219014856.db2.gz FFKLMGGHZNQREX-UHFFFAOYSA-N 0 0 337.423 3.039 50 30 EGEARN COC(=O)c1cccc(NC2=C(Cl)C(=O)c3ccccc3C2=O)c1 ZINC000000118929 258047545 /nfs/dbraw/zinc/04/75/45/258047545.db2.gz YXFXJSDMAFOQHZ-UHFFFAOYSA-N 0 0 341.750 3.415 50 30 EGEARN C=CCn1c(SCC(=O)OC(C)C)nnc1-c1ccc(F)cc1 ZINC000002439266 258016480 /nfs/dbraw/zinc/01/64/80/258016480.db2.gz XYRDIOBETBYBBG-UHFFFAOYSA-N 0 0 335.404 3.314 50 30 EGEARN CCn1nccc1C(=O)/C=C/c1ccc(OC)c(Cn2cccn2)c1 ZINC000006634673 258052332 /nfs/dbraw/zinc/05/23/32/258052332.db2.gz NHDYKWTZWILGGC-FNORWQNLSA-N 0 0 336.395 3.053 50 30 EGEARN O=S(=O)(N=C(NCc1ccccc1)C(F)(F)F)c1ccccc1 ZINC000003265141 296445479 /nfs/dbraw/zinc/44/54/79/296445479.db2.gz YJSAKONIYWMEEU-UHFFFAOYSA-N 0 0 342.342 3.126 50 30 EGEARN CC(=NC(=S)Nc1ccccc1)NS(=O)(=O)c1ccc(C)cc1 ZINC000017729147 275730688 /nfs/dbraw/zinc/73/06/88/275730688.db2.gz LWZIJQFTNZJZDM-UHFFFAOYSA-N 0 0 347.465 3.309 50 30 EGEARN C=C1C[C@]23C[C@H]1CC[C@H]2[C@@]12CCC[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)OC ZINC000032167749 277814998 /nfs/dbraw/zinc/81/49/98/277814998.db2.gz GKRMJALKMNRHGF-WARWBDHMSA-N 0 0 330.424 3.254 50 30 biogenic,in-vitro EGEARN CN(C)c1ccc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)cc1 ZINC000020228449 289407422 /nfs/dbraw/zinc/40/74/22/289407422.db2.gz LISUACHQUNPFFP-UHFFFAOYSA-N 0 0 336.435 3.454 50 30 EGEARN COc1ccc([C@H]2CC(=O)N(N(C)C)C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000001432861 295247213 /nfs/dbraw/zinc/24/72/13/295247213.db2.gz OIMDJDUMMGVEJC-OAHLLOKOSA-N 0 0 342.439 3.131 50 30 EGEARN N#Cc1c(N)[nH]c(=S)c(C#N)c1-c1ccc(Br)cc1 ZINC000000289324 303176858 /nfs/dbraw/zinc/17/68/58/303176858.db2.gz FYFWIJUSTHHPGG-UHFFFAOYSA-N 0 0 331.198 3.499 50 30 EGEARN N#Cc1cccc(C(=O)N2CC[C@@H](c3noc(-c4ccccc4)n3)C2)c1 ZINC000238838382 455259812 /nfs/dbraw/zinc/25/98/12/455259812.db2.gz HGPJPAHSNKDMGY-QGZVFWFLSA-N 0 0 344.374 3.238 50 30 EGEARN Oc1ccccc1C=NN1CCN(Cc2ccccc2Cl)CC1 ZINC000243893435 455273525 /nfs/dbraw/zinc/27/35/25/455273525.db2.gz ARDWODGNHLSJCV-UHFFFAOYSA-N 0 0 329.831 3.197 50 30 EGEARN CCOC(=O)c1cc(CC)sc1NC(=O)C#Cc1ccccc1 ZINC000000227451 452541612 /nfs/dbraw/zinc/54/16/12/452541612.db2.gz GLOJOSFHPJBMJR-UHFFFAOYSA-N 0 0 327.405 3.477 50 30 EGEARN C=CCc1cc(C=O)c(OC(=O)c2ccc3c(c2)OCO3)c(OC)c1 ZINC000000336966 452566553 /nfs/dbraw/zinc/56/65/53/452566553.db2.gz QIKVMIGZLJTOSI-UHFFFAOYSA-N 0 0 340.331 3.184 50 30 EGEARN CNC(=S)N/N=C/c1cn(Cc2ccccc2F)c2ccccc12 ZINC000000510219 452609999 /nfs/dbraw/zinc/60/99/99/452609999.db2.gz ANSFBWHEPZWDIR-UFFVCSGVSA-N 0 0 340.427 3.257 50 30 EGEARN CN1C(=O)N(C)[C@H](c2cccc([N+](=O)[O-])c2)C2=C1CC(C)(C)CC2=O ZINC000000974760 452638966 /nfs/dbraw/zinc/63/89/66/452638966.db2.gz OESLMOPPNAGXHG-MRXNPFEDSA-N 0 0 343.383 3.276 50 30 EGEARN COc1ccccc1NC(=S)Nc1cc(OC)c(OC)cc1C#N ZINC000001394205 452659079 /nfs/dbraw/zinc/65/90/79/452659079.db2.gz ZNXGSODWLRSTAP-UHFFFAOYSA-N 0 0 343.408 3.393 50 30 EGEARN COc1cccc(OC)c1Oc1cc(C#N)c(C#N)cc1[N+](=O)[O-] ZINC000001427050 452663342 /nfs/dbraw/zinc/66/33/42/452663342.db2.gz STPJPWRSJUVAGS-UHFFFAOYSA-N 0 0 325.280 3.148 50 30 EGEARN O=S(=O)(CCSc1ccc(Cl)cc1)OCC(F)(F)F ZINC000001746555 452676042 /nfs/dbraw/zinc/67/60/42/452676042.db2.gz BREVYARHNDMDFA-UHFFFAOYSA-N 0 0 334.768 3.341 50 30 EGEARN C=CCOc1ccc(C(=O)N[C@H](C)[C@@H]2COc3ccccc3O2)cc1 ZINC000002090206 452685287 /nfs/dbraw/zinc/68/52/87/452685287.db2.gz MSNMEVMJLUCFLP-KUHUBIRLSA-N 0 0 339.391 3.210 50 30 biogenic EGEARN CSc1nc2n(n1)[C@H](c1ccc(F)cc1)C1C(=O)CCCC1=N2 ZINC000004436050 452804073 /nfs/dbraw/zinc/80/40/73/452804073.db2.gz AYIOOYWUWUCYFS-CQSZACIVSA-N 0 0 330.388 3.161 50 30 EGEARN COC(=O)/C=C1/S/C(=N\c2ccccc2)N(Cc2ccco2)C1=O ZINC000004682460 452813373 /nfs/dbraw/zinc/81/33/73/452813373.db2.gz CVARNWQFYPWEKQ-IBZGOXDYSA-N 0 0 342.376 3.100 50 30 EGEARN CCc1ccc(C[C@H]2S/C(=N/N=C/c3cccs3)NC2=O)cc1 ZINC000005961712 452913151 /nfs/dbraw/zinc/91/31/51/452913151.db2.gz PENCTNJKHOJIGG-CLXYIWAZSA-N 0 0 343.477 3.475 50 30 EGEARN Fc1cccc(Cl)c1C=NN1C(=S)N=NC1c1ccccn1 ZINC000006000468 452915595 /nfs/dbraw/zinc/91/55/95/452915595.db2.gz YWKIIQFCTUNCQO-QGMBQPNBSA-N 0 0 333.779 3.304 50 30 EGEARN COC(=O)c1ccc2nc(NC(=O)c3ccc(C#N)cc3)sc2c1 ZINC000006145391 452922131 /nfs/dbraw/zinc/92/21/31/452922131.db2.gz IXDRSSLUFZPDIC-UHFFFAOYSA-N 0 0 337.360 3.207 50 30 EGEARN C=CCn1c2ccccc2nc1Sc1nnnn1-c1ccccc1 ZINC000006185968 452924474 /nfs/dbraw/zinc/92/44/74/452924474.db2.gz PUVLIOYYXCIUGO-UHFFFAOYSA-N 0 0 334.408 3.349 50 30 EGEARN C=CCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@@H]1c1ccc(O)cc1 ZINC000006744567 452980543 /nfs/dbraw/zinc/98/05/43/452980543.db2.gz ZIJFYUMOHSBXJL-IBGZPJMESA-N 0 0 347.374 3.219 50 30 EGEARN O=C1c2ccc([O-])c(C[NH+]3CCCCC3)c2O/C1=C\c1cccnc1 ZINC000013207149 453452095 /nfs/dbraw/zinc/45/20/95/453452095.db2.gz JXDZZHKAQFMUKP-WQRHYEAKSA-N 0 0 336.391 3.389 50 30 EGEARN Oc1cccc(/C=N/N2CCN(Cc3ccccc3Cl)CC2)c1 ZINC000013582113 453472175 /nfs/dbraw/zinc/47/21/75/453472175.db2.gz FYTPQPDGPHCLLX-DEDYPNTBSA-N 0 0 329.831 3.197 50 30 EGEARN C[C@]1(NC(=S)Nc2ccc3ccccc3c2)CCS(=O)(=O)C1 ZINC000013865092 453490709 /nfs/dbraw/zinc/49/07/09/453490709.db2.gz PBYDVOJPMHDHHT-INIZCTEOSA-N 0 0 334.466 3.115 50 30 EGEARN CCN1C(=O)/C(=C\c2ccc(N(C)CCC#N)cc2)SC1=S ZINC000016404985 453604531 /nfs/dbraw/zinc/60/45/31/453604531.db2.gz NBKPZDOLLNYLJU-SDNWHVSQSA-N 0 0 331.466 3.258 50 30 EGEARN COc1ccccc1[C@H]1CC(=O)OC2=C1C(=O)c1ccccc1C2=O ZINC000020760691 453668150 /nfs/dbraw/zinc/66/81/50/453668150.db2.gz RCFWLGVUHKTXJB-CQSZACIVSA-N 0 0 334.327 3.059 50 30 biogenic EGEARN C=C(C)Cn1c2scc(-c3ccc(OC)cc3)c2c(N)nc1=O ZINC000040286167 453949582 /nfs/dbraw/zinc/94/95/82/453949582.db2.gz NPDYCAFGYJLYCI-UHFFFAOYSA-N 0 0 327.409 3.292 50 30 EGEARN C=CC[C@@H]1CC=C[C@@H](C)N1C(=O)c1cnc2sc(C)c(C)n2c1=O ZINC000071707728 454210234 /nfs/dbraw/zinc/21/02/34/454210234.db2.gz QJEMWFGFNLGDJQ-BXUZGUMPSA-N 0 0 343.452 3.108 50 30 EGEARN CCn1cc(-c2cc(-c3cc4ccccn4c3)nc(N)c2C#N)cn1 ZINC000071746204 454212027 /nfs/dbraw/zinc/21/20/27/454212027.db2.gz WJIOCPMEVBJNOR-UHFFFAOYSA-N 0 0 328.379 3.339 50 30 EGEARN CCOc1ccc(-c2cc(-c3c(C)nn(C)c3C)nc(N)c2C#N)cn1 ZINC000071747938 454212917 /nfs/dbraw/zinc/21/29/17/454212917.db2.gz DWWINROONZLDMY-UHFFFAOYSA-N 0 0 348.410 3.014 50 30 EGEARN COc1ccc(OC)c(-c2nc(CN3CCC[C@@H](C#N)C3)c(C)o2)c1 ZINC000071751634 454214573 /nfs/dbraw/zinc/21/45/73/454214573.db2.gz XTOKLMCGLYUNEW-AWEZNQCLSA-N 0 0 341.411 3.403 50 30 EGEARN CCC(C)(C)c1cc(-c2ccccc2OCCO)c(C#N)c(N)n1 ZINC000071763396 454215858 /nfs/dbraw/zinc/21/58/58/454215858.db2.gz LQNWYMVIXDYMFF-UHFFFAOYSA-N 0 0 325.412 3.261 50 30 EGEARN N#Cc1cccc(C(=O)N2CCC[C@@H](c3nccn3CC3CC3)C2)c1 ZINC000095506058 454223962 /nfs/dbraw/zinc/22/39/62/454223962.db2.gz IHQVWUNOBJWQFT-GOSISDBHSA-N 0 0 334.423 3.185 50 30 EGEARN N#Cc1c(/N=C/c2ccc(O)cc2O)sc2c1C1CCN2CC1 ZINC000100255468 454464902 /nfs/dbraw/zinc/46/49/02/454464902.db2.gz YLHBYJQVLCSDKN-DJKKODMXSA-N 0 0 325.393 3.479 50 30 EGEARN C#CCn1c2ccc(F)cc2s/c1=N\C(=O)c1ccccc1OC ZINC000100875408 454467731 /nfs/dbraw/zinc/46/77/31/454467731.db2.gz LJSSSQBTPZTMMF-ZZEZOPTASA-N 0 0 340.379 3.225 50 30 EGEARN CC1(C)[C@H]2CC[C@]1(C)C(=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C2=O ZINC000103722978 454565781 /nfs/dbraw/zinc/56/57/81/454565781.db2.gz MUGWRNJDZWKRAM-MNQFEWIQSA-N 0 0 346.343 3.296 50 30 EGEARN COc1ccc([C@H]2CCCN2c2ncnc3c2cnn3CCC#N)cc1 ZINC000065519866 454582667 /nfs/dbraw/zinc/58/26/67/454582667.db2.gz ZOELHXLBGSOBAY-QGZVFWFLSA-N 0 0 348.410 3.090 50 30 EGEARN CC(C)(C)c1csc([C@H]2CN(c3ncccc3C#N)CCO2)n1 ZINC000065521597 454582919 /nfs/dbraw/zinc/58/29/19/454582919.db2.gz SPIMQQDQFMLLKN-CYBMUJFWSA-N 0 0 328.441 3.285 50 30 EGEARN C=CCCC(=O)NC[C@H]1Cc2c(c(-c3ccncc3)ccc2F)O1 ZINC000011840223 518695258 /nfs/dbraw/zinc/69/52/58/518695258.db2.gz KRSFAIWPKCJSPY-CQSZACIVSA-N 0 0 326.371 3.274 50 30 EGEARN C=CCNC(=O)COc1cccc(-c2noc(-c3cccs3)n2)c1 ZINC000033327448 518895762 /nfs/dbraw/zinc/89/57/62/518895762.db2.gz RZOYMMUQDXOIOU-UHFFFAOYSA-N 0 0 341.392 3.146 50 30 EGEARN C=CCSc1nnc(-c2ccc(=O)n(Cc3ccccc3)c2)o1 ZINC000003052075 519083486 /nfs/dbraw/zinc/08/34/86/519083486.db2.gz FJZRLYDRSYSAQM-UHFFFAOYSA-N 0 0 325.393 3.225 50 30 EGEARN CCOC(=O)/C(=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)C(C)=O ZINC000000358575 520391900 /nfs/dbraw/zinc/39/19/00/520391900.db2.gz OWKYPYCDUDGLHY-GXDHUFHOSA-N 0 0 329.308 3.390 50 30 EGEARN N=C(NOC(=O)c1ccnc(Cl)c1)c1cccc(C(F)(F)F)c1 ZINC000004280897 526810112 /nfs/dbraw/zinc/81/01/12/526810112.db2.gz TXBMYCYNVQWTJR-UHFFFAOYSA-N 0 0 343.692 3.231 50 30 EGEARN C=C(C)COc1ccccc1C(=O)NCCCc1c(C)n[nH]c1C ZINC000055099197 214272019 /nfs/dbraw/zinc/27/20/19/214272019.db2.gz YAUSIHBRSAFRKN-UHFFFAOYSA-N 0 0 327.428 3.344 50 30 EGEARN C#C[C@](C)(CC)NC(=O)/C(=C/c1ccccc1)NC(=O)c1ccccc1 ZINC000004653223 210237957 /nfs/dbraw/zinc/23/79/57/210237957.db2.gz ILUGJIRBUKBUSK-XGHSKXIFSA-N 0 0 346.430 3.376 50 30 EGEARN COc1cc(/C=C2\C(C)=NN(c3ccccc3)C2=O)ccc1OCC#N ZINC000004646508 210236700 /nfs/dbraw/zinc/23/67/00/210236700.db2.gz OVYWLWRPMPCVJS-SFQUDFHCSA-N 0 0 347.374 3.404 50 30 EGEARN Cc1cs/c(=N/C2CCCCC2)n1/N=C/c1ccc(O)c(O)c1O ZINC000101116769 219117088 /nfs/dbraw/zinc/11/70/88/219117088.db2.gz RGGFUBMUOVFZEF-JCAVOIIISA-N 0 0 347.440 3.090 50 30 EGEARN N#Cc1ccccc1C(C(N)=O)(c1ccccc1)c1ccccc1C#N ZINC000004020842 210102072 /nfs/dbraw/zinc/10/20/72/210102072.db2.gz RWBNJQJJVOUXCG-UHFFFAOYSA-N 0 0 337.382 3.250 50 30 EGEARN C=CCN1CCN(c2nccn3nc(-c4ccccc4C)cc23)CC1 ZINC000067285520 215130728 /nfs/dbraw/zinc/13/07/28/215130728.db2.gz QZRLDPDBHGOKCO-UHFFFAOYSA-N 0 0 333.439 3.013 50 30 EGEARN C=CCN1C(=O)/C(=C\c2ccc(OC)c(OCC)c2)SC1=S ZINC000001416041 209743978 /nfs/dbraw/zinc/74/39/78/209743978.db2.gz HUGKIBOIHQQYFT-GXDHUFHOSA-N 0 0 335.450 3.481 50 30 EGEARN Cc1cc(NC(=O)CSc2nc3c(cc2C#N)CCCCC3)no1 ZINC000038141395 213202424 /nfs/dbraw/zinc/20/24/24/213202424.db2.gz IEWDISXALSAZQR-UHFFFAOYSA-N 0 0 342.424 3.249 50 30 EGEARN CCc1nn(-c2cc(Oc3cc(C)cc(C)c3)ncn2)c(N)c1C#N ZINC000036470947 213099655 /nfs/dbraw/zinc/09/96/55/213099655.db2.gz YCETVBGVEUTEQS-UHFFFAOYSA-N 0 0 334.383 3.088 50 30 EGEARN COc1c2c(cc(/C=C/C(=O)c3ccc(F)cc3)c1OC)OCO2 ZINC000035325006 213021808 /nfs/dbraw/zinc/02/18/08/213021808.db2.gz JHZCDBATQCAPPM-VMPITWQZSA-N 0 0 330.311 3.468 50 30 EGEARN C=CCNC(=O)COc1cccc(-c2noc(-c3ccc(C)cc3)n2)c1 ZINC000033327256 212926516 /nfs/dbraw/zinc/92/65/16/212926516.db2.gz UHNJAOUAXAOJAQ-UHFFFAOYSA-N 0 0 349.390 3.393 50 30 EGEARN COc1ccc2ccccc2c1/C=N/N1C(=O)c2ccccc2C1=O ZINC000000250672 209504591 /nfs/dbraw/zinc/50/45/91/209504591.db2.gz OVFVEZFVGFVKPH-CIAFOILYSA-N 0 0 330.343 3.479 50 30 EGEARN Cn1c2ccc(/N=C/c3c(O)ccc4ccccc43)cc2n(C)c1=O ZINC000000061773 209395640 /nfs/dbraw/zinc/39/56/40/209395640.db2.gz JTRGNNFQKZEFOJ-CIAFOILYSA-N 0 0 331.375 3.486 50 30 EGEARN N#Cc1cccnc1N[C@@H]1CCCN(c2ccc(C(F)(F)F)cn2)C1 ZINC000072436160 216230863 /nfs/dbraw/zinc/23/08/63/216230863.db2.gz BLGNZGRHSQRGNF-CQSZACIVSA-N 0 0 347.344 3.448 50 30 EGEARN COC(=O)c1ccc([C@H]2c3c(C)noc3NC3=C2C(=O)CCC3)cc1 ZINC000012804473 284569930 /nfs/dbraw/zinc/56/99/30/284569930.db2.gz UOPSCFTWGGBLTN-INIZCTEOSA-N 0 0 338.363 3.334 50 30 EGEARN CC/N=C1\S[C@@H](C(=O)Nc2ccc(Cl)cc2)CC(=O)N1CC ZINC000012628405 211425866 /nfs/dbraw/zinc/42/58/66/211425866.db2.gz OCRFLCKUTVWREO-UWENYHRYSA-N 0 0 339.848 3.008 50 30 EGEARN COCCOc1nc(-c2ccccc2)c2c(c1C#N)CC(C)(C)OC2 ZINC000012324994 211347709 /nfs/dbraw/zinc/34/77/09/211347709.db2.gz YAGAYLADNLYNNR-UHFFFAOYSA-N 0 0 338.407 3.497 50 30 EGEARN COCCOc1nc(-c2ccco2)c2c(c1C#N)CC(C)(C)OC2 ZINC000012324799 211347379 /nfs/dbraw/zinc/34/73/79/211347379.db2.gz YUPRKJJOJHNYIU-UHFFFAOYSA-N 0 0 328.368 3.090 50 30 EGEARN Cc1sc(NC(=O)[C@@H](C)Sc2cc(C)ncn2)c(C#N)c1C ZINC000012000665 211277888 /nfs/dbraw/zinc/27/78/88/211277888.db2.gz CDOKYDVZPADWBM-LLVKDONJSA-N 0 0 332.454 3.454 50 30 EGEARN COc1cc(/C=C2\Oc3cc(C)cc(O)c3C2=O)cc(OC)c1OC ZINC000011865204 211260426 /nfs/dbraw/zinc/26/04/26/211260426.db2.gz JDRJCYWUJBTKOO-AUWJEWJLSA-N 0 0 342.347 3.343 50 30 biogenic EGEARN CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1c1nc(C#N)c(N2CCOCC2)o1 ZINC000008915977 211017501 /nfs/dbraw/zinc/01/75/01/211017501.db2.gz LJMPDXBGTWWXJV-BXKDBHETSA-N 0 0 342.226 3.441 50 30 EGEARN CCCCCCN1C(=O)C(O)=C(C(C)=O)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000008465627 210953575 /nfs/dbraw/zinc/95/35/75/210953575.db2.gz UXJIWGFMOOJHPL-MRXNPFEDSA-N 0 0 346.383 3.460 50 30 EGEARN O=C1CS/C(=N\N=C\c2ccccc2)N1Cc1ccc(F)cc1 ZINC000002360048 284831361 /nfs/dbraw/zinc/83/13/61/284831361.db2.gz YWQJIXHGWKYBAB-HCDAPJTOSA-N 0 0 327.384 3.291 50 30 EGEARN CSCCc1[nH]c(SCC(=O)Nc2ccccc2C#N)nc1C ZINC000006607243 210661333 /nfs/dbraw/zinc/66/13/33/210661333.db2.gz MUFWMFPCRMKBST-UHFFFAOYSA-N 0 0 346.481 3.226 50 30 EGEARN O=C1N/C(=N\c2ccc(F)cc2)S/C1=C\c1ccc2c(c1)OCO2 ZINC000005551734 296354286 /nfs/dbraw/zinc/35/42/86/296354286.db2.gz DATRBBIPTFEIBI-NVNXTCNLSA-N 0 0 342.351 3.446 50 30 EGEARN CC(C)Oc1ccc(N2CC(=O)C(c3nc4ccccc4[nH]3)=C2N)cc1 ZINC000005009289 210361212 /nfs/dbraw/zinc/36/12/12/210361212.db2.gz ZPMNLMAQYDAQAM-UHFFFAOYSA-N 0 0 348.406 3.067 50 30 EGEARN N#Cc1ccnc(-c2ccc(C(=O)N(CCO)C3CCCCC3)cc2)c1 ZINC000426584877 257962291 /nfs/dbraw/zinc/96/22/91/257962291.db2.gz UFBHQINLKVARSK-UHFFFAOYSA-N 0 0 349.434 3.387 50 30 EGEARN C=CCNC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccc(F)cc1 ZINC000012380913 258017623 /nfs/dbraw/zinc/01/76/23/258017623.db2.gz BNWJEHCBABPUGY-CYBMUJFWSA-N 0 0 342.370 3.148 50 30 EGEARN C=CCn1nnc(NC(=O)c2ccc(-c3cccc(Cl)c3)o2)n1 ZINC000010148861 258018279 /nfs/dbraw/zinc/01/82/79/258018279.db2.gz JLSDKTRZIGURGO-UHFFFAOYSA-N 0 0 329.747 3.025 50 30 EGEARN CCCNC(=O)c1c(/N=C/c2ccccc2C(F)(F)F)cnn1C ZINC000002797919 258050206 /nfs/dbraw/zinc/05/02/06/258050206.db2.gz BHIUGNAHSOFCPA-ZVBGSRNCSA-N 0 0 338.333 3.329 50 30 EGEARN Cc1ccc(C)c(NC2=CSc3nnc(C(F)(F)F)n3N2)c1 ZINC000027028818 258057866 /nfs/dbraw/zinc/05/78/66/258057866.db2.gz XUWSBZDYVUJPBD-UHFFFAOYSA-N 0 0 327.335 3.293 50 30 EGEARN N#Cc1c2nc3ccccc3n2c(N2CCOCC2)c2c1CCCC2 ZINC000000045604 274918627 /nfs/dbraw/zinc/91/86/27/274918627.db2.gz UWKMGBPWOMPPFO-UHFFFAOYSA-N 0 0 332.407 3.075 50 30 EGEARN CCc1ncc(-c2c(C#N)c(N)nc3c2CCc2c(O)cccc2-3)cn1 ZINC000071753347 276696078 /nfs/dbraw/zinc/69/60/78/276696078.db2.gz VYUYEWUCCBGMIE-UHFFFAOYSA-N 0 0 343.390 3.026 50 30 EGEARN C=CCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccccc1Cl)CC(=O)N2 ZINC000004944218 276906758 /nfs/dbraw/zinc/90/67/58/276906758.db2.gz CDFMTQYAQKEHOT-SNVBAGLBSA-N 0 0 347.827 3.176 50 30 EGEARN C=CCN1c2ccccc2[C@@]2(NCCc3c4cc(F)ccc4[nH]c32)C1=O ZINC000020064210 277861922 /nfs/dbraw/zinc/86/19/22/277861922.db2.gz PCFMPFDVGZSEFI-NRFANRHFSA-N 0 0 347.393 3.229 50 30 biogenic EGEARN O=C1N/C(=N/c2ccccc2)S/C1=C\c1ccccc1[N+](=O)[O-] ZINC000002756875 280276649 /nfs/dbraw/zinc/27/66/49/280276649.db2.gz KEJUXEVYTWYCHK-UVTDQMKNSA-N 0 0 325.349 3.486 50 30 EGEARN COc1ccc([C@H]2[C@@H](C(C)C)C(=O)CC(C#N)(C#N)C2(C#N)C#N)cc1 ZINC000000506981 295252330 /nfs/dbraw/zinc/25/23/30/295252330.db2.gz ROFNYPZDFRHARM-ROUUACIJSA-N 0 0 346.390 3.091 50 30 EGEARN O=C1CCCC2=C1C(c1ccncc1Cl)C1=C(CCCC1=O)N2 ZINC000025694854 304623558 /nfs/dbraw/zinc/62/35/58/304623558.db2.gz AQVROVNQBCNBKP-UHFFFAOYSA-N 0 0 328.799 3.436 50 30 EGEARN Cc1ccccc1OCc1nc(C#N)c(N2C[C@@H](C)O[C@H](C)C2)o1 ZINC000000108619 452510908 /nfs/dbraw/zinc/51/09/08/452510908.db2.gz QXUHKKVFLBLWAA-ZIAGYGMSSA-N 0 0 327.384 3.047 50 30 EGEARN O=C(O/N=C/c1ccc([N+](=O)[O-])o1)c1ccccc1Br ZINC000000284497 452555520 /nfs/dbraw/zinc/55/55/20/452555520.db2.gz SEDSNYYHJUUSFJ-VGOFMYFVSA-N 0 0 339.101 3.141 50 30 EGEARN COC(=O)c1ccc2c(c1)C(=O)/C(=C/c1ccc(OC)cc1OC)O2 ZINC000000429861 452590678 /nfs/dbraw/zinc/59/06/78/452590678.db2.gz ACQNDKXMOBGYKN-MFOYZWKCSA-N 0 0 340.331 3.107 50 30 biogenic,in-vitro EGEARN C=CCn1c2ccccc2nc1N1C(=O)C[C@@H](Cc2ccccc2)C1=O ZINC000000529361 452614783 /nfs/dbraw/zinc/61/47/83/452614783.db2.gz RHYPBGIAQHMDKS-MRXNPFEDSA-N 0 0 345.402 3.345 50 30 EGEARN COc1ccc(N2C(=O)C(=O)C(=C(C)O)[C@@H]2c2ccccc2F)cc1 ZINC000000549044 452621113 /nfs/dbraw/zinc/62/11/13/452621113.db2.gz WPFMHFXJFBZQDV-KRWDZBQOSA-N 0 0 341.338 3.323 50 30 EGEARN CCOC(=O)c1sc(NC(=O)c2ccc(OC)cc2)c(C#N)c1C ZINC000001965032 452682557 /nfs/dbraw/zinc/68/25/57/452682557.db2.gz OXGKKUXDZQXILT-UHFFFAOYSA-N 0 0 344.392 3.366 50 30 EGEARN C=CCOC(=O)C1=C(C)N=C2S[C@H](C)C(=O)N2[C@@H]1c1ccccc1 ZINC000002463601 452699153 /nfs/dbraw/zinc/69/91/53/452699153.db2.gz RCILNRDSPVBPFY-IUODEOHRSA-N 0 0 342.420 3.064 50 30 EGEARN CCNC(=S)N/N=C/c1ccc(OC(=O)c2ccccc2C)cc1 ZINC000002521698 452701268 /nfs/dbraw/zinc/70/12/68/452701268.db2.gz VKWDTARLSGRUHY-UDWIEESQSA-N 0 0 341.436 3.032 50 30 EGEARN CSc1nc2n(n1)[C@H](c1cccc(C)c1)C1C(=O)CCCC1=N2 ZINC000004436081 452803664 /nfs/dbraw/zinc/80/36/64/452803664.db2.gz AFMQMRCPSXSRKR-OAHLLOKOSA-N 0 0 326.425 3.330 50 30 EGEARN COC(=O)/C=C1/S/C(=N\c2ccccc2)N(CCC(C)C)C1=O ZINC000004682463 452812019 /nfs/dbraw/zinc/81/20/19/452812019.db2.gz BJCGMJODOWWOFA-ORFSPIAFSA-N 0 0 332.425 3.353 50 30 EGEARN C=CCn1c(=S)sc2c1ncnc2N=NCc1cccnc1 ZINC000005725902 452897580 /nfs/dbraw/zinc/89/75/80/452897580.db2.gz UVMUEYKEPOUXPT-QGMBQPNBSA-N 0 0 328.426 3.249 50 30 EGEARN N=C1NC(=Nc2ccc(I)cc2)c2ccccc21 ZINC000005731778 452898969 /nfs/dbraw/zinc/89/89/69/452898969.db2.gz GMTVRYVNEYBARM-UHFFFAOYSA-N 0 0 347.159 3.088 50 30 EGEARN COC(=O)COc1ccc2c(c1)O/C(=C\C=C\c1ccccc1)C2=O ZINC000005956727 452912221 /nfs/dbraw/zinc/91/22/21/452912221.db2.gz XNVBXOGGXOAATM-WIXUPIFPSA-N 0 0 336.343 3.411 50 30 biogenic EGEARN O=C1Nc2ccccc2/C1=N\c1ccc(I)cc1 ZINC000006534236 452950514 /nfs/dbraw/zinc/95/05/14/452950514.db2.gz GCHQBRYRLIOPLP-UHFFFAOYSA-N 0 0 348.143 3.364 50 30 EGEARN CC1(C)Cc2c(C#N)c(NC(=O)NCc3ccccn3)sc2CO1 ZINC000006672069 452966559 /nfs/dbraw/zinc/96/65/59/452966559.db2.gz CAPUVMMTOBQMBT-UHFFFAOYSA-N 0 0 342.424 3.188 50 30 EGEARN C=CCSc1ncc(Cl)c(C(=O)Nc2nnc(CC)s2)n1 ZINC000006748090 452981784 /nfs/dbraw/zinc/98/17/84/452981784.db2.gz VZGYNRQMFNHYCM-UHFFFAOYSA-N 0 0 341.849 3.074 50 30 EGEARN C#CCn1c2ccccc2nc1[C@@H]1CC(=O)N(Cc2ccc(F)cc2)C1 ZINC000007542989 453085575 /nfs/dbraw/zinc/08/55/75/453085575.db2.gz ZEWGLXVPCVQNHO-MRXNPFEDSA-N 0 0 347.393 3.325 50 30 EGEARN COc1cccc(-c2cc(C(=O)Nc3nn[nH]n3)c3ccccc3n2)c1 ZINC000008495094 453208590 /nfs/dbraw/zinc/20/85/90/453208590.db2.gz VJRKLONJZKHAEU-UHFFFAOYSA-N 0 0 346.350 3.060 50 30 EGEARN CCOc1cccc(/C=N\N2CCN(c3ccc(C)cc3)CC2)c1O ZINC000015685357 453583415 /nfs/dbraw/zinc/58/34/15/453583415.db2.gz BCYNWCRXOAVCPB-QNGOZBTKSA-N 0 0 339.439 3.255 50 30 EGEARN N#Cc1ccc(C(=O)NCC2(c3ccc(F)cc3)CCOCC2)cc1 ZINC000016971556 453625511 /nfs/dbraw/zinc/62/55/11/453625511.db2.gz NTEGGWIWPTXVKU-UHFFFAOYSA-N 0 0 338.382 3.176 50 30 EGEARN Cc1ccc(OCc2nc(C#N)c(NCCCn3ccnc3)o2)cc1 ZINC000017440270 453635114 /nfs/dbraw/zinc/63/51/14/453635114.db2.gz HYCRCMDCKQRMDW-UHFFFAOYSA-N 0 0 337.383 3.132 50 30 EGEARN Cc1ccc(OCc2nc(C#N)c(N3C[C@@H](C)O[C@@H](C)C3)o2)cc1 ZINC000018066328 453641830 /nfs/dbraw/zinc/64/18/30/453641830.db2.gz STCVSAJKSOLTLV-OKILXGFUSA-N 0 0 327.384 3.047 50 30 EGEARN Cc1cc(C)cc(O[C@H](C)c2ccnc3nc(/N=C/N(C)C)nn32)c1 ZINC000018045587 453642244 /nfs/dbraw/zinc/64/22/44/453642244.db2.gz HISMRUWQMRIUPQ-XLTHYULKSA-N 0 0 338.415 3.103 50 30 EGEARN COc1ccc(/N=C2\NC(=O)/C(=C/c3ccc(O)cc3)S2)cc1 ZINC000018272329 453650270 /nfs/dbraw/zinc/65/02/70/453650270.db2.gz HUVCKNGQOKJXCM-GDNBJRDFSA-N 0 0 326.377 3.292 50 30 EGEARN N#Cc1cccnc1N1CCC[C@@](CO)(Cc2ccc(F)cc2F)C1 ZINC000067541014 453940974 /nfs/dbraw/zinc/94/09/74/453940974.db2.gz CRROJHHVDPFORL-LJQANCHMSA-N 0 0 343.377 3.053 50 30 EGEARN COc1ccc(-c2cc(C(=O)Nc3ccc(C#N)cc3)n[nH]2)c(OC)c1 ZINC000057412919 454126159 /nfs/dbraw/zinc/12/61/59/454126159.db2.gz FPZGNEDRLLHZST-UHFFFAOYSA-N 0 0 348.362 3.218 50 30 EGEARN Cc1csc([C@H]2CN(Cc3cn4ccccc4c3C#N)CCO2)n1 ZINC000097199339 454422030 /nfs/dbraw/zinc/42/20/30/454422030.db2.gz PVDGJNUXQXCEIU-QGZVFWFLSA-N 0 0 338.436 3.149 50 30 EGEARN N#Cc1cc(NC(=O)c2ccc(F)cc2)c(=O)n2c3ccccc3[nH]c12 ZINC000100641446 454466764 /nfs/dbraw/zinc/46/67/64/454466764.db2.gz HZGNRUPAEORLKQ-UHFFFAOYSA-N 0 0 346.321 3.044 50 30 EGEARN C#CCn1c2c(cccc2C)s/c1=N\C(=O)c1ccc(OC)cc1 ZINC000100909917 454468498 /nfs/dbraw/zinc/46/84/98/454468498.db2.gz NNHACYCODNYQCL-VXPUYCOJSA-N 0 0 336.416 3.394 50 30 EGEARN CCCCCCCCCCC[C@@H](O)CC(=O)N[C@@H]1CCOC1=O ZINC000101234518 454469539 /nfs/dbraw/zinc/46/95/39/454469539.db2.gz IKQUESGRCDRZTI-HZPDHXFCSA-N 0 0 327.465 3.090 50 30 EGEARN Cc1ccc(/C(=N\c2ccccc2)NC(=S)N2CCOCC2)cc1 ZINC000170623465 454944132 /nfs/dbraw/zinc/94/41/32/454944132.db2.gz NIPCRIHJSCQSGP-UHFFFAOYSA-N 0 0 339.464 3.280 50 30 EGEARN CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@H](O)C[C@@]12C ZINC000257359028 455897675 /nfs/dbraw/zinc/89/76/75/455897675.db2.gz XYVVSFGOAQGVRE-VBANPHMBSA-N 0 0 328.452 3.470 50 30 EGEARN N#C[C@@H]1CCCN(C(=O)NCc2ccc(C(F)(F)F)cc2F)C1 ZINC000426584828 457859266 /nfs/dbraw/zinc/85/92/66/457859266.db2.gz PURLKIQKFOPWNR-JTQLQIEISA-N 0 0 329.297 3.290 50 30 EGEARN CCOC(=O)[C@@H](C#N)c1nnc(-c2ccccc2)c(-c2ccccc2)n1 ZINC000023114655 520998522 /nfs/dbraw/zinc/99/85/22/520998522.db2.gz KDWCQZSXFUCTDL-INIZCTEOSA-N 0 0 344.374 3.376 50 30 EGEARN Nc1ccccc1C(=O)OC/C(=N\O)c1ccc(Br)cc1 ZINC000102519924 527524922 /nfs/dbraw/zinc/52/49/22/527524922.db2.gz DRRJEIFJHNTRME-NBVRZTHBSA-N 0 0 349.184 3.067 50 30 EGEARN CCC/C(=N\OCC)[C@H]1C(=O)CC(C)(C)[C@@H](c2cc(C)no2)C1=O ZINC000102909765 1292985859 /nfs/dbraw/zinc/98/58/59/1292985859.db2.gz PRMMBWKGPFIKKP-BXRKRMDBSA-N 0 0 334.416 3.444 50 30 EGEARN C=CCn1ncc(CN2CCN(c3cccc(Cl)c3)CC2)c1C ZINC000820505290 1319900274 /nfs/dbraw/zinc/90/02/74/1319900274.db2.gz ORSHZWVOXHDTST-UHFFFAOYSA-N 0 0 330.863 3.353 50 30 EGEARN CC(C)(O)C#Cc1ccc(C(=O)N2CCCC[C@@H]2c2nccs2)o1 ZINC000952973475 1334627729 /nfs/dbraw/zinc/62/77/29/1334627729.db2.gz LGWNXSPSPGRYCO-CQSZACIVSA-N 0 0 344.436 3.226 50 30 EGEARN CCCCN(CC#Cc1ccccc1)C(=O)c1c(C)nc2ncccn21 ZINC000055252420 214295512 /nfs/dbraw/zinc/29/55/12/214295512.db2.gz UBJAEHPRNJWVAB-UHFFFAOYSA-N 0 0 346.434 3.332 50 30 EGEARN C=CCN(Cc1ccccc1Cl)C(=O)CN1CCCCCC1=O ZINC000055325335 214307544 /nfs/dbraw/zinc/30/75/44/214307544.db2.gz XIRKNDNHXXIFTN-UHFFFAOYSA-N 0 0 334.847 3.257 50 30 EGEARN C=CCOc1ccc(C(=O)N[C@@H](C)c2nc(CC)no2)cc1OCC ZINC000055401076 214318253 /nfs/dbraw/zinc/31/82/53/214318253.db2.gz NDFAMDXWXYLMJJ-LBPRGKRZSA-N 0 0 345.399 3.087 50 30 EGEARN COc1cc(CN=Nc2nc(C)cs2)cc(Br)c1O ZINC000004338826 210175155 /nfs/dbraw/zinc/17/51/55/210175155.db2.gz USNWNIBLXPNKFY-LHHJGKSTSA-N 0 0 342.218 3.374 50 30 EGEARN NC(=S)N/N=C/c1c(OC(=O)c2ccccc2)ccc2ccccc21 ZINC000004282254 210160883 /nfs/dbraw/zinc/16/08/83/210160883.db2.gz FPOHNEGIUQAAJM-CIAFOILYSA-N 0 0 349.415 3.226 50 30 EGEARN COc1cccc(NC2=C(N3CCCC3)C(=O)c3ccccc3C2=O)c1 ZINC000004173695 210138009 /nfs/dbraw/zinc/13/80/09/210138009.db2.gz ILEQPDNBSMYVRQ-UHFFFAOYSA-N 0 0 348.402 3.494 50 30 EGEARN Cc1ccc(NC(=O)[C@H]2CCCN2/C=C/C(=O)C(F)(F)F)cc1C ZINC000004119709 210125298 /nfs/dbraw/zinc/12/52/98/210125298.db2.gz DETNJZDPAWXEMO-RCQQVGEISA-N 0 0 340.345 3.351 50 30 EGEARN N#Cc1ccccc1COc1ccc(/C=C2\SC(=N)NC2=O)cc1 ZINC000004103685 210121257 /nfs/dbraw/zinc/12/12/57/210121257.db2.gz ZRHABYDAHXFPPS-SXGWCWSVSA-N 0 0 335.388 3.276 50 30 EGEARN Oc1ccc(Br)cc1C=NN=c1[nH]c2ccccc2[nH]1 ZINC000003902926 210089244 /nfs/dbraw/zinc/08/92/44/210089244.db2.gz QVZBZEXZDHJZAW-LZYBPNLTSA-N 0 0 331.173 3.477 50 30 EGEARN COc1ccc([C@H]2C3C(=O)CCCC3=Nc3c(C#N)cnn32)cc1O ZINC000102841669 219234939 /nfs/dbraw/zinc/23/49/39/219234939.db2.gz ROZKVZNRMQTWLS-KRWDZBQOSA-N 0 0 336.351 3.140 50 30 EGEARN CC(=O)C(=C1CCCCCN1)S(=O)(=O)c1ccccc1Cl ZINC000067340904 215134625 /nfs/dbraw/zinc/13/46/25/215134625.db2.gz OJYDLLQFNDVMNH-SQFISAMPSA-N 0 0 327.833 3.078 50 30 EGEARN C=CCNC(=S)N/N=C/c1ccc(OCc2ccccc2)cc1 ZINC000002969198 209947523 /nfs/dbraw/zinc/94/75/23/209947523.db2.gz SCNLBENVNUGTGE-DEDYPNTBSA-N 0 0 325.437 3.250 50 30 EGEARN C=CCn1nc(C(=O)[O-])c2c1CC[C@@H]([N@H+](C)Cc1sccc1C)C2 ZINC000067910119 215248015 /nfs/dbraw/zinc/24/80/15/215248015.db2.gz UXMBBQJBMXUAAF-CYBMUJFWSA-N 0 0 345.468 3.127 50 30 EGEARN CC[NH+](CC)CC#CCC(C(=O)C(C)(C)OC)=C([O-])c1ccccc1 ZINC000103402332 219296891 /nfs/dbraw/zinc/29/68/91/219296891.db2.gz MBBZGOIEMWMOAS-SFHVURJKSA-N 0 0 343.467 3.215 50 30 EGEARN Oc1ccc(C=NN2C(=S)N=NC2c2ccccc2Cl)cc1O ZINC000001287613 209722090 /nfs/dbraw/zinc/72/20/90/209722090.db2.gz DQPMCLUMMMRZLW-CAOOACKPSA-N 0 0 346.799 3.181 50 30 EGEARN CC(O)=C1C(=O)C(=O)N(c2nccs2)[C@H]1c1ccc(Cl)cc1 ZINC000000450241 209608393 /nfs/dbraw/zinc/60/83/93/209608393.db2.gz IHILZCUTYQDRNT-LBPRGKRZSA-N 0 0 334.784 3.286 50 30 EGEARN CCSc1nncn1/N=C/c1ccc(COc2ccccc2)o1 ZINC000036611494 213100916 /nfs/dbraw/zinc/10/09/16/213100916.db2.gz WBAYGESLLSGTEH-VCHYOVAHSA-N 0 0 328.397 3.444 50 30 EGEARN N#Cc1ccc(C(=O)N2CC[C@@H](Oc3ccc4ccccc4n3)C2)cc1 ZINC000225738881 242012673 /nfs/dbraw/zinc/01/26/73/242012673.db2.gz OAHMUZTYSYAYCI-GOSISDBHSA-N 0 0 343.386 3.400 50 30 EGEARN CCc1nc(N)c(C#N)c(-c2ccc(OC)c(OC)c2OC)c1C ZINC000020357456 212122386 /nfs/dbraw/zinc/12/23/86/212122386.db2.gz NYCAPCKAVIMKTE-UHFFFAOYSA-N 0 0 327.384 3.099 50 30 EGEARN CNc1ccccc(C(=O)/C=C/c2ccc(OC)c(OC)c2)c1=O ZINC000019909664 212082751 /nfs/dbraw/zinc/08/27/51/212082751.db2.gz XRQPJPSHTLSDMV-CSKARUKUSA-N 0 0 325.364 3.002 50 30 EGEARN Cc1cccc(CC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000377511346 169034097 /nfs/dbraw/zinc/03/40/97/169034097.db2.gz NDPOPJLMJQBSBJ-UHFFFAOYSA-N 0 0 347.462 3.144 50 30 EGEARN CC#CC(=O)N[C@H]1CC(C)(C)Cc2c1cnn2-c1ccc(OC)cc1 ZINC000012438953 211381808 /nfs/dbraw/zinc/38/18/08/211381808.db2.gz QDRWVXCSSKTZHC-KRWDZBQOSA-N 0 0 337.423 3.034 50 30 EGEARN CCOC(=O)CCCOc1nc(-c2ccco2)c2c(c1C#N)CCC2 ZINC000012324740 211347964 /nfs/dbraw/zinc/34/79/64/211347964.db2.gz MCMVILQTUAALJQ-UHFFFAOYSA-N 0 0 340.379 3.424 50 30 EGEARN C=CCC(=O)NC[C@H]1Cc2c(ccc3cc(-c4ncccn4)ccc23)O1 ZINC000012038323 211282555 /nfs/dbraw/zinc/28/25/55/211282555.db2.gz INKSUKQSJPSKGE-MRXNPFEDSA-N 0 0 345.402 3.293 50 30 EGEARN O=C(CC1=C(c2ccccc2)CCC1=O)N1CCC[C@]2(CCOC2)C1 ZINC000091547086 218020832 /nfs/dbraw/zinc/02/08/32/218020832.db2.gz UIQKYHSQAGIRAM-NRFANRHFSA-N 0 0 339.435 3.222 50 30 EGEARN N#CC1(c2ccccc2)CCN(C(=O)c2ccc3nccn3c2)CC1 ZINC000091562899 218022841 /nfs/dbraw/zinc/02/28/41/218022841.db2.gz ABTIZCLQGFEDHW-UHFFFAOYSA-N 0 0 330.391 3.032 50 30 EGEARN C=CC[C@@]1(C(=O)[O-])CCC[N@H+](Cc2ccc(C(F)(F)F)nc2)C1 ZINC000091745424 218057248 /nfs/dbraw/zinc/05/72/48/218057248.db2.gz FIOGNQRICZJWES-OAHLLOKOSA-N 0 0 328.334 3.343 50 30 EGEARN N#Cc1ccnc(N2CC[C@@]3(C2)CCCN(C2CCCCC2)C3=O)c1 ZINC000092080614 218117365 /nfs/dbraw/zinc/11/73/65/218117365.db2.gz HOSCKFRFNRLYKH-HXUWFJFHSA-N 0 0 338.455 3.105 50 30 EGEARN CC(C)OCCCn1c(N)c(C#N)c2c(c1=S)COC(C)(C)C2 ZINC000009183854 211048032 /nfs/dbraw/zinc/04/80/32/211048032.db2.gz SKUGOFVTSPFYDO-UHFFFAOYSA-N 0 0 335.473 3.338 50 30 EGEARN CC(C)n1ncc([C@@H](C#N)c2nc3ccccc3n2C)c(Cl)c1=O ZINC000009059775 211036751 /nfs/dbraw/zinc/03/67/51/211036751.db2.gz INKHCGRDKNHZGZ-LLVKDONJSA-N 0 0 341.802 3.020 50 30 EGEARN COC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1ccccc1F)C2=O ZINC000009051885 211034774 /nfs/dbraw/zinc/03/47/74/211034774.db2.gz XQVWQRMRXOICIY-PKSBALPTSA-N 0 0 342.322 3.382 50 30 EGEARN CCn1c(SCC(=O)c2ccc(C#N)cc2)nnc1-c1cccnc1 ZINC000008883084 211016239 /nfs/dbraw/zinc/01/62/39/211016239.db2.gz FIPJDFPOHZAWDI-UHFFFAOYSA-N 0 0 349.419 3.207 50 30 EGEARN N#CC(c1nc2ccccc2nc1Cl)S(=O)(=O)c1cccs1 ZINC000008844419 211010554 /nfs/dbraw/zinc/01/05/54/211010554.db2.gz BLXLDFQAYBOBOG-LLVKDONJSA-N 0 0 349.824 3.383 50 30 EGEARN CCOc1cccc(C2N=NC(=S)N2N=Cc2ccc(C)o2)c1 ZINC000005906928 210557859 /nfs/dbraw/zinc/55/78/59/210557859.db2.gz IWCAGALLNNRXDG-LICLKQGHSA-N 0 0 328.397 3.416 50 30 EGEARN CCOC(=O)c1ccc(-c2ccc(/C=N/C(=S)C(N)=S)o2)cc1 ZINC000005474438 210471439 /nfs/dbraw/zinc/47/14/39/210471439.db2.gz AXLIHYBVZFGCSD-GIJQJNRQSA-N 0 0 346.433 3.156 50 30 EGEARN N#Cc1cccc(NC(=O)COC(=O)c2ccc(C(F)(F)F)cc2)c1 ZINC000005111683 210391514 /nfs/dbraw/zinc/39/15/14/210391514.db2.gz XJAWLABWGWHUIY-UHFFFAOYSA-N 0 0 348.280 3.373 50 30 EGEARN CCCCCNC(=O)[C@@H](C#N)c1nc2ccccc2nc1OC(C)C ZINC000005030704 210368413 /nfs/dbraw/zinc/36/84/13/210368413.db2.gz HMFBJAUHRWHSFY-AWEZNQCLSA-N 0 0 340.427 3.331 50 30 EGEARN COc1ccc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] ZINC000004871896 210310342 /nfs/dbraw/zinc/31/03/42/210310342.db2.gz SHGKRWWBURZLAO-GORDUTHDSA-N 0 0 341.319 3.271 50 30 EGEARN CC1(C)CC(=O)C2=C(C1)NC(=O)C[C@H]2c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004913038 210321390 /nfs/dbraw/zinc/32/13/90/210321390.db2.gz JKPSGLNFOWUWSE-JTQLQIEISA-N 0 0 348.786 3.495 50 30 EGEARN CCOc1ccc(NC(=O)N2CCC[C@@H](c3cc[nH]n3)C2)cc1C#N ZINC000097436895 219024800 /nfs/dbraw/zinc/02/48/00/219024800.db2.gz DBKULWVFCNKAKD-CYBMUJFWSA-N 0 0 339.399 3.092 50 30 EGEARN CCOC(=O)[C@@H](C#N)[C@@H](Cc1ccccc1)c1ccc2c(c1)OCO2 ZINC000000169023 258047794 /nfs/dbraw/zinc/04/77/94/258047794.db2.gz SHOOUTRHZYZRBO-IRXDYDNUSA-N 0 0 337.375 3.444 50 30 EGEARN Cc1ccc(NC(=O)CC(=O)N(CC#Cc2ccccc2)C2CC2)cc1 ZINC000055568845 258015000 /nfs/dbraw/zinc/01/50/00/258015000.db2.gz LPPJUFAPPSPWDY-UHFFFAOYSA-N 0 0 346.430 3.366 50 30 EGEARN Cc1nn(C)c(C)c1CN(C(=O)Nc1ccc(C)c(C#N)c1)C1CC1 ZINC000299801117 258104411 /nfs/dbraw/zinc/10/44/11/258104411.db2.gz YFLYOBOXPAUFIP-UHFFFAOYSA-N 0 0 337.427 3.414 50 30 EGEARN COCc1ncc(-c2c(C)c(-c3ccc(C)cc3)nc(N)c2C#N)cn1 ZINC000067954455 285513609 /nfs/dbraw/zinc/51/36/09/285513609.db2.gz VQYXVAPBPCPLPM-UHFFFAOYSA-N 0 0 345.406 3.423 50 30 EGEARN N#Cc1ccc(NC(=O)c2ccc(I)cc2)cc1 ZINC000000449973 274925547 /nfs/dbraw/zinc/92/55/47/274925547.db2.gz VYZONPZYPSHLHI-UHFFFAOYSA-N 0 0 348.143 3.415 50 30 EGEARN C=CCn1cnc2c3cc4c(nc3sc2c1=O)C[C@](C)(CC)OC4 ZINC000032104304 275435557 /nfs/dbraw/zinc/43/55/57/275435557.db2.gz JOUYXZUCHRIJQV-SFHVURJKSA-N 0 0 341.436 3.434 50 30 EGEARN CCOc1ccc([C@@H]2CC(=O)OC3=C2C(=O)c2ccccc2C3=O)cc1 ZINC000004745794 276376432 /nfs/dbraw/zinc/37/64/32/276376432.db2.gz CWASPBAFJDHLFF-INIZCTEOSA-N 0 0 348.354 3.449 50 30 EGEARN C=C(C)Cn1cnc2c3cc4c(nc3sc2c1=O)CC(C)(C)OC4 ZINC000000205446 276867489 /nfs/dbraw/zinc/86/74/89/276867489.db2.gz LKFWJJLXJGFVLU-UHFFFAOYSA-N 0 0 341.436 3.434 50 30 EGEARN O=C1Nc2ccccc2C1=NNc1ncnc2sc3c(c21)CCCC3 ZINC000004579324 280303548 /nfs/dbraw/zinc/30/35/48/280303548.db2.gz DLILUTTVWBCQEU-UHFFFAOYSA-N 0 0 349.419 3.338 50 30 EGEARN O=S(=O)(N/N=C1/CCCc2ccccc21)c1ccc(Cl)cc1 ZINC000102236107 280337121 /nfs/dbraw/zinc/33/71/21/280337121.db2.gz MZORZWRKMZSKAU-VLGSPTGOSA-N 0 0 334.828 3.359 50 30 EGEARN N#Cc1ncc(C(F)(F)F)cc1S(=O)(=O)c1ccc(Cl)cc1 ZINC000001385416 295000486 /nfs/dbraw/zinc/00/04/86/295000486.db2.gz UTWXHYVRYGZWGP-UHFFFAOYSA-N 0 0 346.717 3.458 50 30 EGEARN Oc1ccc(C=NN2CCN(Cc3ccccc3Cl)CC2)cc1 ZINC000239235737 455260857 /nfs/dbraw/zinc/26/08/57/455260857.db2.gz WPIFMFZQJCPHGG-UHFFFAOYSA-N 0 0 329.831 3.197 50 30 EGEARN Clc1ccccc1-c1nc(/C=N/N2CCOCC2)c2ccccn21 ZINC000000071942 452498307 /nfs/dbraw/zinc/49/83/07/452498307.db2.gz RWPBFBVLFPWQSO-DEDYPNTBSA-N 0 0 340.814 3.321 50 30 EGEARN COc1ccc(-n2cccc2/C=N/N2C(=O)c3ccccc3C2=O)cc1 ZINC000000559008 452622056 /nfs/dbraw/zinc/62/20/56/452622056.db2.gz MHCJSZIPDQZICF-FYJGNVAPSA-N 0 0 345.358 3.116 50 30 EGEARN Oc1cccc(C=NN2C(=S)N=NC2c2ccc(Cl)cc2)c1 ZINC000001241421 452647997 /nfs/dbraw/zinc/64/79/97/452647997.db2.gz PIIYOZQJGPXARV-RQZCQDPDSA-N 0 0 330.800 3.475 50 30 EGEARN C#CC(C)(C)NC(=O)c1cnc(-c2cccnc2)nc1-c1ccccc1 ZINC000001381843 452657001 /nfs/dbraw/zinc/65/70/01/452657001.db2.gz BIWDCFKQNMUJMT-UHFFFAOYSA-N 0 0 342.402 3.347 50 30 EGEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1cccc(O)c1 ZINC000002055173 452685978 /nfs/dbraw/zinc/68/59/78/452685978.db2.gz QNYOXXKUNYKWJS-SFHVURJKSA-N 0 0 341.407 3.313 50 30 EGEARN CCCCNC(=O)[C@@H](C#N)c1nc2ccccc2nc1OCCCC ZINC000002368424 452696152 /nfs/dbraw/zinc/69/61/52/452696152.db2.gz UKVMVKIPKVSSSI-AWEZNQCLSA-N 0 0 340.427 3.332 50 30 EGEARN COc1ccc(-c2cc(C(F)F)n3ncc(C#N)c3n2)cc1OC ZINC000002766732 452721191 /nfs/dbraw/zinc/72/11/91/452721191.db2.gz UPJJOPMZSVSLMY-UHFFFAOYSA-N 0 0 330.294 3.223 50 30 EGEARN CCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000002837479 452728611 /nfs/dbraw/zinc/72/86/11/452728611.db2.gz NAOZUHXAJDKWOV-AWEZNQCLSA-N 0 0 347.798 3.194 50 30 EGEARN C=CCOC(=O)CCN1C(=O)/C(=C/c2ccccc2)SC1=S ZINC000002976694 452737880 /nfs/dbraw/zinc/73/78/80/452737880.db2.gz OFDIZLINEQUBEA-QBFSEMIESA-N 0 0 333.434 3.007 50 30 EGEARN N#Cc1ccc(C(=O)OCC(=O)Nc2ccc(F)cc2Cl)cc1 ZINC000003474540 452769807 /nfs/dbraw/zinc/76/98/07/452769807.db2.gz CJRCSSUJBVANPD-UHFFFAOYSA-N 0 0 332.718 3.146 50 30 EGEARN Cc1c(NC(=O)Nc2ccc(C#N)cc2)n(C)c(=O)n1-c1ccccc1 ZINC000004856889 452821258 /nfs/dbraw/zinc/82/12/58/452821258.db2.gz DPDAZJPKLJWEKM-UHFFFAOYSA-N 0 0 347.378 3.000 50 30 EGEARN O=C1CCCC2=Nc3nnnn3[C@@H](c3ccc(Cl)cc3Cl)C12 ZINC000007778514 453115679 /nfs/dbraw/zinc/11/56/79/453115679.db2.gz KVANEPFIBXAYNS-ZDUSSCGKSA-N 0 0 336.182 3.002 50 30 EGEARN C[C@H]1CC(=O)C2C(=Nc3nonc3N[C@@H]2c2ccc3ncccc3c2)C1 ZINC000012324836 453357135 /nfs/dbraw/zinc/35/71/35/453357135.db2.gz POWUMKGEISIKOE-BMLIUANNSA-N 0 0 347.378 3.450 50 30 EGEARN CC(=O)C1C(=O)[C@@H]2c3c[nH]c4cccc(c43)C[C@H]2C(C)(C)N(C)C1=O ZINC000012956083 453430281 /nfs/dbraw/zinc/43/02/81/453430281.db2.gz WJCPGKDPOYBOOJ-FJTRLSIBSA-N 0 0 338.407 3.076 50 30 EGEARN C=CCN1C(=O)/C(=C\c2ccc(OCC)cc2)C(C(=O)OCC)=C1C ZINC000014010607 453497898 /nfs/dbraw/zinc/49/78/98/453497898.db2.gz VDWNFDJXYSKGDC-LGMDPLHJSA-N 0 0 341.407 3.334 50 30 EGEARN O=C1N/C(=N\c2ccccc2)S[C@H]1Cc1cccc([N+](=O)[O-])c1 ZINC000016956638 453624354 /nfs/dbraw/zinc/62/43/54/453624354.db2.gz YWAGAWNYNWPBQU-AWEZNQCLSA-N 0 0 327.365 3.057 50 30 EGEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(OC)cc1 ZINC000019285944 453655746 /nfs/dbraw/zinc/65/57/46/453655746.db2.gz ZKWLPRVCZKURKF-SFHVURJKSA-N 0 0 341.407 3.226 50 30 EGEARN CCOC(=O)c1sc2nc(N)c(C#N)c(-c3ccccc3)c2c1N ZINC000022343186 453691310 /nfs/dbraw/zinc/69/13/10/453691310.db2.gz BHTNSGLNVCGPLC-UHFFFAOYSA-N 0 0 338.392 3.176 50 30 EGEARN COc1cc(C=NN=c2[nH]c3ccccc3o2)cc(OC)c1OC ZINC000031939399 453858610 /nfs/dbraw/zinc/85/86/10/453858610.db2.gz FKVNRRVOINSYRD-ZDLGFXPLSA-N 0 0 327.340 3.300 50 30 EGEARN CO[C@](F)(C(=O)Nc1c(F)c(F)c(F)c(F)c1F)C(F)(F)F ZINC000033355523 453914920 /nfs/dbraw/zinc/91/49/20/453914920.db2.gz NURBVHMQIKPDIY-SECBINFHSA-N 0 0 341.129 3.195 50 30 EGEARN N#Cc1c(N)nc2c(c1-c1cnc(C3CCCCC3)nc1)COCC2 ZINC000071759834 454215512 /nfs/dbraw/zinc/21/55/12/454215512.db2.gz ZYWDOMQFRUSRNJ-UHFFFAOYSA-N 0 0 335.411 3.113 50 30 EGEARN N#CCCn1ncc2c1ncnc2N1CCC[C@H]1c1ccc(F)cc1 ZINC000097199911 454422143 /nfs/dbraw/zinc/42/21/43/454422143.db2.gz JOBIGDADZKDART-INIZCTEOSA-N 0 0 336.374 3.221 50 30 EGEARN COc1ccc(C(=O)Cc2nc3cc(C)ccc3oc2=O)cc1OC ZINC000100820625 454467927 /nfs/dbraw/zinc/46/79/27/454467927.db2.gz VKKOGEVBWXWVJU-GXDHUFHOSA-N 0 0 339.347 3.110 50 30 EGEARN C#CCn1c2c(cccc2OC)s/c1=N\C(=O)c1cccc(F)c1 ZINC000100909892 454468366 /nfs/dbraw/zinc/46/83/66/454468366.db2.gz XDBOJVJMSADXOD-ZZEZOPTASA-N 0 0 340.379 3.225 50 30 EGEARN C#CCn1c2c(cccc2C)s/c1=N\C(=O)c1cccc(OC)c1 ZINC000100909902 454468504 /nfs/dbraw/zinc/46/85/04/454468504.db2.gz FNMNLDDYPLIGPI-VXPUYCOJSA-N 0 0 336.416 3.394 50 30 EGEARN CC(=O)C1=C(O)C(=O)N(CCc2ccccc2)[C@@H]1c1ccccc1F ZINC000101152759 454469721 /nfs/dbraw/zinc/46/97/21/454469721.db2.gz IDLNJQABRGYBMU-MTMYEVCSSA-N 0 0 339.366 3.353 50 30 EGEARN N#CC1(c2ccccc2)CCN(C(=O)NCC[C@@H]2CCCOC2)CC1 ZINC000534639963 459340636 /nfs/dbraw/zinc/34/06/36/459340636.db2.gz BXPJLNOSZGHFAW-KRWDZBQOSA-N 0 0 341.455 3.070 50 30 EGEARN C=CCN(Cc1ccc(S(C)(=O)=O)cc1)Cc1ccccc1OC ZINC000055270191 518784180 /nfs/dbraw/zinc/78/41/80/518784180.db2.gz ANLJQSWPRRDLRF-UHFFFAOYSA-N 0 0 345.464 3.287 50 30 EGEARN C=CCN(Cc1cccnc1)C(=O)CCC(=O)NC1CCCCCC1 ZINC000055309671 518787423 /nfs/dbraw/zinc/78/74/23/518787423.db2.gz DUFYWSQNGZRFCA-UHFFFAOYSA-N 0 0 343.471 3.215 50 30 EGEARN C=CCNc1ccccc1C(=O)N(C)Cc1nc(-c2ccncc2)no1 ZINC000055108572 518961602 /nfs/dbraw/zinc/96/16/02/518961602.db2.gz QLQYGVJGGZHWJY-UHFFFAOYSA-N 0 0 349.394 3.002 50 30 EGEARN CCCCOc1ccc(/C=N/NS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000003142510 520855305 /nfs/dbraw/zinc/85/53/05/520855305.db2.gz JUJQCSZKMHUDES-XMHGGMMESA-N 0 0 346.452 3.486 50 30 EGEARN COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)cc2)ccc1O ZINC000031430201 521924524 /nfs/dbraw/zinc/92/45/24/521924524.db2.gz HJTVQHVGMGKONQ-DHPVUTNOSA-N 0 0 338.359 3.361 50 30 EGEARN COc1ccccc1CN=Nc1cc(C)nc(-n2nc(C)cc2C)n1 ZINC000030725606 524327164 /nfs/dbraw/zinc/32/71/64/524327164.db2.gz JKJLHGBOKWUCPK-ODLFYWEKSA-N 0 0 336.399 3.042 50 30 EGEARN N#CC[C@H](CNc1ncc(C(F)(F)F)cc1Cl)OC(=O)C1CC1 ZINC000020404945 526480593 /nfs/dbraw/zinc/48/05/93/526480593.db2.gz LZAIOJCPPZMFMP-SNVBAGLBSA-N 0 0 347.724 3.401 50 30 EGEARN N=C(NOC(=O)COc1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000004685096 526807981 /nfs/dbraw/zinc/80/79/81/526807981.db2.gz ZASVILLVQJENIK-UHFFFAOYSA-N 0 0 339.178 3.236 50 30 EGEARN O=S1(=O)CCC[C@H]1/C=N/N(Cc1ccccc1)c1ccccc1 ZINC000005376098 527305647 /nfs/dbraw/zinc/30/56/47/527305647.db2.gz DIZBFEDNKUWDHF-OGBKAESYSA-N 0 0 328.437 3.256 50 30 EGEARN C=CCn1c([C@H](NC(=O)c2ccc(OC)cc2)C(C)C)n[nH]c1=S ZINC000004739089 210264298 /nfs/dbraw/zinc/26/42/98/210264298.db2.gz ZWRZVLRVOBOHHW-CQSZACIVSA-N 0 0 346.456 3.262 50 30 EGEARN CCc1c2c(N)c(C(=O)Nc3ccccc3)sc2nc(N)c1C#N ZINC000013757315 201914850 /nfs/dbraw/zinc/91/48/50/201914850.db2.gz YBLNRGSWEMWOJH-UHFFFAOYSA-N 0 0 337.408 3.147 50 30 EGEARN Cc1ccccc1/N=C1/NC(=O)/C(=C/c2ccc([N+](=O)[O-])o2)S1 ZINC000013914817 201921144 /nfs/dbraw/zinc/92/11/44/201921144.db2.gz NBCFQQKRTPFTAW-WQLSENKSSA-N 0 0 329.337 3.388 50 30 EGEARN CSc1nc(NCCCO)c(C#N)c(-c2ccc(Cl)cc2)n1 ZINC000019794128 202021048 /nfs/dbraw/zinc/02/10/48/202021048.db2.gz CEDHNDKZZISSIU-UHFFFAOYSA-N 0 0 334.832 3.185 50 30 EGEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccncc1 ZINC000019855480 202023776 /nfs/dbraw/zinc/02/37/76/202023776.db2.gz GXEZDNIXNUPTLX-GOSISDBHSA-N 0 0 340.423 3.393 50 30 EGEARN C[C@H]1CN(c2oc(/C=C/c3ccc(F)cc3)nc2C#N)C[C@H](C)O1 ZINC000020446585 202042699 /nfs/dbraw/zinc/04/26/99/202042699.db2.gz GPFDELKVSAPDOX-BVAIOKDQSA-N 0 0 327.359 3.469 50 30 EGEARN C=C(Cl)COc1ccc2c(C)c(CC(=O)OC)c(=O)oc2c1C ZINC000000489443 209632449 /nfs/dbraw/zinc/63/24/49/209632449.db2.gz NLKDMNFBZMQLQB-UHFFFAOYSA-N 0 0 336.771 3.257 50 30 biogenic EGEARN COc1ccc(/C=C/C(=O)c2cc(OC)c(OC)cc2O)cc1OC ZINC000034252970 202272132 /nfs/dbraw/zinc/27/21/32/202272132.db2.gz QIMAWMNCDJNNHI-FNORWQNLSA-N 0 0 344.363 3.323 50 30 EGEARN N#Cc1cccc(C(=O)NC[C@H](O)c2ccc(C(F)(F)F)cc2)c1 ZINC000070639886 202337056 /nfs/dbraw/zinc/33/70/56/202337056.db2.gz LBVNVMBKUXKEGV-HNNXBMFYSA-N 0 0 334.297 3.040 50 30 EGEARN COc1ccc(OC)c(/C=C2\Oc3cc(OCC#N)ccc3C2=O)c1 ZINC000005215528 201362031 /nfs/dbraw/zinc/36/20/31/201362031.db2.gz IMCLSMGJIHMFJV-ZDLGFXPLSA-N 0 0 337.331 3.222 50 30 biogenic EGEARN CCOc1ccc(C(=O)C=CNc2ccc(S(C)(=O)=O)cc2)cc1 ZINC000051318918 202639018 /nfs/dbraw/zinc/63/90/18/202639018.db2.gz IBMGPXRFMXEQNW-OUKQBFOZSA-N 0 0 345.420 3.297 50 30 EGEARN COc1ccc(OCc2nc(C#N)c(NCc3cccnc3)o2)cc1 ZINC000000200305 201447179 /nfs/dbraw/zinc/44/71/79/201447179.db2.gz JDISGUYTGPMUIA-UHFFFAOYSA-N 0 0 336.351 3.141 50 30 EGEARN CCCc1nc2ccccc2c(=O)n1/N=C/c1ccc(N(C)C)cc1 ZINC000000535235 201484995 /nfs/dbraw/zinc/48/49/95/201484995.db2.gz KVANOAPQZNWEPN-KGENOOAVSA-N 0 0 334.423 3.297 50 30 EGEARN CCCOc1ccc(C=NN2C(=S)N=NC2c2ccncc2)cc1 ZINC000004873337 201624777 /nfs/dbraw/zinc/62/47/77/201624777.db2.gz NOUUQFVALFPRTI-XDHOZWIPSA-N 0 0 339.424 3.300 50 30 EGEARN O=C(/C=C/c1ccccc1)c1cc(Br)ccc(=O)c1O ZINC000004667452 201609324 /nfs/dbraw/zinc/60/93/24/201609324.db2.gz XKZOSKRQFRGZQG-SOFGYWHQSA-N 0 0 331.165 3.411 50 30 EGEARN N#Cc1cc2c(nc1N1CCC[C@@H](OCc3ccccn3)C1)CCCC2 ZINC000077504726 203392069 /nfs/dbraw/zinc/39/20/69/203392069.db2.gz SIAVXLRNCLPWPJ-LJQANCHMSA-N 0 0 348.450 3.413 50 30 EGEARN C=CCOc1ccc([C@@H]2Nc3nonc3N=C3CCCC(=O)C32)cc1 ZINC000012409509 211371848 /nfs/dbraw/zinc/37/18/48/211371848.db2.gz NVBBMGGVXIFWEX-INIZCTEOSA-N 0 0 338.367 3.220 50 30 EGEARN O=c1c2c3c(sc2ncn1/N=C/c1ccc(F)cc1)CCCC3 ZINC000000119024 285208501 /nfs/dbraw/zinc/20/85/01/285208501.db2.gz GIYHCSKXPGDAEI-AWQFTUOYSA-N 0 0 327.384 3.358 50 30 EGEARN Cc1cc(N2CCOCC2)c(F)cc1[C@@](C)(O)C#Cc1ccccc1 ZINC000000268433 291937568 /nfs/dbraw/zinc/93/75/68/291937568.db2.gz HZORSQLFFXJAMC-NRFANRHFSA-N 0 0 339.410 3.230 50 30 EGEARN C=CCN1CCN(C(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)CC1 ZINC000012380420 258017438 /nfs/dbraw/zinc/01/74/38/258017438.db2.gz PBDGMJGGPPMKGS-MRXNPFEDSA-N 0 0 330.472 3.082 50 30 EGEARN CCCCCCCNS(=O)(=O)c1ccc(OC)c2ncccc12 ZINC000002191671 258049661 /nfs/dbraw/zinc/04/96/61/258049661.db2.gz AXUHRNRTIMFGCJ-UHFFFAOYSA-N 0 0 336.457 3.492 50 30 EGEARN CC1(C)CC2=C(C(=O)C1)[C@](O)(C(F)(F)F)C(=O)N2C1CCCCC1 ZINC000002399214 280914028 /nfs/dbraw/zinc/91/40/28/280914028.db2.gz YSIKFBDMPKHKGN-MRXNPFEDSA-N 0 0 345.361 3.098 50 30 EGEARN Cc1nc2ccccc2c(=O)n1/N=C/c1ccc(Br)cc1 ZINC000000548985 282072343 /nfs/dbraw/zinc/07/23/43/282072343.db2.gz XVHCUXUKFAQHTA-VCHYOVAHSA-N 0 0 342.196 3.350 50 30 EGEARN CN(C)N1C(=O)C[C@H](c2c(F)cccc2Cl)C2=C1CCCC2=O ZINC000001422730 289227438 /nfs/dbraw/zinc/22/74/38/289227438.db2.gz NEACGMSVPOPATL-SNVBAGLBSA-N 0 0 336.794 3.279 50 30 EGEARN COc1ccccc1[C@@H]1C2C(=O)CC(C)(C)CC2=Nc2c(C#N)cnn21 ZINC000044893698 295386243 /nfs/dbraw/zinc/38/62/43/295386243.db2.gz ORGZUBNQOZYOEN-GOSISDBHSA-N 0 0 348.406 3.421 50 30 EGEARN Cc1ccc(-c2ccc(/C=N/n3cnnc3)o2)c(Br)c1 ZINC000000037664 452493750 /nfs/dbraw/zinc/49/37/50/452493750.db2.gz CNDKTIWKKPQJIZ-CNHKJKLMSA-N 0 0 331.173 3.491 50 30 EGEARN CC1=C(C)C(=NOC(=O)c2ccc(Br)cc2)C=CC1=O ZINC000000101972 452508388 /nfs/dbraw/zinc/50/83/88/452508388.db2.gz NPRFKHMNOFSZCQ-LGMDPLHJSA-N 0 0 334.169 3.437 50 30 EGEARN COC(=O)C1=C(Nc2ccccc2)SC(=Cc2ccco2)C1=O ZINC000000173153 452526872 /nfs/dbraw/zinc/52/68/72/452526872.db2.gz NKBMBEGQQBFSDD-JLHYYAGUSA-N 0 0 327.361 3.433 50 30 EGEARN Cc1ccc(C)c(S(=O)(=O)N/N=C/c2c(F)cccc2Cl)c1 ZINC000000311913 452561146 /nfs/dbraw/zinc/56/11/46/452561146.db2.gz CTLJHEIOKFAOML-GIJQJNRQSA-N 0 0 340.807 3.408 50 30 EGEARN Cn1c(-c2cccc(O)c2)cs/c1=N/N=C/c1ccccc1C=O ZINC000000333034 452566524 /nfs/dbraw/zinc/56/65/24/452566524.db2.gz PZCZBTPHARMDFB-GQVLRKDXSA-N 0 0 337.404 3.207 50 30 EGEARN CCOC(=O)c1sc(NC(=O)c2ccccc2OC)c(C#N)c1C ZINC000000359612 452570773 /nfs/dbraw/zinc/57/07/73/452570773.db2.gz XUWKKVYMZXIASX-UHFFFAOYSA-N 0 0 344.392 3.366 50 30 EGEARN CCOc1ccc(/C=N/NS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000000442065 452593163 /nfs/dbraw/zinc/59/31/63/452593163.db2.gz LWAXKFRCZPIKNB-GZTJUZNOSA-N 0 0 338.816 3.051 50 30 EGEARN CC1=C(C(=O)c2ccccc2)[C@H](c2cccc([N+](=O)[O-])c2)NC(=O)N1 ZINC000000447893 452595319 /nfs/dbraw/zinc/59/53/19/452595319.db2.gz JDVZEATUSCXVGE-INIZCTEOSA-N 0 0 337.335 3.106 50 30 EGEARN O=S(=O)(NN=C1C2CC3CC(C2)CC1C3)c1ccc(Cl)cc1 ZINC000000484488 452605461 /nfs/dbraw/zinc/60/54/61/452605461.db2.gz MHGBPGHXNJWNOZ-UHFFFAOYSA-N 0 0 338.860 3.430 50 30 EGEARN N#Cc1ccc(OCC(=O)NCc2ccc(-n3cccc3)cc2)cc1 ZINC000001426632 452663496 /nfs/dbraw/zinc/66/34/96/452663496.db2.gz LMEQQSSDZYXCLM-UHFFFAOYSA-N 0 0 331.375 3.044 50 30 EGEARN C=CCOc1ccc(/C=C2\N=C(c3ccco3)OC2=O)cc1OC ZINC000002081071 452686820 /nfs/dbraw/zinc/68/68/20/452686820.db2.gz FABDNHQUSJHJEB-RAXLEYEMSA-N 0 0 325.320 3.198 50 30 EGEARN COc1ccc(NC(=S)N/N=C/c2cc(OC)ccc2OC)cc1 ZINC000002506464 452702037 /nfs/dbraw/zinc/70/20/37/452702037.db2.gz DMTXMYLHAQAPSB-WOJGMQOQSA-N 0 0 345.424 3.033 50 30 EGEARN CO[C@@](F)(C(=O)Nc1ccc(OC(F)(F)F)cc1)C(F)(F)F ZINC000003672551 452785505 /nfs/dbraw/zinc/78/55/05/452785505.db2.gz ZVXXVBLYLXPRQP-VIFPVBQESA-N 0 0 335.175 3.398 50 30 EGEARN COC(=O)COc1ccc(C=NNc2nc3ccccc3s2)cc1 ZINC000004545166 452808523 /nfs/dbraw/zinc/80/85/23/452808523.db2.gz QHFDNUXHUCOXAB-VCHYOVAHSA-N 0 0 341.392 3.294 50 30 EGEARN COC(=O)c1sc(NC(=O)CSc2ccccc2)c(C#N)c1C ZINC000004750376 452816357 /nfs/dbraw/zinc/81/63/57/452816357.db2.gz GTYAPUYNMGFZIZ-UHFFFAOYSA-N 0 0 346.433 3.446 50 30 EGEARN O=c1[nH]c2c3ccccc3[nH]c2c(=O)n1N=Cc1ccccc1Cl ZINC000004808078 452818828 /nfs/dbraw/zinc/81/88/28/452818828.db2.gz QZXUTOAXRRPVQR-DJKKODMXSA-N 0 0 338.754 3.119 50 30 EGEARN Cc1cc(Cl)ccc1N1CC(=O)C(c2nc3ccccc3[nH]2)=C1N ZINC000005009258 452831630 /nfs/dbraw/zinc/83/16/30/452831630.db2.gz PPRGIIIYRMLODQ-UHFFFAOYSA-N 0 0 338.798 3.241 50 30 EGEARN CSc1nc2c(c(=O)[nH]1)[C@H](c1cccs1)C1=C(CCCC1=O)N2 ZINC000005066767 452835970 /nfs/dbraw/zinc/83/59/70/452835970.db2.gz MPHXRAKCRIOQQA-GFCCVEGCSA-N 0 0 345.449 3.118 50 30 EGEARN C=CCN1C(=O)N(c2ccccc2)C(=O)[C@@H]1CC(=O)Nc1ccccc1 ZINC000005274799 452855167 /nfs/dbraw/zinc/85/51/67/452855167.db2.gz OVXWKQDUUUVPRB-KRWDZBQOSA-N 0 0 349.390 3.039 50 30 EGEARN N#CCSc1nc(S(=O)(=O)c2ccccc2)c(Cl)s1 ZINC000006508831 452948129 /nfs/dbraw/zinc/94/81/29/452948129.db2.gz SPUQNYDPPLQLCG-UHFFFAOYSA-N 0 0 330.843 3.245 50 30 EGEARN COc1ccc(NC(=O)CSc2nc(C)c(C)cc2C#N)cc1 ZINC000006709732 452976122 /nfs/dbraw/zinc/97/61/22/452976122.db2.gz NHPLGOLQVNYCJW-UHFFFAOYSA-N 0 0 327.409 3.310 50 30 EGEARN N#Cc1cccnc1SCC(=O)Nc1ccc(Br)cc1 ZINC000007051335 453024181 /nfs/dbraw/zinc/02/41/81/453024181.db2.gz HGGGQVUJTHLBIU-UHFFFAOYSA-N 0 0 348.225 3.447 50 30 EGEARN C#CCn1c2ccccc2nc1[C@H]1CC(=O)N(Cc2ccc(F)cc2)C1 ZINC000007542999 453085988 /nfs/dbraw/zinc/08/59/88/453085988.db2.gz ZEWGLXVPCVQNHO-INIZCTEOSA-N 0 0 347.393 3.325 50 30 EGEARN COc1ccc(Cl)cc1NC(=O)CSc1ncccc1C#N ZINC000009295496 453249867 /nfs/dbraw/zinc/24/98/67/453249867.db2.gz GCKYDUGKNDPMCV-UHFFFAOYSA-N 0 0 333.800 3.346 50 30 EGEARN CC1(C)CC(=O)C2C(=Nc3nonc3N[C@H]2c2ccc(F)cc2)C1 ZINC000012323202 453354408 /nfs/dbraw/zinc/35/44/08/453354408.db2.gz LOFJDLAFPFYNBN-AWEZNQCLSA-N 0 0 328.347 3.431 50 30 EGEARN CC1(C)CC(=O)C=C(NCCCCNC2=CC(=O)CC(C)(C)C2)C1 ZINC000013144546 453448586 /nfs/dbraw/zinc/44/85/86/453448586.db2.gz BVWGELIWLYXWQS-UHFFFAOYSA-N 0 0 332.488 3.492 50 30 EGEARN CSc1nc(N=[N+]=[N-])cc(N2CCN(c3ccccc3)CC2)n1 ZINC000013398637 453462869 /nfs/dbraw/zinc/46/28/69/453462869.db2.gz LRGLUBFGRVGIPL-UHFFFAOYSA-N 0 0 327.417 3.467 50 30 EGEARN N#Cc1c(N)n2nc(N)c(Cc3cccs3)c2nc1-c1ccccc1 ZINC000017173063 453630907 /nfs/dbraw/zinc/63/09/07/453630907.db2.gz XGIQCEZDPXIELW-UHFFFAOYSA-N 0 0 346.419 3.085 50 30 EGEARN O=[N+]([O-])c1cccc(/C=N/CC/N=C/c2cccc([N+](=O)[O-])c2)c1 ZINC000017746511 453637514 /nfs/dbraw/zinc/63/75/14/453637514.db2.gz LCDWIXVPDSNHCZ-JYFOCSDGSA-N 0 0 326.312 3.041 50 30 EGEARN COc1ccc(N2CCN(c3oc(C(C)C)nc3C#N)CC2)cc1 ZINC000026458817 453800793 /nfs/dbraw/zinc/80/07/93/453800793.db2.gz YQOUNBWZMRYHEG-UHFFFAOYSA-N 0 0 326.400 3.005 50 30 EGEARN CC[NH+](CC)CC/C(=N/[O-])C(O)(c1ccccc1)c1ccccc1 ZINC000067194116 453910098 /nfs/dbraw/zinc/91/00/98/453910098.db2.gz OVVRYTXYUBRVRW-VZCXRCSSSA-N 0 0 326.440 3.485 50 30 EGEARN COc1ccc(-c2cc(-c3cnc(SC)nc3)c(C#N)c(N)n2)cc1 ZINC000067974151 453985321 /nfs/dbraw/zinc/98/53/21/453985321.db2.gz WOZIGAQVPZSIPO-UHFFFAOYSA-N 0 0 349.419 3.390 50 30 EGEARN COc1ccc([C@H](C)NC(=O)Cn2cc(C#N)c3ccccc32)cc1 ZINC000085558647 454032868 /nfs/dbraw/zinc/03/28/68/454032868.db2.gz NTOAYWGAIHQNNP-AWEZNQCLSA-N 0 0 333.391 3.399 50 30 EGEARN COc1ccc(NC=CC(=O)c2ccc3c(c2)OCO3)c(OC)c1 ZINC000044842420 454121695 /nfs/dbraw/zinc/12/16/95/454121695.db2.gz IRPOTLFRXRYGMV-BQYQJAHWSA-N 0 0 327.336 3.241 50 30 EGEARN COc1ccc(C[C@H](C#N)C(=O)Nc2ccccc2OC)c(OC)c1 ZINC000057524889 454134565 /nfs/dbraw/zinc/13/45/65/454134565.db2.gz VJPUCIFLSDDLGR-CQSZACIVSA-N 0 0 340.379 3.033 50 30 EGEARN COc1ccc(NC(=O)[C@@H](C#N)Cc2cc(OC)ccc2OC)cc1 ZINC000057525128 454134646 /nfs/dbraw/zinc/13/46/46/454134646.db2.gz OWGDKRQHANDTQW-CQSZACIVSA-N 0 0 340.379 3.033 50 30 EGEARN Oc1ccccc1/C=N/C(=S)C(=S)/N=C/c1ccccc1O ZINC000071769571 454216503 /nfs/dbraw/zinc/21/65/03/454216503.db2.gz AHHQAAQTSSKBRG-BEQMOXJMSA-N 0 0 328.418 3.291 50 30 EGEARN N#CCc1ccc(Br)c(F)c1I ZINC000098210859 454463775 /nfs/dbraw/zinc/46/37/75/454463775.db2.gz AWRLITRUDWCSSH-UHFFFAOYSA-N 0 0 339.933 3.259 50 30 EGEARN CC(NN=Cc1cccc([N+](=O)[O-])c1)=C1C(=O)c2ccccc2C1=O ZINC000100491842 454466453 /nfs/dbraw/zinc/46/64/53/454466453.db2.gz ATTRNEYJISVBGR-ROUMAOROSA-N 0 0 335.319 3.085 50 30 EGEARN N#Cc1cc2c(nc1N[C@@H](c1ccccn1)[C@H]1C[C@H](O)C1)CCCC2 ZINC000223426993 456057104 /nfs/dbraw/zinc/05/71/04/456057104.db2.gz MPOHECKXQRJDHM-SIXWZSSISA-N 0 0 334.423 3.151 50 30 EGEARN C=C(C)COc1ccc([C@@H]2CC(=O)Oc3cc(C)n(C)c(=O)c32)cc1 ZINC000524734797 459384542 /nfs/dbraw/zinc/38/45/42/459384542.db2.gz PKZLQJMZIBDTFY-INIZCTEOSA-N 0 0 339.391 3.090 50 30 EGEARN C=C(C)COc1ccc(C(=O)NCC2(Cn3ccnc3)CC2)cc1 ZINC000055359930 518613598 /nfs/dbraw/zinc/61/35/98/518613598.db2.gz VNGUYBUTRKWORA-UHFFFAOYSA-N 0 0 325.412 3.048 50 30 EGEARN C=CCN(CC=C)C(=O)c1cc(COc2cncc(Cl)c2)on1 ZINC000012592178 518767279 /nfs/dbraw/zinc/76/72/79/518767279.db2.gz LSQBXQGJDVRYKV-UHFFFAOYSA-N 0 0 333.775 3.116 50 30 EGEARN C=CCOc1ccccc1CN(CC)C(=O)c1cnn(CC)c1C ZINC000055308919 519067267 /nfs/dbraw/zinc/06/72/67/519067267.db2.gz OEPLECSPMZOHBG-UHFFFAOYSA-N 0 0 327.428 3.439 50 30 EGEARN CCCCCCCCCC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000100925730 519977148 /nfs/dbraw/zinc/97/71/48/519977148.db2.gz FAGSBFXBWGCSCA-UHFFFAOYSA-N 0 0 326.462 3.413 50 30 EGEARN Cc1ccccc1C(=O)ONC(=N)c1cccc(Br)c1 ZINC000004832543 525065388 /nfs/dbraw/zinc/06/53/88/525065388.db2.gz PUIPIOCXXUXUSV-UHFFFAOYSA-N 0 0 333.185 3.235 50 30 EGEARN N=C(NOC(=O)Cc1ccc(-c2ccccc2)cc1)c1ccccn1 ZINC000004191650 526808939 /nfs/dbraw/zinc/80/89/39/526808939.db2.gz ZGBGMIHXFBCKFI-UHFFFAOYSA-N 0 0 331.375 3.155 50 30 EGEARN CC(=O)Nc1ccc(Nc2nc(C(F)(F)F)nc(C)c2C#N)cc1 ZINC000000442074 1291019824 /nfs/dbraw/zinc/01/98/24/1291019824.db2.gz YEYHVCVZAQFMMS-UHFFFAOYSA-N 0 0 335.289 3.378 50 30 EGEARN N#Cc1ccc(CCC(=O)NCc2cncc(-c3ccoc3)c2)cc1 ZINC000675007983 1298108295 /nfs/dbraw/zinc/10/82/95/1298108295.db2.gz JCAJHUUSKOMGPZ-UHFFFAOYSA-N 0 0 331.375 3.462 50 30 EGEARN Cc1ccccc1[C@H](O)CNC(=O)CC1=C(c2ccccc2)CCC1=O ZINC000952970934 1334627918 /nfs/dbraw/zinc/62/79/18/1334627918.db2.gz ICKZVVNBYGXFQV-OAQYLSRUSA-N 0 0 349.430 3.351 50 30 EGEARN C[C@H](O)c1nc2cc(-n3ccnc3-c3ccccc3C#N)ccc2n1C ZINC001772810220 1441417517 /nfs/dbraw/zinc/41/75/17/1441417517.db2.gz JDHSXHHBCRIVLV-ZDUSSCGKSA-N 0 0 343.390 3.351 50 30 EGEARN C=CCOc1ccc(C(=O)N2CCC[C@](CC)(CO)C2)cc1OCC ZINC000055154825 214279799 /nfs/dbraw/zinc/27/97/99/214279799.db2.gz NNCMXADQJGEAJB-FQEVSTJZSA-N 0 0 347.455 3.275 50 30 EGEARN C=C(C)COc1ccc(C(=O)N2CCC[C@@H]2c2nonc2C)cc1 ZINC000055325853 214307816 /nfs/dbraw/zinc/30/78/16/214307816.db2.gz PMWBZSGVAMCANO-MRXNPFEDSA-N 0 0 327.384 3.310 50 30 EGEARN C=C(C)COc1ccccc1C(=O)NCc1nc(CC(C)C)no1 ZINC000055325583 214307962 /nfs/dbraw/zinc/30/79/62/214307962.db2.gz RSRGYSVAHFRWML-UHFFFAOYSA-N 0 0 329.400 3.153 50 30 EGEARN C=CCN(CC#Cc1ccccc1)C(=O)c1coc2c1C(=O)CCC2 ZINC000055393551 214319004 /nfs/dbraw/zinc/31/90/04/214319004.db2.gz XJXSMCGPUSVTMJ-UHFFFAOYSA-N 0 0 333.387 3.479 50 30 EGEARN C#CCOc1ccc(/C=C2\SC(=S)N(CC)C2=O)cc1OCC ZINC000003464144 201764148 /nfs/dbraw/zinc/76/41/48/201764148.db2.gz CVJHJQUQWXLMHT-PTNGSMBKSA-N 0 0 347.461 3.318 50 30 EGEARN C/C(=N\NC(=S)Nc1ccccc1)[C@H]1Cc2ccccc2C(=O)O1 ZINC000013598504 201903380 /nfs/dbraw/zinc/90/33/80/201903380.db2.gz LVWDGRHUAJXZKL-DDLUMYACSA-N 0 0 339.420 3.131 50 30 EGEARN N#Cc1c(=O)n2c(nc1-c1ccccc1)SCN(c1ccccc1)C2 ZINC000013683960 201908455 /nfs/dbraw/zinc/90/84/55/201908455.db2.gz GNLFMXHTEZDLKZ-UHFFFAOYSA-N 0 0 346.415 3.309 50 30 EGEARN CCC(N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(O)cc1 ZINC000019799725 202021421 /nfs/dbraw/zinc/02/14/21/202021421.db2.gz RVEHKPJNMYYCIS-DTQAZKPQSA-N 0 0 330.300 3.435 50 30 EGEARN CNC(=O)O[C@@H]1C=CC(=O)[C@](C)(c2ccc(-c3ccccc3)cc2)O1 ZINC000033815020 202269935 /nfs/dbraw/zinc/26/99/35/202269935.db2.gz WAFJSVJRYUCSTB-ICSRJNTNSA-N 0 0 337.375 3.406 50 30 EGEARN Cc1nc([C@H]2CCCN(c3ncccc3C#N)C2)cc(N2CCCC2)n1 ZINC000072433171 216227075 /nfs/dbraw/zinc/22/70/75/216227075.db2.gz OTPWABBVZTVUFJ-KRWDZBQOSA-N 0 0 348.454 3.036 50 30 EGEARN COc1cccc([C@H]2CCCN2c2ncnc3c2cnn3CCC#N)c1 ZINC000097199992 201382482 /nfs/dbraw/zinc/38/24/82/201382482.db2.gz XEMKDNBVEQIMMF-QGZVFWFLSA-N 0 0 348.410 3.090 50 30 EGEARN COc1ccc(/C=N/n2c(C)nc3sc(C)c(C)c3c2=O)cc1 ZINC000000371735 201465494 /nfs/dbraw/zinc/46/54/94/201465494.db2.gz JMZMJBBPWXKWGY-GIJQJNRQSA-N 0 0 327.409 3.274 50 30 EGEARN Cc1ccc(/N=C2/c3ccccc3N(CN3CCOCC3)C2=O)c(C)c1 ZINC000000549888 201486014 /nfs/dbraw/zinc/48/60/14/201486014.db2.gz FMNCNVNGACUZBU-XDOYNYLZSA-N 0 0 349.434 3.061 50 30 EGEARN COc1ccc(C=NN2C(=S)N=NC2COc2ccccc2)cc1 ZINC000001254226 201501047 /nfs/dbraw/zinc/50/10/47/201501047.db2.gz VFJMKLSFZYVXOZ-WOJGMQOQSA-N 0 0 340.408 3.037 50 30 EGEARN Fc1ccc(CN=Nc2nnnn2-c2cccc3ccccc32)cc1 ZINC000004188403 201593378 /nfs/dbraw/zinc/59/33/78/201593378.db2.gz WKVBTFJOJWETFR-UDWIEESQSA-N 0 0 332.342 3.401 50 30 EGEARN C[C@@H](CCc1ccccc1)NC(=O)CCC(=O)Nc1ccc(C#N)cc1 ZINC000004591800 201607541 /nfs/dbraw/zinc/60/75/41/201607541.db2.gz SOFBYXOQYVYHRL-INIZCTEOSA-N 0 0 349.434 3.414 50 30 EGEARN C[C@H](CCc1ccccc1)NC(=O)CCC(=O)Nc1ccc(C#N)cc1 ZINC000004591801 201607666 /nfs/dbraw/zinc/60/76/66/201607666.db2.gz SOFBYXOQYVYHRL-MRXNPFEDSA-N 0 0 349.434 3.414 50 30 EGEARN COc1ccccc1/C=C1\S/C(=N/c2ccc(O)cc2)NC1=O ZINC000005252751 201644795 /nfs/dbraw/zinc/64/47/95/201644795.db2.gz SBIIRJICIDGHGE-GDNBJRDFSA-N 0 0 326.377 3.292 50 30 EGEARN Cc1c(-c2cnn(C)c2)nc(N)c(C#N)c1-c1ccc(O)cc1Cl ZINC000071762129 291480186 /nfs/dbraw/zinc/48/01/86/291480186.db2.gz WSHVJHUTYYHTEJ-UHFFFAOYSA-N 0 0 339.786 3.270 50 30 EGEARN O=C(NC1CCCCC1)c1ccc(N=C2C(=O)CCCC2=O)cc1 ZINC000016400952 203710011 /nfs/dbraw/zinc/71/00/11/203710011.db2.gz BDEOIBRBWKGADD-UHFFFAOYSA-N 0 0 326.396 3.144 50 30 EGEARN CC(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccc(Cl)cc1 ZINC000004095208 205686895 /nfs/dbraw/zinc/68/68/95/205686895.db2.gz JTZWGHIBHXKDAG-MRXNPFEDSA-N 0 0 342.782 3.220 50 30 EGEARN C=CCc1cc(C(=O)N2CCN(c3ccccc3)CC2)ccc1OC ZINC000014401811 211736026 /nfs/dbraw/zinc/73/60/26/211736026.db2.gz JVWGMVGAVRQHJE-UHFFFAOYSA-N 0 0 336.435 3.386 50 30 EGEARN C=CC[C@]1(C(=O)[O-])CCC[N@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000092028794 218105282 /nfs/dbraw/zinc/10/52/82/218105282.db2.gz NRKPOHNONXMSFE-IBGZPJMESA-N 0 0 343.402 3.459 50 30 EGEARN C#CCn1c2ccccc2nc1[C@H]1CC(=O)N(c2ccccc2C)C1 ZINC000007425216 210799108 /nfs/dbraw/zinc/79/91/08/210799108.db2.gz LNQMRGCMULFJHY-INIZCTEOSA-N 0 0 329.403 3.498 50 30 EGEARN C[C@H]1CC(=O)C2C(=Nc3nonc3N[C@H]2c2ccc3ncccc3c2)C1 ZINC000012324838 207102533 /nfs/dbraw/zinc/10/25/33/207102533.db2.gz POWUMKGEISIKOE-QGHHPUGFSA-N 0 0 347.378 3.450 50 30 EGEARN C=CCOc1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2OC)c1 ZINC000004868885 210308397 /nfs/dbraw/zinc/30/83/97/210308397.db2.gz BTDBBOSTALSUTQ-UHFFFAOYSA-N 0 0 328.324 3.421 50 30 EGEARN C[C@H](O)[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3[C@@H](O)C[C@@]12C ZINC000257345537 258073520 /nfs/dbraw/zinc/07/35/20/258073520.db2.gz AIPVEEYYOOGTAW-BCFZLBOMSA-N 0 0 332.484 3.486 50 30 EGEARN CCOc1ccccc1-n1c(N)c(C#N)c2nc3ccccc3nc21 ZINC000000390223 276382307 /nfs/dbraw/zinc/38/23/07/276382307.db2.gz WHFAJGSHINGCJU-UHFFFAOYSA-N 0 0 329.363 3.426 50 30 EGEARN CC(C)(C)OC(=O)N1CCOc2c(C#C[Si](C)(C)C)nccc21 ZINC000169794255 277190089 /nfs/dbraw/zinc/19/00/89/277190089.db2.gz BLJXYAVCSGBWNF-UHFFFAOYSA-N 0 0 332.476 3.444 50 30 EGEARN C=CCN1c2ccccc2[C@]2(NCCc3c4cc(C)ccc4[nH]c32)C1=O ZINC000020064217 277862139 /nfs/dbraw/zinc/86/21/39/277862139.db2.gz SDAUBHXFSFYAAR-JOCHJYFZSA-N 0 0 343.430 3.398 50 30 biogenic EGEARN O=C1CCCC2=Nc3nc(-c4ccccc4)nn3[C@@H](c3cccnc3)C12 ZINC000000066960 304624413 /nfs/dbraw/zinc/62/44/13/304624413.db2.gz ZCRBSFQBTBIZCA-SFHVURJKSA-N 0 0 343.390 3.362 50 30 EGEARN Cc1c(/N=C/c2ccccc2[N+](=O)[O-])c(=O)n(-c2ccccc2)n1C ZINC000000061135 452495755 /nfs/dbraw/zinc/49/57/55/452495755.db2.gz UYEAZBSMOCQYIQ-XDHOZWIPSA-N 0 0 336.351 3.143 50 30 EGEARN CN1C(=O)N[C@@H](c2ccc(Br)cc2)C2=C1CCCC2=O ZINC000000067231 452498388 /nfs/dbraw/zinc/49/83/88/452498388.db2.gz TVYQUTVMCNDNOP-AWEZNQCLSA-N 0 0 335.201 3.152 50 30 EGEARN C=CCc1cccc2cc(C(=O)NCCc3ccccc3)c(=O)oc21 ZINC000000082776 452502525 /nfs/dbraw/zinc/50/25/25/452502525.db2.gz ADJUJJFHCFTHQZ-UHFFFAOYSA-N 0 0 333.387 3.494 50 30 EGEARN C=CCn1cnc2scc(-c3ccc(OC)c(OC)c3)c2c1=O ZINC000000148892 452523316 /nfs/dbraw/zinc/52/33/16/452523316.db2.gz FOKXEAFGXSSEBR-UHFFFAOYSA-N 0 0 328.393 3.328 50 30 EGEARN COCc1cc(C)nc(SCC(=O)Oc2ccccc2)c1C#N ZINC000000210866 452536953 /nfs/dbraw/zinc/53/69/53/452536953.db2.gz RXTPKFVAMSEKLT-UHFFFAOYSA-N 0 0 328.393 3.106 50 30 EGEARN C=CCn1c2ncn([C@@H](C)CC)c(=O)c2c2nc3ccccc3nc21 ZINC000000534096 452616440 /nfs/dbraw/zinc/61/64/40/452616440.db2.gz FQHOQKOHGCMRLU-LBPRGKRZSA-N 0 0 333.395 3.451 50 30 EGEARN COc1ccc(N2C(=O)C(=O)C(=C(C)O)[C@H]2c2ccccc2F)cc1 ZINC000000549046 452620441 /nfs/dbraw/zinc/62/04/41/452620441.db2.gz WPFMHFXJFBZQDV-QGZVFWFLSA-N 0 0 341.338 3.323 50 30 EGEARN CC(C)OC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCCCC1 ZINC000000551975 452620620 /nfs/dbraw/zinc/62/06/20/452620620.db2.gz NPRZORIXIHPTSB-CQSZACIVSA-N 0 0 338.411 3.179 50 30 EGEARN C=CCN1C(=O)/C(=C\c2cc(Cl)c(O)c(OC)c2)SC1=S ZINC000001175706 452646031 /nfs/dbraw/zinc/64/60/31/452646031.db2.gz IZBSLWKYENHXIH-YRNVUSSQSA-N 0 0 341.841 3.441 50 30 EGEARN COc1ccc(C2N=NC(=S)N2N=Cc2cccs2)cc1OC ZINC000001246324 452648998 /nfs/dbraw/zinc/64/89/98/452648998.db2.gz ORKLBFRVNKYDCT-CXUHLZMHSA-N 0 0 346.437 3.195 50 30 EGEARN Cc1cc(SCC(=O)Nc2sc3c(c2C#N)CCCC3)ncn1 ZINC000001286591 452650405 /nfs/dbraw/zinc/65/04/05/452650405.db2.gz ZWYGOKINDWAMMH-UHFFFAOYSA-N 0 0 344.465 3.328 50 30 EGEARN CSc1ccc([C@@H]2CC(=O)N(N(C)C)C3=C2C(=O)CCC3)cc1 ZINC000001429750 452663094 /nfs/dbraw/zinc/66/30/94/452663094.db2.gz HYIZIACQDLVXKS-AWEZNQCLSA-N 0 0 330.453 3.208 50 30 EGEARN N#CCCCN1C(=O)[C@](O)(c2c[nH]c3ccccc32)c2ccccc21 ZINC000002235663 452690555 /nfs/dbraw/zinc/69/05/55/452690555.db2.gz OZBGTKMCBITQRB-HXUWFJFHSA-N 0 0 331.375 3.054 50 30 EGEARN CCCCNC(=O)[C@H](C#N)c1nc2ccccc2nc1OCCCC ZINC000002368425 452695705 /nfs/dbraw/zinc/69/57/05/452695705.db2.gz UKVMVKIPKVSSSI-CQSZACIVSA-N 0 0 340.427 3.332 50 30 EGEARN N#Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3)o2)cc1 ZINC000002619313 452706077 /nfs/dbraw/zinc/70/60/77/452706077.db2.gz LDLWAPOGLJXEOA-UHFFFAOYSA-N 0 0 336.376 3.339 50 30 EGEARN NC(=S)N/N=C/c1ccc(OC(=O)c2cccc3ccccc32)cc1 ZINC000004229913 452797643 /nfs/dbraw/zinc/79/76/43/452797643.db2.gz XGMAXQCGMWPWDM-CIAFOILYSA-N 0 0 349.415 3.226 50 30 EGEARN CCSc1nc2n(n1)[C@@H](c1cccs1)C1C(=O)CCCC1=N2 ZINC000004436233 452804245 /nfs/dbraw/zinc/80/42/45/452804245.db2.gz ADVOKHDHHKZQMR-ZDUSSCGKSA-N 0 0 332.454 3.474 50 30 EGEARN Cc1ccc(C(=O)ONC(=N)c2ccc([N+](=O)[O-])cc2)c(Cl)c1 ZINC000004755242 452817388 /nfs/dbraw/zinc/81/73/88/452817388.db2.gz SGNFNHVXSZAAGN-UHFFFAOYSA-N 0 0 333.731 3.034 50 30 EGEARN O=C(Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(Cl)(Cl)Cl ZINC000004897596 452825204 /nfs/dbraw/zinc/82/52/04/452825204.db2.gz JTXXUBAUZSWINR-UHFFFAOYSA-N 0 0 328.495 3.461 50 30 EGEARN CC(C)c1ccc(N2CC(=O)C(c3nc4ccccc4[nH]3)=C2N)cc1 ZINC000005009263 452831593 /nfs/dbraw/zinc/83/15/93/452831593.db2.gz KELULDWWUVHRQL-UHFFFAOYSA-N 0 0 332.407 3.403 50 30 EGEARN COc1ccc2c(c1)CCC/C2=N\OS(=O)(=O)c1ccc(C)cc1 ZINC000005342120 452861327 /nfs/dbraw/zinc/86/13/27/452861327.db2.gz DNAQWQKSPAJSTQ-VHEBQXMUSA-N 0 0 345.420 3.450 50 30 EGEARN CCOC(=O)[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)C=CN(C)C ZINC000006349996 452936716 /nfs/dbraw/zinc/93/67/16/452936716.db2.gz HZNINJSNPLWUSB-GWJCSSMESA-N 0 0 344.238 3.360 50 30 EGEARN C=C(C)CN1c2ccccc2[C@](O)(CC(=O)c2cccs2)C1=O ZINC000006729237 452978419 /nfs/dbraw/zinc/97/84/19/452978419.db2.gz MRZWGXPWFDDXHM-GOSISDBHSA-N 0 0 327.405 3.131 50 30 EGEARN CCc1ccccc1NC(=S)N1CCN(c2ccccn2)CC1 ZINC000006871090 453000674 /nfs/dbraw/zinc/00/06/74/453000674.db2.gz IBIIGHMTVUQPOA-UHFFFAOYSA-N 0 0 326.469 3.384 50 30 EGEARN C[C@H]1CCCC[C@H]1N1CN=C(Nc2nc3ccccc3s2)NC1 ZINC000009015562 453240036 /nfs/dbraw/zinc/24/00/36/453240036.db2.gz FDWGGRWUHUOODU-GXTWGEPZSA-N 0 0 329.473 3.272 50 30 EGEARN NC1=C(c2nc(-c3ccccc3)cs2)C(=O)CN1c1ccc(O)cc1 ZINC000009423613 453252989 /nfs/dbraw/zinc/25/29/89/453252989.db2.gz KVYQKPMUKZMMQJ-UHFFFAOYSA-N 0 0 349.415 3.232 50 30 EGEARN C=CCOc1ccc([C@H]2c3c(=O)[nH][nH]c3NC3=C2C(=O)CCC3)cc1 ZINC000012347290 453357524 /nfs/dbraw/zinc/35/75/24/453357524.db2.gz NXWZTHHBIOTFNT-OAHLLOKOSA-N 0 0 337.379 3.245 50 30 EGEARN Cc1ccc(C(=O)C2C(=O)C(=O)N(C)[C@H]2c2ccc(F)cc2)cc1 ZINC000013123089 453447286 /nfs/dbraw/zinc/44/72/86/453447286.db2.gz FRWHTNXFOYTGPX-INIZCTEOSA-N 0 0 325.339 3.342 50 30 EGEARN Cc1nc2c(c(=O)[nH]1)[C@H](c1ccc(Cl)cc1)C1=C(CCCC1=O)O2 ZINC000015082930 453556116 /nfs/dbraw/zinc/55/61/16/453556116.db2.gz ZVZAGDIUZJLHNZ-CQSZACIVSA-N 0 0 342.782 3.263 50 30 EGEARN COCc1cc(C)nc(SCC(=O)N2C[C@H](C)C[C@H](C)C2)c1C#N ZINC000017885181 453639531 /nfs/dbraw/zinc/63/95/31/453639531.db2.gz CPJHTNHRWKQNCZ-BETUJISGSA-N 0 0 347.484 3.005 50 30 EGEARN O=C1C[C@H](c2cccs2)CC2=Nc3ncnn3[C@@H](c3cccnc3)C12 ZINC000018197308 453647527 /nfs/dbraw/zinc/64/75/27/453647527.db2.gz JMLDQNCADHTWMO-PXAZEXFGSA-N 0 0 349.419 3.150 50 30 EGEARN Cn1ccc(-c2cc(-c3ccc(-c4cc[nH]n4)o3)c(C#N)c(N)n2)c1 ZINC000067458670 453932670 /nfs/dbraw/zinc/93/26/70/453932670.db2.gz ZTKGQPDILLKYNE-UHFFFAOYSA-N 0 0 330.351 3.191 50 30 EGEARN Cc1cc(NC(=O)c2ccc(C#N)nc2)n(Cc2cccc(C)c2)n1 ZINC000055211877 453969847 /nfs/dbraw/zinc/96/98/47/453969847.db2.gz GWIIOVGXTHLYAL-UHFFFAOYSA-N 0 0 331.379 3.067 50 30 EGEARN CCn1nc(Cc2cccc(Cl)c2)nc1-c1cc(C#N)cn1C ZINC000096160629 454295858 /nfs/dbraw/zinc/29/58/58/454295858.db2.gz IVZOUBKHYSUDDR-UHFFFAOYSA-N 0 0 325.803 3.419 50 30 EGEARN COc1ccc(C(=O)[C@@H](C#N)c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000096336534 454319645 /nfs/dbraw/zinc/31/96/45/454319645.db2.gz ZROVILKKXRSBII-HNNXBMFYSA-N 0 0 341.363 3.211 50 30 EGEARN O=C1CCCC(NCc2ccccc2)=C1I ZINC000100682555 454466963 /nfs/dbraw/zinc/46/69/63/454466963.db2.gz UYTDBLUEWFYFLK-UHFFFAOYSA-N 0 0 327.165 3.176 50 30 EGEARN CC(C)OC(=O)C(=O)C=C(Nc1ccc(O)cc1)c1ccccc1 ZINC000100745146 454467480 /nfs/dbraw/zinc/46/74/80/454467480.db2.gz IRODDMKJKSADTG-ATVHPVEESA-N 0 0 325.364 3.366 50 30 biogenic EGEARN CCN(C(=O)c1cccc(C#CC(C)(C)O)c1)[C@H]1CCOC(C)(C)C1 ZINC000065383683 454557331 /nfs/dbraw/zinc/55/73/31/454557331.db2.gz OUKXRQHTSBZESP-SFHVURJKSA-N 0 0 343.467 3.229 50 30 EGEARN N#Cc1ccccc1NC(=O)c1ccc(O[C@@H]2CCSC2)nc1 ZINC000225713800 456105829 /nfs/dbraw/zinc/10/58/29/456105829.db2.gz PGOKRPZTVBAQOX-CQSZACIVSA-N 0 0 325.393 3.090 50 30 EGEARN CCOC(=O)C(Cc1ccccc1)N=Nc1ccc([N+](=O)[O-])cc1 ZINC000004765624 520397958 /nfs/dbraw/zinc/39/79/58/520397958.db2.gz JUBOEJUOHIMJKT-MNDPQUGUSA-N 0 0 327.340 3.169 50 30 EGEARN CCOc1ccc(N=C(CC(=O)c2ccccc2)C(=O)OC)cc1 ZINC000100704234 521029815 /nfs/dbraw/zinc/02/98/15/521029815.db2.gz QGMPDKRBZAKPBU-GHRIWEEISA-N 0 0 325.364 3.437 50 30 EGEARN CC[C@H](Oc1ccccc1)C(=O)ONC(=N)c1ccc(Cl)cc1 ZINC000004986154 522889671 /nfs/dbraw/zinc/88/96/71/522889671.db2.gz DXPGXQMYLVFOBN-HNNXBMFYSA-N 0 0 332.787 3.361 50 30 EGEARN CNC(=S)N=NCc1cccc(OC)c1OCc1ccccc1 ZINC000005486362 523673105 /nfs/dbraw/zinc/67/31/05/523673105.db2.gz UIJKAMNTOLNQRK-ODLFYWEKSA-N 0 0 329.425 3.113 50 30 EGEARN N=C(NOC(=O)C1CCCCC1)c1cccc(Br)c1 ZINC000004833533 526806208 /nfs/dbraw/zinc/80/62/08/526806208.db2.gz UHKICGFKSRJQOJ-UHFFFAOYSA-N 0 0 325.206 3.193 50 30 EGEARN C[C@H]1CCC(=O)N1c1cccc(NC(=O)c2cc(F)cc(C#N)c2)c1 ZINC000826768239 1320403324 /nfs/dbraw/zinc/40/33/24/1320403324.db2.gz KLYXDVQXIIXHBL-LBPRGKRZSA-N 0 0 337.354 3.465 50 30 EGEARN C=C(C)COc1ccccc1C(=O)N[C@H](C)c1cn2ncsc2n1 ZINC000055327800 214307144 /nfs/dbraw/zinc/30/71/44/214307144.db2.gz ARQAFSPKUYHDMI-GFCCVEGCSA-N 0 0 342.424 3.237 50 30 EGEARN C#CCN1C(=O)S/C(=C\c2ccc(OCC)c(OCC)c2)C1=O ZINC000004599358 210230119 /nfs/dbraw/zinc/23/01/19/210230119.db2.gz IMBFYELGWYXHHR-PTNGSMBKSA-N 0 0 331.393 3.154 50 30 EGEARN CSc1ncc(-c2c(C)c(-c3ccc(O)cc3)nc(N)c2C#N)cn1 ZINC000071738748 295690501 /nfs/dbraw/zinc/69/05/01/295690501.db2.gz XAAFTACTPHRXIY-UHFFFAOYSA-N 0 0 349.419 3.395 50 30 EGEARN COc1ccc(-n2cccc2CN=Nc2ccc([N+](=O)[O-])cn2)cc1 ZINC000004561889 210221989 /nfs/dbraw/zinc/22/19/89/210221989.db2.gz QBIUJAMLUCRMKA-XDHOZWIPSA-N 0 0 337.339 3.235 50 30 EGEARN Cc1nn(C)c(C)c1C(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000002781778 282258033 /nfs/dbraw/zinc/25/80/33/282258033.db2.gz BBBUOUFJLBFUPK-VIFPVBQESA-N 0 0 328.441 3.347 50 30 EGEARN CC(C)(C)c1ccc(/C(=N\O)N[C@H](O)C(Cl)(Cl)Cl)cc1 ZINC000004280844 210160478 /nfs/dbraw/zinc/16/04/78/210160478.db2.gz HDLUQWIUNMLYAN-LLVKDONJSA-N 0 0 339.650 3.398 50 30 EGEARN C=CCOc1ccc(/C=C2\SC(=S)N(CC)C2=O)cc1OC ZINC000003765771 210072901 /nfs/dbraw/zinc/07/29/01/210072901.db2.gz CHKMLALALLFCAR-UVTDQMKNSA-N 0 0 335.450 3.481 50 30 EGEARN C=CCNc1oc(-c2ccco2)nc1S(=O)(=O)c1ccccc1 ZINC000002866647 209930279 /nfs/dbraw/zinc/93/02/79/209930279.db2.gz DHIJCRISWSWYQG-UHFFFAOYSA-N 0 0 330.365 3.365 50 30 EGEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1cccnc1 ZINC000019798334 202020719 /nfs/dbraw/zinc/02/07/19/202020719.db2.gz AUPNIRRJIDXNBS-SFHVURJKSA-N 0 0 340.423 3.393 50 30 EGEARN Cc1cccc(/C=C2\SC(=O)N(Cc3ccccc3C#N)C2=O)n1 ZINC000020418321 202041615 /nfs/dbraw/zinc/04/16/15/202041615.db2.gz DTUAVJFNZZSBMJ-SXGWCWSVSA-N 0 0 335.388 3.498 50 30 EGEARN N#Cc1ccccc1NC(=O)c1cc2c(nc3ccccn3c2=O)s1 ZINC000000426855 283216871 /nfs/dbraw/zinc/21/68/71/283216871.db2.gz PEAFWKRQHKFAFW-UHFFFAOYSA-N 0 0 346.371 3.033 50 30 EGEARN C=CCN1C(=O)N/C(=C/c2cc(Cl)c(OC)c(Cl)c2)C1=O ZINC000000479404 209626731 /nfs/dbraw/zinc/62/67/31/209626731.db2.gz FBXSYLBVXVETOO-YRNVUSSQSA-N 0 0 327.167 3.081 50 30 EGEARN O=C(C=C1NCCc2cc3c(cc21)OCCCO3)c1cccs1 ZINC000005422450 283727700 /nfs/dbraw/zinc/72/77/00/283727700.db2.gz MGCQVZDZJYBPOR-KAMYIIQDSA-N 0 0 327.405 3.279 50 30 EGEARN C[C@H]1CCc2c(C#N)c(NC(=O)CSc3ncccn3)sc2C1 ZINC000000077241 201430687 /nfs/dbraw/zinc/43/06/87/201430687.db2.gz WLAOQTKHMAJDDK-JTQLQIEISA-N 0 0 344.465 3.265 50 30 EGEARN CC[C@H](Sc1nc(C)cc(C)n1)C(=O)Nc1ccccc1C#N ZINC000000074628 201430696 /nfs/dbraw/zinc/43/06/96/201430696.db2.gz BAJJJVAMGZBOAB-HNNXBMFYSA-N 0 0 326.425 3.475 50 30 EGEARN Cc1ccc(S(=O)(=O)O/N=C2/C=C(C)C(=O)C=C2C(C)C)cc1 ZINC000004755018 201616568 /nfs/dbraw/zinc/61/65/68/201616568.db2.gz AVPOYHHAAUBXSV-VLGSPTGOSA-N 0 0 333.409 3.168 50 30 EGEARN COc1nccc(N2CCO[C@@H](c3ccc(Cl)cc3)C2)c1C#N ZINC000071767660 203112225 /nfs/dbraw/zinc/11/22/25/203112225.db2.gz XHOYHQRTHGJMDJ-MRXNPFEDSA-N 0 0 329.787 3.193 50 30 EGEARN COc1c2cc(C)ccc2ncc1S(=O)(=O)c1ccc(C#N)cc1 ZINC000072332521 203202267 /nfs/dbraw/zinc/20/22/67/203202267.db2.gz HDQXOZHCAOCSDW-UHFFFAOYSA-N 0 0 338.388 3.256 50 30 EGEARN O=C(Cc1nc2cc(Cl)ccc2oc1=O)c1cccc([N+](=O)[O-])c1 ZINC000100820663 203998404 /nfs/dbraw/zinc/99/84/04/203998404.db2.gz NBHIEORUQOHYLL-MDWZMJQESA-N 0 0 344.710 3.346 50 30 EGEARN Cc1c(/N=C/c2cc3c(cc2[N+](=O)[O-])OCO3)cccc1[N+](=O)[O-] ZINC000102887058 204052668 /nfs/dbraw/zinc/05/26/68/204052668.db2.gz BJNZTYLOMGRMNP-FRKPEAEDSA-N 0 0 329.268 3.291 50 30 EGEARN C=CCOc1ccc(C2N3CC4(C)CN2CC(CCC)(C3)C4=O)cc1 ZINC000019320861 212015862 /nfs/dbraw/zinc/01/58/62/212015862.db2.gz FXWHBBIPAALMDU-UHFFFAOYSA-N 0 0 340.467 3.257 50 30 EGEARN C#Cc1cccc(C(=O)N2CCc3[nH]nc(-c4ccccc4F)c3C2)c1 ZINC000012298400 211336940 /nfs/dbraw/zinc/33/69/40/211336940.db2.gz STKSVRHJLXTLBB-UHFFFAOYSA-N 0 0 345.377 3.396 50 30 EGEARN C#Cc1cccc(C(=O)N2CCc3[nH]nc(-c4cccc(F)c4)c3C2)c1 ZINC000011820311 211252437 /nfs/dbraw/zinc/25/24/37/211252437.db2.gz GWJPBBUIEDIVFS-UHFFFAOYSA-N 0 0 345.377 3.396 50 30 EGEARN O=C1C[C@@H](c2ccc(F)c(Br)c2)C2=C(CCCC2=O)N1 ZINC000004035135 296344272 /nfs/dbraw/zinc/34/42/72/296344272.db2.gz MTZZTRDCNCCHMR-VIFPVBQESA-N 0 0 338.176 3.199 50 30 EGEARN COc1cc([C@H]2CC(=O)OC3=C2C(=O)CC(C)(C)C3)cc(OC)c1O ZINC000524731412 257843541 /nfs/dbraw/zinc/84/35/41/257843541.db2.gz WQSFHKYZXFETEH-LLVKDONJSA-N 0 0 346.379 3.083 50 30 biogenic EGEARN Oc1ccc(N2CCN(C(=S)NCCc3ccccc3)CC2)cc1 ZINC000013483218 258056076 /nfs/dbraw/zinc/05/60/76/258056076.db2.gz UYRKTXJAOGZAQE-UHFFFAOYSA-N 0 0 341.480 3.043 50 30 EGEARN N#Cc1ccc(NC(=O)C(=O)N2CCCCC[C@H]2c2ccncc2)cc1 ZINC000193881920 153312092 /nfs/dbraw/zinc/31/20/92/153312092.db2.gz KRHPQMVUQSGLEK-SFHVURJKSA-N 0 0 348.406 3.036 50 30 EGEARN CCSc1nc2n(n1)[C@H](c1cccc(O)c1)C1C(=O)CCCC1=N2 ZINC000004436171 286723682 /nfs/dbraw/zinc/72/36/82/286723682.db2.gz YSPKITCYEARGPE-OAHLLOKOSA-N 0 0 342.424 3.118 50 30 EGEARN O=C1CCCC1=C(NN=c1[nH]c2ccccc2s1)C(F)(F)F ZINC000025185907 275017512 /nfs/dbraw/zinc/01/75/12/275017512.db2.gz FMOFOTFRZCGYAB-PCYGDGQFSA-N 0 0 327.331 3.418 50 30 EGEARN Cc1csc(C2=C(N)N([C@H]3CCCc4ccccc43)CC2=O)n1 ZINC000013684556 279040241 /nfs/dbraw/zinc/04/02/41/279040241.db2.gz MAXUSTVSANLGCS-AWEZNQCLSA-N 0 0 325.437 3.041 50 30 EGEARN CC(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccccc1Cl ZINC000000351066 452568608 /nfs/dbraw/zinc/56/86/08/452568608.db2.gz YZAQZFXQYKJJIZ-MRXNPFEDSA-N 0 0 342.782 3.220 50 30 EGEARN COc1ccc(N2C(=O)C(=O)C(=C(C)O)[C@H]2c2ccc(F)cc2)cc1 ZINC000000443576 452592685 /nfs/dbraw/zinc/59/26/85/452592685.db2.gz RCTFKTKAHCETDG-QGZVFWFLSA-N 0 0 341.338 3.323 50 30 EGEARN CCOC(=O)C1=C2CCCC[C@@H]2[C@@H](c2ccccc2)C(C#N)(C#N)C1=O ZINC000000507108 452610595 /nfs/dbraw/zinc/61/05/95/452610595.db2.gz REIBZBDQMVFGEB-FUHWJXTLSA-N 0 0 348.402 3.436 50 30 EGEARN CCOc1cc(/C=N/n2cnnc2)ccc1OCc1ccc(C)cc1 ZINC000001789205 452678638 /nfs/dbraw/zinc/67/86/38/452678638.db2.gz YJBABAZUKWTACY-SSDVNMTOSA-N 0 0 336.395 3.446 50 30 EGEARN C=CCNC(=O)COc1ccc2c(c1)oc(=O)cc2-c1ccccc1 ZINC000002151663 452687762 /nfs/dbraw/zinc/68/77/62/452687762.db2.gz MWMJPRSMQMGBGZ-UHFFFAOYSA-N 0 0 335.359 3.141 50 30 biogenic EGEARN C=CCOC(=O)C1=C(C)N=C2S[C@@H](C)C(=O)N2[C@@H]1c1ccccc1 ZINC000002463599 452698974 /nfs/dbraw/zinc/69/89/74/452698974.db2.gz RCILNRDSPVBPFY-SWLSCSKDSA-N 0 0 342.420 3.064 50 30 EGEARN O=C1c2ccccc2C(=O)C1=CNc1ccc(Br)cn1 ZINC000002539521 452703639 /nfs/dbraw/zinc/70/36/39/452703639.db2.gz WELPJGXBYYLQJA-UHFFFAOYSA-N 0 0 329.153 3.219 50 30 EGEARN C=CCNC(=O)c1sc(=S)n(-c2ccc(OCC)cc2)c1N ZINC000002597504 452706281 /nfs/dbraw/zinc/70/62/81/452706281.db2.gz GFFUJHWMVNAPQR-UHFFFAOYSA-N 0 0 335.454 3.165 50 30 EGEARN Cc1sc(NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C#N)c1C ZINC000003087676 452741927 /nfs/dbraw/zinc/74/19/27/452741927.db2.gz HXEAXLLWMGATOL-UHFFFAOYSA-N 0 0 346.324 3.305 50 30 EGEARN C[C@H]1CCc2sc(NC(=O)c3ccc(C#N)cc3)c(C(N)=O)c2C1 ZINC000004071942 452789843 /nfs/dbraw/zinc/78/98/43/452789843.db2.gz MRJSREBUHWFHCU-JTQLQIEISA-N 0 0 339.420 3.096 50 30 EGEARN C[C@@H]1CCc2sc(NC(=O)c3ccc(C#N)cc3)c(C(N)=O)c2C1 ZINC000004071940 452789913 /nfs/dbraw/zinc/78/99/13/452789913.db2.gz MRJSREBUHWFHCU-SNVBAGLBSA-N 0 0 339.420 3.096 50 30 EGEARN C=CCN1C(=O)[C@@H](Cc2ccccc2)S/C1=N/N=C/c1ccco1 ZINC000004075948 452793535 /nfs/dbraw/zinc/79/35/35/452793535.db2.gz FNZMMCQYVQMZBQ-QHUXICGISA-N 0 0 339.420 3.342 50 30 EGEARN N#CCSc1nc2ccsc2c(=O)n1Cc1ccc(F)cc1 ZINC000004262931 452796942 /nfs/dbraw/zinc/79/69/42/452796942.db2.gz BUNAWQNRHACFHM-UHFFFAOYSA-N 0 0 331.397 3.261 50 30 EGEARN CCOc1ccc(OC)c(/C=N/NC(=S)NC2CCCCC2)c1 ZINC000004229733 452797066 /nfs/dbraw/zinc/79/70/66/452797066.db2.gz PGECZKGEFYVANM-LDADJPATSA-N 0 0 335.473 3.225 50 30 EGEARN Cn1c(=O)c2c3c(sc2nc1N/N=C/c1ccccc1)CCCC3 ZINC000004676667 452812784 /nfs/dbraw/zinc/81/27/84/452812784.db2.gz PQAJJFVWBXHBBF-YBFXNURJSA-N 0 0 338.436 3.320 50 30 EGEARN COc1ccc(C(=O)C2=C(O)C(=O)N(C)[C@@H]2c2ccccc2F)cc1 ZINC000005686966 452895658 /nfs/dbraw/zinc/89/56/58/452895658.db2.gz IVEINLILFNDPTH-MRXNPFEDSA-N 0 0 341.338 3.042 50 30 EGEARN O=S(=O)(O/N=C1/CCCc2occc21)c1ccc(Cl)cc1 ZINC000006221853 452927388 /nfs/dbraw/zinc/92/73/88/452927388.db2.gz VMWVVIPXLUGVQP-SSZFMOIBSA-N 0 0 325.773 3.379 50 30 EGEARN Cc1cc(C2N=NC(=S)N2N=Cc2ccc(C(C)C)cc2)n[nH]1 ZINC000006786166 452988453 /nfs/dbraw/zinc/98/84/53/452988453.db2.gz DQRGQUPSCNUVCX-RQZCQDPDSA-N 0 0 326.429 3.271 50 30 EGEARN CCOc1cc(C=Nn2cnnc2)ccc1OCCc1ccccc1 ZINC000008573161 453217921 /nfs/dbraw/zinc/21/79/21/453217921.db2.gz GVEFZRAMXFRSMS-UHFFFAOYSA-N 0 0 336.395 3.181 50 30 EGEARN COC(=O)c1cc(-c2cccs2)nc2c1c(C)nn2CCC#N ZINC000012396331 453359730 /nfs/dbraw/zinc/35/97/30/453359730.db2.gz MJEYMKJBORAUMG-UHFFFAOYSA-N 0 0 326.381 3.169 50 30 EGEARN CC/N=C1\S/C(=C\c2ccc(OCC)c(OC)c2)C(=O)N1CC ZINC000012438666 453362178 /nfs/dbraw/zinc/36/21/78/453362178.db2.gz BQUSWPRZNCNLHE-NPAMKKHASA-N 0 0 334.441 3.406 50 30 EGEARN CC/N=C1\S[C@@H](C(=O)Nc2cccc(Cl)c2)CC(=O)N1CC ZINC000013151501 453450132 /nfs/dbraw/zinc/45/01/32/453450132.db2.gz XGQLTKNFSZOXLH-UWENYHRYSA-N 0 0 339.848 3.008 50 30 EGEARN Cn1ncc(/N=C/c2ccc([N+](=O)[O-])cc2)c1C(=O)Nc1ccccc1 ZINC000015985206 453590503 /nfs/dbraw/zinc/59/05/03/453590503.db2.gz LGROVXCCVVWPGB-YBFXNURJSA-N 0 0 349.350 3.331 50 30 EGEARN COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc2[nH]ccc2c1 ZINC000032073178 453862873 /nfs/dbraw/zinc/86/28/73/453862873.db2.gz CROYPWBRXLWGEJ-SFHVURJKSA-N 0 0 336.391 3.309 50 30 EGEARN N#Cc1ccc(-c2nc([C@H]3CC(=O)N(c4cccc(F)c4)C3)no2)cc1 ZINC000044213953 454092237 /nfs/dbraw/zinc/09/22/37/454092237.db2.gz QJPIXDXTGCTYDK-AWEZNQCLSA-N 0 0 348.337 3.268 50 30 EGEARN C=CCc1cc(-c2c(C)c(-c3cnn(C)c3)nc(N)c2C#N)ccc1O ZINC000071479667 454207639 /nfs/dbraw/zinc/20/76/39/454207639.db2.gz CIYDBDFHNRCFBN-UHFFFAOYSA-N 0 0 345.406 3.346 50 30 EGEARN Cc1c(-c2cnn(C)c2)nc(N)c(C#N)c1-c1cc2ccccc2n1C ZINC000071735656 454211666 /nfs/dbraw/zinc/21/16/66/454211666.db2.gz CKEZRVOFWJTRII-UHFFFAOYSA-N 0 0 342.406 3.403 50 30 EGEARN C#CCn1c2c(cccc2OC)s/c1=N\C(=O)c1ccc(F)cc1 ZINC000100909881 454468581 /nfs/dbraw/zinc/46/85/81/454468581.db2.gz QOOYBPUOKNXVKS-ZZEZOPTASA-N 0 0 340.379 3.225 50 30 EGEARN O=C(/C=C/c1cn(C2CCC2)nn1)c1nc(Br)cs1 ZINC000585135769 459827999 /nfs/dbraw/zinc/82/79/99/459827999.db2.gz ASUCNEQPINDRBM-SNAWJCMRSA-N 0 0 339.218 3.118 50 30 EGEARN C(=NN=c1cc(N2CCCC2)[nH]c(N2CCCC2)n1)c1cccs1 ZINC000252320853 518379376 /nfs/dbraw/zinc/37/93/76/518379376.db2.gz XNTNQJBEXZYALP-UHFFFAOYSA-N 0 0 342.472 3.185 50 30 EGEARN CCCC[C@@H](CC)CN1CC(=O)C(c2nc3ccccc3[nH]2)=C1N ZINC000005009544 521027128 /nfs/dbraw/zinc/02/71/28/521027128.db2.gz AQWJTTFKLWETEW-CYBMUJFWSA-N 0 0 326.444 3.291 50 30 EGEARN Cc1ccc2c(c1)[C@](O)(CC(=O)C=CC=Cc1ccccc1)C(=O)N2 ZINC000004029725 526213142 /nfs/dbraw/zinc/21/31/42/526213142.db2.gz OIXSHZJIDWYQQO-FRTMFBJGSA-N 0 0 333.387 3.364 50 30 biogenic EGEARN COc1ccc(C(=O)N2CCCC[C@@H]2[C@H](C#N)c2ccccc2)cn1 ZINC000072297930 546570155 /nfs/dbraw/zinc/57/01/55/546570155.db2.gz XWRZJENCIOTAHZ-QZTJIDSGSA-N 0 0 335.407 3.392 50 30 EGEARN CCC/C(=N\OCC)[C@@H]1C(=O)CC(C)(C)[C@H](c2cc(C)no2)C1=O ZINC000102909758 1292985484 /nfs/dbraw/zinc/98/54/84/1292985484.db2.gz PRMMBWKGPFIKKP-VTLGGBRFSA-N 0 0 334.416 3.444 50 30 EGEARN C=C1CCC(NS(=O)(=O)c2ccc(-c3coc(C)n3)cc2)CC1 ZINC000618256072 1298099132 /nfs/dbraw/zinc/09/91/32/1298099132.db2.gz COAXNYGSRTXKLL-UHFFFAOYSA-N 0 0 332.425 3.427 50 30 EGEARN C[C@@H]1CCC(=O)N1c1cccc(NC(=O)c2cc(F)cc(C#N)c2)c1 ZINC000826768238 1320403141 /nfs/dbraw/zinc/40/31/41/1320403141.db2.gz KLYXDVQXIIXHBL-GFCCVEGCSA-N 0 0 337.354 3.465 50 30 EGEARN C=C(C)COc1ccccc1C(=O)N[C@@H](CC(C)C)c1ncnn1C ZINC000055254684 214296947 /nfs/dbraw/zinc/29/69/47/214296947.db2.gz SRFNDNGSRBHXHL-INIZCTEOSA-N 0 0 342.443 3.287 50 30 EGEARN C=CCNc1ccccc1C(=O)N[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000055369335 214313295 /nfs/dbraw/zinc/31/32/95/214313295.db2.gz UUBHAHZWRZXKOY-HNNXBMFYSA-N 0 0 347.422 3.356 50 30 EGEARN C=CCN(Cc1ccccc1C)C(=O)c1ccc2c(c1)ncn2CCO ZINC000055386280 214315775 /nfs/dbraw/zinc/31/57/75/214315775.db2.gz DGIBPZGJPJWMTC-UHFFFAOYSA-N 0 0 349.434 3.165 50 30 EGEARN C#CCOc1ccc(/C=C2\C(=O)ON=C2c2ccccc2)cc1OCC ZINC000016246864 201972776 /nfs/dbraw/zinc/97/27/76/201972776.db2.gz KJFINNGFUSDIDS-LGMDPLHJSA-N 0 0 347.370 3.442 50 30 EGEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(O)cc1 ZINC000019229019 290922176 /nfs/dbraw/zinc/92/21/76/290922176.db2.gz VTNYBNGREGVNLD-QGZVFWFLSA-N 0 0 341.407 3.169 50 30 EGEARN C[C@@H]1CN(c2oc(/C=C/c3ccc(F)cc3)nc2C#N)C[C@H](C)O1 ZINC000020446580 202042135 /nfs/dbraw/zinc/04/21/35/202042135.db2.gz GPFDELKVSAPDOX-CZXYNIEVSA-N 0 0 327.359 3.469 50 30 EGEARN CCOC(=O)[C@H](C#N)c1nnc(-c2ccccc2)c(-c2ccccc2)n1 ZINC000023114656 202097447 /nfs/dbraw/zinc/09/74/47/202097447.db2.gz KDWCQZSXFUCTDL-MRXNPFEDSA-N 0 0 344.374 3.376 50 30 EGEARN CCC#CCN1CCOc2c(O)cc(-c3nc(C)cnc3C)cc2C1 ZINC000067473424 202135716 /nfs/dbraw/zinc/13/57/16/202135716.db2.gz IAPLHURKTUEXFS-UHFFFAOYSA-N 0 0 337.423 3.074 50 30 EGEARN Cc1ccc(Sc2ccc(/C=N/[C@@H]3CCS(=O)(=O)C3)o2)cc1 ZINC000032593344 202227703 /nfs/dbraw/zinc/22/77/03/202227703.db2.gz JYWJRGHIKMAPON-VGSSETLESA-N 0 0 335.450 3.345 50 30 EGEARN C=CCn1nc(C(=O)[O-])c2c1CC[C@@H]([N@@H+]1CCC(CC)(CC)C1)C2 ZINC000067850940 202347267 /nfs/dbraw/zinc/34/72/67/202347267.db2.gz JFEUJSCUDVJYJM-CQSZACIVSA-N 0 0 331.460 3.137 50 30 EGEARN COc1ccc(C(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)c([O-])c1 ZINC000004044989 201359900 /nfs/dbraw/zinc/35/99/00/201359900.db2.gz NHIYSMJCFMKYPL-VMPITWQZSA-N 0 0 344.363 3.323 50 30 biogenic EGEARN C[C@](O)(C#C[C@](O)(c1ccccc1)C(F)(F)F)c1ccccc1F ZINC000004334545 291334528 /nfs/dbraw/zinc/33/45/28/291334528.db2.gz YZRQUFKFGIXVJU-IRXDYDNUSA-N 0 0 338.300 3.487 50 30 EGEARN Cc1ccc(C(=O)c2coc3c2C(=O)C(=O)C(Br)=C3)cc1 ZINC000002075174 201524592 /nfs/dbraw/zinc/52/45/92/201524592.db2.gz WKICJUBXSOGMSG-UHFFFAOYSA-N 0 0 345.148 3.320 50 30 EGEARN CCOc1ccc(S(=O)(=O)N=C(NC(C)C)c2ccccc2)cc1 ZINC000004247666 201595015 /nfs/dbraw/zinc/59/50/15/201595015.db2.gz OBUCDHATOVZJOM-UHFFFAOYSA-N 0 0 346.452 3.219 50 30 EGEARN COc1cccc(-n2c(SCC#N)nc3ccsc3c2=O)c1 ZINC000071768734 203111779 /nfs/dbraw/zinc/11/17/79/203111779.db2.gz AZURLCLFSMHTQR-UHFFFAOYSA-N 0 0 329.406 3.071 50 30 EGEARN CCOc1cc(-c2cc(-c3c(C)n[nH]c3C)nc(N)c2C#N)ccc1O ZINC000071575788 203099772 /nfs/dbraw/zinc/09/97/72/203099772.db2.gz KDLWAMQDIHNRAK-UHFFFAOYSA-N 0 0 349.394 3.314 50 30 EGEARN CCCn1cnnc1[C@@H](C)NC(=O)Nc1ccc(C#N)cc1CC ZINC000095521020 203755559 /nfs/dbraw/zinc/75/55/59/203755559.db2.gz MJJYALYQSIRHLN-GFCCVEGCSA-N 0 0 326.404 3.005 50 30 EGEARN CN(C)/C=N/c1ncc(C(=O)c2sccc2Br)s1 ZINC000100914816 204000664 /nfs/dbraw/zinc/00/06/64/204000664.db2.gz SHWLUHKMLKYSIN-MKMNVTDBSA-N 0 0 344.259 3.420 50 30 EGEARN C=CCN(CC=C)C(=O)c1cn(Cc2cccc3ccccc32)nn1 ZINC000012000481 211278058 /nfs/dbraw/zinc/27/80/58/211278058.db2.gz YWWGJESAVPDPBM-UHFFFAOYSA-N 0 0 332.407 3.294 50 30 EGEARN C=CC[C@]1(CO)CCCN(C(=O)Cc2cc(F)c(F)cc2Cl)C1 ZINC000091781796 218065472 /nfs/dbraw/zinc/06/54/72/218065472.db2.gz XVBBETPQDZFVTN-KRWDZBQOSA-N 0 0 343.801 3.338 50 30 EGEARN C=CCc1c(C)nc(Nc2nc(C)c3cc(C)cc(C)c3n2)[nH]c1=O ZINC000009936632 211135173 /nfs/dbraw/zinc/13/51/73/211135173.db2.gz GMKLSXRTUUAEOD-UHFFFAOYSA-N 0 0 335.411 3.419 50 30 EGEARN C=CCc1cccc2cc(-c3nc4ccccc4c(=O)[nH]3)c(=O)oc21 ZINC000005095344 210388582 /nfs/dbraw/zinc/38/85/82/210388582.db2.gz AALQNWIWRDYWNK-UHFFFAOYSA-N 0 0 330.343 3.425 50 30 EGEARN C=CCn1c2nc3ccccc3nc2c(C#N)c1NC(=O)c1ccco1 ZINC000004822109 210287694 /nfs/dbraw/zinc/28/76/94/210287694.db2.gz LFXSVQMEYVWZHW-UHFFFAOYSA-N 0 0 343.346 3.487 50 30 EGEARN N#Cc1ccc(N2CCC[C@](CO)(Cc3ccc(F)cc3F)C2)nc1 ZINC000067804455 132813011 /nfs/dbraw/zinc/81/30/11/132813011.db2.gz ZXVDZBIRGXWYOV-IBGZPJMESA-N 0 0 343.377 3.053 50 30 EGEARN COc1ccc(Nc2c(C#N)c3c(c4nncn42)COC(C)(C)C3)cc1 ZINC000015106156 286337218 /nfs/dbraw/zinc/33/72/18/286337218.db2.gz SIUPYUICBPZPBF-UHFFFAOYSA-N 0 0 349.394 3.204 50 30 EGEARN C=CCOc1c(CNc2ccc3[nH]c(=O)[nH]c3c2)cccc1OC ZINC000005126847 262516252 /nfs/dbraw/zinc/51/62/52/262516252.db2.gz RHKMXYKBGIWPTN-UHFFFAOYSA-N 0 0 325.368 3.042 50 30 EGEARN C=CCN1c2ccccc2N[C@@H]2[C@@H]1[C@H](C(C)=O)C(=O)N2c1ccccc1 ZINC000004624370 275746203 /nfs/dbraw/zinc/74/62/03/275746203.db2.gz DDDSBDPXUPSYNO-UFYCRDLUSA-N 0 0 347.418 3.051 50 30 EGEARN CCc1ccc([C@@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)CCC3)s1 ZINC000000108065 288549130 /nfs/dbraw/zinc/54/91/30/288549130.db2.gz TVFAUPFMXXIZAH-QGZVFWFLSA-N 0 0 331.437 3.451 50 30 EGEARN C[C@@](O)(C#C[C@](O)(c1ccccc1)C(F)(F)F)c1cccc(F)c1 ZINC000002379383 289110602 /nfs/dbraw/zinc/11/06/02/289110602.db2.gz HHUJOCNZCDDYGB-SJORKVTESA-N 0 0 338.300 3.487 50 30 EGEARN CN(C)N1C(=O)C[C@H](c2ccccc2F)C2=C1CC(C)(C)CC2=O ZINC000001422738 289227397 /nfs/dbraw/zinc/22/73/97/289227397.db2.gz WAKMBWRNCKWQBL-CYBMUJFWSA-N 0 0 330.403 3.261 50 30 EGEARN COc1ccc(-c2[nH]nc3c2[C@@H](c2ccccc2C#N)CC(=O)N3)cc1 ZINC000065405268 295048652 /nfs/dbraw/zinc/04/86/52/295048652.db2.gz ZFUMMTNFKBAOCL-MRXNPFEDSA-N 0 0 344.374 3.431 50 30 EGEARN COc1ccc([C@H]2Nc3nonc3N=C3CC(C)(C)CC(=O)C32)cc1 ZINC000012408712 295251219 /nfs/dbraw/zinc/25/12/19/295251219.db2.gz IMJBNIWEJHIGLE-OAHLLOKOSA-N 0 0 340.383 3.300 50 30 EGEARN C[C@](O)(C#C[C@@](O)(c1ccccc1)C(F)(F)F)c1ccc(F)cc1 ZINC000004334550 300724564 /nfs/dbraw/zinc/72/45/64/300724564.db2.gz DZVAPKOQXBBGKD-DLBZAZTESA-N 0 0 338.300 3.487 50 30 EGEARN Brc1ccccc1C=NN1CCN(c2ccccn2)CC1 ZINC000238923851 455260458 /nfs/dbraw/zinc/26/04/58/455260458.db2.gz PNRMBEJYEILTKO-UHFFFAOYSA-N 0 0 345.244 3.000 50 30 EGEARN COc1ccccc1/C=N/N1C(=O)c2cccc3cccc(c32)C1=O ZINC000000059220 452495766 /nfs/dbraw/zinc/49/57/66/452495766.db2.gz UCIHEFNZEMOEGR-CIAFOILYSA-N 0 0 330.343 3.479 50 30 EGEARN Oc1ccc(/C=N/c2ccc(I)cc2)cc1O ZINC000000046043 452496742 /nfs/dbraw/zinc/49/67/42/452496742.db2.gz UFDISULNKHRZOO-OVCLIPMQSA-N 0 0 339.132 3.453 50 30 EGEARN CC(O)=C1C(=O)C(=O)N(c2ccc(O)cc2)[C@@H]1c1cccc(F)c1 ZINC000000080212 452500708 /nfs/dbraw/zinc/50/07/08/452500708.db2.gz NMZKQWZQSHTDQX-MRXNPFEDSA-N 0 0 327.311 3.020 50 30 EGEARN CCOC(=O)[C@H](C#N)[C@@]1(c2ccc(OC)cc2)CCOC(C)(C)C1 ZINC000000209737 452537589 /nfs/dbraw/zinc/53/75/89/452537589.db2.gz GHWOYMJONOHRTR-LPHOPBHVSA-N 0 0 331.412 3.225 50 30 EGEARN CCOc1cc(C#N)c(Br)c(Br)c1OC ZINC000000296151 452557212 /nfs/dbraw/zinc/55/72/12/452557212.db2.gz BXSCLRPCJWDQOV-UHFFFAOYSA-N 0 0 334.995 3.491 50 30 EGEARN COc1ccc(CCNc2oc(-c3ccco3)nc2C#N)cc1OC ZINC000000539817 452618409 /nfs/dbraw/zinc/61/84/09/452618409.db2.gz QSRXVEWIHCIHOB-UHFFFAOYSA-N 0 0 339.351 3.478 50 30 EGEARN CSc1ccc([C@H]2CC(=O)N(N(C)C)C3=C2C(=O)CCC3)cc1 ZINC000001429749 452664367 /nfs/dbraw/zinc/66/43/67/452664367.db2.gz HYIZIACQDLVXKS-CQSZACIVSA-N 0 0 330.453 3.208 50 30 EGEARN CCNC(=S)N/N=C/c1ccc(OCc2ccc(C)cc2)cc1 ZINC000002531737 452703766 /nfs/dbraw/zinc/70/37/66/452703766.db2.gz QHQIKGMJIVCINA-UDWIEESQSA-N 0 0 327.453 3.392 50 30 EGEARN COC(=O)NC(Nc1ccc(F)cc1)(C(F)(F)F)C(F)(F)F ZINC000003103338 452742784 /nfs/dbraw/zinc/74/27/84/452742784.db2.gz IUYWXDWUZWSPSX-UHFFFAOYSA-N 0 0 334.191 3.415 50 30 EGEARN CCOc1ccc(CN=Nc2nnc3c4ccccc4n(C)c3n2)cc1 ZINC000004457684 452805080 /nfs/dbraw/zinc/80/50/80/452805080.db2.gz HPZFUUNZRNUVDU-UDWIEESQSA-N 0 0 346.394 3.361 50 30 EGEARN COc1ccc(S(=O)(=O)N/N=C(\C)c2ccc(Cl)s2)cc1 ZINC000004651771 452810306 /nfs/dbraw/zinc/81/03/06/452810306.db2.gz IWIHZXLGLSWTME-OQLLNIDSSA-N 0 0 344.845 3.113 50 30 EGEARN COc1ccc(/C=N/n2cnc3sc4c(c3c2=O)CCCC4)cc1 ZINC000004738410 452814536 /nfs/dbraw/zinc/81/45/36/452814536.db2.gz ROYBBHPMRLZJAQ-KEBDBYFISA-N 0 0 339.420 3.228 50 30 EGEARN CCSC1=N/C(=C\c2cc(OC)c(OC)cc2OC)C(=O)S1 ZINC000004755420 452816284 /nfs/dbraw/zinc/81/62/84/452816284.db2.gz LMSVCYKLCLCCST-POHAHGRESA-N 0 0 339.438 3.436 50 30 EGEARN COc1cccc(/C=C/c2nc(C#N)c(N3C[C@H](C)O[C@@H](C)C3)o2)c1 ZINC000004867239 452824216 /nfs/dbraw/zinc/82/42/16/452824216.db2.gz ZIUYEJDSIHAVFE-SWICKSTGSA-N 0 0 339.395 3.339 50 30 EGEARN O=C1N/C(=N\Nc2ccc([N+](=O)[O-])cc2)S/C1=C/c1ccccc1 ZINC000004995892 452829749 /nfs/dbraw/zinc/82/97/49/452829749.db2.gz UGANGSIBPKINBX-GXDHUFHOSA-N 0 0 340.364 3.182 50 30 EGEARN C=C(C)CSc1nnc2n1-c1sc3c(c1-c1ncnn1-2)CCC3 ZINC000005478270 452877154 /nfs/dbraw/zinc/87/71/54/452877154.db2.gz UOJGPUNBPXVYGM-UHFFFAOYSA-N 0 0 342.453 3.047 50 30 EGEARN CC(C)Oc1cccc(C2N=NC(=S)N2N=Cc2cccnc2)c1 ZINC000005817437 452904167 /nfs/dbraw/zinc/90/41/67/452904167.db2.gz XNKIRPLNGPTTHC-YBFXNURJSA-N 0 0 339.424 3.298 50 30 EGEARN COc1cc(/C=C2\Oc3cc(O)cc(C)c3C2=O)cc(OC)c1OC ZINC000006624204 452961008 /nfs/dbraw/zinc/96/10/08/452961008.db2.gz ZMWJTBGYWPWPFS-NSIKDUERSA-N 0 0 342.347 3.343 50 30 biogenic EGEARN C=CCn1nnnc1NCc1ccc(OCc2cccs2)cc1 ZINC000006856423 452998413 /nfs/dbraw/zinc/99/84/13/452998413.db2.gz BZNAZQASFQRSKF-UHFFFAOYSA-N 0 0 327.413 3.112 50 30 EGEARN CCOc1ccc(C2N=NC(=S)N2NN=Cc2cccs2)cc1 ZINC000006876144 453001903 /nfs/dbraw/zinc/00/19/03/453001903.db2.gz FMEUABWEYIURGK-MHWRWJLKSA-N 0 0 345.453 3.272 50 30 EGEARN CCN(CC)/C(=N\S(=O)(=O)c1ccc(F)cc1)c1ccccc1 ZINC000013144756 453449854 /nfs/dbraw/zinc/44/98/54/453449854.db2.gz DMNKPUYMRMTNRT-ZPHPHTNESA-N 0 0 334.416 3.303 50 30 EGEARN CNC(=S)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000013556527 453469481 /nfs/dbraw/zinc/46/94/81/453469481.db2.gz LXCPVMCENUAIIM-UHFFFAOYSA-N 0 0 325.481 3.309 50 30 EGEARN Cn1c(SCC(=O)Nc2sccc2C#N)nnc1C1CCCC1 ZINC000017072292 453629056 /nfs/dbraw/zinc/62/90/56/453629056.db2.gz JRDWWUUPTFXAIP-UHFFFAOYSA-N 0 0 347.469 3.137 50 30 EGEARN COc1ccc(C=NN=c2[nH]c3ccccc3s2)c(OC)c1OC ZINC000017181008 453631159 /nfs/dbraw/zinc/63/11/59/453631159.db2.gz QBGURGPIRDKBJF-VCHYOVAHSA-N 0 0 343.408 3.190 50 30 EGEARN Cc1cc(C2N=NC(=S)N2N=CC(Cl)=Cc2ccccc2)n[nH]1 ZINC000018209369 453648245 /nfs/dbraw/zinc/64/82/45/453648245.db2.gz CVABTOKHXBADGM-BXOFLPTQSA-N 0 0 344.831 3.379 50 30 EGEARN CC(=CN=Nc1cn[nH]c(=O)c1Br)Cc1ccccc1 ZINC000031858816 453856591 /nfs/dbraw/zinc/85/65/91/453856591.db2.gz SJWVYZKCBRECIE-WOAIVXIPSA-N 0 0 333.189 3.446 50 30 EGEARN CC[C@H](C(=O)NCC#CCN1CCc2ccccc2C1)c1ccccc1 ZINC000075165010 453868207 /nfs/dbraw/zinc/86/82/07/453868207.db2.gz XUDQWKXUYXOFSD-QFIPXVFZSA-N 0 0 346.474 3.358 50 30 EGEARN Cc1[nH]c2ccc(C#N)cc2c1CCNC(=O)c1cc(C(C)C)nn1C ZINC000082109291 453924762 /nfs/dbraw/zinc/92/47/62/453924762.db2.gz YTAODYLLMQMTBX-UHFFFAOYSA-N 0 0 349.438 3.177 50 30 EGEARN COc1ccc(C[C@@H](C#N)C(=O)Nc2ccc(F)cc2)c(OC)c1 ZINC000057524924 454134776 /nfs/dbraw/zinc/13/47/76/454134776.db2.gz SXVSNCSQEIGBRH-ZDUSSCGKSA-N 0 0 328.343 3.164 50 30 EGEARN OCC#Cc1csc(-c2nccn2-c2cccc(-c3cc[nH]n3)c2)c1 ZINC000071748638 454213449 /nfs/dbraw/zinc/21/34/49/454213449.db2.gz HAGMBMIAOHJPDR-UHFFFAOYSA-N 0 0 346.415 3.335 50 30 EGEARN Cc1ccc(N/N=C(\C#N)S(=O)(=O)c2cc(C)ccc2F)cc1 ZINC000096511624 454373876 /nfs/dbraw/zinc/37/38/76/454373876.db2.gz MYQUUSVFRHKZJP-CAPFRKAQSA-N 0 0 331.372 3.165 50 30 EGEARN CC(C)c1c(I)sc2[nH]cc(C#N)c(=O)c21 ZINC000096663761 454375680 /nfs/dbraw/zinc/37/56/80/454375680.db2.gz PNLXVCFMZOOTJU-UHFFFAOYSA-N 0 0 344.177 3.189 50 30 EGEARN CC(C)c1ccc(C#N)c(N2CC[C@@]3(C2)CCCN(C(C)C)C3=O)n1 ZINC000091663740 454454131 /nfs/dbraw/zinc/45/41/31/454454131.db2.gz QVRJVTHONJRWSI-HXUWFJFHSA-N 0 0 340.471 3.304 50 30 EGEARN N#Cc1cccc(N2CC[C@@]3(C2)CCCN(C2CCCCC2)C3=O)n1 ZINC000091695177 454458842 /nfs/dbraw/zinc/45/88/42/454458842.db2.gz BHQHCCJAZWURCL-HXUWFJFHSA-N 0 0 338.455 3.105 50 30 EGEARN Cc1ccc(S(=O)(=O)/N=C(\c2ccc(Cl)cc2)N(C)C)cc1 ZINC000100847947 454467718 /nfs/dbraw/zinc/46/77/18/454467718.db2.gz QEIQMXAWEUKIRW-FBMGVBCBSA-N 0 0 336.844 3.346 50 30 EGEARN C=CCn1c2ccc(F)cc2s/c1=N\C(=O)c1ccc([N+](=O)[O-])o1 ZINC000100874420 454467841 /nfs/dbraw/zinc/46/78/41/454467841.db2.gz LECHNRUKKKFNSL-ICFOKQHNSA-N 0 0 347.327 3.270 50 30 EGEARN Cc1ccc(C(=O)C2=C(O)C(=O)N[C@H]2c2ccccc2Cl)cc1 ZINC000104144309 454576779 /nfs/dbraw/zinc/57/67/79/454576779.db2.gz ZTXARSUSXOJXSK-IDTYTIONSA-N 0 0 327.767 3.358 50 30 EGEARN C=C(C)COc1ccccc1C(=O)N(Cc1nccn1C)C1CC1 ZINC000055343974 518620376 /nfs/dbraw/zinc/62/03/76/518620376.db2.gz PMDXFJJXCAXOLN-UHFFFAOYSA-N 0 0 325.412 3.180 50 30 EGEARN C=CCN(Cc1ccccc1OCC)C(=O)c1c(O)cccc1O ZINC000055270137 518788500 /nfs/dbraw/zinc/78/85/00/518788500.db2.gz RAFMXQIREWMVEE-UHFFFAOYSA-N 0 0 327.380 3.325 50 30 EGEARN C=CCN(Cc1ccccn1)C(=O)COc1ccc(C(=O)CC)cc1 ZINC000055368893 518788774 /nfs/dbraw/zinc/78/87/74/518788774.db2.gz LFYSSXJKQWZCNE-UHFFFAOYSA-N 0 0 338.407 3.268 50 30 EGEARN C=CCN1CCN(C(=O)COc2ccc(-c3ccccc3)cc2)CC1 ZINC000020160908 518862481 /nfs/dbraw/zinc/86/24/81/518862481.db2.gz HRYAZUGJEQWFIO-UHFFFAOYSA-N 0 0 336.435 3.063 50 30 EGEARN CC(C)(C)c1ccc(OCC(=O)ONC(=N)c2ccccc2)cc1 ZINC000004898442 519039891 /nfs/dbraw/zinc/03/98/91/519039891.db2.gz JZCRYVTYDPZKNO-UHFFFAOYSA-N 0 0 326.396 3.227 50 30 EGEARN C=CCn1c(C)nnc1SCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000004936533 519172407 /nfs/dbraw/zinc/17/24/07/519172407.db2.gz SXSBEXYTVVSGQW-UHFFFAOYSA-N 0 0 336.848 3.465 50 30 EGEARN COC1=C(OC)C(=O)C(C)C(=CCCCCCCCCCO)C1=O ZINC000001542890 522649678 /nfs/dbraw/zinc/64/96/78/522649678.db2.gz JGPMMRGNQUBGND-UHFFFAOYSA-N 0 0 338.444 3.462 50 30 world EGEARN O=[N+]([O-])c1ccc(/C=N/n2cnnc2SCc2ccccc2)cc1 ZINC000000255295 527346294 /nfs/dbraw/zinc/34/62/94/527346294.db2.gz ATHCXGFJQKMRRF-VCHYOVAHSA-N 0 0 339.380 3.361 50 30 EGEARN C=CCN1C[C@@H](C)N(C(=O)c2cc(-c3ccc(C)cc3)n[nH]2)C[C@H]1C ZINC000952961024 1334625666 /nfs/dbraw/zinc/62/56/66/1334625666.db2.gz ADPHHBWFTRUWAX-HZPDHXFCSA-N 0 0 338.455 3.106 50 30 EGEARN COc1ccc2c(c1)CCOC21CCN(c2cccc(C#N)n2)CC1 ZINC001704325577 1416444633 /nfs/dbraw/zinc/44/46/33/1416444633.db2.gz QCWUKNXHGANRED-UHFFFAOYSA-N 0 0 335.407 3.030 50 30 EGEARN C=CCN(Cc1nc(-c2ccccc2)no1)Cc1nc(C)ccc1O ZINC000055309736 214305483 /nfs/dbraw/zinc/30/54/83/214305483.db2.gz SKGCYKNNBPBDBZ-UHFFFAOYSA-N 0 0 336.395 3.334 50 30 EGEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1nc(C)cs1 ZINC000004542654 210217354 /nfs/dbraw/zinc/21/73/54/210217354.db2.gz SHPYMCDBMFKDCH-OAHLLOKOSA-N 0 0 346.452 3.229 50 30 EGEARN C=CCN1C(=O)/C(=C/c2c(F)cccc2Cl)C(C(=O)OC)=C1C ZINC000004525731 210213997 /nfs/dbraw/zinc/21/39/97/210213997.db2.gz BPNMUSFQALQMEK-FMIVXFBMSA-N 0 0 335.762 3.338 50 30 EGEARN COC(=O)C1=C(N)c2c(cccc2F)[C@]1(C#N)c1ccc(Cl)cc1 ZINC000001400293 290926714 /nfs/dbraw/zinc/92/67/14/290926714.db2.gz QPGBABUYDJSDAL-SFHVURJKSA-N 0 0 342.757 3.145 50 30 EGEARN C#CCOc1ccc([C@H]2CC(=O)Nc3c2ncn3-c2cccnc2)cc1 ZINC000040287941 213288703 /nfs/dbraw/zinc/28/87/03/213288703.db2.gz KLXUVTDPIUKRQH-QGZVFWFLSA-N 0 0 344.374 3.403 50 30 EGEARN COc1cc(CNc2nc(C)c([N+](=O)[O-])c(C)c2C#N)cc(OC)c1 ZINC000019315315 202004652 /nfs/dbraw/zinc/00/46/52/202004652.db2.gz VVYLNBVURALZET-UHFFFAOYSA-N 0 0 342.355 3.108 50 30 EGEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccncc1 ZINC000019855482 202024289 /nfs/dbraw/zinc/02/42/89/202024289.db2.gz GXEZDNIXNUPTLX-SFHVURJKSA-N 0 0 340.423 3.393 50 30 EGEARN N#Cc1ccc(C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1 ZINC000025839133 202136625 /nfs/dbraw/zinc/13/66/25/202136625.db2.gz BNNJZYDWFGHPRI-UHFFFAOYSA-N 0 0 330.391 3.454 50 30 EGEARN C=CCCC(=O)N1CCO[C@H](Cc2cccc(C(F)(F)F)c2)C1 ZINC000071751619 215809442 /nfs/dbraw/zinc/80/94/42/215809442.db2.gz ZJKUDJMKILSTEY-OAHLLOKOSA-N 0 0 327.346 3.442 50 30 EGEARN C#CCOc1ccc([C@@H]2CC(=O)Nc3c2cnn3C2CCCC2)cc1 ZINC000072115586 216011392 /nfs/dbraw/zinc/01/13/92/216011392.db2.gz CVFZMOVOBPQYBM-KRWDZBQOSA-N 0 0 335.407 3.484 50 30 EGEARN C#CCOc1cccc([C@@H]2CC(=O)Nc3c2cnn3C2CCCC2)c1 ZINC000072117636 216012880 /nfs/dbraw/zinc/01/28/80/216012880.db2.gz HUNYNDKGJKRAMB-KRWDZBQOSA-N 0 0 335.407 3.484 50 30 EGEARN COc1ccc(OC)c(-c2cc(-c3cccnc3)c(C#N)c(N)n2)c1 ZINC000033671413 202267842 /nfs/dbraw/zinc/26/78/42/202267842.db2.gz KPVOBSMWHCDWIL-UHFFFAOYSA-N 0 0 332.363 3.282 50 30 EGEARN COc1cccc(/C=C2\Oc3cc(OC(=O)N(C)C)ccc3C2=O)c1 ZINC000005903883 201361569 /nfs/dbraw/zinc/36/15/69/201361569.db2.gz SWYQWIYTKOIWFM-YVLHZVERSA-N 0 0 339.347 3.372 50 30 biogenic EGEARN CCOc1ccc(/C=C2\Oc3c(ccc([O-])c3C[NH+](C)C)C2=O)cc1 ZINC000020624529 201370213 /nfs/dbraw/zinc/37/02/13/201370213.db2.gz QZBBUATYJNDYHF-WQRHYEAKSA-N 0 0 339.391 3.469 50 30 EGEARN COc1cc(C(=O)Nc2ccc(CC#N)cc2)cc(OC)c1OC ZINC000000093999 201432656 /nfs/dbraw/zinc/43/26/56/201432656.db2.gz VQMDOFYBKQXHRU-UHFFFAOYSA-N 0 0 326.352 3.031 50 30 biogenic EGEARN COc1ccccc1OCc1nc(C#N)c(NCc2cccnc2)o1 ZINC000000200309 201447272 /nfs/dbraw/zinc/44/72/72/201447272.db2.gz CHACJTIBPYWMGQ-UHFFFAOYSA-N 0 0 336.351 3.141 50 30 EGEARN Cc1cccnc1CN(Cc1ccccc1)C(=O)c1cc(C#N)cn1C ZINC000216081639 241164357 /nfs/dbraw/zinc/16/43/57/241164357.db2.gz ZBZHQJLDNQZNQH-UHFFFAOYSA-N 0 0 344.418 3.443 50 30 EGEARN N#C[C@H](Cc1cccnc1)C(=O)Nc1ccc(Br)cc1 ZINC000000419717 201470124 /nfs/dbraw/zinc/47/01/24/201470124.db2.gz YYWRHBKOHFMBFD-LBPRGKRZSA-N 0 0 330.185 3.165 50 30 EGEARN CCOC(=O)c1c(N)sc2c1CC[C@](C#N)(c1ccccc1)C2 ZINC000000287357 201457369 /nfs/dbraw/zinc/45/73/69/201457369.db2.gz UXAPCTLVLBWJTE-SFHVURJKSA-N 0 0 326.421 3.457 50 30 EGEARN COc1ccc([C@H]2C(C(C)=O)=C(O)C(=O)N2Cc2ccccc2)cc1 ZINC000000443824 201474193 /nfs/dbraw/zinc/47/41/93/201474193.db2.gz XWDOYZWMJIHMKC-SFHVURJKSA-N 0 0 337.375 3.180 50 30 EGEARN CCc1cccc2c(C#N)cn(CC(=O)NCCc3ccccc3)c21 ZINC000000612935 201490462 /nfs/dbraw/zinc/49/04/62/201490462.db2.gz GOQUUAWYFVGCOL-UHFFFAOYSA-N 0 0 331.419 3.434 50 30 EGEARN Cc1ccc([C@H]2CC(=O)NC3=C2C(=O)CC(C)(C)C3)cc1[N+](=O)[O-] ZINC000004912437 201626676 /nfs/dbraw/zinc/62/66/76/201626676.db2.gz LQNSGIGYVVTMSN-GFCCVEGCSA-N 0 0 328.368 3.150 50 30 EGEARN O=S(=O)(N/N=C/c1ccccc1Cl)c1ccc(Cl)cc1 ZINC000005678766 201659822 /nfs/dbraw/zinc/65/98/22/201659822.db2.gz MYGQBAKHZXHGNV-CXUHLZMHSA-N 0 0 329.208 3.306 50 30 EGEARN CCc1ccc(-c2cc(-c3nc(N)sc3C)nc(N)c2C#N)o1 ZINC000071415863 203094617 /nfs/dbraw/zinc/09/46/17/203094617.db2.gz AFZMRPGRJWLKQU-UHFFFAOYSA-N 0 0 325.397 3.372 50 30 EGEARN N#Cc1cccnc1N1CCC[C@@H](C(=O)c2cc(F)ccc2F)C1 ZINC000071775816 203112654 /nfs/dbraw/zinc/11/26/54/203112654.db2.gz BHTQZLTZSGYWEV-CYBMUJFWSA-N 0 0 327.334 3.331 50 30 EGEARN COc1ccc(C(=O)[C@@H]2CCCN(c3cccc(C#N)n3)C2)cc1F ZINC000071748155 203106523 /nfs/dbraw/zinc/10/65/23/203106523.db2.gz DRCDKXQLNUACGG-CQSZACIVSA-N 0 0 339.370 3.200 50 30 EGEARN CCCn1ncc(-c2cc(-c3ccc(O)c(O)c3)c(C#N)c(N)n2)c1C ZINC000071765586 203110462 /nfs/dbraw/zinc/11/04/62/203110462.db2.gz FTAUQBHKDVQZKB-UHFFFAOYSA-N 0 0 349.394 3.196 50 30 EGEARN N#Cc1cccnc1N1CCC[C@H](C(=O)c2cc(F)ccc2F)C1 ZINC000071775815 203111559 /nfs/dbraw/zinc/11/15/59/203111559.db2.gz BHTQZLTZSGYWEV-ZDUSSCGKSA-N 0 0 327.334 3.331 50 30 EGEARN Cc1c(CN(C)Cc2cnn(-c3ccc(F)cc3)c2)cc(C#N)n1C ZINC000072128867 203165210 /nfs/dbraw/zinc/16/52/10/203165210.db2.gz BHAPAOIWOGMEGF-UHFFFAOYSA-N 0 0 337.402 3.162 50 30 EGEARN C#CCOc1ccc(/C=C2\C(=O)ON=C2c2ccccc2)cc1OC ZINC000016193542 211889717 /nfs/dbraw/zinc/88/97/17/211889717.db2.gz CBLKSYVPZGEJLP-VBKFSLOCSA-N 0 0 333.343 3.052 50 30 EGEARN C=CCNC(=O)N1CCC[C@H](C(=O)c2cccc(OC(C)C)c2)C1 ZINC000012430982 211377262 /nfs/dbraw/zinc/37/72/62/211377262.db2.gz PSWRVNWHUGDLDE-INIZCTEOSA-N 0 0 330.428 3.264 50 30 EGEARN C=CCNC(=O)c1ccccc1NC(=O)COc1ccc(CC)cc1 ZINC000006702633 210686721 /nfs/dbraw/zinc/68/67/21/210686721.db2.gz KIWMCHBTHRPRRS-UHFFFAOYSA-N 0 0 338.407 3.182 50 30 EGEARN COc1ccc(CNC(=S)NCc2ccc(F)cc2)cc1OC ZINC000007351611 258053150 /nfs/dbraw/zinc/05/31/50/258053150.db2.gz GSCLYENJLCBDHA-UHFFFAOYSA-N 0 0 334.416 3.419 50 30 EGEARN C=CCn1c2sc(C)c(C)c2c2nc(-c3ccco3)nn2c1=O ZINC000032092151 275435553 /nfs/dbraw/zinc/43/55/53/275435553.db2.gz LCZUMTBGORTIHY-UHFFFAOYSA-N 0 0 326.381 3.169 50 30 EGEARN CC1(C)Oc2ccc3ccc(=O)oc3c2C(=CNc2ccccn2)C1=O ZINC000018202657 278418869 /nfs/dbraw/zinc/41/88/69/278418869.db2.gz MTMQQELMPORHIG-QBFSEMIESA-N 0 0 348.358 3.381 50 30 EGEARN C[C@H]1Cc2nc(NC=C3C(=O)c4ccccc4C3=O)sc2C(=O)C1 ZINC000100936697 280036380 /nfs/dbraw/zinc/03/63/80/280036380.db2.gz LIRHFOYHPNGJHI-VIFPVBQESA-N 0 0 338.388 3.283 50 30 EGEARN Cc1ccc2[nH]c(C3=C(N)N(c4cccc(Cl)c4)CC3=O)nc2c1 ZINC000008844109 281153034 /nfs/dbraw/zinc/15/30/34/281153034.db2.gz PQBAFKVMNSVRJT-UHFFFAOYSA-N 0 0 338.798 3.241 50 30 EGEARN CC1=CC(=O)C(=C2C[C@@H](c3ccccc3)N(c3ccccc3)N2)C(=O)O1 ZINC000102449420 281669704 /nfs/dbraw/zinc/66/97/04/281669704.db2.gz SUZWDMGEXPKBQD-ONZPZFSWSA-N 0 0 346.386 3.426 50 30 EGEARN COc1ccc([C@@H]2c3c(=O)[nH][nH]c3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000012347467 295233044 /nfs/dbraw/zinc/23/30/44/295233044.db2.gz BBBBQAZJXCCLDV-AWEZNQCLSA-N 0 0 339.395 3.325 50 30 EGEARN C[C@H]1CC[C@]23OC(=N)[C@](C#N)([C@@H]2C1)C(C#N)(C#N)[C@H](c1ccccc1)O3 ZINC000006853371 300078778 /nfs/dbraw/zinc/07/87/78/300078778.db2.gz GHTRPRHOWLFKPL-TXDMSJPOSA-N 0 0 346.390 3.441 50 30 EGEARN CCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1cc(C)ccc1C ZINC000000028042 452491185 /nfs/dbraw/zinc/49/11/85/452491185.db2.gz ZHOHMMJNLJRHNA-MRXNPFEDSA-N 0 0 341.407 3.158 50 30 EGEARN N#Cc1c(NC(=O)c2ccc3c(c2)OCO3)sc2c1CCCC2 ZINC000000035609 452494504 /nfs/dbraw/zinc/49/45/04/452494504.db2.gz QGQFJDLDUVTANZ-UHFFFAOYSA-N 0 0 326.377 3.480 50 30 EGEARN Cc1nn(-c2ccccc2)c(C)c1[C@@H]1Nc2ccccc2C(=O)N1O ZINC000000039424 452495991 /nfs/dbraw/zinc/49/59/91/452495991.db2.gz NGLDORCRRLOQLY-GOSISDBHSA-N 0 0 334.379 3.445 50 30 EGEARN COc1ccc(/C=N/n2cnnc2SCc2ccccc2)cc1O ZINC000000147637 452520649 /nfs/dbraw/zinc/52/06/49/452520649.db2.gz CNNNZEUWJKBHIX-VXLYETTFSA-N 0 0 340.408 3.167 50 30 EGEARN COC(=O)[C@@H]1C(=O)C=C(OC(=O)c2ccc(Cl)cc2)CC1(C)C ZINC000000336467 452565486 /nfs/dbraw/zinc/56/54/86/452565486.db2.gz PJZMVHSZMPAZGO-AWEZNQCLSA-N 0 0 336.771 3.169 50 30 EGEARN COc1ccc2ccccc2c1/C=N/NS(=O)(=O)c1ccccc1 ZINC000000439622 452592472 /nfs/dbraw/zinc/59/24/72/452592472.db2.gz SMFOOCSIFWWQQE-CPNJWEJPSA-N 0 0 340.404 3.161 50 30 EGEARN Cc1cc(/C=N/n2cnnc2)c(C)n1-c1ccc(Br)cc1 ZINC000000443672 452593038 /nfs/dbraw/zinc/59/30/38/452593038.db2.gz WGVUNFSULJBNAU-UFWORHAWSA-N 0 0 344.216 3.330 50 30 EGEARN COC(=O)c1sc(NC(=O)/C=C/c2ccccc2)c(C#N)c1C ZINC000000483627 452605632 /nfs/dbraw/zinc/60/56/32/452605632.db2.gz PYYINYDBDBCGOU-CMDGGOBGSA-N 0 0 326.377 3.367 50 30 EGEARN Cc1cccc(/C=N/N=C2/NC(=O)[C@@H](Cc3ccccc3C)S2)c1 ZINC000001225565 452649107 /nfs/dbraw/zinc/64/91/07/452649107.db2.gz CDLALEXHSZYITE-XNHPLOEXSA-N 0 0 337.448 3.468 50 30 EGEARN Oc1ccc(C=NN2C(=S)N=NC2c2ccc(Cl)cc2)cc1O ZINC000001242141 452649189 /nfs/dbraw/zinc/64/91/89/452649189.db2.gz LIDVCISMPUDIDE-CAOOACKPSA-N 0 0 346.799 3.181 50 30 EGEARN C#CCOc1cc(-n2nc(C(C)(C)C)oc2=O)c(Cl)cc1Cl ZINC000002122566 452686633 /nfs/dbraw/zinc/68/66/33/452686633.db2.gz DVOODWOZJVJKQR-UHFFFAOYSA-N 0 0 341.194 3.442 50 30 in-vitro EGEARN CC(=O)C(=CNc1ccc(C(C)=O)cc1)S(=O)(=O)c1ccccc1 ZINC000002561841 452703471 /nfs/dbraw/zinc/70/34/71/452703471.db2.gz BGEJGDCSVREPPW-PDGQHHTCSA-N 0 0 343.404 3.205 50 30 EGEARN C=C(C)C(=O)OCC(F)(F)C(F)(F)C(F)(F)COC(=O)C(=C)C ZINC000002539792 452704213 /nfs/dbraw/zinc/70/42/13/452704213.db2.gz KVQKTWAXEMSAGH-UHFFFAOYSA-N 0 0 348.239 3.131 50 30 EGEARN CC(Nc1ccc(-n2cncn2)cc1)=C1C(=O)c2ccccc2C1=O ZINC000002549969 452704985 /nfs/dbraw/zinc/70/49/85/452704985.db2.gz AANCMHCIPJIWCW-UHFFFAOYSA-N 0 0 330.347 3.032 50 30 EGEARN C=CCOc1ccc(/C=C2\SC(=S)N(CCOC)C2=O)cc1 ZINC000002674202 452715244 /nfs/dbraw/zinc/71/52/44/452715244.db2.gz JKXMTZHLBRLNRM-KAMYIIQDSA-N 0 0 335.450 3.099 50 30 EGEARN N#Cc1ccc(NC(=O)c2cc(-c3ccc4c(c3)OCO4)on2)cc1 ZINC000003908220 452789165 /nfs/dbraw/zinc/78/91/65/452789165.db2.gz SRDIJGZTOSOEGS-UHFFFAOYSA-N 0 0 333.303 3.194 50 30 EGEARN C=CCOc1ccc(CN=Nc2ccc([N+](=O)[O-])cn2)cc1OCC ZINC000004048038 452790401 /nfs/dbraw/zinc/79/04/01/452790401.db2.gz DUWVEGANHKDYLO-YBFXNURJSA-N 0 0 342.355 3.399 50 30 EGEARN O=c1[nH]c2ccccc2nc1N=NCc1cccc(C(F)(F)F)c1 ZINC000004003214 452791288 /nfs/dbraw/zinc/79/12/88/452791288.db2.gz RZHVYSUQGDQTST-AWQFTUOYSA-N 0 0 332.285 3.388 50 30 EGEARN Cc1cccc(/C=N/N=C2\NC(=O)[C@H](Cc3ccccc3C)S2)c1 ZINC000004159401 452795145 /nfs/dbraw/zinc/79/51/45/452795145.db2.gz CDLALEXHSZYITE-RONKMWSCSA-N 0 0 337.448 3.468 50 30 EGEARN O=[N+]([O-])c1ccc(Cl)cc1/C=N/NC(=S)NC1CCCCC1 ZINC000004209973 452798442 /nfs/dbraw/zinc/79/84/42/452798442.db2.gz FKFWOMYBDGLNAP-CXUHLZMHSA-N 0 0 340.836 3.379 50 30 EGEARN O=C1C[C@@H](c2ccco2)CC2=Nc3ncnn3[C@H](c3ccccc3)C12 ZINC000004435926 452803897 /nfs/dbraw/zinc/80/38/97/452803897.db2.gz XHIGTUVIKQAZIQ-SCLBCKFNSA-N 0 0 332.363 3.287 50 30 EGEARN Cc1cc(C=[NH+][N-]c2ccc([N+](=O)[O-])cn2)ccc1N1CCCC1 ZINC000004551603 452808593 /nfs/dbraw/zinc/80/85/93/452808593.db2.gz XYRUJUKTPRIZQW-YBFXNURJSA-N 0 0 325.372 3.344 50 30 EGEARN C=CCN1c2ccccc2[C@](O)(CC(=O)c2ccc(C)s2)C1=O ZINC000004554658 452808807 /nfs/dbraw/zinc/80/88/07/452808807.db2.gz LIFUQNIABOJPBU-GOSISDBHSA-N 0 0 327.405 3.050 50 30 EGEARN N=C(NOC(=O)c1ccc(F)cc1)c1cccc(Br)c1 ZINC000004832004 452818843 /nfs/dbraw/zinc/81/88/43/452818843.db2.gz VSPCBLAWPSBBHN-UHFFFAOYSA-N 0 0 337.148 3.066 50 30 EGEARN COc1ccc(/C=C/c2nc(C#N)c(N3CCCC3)o2)cc1OC ZINC000004840029 452821451 /nfs/dbraw/zinc/82/14/51/452821451.db2.gz XBVVYCJILMLSGN-SOFGYWHQSA-N 0 0 325.368 3.334 50 30 EGEARN COc1cccc(C(=O)Nc2sc3c(c2C#N)CCC3)c1OC ZINC000005169383 452842345 /nfs/dbraw/zinc/84/23/45/452842345.db2.gz BHPWVSMNZDWAFX-UHFFFAOYSA-N 0 0 328.393 3.378 50 30 EGEARN C=CCNC(=S)N=NCc1cc(Br)ccc1OCC ZINC000005237067 452849631 /nfs/dbraw/zinc/84/96/31/452849631.db2.gz HQEMGYYEDHNQGG-CXUHLZMHSA-N 0 0 342.262 3.243 50 30 EGEARN Cc1ccccc1/N=C1\NC(=O)[C@H](Cc2cccc([N+](=O)[O-])c2)S1 ZINC000005533736 452881936 /nfs/dbraw/zinc/88/19/36/452881936.db2.gz BYNQZNQSIHQZNK-HNNXBMFYSA-N 0 0 341.392 3.365 50 30 EGEARN O=[N+]([O-])c1cccc(C=NN2C(=S)N=NC2c2ccc(F)cc2)c1 ZINC000005996510 452915134 /nfs/dbraw/zinc/91/51/34/452915134.db2.gz JANQRWJGMVAGKM-RQZCQDPDSA-N 0 0 343.343 3.163 50 30 EGEARN CCCn1c(SCC(=O)Nc2sccc2C#N)nnc1C1CC1 ZINC000006400243 452940524 /nfs/dbraw/zinc/94/05/24/452940524.db2.gz IDJMTHNQMZKMLY-UHFFFAOYSA-N 0 0 347.469 3.229 50 30 EGEARN CCOC(=O)c1ccc(NN=C(C#N)c2nc3ccccc3[nH]2)cc1 ZINC000006419973 452942942 /nfs/dbraw/zinc/94/29/42/452942942.db2.gz WXJJXYRDSVQPLM-KQWNVCNZSA-N 0 0 333.351 3.079 50 30 EGEARN CCc1ccc(N2C[C@@H](C(=O)Nc3ccccc3C#N)CC2=O)cc1 ZINC000008262184 453181704 /nfs/dbraw/zinc/18/17/04/453181704.db2.gz GFFQOSDSCGNQEJ-INIZCTEOSA-N 0 0 333.391 3.112 50 30 EGEARN CCN(CC)/C(=N\S(=O)(=O)c1ccccc1C)c1ccccc1 ZINC000017968899 453640501 /nfs/dbraw/zinc/64/05/01/453640501.db2.gz ZUYRCNKBICEXOE-HNENSFHCSA-N 0 0 330.453 3.472 50 30 EGEARN Cc1ccccc1/C=N/N=C1/NC(=O)[C@@H](Cc2ccccc2C)S1 ZINC000018126636 453644614 /nfs/dbraw/zinc/64/46/14/453644614.db2.gz HFWGFIWUUIHVID-XNHPLOEXSA-N 0 0 337.448 3.468 50 30 EGEARN O=C(COc1ccc2ccccc2c1Br)Nc1nc[nH]n1 ZINC000018221775 453648547 /nfs/dbraw/zinc/64/85/47/453648547.db2.gz VXWRIMGZAXPBQV-UHFFFAOYSA-N 0 0 347.172 3.387 50 30 EGEARN CCOc1ccc(-c2c3c(N)c(C#N)sc3nc(N)c2C#N)cc1 ZINC000019880086 453659512 /nfs/dbraw/zinc/65/95/12/453659512.db2.gz KLZTUGXTLNZPNY-UHFFFAOYSA-N 0 0 335.392 3.270 50 30 EGEARN C=CC[C@@]12C=C(OC)C(=O)[C@@H](C1=O)[C@H](c1ccc3c(c1)OCO3)[C@H]2C ZINC000019831669 453659747 /nfs/dbraw/zinc/65/97/47/453659747.db2.gz YCTWRMSXONXESR-NBSNSOTFSA-N 0 0 340.375 3.009 50 30 biogenic EGEARN N#Cc1ccnc(N2CCC[C@@](CO)(Cc3cccc(Cl)c3)C2)c1 ZINC000067457958 453932646 /nfs/dbraw/zinc/93/26/46/453932646.db2.gz ABTTWDQHAMWJIH-LJQANCHMSA-N 0 0 341.842 3.428 50 30 EGEARN N#Cc1cc2c(nc1Oc1ccccc1CN1CCOCC1)CCCC2 ZINC000067642439 453952435 /nfs/dbraw/zinc/95/24/35/453952435.db2.gz VEQYDHQVMHVAEW-UHFFFAOYSA-N 0 0 349.434 3.457 50 30 EGEARN O=C(CC1=C(c2cccs2)CCC1=O)Nc1cnc2n1CCCC2 ZINC000067872363 453975192 /nfs/dbraw/zinc/97/51/92/453975192.db2.gz SUDVHPSDMCJJDR-UHFFFAOYSA-N 0 0 341.436 3.426 50 30 EGEARN CC[C@@H](C(=O)N1CCCN(c2ncccc2C#N)CC1)c1ccccc1 ZINC000055740174 454011094 /nfs/dbraw/zinc/01/10/94/454011094.db2.gz JSNAPLPFSKAIKF-LJQANCHMSA-N 0 0 348.450 3.186 50 30 EGEARN CN1C(=O)c2ccccc2[C@H](C(=O)Nc2nc[nH]n2)[C@H]1c1ccccc1 ZINC000095474270 454219895 /nfs/dbraw/zinc/21/98/95/454219895.db2.gz JUPHXOAVMVZLAO-JKSUJKDBSA-N 0 0 347.378 3.003 50 30 EGEARN CCOc1ccc(NC(=O)N(CC)CC2CCOCC2)cc1C#N ZINC000096161704 454295385 /nfs/dbraw/zinc/29/53/85/454295385.db2.gz FXWDOSVNMYFANV-UHFFFAOYSA-N 0 0 331.416 3.237 50 30 EGEARN CN(C)/C=C(/C(=O)c1ccccc1Cl)S(=O)(=O)c1ccccc1 ZINC000100254879 454464889 /nfs/dbraw/zinc/46/48/89/454464889.db2.gz NNBVSADCLGJVRD-VBKFSLOCSA-N 0 0 349.839 3.400 50 30 EGEARN Brc1ccccc1/C=N/N1CCN(c2ccccn2)CC1 ZINC000100574430 454466468 /nfs/dbraw/zinc/46/64/68/454466468.db2.gz PNRMBEJYEILTKO-CPNJWEJPSA-N 0 0 345.244 3.000 50 30 EGEARN COc1ccc2c(ccn2CCNC(=O)c2ccc(N=[N+]=[N-])nc2)c1 ZINC000108518221 454801766 /nfs/dbraw/zinc/80/17/66/454801766.db2.gz NDQFMYHKPCNURG-UHFFFAOYSA-N 0 0 336.355 3.417 50 30 EGEARN COC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)C3=CC(=O)[C@@]12C ZINC000254819998 455856303 /nfs/dbraw/zinc/85/63/03/455856303.db2.gz QOBSXMNUZVHPQI-RXFVWQEYSA-N 0 0 344.451 3.487 50 30 EGEARN C[C@@]1(O)CC[C@@H]2[C@H]3CC[C@]45O[C@H]4OC(=O)CC[C@]5(C)[C@@H]3CC[C@@]21C ZINC000257356186 455897606 /nfs/dbraw/zinc/89/76/06/455897606.db2.gz GRVLFUXZSFWPQB-BFJGMBQPSA-N 0 0 334.456 3.412 50 30 EGEARN Cc1nc(C2CC(O)C2)cc(N2CCC(C#N)(c3ccccc3)CC2)n1 ZINC000219887901 456036277 /nfs/dbraw/zinc/03/62/77/456036277.db2.gz HIMKOUMTEBDCME-UHFFFAOYSA-N 0 0 348.450 3.085 50 30 EGEARN CC(C)c1nccc(C(=O)N2CCC(C#N)(c3ccccc3)CC2)n1 ZINC000426531516 457850541 /nfs/dbraw/zinc/85/05/41/457850541.db2.gz BBHWXAGBQUPZRV-UHFFFAOYSA-N 0 0 334.423 3.298 50 30 EGEARN C=C(C)COc1cccc(C(=O)N(Cc2nccn2C)C2CC2)c1 ZINC000055392983 518619781 /nfs/dbraw/zinc/61/97/81/518619781.db2.gz JDILMBSWPOYPFG-UHFFFAOYSA-N 0 0 325.412 3.180 50 30 EGEARN C=CCN(Cc1nc(-c2ccc(OC)cc2)no1)C(=O)c1ccco1 ZINC000004943680 518798025 /nfs/dbraw/zinc/79/80/25/518798025.db2.gz PPDDYRBPFBITJE-UHFFFAOYSA-N 0 0 339.351 3.167 50 30 EGEARN C=CCNC(=O)COc1cccc(-c2noc(-c3cccc(C)c3)n2)c1 ZINC000033327273 518896053 /nfs/dbraw/zinc/89/60/53/518896053.db2.gz SZJTUAFAUOEDFS-UHFFFAOYSA-N 0 0 349.390 3.393 50 30 EGEARN C=CCOc1ccc(C[NH2+]Cc2ccc(C(=O)[O-])cc2)cc1OC ZINC000005243759 519033491 /nfs/dbraw/zinc/03/34/91/519033491.db2.gz XMNFMSGWCSLBLS-UHFFFAOYSA-N 0 0 327.380 3.248 50 30 EGEARN C=CCn1cc(-c2cn(Cc3csc4c3CCCC4)nn2)cn1 ZINC000091416705 519275720 /nfs/dbraw/zinc/27/57/20/519275720.db2.gz IHHYTMDJHCAVQN-UHFFFAOYSA-N 0 0 325.441 3.316 50 30 EGEARN Oc1ccc2ccccc2c1/C=N/N1CCN(c2ccccn2)CC1 ZINC000015658714 526354902 /nfs/dbraw/zinc/35/49/02/526354902.db2.gz VLMMPNVCLKLYPE-PXLXIMEGSA-N 0 0 332.407 3.097 50 30 EGEARN O=C(OC/C(=N\O)c1ccccc1)c1ccc(Br)cc1 ZINC000000059501 526413924 /nfs/dbraw/zinc/41/39/24/526413924.db2.gz NPVICPBISALKGU-SAPNQHFASA-N 0 0 334.169 3.484 50 30 EGEARN N=C(NOC(=O)C(c1ccccc1)c1ccccc1)c1ccccn1 ZINC000004171353 526806730 /nfs/dbraw/zinc/80/67/30/526806730.db2.gz XEEGJTWVBAMGJY-UHFFFAOYSA-N 0 0 331.375 3.077 50 30 EGEARN C=CCc1cc(CN2CCc3n[nH]cc3C2)cc(OC)c1OCC ZINC000820505669 1319901439 /nfs/dbraw/zinc/90/14/39/1319901439.db2.gz RNAXIKWTYWPSHF-UHFFFAOYSA-N 0 0 327.428 3.104 50 30 EGEARN C=C(C)COc1ccccc1NC(=O)[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000820530613 1319904861 /nfs/dbraw/zinc/90/48/61/1319904861.db2.gz GSYQKXJWHJKWEF-HNNXBMFYSA-N 0 0 342.439 3.371 50 30 EGEARN C[C@@H](c1nccs1)N(C)C(=O)c1ccc(C#CC(C)(C)O)cc1 ZINC000823637437 1320193791 /nfs/dbraw/zinc/19/37/91/1320193791.db2.gz DCFVGULVFBRIOT-ZDUSSCGKSA-N 0 0 328.437 3.099 50 30 EGEARN C=CCN(Cc1ccccc1OCC)C(=O)c1cc(Cl)c[nH]c1=O ZINC000055108165 214274989 /nfs/dbraw/zinc/27/49/89/214274989.db2.gz LSFHBHZCPGFBEH-UHFFFAOYSA-N 0 0 346.814 3.255 50 30 EGEARN C=C(C)COc1ccc(C(=O)N2CCC[C@H]2c2nonc2C)cc1 ZINC000055325850 214307613 /nfs/dbraw/zinc/30/76/13/214307613.db2.gz PMWBZSGVAMCANO-INIZCTEOSA-N 0 0 327.384 3.310 50 30 EGEARN C=CCOc1ccc2c(c1)NC(=O)C[C@@H]2c1cnc(NCCC)nc1 ZINC000065528078 214946643 /nfs/dbraw/zinc/94/66/43/214946643.db2.gz TWNKHIMXZXXHGL-MRXNPFEDSA-N 0 0 338.411 3.337 50 30 EGEARN C#CCn1c2ccccc2nc1[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000004033517 210104746 /nfs/dbraw/zinc/10/47/46/210104746.db2.gz ZSGDDZJSTUITAM-QGZVFWFLSA-N 0 0 329.403 3.186 50 30 EGEARN CCc1c(C#N)c(N)nc(SCC(=O)c2ccc(C)cc2)c1C#N ZINC000019337953 202003819 /nfs/dbraw/zinc/00/38/19/202003819.db2.gz KMHAILNWUHLBEA-UHFFFAOYSA-N 0 0 336.420 3.253 50 30 EGEARN COCCNc1nc(SC)nc(-c2ccc(Cl)cc2)c1C#N ZINC000019820524 202022077 /nfs/dbraw/zinc/02/20/77/202022077.db2.gz DTYZFKTZFNEKMV-UHFFFAOYSA-N 0 0 334.832 3.449 50 30 EGEARN C=CCc1cccc(/C=N/N2CCN(Cc3ccccc3)CC2)c1O ZINC000019891494 202025656 /nfs/dbraw/zinc/02/56/56/202025656.db2.gz LWAMRPZXYOPFHT-CJLVFECKSA-N 0 0 335.451 3.272 50 30 EGEARN N#Cc1cc([N+](=O)[O-])c(-n2nnc3cc4ccccc4cc32)cc1C#N ZINC000004577511 283111099 /nfs/dbraw/zinc/11/10/99/283111099.db2.gz YXDCJJZWLBMEPV-UHFFFAOYSA-N 0 0 340.302 3.225 50 30 EGEARN N#CCCN1CCN(C(=S)c2ccc(-c3ccc(F)cc3)o2)CC1 ZINC000020325112 202038281 /nfs/dbraw/zinc/03/82/81/202038281.db2.gz PIEFIUMUNLDEQL-UHFFFAOYSA-N 0 0 343.427 3.292 50 30 EGEARN COc1ccc(/C=N/N=C/c2ccc(OC)cc2OC)c(OC)c1 ZINC000003075602 202143062 /nfs/dbraw/zinc/14/30/62/202143062.db2.gz VXGDBTSCPMXTBL-AYKLPDECSA-N 0 0 328.368 3.174 50 30 EGEARN C#CCOc1cccc([C@H]2CC(=O)Nc3nc(NCC)sc32)c1 ZINC000035324931 213021900 /nfs/dbraw/zinc/02/19/00/213021900.db2.gz OHDXQHFOELNNPP-CYBMUJFWSA-N 0 0 327.409 3.061 50 30 EGEARN O=C(NCC#CCN1CCc2ccccc2C1)c1cccc(Cl)c1 ZINC000070641601 202336191 /nfs/dbraw/zinc/33/61/91/202336191.db2.gz DGJKAXSTEDAFJW-UHFFFAOYSA-N 0 0 338.838 3.132 50 30 EGEARN COc1ccc2c(c1)O/C(=C\c1ccc(OC)c(OC)c1OC)C2=O ZINC000005960281 201362127 /nfs/dbraw/zinc/36/21/27/201362127.db2.gz QQLTYKSKFRIZBD-SXGWCWSVSA-N 0 0 342.347 3.337 50 30 biogenic EGEARN COc1ccc(-c2cc3ccc(OCC#N)cc3oc2=O)c(OC)c1 ZINC000004088373 201360926 /nfs/dbraw/zinc/36/09/26/201360926.db2.gz GOXNRJGEYWJHKG-UHFFFAOYSA-N 0 0 337.331 3.380 50 30 biogenic EGEARN C[C@](O)(CNC(=O)c1cccc(C#N)c1)c1cc2ccccc2s1 ZINC000217498855 241252778 /nfs/dbraw/zinc/25/27/78/241252778.db2.gz UPTWUBBYQIXIDL-IBGZPJMESA-N 0 0 336.416 3.410 50 30 EGEARN CCN(CC)C(=O)c1sc(NC(=O)c2cccnc2)c(C#N)c1C ZINC000002746682 201542597 /nfs/dbraw/zinc/54/25/97/201542597.db2.gz LZGZYLNZTRPAOU-UHFFFAOYSA-N 0 0 342.424 3.058 50 30 EGEARN N#Cc1ccsc1NC(=O)c1ccc(OC[C@H]2CCCO2)cc1 ZINC000006509474 201683018 /nfs/dbraw/zinc/68/30/18/201683018.db2.gz LIAZQEYCYPPDGK-OAHLLOKOSA-N 0 0 328.393 3.430 50 30 EGEARN CCn1cc(-c2cc(-c3cc(OC)ccc3OC)nc(N)c2C#N)cn1 ZINC000067771736 202931783 /nfs/dbraw/zinc/93/17/83/202931783.db2.gz ZHWUEKBICMCLBC-UHFFFAOYSA-N 0 0 349.394 3.103 50 30 EGEARN Cc1ncc(-c2cc(-c3c[nH]c4ccccc43)nc(N)c2C#N)n1C ZINC000071661451 203102347 /nfs/dbraw/zinc/10/23/47/203102347.db2.gz JTMWMSCNVJSGIR-UHFFFAOYSA-N 0 0 328.379 3.393 50 30 EGEARN Cc1n[nH]c(C)c1-c1cc(-c2cnc(C(C)C)nc2)c(C#N)c(N)n1 ZINC000071753796 203107868 /nfs/dbraw/zinc/10/78/68/203107868.db2.gz JZHURASAFGLMSL-UHFFFAOYSA-N 0 0 333.399 3.123 50 30 EGEARN Cc1nccn1C[C@@H]1CCCN(c2nc3c(cc2C#N)CCCC3)C1 ZINC000077337915 203381253 /nfs/dbraw/zinc/38/12/53/203381253.db2.gz WFSWWUVKDPYAGA-INIZCTEOSA-N 0 0 335.455 3.254 50 30 EGEARN COc1cc(/N=C2\C(=O)Nc3ccc(Cl)cc32)cc(OC)c1OC ZINC000077024225 203369926 /nfs/dbraw/zinc/36/99/26/203369926.db2.gz AUUUDDAOJPTHJL-UHFFFAOYSA-N 0 0 346.770 3.439 50 30 EGEARN CCCCOc1ccccc1[C@H]1C2C(=O)CCCC2=Nc2ncnn21 ZINC000004368719 205701657 /nfs/dbraw/zinc/70/16/57/205701657.db2.gz WWERDBQFQPIIRG-SFHVURJKSA-N 0 0 338.411 3.479 50 30 EGEARN CCOc1ccc(C2N=NC(=S)N2N=Cc2ccc(C)o2)cc1 ZINC000005906646 205784228 /nfs/dbraw/zinc/78/42/28/205784228.db2.gz WVMFKTAFSDFVKG-LICLKQGHSA-N 0 0 328.397 3.416 50 30 EGEARN O=C1CC(c2ccc(Cl)cc2)CC(=O)C1=C1N[C@H]2CCCC[C@@H]2N1 ZINC000009287802 284782162 /nfs/dbraw/zinc/78/21/62/284782162.db2.gz IGNRUTCYCVQHFM-GJZGRUSLSA-N 0 0 344.842 3.071 50 30 EGEARN O=c1nc(NN=Cc2ccc(F)cc2)[nH]c2sc3c(c21)CCCC3 ZINC000057505461 285195741 /nfs/dbraw/zinc/19/57/41/285195741.db2.gz LOSPELCJCMLPBD-DJKKODMXSA-N 0 0 342.399 3.449 50 30 EGEARN CCOC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(F)cc1)C2=O ZINC000009547918 258003203 /nfs/dbraw/zinc/00/32/03/258003203.db2.gz SQIIZMUJFPZCHW-MFOYZWKCSA-N 0 0 342.322 3.384 50 30 EGEARN CCn1ccc(C(=O)/C=C/c2ccc(OC)c(Cn3cccn3)c2)n1 ZINC000006637285 258052342 /nfs/dbraw/zinc/05/23/42/258052342.db2.gz ZJFPQTWVOXYKGP-FNORWQNLSA-N 0 0 336.395 3.053 50 30 EGEARN COc1cccc2c(C[C@@H](C#N)C(=O)NCCc3ccccc3)c[nH]c21 ZINC000040288038 258059807 /nfs/dbraw/zinc/05/98/07/258059807.db2.gz RJNPKQSBAMPCHW-INIZCTEOSA-N 0 0 347.418 3.218 50 30 EGEARN CCCCCCCCNc1nc(Cl)nc(N2CCOCC2)n1 ZINC000002314602 135653373 /nfs/dbraw/zinc/65/33/73/135653373.db2.gz NHAYWRPTQABGPH-UHFFFAOYSA-N 0 0 327.860 3.134 50 30 EGEARN Cc1ccc(C(=O)C2=C(O)C(=O)N[C@H]2c2ccc(Cl)cc2)cc1 ZINC000102927786 292038534 /nfs/dbraw/zinc/03/85/34/292038534.db2.gz PIHRJTYTXMMHQA-IDTYTIONSA-N 0 0 327.767 3.358 50 30 EGEARN COc1cc(O)ccc1-c1c(C#N)c(N)nc2c1CCc1[nH]ccc1-2 ZINC000071755303 286239183 /nfs/dbraw/zinc/23/91/83/286239183.db2.gz WKUAKXZHSBBAKC-UHFFFAOYSA-N 0 0 332.363 3.010 50 30 EGEARN C[C@@H]1CCC[C@@H](N2CN=C(Nc3nc4ccccc4o3)NC2)[C@@H]1C ZINC000009015938 287399341 /nfs/dbraw/zinc/39/93/41/287399341.db2.gz LQXFYMSTKVYQHS-UMVBOHGHSA-N 0 0 327.432 3.050 50 30 EGEARN CC1(C)[C@@H]2CC[C@@]1(C)C(=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C2=O ZINC000004652712 275886554 /nfs/dbraw/zinc/88/65/54/275886554.db2.gz MUGWRNJDZWKRAM-MJZYIULXSA-N 0 0 346.343 3.296 50 30 EGEARN CN(C)/C=N/n1cnc2scc(-c3ccc(Cl)cc3)c2c1=O ZINC000004071382 276739670 /nfs/dbraw/zinc/73/96/70/276739670.db2.gz YXKJCKZOHLSPPC-GIJQJNRQSA-N 0 0 332.816 3.131 50 30 EGEARN Cc1c(C#N)c(=O)oc2c(Br)cc(Br)cc12 ZINC000000058018 280200934 /nfs/dbraw/zinc/20/09/34/280200934.db2.gz GSOMUTAKSGLHCF-UHFFFAOYSA-N 0 0 342.974 3.498 50 30 EGEARN CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(O)cc2)C2=C(CCCC2=O)N1 ZINC000019315064 281656518 /nfs/dbraw/zinc/65/65/18/281656518.db2.gz FNXLZWXKBJJXEO-GOSISDBHSA-N 0 0 341.407 3.312 50 30 EGEARN COc1c2c(cc3c1[C@@H]([C@H](C#N)c1ccccc1)N(C)CC3)OCO2 ZINC000102808200 294907600 /nfs/dbraw/zinc/90/76/00/294907600.db2.gz ZFNRSRSOZRYKBW-CRAIPNDOSA-N 0 0 336.391 3.260 50 30 biogenic EGEARN O=C1CCCC2=Nc3nonc3N[C@@H](c3ccnc4ccccc43)C12 ZINC000012322933 304624438 /nfs/dbraw/zinc/62/44/38/304624438.db2.gz CBQFAUYLBCJWQB-INIZCTEOSA-N 0 0 333.351 3.204 50 30 EGEARN N#Cc1cc2c(nc1S(=O)(=O)Cc1ccc(Cl)cc1)CCCC2 ZINC000000074079 452497480 /nfs/dbraw/zinc/49/74/80/452497480.db2.gz UYRYXXIMANOOPU-UHFFFAOYSA-N 0 0 346.839 3.459 50 30 EGEARN CC(O)=C1C(=O)C(=O)N(c2ccc(O)cc2)[C@H]1c1cccc(F)c1 ZINC000000080198 452500692 /nfs/dbraw/zinc/50/06/92/452500692.db2.gz NMZKQWZQSHTDQX-INIZCTEOSA-N 0 0 327.311 3.020 50 30 EGEARN CC(O)=C1C(=O)C(=O)N(c2cccnc2)[C@H]1c1ccc(Cl)cc1 ZINC000000079396 452500951 /nfs/dbraw/zinc/50/09/51/452500951.db2.gz SHPLLJHOSVXHSP-HNNXBMFYSA-N 0 0 328.755 3.224 50 30 EGEARN N#Cc1c2nc3ccccc3n2c(N)c(C#N)c1-c1cccc(O)c1 ZINC000000089781 452504380 /nfs/dbraw/zinc/50/43/80/452504380.db2.gz PXBZSWIEIPYBPW-UHFFFAOYSA-N 0 0 325.331 3.186 50 30 EGEARN O=S(=O)(N/N=C/c1cccc2cccnc12)c1ccc(Cl)cc1 ZINC000000442100 452592391 /nfs/dbraw/zinc/59/23/91/452592391.db2.gz SKNGKNMVKLAJBN-YBFXNURJSA-N 0 0 345.811 3.201 50 30 EGEARN COc1ccc(N2C(=O)C(=O)C(=C(C)O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000000443575 452593329 /nfs/dbraw/zinc/59/33/29/452593329.db2.gz RCTFKTKAHCETDG-KRWDZBQOSA-N 0 0 341.338 3.323 50 30 EGEARN CC1=C(C(=O)c2ccccc2)[C@@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1 ZINC000000447972 452595396 /nfs/dbraw/zinc/59/53/96/452595396.db2.gz AOXGMTYWKUNEQY-MRXNPFEDSA-N 0 0 337.335 3.106 50 30 EGEARN Cc1cc(C)c(C#N)c(SCCS(=O)(=O)Cc2ccccc2)n1 ZINC000000470419 452602751 /nfs/dbraw/zinc/60/27/51/452602751.db2.gz FFMNGACSUQNLGB-UHFFFAOYSA-N 0 0 346.477 3.277 50 30 EGEARN O=C1c2ccccc2C(=O)C(Nc2ccc3c(c2)OCO3)=C1Cl ZINC000000509251 452610436 /nfs/dbraw/zinc/61/04/36/452610436.db2.gz CYGXKEZFIBDAHI-UHFFFAOYSA-N 0 0 327.723 3.357 50 30 EGEARN C=CCn1cnc2c3cc4c(nc3sc2c1=O)CC(C)(C)OC4 ZINC000000519923 452612914 /nfs/dbraw/zinc/61/29/14/452612914.db2.gz PBZNNBHXDUCYMJ-UHFFFAOYSA-N 0 0 327.409 3.044 50 30 EGEARN COc1ccccc1C=NN1C(=S)N=NC1COc1ccccc1 ZINC000001307054 452653107 /nfs/dbraw/zinc/65/31/07/452653107.db2.gz AHUHABRBUSUWFN-WOJGMQOQSA-N 0 0 340.408 3.037 50 30 EGEARN CC1(C)CC(=O)C2(C(=O)C1)[C@H](c1ccc(Cl)cc1)C2(C#N)C#N ZINC000001383827 452657253 /nfs/dbraw/zinc/65/72/53/452657253.db2.gz MWHHZYWFLHIBFN-OAHLLOKOSA-N 0 0 326.783 3.415 50 30 EGEARN O=S(=O)(NN=C(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000001762451 452676591 /nfs/dbraw/zinc/67/65/91/452676591.db2.gz IZNUJWMVEWFEKW-UHFFFAOYSA-N 0 0 336.416 3.418 50 30 EGEARN CN1CCN(/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 ZINC000002288789 452693519 /nfs/dbraw/zinc/69/35/19/452693519.db2.gz PDNZQQNYZWNULD-WOJGMQOQSA-N 0 0 348.790 3.090 50 30 EGEARN C=CCOC(=O)c1sc(NC(=O)COc2ccc(C)cc2)nc1C ZINC000002905640 452733607 /nfs/dbraw/zinc/73/36/07/452733607.db2.gz ZLBWGDJUBYIEOJ-UHFFFAOYSA-N 0 0 346.408 3.120 50 30 EGEARN Cc1nc(OCC(=O)c2ccccc2)c(C#N)c2c1COC(C)(C)C2 ZINC000003107325 452744118 /nfs/dbraw/zinc/74/41/18/452744118.db2.gz BCHPOXIYJHLCLM-UHFFFAOYSA-N 0 0 336.391 3.375 50 30 EGEARN C(=NNc1ncnc2nc[nH]c21)c1ccc(OCc2ccccc2)cc1 ZINC000004106448 452793317 /nfs/dbraw/zinc/79/33/17/452793317.db2.gz QLWVOVQXSJKHIB-YSURURNPSA-N 0 0 344.378 3.378 50 30 EGEARN Cc1cc(C)cc(NC(=O)[C@H]2CCCN2/C=C/C(=O)C(F)(F)F)c1 ZINC000004119711 452793343 /nfs/dbraw/zinc/79/33/43/452793343.db2.gz SMPFSTYFGAMXRA-HZRUHFOJSA-N 0 0 340.345 3.351 50 30 EGEARN O=C1C[C@H](c2ccco2)CC2=Nc3ncnn3[C@H](c3ccccc3)C12 ZINC000004435931 452804261 /nfs/dbraw/zinc/80/42/61/452804261.db2.gz XHIGTUVIKQAZIQ-FZKQIMNGSA-N 0 0 332.363 3.287 50 30 EGEARN CCc1c(C)sc(NC(=O)c2cc3nc(C)cc(C)n3n2)c1C#N ZINC000004820285 452819046 /nfs/dbraw/zinc/81/90/46/452819046.db2.gz XDVPJLSEAJOIJS-UHFFFAOYSA-N 0 0 339.424 3.402 50 30 EGEARN CCC(=O)Nc1ccccc1Nc1cc(C#N)c(C#N)cc1[N+](=O)[O-] ZINC000004819340 452819147 /nfs/dbraw/zinc/81/91/47/452819147.db2.gz XNRWALKBNUFRBZ-UHFFFAOYSA-N 0 0 335.323 3.430 50 30 EGEARN COc1ccc(OC)c(/C=N/N=c2\sc3ccccc3n2C)c1 ZINC000004819434 452819551 /nfs/dbraw/zinc/81/95/51/452819551.db2.gz LMPIOOFJCNBFKB-ONMBGNKZSA-N 0 0 327.409 3.192 50 30 EGEARN COc1ccccc1/C=C/c1nc(C#N)c(NC[C@H]2CCCO2)o1 ZINC000004851012 452821528 /nfs/dbraw/zinc/82/15/28/452821528.db2.gz GFHUHKKYJXSRFY-MYSGNRETSA-N 0 0 325.368 3.316 50 30 EGEARN CCc1ccc([C@H]2C3C(=O)c4ccccc4C3=Nc3ncnn32)cc1 ZINC000005389385 452867669 /nfs/dbraw/zinc/86/76/69/452867669.db2.gz LGMKOJMYLKFQTJ-SFHVURJKSA-N 0 0 328.375 3.463 50 30 EGEARN Cc1cc(C2N=NC(=S)N2N=Cc2ccc(C(C)(C)C)cc2)n[nH]1 ZINC000005625918 452890358 /nfs/dbraw/zinc/89/03/58/452890358.db2.gz VKFVYQYHNUXXGZ-VCHYOVAHSA-N 0 0 340.456 3.445 50 30 EGEARN CCCCC1(CCCC)C(=O)NC(=Nc2ccc(OC)cc2)NC1=O ZINC000005764797 452902102 /nfs/dbraw/zinc/90/21/02/452902102.db2.gz QMNAPMZQJWHXRZ-UHFFFAOYSA-N 0 0 345.443 3.296 50 30 EGEARN C=CCNc1nnc(COc2ccc(Br)cc2)s1 ZINC000006745275 452980308 /nfs/dbraw/zinc/98/03/08/452980308.db2.gz VUWFQTOZBKDEBZ-UHFFFAOYSA-N 0 0 326.219 3.478 50 30 EGEARN CC1=C(C)C(=NOC(=O)c2ccccc2)C=C(Br)C1=O ZINC000012412622 453361864 /nfs/dbraw/zinc/36/18/64/453361864.db2.gz OTYHDLWDLDAAIR-GHRIWEEISA-N 0 0 334.169 3.397 50 30 EGEARN C#CCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccc(C)cc2)C1 ZINC000014095104 453504721 /nfs/dbraw/zinc/50/47/21/453504721.db2.gz IEZLFGSJUDZKMM-MRXNPFEDSA-N 0 0 329.403 3.498 50 30 EGEARN CCCN(CCC)/C(=N/S(=O)(=O)c1ccccc1)C(F)(F)F ZINC000016319790 453600085 /nfs/dbraw/zinc/60/00/85/453600085.db2.gz XOFLICVCWHFJSH-QGOAFFKASA-N 0 0 336.379 3.458 50 30 EGEARN O=C1N/C(=N/c2ccccc2)S[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000017028713 453626621 /nfs/dbraw/zinc/62/66/21/453626621.db2.gz OFUSUYFICBTORD-AWEZNQCLSA-N 0 0 327.365 3.057 50 30 EGEARN CCOC(=O)CC(=O)CSc1nc2c(cc1C#N)CCCCCC2 ZINC000017440298 453635543 /nfs/dbraw/zinc/63/55/43/453635543.db2.gz URHPJRCWCJINNC-UHFFFAOYSA-N 0 0 346.452 3.227 50 30 EGEARN CC1=C(C(=O)OC(C)C)[C@H](c2ccncc2)C2=C(CCCC2=O)N1 ZINC000019315187 453656339 /nfs/dbraw/zinc/65/63/39/453656339.db2.gz UEDCHNUUVXWJBO-KRWDZBQOSA-N 0 0 326.396 3.001 50 30 EGEARN CN(C)/C=C(/C(=O)c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 ZINC000029763917 453831315 /nfs/dbraw/zinc/83/13/15/453831315.db2.gz MWKSHDTXDCWIIH-VBKFSLOCSA-N 0 0 349.839 3.400 50 30 EGEARN Cc1cc(C)n2ncc(-c3c(C#N)c(N)nc4c3CCCCC4)c2n1 ZINC000067804237 453967699 /nfs/dbraw/zinc/96/76/99/453967699.db2.gz XWIYIUXQLSKHJH-UHFFFAOYSA-N 0 0 332.411 3.131 50 30 EGEARN CC1(C)CC(=O)C2C(=Nc3c(C#N)cnn3[C@H]2c2cccc(O)c2)C1 ZINC000044918126 454127167 /nfs/dbraw/zinc/12/71/67/454127167.db2.gz LTALOQMADSRXTF-KRWDZBQOSA-N 0 0 334.379 3.118 50 30 EGEARN COc1ccc(OC)c(C[C@H](C#N)C(=O)Nc2ccccc2F)c1 ZINC000057523329 454134782 /nfs/dbraw/zinc/13/47/82/454134782.db2.gz IROQWLYXUSZXII-CYBMUJFWSA-N 0 0 328.343 3.164 50 30 EGEARN C#CCn1c2ccc(SC)cc2s/c1=N/C(=O)c1cc(C)no1 ZINC000101135208 454469808 /nfs/dbraw/zinc/46/98/08/454469808.db2.gz ANYYRMSYNZMUTB-WUKNDPDISA-N 0 0 343.433 3.095 50 30 EGEARN Cc1cccc(N2C[C@H](c3noc(-c4cccc(C#N)c4)n3)CC2=O)c1 ZINC000049060371 454530718 /nfs/dbraw/zinc/53/07/18/454530718.db2.gz WUNAJBVRJDFMKS-MRXNPFEDSA-N 0 0 344.374 3.437 50 30 EGEARN COc1ccccc1/C=C/C(=O)c1ccc(N2C(=O)C=CC2=O)cc1 ZINC000074941607 454664312 /nfs/dbraw/zinc/66/43/12/454664312.db2.gz FCHKSCAPVKSLLS-DHZHZOJOSA-N 0 0 333.343 3.021 50 30 EGEARN N#Cc1ccccc1N1CCN(C(=O)c2coc3ccccc23)CC1 ZINC000113042549 454912544 /nfs/dbraw/zinc/91/25/44/454912544.db2.gz YWSALXVLPKWJOM-UHFFFAOYSA-N 0 0 331.375 3.267 50 30 EGEARN O=c1c2[nH]c3ccc(Cl)cc3c2ncn1N=Cc1cccc(O)c1 ZINC000252679150 455828144 /nfs/dbraw/zinc/82/81/44/455828144.db2.gz INMJJNDTEAILRS-UHFFFAOYSA-N 0 0 338.754 3.119 50 30 EGEARN C[C@]1(NC(=S)Nc2ccc3ccccc3c2)CCS(=O)(=O)C1 ZINC000334158987 456306365 /nfs/dbraw/zinc/30/63/65/456306365.db2.gz RRAAUQYJISORGZ-INIZCTEOSA-P 0 0 335.474 3.261 50 30 EGEARN N#Cc1ccnc(O[C@H]2CCCN(C(=O)c3ccc4cc[nH]c4c3)C2)c1 ZINC000575612729 459982199 /nfs/dbraw/zinc/98/21/99/459982199.db2.gz LWIPLAPIFHOTND-KRWDZBQOSA-N 0 0 346.390 3.118 50 30 EGEARN N#Cc1ccnc(O[C@@H]2CCCN(C(=O)Nc3ccc(F)cc3)C2)c1 ZINC000575613478 459983664 /nfs/dbraw/zinc/98/36/64/459983664.db2.gz RCNTWNWOQCWLSP-MRXNPFEDSA-N 0 0 340.358 3.168 50 30 EGEARN Cc1cccc(NC(=O)N2CCC[C@H](Oc3cc(C#N)ccn3)C2)c1 ZINC000575614076 459984161 /nfs/dbraw/zinc/98/41/61/459984161.db2.gz WGKOXLYJSZWDSV-KRWDZBQOSA-N 0 0 336.395 3.337 50 30 EGEARN N#Cc1ccnc(O[C@H]2CCCN(C(=O)Nc3cccs3)C2)c1 ZINC000575613725 459984191 /nfs/dbraw/zinc/98/41/91/459984191.db2.gz SMOJBPGOEINXBD-ZDUSSCGKSA-N 0 0 328.397 3.090 50 30 EGEARN C#CCN1c2ccccc2[C@](O)(CC(=O)c2cc(C)c(C)cc2C)C1=O ZINC000004866535 518272715 /nfs/dbraw/zinc/27/27/15/518272715.db2.gz WSYTYTDWLVQLKN-JOCHJYFZSA-N 0 0 347.414 3.052 50 30 EGEARN C=C(C)CN(CC)C(=O)c1coc(COc2ccc3c(c2)OCO3)n1 ZINC000015066669 518596948 /nfs/dbraw/zinc/59/69/48/518596948.db2.gz WDQXFPNKJDZKOI-UHFFFAOYSA-N 0 0 344.367 3.021 50 30 EGEARN C=CCN(Cc1ccccc1Cl)C(=O)[C@H]1CCC(=O)N(CC)C1 ZINC000055341103 518785690 /nfs/dbraw/zinc/78/56/90/518785690.db2.gz WGHFIUAFFZHAOX-HNNXBMFYSA-N 0 0 334.847 3.113 50 30 EGEARN C=CCN(Cc1nc(-c2ccccc2)no1)C(=O)COc1ccccc1 ZINC000005483195 518798633 /nfs/dbraw/zinc/79/86/33/518798633.db2.gz CIJNPRDJZSLCTJ-UHFFFAOYSA-N 0 0 349.390 3.330 50 30 EGEARN CCOC(=O)SC1=N/C(=C\c2ccc3c(c2)OCO3)C(=O)S1 ZINC000004953103 520999400 /nfs/dbraw/zinc/99/94/00/520999400.db2.gz ZNKHODKLFQEJPJ-UITAMQMPSA-N 0 0 337.378 3.275 50 30 EGEARN COCc1cc(/C=C\C(=O)c2ccc3c(c2)OCO3)ccc1OC ZINC000006490511 522904576 /nfs/dbraw/zinc/90/45/76/522904576.db2.gz UUXPRTOHOHDQPY-UTCJRWHESA-N 0 0 326.348 3.466 50 30 EGEARN N=C(NOC(=O)c1cccc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000018250225 526811051 /nfs/dbraw/zinc/81/10/51/526811051.db2.gz WSRPTFHJKXRCMS-UHFFFAOYSA-N 0 0 335.319 3.225 50 30 EGEARN Cc1ccc(-c2ccc(=O)[nH]n2)cc1NC(=O)c1cccc(C#N)c1 ZINC000952870259 1334584072 /nfs/dbraw/zinc/58/40/72/1334584072.db2.gz ZCEJBZDQUMREET-UHFFFAOYSA-N 0 0 330.347 3.282 50 30 EGEARN N#Cc1ccc(C(=O)NCC2(c3ccsc3)CCOCC2)cc1 ZINC000952986243 1334630642 /nfs/dbraw/zinc/63/06/42/1334630642.db2.gz JTRYELOLQPZTFF-UHFFFAOYSA-N 0 0 326.421 3.098 50 30 EGEARN C=CCn1nc(C)c(C(=O)N2CCC[C@@]3(CCC[C@H]3OC)C2)c1C ZINC001704340052 1416448704 /nfs/dbraw/zinc/44/87/04/1416448704.db2.gz DZVHSWSIOXAHCU-APWZRJJASA-N 0 0 331.460 3.107 50 30 EGEARN Cc1c(Cl)cccc1-c1ccc(/C=N/N=C2\NC(=O)CS2)o1 ZINC000012372479 201841625 /nfs/dbraw/zinc/84/16/25/201841625.db2.gz YLSOEPQUJQMKDW-REZTVBANSA-N 0 0 333.800 3.461 50 30 EGEARN COCc1cc(C)nc(SCC(=O)N[C@@H]2CCCC[C@@H]2C)c1C#N ZINC000013281409 201889079 /nfs/dbraw/zinc/88/90/79/201889079.db2.gz NHUJFAZBBCPFKE-BLLLJJGKSA-N 0 0 347.484 3.195 50 30 EGEARN CCCOc1ccc(NC(=O)CSc2ncccc2C#N)cc1 ZINC000016648356 201977033 /nfs/dbraw/zinc/97/70/33/201977033.db2.gz XMWIXBOILZLEOS-UHFFFAOYSA-N 0 0 327.409 3.473 50 30 EGEARN C/C(=N/NS(=O)(=O)c1ccc(CC(C)C)cc1)c1ccccc1O ZINC000017072131 201985355 /nfs/dbraw/zinc/98/53/55/201985355.db2.gz RWDWQJKAQZPYAB-RGEXLXHISA-N 0 0 346.452 3.293 50 30 EGEARN C/C(=N/N1CCN(Cc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000019771424 202019108 /nfs/dbraw/zinc/01/91/08/202019108.db2.gz POPQCWHICGMKLR-SILNSSARSA-N 0 0 338.411 3.137 50 30 EGEARN N#Cc1c2c(sc1N1C(=O)C=CC1=O)C[C@@H](c1ccccc1)CC2 ZINC000022866917 283082619 /nfs/dbraw/zinc/08/26/19/283082619.db2.gz JUWZLAKOOZBZCR-ZDUSSCGKSA-N 0 0 334.400 3.322 50 30 EGEARN CCSc1nc(N)c(C#N)c(-c2ccc(OC(C)=O)cc2)c1C#N ZINC000020841471 202056027 /nfs/dbraw/zinc/05/60/27/202056027.db2.gz RGVHNBRVQKJEDT-UHFFFAOYSA-N 0 0 338.392 3.111 50 30 EGEARN COc1cccc(/C=C2\Oc3c(ccc([O-])c3C[NH+](C)C)C2=O)c1 ZINC000013653647 201366409 /nfs/dbraw/zinc/36/64/09/201366409.db2.gz RMYCYUMPGQBDNX-YVLHZVERSA-N 0 0 325.364 3.079 50 30 EGEARN COc1ccc(/C=C2\Oc3c(c(C)cc([O-])c3C[NH+](C)C)C2=O)cc1 ZINC000020573311 201370457 /nfs/dbraw/zinc/37/04/57/201370457.db2.gz ROZIVAFMDKWBTF-YVLHZVERSA-N 0 0 339.391 3.387 50 30 EGEARN CCCCCCCCCS(=O)(=O)N/N=C/c1ccc(O)cc1O ZINC000002190125 201526081 /nfs/dbraw/zinc/52/60/81/201526081.db2.gz ZMKBJRXMRXRIAB-GHRIWEEISA-N 0 0 342.461 3.102 50 30 EGEARN COCc1c(C#N)c(Nc2ccc(OC)cc2)nc(C)c1[N+](=O)[O-] ZINC000004710275 201613341 /nfs/dbraw/zinc/61/33/41/201613341.db2.gz WCGNQGBWCUZDBE-UHFFFAOYSA-N 0 0 328.328 3.069 50 30 EGEARN COc1cc(NC(C)=O)c(Cl)cc1C(=O)Nc1ccccc1C#N ZINC000004783406 201618240 /nfs/dbraw/zinc/61/82/40/201618240.db2.gz PVFXBPUFEVAZGK-UHFFFAOYSA-N 0 0 343.770 3.431 50 30 EGEARN CN(C)c1ccc(C=NN2C(=S)N=NC2c2ccc(F)cc2)cc1 ZINC000005823344 201663508 /nfs/dbraw/zinc/66/35/08/201663508.db2.gz ZVQBTCCFXXBAFP-YBFXNURJSA-N 0 0 341.415 3.321 50 30 EGEARN S=C(N/N=C/c1ccccn1)Nc1ccc(Br)cc1 ZINC000006644576 201689238 /nfs/dbraw/zinc/68/92/38/201689238.db2.gz FSERQILDOBYSGK-CXUHLZMHSA-N 0 0 335.230 3.165 50 30 EGEARN N#Cc1c(N)nc(-c2ccc3c(c2)OCO3)cc1-c1cccc(O)c1 ZINC000067674438 202923787 /nfs/dbraw/zinc/92/37/87/202923787.db2.gz AHVSXRDXHOAXKS-UHFFFAOYSA-N 0 0 331.331 3.304 50 30 EGEARN COc1cc(/C=N/N2C(=O)C[C@H]2c2ccccc2)cc(OC)c1OC ZINC000071281872 203089846 /nfs/dbraw/zinc/08/98/46/203089846.db2.gz HFNMDEWOVJANIC-SLDJAQPHSA-N 0 0 340.379 3.020 50 30 EGEARN CCSc1ncc(-c2cc(-c3ccc(C)cn3)nc(N)c2C#N)cn1 ZINC000071708128 203103160 /nfs/dbraw/zinc/10/31/60/203103160.db2.gz VRVBGSWDESJSBA-UHFFFAOYSA-N 0 0 348.435 3.475 50 30 EGEARN O=C1NCCCC1=NNc1cc(OCc2ccccc2)ccc1F ZINC000103766205 204085449 /nfs/dbraw/zinc/08/54/49/204085449.db2.gz MXTRUWVQPHFAML-LTGZKZEYSA-N 0 0 327.359 3.083 50 30 EGEARN C=CCc1c(C)nc(Nc2nc(C)c3cc(C)c(C)cc3n2)[nH]c1=O ZINC000009936629 211135162 /nfs/dbraw/zinc/13/51/62/211135162.db2.gz HWOCUFUUELZULG-UHFFFAOYSA-N 0 0 335.411 3.419 50 30 EGEARN CCN(CC)c1ccc([C@H]2C3C(=O)CCCC3=Nc3ncnn32)cc1 ZINC000006721134 284833331 /nfs/dbraw/zinc/83/33/31/284833331.db2.gz ODOAUDLJIGITJU-SFHVURJKSA-N 0 0 337.427 3.146 50 30 EGEARN C=CCN1C(=O)S[C@H](CC(=O)Nc2cccc3ccccc32)C1=O ZINC000004785179 210279188 /nfs/dbraw/zinc/27/91/88/210279188.db2.gz DMTDWSVAZWBGRH-OAHLLOKOSA-N 0 0 340.404 3.418 50 30 EGEARN Cc1cc(N2CCOCC2)c(F)cc1[C@](C)(O)C#Cc1ccccc1 ZINC000000268431 291937545 /nfs/dbraw/zinc/93/75/45/291937545.db2.gz HZORSQLFFXJAMC-OAQYLSRUSA-N 0 0 339.410 3.230 50 30 EGEARN COc1ccc(-c2csc(N=NCc3ccccc3O)n2)cc1 ZINC000008487674 258012306 /nfs/dbraw/zinc/01/23/06/258012306.db2.gz CWIQHSYQBPESLH-VCHYOVAHSA-N 0 0 325.393 3.392 50 30 EGEARN O=S(=O)(NN=C1CCCCC1)c1ccc(Br)cc1 ZINC000006333351 296459877 /nfs/dbraw/zinc/45/98/77/296459877.db2.gz DTIKEOYQTYMYGH-UHFFFAOYSA-N 0 0 331.235 3.048 50 30 EGEARN N#Cc1ccccc1N1CCN(Cc2ccc(Cl)c(F)c2)CC1=O ZINC000082108500 132818827 /nfs/dbraw/zinc/81/88/27/132818827.db2.gz QFMXPKYDLGPPQQ-UHFFFAOYSA-N 0 0 343.789 3.200 50 30 EGEARN C[C@@H]1C[C@@H](C)CN(C(=O)CSc2nc3c(cc2C#N)CCC3)C1 ZINC000215682598 267076052 /nfs/dbraw/zinc/07/60/52/267076052.db2.gz VINHSZBNEYTQEN-CHWSQXEVSA-N 0 0 329.469 3.039 50 30 EGEARN Cc1c(-c2cnn(C)c2)nc(N)c(C#N)c1-c1c[nH]c2ccccc21 ZINC000071762584 274657481 /nfs/dbraw/zinc/65/74/81/274657481.db2.gz ZXJMJUGXHGPEGE-UHFFFAOYSA-N 0 0 328.379 3.393 50 30 EGEARN Cc1ccc(C2N=NC(=S)N2N=Cc2ccccc2[N+](=O)[O-])cc1 ZINC000239073251 455260079 /nfs/dbraw/zinc/26/00/79/455260079.db2.gz GTXLFGIBVIAIFZ-UHFFFAOYSA-N 0 0 339.380 3.333 50 30 EGEARN COc1cc(/C=N/n2cnnc2SCc2ccccc2)ccc1O ZINC000000147616 452521541 /nfs/dbraw/zinc/52/15/41/452521541.db2.gz MZFPMUQFBPWVJQ-VXLYETTFSA-N 0 0 340.408 3.167 50 30 EGEARN CCOc1cc(/C=N/c2cccc(Cl)c2)ccc1OCC(N)=O ZINC000000361062 452571895 /nfs/dbraw/zinc/57/18/95/452571895.db2.gz QIUOXTRFJHCUQI-KEBDBYFISA-N 0 0 332.787 3.353 50 30 EGEARN COC(=O)c1ccc2c(c1)C(=O)/C(=C/c1cccc(OC)c1OC)O2 ZINC000000429866 452590927 /nfs/dbraw/zinc/59/09/27/452590927.db2.gz RKHOWZADLLWVAJ-YBEGLDIGSA-N 0 0 340.331 3.107 50 30 EGEARN C=CCn1c(NC(=O)c2ccco2)c(C(=O)OCC)sc1=S ZINC000000457650 452599465 /nfs/dbraw/zinc/59/94/65/452599465.db2.gz FRJWWFYWNBDDBO-UHFFFAOYSA-N 0 0 338.410 3.487 50 30 EGEARN COc1ccc(CC(=O)n2c(CC#N)nc3ccccc32)cc1OC ZINC000000506802 452610772 /nfs/dbraw/zinc/61/07/72/452610772.db2.gz JIXQXSHYCUQIOW-UHFFFAOYSA-N 0 0 335.363 3.002 50 30 EGEARN CC(C)(C)NC(=O)Cn1cc(C#N)c2cc(Br)ccc21 ZINC000000613301 452631194 /nfs/dbraw/zinc/63/11/94/452631194.db2.gz BAOCIJFZZVYABX-UHFFFAOYSA-N 0 0 334.217 3.190 50 30 EGEARN COc1ccc(/N=C2\NC(=O)/C(=C\c3ccccc3O)S2)cc1 ZINC000001023373 452643783 /nfs/dbraw/zinc/64/37/83/452643783.db2.gz OEVYWWNSVBNLJA-XNTDXEJSSA-N 0 0 326.377 3.292 50 30 EGEARN C#CCN1C(=O)S/C(=C/c2cc(OC)c(OC)cc2Cl)C1=O ZINC000001164720 452647093 /nfs/dbraw/zinc/64/70/93/452647093.db2.gz ISWPCVWAMMKCBR-NTUHNPAUSA-N 0 0 337.784 3.027 50 30 EGEARN COc1ccc(C(=O)ON=C2CC(C)(C)N(C(C)=O)C(C)(C)C2)cc1 ZINC000001399273 452659893 /nfs/dbraw/zinc/65/98/93/452659893.db2.gz JCUSCJJIZJQKKE-UHFFFAOYSA-N 0 0 346.427 3.408 50 30 EGEARN O=[N+]([O-])c1ccc(/C=N/CC/N=C\c2ccc([N+](=O)[O-])cc2)cc1 ZINC000002273397 452692912 /nfs/dbraw/zinc/69/29/12/452692912.db2.gz SQKBKHPIUDTFCI-MJZABRMRSA-N 0 0 326.312 3.041 50 30 EGEARN C=CCOC(=O)COc1cc2oc(=O)c3c(c2cc1Cl)CCC3 ZINC000002479775 452700669 /nfs/dbraw/zinc/70/06/69/452700669.db2.gz BEFSNRONXSESOY-UHFFFAOYSA-N 0 0 334.755 3.043 50 30 EGEARN COC(=O)CSc1nc2c(c(-c3ccncc3)c1C#N)CCCC2 ZINC000003878638 452788502 /nfs/dbraw/zinc/78/85/02/452788502.db2.gz SSMZCTLPXVBFFK-UHFFFAOYSA-N 0 0 339.420 3.159 50 30 EGEARN Cc1ccccc1CN1C(=O)[C@@H](C)S/C1=N/N=C/c1ccco1 ZINC000004955359 452827988 /nfs/dbraw/zinc/82/79/88/452827988.db2.gz QTIPLPVJAAOVDO-TVGPBNQLSA-N 0 0 327.409 3.442 50 30 EGEARN Cc1ccc2[nH]c(C3=C(N)N(c4ccc(Cl)cc4)CC3=O)nc2c1 ZINC000005182818 452842812 /nfs/dbraw/zinc/84/28/12/452842812.db2.gz FMOSTQMVGHGRNB-UHFFFAOYSA-N 0 0 338.798 3.241 50 30 EGEARN N#CCc1n[nH]c(CSc2ncc(C(F)(F)F)cc2Cl)n1 ZINC000005753699 452899123 /nfs/dbraw/zinc/89/91/23/452899123.db2.gz TXGTYFVXRVNTJT-UHFFFAOYSA-N 0 0 333.726 3.230 50 30 EGEARN CC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccccc1OCc1ccccc1 ZINC000006022673 452917304 /nfs/dbraw/zinc/91/73/04/452917304.db2.gz DYHQKARICUSVLA-LJQANCHMSA-N 0 0 336.391 3.483 50 30 EGEARN CC(=O)Oc1ccc2c(c1C)O/C(=C\c1ccc3c(c1)OCO3)C2=O ZINC000006167239 452925113 /nfs/dbraw/zinc/92/51/13/452925113.db2.gz NIYQTDYBNNFHIP-IUXPMGMMSA-N 0 0 338.315 3.265 50 30 biogenic EGEARN C=CCNC(=O)c1ccccc1NC(=O)Cc1ccc(Cl)cc1 ZINC000006727241 452977160 /nfs/dbraw/zinc/97/71/60/452977160.db2.gz ANYRNXUDNTWJNJ-UHFFFAOYSA-N 0 0 328.799 3.437 50 30 EGEARN NC(=NC(=O)c1ccc(Cl)cc1)NCCc1c[nH]c2ccccc12 ZINC000013153287 453449724 /nfs/dbraw/zinc/44/97/24/453449724.db2.gz IRSKWUPUVXQPMX-UHFFFAOYSA-N 0 0 340.814 3.109 50 30 EGEARN COCc1cc(C)nc(SCC(=O)N[C@H]2CCCC[C@@H]2C)c1C#N ZINC000013281410 453455444 /nfs/dbraw/zinc/45/54/44/453455444.db2.gz NHUJFAZBBCPFKE-LRDDRELGSA-N 0 0 347.484 3.195 50 30 EGEARN C=CCN1C(=O)S/C(=C\c2ccc(N3CCOCC3)cc2C)C1=O ZINC000013470924 453464845 /nfs/dbraw/zinc/46/48/45/453464845.db2.gz QFMUFJOLPSGADN-VBKFSLOCSA-N 0 0 344.436 3.054 50 30 EGEARN CC(C)Cc1nc(OCC(=O)N2CCCCC2)c(C#N)c2c1CCC2 ZINC000013687659 453479547 /nfs/dbraw/zinc/47/95/47/453479547.db2.gz DSVYWPLTOPEJFX-UHFFFAOYSA-N 0 0 341.455 3.032 50 30 EGEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(C)[C@H]2c2ccccc2F)cc1 ZINC000017782580 453637684 /nfs/dbraw/zinc/63/76/84/453637684.db2.gz VWLPEKBLJHROIX-INIZCTEOSA-N 0 0 325.339 3.342 50 30 EGEARN CCN(CC)c1ccc(C(=O)c2cnc(/N=C/N(C)C)s2)cc1 ZINC000018022679 453641167 /nfs/dbraw/zinc/64/11/67/453641167.db2.gz FBODAPOHPFTVSK-XDHOZWIPSA-N 0 0 330.457 3.442 50 30 EGEARN CCOc1ccc(NC(=N)Nc2nc(C)cc(C(F)(F)F)n2)cc1 ZINC000018118530 453644618 /nfs/dbraw/zinc/64/46/18/453644618.db2.gz WVOTYSAYYFOYEW-UHFFFAOYSA-N 0 0 339.321 3.261 50 30 EGEARN C=CCN1c2ccccc2[C@@]2(NCCc3c4cc(C)ccc4[nH]c32)C1=O ZINC000020064218 453661976 /nfs/dbraw/zinc/66/19/76/453661976.db2.gz SDAUBHXFSFYAAR-QFIPXVFZSA-N 0 0 343.430 3.398 50 30 biogenic EGEARN Cc1ccccc1NC(=O)NCC#CCN1CCc2ccccc2C1 ZINC000075165073 453868525 /nfs/dbraw/zinc/86/85/25/453868525.db2.gz KUUHPORGLLIBBF-UHFFFAOYSA-N 0 0 333.435 3.178 50 30 EGEARN C=CCN1C(=O)/C(=C/c2ccc(OC)c(OCC)c2)SC1=S ZINC000033337760 453915023 /nfs/dbraw/zinc/91/50/23/453915023.db2.gz HUGKIBOIHQQYFT-UVTDQMKNSA-N 0 0 335.450 3.481 50 30 EGEARN COc1ccc(-c2cc(CCSC)c(C#N)c(N)n2)cc1OC ZINC000067676459 453954855 /nfs/dbraw/zinc/95/48/55/453954855.db2.gz IJRVQNFWHDTOPP-UHFFFAOYSA-N 0 0 329.425 3.125 50 30 EGEARN COC(=O)c1ccccc1NC=CC(=O)c1ccc2c(c1)OCO2 ZINC000044842538 454122089 /nfs/dbraw/zinc/12/20/89/454122089.db2.gz WZARQXXAFRDXPR-CMDGGOBGSA-N 0 0 325.320 3.010 50 30 EGEARN N#Cc1ccc(N[C@@H]2CCCN(c3ccc(C(F)(F)F)cn3)C2)nc1 ZINC000072474879 454295742 /nfs/dbraw/zinc/29/57/42/454295742.db2.gz BFZOYICBUFEIMZ-CQSZACIVSA-N 0 0 347.344 3.448 50 30 EGEARN CCOC(=O)C1=C(C)NC(=Cc2ccc(Cl)c(Cl)c2)C1=O ZINC000100065441 454463843 /nfs/dbraw/zinc/46/38/43/454463843.db2.gz CLKOZVSBCKEQSL-KPKJPENVSA-N 0 0 326.179 3.344 50 30 EGEARN CCOc1ccc(CCNC(C)=C2C(=O)CCCC2=O)cc1OCC ZINC000100140253 454464223 /nfs/dbraw/zinc/46/42/23/454464223.db2.gz QBOJIYVDPORDPZ-UHFFFAOYSA-N 0 0 345.439 3.212 50 30 EGEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(C)[C@H]2c2ccc(F)cc2)cc1 ZINC000100259446 454464969 /nfs/dbraw/zinc/46/49/69/454464969.db2.gz VFGUOAHFLBNCIA-UYTDBDHRSA-N 0 0 325.339 3.186 50 30 EGEARN CC1(C)CC(=O)C(=CNCc2cccc(Br)c2)C(=O)C1 ZINC000100444971 454465623 /nfs/dbraw/zinc/46/56/23/454465623.db2.gz JWCAGNYLEXPFQC-UHFFFAOYSA-N 0 0 336.229 3.381 50 30 EGEARN COc1ccc(CNC=C2C(=O)CC(c3ccccc3)CC2=O)cc1 ZINC000100613469 454466834 /nfs/dbraw/zinc/46/68/34/454466834.db2.gz CYLLFZFVYWTNCM-UHFFFAOYSA-N 0 0 335.403 3.385 50 30 EGEARN C=CCOc1ccccc1[C@H]1CC(=O)NCc2nc3cc(C)ccn3c21 ZINC000065371798 454555442 /nfs/dbraw/zinc/55/54/42/454555442.db2.gz BWHVQOYEQRMYPF-MRXNPFEDSA-N 0 0 347.418 3.359 50 30 EGEARN CN(C(=O)CN1CCC(C#N)(c2ccccc2)CC1)C1CCCCC1 ZINC000252479974 455807466 /nfs/dbraw/zinc/80/74/66/455807466.db2.gz BQYYUTBKNWAVJU-UHFFFAOYSA-N 0 0 339.483 3.335 50 30 EGEARN C[C@]12C[C@H](O)[C@@H]3[C@H](CCC4=CC(=O)C=C[C@@]43C)[C@H]1CC/C2=C/CO ZINC000257356030 455898076 /nfs/dbraw/zinc/89/80/76/455898076.db2.gz FIMYJWIQTVIDQB-GBUPKJRSSA-N 0 0 328.452 3.184 50 30 EGEARN Cc1ccc([C@@H](NC(=O)N2CCC(C#N)CC2)c2ccncc2)cc1 ZINC000426431718 457830023 /nfs/dbraw/zinc/83/00/23/457830023.db2.gz DCTUUUROFKOSPC-LJQANCHMSA-N 0 0 334.423 3.425 50 30 EGEARN CC(C)SCCNC(=O)c1cccc(-c2ccc(C#N)nc2)c1 ZINC000426470865 457837322 /nfs/dbraw/zinc/83/73/22/457837322.db2.gz ORQZOVTYPBFVBY-UHFFFAOYSA-N 0 0 325.437 3.492 50 30 EGEARN C#CCn1c2ccc(NC(C)=O)cc2s/c1=N\C(=O)c1ccccc1 ZINC000100875788 518343447 /nfs/dbraw/zinc/34/34/47/518343447.db2.gz PSIJTCKFMAFESY-VZCXRCSSSA-N 0 0 349.415 3.036 50 30 EGEARN C=C(C)COc1cccc(C(=O)N(C)Cc2[nH]nc3c2CCC3)c1 ZINC000055343977 518616739 /nfs/dbraw/zinc/61/67/39/518616739.db2.gz XBYDPFPGHYQSLA-UHFFFAOYSA-N 0 0 325.412 3.126 50 30 EGEARN CCNc1ncc(C(=O)N(CC#Cc2ccccc2)C2CCCC2)cn1 ZINC000055270709 520361574 /nfs/dbraw/zinc/36/15/74/520361574.db2.gz MISYCSOWAGRJLA-UHFFFAOYSA-N 0 0 348.450 3.345 50 30 EGEARN CCOC(=O)/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(C)=O ZINC000000358368 520392334 /nfs/dbraw/zinc/39/23/34/520392334.db2.gz OOYTZKYISRASMM-XNTDXEJSSA-N 0 0 329.308 3.390 50 30 EGEARN CCOc1ccc(/C=N/N2CCN(c3ccccc3OC)CC2)cc1 ZINC000000046767 520852260 /nfs/dbraw/zinc/85/22/60/520852260.db2.gz FRJFTKDLHMHBOO-LTGZKZEYSA-N 0 0 339.439 3.250 50 30 EGEARN COc1ccc(/C=N/OC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1OC ZINC000001437962 523450262 /nfs/dbraw/zinc/45/02/62/523450262.db2.gz GVCFVXPVBSZWAC-VCHYOVAHSA-N 0 0 344.323 3.111 50 30 EGEARN COc1ccc(OC)c(CN=Nc2nncc(-c3ccccc3)n2)c1 ZINC000015015553 524802216 /nfs/dbraw/zinc/80/22/16/524802216.db2.gz LNAFTCQFOSWOGF-YBFXNURJSA-N 0 0 335.367 3.002 50 30 EGEARN N#C[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)NCCc1ccccc1 ZINC000049545801 526495307 /nfs/dbraw/zinc/49/53/07/526495307.db2.gz OCUUXGPLGNPTPN-OAHLLOKOSA-N 0 0 335.382 3.348 50 30 EGEARN C=CCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(F)c(F)c1)CC(=O)N2 ZINC000820497023 1319899039 /nfs/dbraw/zinc/89/90/39/1319899039.db2.gz XLTLROWOJIAMGW-SECBINFHSA-N 0 0 349.362 3.213 50 30 EGEARN Cc1ccsc1CCNC(=O)c1cccc(C#CC(C)(C)O)c1 ZINC000952973725 1334627834 /nfs/dbraw/zinc/62/78/34/1334627834.db2.gz HRNCBMUNLMZQPS-UHFFFAOYSA-N 0 0 327.449 3.151 50 30 EGEARN C=C(C)COc1cccc(C(=O)N(C)[C@H](COC)c2ccccn2)c1 ZINC000055225073 214290860 /nfs/dbraw/zinc/29/08/60/214290860.db2.gz WYLNERNTWIWCPN-LJQANCHMSA-N 0 0 340.423 3.496 50 30 EGEARN C#CCN(CC=C)C(=O)CCC(=O)Nc1ccccc1C(C)(C)C ZINC000055227701 214292229 /nfs/dbraw/zinc/29/22/29/214292229.db2.gz LDLUABAMAZVIKC-UHFFFAOYSA-N 0 0 326.440 3.351 50 30 EGEARN C=CCNc1nc2c(cnn2C)c(Nc2ccc(OC)c(Cl)c2)n1 ZINC000004374887 210183859 /nfs/dbraw/zinc/18/38/59/210183859.db2.gz AIUWONVQFLIYCK-UHFFFAOYSA-N 0 0 344.806 3.367 50 30 EGEARN CN(/N=C/c1cc(Br)cs1)c1ccc(Cl)nn1 ZINC000004276789 210159220 /nfs/dbraw/zinc/15/92/20/210159220.db2.gz WXEWQMZBPZGXMF-WLRTZDKTSA-N 0 0 331.626 3.424 50 30 EGEARN CCN(C(=O)c1cccc(C#CC(C)(C)O)c1)[C@@H]1CCOC(C)(C)C1 ZINC000065383682 214882960 /nfs/dbraw/zinc/88/29/60/214882960.db2.gz OUKXRQHTSBZESP-GOSISDBHSA-N 0 0 343.467 3.229 50 30 EGEARN N#Cc1ccc(-c2ccco2)nc1SCC(=O)Nc1nccs1 ZINC000012250995 201835436 /nfs/dbraw/zinc/83/54/36/201835436.db2.gz WCAYLWFTDKZDQN-UHFFFAOYSA-N 0 0 342.405 3.401 50 30 EGEARN COc1ccc(-c2cc(C(F)(F)F)n3ncc(C#N)c3n2)cc1OC ZINC000013624926 201904087 /nfs/dbraw/zinc/90/40/87/201904087.db2.gz UWGZMUGFUYAMEK-UHFFFAOYSA-N 0 0 348.284 3.304 50 30 EGEARN COc1cccc(/C=N/N2CCN(Cc3ccc(C)cc3C)CC2)c1 ZINC000019791033 202021390 /nfs/dbraw/zinc/02/13/90/202021390.db2.gz USULRIAYAYZDBJ-PXLXIMEGSA-N 0 0 337.467 3.464 50 30 EGEARN N#Cc1c(N)nc2c(c1-c1ccco1)C(=N)Nc1ccccc1S2 ZINC000020094943 283077935 /nfs/dbraw/zinc/07/79/35/283077935.db2.gz CEGBCHSUKWDYSP-UHFFFAOYSA-N 0 0 333.376 3.297 50 30 EGEARN N#Cc1c2c(sc1NC(=O)c1ccc3c(c1)OCCO3)CCC2 ZINC000000310815 209529287 /nfs/dbraw/zinc/52/92/87/209529287.db2.gz FIHQCSNDVLXIHV-UHFFFAOYSA-N 0 0 326.377 3.132 50 30 EGEARN C=CCOC(=O)[C@H]1CC=CC[C@H]1C(=O)OCc1ccc(F)cc1F ZINC000023279729 212366091 /nfs/dbraw/zinc/36/60/91/212366091.db2.gz TVWMSLAJFYBAJH-LSDHHAIUSA-N 0 0 336.334 3.320 50 30 EGEARN COc1cc(/C=N/c2ccc(NC(C)=O)cc2)ccc1OC(C)=O ZINC000000068343 201430059 /nfs/dbraw/zinc/43/00/59/201430059.db2.gz IWQGMBJLRJIYSG-YBFXNURJSA-N 0 0 326.352 3.330 50 30 biogenic EGEARN COc1ccc2[nH]cc(C[C@H](C#N)C(=O)Nc3cccc(O)c3)c2c1 ZINC000061719562 202790029 /nfs/dbraw/zinc/79/00/29/202790029.db2.gz HLOYHKCBDPDUHJ-GFCCVEGCSA-N 0 0 335.363 3.203 50 30 EGEARN N#Cc1ccccc1C(=O)N[C@@H](c1ccc(F)cc1F)[C@H]1C[C@@H](O)C1 ZINC000243892979 243029914 /nfs/dbraw/zinc/02/99/14/243029914.db2.gz ANAOCIVPOMRMOM-UVBSCNOISA-N 0 0 342.345 3.078 50 30 EGEARN CCn1cc(-c2cc(-c3nc4cc(F)ccc4[nH]3)nc(N)c2C#N)cn1 ZINC000071575203 203100508 /nfs/dbraw/zinc/10/05/08/203100508.db2.gz BOEYOWSRBFTSIM-UHFFFAOYSA-N 0 0 347.357 3.101 50 30 EGEARN CCc1cc(-c2cc(-c3c(C)nn(CC)c3C)nc(N)c2C#N)on1 ZINC000071708138 203104058 /nfs/dbraw/zinc/10/40/58/203104058.db2.gz NHMWEEMSYNBFEU-UHFFFAOYSA-N 0 0 336.399 3.253 50 30 EGEARN CCn1cc(-c2cc(-c3ccc(C)cn3)nc(N)c2C#N)cc1C#N ZINC000071746841 203105675 /nfs/dbraw/zinc/10/56/75/203105675.db2.gz NKHLTVIBTDEJOC-UHFFFAOYSA-N 0 0 328.379 3.266 50 30 EGEARN COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2C)cc1 ZINC000102671640 204045288 /nfs/dbraw/zinc/04/52/88/204045288.db2.gz LIFKDENNUZQDGZ-GROYHEBESA-N 0 0 337.375 3.055 50 30 EGEARN O=C(C1=C(O)C(=O)N[C@@H]1c1ccccc1F)c1ccc(Cl)cc1 ZINC000102892612 204052870 /nfs/dbraw/zinc/05/28/70/204052870.db2.gz UWAKJUGIMPJUSW-SXWSKBOKSA-N 0 0 331.730 3.188 50 30 EGEARN N#Cc1ccc(Cl)cc1NC(=O)c1csc(-c2cnccn2)n1 ZINC000044123278 204296984 /nfs/dbraw/zinc/29/69/84/204296984.db2.gz TYJDAPRJGHHXRK-UHFFFAOYSA-N 0 0 341.783 3.377 50 30 EGEARN C=C(C)COc1c(I)cc(C#N)cc1OC ZINC000004827345 205720767 /nfs/dbraw/zinc/72/07/67/205720767.db2.gz YJMBKDXOAPAXHJ-UHFFFAOYSA-N 0 0 329.137 3.126 50 30 EGEARN Cc1ccccc1Cn1cccc(C(=O)Nc2ccccc2C#N)c1=O ZINC000005269154 205764295 /nfs/dbraw/zinc/76/42/95/205764295.db2.gz MXKIKQHWUUDXSS-UHFFFAOYSA-N 0 0 343.386 3.329 50 30 EGEARN C=CCn1c(C)c(C)c(S(=O)(=O)c2ccccc2)c1NC(C)=O ZINC000012390617 211366926 /nfs/dbraw/zinc/36/69/26/211366926.db2.gz ICVZHNAESVXDEI-UHFFFAOYSA-N 0 0 332.425 3.082 50 30 EGEARN C=CCOC(=O)c1c(N)n(Cc2ccco2)c2nc3ccccc3nc21 ZINC000004955029 210339204 /nfs/dbraw/zinc/33/92/04/210339204.db2.gz WMZDOXKGGQZFCY-UHFFFAOYSA-N 0 0 348.362 3.151 50 30 EGEARN C=CCN1CCN(C(=O)[C@H](C)Oc2cc(Cl)ccc2Cl)CC1 ZINC000012380417 258017356 /nfs/dbraw/zinc/01/73/56/258017356.db2.gz FELIRJRJTQKFGQ-LBPRGKRZSA-N 0 0 343.254 3.091 50 30 EGEARN N#Cc1ccc(NC(=O)C(=O)N2CCCCC[C@@H]2c2ccncc2)cc1 ZINC000193881907 153312164 /nfs/dbraw/zinc/31/21/64/153312164.db2.gz KRHPQMVUQSGLEK-GOSISDBHSA-N 0 0 348.406 3.036 50 30 EGEARN COc1cc2c(cc1OC)C(=O)/C(=C/c1cc3ccccc3[nH]c1=O)C2 ZINC000085880074 274102704 /nfs/dbraw/zinc/10/27/04/274102704.db2.gz XTXIVYLAMMDBNF-NTEUORMPSA-N 0 0 347.370 3.368 50 30 biogenic EGEARN C=CCNC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccco1)N2 ZINC000005043597 277872035 /nfs/dbraw/zinc/87/20/35/277872035.db2.gz OZNIKQGFKQLHMX-CABZTGNLSA-N 0 0 340.305 3.052 50 30 EGEARN COc1cccc(N2CCc3nc(N)c(C#N)c(-c4ccoc4)c3C2)c1 ZINC000072173751 278016903 /nfs/dbraw/zinc/01/69/03/278016903.db2.gz ONYDULKMNSONEC-UHFFFAOYSA-N 0 0 346.390 3.367 50 30 EGEARN CC1(C)CC(=O)C2=C(C1)NC(=O)C[C@@H]2C(=O)Nc1ccc(Cl)cc1 ZINC000100418185 278184267 /nfs/dbraw/zinc/18/42/67/278184267.db2.gz SGQWPKUDDYBADT-LBPRGKRZSA-N 0 0 346.814 3.058 50 30 EGEARN C[C@@H]1CN(CN2c3ccccc3/C(=N/c3ccccc3)C2=O)C[C@H](C)O1 ZINC000016609512 288184067 /nfs/dbraw/zinc/18/40/67/288184067.db2.gz LBEGJLYBEASKPC-QIMMGWNBSA-N 0 0 349.434 3.221 50 30 EGEARN CC1(C)CC(=O)C2=C(C1)NC(=O)C[C@H]2c1cc([N+](=O)[O-])ccc1Cl ZINC000004913030 280891244 /nfs/dbraw/zinc/89/12/44/280891244.db2.gz XNSUECSSSDXDAY-NSHDSACASA-N 0 0 348.786 3.495 50 30 EGEARN COc1ccc([C@H]2CC(=O)N(C)C3=C2C(=O)CC(C)(C)C3)c(OC)c1 ZINC000000353878 295247219 /nfs/dbraw/zinc/24/72/19/295247219.db2.gz JKKRIPGPWQBCTA-CQSZACIVSA-N 0 0 343.423 3.293 50 30 EGEARN COc1ccc([C@H]2Sc3nncn3N2Cc2ccc(C#N)cc2)cc1 ZINC000000215963 295251597 /nfs/dbraw/zinc/25/15/97/295251597.db2.gz FTDGQBYBKVZDRF-QGZVFWFLSA-N 0 0 349.419 3.101 50 30 EGEARN O=C1CCCC2=Nc3nc(-c4ccccc4)nn3[C@H](c3cccnc3)C12 ZINC000000066967 304623736 /nfs/dbraw/zinc/62/37/36/304623736.db2.gz ZCRBSFQBTBIZCA-GOSISDBHSA-N 0 0 343.390 3.362 50 30 EGEARN Cc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(Cl)cc1)C1=C(CCCC1=O)O2 ZINC000015082932 302646716 /nfs/dbraw/zinc/64/67/16/302646716.db2.gz ZVZAGDIUZJLHNZ-AWEZNQCLSA-N 0 0 342.782 3.263 50 30 EGEARN O=C(OCC1c2ccccc2-c2ccccc21)ON1C(=O)CCC1=O ZINC000000039226 452496334 /nfs/dbraw/zinc/49/63/34/452496334.db2.gz WMSUFWLPZLCIHP-UHFFFAOYSA-N 0 0 337.331 3.016 50 30 in-vitro EGEARN CN1C(=O)N[C@@H](c2cccc(Br)c2)C2=C1CCCC2=O ZINC000000067226 452498761 /nfs/dbraw/zinc/49/87/61/452498761.db2.gz AQYKSGSBEYJGCV-AWEZNQCLSA-N 0 0 335.201 3.152 50 30 EGEARN CCc1ccc([C@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)CCC3)s1 ZINC000000108073 452508397 /nfs/dbraw/zinc/50/83/97/452508397.db2.gz TVFAUPFMXXIZAH-KRWDZBQOSA-N 0 0 331.437 3.451 50 30 EGEARN O=S(=O)(N/N=C/c1cc(Cl)ccc1O)c1ccc(Cl)cc1 ZINC000000442013 452593392 /nfs/dbraw/zinc/59/33/92/452593392.db2.gz GEWCDEYVNBYFFI-LZYBPNLTSA-N 0 0 345.207 3.011 50 30 EGEARN CCOc1cc(/C=N/n2cnnc2)ccc1OCc1ccccc1C#N ZINC000000459838 452598523 /nfs/dbraw/zinc/59/85/23/452598523.db2.gz FAIYWRAURCSCBQ-FOKLQQMPSA-N 0 0 347.378 3.010 50 30 EGEARN N#C[C@@]1(Nc2ccccc2Br)C(=O)Nc2ccccc21 ZINC000000501869 452607727 /nfs/dbraw/zinc/60/77/27/452607727.db2.gz BSRATJSHJLPUQO-HNNXBMFYSA-N 0 0 328.169 3.232 50 30 EGEARN N#Cc1c(SCC(N)=O)nc2c(c1-c1cccs1)CCCC2 ZINC000000501198 452608018 /nfs/dbraw/zinc/60/80/18/452608018.db2.gz ACBOTRPMGFRFIY-UHFFFAOYSA-N 0 0 329.450 3.138 50 30 EGEARN CC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OC1CCCC1 ZINC000001127038 452645829 /nfs/dbraw/zinc/64/58/29/452645829.db2.gz IMHGJCRMFBJJBY-KRWDZBQOSA-N 0 0 330.453 3.390 50 30 EGEARN C#CCN1C(=O)S/C(=C/c2cccc(OC)c2OC(C)C)C1=O ZINC000001149898 452646714 /nfs/dbraw/zinc/64/67/14/452646714.db2.gz FDKKCWRXIRHPHS-GXDHUFHOSA-N 0 0 331.393 3.152 50 30 EGEARN Fc1ccc(C=NN2C(=S)N=NC2COc2ccccc2)cc1 ZINC000001250256 452649255 /nfs/dbraw/zinc/64/92/55/452649255.db2.gz GNEZZMCKIJMSIT-VCHYOVAHSA-N 0 0 328.372 3.167 50 30 EGEARN N#CC(c1nc2ccccc2nc1Cl)S(=O)(=O)c1ccccc1 ZINC000001633728 452671545 /nfs/dbraw/zinc/67/15/45/452671545.db2.gz XDUDZMHWULSAEP-CQSZACIVSA-N 0 0 343.795 3.322 50 30 EGEARN C=CCNC(=O)CSc1nc(-c2ccco2)cc(C(F)(F)F)n1 ZINC000002485396 452699985 /nfs/dbraw/zinc/69/99/85/452699985.db2.gz NDUFAJPNOVQUFM-UHFFFAOYSA-N 0 0 343.330 3.150 50 30 EGEARN COc1ccc(OC)c(-c2cc(C(=O)Nc3ccc(C#N)cc3)no2)c1 ZINC000003908357 452788741 /nfs/dbraw/zinc/78/87/41/452788741.db2.gz ZWFIQZMWIGTPLJ-UHFFFAOYSA-N 0 0 349.346 3.483 50 30 EGEARN CSc1nc2n(n1)[C@@H](c1cccc(C)c1)C1C(=O)CCCC1=N2 ZINC000004436084 452804930 /nfs/dbraw/zinc/80/49/30/452804930.db2.gz AFMQMRCPSXSRKR-HNNXBMFYSA-N 0 0 326.425 3.330 50 30 EGEARN CCOc1ccc(C(=O)Nc2sc(C(=O)OC)c(C)c2C#N)cc1 ZINC000004537767 452807047 /nfs/dbraw/zinc/80/70/47/452807047.db2.gz KPDOLBKQHLDGCC-UHFFFAOYSA-N 0 0 344.392 3.366 50 30 EGEARN O=[N+]([O-])c1ccc(N=NCc2c[nH]c3ccccc23)c([N+](=O)[O-])c1 ZINC000004611257 452811375 /nfs/dbraw/zinc/81/13/75/452811375.db2.gz MUTZZELKZCVYEZ-RQZCQDPDSA-N 0 0 325.284 3.430 50 30 EGEARN CCC(=O)N=C(NC(=O)CC)Nc1nc(C)c2ccc(C)cc2n1 ZINC000004681199 452812066 /nfs/dbraw/zinc/81/20/66/452812066.db2.gz SOHVZXYWFYEFBF-UHFFFAOYSA-N 0 0 327.388 3.318 50 30 EGEARN CC/N=C1/S/C(=C/C(=O)Nc2ccc(Cl)cc2)C(=O)N1CC ZINC000004704091 452815280 /nfs/dbraw/zinc/81/52/80/452815280.db2.gz HGAOVHNKNIYFEA-VAOWDNLSSA-N 0 0 337.832 3.134 50 30 EGEARN Cc1cc(N=NC(C)c2ccc(Cl)cc2)nc(N2CCOCC2)n1 ZINC000004811866 452819871 /nfs/dbraw/zinc/81/98/71/452819871.db2.gz HXEFREKIXSEYCK-FYJGNVAPSA-N 0 0 345.834 3.111 50 30 EGEARN C=CCSc1nc2c(c(=O)[nH]1)[C@@H](c1cccc(Cl)c1)CC(=O)N2 ZINC000004944236 452827484 /nfs/dbraw/zinc/82/74/84/452827484.db2.gz UUXNPLBVTYKDHK-LLVKDONJSA-N 0 0 347.827 3.176 50 30 EGEARN C#CCSc1nnc(CNC(=O)c2ccc(C(C)(C)C)cc2)o1 ZINC000005107349 452837575 /nfs/dbraw/zinc/83/75/75/452837575.db2.gz VYWMNXUZFZKEEB-UHFFFAOYSA-N 0 0 329.425 3.022 50 30 EGEARN CO/N=C1/c2ccccc2-c2[nH]nc(-c3ccc(OC)c(OC)c3)c21 ZINC000005210920 452848865 /nfs/dbraw/zinc/84/88/65/452848865.db2.gz WUDHUMMKFFHXSC-QOCHGBHMSA-N 0 0 335.363 3.473 50 30 EGEARN COC(=O)c1ccc(/C=C2/S/C(=N\c3ccccc3)NC2=O)cc1 ZINC000005234142 452850370 /nfs/dbraw/zinc/85/03/70/452850370.db2.gz VAHHBRXUTKATAF-RVDMUPIBSA-N 0 0 338.388 3.365 50 30 EGEARN O=C(C=C1NCCc2cc3c(cc21)OCO3)c1ccc(Cl)cc1 ZINC000005421110 452871962 /nfs/dbraw/zinc/87/19/62/452871962.db2.gz QSQOYJWWPRDKEV-DHDCSXOGSA-N 0 0 327.767 3.438 50 30 EGEARN COc1nc2ccccc2nc1[C@H](C#N)C(=O)Nc1cccc(C)c1 ZINC000005483260 452879074 /nfs/dbraw/zinc/87/90/74/452879074.db2.gz HPHWWUFRAUNDJB-AWEZNQCLSA-N 0 0 332.363 3.193 50 30 EGEARN Oc1ccc(C=NNc2nc3ccccc3[nH]2)cc1Br ZINC000005729142 452899436 /nfs/dbraw/zinc/89/94/36/452899436.db2.gz GTZOZUXKJSSUGX-LZYBPNLTSA-N 0 0 331.173 3.477 50 30 EGEARN CCC(N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(O)cc1 ZINC000012401983 453359690 /nfs/dbraw/zinc/35/96/90/453359690.db2.gz RVEHKPJNMYYCIS-SSZFMOIBSA-N 0 0 330.300 3.435 50 30 EGEARN N=C(NOC(=O)CC(c1ccccc1)c1ccccc1)c1cccnc1 ZINC000013598894 453473936 /nfs/dbraw/zinc/47/39/36/453473936.db2.gz GMSUQDVQSOPETG-UHFFFAOYSA-N 0 0 345.402 3.467 50 30 EGEARN C[C@H]1C[C@H]1c1ccc(/C=C2\C(=O)c3ccccc3S(=O)(=O)N2C)o1 ZINC000013655852 453479015 /nfs/dbraw/zinc/47/90/15/453479015.db2.gz WTSMIYHHQIFZKW-NGLQBVDKSA-N 0 0 343.404 3.261 50 30 EGEARN O=C1Nc2ccccc2/C1=C1/S/C(=N/c2ccc(F)cc2)NC1=O ZINC000013777942 453488445 /nfs/dbraw/zinc/48/84/45/453488445.db2.gz FKHOZTQBFJOYNQ-YPKPFQOOSA-N 0 0 339.351 3.040 50 30 EGEARN O=S(=O)(N/N=C\c1ccc(Cl)cc1Cl)c1ccccc1 ZINC000013856350 453491281 /nfs/dbraw/zinc/49/12/81/453491281.db2.gz GXHCURFFVDKZPK-SXGWCWSVSA-N 0 0 329.208 3.306 50 30 EGEARN Cc1ccc(-n2nnnc2[C@H](C#N)C(=O)c2ccc(Cl)cc2)cc1 ZINC000016311429 453599557 /nfs/dbraw/zinc/59/95/57/453599557.db2.gz MFLKKHJSDUXLMI-OAHLLOKOSA-N 0 0 337.770 3.114 50 30 EGEARN c1nnc2c3ccccc3c(N=NCc3c[nH]c4ccccc34)nn12 ZINC000017180434 453631276 /nfs/dbraw/zinc/63/12/76/453631276.db2.gz NIYXDHWDMMBHGP-KEBDBYFISA-N 0 0 327.351 3.205 50 30 EGEARN CC1=C(C(=O)OC(C)C)[C@@H](c2ccncc2)C2=C(CCCC2=O)N1 ZINC000019315184 453656060 /nfs/dbraw/zinc/65/60/60/453656060.db2.gz UEDCHNUUVXWJBO-QGZVFWFLSA-N 0 0 326.396 3.001 50 30 EGEARN CCOC(=O)On1c(SCCC(C)C)nc2ccccc2c1=O ZINC000035178122 453922619 /nfs/dbraw/zinc/92/26/19/453922619.db2.gz CYHSMPWKABREQM-UHFFFAOYSA-N 0 0 336.413 3.120 50 30 EGEARN O=C(CN1CCC2(CC1)OCCO2)Nc1cc(Cl)ccc1Cl ZINC000082098397 453923753 /nfs/dbraw/zinc/92/37/53/453923753.db2.gz AHPGYBGYDLFQJF-UHFFFAOYSA-N 0 0 345.226 3.420 50 30 EGEARN O=C(/C=C\c1ccc(I)o1)c1cccnc1 ZINC000037246057 453934548 /nfs/dbraw/zinc/93/45/48/453934548.db2.gz KTGMOOGKHWHAQC-HYXAFXHYSA-N 0 0 325.105 3.175 50 30 EGEARN CCn1cc(-c2c(C)c([C@@H]3CCOC(C)(C)C3)nc(N)c2C#N)cn1 ZINC000067605395 453947900 /nfs/dbraw/zinc/94/79/00/453947900.db2.gz CJSGJYYNQOCRCG-CYBMUJFWSA-N 0 0 339.443 3.400 50 30 EGEARN N#Cc1cccnc1N1CC[C@@H](c2ccc3ccccc3c2)[C@H](O)C1 ZINC000067821500 453969668 /nfs/dbraw/zinc/96/96/68/453969668.db2.gz VFEOKBKFSKSNLG-VQTJNVASSA-N 0 0 329.403 3.461 50 30 EGEARN CC/C(=N\NS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1O ZINC000062779955 454385745 /nfs/dbraw/zinc/38/57/45/454385745.db2.gz KYCWNZGXYIDXDK-SAPNQHFASA-N 0 0 338.816 3.138 50 30 EGEARN Cc1ccc(S(=O)(=O)OC[C@]2(C)C(=O)C[C@]3(C(C)C)C[C@@H]32)cc1 ZINC000101082079 454469205 /nfs/dbraw/zinc/46/92/05/454469205.db2.gz KAYDIWFMEXYNLW-NJAFHUGGSA-N 0 0 336.453 3.342 50 30 EGEARN COc1ccc([C@H]2C(=C(C)O)C(=O)C(=O)N2c2ccc(F)cc2)cc1 ZINC000102431589 454504894 /nfs/dbraw/zinc/50/48/94/454504894.db2.gz GMPNMVHBJCPPJS-YTBHAWNYSA-N 0 0 341.338 3.323 50 30 EGEARN CCOC(=O)C(=CNc1ccccc1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000102921689 454527025 /nfs/dbraw/zinc/52/70/25/454527025.db2.gz VLGQZQIGXXGRLN-VBKFSLOCSA-N 0 0 340.335 3.337 50 30 EGEARN CCn1cc(CN2CCN(c3ccccc3OC)C[C@H]2C)cc1C#N ZINC000106946196 454734975 /nfs/dbraw/zinc/73/49/75/454734975.db2.gz VTJQDNQJAXTJON-MRXNPFEDSA-N 0 0 338.455 3.099 50 30 EGEARN C#CCCCS(=O)(=O)Nc1ccc2oc(C(F)(F)F)nc2c1 ZINC000585136376 459828758 /nfs/dbraw/zinc/82/87/58/459828758.db2.gz CTPLEGKFVCMICB-UHFFFAOYSA-N 0 0 332.303 3.002 50 30 EGEARN C#CCn1c2c(cccc2F)s/c1=N\C(=O)c1ccccc1OC ZINC000100877865 518340623 /nfs/dbraw/zinc/34/06/23/518340623.db2.gz FMSGCPIFIZFANR-ZZEZOPTASA-N 0 0 340.379 3.225 50 30 EGEARN C=CCN1C(=O)N(c2ccccc2)C(=O)[C@H]1CC(=O)Nc1ccccc1 ZINC000005274798 518837276 /nfs/dbraw/zinc/83/72/76/518837276.db2.gz OVXWKQDUUUVPRB-QGZVFWFLSA-N 0 0 349.390 3.039 50 30 EGEARN C=CCSc1nccc(-c2nn(-c3ccc(C)cc3)ccc2=O)n1 ZINC000005746805 519083766 /nfs/dbraw/zinc/08/37/66/519083766.db2.gz QSKWJKMGWQGQFN-UHFFFAOYSA-N 0 0 336.420 3.276 50 30 EGEARN CCOc1cc(CN=Nc2nncc(-c3ccccc3)n2)ccc1O ZINC000004476784 520644865 /nfs/dbraw/zinc/64/48/65/520644865.db2.gz PKCKIOWTYKFSPM-YBFXNURJSA-N 0 0 335.367 3.089 50 30 EGEARN COc1ccc(C(=O)/C=C/c2cc(OC)c3c(c2OC)OCO3)cc1 ZINC000015106075 523538873 /nfs/dbraw/zinc/53/88/73/523538873.db2.gz BQLZVALKXAHNLJ-RMKNXTFCSA-N 0 0 342.347 3.337 50 30 EGEARN CC[C@H](C)/N=C/c1c(=O)n2cccc(C)c2nc1NCc1ccco1 ZINC000018010064 523821380 /nfs/dbraw/zinc/82/13/80/523821380.db2.gz WUPHGRKJEJGDKR-PVGUKEHMSA-N 0 0 338.411 3.425 50 30 EGEARN Cc1cccc(C(=N)NOC(=O)c2ccccc2Br)c1 ZINC000004170081 524150167 /nfs/dbraw/zinc/15/01/67/524150167.db2.gz YWZDFZMKMFEXOQ-UHFFFAOYSA-N 0 0 333.185 3.235 50 30 EGEARN COc1ccccc1OCC#CCNC(=O)c1c(F)cccc1Cl ZINC000090610364 524655446 /nfs/dbraw/zinc/65/54/46/524655446.db2.gz TVOMPNRDBPXBEQ-UHFFFAOYSA-N 0 0 347.773 3.300 50 30 EGEARN Cc1ccc(-c2nc(C#N)c(S(=O)(=O)N3CCCC[C@@H]3C)o2)cc1 ZINC000826802948 1320405225 /nfs/dbraw/zinc/40/52/25/1320405225.db2.gz VJMCJVGNEWYXTL-ZDUSSCGKSA-N 0 0 345.424 3.085 50 30 EGEARN C=CCN(Cc1ccccc1OC)C(=O)c1cc(OC)ccc1O ZINC000055074496 214269894 /nfs/dbraw/zinc/26/98/94/214269894.db2.gz XATFLOYZTQQDSU-UHFFFAOYSA-N 0 0 327.380 3.238 50 30 EGEARN C=CC[C@@H]1CC=C[C@@H](c2ccccc2)N1C(=O)c1cnc(N)nc1C ZINC000055225990 214291381 /nfs/dbraw/zinc/29/13/81/214291381.db2.gz KEJWAHCZGMSVLR-AEFFLSMTSA-N 0 0 334.423 3.455 50 30 EGEARN C=C(C)COc1ccc(C(=O)NCc2ccccc2-n2cncn2)cc1 ZINC000055245082 214295394 /nfs/dbraw/zinc/29/53/94/214295394.db2.gz WQJPXYNGRQNROB-UHFFFAOYSA-N 0 0 348.406 3.152 50 30 EGEARN CC(=O)Nc1ccc(C(C)N=Nc2ccc(C#N)cc2[N+](=O)[O-])cc1 ZINC000004519757 210212793 /nfs/dbraw/zinc/21/27/93/210212793.db2.gz KLDLGYPMZDEWSM-RGVLZGJSSA-N 0 0 337.339 3.261 50 30 EGEARN Brc1ccc(/C=N/N2CCN(c3ccccn3)CC2)cc1 ZINC000100573476 219101797 /nfs/dbraw/zinc/10/17/97/219101797.db2.gz WXZJXFSHOLVUHW-CPNJWEJPSA-N 0 0 345.244 3.000 50 30 EGEARN CCSc1nc2n(n1)[C@H](c1ccccc1)C1C(=O)CCCC1=N2 ZINC000004436126 210192090 /nfs/dbraw/zinc/19/20/90/210192090.db2.gz JKAJNXZZXGYGAX-OAHLLOKOSA-N 0 0 326.425 3.412 50 30 EGEARN C=CCN1c2ccccc2[C@](O)(CC(=O)c2ccc(CC)cc2)C1=O ZINC000004164450 210137307 /nfs/dbraw/zinc/13/73/07/210137307.db2.gz JKQSOEXJJMOKKR-OAQYLSRUSA-N 0 0 335.403 3.242 50 30 EGEARN COc1cc([O-])c(C(=O)/C=C/c2ccc(OC)c(O)c2)c(OC)c1 ZINC000004100763 210119451 /nfs/dbraw/zinc/11/94/51/210119451.db2.gz WMOWJHFPSNZXSK-GQCTYLIASA-N 0 0 330.336 3.020 50 30 in-vitro EGEARN CCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccccc1Cl ZINC000003191399 209975383 /nfs/dbraw/zinc/97/53/83/209975383.db2.gz KNTWGJYREMHVJQ-AWEZNQCLSA-N 0 0 347.798 3.194 50 30 EGEARN CC[C@H](C)Oc1cccc(Cn2ccc3nc(O)c(C#N)cc3c2=O)c1 ZINC000067674588 215178389 /nfs/dbraw/zinc/17/83/89/215178389.db2.gz CMTXEZAMEDTHAL-ZDUSSCGKSA-N 0 0 349.390 3.199 50 30 EGEARN CC(C)(O)C#Cc1cccc(C(=O)NCCc2c[nH]c3ccccc23)c1 ZINC000067783881 215211206 /nfs/dbraw/zinc/21/12/06/215211206.db2.gz NRQGQMNGOJBRBD-UHFFFAOYSA-N 0 0 346.430 3.263 50 30 EGEARN CCOC(=O)COc1ccccc1C=C1C(=O)c2ccccc2C1=O ZINC000002748650 209901840 /nfs/dbraw/zinc/90/18/40/209901840.db2.gz ALWINLBPXSBLOL-UHFFFAOYSA-N 0 0 336.343 3.091 50 30 EGEARN CCOP(=O)(OCC)/C(C#N)=N/OC(=O)NC1CCCCC1 ZINC000002268351 209835045 /nfs/dbraw/zinc/83/50/45/209835045.db2.gz KWXYJRLDFJSPEG-FOWTUZBSSA-N 0 0 331.309 3.148 50 30 EGEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(O)cc1 ZINC000019229021 290922094 /nfs/dbraw/zinc/92/20/94/290922094.db2.gz VTNYBNGREGVNLD-KRWDZBQOSA-N 0 0 341.407 3.169 50 30 EGEARN C#CCOc1cccc([C@@H]2CC(=O)Nc3c2ncn3-c2cccnc2)c1 ZINC000040282890 213287248 /nfs/dbraw/zinc/28/72/48/213287248.db2.gz GBHBLMDWXQZJQF-KRWDZBQOSA-N 0 0 344.374 3.403 50 30 EGEARN CCOc1cc(/C=N/n2cnnc2)ccc1OCc1ccc(F)cc1 ZINC000000459693 209613630 /nfs/dbraw/zinc/61/36/30/209613630.db2.gz VUFQNDJJMBORPR-LSHDLFTRSA-N 0 0 340.358 3.277 50 30 EGEARN C=CCOc1ccccc1-c1c(C)c(-c2cnn(C)c2)nc(N)c1C#N ZINC000071754095 215811007 /nfs/dbraw/zinc/81/10/07/215811007.db2.gz HXPAYDSAVAJJMH-UHFFFAOYSA-N 0 0 345.406 3.476 50 30 EGEARN N#Cc1nc(Cc2cccc3ccccc32)oc1N1CCC[C@H](O)C1 ZINC000072427579 216218832 /nfs/dbraw/zinc/21/88/32/216218832.db2.gz DTOIYCUNKWUFJS-INIZCTEOSA-N 0 0 333.391 3.251 50 30 EGEARN C[C@](O)(C#C[C@@](O)(c1ccccc1)C(F)(F)F)c1cccc(F)c1 ZINC000004334547 291334583 /nfs/dbraw/zinc/33/45/83/291334583.db2.gz HHUJOCNZCDDYGB-DLBZAZTESA-N 0 0 338.300 3.487 50 30 EGEARN O=C1c2ccc([O-])c(C[NH+]3CCCCC3)c2O/C1=C\c1ccncc1 ZINC000020518047 212142967 /nfs/dbraw/zinc/14/29/67/212142967.db2.gz XUZFOABLDIWBTO-PDGQHHTCSA-N 0 0 336.391 3.389 50 30 EGEARN COc1cccc(/C=C2\Oc3cc(OC(C)=O)ccc3C2=O)c1OC ZINC000012663011 211431627 /nfs/dbraw/zinc/43/16/27/211431627.db2.gz OTROMGVUMSJIEG-MFOYZWKCSA-N 0 0 340.331 3.245 50 30 biogenic EGEARN C=CCNC(=O)/C(=C\c1ccc(Cl)cc1)NC(=O)c1ccccc1 ZINC000012343773 211352534 /nfs/dbraw/zinc/35/25/34/211352534.db2.gz DLRCWYOWXQOETM-GHRIWEEISA-N 0 0 340.810 3.413 50 30 EGEARN C=CCC(=O)NC[C@@H]1Cc2c(ccc3cc(-c4ncccn4)ccc23)O1 ZINC000012038320 211282714 /nfs/dbraw/zinc/28/27/14/211282714.db2.gz INKSUKQSJPSKGE-INIZCTEOSA-N 0 0 345.402 3.293 50 30 EGEARN Cc1c([C@@H](C)NC(=O)c2ccc(C#N)nc2)cnn1-c1cccc(F)c1 ZINC000091391044 218000194 /nfs/dbraw/zinc/00/01/94/218000194.db2.gz WSGLMVZOWMHIRL-GFCCVEGCSA-N 0 0 349.369 3.078 50 30 EGEARN C=CCNC(=O)c1coc(COc2cccc(C(F)(F)F)c2)n1 ZINC000011879651 211264997 /nfs/dbraw/zinc/26/49/97/211264997.db2.gz XCYMYLYOKVSOCN-UHFFFAOYSA-N 0 0 326.274 3.188 50 30 EGEARN Cc1c(C)n(-c2cccnc2)c(NC(=O)COc2ccccc2)c1C#N ZINC000009418887 211081700 /nfs/dbraw/zinc/08/17/00/211081700.db2.gz GYBHCTUGTWDKPG-UHFFFAOYSA-N 0 0 346.390 3.378 50 30 EGEARN C[C@@H]1CCC[C@H](N2CN=C(Nc3nc4ccccc4o3)NC2)[C@@H]1C ZINC000009015936 211031793 /nfs/dbraw/zinc/03/17/93/211031793.db2.gz LQXFYMSTKVYQHS-NFAWXSAZSA-N 0 0 327.432 3.050 50 30 EGEARN C=CCn1c(SCC(=O)OCC)nnc1-c1csc(CC)c1 ZINC000005950085 210564768 /nfs/dbraw/zinc/56/47/68/210564768.db2.gz VSKJOQBGUNAEEC-UHFFFAOYSA-N 0 0 337.470 3.410 50 30 EGEARN COC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1cccs1)C2=O ZINC000005163329 210404801 /nfs/dbraw/zinc/40/48/01/210404801.db2.gz RVXVIYMYLNQZND-XBDQXEDDSA-N 0 0 330.361 3.305 50 30 EGEARN CCCN(CCC)c1nc2ccccc2nc1[C@@H](C#N)C(=O)OC ZINC000004901675 210317521 /nfs/dbraw/zinc/31/75/21/210317521.db2.gz CGHAQWBHLAFCHN-CYBMUJFWSA-N 0 0 326.400 3.036 50 30 EGEARN C=CCn1c(CC(C)C)nnc1SCC(=O)Nc1ccccc1 ZINC000006701075 258044839 /nfs/dbraw/zinc/04/48/39/258044839.db2.gz SBKAAYDQRSTREP-UHFFFAOYSA-N 0 0 330.457 3.393 50 30 EGEARN CCCCOC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCCC1 ZINC000002195672 258049642 /nfs/dbraw/zinc/04/96/42/258049642.db2.gz FROQFDHYSKHDRN-CQSZACIVSA-N 0 0 338.411 3.180 50 30 EGEARN Cc1c(/N=C/c2ccc([N+](=O)[O-])cc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000100064431 274657515 /nfs/dbraw/zinc/65/75/15/274657515.db2.gz NSSULSLBESMEON-OVCLIPMQSA-N 0 0 330.256 3.470 50 30 EGEARN COc1nc(N)c2c(c1C#N)NC1=C(C(=O)CCC1)[C@@H]2c1ccccc1 ZINC000019874995 295453154 /nfs/dbraw/zinc/45/31/54/295453154.db2.gz HSRXKWLHMUXPOA-HNNXBMFYSA-N 0 0 346.390 3.109 50 30 EGEARN Cc1cc(C)c(C#N)c(SCC(=O)c2ccc3c(c2)OCO3)n1 ZINC000000075941 452500878 /nfs/dbraw/zinc/50/08/78/452500878.db2.gz ZAMFIUHZNDCNOD-UHFFFAOYSA-N 0 0 326.377 3.274 50 30 EGEARN CC(O)=C1C(=O)C(=O)N(c2ccc(F)cc2)[C@H]1c1ccccc1F ZINC000000082741 452502188 /nfs/dbraw/zinc/50/21/88/452502188.db2.gz HVCJIYUJGLOKAU-INIZCTEOSA-N 0 0 329.302 3.454 50 30 EGEARN Cc1cc(SCc2c[n+]([O-])c(N)c(C#N)n2)c(Cl)cc1Cl ZINC000000153037 452523709 /nfs/dbraw/zinc/52/37/09/452523709.db2.gz QZAFMURDSJIDDY-UHFFFAOYSA-N 0 0 341.223 3.076 50 30 EGEARN N#Cc1nc(COc2ccccc2)oc1NCc1ccc2c(c1)OCO2 ZINC000000200350 452532665 /nfs/dbraw/zinc/53/26/65/452532665.db2.gz FZPSDQKXGHCUBF-UHFFFAOYSA-N 0 0 349.346 3.466 50 30 EGEARN CCOC(=O)[C@@H](C#N)[C@@]1(c2ccc(OC)cc2)CCOC(C)(C)C1 ZINC000000209734 452537297 /nfs/dbraw/zinc/53/72/97/452537297.db2.gz GHWOYMJONOHRTR-APWZRJJASA-N 0 0 331.412 3.225 50 30 EGEARN C=CCN1c2ccccc2[C@@](O)(CC(=O)c2ccc(C)cc2C)C1=O ZINC000000299847 452556859 /nfs/dbraw/zinc/55/68/59/452556859.db2.gz DHMKVZXCKRATBD-NRFANRHFSA-N 0 0 335.403 3.297 50 30 EGEARN O=c1c2ccccc2nc(-c2ccco2)n1/N=C/c1ccccc1O ZINC000000349424 452567633 /nfs/dbraw/zinc/56/76/33/452567633.db2.gz PSZGBZQPQQYPQD-UDWIEESQSA-N 0 0 331.331 3.244 50 30 EGEARN CCN(CC)C(=O)c1sc(NC(=O)c2ccco2)c(C#N)c1C ZINC000000350697 452568065 /nfs/dbraw/zinc/56/80/65/452568065.db2.gz RPYHLXBFTGRHOT-UHFFFAOYSA-N 0 0 331.397 3.256 50 30 EGEARN O=C1c2cccc3cccc(c32)C(=O)N1/N=C/c1cccc([N+](=O)[O-])c1 ZINC000000446250 452593409 /nfs/dbraw/zinc/59/34/09/452593409.db2.gz BNQUBONCPYDFNS-RGVLZGJSSA-N 0 0 345.314 3.378 50 30 EGEARN CC(O)=C1C(=O)C(=O)N(c2ccccc2)[C@@H]1c1ccccc1[N+](=O)[O-] ZINC000000450239 452595727 /nfs/dbraw/zinc/59/57/27/452595727.db2.gz CPIOJOZJRHKMMA-MRXNPFEDSA-N 0 0 338.319 3.084 50 30 EGEARN Cc1ccc(S(=O)(=O)N/N=C(\c2ccccc2)C(F)(F)F)cc1 ZINC000000509977 452610377 /nfs/dbraw/zinc/61/03/77/452610377.db2.gz QACLRZKZKDFMCQ-XMHGGMMESA-N 0 0 342.342 3.240 50 30 EGEARN CCOC(=O)C1=C2CCCC[C@@H]2[C@H](c2ccccc2)C(C#N)(C#N)C1=O ZINC000000507109 452610745 /nfs/dbraw/zinc/61/07/45/452610745.db2.gz REIBZBDQMVFGEB-WMZOPIPTSA-N 0 0 348.402 3.436 50 30 EGEARN CCCc1nc2ccccc2c(=O)n1/N=C/c1ccc([N+](=O)[O-])cc1 ZINC000000545902 452620979 /nfs/dbraw/zinc/62/09/79/452620979.db2.gz LOFOPCZAUATTCT-XDHOZWIPSA-N 0 0 336.351 3.139 50 30 EGEARN N#CCN(CC#N)C(=O)c1cc(-c2ccccc2)nc2ccccc21 ZINC000000549791 452621020 /nfs/dbraw/zinc/62/10/20/452621020.db2.gz AJIGJYSQWJYMPN-UHFFFAOYSA-N 0 0 326.359 3.391 50 30 EGEARN O=c1c2c(-c3ccccc3)csc2ncn1/N=C/c1cccnc1 ZINC000001466058 452666174 /nfs/dbraw/zinc/66/61/74/452666174.db2.gz QZVCLSPJXBGLBB-UFFVCSGVSA-N 0 0 332.388 3.402 50 30 EGEARN C=CCOc1ccc(/C=C2\NC(=S)N(CCCC)C2=O)cc1OC ZINC000002146136 452688445 /nfs/dbraw/zinc/68/84/45/452688445.db2.gz QWNWCRXQNLAASF-KAMYIIQDSA-N 0 0 346.452 3.118 50 30 EGEARN COc1ccc(C)cc1NC(=S)N/N=C/c1cccc([N+](=O)[O-])c1 ZINC000002156265 452688816 /nfs/dbraw/zinc/68/88/16/452688816.db2.gz RBFWNKHUHWWMCO-LICLKQGHSA-N 0 0 344.396 3.232 50 30 EGEARN C=CCOn1c(=O)c(-c2cccc3ccccc32)[n+]([O-])c2ccccc21 ZINC000002339747 452691948 /nfs/dbraw/zinc/69/19/48/452691948.db2.gz YRXMIBZRVCQIAH-UHFFFAOYSA-N 0 0 344.370 3.070 50 30 EGEARN C=CCOC(=O)COc1ccc2c3c(c(=O)oc2c1C)CCCC3 ZINC000002479781 452699712 /nfs/dbraw/zinc/69/97/12/452699712.db2.gz SWLOBVWNBCTVOY-UHFFFAOYSA-N 0 0 328.364 3.088 50 30 EGEARN C/C(=N\NC(=S)Nc1ccccc1)[C@@H]1Cc2ccccc2C(=O)O1 ZINC000005187209 452845123 /nfs/dbraw/zinc/84/51/23/452845123.db2.gz LVWDGRHUAJXZKL-DORSJAEJSA-N 0 0 339.420 3.131 50 30 EGEARN CSc1nc(NCCOC(C)=O)c(C#N)c(-c2ccc(C)cc2)n1 ZINC000005607436 452888804 /nfs/dbraw/zinc/88/88/04/452888804.db2.gz RBNWMJMTKGVIGE-UHFFFAOYSA-N 0 0 342.424 3.021 50 30 EGEARN N#Cc1ccc(NC(=O)[C@@H]2CC(=O)N(C3CCCCC3)C2)cc1Cl ZINC000006471147 452946189 /nfs/dbraw/zinc/94/61/89/452946189.db2.gz CUJGFXJTYBXTCU-CYBMUJFWSA-N 0 0 345.830 3.331 50 30 EGEARN CCN(CC)c1ccc([C@@H]2C3C(=O)CCCC3=Nc3ncnn32)cc1 ZINC000006721133 452975577 /nfs/dbraw/zinc/97/55/77/452975577.db2.gz ODOAUDLJIGITJU-GOSISDBHSA-N 0 0 337.427 3.146 50 30 EGEARN O=C1Nc2ccccc2C1=NNc1c(F)c(F)c(F)c(F)c1F ZINC000006927941 453007974 /nfs/dbraw/zinc/00/79/74/453007974.db2.gz HNGIFCIAQUAPEE-UHFFFAOYSA-N 0 0 327.212 3.150 50 30 EGEARN CC(C)CCN1CC(=O)C(c2nc(-c3ccccc3)cs2)=C1N ZINC000013655659 453478654 /nfs/dbraw/zinc/47/86/54/453478654.db2.gz LIIGAPIRNMTDCJ-UHFFFAOYSA-N 0 0 327.453 3.368 50 30 EGEARN O=C1N/C(=N\c2ccccc2)S[C@@H]1Cc1cccc([N+](=O)[O-])c1 ZINC000016956637 453624705 /nfs/dbraw/zinc/62/47/05/453624705.db2.gz YWAGAWNYNWPBQU-CQSZACIVSA-N 0 0 327.365 3.057 50 30 EGEARN CCOc1ccc([C@H]2c3c(=O)[nH][nH]c3NC3=C2C(=O)CCC3)cc1 ZINC000018195425 453647470 /nfs/dbraw/zinc/64/74/70/453647470.db2.gz NVBCPFATVBHZOI-CQSZACIVSA-N 0 0 325.368 3.079 50 30 EGEARN COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1c[nH]c2ccccc21 ZINC000019834784 453659464 /nfs/dbraw/zinc/65/94/64/453659464.db2.gz WTMPYVQGFNLOSZ-SFHVURJKSA-N 0 0 336.391 3.309 50 30 EGEARN N#Cc1cccc(N2CCC[C@](CO)(CCOc3ccccc3)C2)n1 ZINC000067695909 453957786 /nfs/dbraw/zinc/95/77/86/453957786.db2.gz UWZVEBZJTPVGJM-FQEVSTJZSA-N 0 0 337.423 3.001 50 30 EGEARN COc1ccc(OC)c(C[C@H](C#N)C(=O)Nc2ccc(F)cc2)c1 ZINC000057524971 454134293 /nfs/dbraw/zinc/13/42/93/454134293.db2.gz FQICCKVARLTAJT-CYBMUJFWSA-N 0 0 328.343 3.164 50 30 EGEARN COc1ccc(NC(=O)[C@@H](C#N)Cc2ccc(OC)cc2OC)cc1 ZINC000057523319 454134685 /nfs/dbraw/zinc/13/46/85/454134685.db2.gz NQPJZAANKPHOPR-CQSZACIVSA-N 0 0 340.379 3.033 50 30 EGEARN N#Cc1c(N)nc(-c2ccc[nH]2)cc1-c1ccc(Cn2cccn2)cc1 ZINC000071639394 454210508 /nfs/dbraw/zinc/21/05/08/454210508.db2.gz MVBOXCIQFCSVTM-UHFFFAOYSA-N 0 0 340.390 3.442 50 30 EGEARN CC(=O)c1cn(CC(=O)Nc2nnc(C(C)C)[nH]2)c2ccccc12 ZINC000095474333 454219694 /nfs/dbraw/zinc/21/96/94/454219694.db2.gz JZLYEKHIMNTPFH-UHFFFAOYSA-N 0 0 325.372 3.374 50 30 EGEARN COCCCN(Cc1ccc(C)cc1)C(=O)Nc1ccc(C#N)nc1 ZINC000096166792 454296931 /nfs/dbraw/zinc/29/69/31/454296931.db2.gz SZIJDMQDHRDUOU-UHFFFAOYSA-N 0 0 338.411 3.332 50 30 EGEARN COc1cccc([C@@H]2CCCN2c2ncnc3c2cnn3CCC#N)c1 ZINC000097199991 454423205 /nfs/dbraw/zinc/42/32/05/454423205.db2.gz XEMKDNBVEQIMMF-KRWDZBQOSA-N 0 0 348.410 3.090 50 30 EGEARN C[C@@H]1CC[C@@]23OC(=N)[C@@](C#N)([C@@H]2C1)C(C#N)(C#N)[C@@H](c1ccccc1)O3 ZINC000169680368 454930176 /nfs/dbraw/zinc/93/01/76/454930176.db2.gz GHTRPRHOWLFKPL-JCRWAUQASA-N 0 0 346.390 3.441 50 30 EGEARN C[C@@]1(O)CC[C@H]2[C@H]3CC[C@]45O[C@@H]4OC(=O)CC[C@]5(C)[C@@H]3CC[C@@]21C ZINC000257356187 455898185 /nfs/dbraw/zinc/89/81/85/455898185.db2.gz GRVLFUXZSFWPQB-VBXJRAJLSA-N 0 0 334.456 3.412 50 30 EGEARN N#C[C@H]1CCCN(C(=O)c2ccc(-c3ccc4c(c3)OCO4)cc2)C1 ZINC000426599757 457860562 /nfs/dbraw/zinc/86/05/62/457860562.db2.gz PBFUVPNMQVUQFJ-CQSZACIVSA-N 0 0 334.375 3.458 50 30 EGEARN N#Cc1cccc(C(=O)NC[C@@H](O)c2ccc(-c3ccco3)cc2)c1 ZINC000585148159 459830420 /nfs/dbraw/zinc/83/04/20/459830420.db2.gz QGRDPMVSHORGFJ-GOSISDBHSA-N 0 0 332.359 3.282 50 30 EGEARN C=CCN(Cc1cccc(OC)c1)C(=O)Cn1nc(C)c(C)c1C ZINC000055401095 518783852 /nfs/dbraw/zinc/78/38/52/518783852.db2.gz YGRLJIROKNBTIK-UHFFFAOYSA-N 0 0 327.428 3.032 50 30 EGEARN C=CCNC(=O)COc1ccccc1-c1noc(-c2ccccc2C)n1 ZINC000033325164 518895699 /nfs/dbraw/zinc/89/56/99/518895699.db2.gz AQWCGVOSPCYQTR-UHFFFAOYSA-N 0 0 349.390 3.393 50 30 EGEARN C=CCn1c(CN(C)C/C(C)=C/C)nnc1SC[C@@H]1CCCO1 ZINC000014999673 519178046 /nfs/dbraw/zinc/17/80/46/519178046.db2.gz ZJSOBHLUMIKGQT-HVJNQHDOSA-N 0 0 336.505 3.133 50 30 EGEARN C=CCn1c(SCc2nc3ccccc3[nH]2)nnc1-c1cnccn1 ZINC000006317563 519246813 /nfs/dbraw/zinc/24/68/13/519246813.db2.gz HENPQDKSUPVSKW-UHFFFAOYSA-N 0 0 349.423 3.090 50 30 EGEARN COC(=O)C1=C(C)NC(=Cc2ccc(OCc3ccccc3)cc2)C1=O ZINC000004094863 522872015 /nfs/dbraw/zinc/87/20/15/522872015.db2.gz BHPFMYPVFBJKEH-LDADJPATSA-N 0 0 349.386 3.226 50 30 EGEARN COC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@@]4(C)C3=CC(=O)[C@@]12C ZINC000254819996 523728490 /nfs/dbraw/zinc/72/84/90/523728490.db2.gz QOBSXMNUZVHPQI-NOOLTXJASA-N 0 0 344.451 3.487 50 30 EGEARN COc1ccc(NC=CC(=O)c2ccc3c(c2)OCO3)cc1OC ZINC000004706702 524378518 /nfs/dbraw/zinc/37/85/18/524378518.db2.gz JSQHBZDOTOUVSJ-BQYQJAHWSA-N 0 0 327.336 3.241 50 30 EGEARN COc1ccccc1OCC#CCNC(=O)Nc1c(F)cccc1F ZINC000090730182 524654930 /nfs/dbraw/zinc/65/49/30/524654930.db2.gz CEVKMCWVJHOEBP-UHFFFAOYSA-N 0 0 346.333 3.177 50 30 EGEARN COc1ccc(NC[C@@H](C#N)C(=O)NCc2ccc(Cl)cc2)cc1 ZINC000000031603 524677018 /nfs/dbraw/zinc/67/70/18/524677018.db2.gz AYJPJHUNIUMUIK-CQSZACIVSA-N 0 0 343.814 3.217 50 30 EGEARN Cc1c(C(=O)ONC(=N)c2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000005073182 525667009 /nfs/dbraw/zinc/66/70/09/525667009.db2.gz WCORIIXIQWZVDI-UHFFFAOYSA-N 0 0 333.731 3.034 50 30 EGEARN Cc1cc(-c2cccc(C(=O)N[C@H]3CCCC[C@@H]3O)c2)nc(C)c1C#N ZINC000584888291 548099009 /nfs/dbraw/zinc/09/90/09/548099009.db2.gz WUDZADUBRXMWLR-ICSRJNTNSA-N 0 0 349.434 3.270 50 30 EGEARN C=CCOc1ccccc1CN(CC)C(=O)C1(Cn2ccnc2)CC1 ZINC000055245062 214294883 /nfs/dbraw/zinc/29/48/83/214294883.db2.gz SAWZIIILPDNMDO-UHFFFAOYSA-N 0 0 339.439 3.277 50 30 EGEARN Cc1ccc(Cl)c2c1NC(=O)[C@]2(O)CC(=O)C=Cc1ccco1 ZINC000004544877 210219747 /nfs/dbraw/zinc/21/97/47/210219747.db2.gz DSKUMVGAJLCADI-RTRPANQVSA-N 0 0 331.755 3.054 50 30 EGEARN CC(=O)Nc1ccc(NC=C2C(C)=NN(c3ccccc3)C2=O)cc1 ZINC000100070299 219090267 /nfs/dbraw/zinc/09/02/67/219090267.db2.gz VDTLKQBTGGNDMW-TYJAPOHBSA-N 0 0 334.379 3.386 50 30 EGEARN COC(=O)c1ccc(NC=C2C(C)=NN(c3ccccc3)C2=O)cc1 ZINC000100280093 219096079 /nfs/dbraw/zinc/09/60/79/219096079.db2.gz UWSSLMUBXJCYBF-XNHPLOEXSA-N 0 0 335.363 3.214 50 30 EGEARN CCOc1ccc([C@H]2NC(=O)C(O)=C2C(=O)c2cccs2)cc1 ZINC000004453201 210194131 /nfs/dbraw/zinc/19/41/31/210194131.db2.gz HUMVRQWOSXJHNU-CQSZACIVSA-N 0 0 329.377 3.013 50 30 EGEARN Cc1ccccc1NC1=C(N2CCOCC2)C(=O)c2ccccc2C1=O ZINC000004140281 210130936 /nfs/dbraw/zinc/13/09/36/210130936.db2.gz SAMGDIXQYSZAJA-UHFFFAOYSA-N 0 0 348.402 3.030 50 30 EGEARN Cc1ccccc1NC(=O)[C@H]1CCCN1/C=C/C(=O)C(F)(F)F ZINC000004119676 210125372 /nfs/dbraw/zinc/12/53/72/210125372.db2.gz MEHHQQRKKPKTMC-AORWBKJGSA-N 0 0 326.318 3.043 50 30 EGEARN CCOC(=O)C(CCCCC#N)(Oc1ccccc1)C(=O)OCC ZINC000044125552 213608862 /nfs/dbraw/zinc/60/88/62/213608862.db2.gz IURIQHBXJWHODS-UHFFFAOYSA-N 0 0 333.384 3.014 50 30 EGEARN CCn1cc(-c2c(C)c([C@H]3CCOC(C)(C)C3)nc(N)c2C#N)cn1 ZINC000067605397 215167631 /nfs/dbraw/zinc/16/76/31/215167631.db2.gz CJSGJYYNQOCRCG-ZDUSSCGKSA-N 0 0 339.443 3.400 50 30 EGEARN C=CCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@@H]1c1cccs1 ZINC000002358015 209844591 /nfs/dbraw/zinc/84/45/91/209844591.db2.gz BHVBNDGKICISCK-CQSZACIVSA-N 0 0 348.449 3.128 50 30 EGEARN N#Cc1c(N)c(C#N)c(-c2cccc(Cl)c2)nc1Br ZINC000078549686 283077007 /nfs/dbraw/zinc/07/70/07/283077007.db2.gz LYBDLYSEDWHUJN-UHFFFAOYSA-N 0 0 333.576 3.490 50 30 EGEARN N#Cc1c2ncn(Cc3ccc(Cl)cc3)c(=O)c2n2c1CCCC2 ZINC000000179123 283082931 /nfs/dbraw/zinc/08/29/31/283082931.db2.gz PKVFTWWFLHZYOV-UHFFFAOYSA-N 0 0 338.798 3.108 50 30 EGEARN N#C[C@H](Cc1cccnc1)C(=O)Nc1ccccc1Br ZINC000000419713 209582393 /nfs/dbraw/zinc/58/23/93/209582393.db2.gz LRYAVBUNBYKZQI-LBPRGKRZSA-N 0 0 330.185 3.165 50 30 EGEARN CCOc1ccc(/C(C)=N/NS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000000369583 209556077 /nfs/dbraw/zinc/55/60/77/209556077.db2.gz WCMJHLSXDQGTOC-NBVRZTHBSA-N 0 0 332.425 3.096 50 30 EGEARN C[C@@H]1CN(c2oc(COc3ccc(Cl)cc3)nc2C#N)C[C@@H](C)O1 ZINC000000108712 209426519 /nfs/dbraw/zinc/42/65/19/209426519.db2.gz LDWGQSSRGZBPHO-VXGBXAGGSA-N 0 0 347.802 3.392 50 30 EGEARN COc1cc(/C=N/c2ccc(NC(C)=O)cc2)cc(OC)c1OC ZINC000000067354 209398241 /nfs/dbraw/zinc/39/82/41/209398241.db2.gz RSEXKHDTWMIFLZ-YBFXNURJSA-N 0 0 328.368 3.421 50 30 EGEARN N#Cc1nc(-c2ccc(Cl)cc2)oc1SCCN1CCOCC1 ZINC000227155262 242122828 /nfs/dbraw/zinc/12/28/28/242122828.db2.gz NDEZROILASRKIS-UHFFFAOYSA-N 0 0 349.843 3.291 50 30 EGEARN COc1c2c(cc3c1[C@@H]([C@@H](C#N)c1ccccc1)N(C)CC3)OCO2 ZINC000020112972 212102934 /nfs/dbraw/zinc/10/29/34/212102934.db2.gz ZFNRSRSOZRYKBW-MAUKXSAKSA-N 0 0 336.391 3.260 50 30 biogenic EGEARN Oc1ccccc1/C=N/N1CCN(Cc2ccccc2Cl)CC1 ZINC000019771348 212063257 /nfs/dbraw/zinc/06/32/57/212063257.db2.gz ARDWODGNHLSJCV-DEDYPNTBSA-N 0 0 329.831 3.197 50 30 EGEARN Cc1c([C@H](C)NC(=O)c2ccc(C#N)nc2)cnn1-c1cccc(F)c1 ZINC000091391045 218000087 /nfs/dbraw/zinc/00/00/87/218000087.db2.gz WSGLMVZOWMHIRL-LBPRGKRZSA-N 0 0 349.369 3.078 50 30 EGEARN CCCCC[C@H](CC)N1CC(=O)C(c2nc3ccccc3[nH]2)=C1N ZINC000011692126 211235188 /nfs/dbraw/zinc/23/51/88/211235188.db2.gz ZATDHOHBRREYOW-ZDUSSCGKSA-N 0 0 326.444 3.434 50 30 EGEARN COC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1cccs1)C2=O ZINC000005163326 210404929 /nfs/dbraw/zinc/40/49/29/210404929.db2.gz RVXVIYMYLNQZND-QNKACBJSSA-N 0 0 330.361 3.305 50 30 EGEARN COc1ccc(CN2C(=O)[C@@H](C)S/C2=N/N=C/c2ccco2)cc1 ZINC000004955818 210339339 /nfs/dbraw/zinc/33/93/39/210339339.db2.gz PIDCDZDAANTFJH-IFUHEKCOSA-N 0 0 343.408 3.142 50 30 EGEARN CC(=O)C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccccc1Cl ZINC000000034823 208553018 /nfs/dbraw/zinc/55/30/18/208553018.db2.gz LLWWBZYVOKZLTM-HNNXBMFYSA-N 0 0 331.755 3.418 50 30 EGEARN C=CCn1c(NC(=O)COc2ccc(OC)cc2)nc2ccccc21 ZINC000004941646 210332492 /nfs/dbraw/zinc/33/24/92/210332492.db2.gz FDNMPISBBVXBFE-UHFFFAOYSA-N 0 0 337.379 3.248 50 30 EGEARN c1nnc2c3ccccc3c(N=NC3CCCc4ccccc43)nn12 ZINC000004880738 210312062 /nfs/dbraw/zinc/31/20/62/210312062.db2.gz WUEKIISPMVILPR-HEHNFIMWSA-N 0 0 328.379 3.430 50 30 EGEARN C=CCN1C(=O)S[C@@H](CC(=O)Nc2cccc3ccccc32)C1=O ZINC000004785177 210278404 /nfs/dbraw/zinc/27/84/04/210278404.db2.gz DMTDWSVAZWBGRH-HNNXBMFYSA-N 0 0 340.404 3.418 50 30 EGEARN C=CCn1c(SCc2cn3ccccc3n2)nnc1-c1ccccn1 ZINC000006699692 258044855 /nfs/dbraw/zinc/04/48/55/258044855.db2.gz ZKQDRBOZCNLCED-UHFFFAOYSA-N 0 0 348.435 3.466 50 30 EGEARN C[C@@H]1S/C(=N\N=C\c2ccco2)N(Cc2ccc(F)cc2)C1=O ZINC000006129737 258051784 /nfs/dbraw/zinc/05/17/84/258051784.db2.gz PUNDVMYMRBBBEF-NOTPJJMNSA-N 0 0 331.372 3.273 50 30 EGEARN OC[C@@](F)([C@@H](F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000095671205 258067305 /nfs/dbraw/zinc/06/73/05/258067305.db2.gz PCGUNVYNJIFBQT-PWNYCUMCSA-N 0 0 332.084 3.420 50 30 EGEARN CCCO[C@@H]1CCCN(C(=O)Nc2ccc(OCC)c(C#N)c2)C1 ZINC000299761390 258077969 /nfs/dbraw/zinc/07/79/69/258077969.db2.gz WAYKBTSVVFNBQO-MRXNPFEDSA-N 0 0 331.416 3.380 50 30 EGEARN N#Cc1cc2[nH]c3ccccc3c2n(-c2ccc([N+](=O)[O-])cc2)c1=N ZINC000100303710 274921383 /nfs/dbraw/zinc/92/13/83/274921383.db2.gz SVNWDFBGXLJHSP-UHFFFAOYSA-N 0 0 329.319 3.371 50 30 EGEARN N#Cc1ccc(N[C@H]2CCCN(c3ccc(C(F)(F)F)cn3)C2)nc1 ZINC000072474880 274925789 /nfs/dbraw/zinc/92/57/89/274925789.db2.gz BFZOYICBUFEIMZ-AWEZNQCLSA-N 0 0 347.344 3.448 50 30 EGEARN CN1c2ccccc2C(=NNc2ccc(Br)cc2)C1=O ZINC000100327121 277217001 /nfs/dbraw/zinc/21/70/01/277217001.db2.gz LZTGVBDAPYXERF-NBVRZTHBSA-N 0 0 330.185 3.242 50 30 EGEARN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1cccs1 ZINC000000379111 277310851 /nfs/dbraw/zinc/31/08/51/277310851.db2.gz CGIFCPGGCIKYJJ-HNNXBMFYSA-N 0 0 337.400 3.490 50 30 EGEARN COC(=O)c1c(NC(=O)c2ccc(C#N)cc2)sc2c1CCC2 ZINC000004194739 277417714 /nfs/dbraw/zinc/41/77/14/277417714.db2.gz ORQRQVOLGNZUKT-UHFFFAOYSA-N 0 0 326.377 3.147 50 30 EGEARN CC1(C)CC(=O)C2C(=Nc3ncnn3[C@@H]2c2ccnc3ccccc32)C1 ZINC000018200897 278184318 /nfs/dbraw/zinc/18/43/18/278184318.db2.gz XXSVDRNZXBXDRG-GOSISDBHSA-N 0 0 345.406 3.484 50 30 EGEARN Cc1nc2sc3c(c2c(NN=C2c4ccccc4NC2=O)n1)CCC3 ZINC000013123299 279145541 /nfs/dbraw/zinc/14/55/41/279145541.db2.gz RHAHLXBWBBZLBX-UHFFFAOYSA-N 0 0 349.419 3.257 50 30 EGEARN CC1=C(C)C(=NOC(=O)c2ccccc2Br)C=CC1=O ZINC000005340548 452860772 /nfs/dbraw/zinc/86/07/72/452860772.db2.gz FRWODXDBRNXPNF-GHRIWEEISA-N 0 0 334.169 3.437 50 30 EGEARN CCN(CC)C1=C(n2nnc3ccccc32)C(=O)c2ccccc2C1=O ZINC000000033641 452493911 /nfs/dbraw/zinc/49/39/11/452493911.db2.gz OQDAMAITBCVWCU-UHFFFAOYSA-N 0 0 346.390 3.021 50 30 EGEARN CC(O)=C1C(=O)C(=O)N(c2ccccn2)[C@H]1c1ccc(Cl)cc1 ZINC000000283365 452553767 /nfs/dbraw/zinc/55/37/67/452553767.db2.gz YEURINGIJKHIBZ-HNNXBMFYSA-N 0 0 328.755 3.224 50 30 EGEARN O=C1Nc2ccc(Br)cc2/C1=N\N=C\c1ccccc1 ZINC000000364380 452571873 /nfs/dbraw/zinc/57/18/73/452571873.db2.gz WXZGHQNLTWHXQU-RQZCQDPDSA-N 0 0 328.169 3.224 50 30 EGEARN COc1ccc(Cn2c(N)c(C#N)c3nc4ccccc4nc32)cc1 ZINC000000390235 452578347 /nfs/dbraw/zinc/57/83/47/452578347.db2.gz BPUDGWCIWMDOJT-UHFFFAOYSA-N 0 0 329.363 3.095 50 30 EGEARN COC(=O)C1=C(Nc2ccccc2)SC(=Cc2ccccn2)C1=O ZINC000000460098 452599593 /nfs/dbraw/zinc/59/95/93/452599593.db2.gz XKNAMBCKHQCSQL-SDNWHVSQSA-N 0 0 338.388 3.235 50 30 EGEARN N#Cc1c(-c2ccccc2F)cc(C2CC2)nc1SCC(N)=O ZINC000000495669 452607434 /nfs/dbraw/zinc/60/74/34/452607434.db2.gz QMFNPNGWOTVACP-UHFFFAOYSA-N 0 0 327.384 3.214 50 30 EGEARN C=C(C)CN1c2ccccc2[C@](O)(CC(=O)c2ccc(C)cc2)C1=O ZINC000001320635 452653569 /nfs/dbraw/zinc/65/35/69/452653569.db2.gz XFHPGHQCPRSYQC-OAQYLSRUSA-N 0 0 335.403 3.378 50 30 EGEARN Oc1ccc(C=NN2C(=S)N=NC2c2ccc(Cl)cc2)c(O)c1 ZINC000001306850 452653603 /nfs/dbraw/zinc/65/36/03/452653603.db2.gz PKIQGRJZAFBQMT-CAOOACKPSA-N 0 0 346.799 3.181 50 30 EGEARN COc1cccc([C@H]2CC(=O)N(N(C)C)C3=C2C(=O)CC(C)(C)C3)c1 ZINC000001427540 452664077 /nfs/dbraw/zinc/66/40/77/452664077.db2.gz SCSUNDHWZPQLIK-OAHLLOKOSA-N 0 0 342.439 3.131 50 30 EGEARN CCCCCCN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1ccc2c(c1)OCO2 ZINC000002462592 452700642 /nfs/dbraw/zinc/70/06/42/452700642.db2.gz QSSRFIRPIYTBRR-KRWDZBQOSA-N 0 0 345.395 3.280 50 30 EGEARN C#CCSc1nc(-c2ccccc2)n(C(=O)c2cccs2)n1 ZINC000002571091 452704585 /nfs/dbraw/zinc/70/45/85/452704585.db2.gz ZAOIVHKLZDTZIK-UHFFFAOYSA-N 0 0 325.418 3.420 50 30 EGEARN C=CCNC(=O)c1ccc(COc2c(F)c(F)cc(F)c2F)o1 ZINC000002791915 452724007 /nfs/dbraw/zinc/72/40/07/452724007.db2.gz ZFIPZSHPFVUFEI-UHFFFAOYSA-N 0 0 329.249 3.331 50 30 EGEARN COc1cccc(/C=C2\S/C(=N\c3ccccc3O)NC2=O)c1 ZINC000005661973 452892203 /nfs/dbraw/zinc/89/22/03/452892203.db2.gz VEPCMXXGSQOYEO-GDNBJRDFSA-N 0 0 326.377 3.292 50 30 EGEARN Cc1cccc(/N=C2/NC(=O)[C@@H](Cc3cccc([N+](=O)[O-])c3)S2)c1 ZINC000005784583 452902484 /nfs/dbraw/zinc/90/24/84/452902484.db2.gz JQEYDMDMXFJSMF-OAHLLOKOSA-N 0 0 341.392 3.365 50 30 EGEARN C=C(C)[C@H](O)COc1ccc2c(OC)c3ccoc3nc2c1OC ZINC000005853670 452905790 /nfs/dbraw/zinc/90/57/90/452905790.db2.gz LNJTUUHDKCPQAA-CYBMUJFWSA-N 0 0 329.352 3.314 50 30 biogenic,in-vitro EGEARN Cc1c(NC=CC(=O)c2cccs2)c(=O)n(-c2ccccc2)n1C ZINC000006552934 452953745 /nfs/dbraw/zinc/95/37/45/452953745.db2.gz NCTDXIOCZWYPKG-ZHACJKMWSA-N 0 0 339.420 3.354 50 30 EGEARN CC1(C)Cc2c(C#N)c(NC(=O)NCc3ccncc3)sc2CO1 ZINC000006672208 452967051 /nfs/dbraw/zinc/96/70/51/452967051.db2.gz XSRLGORWJNYKTB-UHFFFAOYSA-N 0 0 342.424 3.188 50 30 EGEARN CSc1nc(NCCO)c(C#N)c(-c2ccc(C(C)(C)C)cc2)n1 ZINC000007995294 453147048 /nfs/dbraw/zinc/14/70/48/453147048.db2.gz RAEFFHIRLOZNRZ-UHFFFAOYSA-N 0 0 342.468 3.439 50 30 EGEARN COc1ccc(C(=O)C=CNc2ccc3c(c2)OCO3)cc1OC ZINC000013381917 453460708 /nfs/dbraw/zinc/46/07/08/453460708.db2.gz RFHCRAKOXLLWSR-FPLPWBNLSA-N 0 0 327.336 3.241 50 30 EGEARN COc1ccc(CN2C(=O)CS/C2=N\N=C\c2cccs2)cc1 ZINC000013562955 453470244 /nfs/dbraw/zinc/47/02/44/453470244.db2.gz CMCDKTVQCJHNCD-RGJFUNKGSA-N 0 0 345.449 3.222 50 30 EGEARN NC(=S)N/N=C/c1ccc(-c2ccc(SC(F)F)cc2)o1 ZINC000013635489 453476163 /nfs/dbraw/zinc/47/61/63/453476163.db2.gz NQVIVKASMXXLDN-REZTVBANSA-N 0 0 327.381 3.428 50 30 EGEARN C=CCN1C(=O)S/C(=C\c2cc(Cl)cc(OC)c2O)C1=O ZINC000013881378 453491257 /nfs/dbraw/zinc/49/12/57/453491257.db2.gz HBSWTWXEPSMTIP-WDZFZDKYSA-N 0 0 325.773 3.277 50 30 EGEARN C=CCN1C(=O)/C(=C/c2ccc(OC)c(OC(C)=O)c2)SC1=S ZINC000015016518 453551360 /nfs/dbraw/zinc/55/13/60/453551360.db2.gz BVLXSOPCIIIKQG-ZROIWOOFSA-N 0 0 349.433 3.008 50 30 EGEARN CCCCc1c(C)nc(NN=C(C)c2cccc([N+](=O)[O-])c2)[nH]c1=O ZINC000016512855 453610752 /nfs/dbraw/zinc/61/07/52/453610752.db2.gz LOQGXSWPQRLDIW-RGVLZGJSSA-N 0 0 343.387 3.165 50 30 EGEARN O=C1CCCC2=Nc3nnnn3[C@H](c3ccc(Cl)c(Cl)c3)C12 ZINC000018196055 453647759 /nfs/dbraw/zinc/64/77/59/453647759.db2.gz FHVBLRRUURICFQ-CYBMUJFWSA-N 0 0 336.182 3.002 50 30 EGEARN CC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000018211507 453648802 /nfs/dbraw/zinc/64/88/02/453648802.db2.gz PSBKHHYXUCSULZ-MRXNPFEDSA-N 0 0 341.323 3.072 50 30 EGEARN COC(=O)CSc1nc(N2CCCCC2)c2c(c1C#N)CCCC2 ZINC000019799420 453660078 /nfs/dbraw/zinc/66/00/78/453660078.db2.gz GKNOEJHEOCUKOQ-UHFFFAOYSA-N 0 0 345.468 3.087 50 30 EGEARN CO/N=C(/CN1CCN(c2ccccc2F)CC1)c1ccc(F)cc1 ZINC000020389748 453664907 /nfs/dbraw/zinc/66/49/07/453664907.db2.gz SCOKCLHDACHVAZ-PYCFMQQDSA-N 0 0 345.393 3.138 50 30 EGEARN CCCn1cc(-c2cc(-c3nc(CC)[nH]c3C)c(C#N)c(N)n2)c(C)n1 ZINC000071499220 454207166 /nfs/dbraw/zinc/20/71/66/454207166.db2.gz HZMOLRPKAQNQQG-UHFFFAOYSA-N 0 0 349.442 3.378 50 30 EGEARN COc1cc2ccccc2cc1/C=N/NS(=O)(=O)c1ccccc1 ZINC000096191674 454300931 /nfs/dbraw/zinc/30/09/31/454300931.db2.gz PRJXSSXDYMWLBF-CPNJWEJPSA-N 0 0 340.404 3.161 50 30 EGEARN COc1ccccc1OCC#CCNC(=O)c1ccccc1Cl ZINC000090610359 454327563 /nfs/dbraw/zinc/32/75/63/454327563.db2.gz VCVUDLUPAIKIHC-UHFFFAOYSA-N 0 0 329.783 3.161 50 30 EGEARN Cc1cc(C)c(C(=O)N(CC#Cc2ccccc2)C2CCCC2)c(=O)[nH]1 ZINC000065406195 454561315 /nfs/dbraw/zinc/56/13/15/454561315.db2.gz YGWIWTKLUFZRRQ-UHFFFAOYSA-N 0 0 348.446 3.428 50 30 EGEARN Cc1csc([C@H]2CN(CCCOc3ccc(C#N)cc3)CCO2)n1 ZINC000065473903 454572277 /nfs/dbraw/zinc/57/22/77/454572277.db2.gz KIKQMXXYZQFEFF-QGZVFWFLSA-N 0 0 343.452 3.166 50 30 EGEARN CC(=O)[C@@H]1CC(=O)[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC(=O)[C@@]12C ZINC000254393682 455855426 /nfs/dbraw/zinc/85/54/26/455855426.db2.gz QQFLSXLNHSKYDE-IPSAEJOYSA-N 0 0 342.435 3.082 50 30 EGEARN C#CCOc1cc(C(=O)N[C@H](CC)c2cc(C)ccn2)ccc1OC ZINC000534631823 459338892 /nfs/dbraw/zinc/33/88/92/459338892.db2.gz LLBHTEYCWKDANS-MRXNPFEDSA-N 0 0 338.407 3.292 50 30 EGEARN Cc1nn(CCNC(=O)c2cccc(C#N)c2)c(C)c1-c1ccco1 ZINC000575615283 459985360 /nfs/dbraw/zinc/98/53/60/459985360.db2.gz NHXHSASCNSNHBB-UHFFFAOYSA-N 0 0 334.379 3.062 50 30 EGEARN C=C(C)CN(CC)C(=O)c1cc(Cn2c(C)nc3ccccc32)on1 ZINC000012448835 518597064 /nfs/dbraw/zinc/59/70/64/518597064.db2.gz RSDDDGBJTDVSEC-UHFFFAOYSA-N 0 0 338.411 3.419 50 30 EGEARN C=C(C)COc1c(CN[C@H](C)c2ncnn2CC)cccc1OC ZINC000055109081 518610830 /nfs/dbraw/zinc/61/08/30/518610830.db2.gz BEPCHNFSIWZVQK-CQSZACIVSA-N 0 0 330.432 3.112 50 30 EGEARN CCN(CC)c1ccc(C=[NH+][N-]c2ccc([N+](=O)[O-])cn2)c(OC)c1 ZINC000015685705 520885423 /nfs/dbraw/zinc/88/54/23/520885423.db2.gz LFTSCURAEKHGAB-ODLFYWEKSA-N 0 0 343.387 3.291 50 30 EGEARN CC[C@@H](Oc1ccccc1)C(=O)ONC(=N)c1ccc(Cl)cc1 ZINC000004986155 523057650 /nfs/dbraw/zinc/05/76/50/523057650.db2.gz DXPGXQMYLVFOBN-OAHLLOKOSA-N 0 0 332.787 3.361 50 30 EGEARN O=c1oc2ccccc2cc1-c1csc(N=NCc2ccco2)n1 ZINC000003898066 527498929 /nfs/dbraw/zinc/49/89/29/527498929.db2.gz VLTUMZDAPJAKRL-GIJQJNRQSA-N 0 0 337.360 3.377 50 30 EGEARN N#Cc1cccc(NC(=O)NCCOc2cccc3cccnc32)c1 ZINC000244403966 1296301067 /nfs/dbraw/zinc/30/10/67/1296301067.db2.gz YLYOTSVKAUUUEW-UHFFFAOYSA-N 0 0 332.363 3.307 50 30 EGEARN O=c1c2[nH]c3ccccc3c2ncn1N=Cc1c[nH]c2ccccc12 ZINC000254752486 1296476399 /nfs/dbraw/zinc/47/63/99/1296476399.db2.gz MUEOPMGWLIWVAP-UHFFFAOYSA-N 0 0 327.347 3.241 50 30 EGEARN OCC#Cc1csc(CN(Cc2ccco2)Cc2ccccn2)c1 ZINC000952973432 1334627957 /nfs/dbraw/zinc/62/79/57/1334627957.db2.gz HCVRALQOFWJIES-UHFFFAOYSA-N 0 0 338.432 3.282 50 30 EGEARN C=CCn1c([C@@H](NC(=O)c2ccc(OC)cc2)C(C)C)n[nH]c1=S ZINC000004739088 210264577 /nfs/dbraw/zinc/26/45/77/210264577.db2.gz ZWRZVLRVOBOHHW-AWEZNQCLSA-N 0 0 346.456 3.262 50 30 EGEARN N#Cc1ccccc1-c1ccc(C=NN2C(=O)CSC2=S)o1 ZINC000004698740 210252182 /nfs/dbraw/zinc/25/21/82/210252182.db2.gz ZRXCBNVYOSYKST-IUXPMGMMSA-N 0 0 327.390 3.012 50 30 EGEARN CCCN(CC#Cc1ccccc1)C(=O)c1c(Cl)cnn1CC ZINC000055090638 214271967 /nfs/dbraw/zinc/27/19/67/214271967.db2.gz XIMBOETXGWDOPA-UHFFFAOYSA-N 0 0 329.831 3.460 50 30 EGEARN C=CCN(CC#Cc1ccccc1)Cc1cccn1-c1ncccn1 ZINC000055393089 214316954 /nfs/dbraw/zinc/31/69/54/214316954.db2.gz IKHXJQBBFJVGLX-UHFFFAOYSA-N 0 0 328.419 3.307 50 30 EGEARN CCCCN1C(=O)[C@](O)(CC(=O)C=Cc2ccco2)c2ccccc21 ZINC000004554895 210221132 /nfs/dbraw/zinc/22/11/32/210221132.db2.gz IWEIAQWFMZBBRF-CFGKVWFZSA-N 0 0 339.391 3.287 50 30 EGEARN CCc1nc2scc(-c3ccccc3)c2c(=O)n1/N=C/N(C)C ZINC000004071369 210113448 /nfs/dbraw/zinc/11/34/48/210113448.db2.gz ZHTAOPFEESBOIJ-WOJGMQOQSA-N 0 0 326.425 3.040 50 30 EGEARN O=C([C@@H](c1ccccc1F)N1CC[C@H]2SC(=O)C=C2C1)C1CC1 ZINC000040442723 213303645 /nfs/dbraw/zinc/30/36/45/213303645.db2.gz MJAMUSZUMAHFLH-NVXWUHKLSA-N 0 0 331.412 3.120 50 30 EGEARN CC(C)(C#N)NC(=O)C(=O)c1c(-c2ccccc2)cc2ccccn21 ZINC000001774891 209792191 /nfs/dbraw/zinc/79/21/91/209792191.db2.gz CINGXKHGZFMCNT-UHFFFAOYSA-N 0 0 331.375 3.207 50 30 EGEARN CN(C)N1C(=O)C[C@@H](c2ccc(F)cc2)C2=C1CC(C)(C)CC2=O ZINC000001422749 209744484 /nfs/dbraw/zinc/74/44/84/209744484.db2.gz HTAQDNHNVLILJM-AWEZNQCLSA-N 0 0 330.403 3.261 50 30 EGEARN N#Cc1cnn2c1nc(-c1ccc3c(c1)OCCO3)cc2C(F)(F)F ZINC000002743762 283245988 /nfs/dbraw/zinc/24/59/88/283245988.db2.gz IAGIHKCISVXZJI-UHFFFAOYSA-N 0 0 346.268 3.058 50 30 EGEARN COc1ccc(-c2c(C#N)c(N)nc3c2CCCC3)c(OC)c1OC ZINC000035298931 213018494 /nfs/dbraw/zinc/01/84/94/213018494.db2.gz ZINXQOBUHIPKGO-UHFFFAOYSA-N 0 0 339.395 3.107 50 30 EGEARN CCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccccc1Cl ZINC000000289872 209519814 /nfs/dbraw/zinc/51/98/14/209519814.db2.gz KNTWGJYREMHVJQ-CQSZACIVSA-N 0 0 347.798 3.194 50 30 EGEARN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N(CC#N)CC#N ZINC000000196265 209478386 /nfs/dbraw/zinc/47/83/86/209478386.db2.gz ZBBWBNVKMTZZRQ-UHFFFAOYSA-N 0 0 349.177 3.446 50 30 EGEARN Cc1cccc2c(C(=O)N3CCC(C#N)CC3)cc(-c3cn[nH]c3)nc12 ZINC000023581490 212382981 /nfs/dbraw/zinc/38/29/81/212382981.db2.gz IUYKPZKWLNBFCW-UHFFFAOYSA-N 0 0 345.406 3.309 50 30 EGEARN CCNC(=O)O/N=C(\C)c1ncc(C(F)(F)F)cc1N1CCCC1 ZINC000012338538 211353127 /nfs/dbraw/zinc/35/31/27/211353127.db2.gz NBVMPALYSXUHDW-UFFVCSGVSA-N 0 0 344.337 3.171 50 30 EGEARN CC(C)S(=O)(=O)c1ccc(C(=O)Nc2sccc2C#N)cc1 ZINC000010253678 211156817 /nfs/dbraw/zinc/15/68/17/211156817.db2.gz NZIYAAFLDMELHO-UHFFFAOYSA-N 0 0 334.422 3.054 50 30 EGEARN N#Cc1c(N)c(C(=O)c2cccc(Br)c2)n2ccccc12 ZINC000008844903 211010355 /nfs/dbraw/zinc/01/03/55/211010355.db2.gz JZTSTWVLCGTPLF-UHFFFAOYSA-N 0 0 340.180 3.387 50 30 EGEARN O=C1C[C@H](c2ccc(F)c(Br)c2)C2=C(CCCC2=O)N1 ZINC000004035136 296349445 /nfs/dbraw/zinc/34/94/45/296349445.db2.gz MTZZTRDCNCCHMR-SECBINFHSA-N 0 0 338.176 3.199 50 30 EGEARN C=CCN(c1ccc(C(=O)Nc2cccc(F)c2)cc1)S(C)(=O)=O ZINC000005051142 210375692 /nfs/dbraw/zinc/37/56/92/210375692.db2.gz ZSTJZIOXVWLBJF-UHFFFAOYSA-N 0 0 348.399 3.030 50 30 EGEARN Cc1cc(O)ccc1N1CC(=O)C(c2nc3ccccc3s2)=C1N ZINC000005009234 210360879 /nfs/dbraw/zinc/36/08/79/210360879.db2.gz SQAPTAUACFWVFL-UHFFFAOYSA-N 0 0 337.404 3.027 50 30 EGEARN CCCCCCN1C(=O)C(O)=C(C(C)=O)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000004853383 210300221 /nfs/dbraw/zinc/30/02/21/210300221.db2.gz KBDYMVJKPZEWRG-MRXNPFEDSA-N 0 0 346.383 3.460 50 30 EGEARN COC(=O)c1c(/N=C/c2cccc(C)c2O)sc2c1CCN(C)C2 ZINC000004859738 210304663 /nfs/dbraw/zinc/30/46/63/210304663.db2.gz CIEYJKJMSHVCQZ-DJKKODMXSA-N 0 0 344.436 3.287 50 30 EGEARN O=C1c2ccccc2C(=O)N1CC#Cc1ccc(Br)cc1 ZINC000000392814 296439538 /nfs/dbraw/zinc/43/95/38/296439538.db2.gz OJUGHUYXBRNKGN-UHFFFAOYSA-N 0 0 340.176 3.097 50 30 EGEARN Cc1cc(C)c(C#N)c(SCC(=O)Nc2ccc(CC#N)cc2)n1 ZINC000000105111 258047566 /nfs/dbraw/zinc/04/75/66/258047566.db2.gz DGBFLAGRXWMMMH-UHFFFAOYSA-N 0 0 336.420 3.367 50 30 EGEARN C#CCOc1ccc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)cc1 ZINC000002179421 258017315 /nfs/dbraw/zinc/01/73/15/258017315.db2.gz AVAJIZKOIHMOCE-CPNJWEJPSA-N 0 0 346.386 3.100 50 30 EGEARN CCCCOc1ccc(/C=N\NS(=O)(=O)c2ccccc2)cc1 ZINC000032561924 258058625 /nfs/dbraw/zinc/05/86/25/258058625.db2.gz GARKNZMXLWQCII-JXAWBTAJSA-N 0 0 332.425 3.178 50 30 EGEARN CCCO[C@H]1CCCN(C(=O)Nc2ccc(OCC)c(C#N)c2)C1 ZINC000299761388 258077676 /nfs/dbraw/zinc/07/76/76/258077676.db2.gz WAYKBTSVVFNBQO-INIZCTEOSA-N 0 0 331.416 3.380 50 30 EGEARN N#Cc1nc(-c2cccnc2)oc1N1CCN(c2ccc(F)cc2)CC1 ZINC000035672196 132390263 /nfs/dbraw/zinc/39/02/63/132390263.db2.gz XSEIMNIWZLPATJ-UHFFFAOYSA-N 0 0 349.369 3.074 50 30 EGEARN C[C@@H]1CC[C@@]23OC(=N)[C@@](C#N)([C@H]2C1)C(C#N)(C#N)[C@H](c1ccccc1)O3 ZINC000252469991 296669283 /nfs/dbraw/zinc/66/92/83/296669283.db2.gz GHTRPRHOWLFKPL-PALCPLIKSA-N 0 0 346.390 3.441 50 30 EGEARN CNC(=S)NN=Cc1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 ZINC000013555494 275409732 /nfs/dbraw/zinc/40/97/32/275409732.db2.gz GDULYWQJTPDQKS-FRKPEAEDSA-N 0 0 338.776 3.347 50 30 EGEARN CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1cccnc1 ZINC000101163297 276274013 /nfs/dbraw/zinc/27/40/13/276274013.db2.gz WJPKBMAABYJLFS-KRWDZBQOSA-N 0 0 346.386 3.213 50 30 EGEARN CCOc1ccc(-n2c(N)c(C#N)c3nc4ccccc4nc32)cc1 ZINC000000143608 276371847 /nfs/dbraw/zinc/37/18/47/276371847.db2.gz PYWRCSFSIPRRSJ-UHFFFAOYSA-N 0 0 329.363 3.426 50 30 EGEARN C=CCN1C(=O)[C@H]2[C@H](C1=O)C1(C)c3ccccc3C2c2ccccc21 ZINC000000233538 277856567 /nfs/dbraw/zinc/85/65/67/277856567.db2.gz YITKMVZUCLEHOZ-IDPGXWOASA-N 0 0 329.399 3.239 50 30 EGEARN COc1ccc(-n2c(N)c(C#N)c3nc4ccccc4nc32)cc1OC ZINC000000390237 277865690 /nfs/dbraw/zinc/86/56/90/277865690.db2.gz YGGXAOJWSUCASV-UHFFFAOYSA-N 0 0 345.362 3.045 50 30 EGEARN COc1ccc2c(c1)/C(=N\N=C1/C[C@@H](c3ccccc3)N=N1)C(=O)N2 ZINC000013942684 277942477 /nfs/dbraw/zinc/94/24/77/277942477.db2.gz PKMAPPYQFOSCJQ-QIIGAIICSA-N 0 0 333.351 3.347 50 30 EGEARN Cc1ccc2[nH]c(C3=C(N)N(c4ccc(C)c(C)c4)CC3=O)nc2c1 ZINC000008844103 281152799 /nfs/dbraw/zinc/15/27/99/281152799.db2.gz WDSFDEMJJFJMQE-UHFFFAOYSA-N 0 0 332.407 3.205 50 30 EGEARN COc1ccc([C@H]2CC(=O)OC3=C2C(=O)CC(C)(C)C3)c(OC)c1 ZINC000001422965 295247207 /nfs/dbraw/zinc/24/72/07/295247207.db2.gz FGYLHHMTHKKCAT-CYBMUJFWSA-N 0 0 330.380 3.378 50 30 biogenic EGEARN COC1CCN(c2ccc(C(=O)Nc3ccc(C#N)cc3)cc2)CC1 ZINC000239808066 455262722 /nfs/dbraw/zinc/26/27/22/455262722.db2.gz KFQFRXMQXSCYIO-UHFFFAOYSA-N 0 0 335.407 3.426 50 30 EGEARN COc1cccc(N2CC(=O)C(c3nc4ccccc4s3)=C2N)c1 ZINC000000132194 452515938 /nfs/dbraw/zinc/51/59/38/452515938.db2.gz FODBPWAVAOEAAD-UHFFFAOYSA-N 0 0 337.404 3.022 50 30 EGEARN CCOc1ccc([C@@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)CCC3)cc1 ZINC000000203883 452535086 /nfs/dbraw/zinc/53/50/86/452535086.db2.gz PPJJSKRJCDDVGJ-GOSISDBHSA-N 0 0 341.407 3.226 50 30 EGEARN CCOC(=O)c1c(N)c(C#N)c(C)n1-c1ccc(Br)cc1 ZINC000000237372 452544184 /nfs/dbraw/zinc/54/41/84/452544184.db2.gz LEWJTAGJSRHAMP-UHFFFAOYSA-N 0 0 348.200 3.179 50 30 EGEARN N#CC(C#N)=c1ccc2c(c1)N1C3=C(CCCC3)C[C@@H]3CCCC[C@]31N=2 ZINC000000494032 452607790 /nfs/dbraw/zinc/60/77/90/452607790.db2.gz JFTMWZCGZPOWHG-PGRDOPGGSA-N 0 0 342.446 3.442 50 30 EGEARN C=CCSc1nnc(-c2nnc(SCC=C)n2CC)n1CC ZINC000002701970 452714488 /nfs/dbraw/zinc/71/44/88/452714488.db2.gz OTUFHJMITYXLMJ-UHFFFAOYSA-N 0 0 336.490 3.133 50 30 EGEARN COC(=O)c1sc(NC(=O)CCc2ccccc2)c(C#N)c1C ZINC000002741658 452719135 /nfs/dbraw/zinc/71/91/35/452719135.db2.gz UYPQZURNFDMKTH-UHFFFAOYSA-N 0 0 328.393 3.286 50 30 EGEARN CN(C)c1ccc(/C=N/N=C2/SCC(=O)N2c2ccccc2)cc1 ZINC000003147158 452745737 /nfs/dbraw/zinc/74/57/37/452745737.db2.gz XXZMPASFZVKJTK-WMNPJARVSA-N 0 0 338.436 3.223 50 30 EGEARN Cc1ccc(-c2n[nH]cc2C=Nn2c(C)nc3ccccc3c2=O)cc1 ZINC000004311358 452799236 /nfs/dbraw/zinc/79/92/36/452799236.db2.gz CEXFNDZVSGGKHD-WSDLNYQXSA-N 0 0 343.390 3.286 50 30 EGEARN CSc1nc2n(n1)[C@H](c1ccccc1C)C1C(=O)CCCC1=N2 ZINC000004436107 452804451 /nfs/dbraw/zinc/80/44/51/452804451.db2.gz HZHLDOLHJZZZKH-OAHLLOKOSA-N 0 0 326.425 3.330 50 30 EGEARN N#Cc1ccsc1NC(=O)c1ccc(OC[C@@H]2CCCO2)cc1 ZINC000006509473 452948556 /nfs/dbraw/zinc/94/85/56/452948556.db2.gz LIAZQEYCYPPDGK-HNNXBMFYSA-N 0 0 328.393 3.430 50 30 EGEARN COc1ccc(NC(=O)CSc2ncccc2C#N)cc1Cl ZINC000007051484 453023897 /nfs/dbraw/zinc/02/38/97/453023897.db2.gz QSGILEHIADVHSK-UHFFFAOYSA-N 0 0 333.800 3.346 50 30 EGEARN N#Cc1ccccc1NC(=O)c1ccc(=O)n(Cc2cccc(F)c2)c1 ZINC000007573822 453088258 /nfs/dbraw/zinc/08/82/58/453088258.db2.gz IMMUSUKSSGKIOO-UHFFFAOYSA-N 0 0 347.349 3.160 50 30 EGEARN Cc1cc(F)ccc1CN1CC(=O)N(c2ccc(C#N)cc2)C[C@H]1C ZINC000082121537 453925349 /nfs/dbraw/zinc/92/53/49/453925349.db2.gz IHGQYHHYJXCDTG-OAHLLOKOSA-N 0 0 337.398 3.243 50 30 EGEARN N#Cc1ccc(N2CCC[C@](CO)(CCOc3ccccc3)C2)nc1 ZINC000067756654 453963633 /nfs/dbraw/zinc/96/36/33/453963633.db2.gz FPJMPTRUAJOFBP-FQEVSTJZSA-N 0 0 337.423 3.001 50 30 EGEARN Cc1ccc(S(=O)(=O)OC[C@]2(C)C(=O)C[C@@]3(C(C)C)C[C@H]32)cc1 ZINC000043198832 454048000 /nfs/dbraw/zinc/04/80/00/454048000.db2.gz KAYDIWFMEXYNLW-RYQLBKOJSA-N 0 0 336.453 3.342 50 30 EGEARN N#Cc1cccc(C(=O)NC[C@@H](O)c2ccc(C(F)(F)F)cc2)c1 ZINC000070639888 454170003 /nfs/dbraw/zinc/17/00/03/454170003.db2.gz LBVNVMBKUXKEGV-OAHLLOKOSA-N 0 0 334.297 3.040 50 30 EGEARN COc1ccc(-c2cc(-c3cc(C(C)(C)C)[nH]n3)c(C#N)c(N)n2)cn1 ZINC000071754572 454214341 /nfs/dbraw/zinc/21/43/41/454214341.db2.gz OZEHSCFGOXSRFZ-UHFFFAOYSA-N 0 0 348.410 3.294 50 30 EGEARN Cc1cc(O)ccc1-c1cc(-c2ccc(N(C)C)nc2)c(C#N)c(N)n1 ZINC000071763107 454215835 /nfs/dbraw/zinc/21/58/35/454215835.db2.gz WIJJAPXIHFGFLH-UHFFFAOYSA-N 0 0 345.406 3.345 50 30 EGEARN Cc1ccc([C@H]2C(C(N)=S)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000100684230 454466919 /nfs/dbraw/zinc/46/69/19/454466919.db2.gz CJKSMIXGEGEQGJ-CQSZACIVSA-N 0 0 342.464 3.208 50 30 EGEARN CC(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccc(Cl)cc1 ZINC000102432823 454505152 /nfs/dbraw/zinc/50/51/52/454505152.db2.gz IJCDYURUMCVGDX-RBFDBLARSA-N 0 0 342.782 3.220 50 30 EGEARN N#Cc1nc(-c2cccs2)oc1S(=O)(=O)Cc1ccccc1 ZINC000170623874 454943843 /nfs/dbraw/zinc/94/38/43/454943843.db2.gz WTLRAXSBPMCNNQ-UHFFFAOYSA-N 0 0 330.390 3.249 50 30 EGEARN [N-]=[N+]=Nc1cc([N+](=O)[O-])cc2c1C(=O)N(Cc1ccccc1)[S@]2=O ZINC000245257021 455281565 /nfs/dbraw/zinc/28/15/65/455281565.db2.gz VTERQTXNYMKNAR-DEOSSOPVSA-N 0 0 343.324 3.215 50 30 EGEARN N#CC1CCN(C(=O)CO[C@H](c2ccccc2)C(F)(F)F)CC1 ZINC000222673373 456049843 /nfs/dbraw/zinc/04/98/43/456049843.db2.gz CVBBBFXXNBTOFL-OAHLLOKOSA-N 0 0 326.318 3.069 50 30 EGEARN C=CCNc1ccccc1C(=O)N(C)Cc1nc(CC(C)C)no1 ZINC000055568858 518960407 /nfs/dbraw/zinc/96/04/07/518960407.db2.gz RIMYGKIKIJYNKS-UHFFFAOYSA-N 0 0 328.416 3.138 50 30 EGEARN C=CCn1c2ccc(Cl)cc2s/c1=N\C(=O)CSC(C)=O ZINC000004231730 519262553 /nfs/dbraw/zinc/26/25/53/519262553.db2.gz QZXPDAPOMOUDLO-PEZBUJJGSA-N 0 0 340.857 3.249 50 30 EGEARN CCCOc1ccc(C=NN2C(=S)N=NC2c2ccccn2)cc1 ZINC000005892797 520324116 /nfs/dbraw/zinc/32/41/16/520324116.db2.gz LBATXJYZNSGIKH-XDHOZWIPSA-N 0 0 339.424 3.300 50 30 EGEARN CCCCc1ccc(S(=O)(=O)N/N=C(/C)c2ccncc2)cc1 ZINC000015934442 521286567 /nfs/dbraw/zinc/28/65/67/521286567.db2.gz QETFHSQIQVLPNO-RGEXLXHISA-N 0 0 331.441 3.127 50 30 EGEARN Cc1cccc(OCC(=O)ONC(=N)c2ccccc2Cl)c1C ZINC000005065406 524722501 /nfs/dbraw/zinc/72/25/01/524722501.db2.gz HZLLLERKMCDMGM-UHFFFAOYSA-N 0 0 332.787 3.199 50 30 EGEARN C[C@H](C/N=C/c1ccc2c(c1)OCO2)/N=C/c1ccc2c(c1)OCO2 ZINC000004980853 526195384 /nfs/dbraw/zinc/19/53/84/526195384.db2.gz NLRMZZTTXIWARR-CLNLMDRESA-N 0 0 338.363 3.071 50 30 EGEARN CCC/C(=N\OCC)[C@H]1C(=O)CC(C)(C)[C@H](c2cc(C)no2)C1=O ZINC000102909761 1292985695 /nfs/dbraw/zinc/98/56/95/1292985695.db2.gz PRMMBWKGPFIKKP-AHQHQLSQSA-N 0 0 334.416 3.444 50 30 EGEARN CC(C)(O)C#Cc1ccc(C(=O)N2CC[C@H]2c2ccc(F)cc2)o1 ZINC000952986925 1334631594 /nfs/dbraw/zinc/63/15/94/1334631594.db2.gz GYOHUNCMUVWCJS-INIZCTEOSA-N 0 0 327.355 3.128 50 30 EGEARN CCCCCCCCNC(=O)N1CC(=O)N[C@@H](Cc2ccccc2)C1 ZINC001772708597 1441417112 /nfs/dbraw/zinc/41/71/12/1441417112.db2.gz FIJGNNGEMSWGJQ-SFHVURJKSA-N 0 0 345.487 3.100 50 30 EGEARN N#Cc1cc2c(nc1N1CCC(c3cc[nH]c(=O)c3)CC1)CCCC2 ZINC001772819833 1441417784 /nfs/dbraw/zinc/41/77/84/1441417784.db2.gz VCIMLCZIGXSMPU-UHFFFAOYSA-N 0 0 334.423 3.317 50 30 EGEARN N#CCc1ccc(I)c(F)c1Br ZINC000098210860 219087410 /nfs/dbraw/zinc/08/74/10/219087410.db2.gz IAMHVRJYQYLEJA-UHFFFAOYSA-N 0 0 339.933 3.259 50 30 EGEARN Cc1ccc(C(=O)/C=C2\NC(=S)N(c3ccccc3C)C2=O)cc1 ZINC000100134107 219092549 /nfs/dbraw/zinc/09/25/49/219092549.db2.gz JAHOJUJSHWZUEI-PTNGSMBKSA-N 0 0 336.416 3.291 50 30 EGEARN Cc1c(C(=O)NCc2ccccn2)oc2c1/C(=N\O)CC(C)(C)C2 ZINC000100931470 219111952 /nfs/dbraw/zinc/11/19/52/219111952.db2.gz AUMOZAVJUWJNNN-BKUYFWCQSA-N 0 0 327.384 3.064 50 30 EGEARN COc1ccc(C(=O)/C=C/c2ccc3c(c2)OCCO3)cc1OC ZINC000004380777 210183884 /nfs/dbraw/zinc/18/38/84/210183884.db2.gz UDJBNWRDAPTBBV-ZZXKWVIFSA-N 0 0 326.348 3.371 50 30 EGEARN CC(C)(O)C#Cc1cccc(-c2n[nH]c(CCc3ccccc3)n2)c1 ZINC000065373192 214878913 /nfs/dbraw/zinc/87/89/13/214878913.db2.gz BKGFESJFMIBAIU-UHFFFAOYSA-N 0 0 331.419 3.379 50 30 EGEARN CO[C@](F)(C(=O)Nc1ccc(OC(F)(F)F)cc1)C(F)(F)F ZINC000003672552 210073797 /nfs/dbraw/zinc/07/37/97/210073797.db2.gz ZVXXVBLYLXPRQP-SECBINFHSA-N 0 0 335.175 3.398 50 30 EGEARN CC(=O)C(=CNc1ccc(C)cc1)S(=O)(=O)c1ccccc1F ZINC000067340823 215134827 /nfs/dbraw/zinc/13/48/27/215134827.db2.gz NDYHPXFILVVELJ-GZTJUZNOSA-N 0 0 333.384 3.450 50 30 EGEARN CC[C@@H](C)Oc1cccc(Cn2ccc3nc(O)c(C#N)cc3c2=O)c1 ZINC000067674587 215179351 /nfs/dbraw/zinc/17/93/51/215179351.db2.gz CMTXEZAMEDTHAL-CYBMUJFWSA-N 0 0 349.390 3.199 50 30 EGEARN C=CCNC(=O)c1ccc(=O)n(Cc2c(Cl)cccc2Cl)c1 ZINC000003041286 209955698 /nfs/dbraw/zinc/95/56/98/209955698.db2.gz GVZJSFPSSOBTQN-UHFFFAOYSA-N 0 0 337.206 3.119 50 30 EGEARN COc1ccc(C(=O)/C=C2\C(=O)Nc3ccc(F)cc32)cc1OC ZINC000032646548 212822113 /nfs/dbraw/zinc/82/21/13/212822113.db2.gz CXLWUEIJLNYTPG-LCYFTJDESA-N 0 0 327.311 3.061 50 30 EGEARN CCn1cc(CN2CCN(c3ccccc3OC)C[C@@H]2C)cc1C#N ZINC000072128943 216018645 /nfs/dbraw/zinc/01/86/45/216018645.db2.gz VTJQDNQJAXTJON-INIZCTEOSA-N 0 0 338.455 3.099 50 30 EGEARN COC(=O)c1ccc(/N=C/c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000000358052 209548379 /nfs/dbraw/zinc/54/83/79/209548379.db2.gz PJTPUPZURBCOCI-YBFXNURJSA-N 0 0 329.352 3.250 50 30 EGEARN C=CCN1c2ccccc2[C@@](O)(CC(=O)c2ccc(Cl)cc2)C1=O ZINC000000299851 209523105 /nfs/dbraw/zinc/52/31/05/209523105.db2.gz JJFITTKCFGEHJI-IBGZPJMESA-N 0 0 341.794 3.333 50 30 EGEARN CCOC(=O)COc1nc(-c2ccco2)cc(-c2ccco2)c1C#N ZINC000000159094 209457319 /nfs/dbraw/zinc/45/73/19/209457319.db2.gz GKHZPDMBUPZYJE-UHFFFAOYSA-N 0 0 338.319 3.415 50 30 EGEARN CCn1cc(C[N@@H+]2CC[C@H](Cc3ccc(C(=O)[O-])cc3)C2)cc1C#N ZINC000072419440 216207641 /nfs/dbraw/zinc/20/76/41/216207641.db2.gz AZTWAZBNLAJDSI-MRXNPFEDSA-N 0 0 337.423 3.142 50 30 EGEARN N#Cc1nc(Cc2cccc3ccccc32)oc1N1CCC[C@@H](O)C1 ZINC000072427580 216218429 /nfs/dbraw/zinc/21/84/29/216218429.db2.gz DTOIYCUNKWUFJS-MRXNPFEDSA-N 0 0 333.391 3.251 50 30 EGEARN N#Cc1cccc(C(=O)NCc2ccc([C@@H](O)c3ccco3)s2)c1 ZINC000206683364 241047833 /nfs/dbraw/zinc/04/78/33/241047833.db2.gz QWOSTDVQQIOJBA-KRWDZBQOSA-N 0 0 338.388 3.224 50 30 EGEARN N#Cc1ccc(O[C@@H]2COCC[C@H]2NC(=O)C2CCCCCC2)cc1 ZINC000220039805 241425749 /nfs/dbraw/zinc/42/57/49/241425749.db2.gz MJAXARBHKSGUQD-RTBURBONSA-N 0 0 342.439 3.181 50 30 EGEARN C=CCSc1nc2c(c(=O)[nH]1)[C@@H](c1cc(F)cc(F)c1)CC(=O)N2 ZINC000021784811 212250447 /nfs/dbraw/zinc/25/04/47/212250447.db2.gz IQUCXWFRGXACDU-LLVKDONJSA-N 0 0 349.362 3.213 50 30 EGEARN C[C@@H]1CC(=O)C2C(=Nc3nonc3N[C@@H]2c2ccc3ncccc3c2)C1 ZINC000012324835 296264823 /nfs/dbraw/zinc/26/48/23/296264823.db2.gz POWUMKGEISIKOE-DYZYQPBXSA-N 0 0 347.378 3.450 50 30 EGEARN CC(C)Cc1nc(OCC(=O)N2CCCC2)c(C#N)c2c1CCCC2 ZINC000012324279 211347941 /nfs/dbraw/zinc/34/79/41/211347941.db2.gz LSVBCGJYHDMZCY-UHFFFAOYSA-N 0 0 341.455 3.032 50 30 EGEARN O=C1CCCC2=Nc3nonc3N[C@@H](c3ccc4ncccc4c3)C12 ZINC000012324640 211347855 /nfs/dbraw/zinc/34/78/55/211347855.db2.gz ZYQKYTHYQPANGM-INIZCTEOSA-N 0 0 333.351 3.204 50 30 EGEARN C=CCN(Cc1nc(-c2ccc(OC)cc2)no1)C(=O)C(C)(C)C ZINC000006697951 210682481 /nfs/dbraw/zinc/68/24/81/210682481.db2.gz BLWXCXXSEXRDJV-UHFFFAOYSA-N 0 0 329.400 3.306 50 30 EGEARN COc1ccccc1C1N=NC(=S)N1N=CC=Cc1ccco1 ZINC000006166191 210596335 /nfs/dbraw/zinc/59/63/35/210596335.db2.gz IZTLPMUTDOVFHX-ZUCBPKHASA-N 0 0 326.381 3.383 50 30 EGEARN CC(=O)C(=CNc1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000006088177 210587269 /nfs/dbraw/zinc/58/72/69/210587269.db2.gz DLKRDQBBTSBQBB-GZTJUZNOSA-N 0 0 333.384 3.450 50 30 EGEARN COC(=O)[C@@H](C)Oc1ccc2c(c1C)O/C(=C\c1ccco1)C2=O ZINC000005397450 210456499 /nfs/dbraw/zinc/45/64/99/210456499.db2.gz ULPFHLQSWSCNCQ-PDICVPPASA-N 0 0 328.320 3.145 50 30 EGEARN CCOc1ccc([C@@H]2CC(=O)NC3=C2C(=O)CCC3)cc1OCC ZINC000004915078 210323180 /nfs/dbraw/zinc/32/31/80/210323180.db2.gz WJKWQLXCTIOPAT-ZDUSSCGKSA-N 0 0 329.396 3.095 50 30 EGEARN C=CCN(C)c1ccc(C(=O)N2CCC[C@@H](C(=O)CC(C)C)C2)cn1 ZINC000067714450 258011265 /nfs/dbraw/zinc/01/12/65/258011265.db2.gz NHQNXHPBZCWMDI-QGZVFWFLSA-N 0 0 343.471 3.171 50 30 EGEARN Cc1ccsc1/C=N/c1cnn(C)c1C(=O)NCc1ccco1 ZINC000002797798 258050214 /nfs/dbraw/zinc/05/02/14/258050214.db2.gz CGXOTHKOHUHCHE-LICLKQGHSA-N 0 0 328.397 3.064 50 30 EGEARN COc1ccc([C@@H]2C(=C(C)O)C(=O)C(=O)N2c2ccc(C)cc2)cc1 ZINC000000070765 452498317 /nfs/dbraw/zinc/49/83/17/452498317.db2.gz JZXNDABXKWJPGE-GOSISDBHSA-N 0 0 337.375 3.493 50 30 EGEARN COc1ccc(N2CC(=O)C(c3nc4ccccc4s3)=C2N)cc1 ZINC000000132155 452515673 /nfs/dbraw/zinc/51/56/73/452515673.db2.gz BJECUPMXYARYIK-UHFFFAOYSA-N 0 0 337.404 3.022 50 30 EGEARN CCOC(=O)c1ccc(/N=C/c2cc3c(cc2[N+](=O)[O-])OCO3)cc1 ZINC000000222144 452541549 /nfs/dbraw/zinc/54/15/49/452541549.db2.gz QDYPYSBMOVBGRL-GIJQJNRQSA-N 0 0 342.307 3.251 50 30 EGEARN COc1ccc(C(=O)Nc2sc3c(c2C#N)CCC3)cc1OC ZINC000000249153 452545861 /nfs/dbraw/zinc/54/58/61/452545861.db2.gz RAFZMHICBCRXGM-UHFFFAOYSA-N 0 0 328.393 3.378 50 30 EGEARN Cc1nc2ccccc2c(=O)n1/N=C/c1c(O)ccc2ccccc21 ZINC000000348439 452567711 /nfs/dbraw/zinc/56/77/11/452567711.db2.gz JGLXBMHDKKBLJV-CIAFOILYSA-N 0 0 329.359 3.446 50 30 EGEARN Cc1ccc(C(=O)Nc2nc3nc4ccccc4n3cc2C#N)cc1 ZINC000000388892 452577934 /nfs/dbraw/zinc/57/79/34/452577934.db2.gz GBWKPEMZCOBPPM-UHFFFAOYSA-N 0 0 327.347 3.315 50 30 EGEARN COc1cc(NC=C2C(=O)c3ccccc3C2=O)cc(OC)c1OC ZINC000000441911 452593484 /nfs/dbraw/zinc/59/34/84/452593484.db2.gz MZFOMBMKAKXBMA-UHFFFAOYSA-N 0 0 339.347 3.087 50 30 EGEARN COc1cc(OC)c(OC)cc1/C=C1\N=C(SC)SC1=O ZINC000000458083 452598465 /nfs/dbraw/zinc/59/84/65/452598465.db2.gz WVRNZSZAXPTYPS-UITAMQMPSA-N 0 0 325.411 3.046 50 30 EGEARN CC(C)OC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCCCC1 ZINC000000551974 452619540 /nfs/dbraw/zinc/61/95/40/452619540.db2.gz NPRZORIXIHPTSB-AWEZNQCLSA-N 0 0 338.411 3.179 50 30 EGEARN COc1cccc(N2C(=O)C(=O)C(=C(C)O)[C@@H]2c2ccccc2F)c1 ZINC000000548645 452620499 /nfs/dbraw/zinc/62/04/99/452620499.db2.gz FALARGXHXHDVOU-KRWDZBQOSA-N 0 0 341.338 3.323 50 30 EGEARN CC(=O)O/N=C1/c2ccccc2N(Cc2cccc(Cl)c2)C1=O ZINC000001401165 452660216 /nfs/dbraw/zinc/66/02/16/452660216.db2.gz SUBVCYAJZNNWOH-MNDPQUGUSA-N 0 0 328.755 3.154 50 30 EGEARN Cc1ccccc1C(=O)OCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000002549593 452704994 /nfs/dbraw/zinc/70/49/94/452704994.db2.gz VKBWNMYPWHNRMQ-UHFFFAOYSA-N 0 0 340.404 3.212 50 30 EGEARN C=CCN(CC=C)C(=O)c1cccc(I)c1 ZINC000002750897 452719228 /nfs/dbraw/zinc/71/92/28/452719228.db2.gz NWMFCSRMMNTRSY-UHFFFAOYSA-N 0 0 327.165 3.105 50 30 EGEARN NC(=S)N/N=C/c1cc(-c2ccccc2)oc1N1CCCCC1 ZINC000002765478 452720814 /nfs/dbraw/zinc/72/08/14/452720814.db2.gz AYINQKMZCRTFKH-XDHOZWIPSA-N 0 0 328.441 3.104 50 30 EGEARN S=C1N=NCN1N=Cc1ccc(COc2cccc(Cl)c2)o1 ZINC000002790214 452724183 /nfs/dbraw/zinc/72/41/83/452724183.db2.gz ZEPBEVCGUCOMOQ-REZTVBANSA-N 0 0 334.788 3.274 50 30 EGEARN CCCNC(=NS(=O)(=O)c1ccc(C)cc1)c1ccc(F)cc1 ZINC000002841233 452727684 /nfs/dbraw/zinc/72/76/84/452727684.db2.gz AVFMBJWMQLWOGM-UHFFFAOYSA-N 0 0 334.416 3.269 50 30 EGEARN Nc1c(C=[NH+][N-]c2ccccc2)ccc2c1C(=O)c1ccccc1C2=O ZINC000004184477 452795454 /nfs/dbraw/zinc/79/54/54/452795454.db2.gz VKNSMHMXJVVXOI-FSJBWODESA-N 0 0 341.370 3.490 50 30 EGEARN CC(C)(O)C#Cc1ccc(C#Cc2ccc(C#CC(C)(C)O)cc2)cc1 ZINC000004523767 452806378 /nfs/dbraw/zinc/80/63/78/452806378.db2.gz QSWJXKXSPDTYOF-UHFFFAOYSA-N 0 0 342.438 3.331 50 30 EGEARN CCOc1ccc(/C=N/c2ccc(N3CCOCC3)cc2)c(O)c1 ZINC000004663480 452812028 /nfs/dbraw/zinc/81/20/28/452812028.db2.gz AESMJBULZCGUSJ-XSFVSMFZSA-N 0 0 326.396 3.378 50 30 EGEARN CCN(CC)/C(=N\S(=O)(=O)c1ccccc1)c1ccc(F)cc1 ZINC000005173836 452843024 /nfs/dbraw/zinc/84/30/24/452843024.db2.gz MPHSWBLGGLDCHL-ZPHPHTNESA-N 0 0 334.416 3.303 50 30 EGEARN COc1ccc(C(=O)C2=C(O)C(=O)N(C)[C@@H]2c2cccc(F)c2)cc1 ZINC000005686964 452895343 /nfs/dbraw/zinc/89/53/43/452895343.db2.gz OKKWKPFJLYHHJT-MRXNPFEDSA-N 0 0 341.338 3.042 50 30 EGEARN N#Cc1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000008263543 453184408 /nfs/dbraw/zinc/18/44/08/453184408.db2.gz VDFFOCMUTCRXGD-ZDUSSCGKSA-N 0 0 339.782 3.203 50 30 EGEARN COc1ccc(NC(=O)[C@@H](C)Oc2ccc(/C(C)=N\O)cc2)cc1 ZINC000013115856 453447976 /nfs/dbraw/zinc/44/79/76/453447976.db2.gz ZOHHXJQOQLECCJ-UAAGNOOKSA-N 0 0 328.368 3.299 50 30 EGEARN Cc1ccc2nc(NC(N)=NC(=O)NC3CCCCC3)nc(C)c2c1 ZINC000013656134 453478610 /nfs/dbraw/zinc/47/86/10/453478610.db2.gz IJFNMWRASZLSEN-UHFFFAOYSA-N 0 0 340.431 3.016 50 30 EGEARN N#CCc1ccc(NS(=O)(=O)Cc2c(F)cccc2Cl)cc1 ZINC000016579178 453612142 /nfs/dbraw/zinc/61/21/42/453612142.db2.gz PBBYZGOODGSZPM-UHFFFAOYSA-N 0 0 338.791 3.487 50 30 EGEARN O=C1CS/C(=N/c2ccn(Cc3ccc(Cl)cc3)n2)N1C1CC1 ZINC000017072196 453628871 /nfs/dbraw/zinc/62/88/71/453628871.db2.gz XWQCASPEQDOVIH-FBMGVBCBSA-N 0 0 346.843 3.310 50 30 EGEARN CC1(C)C[C@@]2(CCO1)C(Nc1ccccc1)=NC(=S)N2CC#N ZINC000018067076 453641846 /nfs/dbraw/zinc/64/18/46/453641846.db2.gz VFKUELPTCOWTMI-KRWDZBQOSA-N 0 0 328.441 3.169 50 30 EGEARN Cc1ccc(O)c([C@H]2c3c(=O)[nH][nH]c3NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000018195585 453647904 /nfs/dbraw/zinc/64/79/04/453647904.db2.gz MVADLTRLYGCRIR-CQSZACIVSA-N 0 0 339.395 3.330 50 30 EGEARN C=CCn1c(CCCCc2n[nH]c(=S)n2CC=C)n[nH]c1=S ZINC000025557909 453777597 /nfs/dbraw/zinc/77/75/97/453777597.db2.gz VPNYZIFYDCAKDP-UHFFFAOYSA-N 0 0 336.490 3.132 50 30 EGEARN N#Cc1cccc(N2CCC[C@](CO)(Cc3cccc(Cl)c3)C2)n1 ZINC000067712824 453960099 /nfs/dbraw/zinc/96/00/99/453960099.db2.gz WJBSTONTGBPDAL-IBGZPJMESA-N 0 0 341.842 3.428 50 30 EGEARN Cc1ccsc1C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000055294216 453974650 /nfs/dbraw/zinc/97/46/50/453974650.db2.gz MLRZBELZCSFAIE-UHFFFAOYSA-N 0 0 339.464 3.276 50 30 EGEARN CC(N=Nc1nc(-c2ccccc2)cs1)c1c(O)cc(O)cc1O ZINC000043761276 454077257 /nfs/dbraw/zinc/07/72/57/454077257.db2.gz JWZOADOSNQGIHZ-VXLYETTFSA-N 0 0 341.392 3.185 50 30 EGEARN COc1ccccc1[C@H]1C2C(=O)CC(C)(C)CC2=Nc2c(C#N)cnn21 ZINC000044893695 454124845 /nfs/dbraw/zinc/12/48/45/454124845.db2.gz ORGZUBNQOZYOEN-SFHVURJKSA-N 0 0 348.406 3.421 50 30 EGEARN N#Cc1ccc(C(=O)OCC(=O)Nc2cc(F)ccc2Cl)cc1 ZINC000057471946 454131244 /nfs/dbraw/zinc/13/12/44/454131244.db2.gz CIFXPZRYYKUAOB-UHFFFAOYSA-N 0 0 332.718 3.146 50 30 EGEARN CCOC(=O)C1CCN(c2cccc(Br)c2C#N)CC1 ZINC000095495734 454221586 /nfs/dbraw/zinc/22/15/86/454221586.db2.gz ZSFMRRYGQRABPI-UHFFFAOYSA-N 0 0 337.217 3.100 50 30 EGEARN CCCn1cnnc1[C@H](C)NC(=O)Nc1ccc(C#N)cc1CC ZINC000095521021 454226264 /nfs/dbraw/zinc/22/62/64/454226264.db2.gz MJJYALYQSIRHLN-LBPRGKRZSA-N 0 0 326.404 3.005 50 30 EGEARN CCc1cc(C#N)ccc1NC(=O)NCCc1nc2c(c(C)n1)CCC2 ZINC000095522693 454227212 /nfs/dbraw/zinc/22/72/12/454227212.db2.gz IPSGSFJTOPAQKU-UHFFFAOYSA-N 0 0 349.438 3.072 50 30 EGEARN CCCNC(=O)c1ccc(NC(=O)N2CCC[C@H](C#N)C2)cc1Cl ZINC000096179621 454296730 /nfs/dbraw/zinc/29/67/30/454296730.db2.gz XIEZFYXRNJUBAW-GFCCVEGCSA-N 0 0 348.834 3.247 50 30 EGEARN C#CCOc1ccc([C@@H]2CC(=O)Nc3nc(NC)sc32)cc1OC ZINC000061720652 454352233 /nfs/dbraw/zinc/35/22/33/454352233.db2.gz PULVSAAUXITGIF-NSHDSACASA-N 0 0 343.408 3.329 50 30 EGEARN C#CCn1c2c(cccc2F)s/c1=N\C(=O)c1ccccc1F ZINC000100877862 454467568 /nfs/dbraw/zinc/46/75/68/454467568.db2.gz XYUPHGZPHBZIHX-JZJYNLBNSA-N 0 0 328.343 3.355 50 30 EGEARN C#CCn1c2ccc(F)cc2s/c1=N\C(=O)c1ccc(OC)cc1 ZINC000100875360 454467850 /nfs/dbraw/zinc/46/78/50/454467850.db2.gz SZUDCAVVQJGRDR-ZZEZOPTASA-N 0 0 340.379 3.225 50 30 EGEARN C#CCn1c2c(cccc2OC)s/c1=N\C(=O)c1ccccc1F ZINC000100910339 454468631 /nfs/dbraw/zinc/46/86/31/454468631.db2.gz PFAYOPPAABYRKO-ZZEZOPTASA-N 0 0 340.379 3.225 50 30 EGEARN CCOC(=O)N1CCN(Cc2ccc(-c3ccccc3C#N)o2)CC1 ZINC000223279731 456054901 /nfs/dbraw/zinc/05/49/01/456054901.db2.gz NAANZYGKSHQHRG-UHFFFAOYSA-N 0 0 339.395 3.092 50 30 EGEARN C=CCc1cc(C(=O)N[C@H](C)c2nc(C(C)C)no2)ccc1OC ZINC000299787751 456781287 /nfs/dbraw/zinc/78/12/87/456781287.db2.gz YAXHNIZXTHNRCM-GFCCVEGCSA-N 0 0 329.400 3.421 50 30 EGEARN N#Cc1ccnc(O[C@@H]2CCCN(C(=O)Nc3cccs3)C2)c1 ZINC000575613723 459983981 /nfs/dbraw/zinc/98/39/81/459983981.db2.gz SMOJBPGOEINXBD-CYBMUJFWSA-N 0 0 328.397 3.090 50 30 EGEARN C=CCN(Cc1ccccc1C)C(=O)COc1ccc2c(c1)OCO2 ZINC000055344690 518786577 /nfs/dbraw/zinc/78/65/77/518786577.db2.gz WRXQFRADSMSRSV-UHFFFAOYSA-N 0 0 339.391 3.317 50 30 EGEARN CCN(CC)c1ccc(C=[NH+][N-]c2ccc([N+](=O)[O-])cn2)c(OC)c1 ZINC000004047976 520881991 /nfs/dbraw/zinc/88/19/91/520881991.db2.gz LFTSCURAEKHGAB-YBFXNURJSA-N 0 0 343.387 3.291 50 30 EGEARN COc1ccc(CN=Nc2cc(-n3nc(C)cc3C)nc(C)n2)cc1 ZINC000004595592 523443334 /nfs/dbraw/zinc/44/33/34/523443334.db2.gz YFNWBTOYLGPBAS-YBFXNURJSA-N 0 0 336.399 3.042 50 30 EGEARN O=C(/C=C/c1ccco1)/N=C1\SCCN1C(=O)/C=C/c1ccco1 ZINC000013946351 527639091 /nfs/dbraw/zinc/63/90/91/527639091.db2.gz YSNCRVHUMVISIH-DHQATEGRSA-N 0 0 342.376 3.057 50 30 EGEARN C=C(C)COc1ccccc1CN1CCN(C(=O)C(C)(C)C)CC1 ZINC000055404715 214319465 /nfs/dbraw/zinc/31/94/65/214319465.db2.gz XMDDFOVQORGKQK-UHFFFAOYSA-N 0 0 330.472 3.332 50 30 EGEARN C#CC(C)(C)n1cc(Oc2ccccc2)c(=O)c(C(=O)OCC)c1 ZINC000055414141 214322725 /nfs/dbraw/zinc/32/27/25/214322725.db2.gz JTIOYXWYDIRWAZ-UHFFFAOYSA-N 0 0 325.364 3.186 50 30 EGEARN C=CCN1C(=O)S/C(=C\c2cccn2-c2ccc(O)cc2)C1=O ZINC000004687772 210247412 /nfs/dbraw/zinc/24/74/12/210247412.db2.gz KHVJDGGBMGWJSD-PTNGSMBKSA-N 0 0 326.377 3.405 50 30 EGEARN C=CCn1c2nc(-c3ccc(OC)cc3)[nH]c(=O)c2sc1=S ZINC000004572586 210225308 /nfs/dbraw/zinc/22/53/08/210225308.db2.gz RDXGBEXUGPKMNJ-UHFFFAOYSA-N 0 0 331.422 3.377 50 30 EGEARN COc1cccc(C(=O)Cc2nc3cc(Cl)ccc3oc2=O)c1 ZINC000100166408 219093383 /nfs/dbraw/zinc/09/33/83/219093383.db2.gz DOMJKRAQRSCUSH-NTEUORMPSA-N 0 0 329.739 3.446 50 30 EGEARN COc1ccc(/C=N\c2ccc(N3CCOCC3)cc2)cc1[N+](=O)[O-] ZINC000100249064 219095600 /nfs/dbraw/zinc/09/56/00/219095600.db2.gz HSOQUALOQPXBDW-UYRXBGFRSA-N 0 0 341.367 3.191 50 30 EGEARN COC(=O)c1ccc2c(c1)[nH]c(C1C(=O)c3ccccc3C1=O)cc2=O ZINC000100430257 219099346 /nfs/dbraw/zinc/09/93/46/219099346.db2.gz LZLNXDCVEIOSAM-UHFFFAOYSA-N 0 0 347.326 3.131 50 30 EGEARN CSc1nc2n(n1)[C@@H](c1cc(F)cc(F)c1)C1C(=O)CCCC1=N2 ZINC000004488266 210201441 /nfs/dbraw/zinc/20/14/41/210201441.db2.gz DLZSQWHOXSWOHZ-AWEZNQCLSA-N 0 0 348.378 3.300 50 30 EGEARN C[C@@H](Oc1cccc(Cl)c1)c1ccnc2nc(/N=C/N(C)C)nn21 ZINC000100554942 219101846 /nfs/dbraw/zinc/10/18/46/219101846.db2.gz QCIDABMIGABSSL-VURRPDKYSA-N 0 0 344.806 3.139 50 30 EGEARN COc1ccc(O)c(C(=O)/C=C/c2ccc3c(c2)OCCCO3)c1 ZINC000004023260 210102182 /nfs/dbraw/zinc/10/21/82/210102182.db2.gz QQEUWNHIZBKOLF-ZZXKWVIFSA-N 0 0 326.348 3.458 50 30 biogenic EGEARN COc1ccc(C(=O)C2=C(O)C(=O)N(C)[C@@H]2c2ccc(C)cc2)cc1 ZINC000102587326 219212645 /nfs/dbraw/zinc/21/26/45/219212645.db2.gz QITQWYAYVUVQKZ-GROYHEBESA-N 0 0 337.375 3.055 50 30 EGEARN Cc1nc(-c2cc(-c3ccc(-n4ccnc4)cc3)nc(N)c2C#N)c[nH]1 ZINC000067833727 215224724 /nfs/dbraw/zinc/22/47/24/215224724.db2.gz WWOYCLCQNMGLLS-UHFFFAOYSA-N 0 0 341.378 3.087 50 30 EGEARN C=CCSc1nnc2c(n1)O[C@@H](CC)N(C(C)=O)c1ccccc1-2 ZINC000002470557 209855418 /nfs/dbraw/zinc/85/54/18/209855418.db2.gz GKBFBGCQLGZEMY-AWEZNQCLSA-N 0 0 342.424 3.298 50 30 EGEARN CC(=O)N1CCc2c(C#N)c(NC(=O)CC3CCCCC3)sc2C1 ZINC000038549332 213215159 /nfs/dbraw/zinc/21/51/59/213215159.db2.gz HZYHQSZQIHWYHN-UHFFFAOYSA-N 0 0 345.468 3.433 50 30 EGEARN C=CCNS(=O)(=O)c1ccc(Br)c(OCCCC)c1 ZINC000036638840 213106230 /nfs/dbraw/zinc/10/62/30/213106230.db2.gz KWQRGCHELYJQKC-UHFFFAOYSA-N 0 0 348.262 3.092 50 30 EGEARN COc1cc(/C=C/C(=O)c2ccccc2F)c(OC)c2c1OCO2 ZINC000035324226 213021410 /nfs/dbraw/zinc/02/14/10/213021410.db2.gz QGAVCXGJZGAGIG-BQYQJAHWSA-N 0 0 330.311 3.468 50 30 EGEARN N#Cc1c(SCC(N)=O)nc(-c2ccccc2)cc1C(F)(F)F ZINC000000202985 209482520 /nfs/dbraw/zinc/48/25/20/209482520.db2.gz DPUJRYUSCJYOIN-UHFFFAOYSA-N 0 0 337.326 3.216 50 30 EGEARN C=CCn1c(SCCC)nc2sc3c(c2c1=O)CCN(C)C3 ZINC000020813793 212173840 /nfs/dbraw/zinc/17/38/40/212173840.db2.gz WIONVPMPVVPQDT-UHFFFAOYSA-N 0 0 335.498 3.134 50 30 EGEARN Cc1nn(-c2cc(Oc3cc(C)ccc3C)nc(C)n2)c(N)c1C#N ZINC000019910119 212083051 /nfs/dbraw/zinc/08/30/51/212083051.db2.gz XVONVCIZGCUHPJ-UHFFFAOYSA-N 0 0 334.383 3.142 50 30 EGEARN COC(=O)CSc1nc(-c2ccccc2Cl)nc(C)c1C#N ZINC000013629862 211593734 /nfs/dbraw/zinc/59/37/34/211593734.db2.gz MXGAJKWRCRCRNB-UHFFFAOYSA-N 0 0 333.800 3.242 50 30 EGEARN COc1ccc([C@@H]2C(C(=O)c3ccccc3)C(C)=Nc3ncnn32)cc1 ZINC000009306637 211063646 /nfs/dbraw/zinc/06/36/46/211063646.db2.gz ULYANBKRBSOBIU-GOSISDBHSA-N 0 0 346.390 3.459 50 30 EGEARN O=C(c1coc2c1C(=O)C(=O)C(Br)=C2)c1ccccc1 ZINC000002075173 296295728 /nfs/dbraw/zinc/29/57/28/296295728.db2.gz XABKEHWUESXUHI-UHFFFAOYSA-N 0 0 331.121 3.012 50 30 EGEARN Oc1ccc(Br)cc1CN=Nc1nccnc1Cl ZINC000004947220 210336272 /nfs/dbraw/zinc/33/62/72/210336272.db2.gz KEPJSWWDSLRROQ-OMCISZLKSA-N 0 0 327.569 3.044 50 30 EGEARN CCOc1ccc(NC(=O)N2CCC[C@H](c3cc[nH]n3)C2)cc1C#N ZINC000097436894 219024438 /nfs/dbraw/zinc/02/44/38/219024438.db2.gz DBKULWVFCNKAKD-ZDUSSCGKSA-N 0 0 339.399 3.092 50 30 EGEARN C=CCOc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000004842455 210296443 /nfs/dbraw/zinc/29/64/43/210296443.db2.gz NRVAEXXTGRGSGD-UHFFFAOYSA-N 0 0 328.324 3.421 50 30 EGEARN CC(C)[C@@H](NC(=O)c1ccc(-c2ccccc2C#N)cc1)C(=O)N(C)C ZINC000426388614 257969878 /nfs/dbraw/zinc/96/98/78/257969878.db2.gz XWSGXBLYILJLJI-LJQANCHMSA-N 0 0 349.434 3.068 50 30 EGEARN C=CCOc1ccc(Br)cc1C=C1SC(=O)NC1=O ZINC000002169561 258017404 /nfs/dbraw/zinc/01/74/04/258017404.db2.gz GOFFEXNGJFTKIP-YRNVUSSQSA-N 0 0 340.198 3.338 50 30 EGEARN CCOc1cccc2cc(C(N)=O)/c(=N/c3ccc(C#N)cc3)oc21 ZINC000017130882 276382274 /nfs/dbraw/zinc/38/22/74/276382274.db2.gz FOBLCNOIUSHYNH-QOCHGBHMSA-N 0 0 333.347 3.034 50 30 EGEARN COc1ccc(-c2nn(C)c3c2/C(=N\O)c2ccccc2-3)cc1OC ZINC000005200253 277397700 /nfs/dbraw/zinc/39/77/00/277397700.db2.gz GPDBJJNTRIJWCH-UZYVYHOESA-N 0 0 335.363 3.311 50 30 EGEARN CC(=O)C1=C(C)Nc2sc(C(N)=O)c(N)c2[C@H]1c1cccc(C)c1 ZINC000022034610 277932584 /nfs/dbraw/zinc/93/25/84/277932584.db2.gz YAMXUQMJYBYLFK-ZDUSSCGKSA-N 0 0 341.436 3.158 50 30 EGEARN CC(C)N1/C(=C/c2ccccc2)C(=O)c2ccccc2S1(=O)=O ZINC000005274932 279466157 /nfs/dbraw/zinc/46/61/57/279466157.db2.gz ADCRLKRQMNZQIP-FOWTUZBSSA-N 0 0 327.405 3.323 50 30 EGEARN N#CCc1cc(F)c(I)cc1Br ZINC000169797937 279481848 /nfs/dbraw/zinc/48/18/48/279481848.db2.gz KBAMDGKEZXVOGW-UHFFFAOYSA-N 0 0 339.933 3.259 50 30 EGEARN CN(C)N1C(=O)C[C@H](c2ccc(F)cc2)C2=C1CC(C)(C)CC2=O ZINC000001422748 289227619 /nfs/dbraw/zinc/22/76/19/289227619.db2.gz HTAQDNHNVLILJM-CQSZACIVSA-N 0 0 330.403 3.261 50 30 EGEARN C[C@@H]1CN(CN2c3ccccc3/C(=N\c3ccccc3)C2=O)C[C@@H](C)O1 ZINC000100153730 297010401 /nfs/dbraw/zinc/01/04/01/297010401.db2.gz LBEGJLYBEASKPC-OVDVQJHRSA-N 0 0 349.434 3.221 50 30 EGEARN COc1ccc([C@H]2C(C(=O)c3ccccc3)C(C)=Nc3ncnn32)cc1 ZINC000009306636 295246820 /nfs/dbraw/zinc/24/68/20/295246820.db2.gz ULYANBKRBSOBIU-SFHVURJKSA-N 0 0 346.390 3.459 50 30 EGEARN COc1ccc([C@H]2[C@H](C(C)C)C(=O)CC(C#N)(C#N)C2(C#N)C#N)cc1 ZINC000000506980 295252966 /nfs/dbraw/zinc/25/29/66/295252966.db2.gz ROFNYPZDFRHARM-MSOLQXFVSA-N 0 0 346.390 3.091 50 30 EGEARN C#CCN1c2ccccc2[C@@](O)(CC(=O)c2c(C)cc(C)cc2C)C1=O ZINC000000316523 452562044 /nfs/dbraw/zinc/56/20/44/452562044.db2.gz DKQPMVUUFUIDCP-QFIPXVFZSA-N 0 0 347.414 3.052 50 30 EGEARN N#Cc1ccccc1NC(=O)c1ccc(I)cc1 ZINC000000515299 452610345 /nfs/dbraw/zinc/61/03/45/452610345.db2.gz FXNVZEZATFXHTB-UHFFFAOYSA-N 0 0 348.143 3.415 50 30 EGEARN CCOc1ccc(/N=C/c2ccc(OCC(N)=O)c(OCC)c2)cc1 ZINC000000361358 452572214 /nfs/dbraw/zinc/57/22/14/452572214.db2.gz RPZOXBGQYAKBDF-CIAFOILYSA-N 0 0 342.395 3.099 50 30 EGEARN CC(=C1C(=O)c2ccccc2C1=O)N1CCN(c2ccccc2)CC1 ZINC000000525784 452614583 /nfs/dbraw/zinc/61/45/83/452614583.db2.gz UKRJXBMSBIUKGN-UHFFFAOYSA-N 0 0 332.403 3.162 50 30 EGEARN C=CCn1c2ncn([C@H](C)CC)c(=O)c2c2nc3ccccc3nc21 ZINC000000534095 452616731 /nfs/dbraw/zinc/61/67/31/452616731.db2.gz FQHOQKOHGCMRLU-GFCCVEGCSA-N 0 0 333.395 3.451 50 30 EGEARN N#Cc1nc(-c2cccc3ccccc32)oc1N1CCC(C(N)=O)CC1 ZINC000000545295 452619781 /nfs/dbraw/zinc/61/97/81/452619781.db2.gz NDBVBQVEWJWRND-UHFFFAOYSA-N 0 0 346.390 3.068 50 30 EGEARN C=CCn1c2ccccc2c2nnc(S[C@H](C)C(=O)OCC)nc21 ZINC000001117068 452647562 /nfs/dbraw/zinc/64/75/62/452647562.db2.gz FDHNFOFKCHVNMZ-LLVKDONJSA-N 0 0 342.424 3.209 50 30 EGEARN COc1cc(C#N)c(NC(=S)NCc2ccc(F)cc2)cc1OC ZINC000001394920 452660360 /nfs/dbraw/zinc/66/03/60/452660360.db2.gz MJRLQRUMTXBTAP-UHFFFAOYSA-N 0 0 345.399 3.201 50 30 EGEARN C=C(C)C(=O)OCCOC(=O)Nc1cccc(Br)c1 ZINC000002172443 452688836 /nfs/dbraw/zinc/68/88/36/452688836.db2.gz GZSPZTXHNOXARE-UHFFFAOYSA-N 0 0 328.162 3.117 50 30 EGEARN COC(=O)c1scc(C)c1NC=C1C(=O)c2ccccc2C1=O ZINC000002550099 452704452 /nfs/dbraw/zinc/70/44/52/452704452.db2.gz IRNDWAGCNUJKLR-UHFFFAOYSA-N 0 0 327.361 3.218 50 30 EGEARN CCOC(=O)c1cc(C(=O)c2ccc(F)cc2)n2cccc(C#N)c12 ZINC000002529491 452704532 /nfs/dbraw/zinc/70/45/32/452704532.db2.gz ZZIWNGZWOWKJQU-UHFFFAOYSA-N 0 0 336.322 3.358 50 30 EGEARN COc1cc(/C=N/NC(N)=S)ccc1OCc1ccccc1Cl ZINC000005236891 452850041 /nfs/dbraw/zinc/85/00/41/452850041.db2.gz KHQCOCZAIUSZBP-DJKKODMXSA-N 0 0 349.843 3.095 50 30 EGEARN C[C@@H]1CN(c2snnc2/C=C/C(=O)c2ccccc2)C[C@@H](C)O1 ZINC000005242874 452850508 /nfs/dbraw/zinc/85/05/08/452850508.db2.gz WOHAKMRPKXRXBF-RYYBZQDPSA-N 0 0 329.425 3.048 50 30 EGEARN COc1ccc(C(=O)C2C(=O)C(=O)N(C)[C@H]2c2ccc(F)cc2)cc1 ZINC000005686969 452895679 /nfs/dbraw/zinc/89/56/79/452895679.db2.gz JDHJHRQXHXPOEL-INIZCTEOSA-N 0 0 341.338 3.042 50 30 EGEARN Cc1ccc(S(=O)(=O)/N=C(/c2ccc(F)cc2)N2CCCC2)cc1 ZINC000012732428 453394801 /nfs/dbraw/zinc/39/48/01/453394801.db2.gz SRDIWPQDFQJONP-ZZEZOPTASA-N 0 0 346.427 3.365 50 30 EGEARN Fc1ccc(NC(=S)N/N=C/c2ccc3c(c2)OCO3)c(F)c1 ZINC000017070581 453628313 /nfs/dbraw/zinc/62/83/13/453628313.db2.gz MVGVZNCQQWNGBK-CNHKJKLMSA-N 0 0 335.335 3.014 50 30 EGEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1 ZINC000019300854 453655390 /nfs/dbraw/zinc/65/53/90/453655390.db2.gz QVQKQVCVNNTYJF-KRWDZBQOSA-N 0 0 325.408 3.464 50 30 EGEARN C=CCOc1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000024614004 453739863 /nfs/dbraw/zinc/73/98/63/453739863.db2.gz PMRICHLLBFFNCA-UHFFFAOYSA-N 0 0 348.380 3.269 50 30 EGEARN C/C(=N/NS(=O)(=O)c1ccc(C)c(C)c1)c1c[nH]c2ccccc12 ZINC000032578364 453878724 /nfs/dbraw/zinc/87/87/24/453878724.db2.gz FDLLLIQNTOOYEU-ZHZULCJRSA-N 0 0 341.436 3.487 50 30 EGEARN N#Cc1ccnc(N2CCC[C@](CO)(Cc3cccc(Cl)c3)C2)c1 ZINC000067457960 453932944 /nfs/dbraw/zinc/93/29/44/453932944.db2.gz ABTTWDQHAMWJIH-IBGZPJMESA-N 0 0 341.842 3.428 50 30 EGEARN COc1ccc(OC)c([C@H]2CCN(C(=O)c3ccc(C#N)cc3)C2)c1 ZINC000077341891 454094035 /nfs/dbraw/zinc/09/40/35/454094035.db2.gz VGTZLBUNEHNELA-INIZCTEOSA-N 0 0 336.391 3.205 50 30 EGEARN COc1ccc(C[C@@H](C#N)C(=O)Nc2ccccc2OC)c(OC)c1 ZINC000057524884 454134666 /nfs/dbraw/zinc/13/46/66/454134666.db2.gz VJPUCIFLSDDLGR-AWEZNQCLSA-N 0 0 340.379 3.033 50 30 EGEARN C=CCn1cnc2c(sc3nc(N4CCCC4)cc(C)c32)c1=O ZINC000071280271 454204350 /nfs/dbraw/zinc/20/43/50/454204350.db2.gz HZYKWTUIUFIOHL-UHFFFAOYSA-N 0 0 326.425 3.101 50 30 EGEARN Cc1nc(N)sc1-c1cc(-c2ccccc2F)c(C#N)c(N)n1 ZINC000071405733 454206775 /nfs/dbraw/zinc/20/67/75/454206775.db2.gz CHRLVVYFGSNDQG-UHFFFAOYSA-N 0 0 325.372 3.356 50 30 EGEARN C[C@H]1OCc2c1nc(N)c(C#N)c2-c1cccc2c1OC(F)(F)O2 ZINC000071749384 454212845 /nfs/dbraw/zinc/21/28/45/454212845.db2.gz JZRQVPWTALXVNN-SSDOTTSWSA-N 0 0 331.278 3.115 50 30 EGEARN CC(=O)[C@@H]1C[C@H](O)[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000071770793 454216909 /nfs/dbraw/zinc/21/69/09/454216909.db2.gz TXSVIPOXNODKEY-FSEDFMJGSA-N 0 0 328.452 3.470 50 30 EGEARN COc1cccc2c1ccn2CC(=O)Nc1nnc(CC(C)C)[nH]1 ZINC000095474466 454219628 /nfs/dbraw/zinc/21/96/28/454219628.db2.gz VIWSMECRCUHBPK-UHFFFAOYSA-N 0 0 327.388 3.255 50 30 EGEARN CCCCCCCCNS(=O)(=O)c1cccc2nsnc21 ZINC000098023330 454449669 /nfs/dbraw/zinc/44/96/69/454449669.db2.gz PLMGHIRAPRFPKU-UHFFFAOYSA-N 0 0 327.475 3.330 50 30 EGEARN C#CCOc1ccccc1[C@H]1CC(=O)Nc2c1cnn2-c1ccccc1 ZINC000065370022 454555452 /nfs/dbraw/zinc/55/54/52/454555452.db2.gz NJTJEZJBEPIZJZ-QGZVFWFLSA-N 0 0 343.386 3.358 50 30 EGEARN Cc1cc([C@@H](C#N)C(=O)OCc2ccccc2)c([N+](=O)[O-])cc1F ZINC000113276560 454921189 /nfs/dbraw/zinc/92/11/89/454921189.db2.gz IYULZAQZZQQAFH-CQSZACIVSA-N 0 0 328.299 3.393 50 30 EGEARN [N-]=[N+]=Nc1cc([N+](=O)[O-])cc2c1C(=O)N(Cc1ccccc1)[S@@]2=O ZINC000245257019 455281769 /nfs/dbraw/zinc/28/17/69/455281769.db2.gz VTERQTXNYMKNAR-XMMPIXPASA-N 0 0 343.324 3.215 50 30 EGEARN CC(=NNS(=O)(=O)c1ccc(C)cc1)[C@H]1C[C@@H]1c1ccccc1 ZINC000252678269 455827067 /nfs/dbraw/zinc/82/70/67/455827067.db2.gz CYTXZSSGRJWZNE-QZTJIDSGSA-N 0 0 328.437 3.453 50 30 EGEARN C[C@@]12CC(=O)[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CCC21OCCO1 ZINC000299804360 456783263 /nfs/dbraw/zinc/78/32/63/456783263.db2.gz XMIPNXQFQQDPBR-OMZCVMJRSA-N 0 0 344.451 3.440 50 30 EGEARN CCCCCCCCc1ccc(CCC(CO)(CO)NC(C)=O)cc1 ZINC000100046743 520049909 /nfs/dbraw/zinc/04/99/09/520049909.db2.gz XDKYDMHKJNIXAT-UHFFFAOYSA-N 0 0 349.515 3.382 50 30 EGEARN COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)cc2)ccc1O ZINC000031430204 521977187 /nfs/dbraw/zinc/97/71/87/521977187.db2.gz HJTVQHVGMGKONQ-FTBRZUGYSA-N 0 0 338.359 3.361 50 30 EGEARN Cc1nn(C)cc1/C=N/c1sccc1C(=O)NCc1ccco1 ZINC000006527226 527689234 /nfs/dbraw/zinc/68/92/34/527689234.db2.gz VESRTQDXHVSIQQ-QGMBQPNBSA-N 0 0 328.397 3.064 50 30 EGEARN COc1cccc2c1C1(CCN(c3nc(C)ccc3C#N)CC1)OCC2 ZINC001704313612 1416438932 /nfs/dbraw/zinc/43/89/32/1416438932.db2.gz JQJNYTIBJVMBPJ-UHFFFAOYSA-N 0 0 349.434 3.339 50 30 EGEARN N#Cc1c(NC(=S)NC(=O)c2ccccc2F)sc2c1CCC2 ZINC000004699732 210251553 /nfs/dbraw/zinc/25/15/53/210251553.db2.gz LRPAQNNWGQIVMV-UHFFFAOYSA-N 0 0 345.424 3.374 50 30 EGEARN N#CCOc1ccccc1/C=C1/S/C(=N/c2ccccc2)NC1=O ZINC000004694913 210250750 /nfs/dbraw/zinc/25/07/50/210250750.db2.gz FOYBTEQJCDIYCP-FOWTUZBSSA-N 0 0 335.388 3.481 50 30 EGEARN C=C(C)COc1ccccc1C(=O)N1CCC[C@H](C(=O)OCC)C1 ZINC000055196921 214287138 /nfs/dbraw/zinc/28/71/38/214287138.db2.gz OAYKMTMMSUZTQR-HNNXBMFYSA-N 0 0 331.412 3.057 50 30 EGEARN CSc1nc2n(n1)[C@@H](c1ccccc1C)C1C(=O)CCCC1=N2 ZINC000004436109 295690090 /nfs/dbraw/zinc/69/00/90/295690090.db2.gz HZHLDOLHJZZZKH-HNNXBMFYSA-N 0 0 326.425 3.330 50 30 EGEARN COc1ccc(C(=O)Cc2nc3cc(Cl)ccc3oc2=O)cc1 ZINC000100166414 219093554 /nfs/dbraw/zinc/09/35/54/219093554.db2.gz WKPWKOUTHGERMM-NTEUORMPSA-N 0 0 329.739 3.446 50 30 EGEARN C=CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccccc1F ZINC000101231822 219120007 /nfs/dbraw/zinc/12/00/07/219120007.db2.gz IEBHQESVSWPCLS-GROYHEBESA-N 0 0 337.350 3.433 50 30 EGEARN COc1ccc(Br)cc1CN=Nc1oc(C)nc1C#N ZINC000004276494 210159705 /nfs/dbraw/zinc/15/97/05/210159705.db2.gz SRKNUFBHOITDKK-FRKPEAEDSA-N 0 0 335.161 3.072 50 30 EGEARN Cc1cc(C)c(C#N)c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1 ZINC000004123364 210126600 /nfs/dbraw/zinc/12/66/00/210126600.db2.gz ZNJWGJJSSXQZJK-UHFFFAOYSA-N 0 0 342.380 3.209 50 30 EGEARN N#Cc1ccc(C(=O)Nc2ccc(-c3nnc4n3CCCC4)cc2)cc1 ZINC000066803064 215080340 /nfs/dbraw/zinc/08/03/40/215080340.db2.gz VIPIPDGZJKHKIN-UHFFFAOYSA-N 0 0 343.390 3.405 50 30 EGEARN COc1cc(/C=N/OC(C)=O)ccc1OC(=O)c1ccc(Cl)cc1 ZINC000067319101 215132347 /nfs/dbraw/zinc/13/23/47/215132347.db2.gz UTFKEQYDEXSAIS-VXLYETTFSA-N 0 0 347.754 3.465 50 30 EGEARN N#Cc1ccccc1C(=O)N1Cc2cnn(Cc3ccc(F)cc3)c2C1 ZINC000067513644 215155944 /nfs/dbraw/zinc/15/59/44/215155944.db2.gz DBJAHGICAGUWKF-UHFFFAOYSA-N 0 0 346.365 3.098 50 30 EGEARN COc1ccc(-c2ccc(C#N)c(=O)n2Cc2cccc(OC)c2)cc1 ZINC000003128357 209968144 /nfs/dbraw/zinc/96/81/44/209968144.db2.gz JUTNRFVXWWDGJY-UHFFFAOYSA-N 0 0 346.386 3.452 50 30 EGEARN COc1ccc2c(c1)[nH]nc2-c1cc(-c2ccn(C)c2)nc(N)c1C#N ZINC000067840780 215226840 /nfs/dbraw/zinc/22/68/40/215226840.db2.gz KUJZHPLTHVSMAC-UHFFFAOYSA-N 0 0 344.378 3.093 50 30 EGEARN CCCNc1ncc(-c2cc(-c3cccc(O)c3)nc(N)c2C#N)cn1 ZINC000067954849 215258955 /nfs/dbraw/zinc/25/89/55/215258955.db2.gz IMLOKKDQKOSUBK-UHFFFAOYSA-N 0 0 346.394 3.187 50 30 EGEARN Cn1ncc(-c2c3c(nc(N)c2C#N)-c2cccc(O)c2C3)c1C1CC1 ZINC000071755262 282816089 /nfs/dbraw/zinc/81/60/89/282816089.db2.gz XFFPEUCIBWNNMR-UHFFFAOYSA-N 0 0 343.390 3.090 50 30 EGEARN C=CCNC1=C(Cl)C(=O)N(c2ccc(Cl)c(Cl)c2)C1=O ZINC000001769074 209791405 /nfs/dbraw/zinc/79/14/05/209791405.db2.gz BEDAXBDTVQIUNZ-UHFFFAOYSA-N 0 0 331.586 3.093 50 30 EGEARN COC(=O)CSc1nc2c(c(-c3ccco3)c1C#N)CCCC2 ZINC000000496294 209635421 /nfs/dbraw/zinc/63/54/21/209635421.db2.gz HJGYUCSGXZMDEW-UHFFFAOYSA-N 0 0 328.393 3.357 50 30 aggregator EGEARN Cc1nnsc1C(=O)Nc1nc(-c2ccc(C#N)cc2)cs1 ZINC000036643815 213106386 /nfs/dbraw/zinc/10/63/86/213106386.db2.gz KQFMVRIGBBJQJS-UHFFFAOYSA-N 0 0 327.394 3.094 50 30 EGEARN COc1ccc(/C=N/n2cnnc2)cc1COc1ccc(Cl)cc1 ZINC000000442894 209602811 /nfs/dbraw/zinc/60/28/11/209602811.db2.gz CWMWTEDMRMQHAR-ZVBGSRNCSA-N 0 0 342.786 3.401 50 30 EGEARN CC/C(=N\NS(=O)(=O)c1ccc(OC)cc1)c1ccc(C)s1 ZINC000000372925 209557414 /nfs/dbraw/zinc/55/74/14/209557414.db2.gz AQPNIRHNNHZBKM-JQIJEIRASA-N 0 0 338.454 3.158 50 30 EGEARN C=CCn1c(=O)c2cnn(-c3ccccc3)c2nc1Cc1ccccc1 ZINC000000127198 209437486 /nfs/dbraw/zinc/43/74/86/209437486.db2.gz QQYJYVHPQFHFBJ-UHFFFAOYSA-N 0 0 342.402 3.359 50 30 EGEARN COCc1cc(C)nc(SCC(=O)Nc2ccccc2)c1C#N ZINC000000058321 209394754 /nfs/dbraw/zinc/39/47/54/209394754.db2.gz BJSRATWPVFVOQM-UHFFFAOYSA-N 0 0 327.409 3.139 50 30 EGEARN CC(C)Nc1ncc(CN2CCC(C#N)(c3ccccc3)CC2)cn1 ZINC000215737670 241143167 /nfs/dbraw/zinc/14/31/67/241143167.db2.gz LEBJOXMMPHGTOZ-UHFFFAOYSA-N 0 0 335.455 3.354 50 30 EGEARN CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccco1 ZINC000020058125 212098531 /nfs/dbraw/zinc/09/85/31/212098531.db2.gz AQNTWVPFUBVYNT-INIZCTEOSA-N 0 0 335.359 3.411 50 30 EGEARN Cc1ccc(CN2CCN(/N=C\c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000019773061 212064906 /nfs/dbraw/zinc/06/49/06/212064906.db2.gz LVTSHKAPFSMDRC-ZHZULCJRSA-N 0 0 338.411 3.055 50 30 EGEARN C=CCNC(=O)c1sc2ncnc(NCc3ccco3)c2c1C ZINC000012037451 211283295 /nfs/dbraw/zinc/28/32/95/211283295.db2.gz LNCLXLUMQAVRLZ-UHFFFAOYSA-N 0 0 328.397 3.121 50 30 EGEARN N#Cc1ccc(OC(=O)c2cc(-c3ccc4c(c3)OCCO4)on2)cc1 ZINC000008830959 211008882 /nfs/dbraw/zinc/00/88/82/211008882.db2.gz WPOPJQTYMSDPJD-UHFFFAOYSA-N 0 0 348.314 3.204 50 30 EGEARN COc1ccc2c(c1)O/C(=C\c1cc(OC)c(OC)c(OC)c1)C2=O ZINC000005960271 210569074 /nfs/dbraw/zinc/56/90/74/210569074.db2.gz GAXLSBBBMDPMSE-CHHVJCJISA-N 0 0 342.347 3.337 50 30 biogenic EGEARN CC(C)CN(CC(C)C)c1ccc(/C=N/n2cnnc2)cc1[N+](=O)[O-] ZINC000005074166 210384631 /nfs/dbraw/zinc/38/46/31/210384631.db2.gz OPBUFPQEQSYUAJ-DNTJNYDQSA-N 0 0 344.419 3.187 50 30 EGEARN O=C(C=Cc1ccccc1)Cc1nc2ccc([N+](=O)[O-])cc2oc1=O ZINC000005061297 210379982 /nfs/dbraw/zinc/37/99/82/210379982.db2.gz JTXVFZKNMFPVBU-GEVRQCGLSA-N 0 0 336.303 3.092 50 30 EGEARN CN1C(=O)C[C@H](C(=O)Nc2ccccc2)S/C1=N\c1ccccc1 ZINC000004897707 210316684 /nfs/dbraw/zinc/31/66/84/210316684.db2.gz SHRXNGRLVPMQQC-MEUCICPISA-N 0 0 339.420 3.277 50 30 EGEARN C=C(C)COc1ccccc1NC(=O)N1CCC(n2cnnc2)CC1 ZINC000097499521 219030876 /nfs/dbraw/zinc/03/08/76/219030876.db2.gz JZSCPUQBHOXIDC-UHFFFAOYSA-N 0 0 341.415 3.102 50 30 EGEARN O=C(CC1=C(c2ccccc2)CCC1=O)NCc1cnc2c(c1)CCC2 ZINC000426548729 257963383 /nfs/dbraw/zinc/96/33/83/257963383.db2.gz DGMVVQQLVQJBRS-UHFFFAOYSA-N 0 0 346.430 3.393 50 30 EGEARN COc1ccc(CN=NC(=S)NCc2ccccc2)cc1OC ZINC000008830261 258053840 /nfs/dbraw/zinc/05/38/40/258053840.db2.gz NVAWHTUQPDSZEV-XDHOZWIPSA-N 0 0 329.425 3.113 50 30 EGEARN CCOC(=O)C1=C(CC)NC2=C(C(=O)CCC2)[C@H]1c1ccncc1 ZINC000004126673 285671843 /nfs/dbraw/zinc/67/18/43/285671843.db2.gz FHRKLHIAJBAWIM-MRXNPFEDSA-N 0 0 326.396 3.003 50 30 EGEARN CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C ZINC000004783551 275499979 /nfs/dbraw/zinc/49/99/79/275499979.db2.gz PUKLDDOGISCFCP-JSQCKWNTSA-N 0 0 344.451 3.017 50 30 in-vitro EGEARN COc1ccc2c(c1)/C(=N/N=C1\C[C@@H](c3ccccc3)N=N1)C(=O)N2C ZINC000013895665 277432815 /nfs/dbraw/zinc/43/28/15/277432815.db2.gz VFGSCKHICGHOHU-TZUSUJKQSA-N 0 0 347.378 3.371 50 30 EGEARN C[C@@H]1CCCC[C@H]1N1CN=C(Nc2nc3ccccc3s2)NC1 ZINC000017014323 277686112 /nfs/dbraw/zinc/68/61/12/277686112.db2.gz FDWGGRWUHUOODU-TZMCWYRMSA-N 0 0 329.473 3.272 50 30 EGEARN Clc1ccc(N2CCN(/N=C\c3ccc4c(c3)OCO4)CC2)cc1 ZINC000005034343 279292054 /nfs/dbraw/zinc/29/20/54/279292054.db2.gz OPNFKHMOTOXEBB-NDENLUEZSA-N 0 0 343.814 3.225 50 30 EGEARN CC1(C)CC(=O)C2=C(C1)Nc1[nH][nH]c(=O)c1[C@@H]2c1ccccc1O ZINC000018195176 280891665 /nfs/dbraw/zinc/89/16/65/280891665.db2.gz YKANEOCZZGTQLO-CYBMUJFWSA-N 0 0 325.368 3.022 50 30 EGEARN S=C(NCc1ccccc1)N/N=C/c1ccccc1Br ZINC000000550980 452619825 /nfs/dbraw/zinc/61/98/25/452619825.db2.gz RPKKZWDGERJUHI-WOJGMQOQSA-N 0 0 348.269 3.447 50 30 EGEARN Cc1nc2c3cc(F)ccc3[nH]c2c(=O)n1/N=C/c1ccccc1F ZINC000000546722 452619850 /nfs/dbraw/zinc/61/98/50/452619850.db2.gz ZRZIIKWEOYRAEW-ZVBGSRNCSA-N 0 0 338.317 3.347 50 30 EGEARN COc1cc(/C=N/c2sc(C)c(C)c2C(N)=O)cc(OC)c1OC ZINC000000561289 452623781 /nfs/dbraw/zinc/62/37/81/452623781.db2.gz OUTFLHZKMAJHTD-UFWORHAWSA-N 0 0 348.424 3.240 50 30 EGEARN COc1ccc(/C=N/N=C2/SCC(=O)N2Cc2ccccc2)cc1 ZINC000002361273 452696269 /nfs/dbraw/zinc/69/62/69/452696269.db2.gz ATJSODNVWMWSLM-DSTXHIGZSA-N 0 0 339.420 3.161 50 30 EGEARN Cc1cc(C)n(C[C@H](O)CON=C2c3ccccc3-c3ccccc32)n1 ZINC000002700753 452714355 /nfs/dbraw/zinc/71/43/55/452714355.db2.gz WSQCTKNNHMKFGF-INIZCTEOSA-N 0 0 347.418 3.310 50 30 EGEARN N#Cc1cnc2nc(SCc3cccc(C(F)(F)F)c3)nn2c1 ZINC000003118862 452744669 /nfs/dbraw/zinc/74/46/69/452744669.db2.gz SXLLWLVLLYQXOO-UHFFFAOYSA-N 0 0 335.314 3.307 50 30 EGEARN O=[N+]([O-])c1cccc(/C=N\N2CCN(c3ccc(Cl)cc3)CC2)c1 ZINC000005024407 452832740 /nfs/dbraw/zinc/83/27/40/452832740.db2.gz GCDNRXNIYPHICA-UYRXBGFRSA-N 0 0 344.802 3.404 50 30 EGEARN O=c1cn[nH]c(=S)n1N=Cc1c(Cl)ccc(Cl)c1Cl ZINC000005182329 452841719 /nfs/dbraw/zinc/84/17/19/452841719.db2.gz NQMAUYUKFZZCCQ-CRKCGEKBSA-N 0 0 335.603 3.143 50 30 EGEARN CN(C)/C=N/c1nc2nccc(/C=C\c3ccc(Cl)cc3)n2n1 ZINC000005197828 452845538 /nfs/dbraw/zinc/84/55/38/452845538.db2.gz CPPQUEYLHSJSAD-UTZWAQRMSA-N 0 0 326.791 3.170 50 30 EGEARN N/N=C(\c1ccc([N+](=O)[O-])cc1)c1ncc(C(F)(F)F)cc1Cl ZINC000005512905 452880362 /nfs/dbraw/zinc/88/03/62/452880362.db2.gz IBCIESJDAALVFR-RGVLZGJSSA-N 0 0 344.680 3.373 50 30 EGEARN CC[C@@]12OC(=N)[C@@](C#N)([C@H]1C)C(C#N)(C#N)[C@H](c1ccc(C)cc1)O2 ZINC000005908363 452910220 /nfs/dbraw/zinc/91/02/20/452910220.db2.gz PSEFZTALOJAXRE-ALQDCCJHSA-N 0 0 334.379 3.360 50 30 EGEARN CC1(C)Cc2c(C#N)c(NC(=O)NCc3ccco3)sc2CO1 ZINC000006662282 452964285 /nfs/dbraw/zinc/96/42/85/452964285.db2.gz XDOSWFFXBWTREZ-UHFFFAOYSA-N 0 0 331.397 3.386 50 30 EGEARN CSc1nc2n(n1)[C@@H](c1ccccn1)C1C(=O)CC(C)(C)CC1=N2 ZINC000013123865 453447300 /nfs/dbraw/zinc/44/73/00/453447300.db2.gz KYGPMPOOLOOFDG-AWEZNQCLSA-N 0 0 341.440 3.053 50 30 EGEARN COc1ccnc(NC=NOCc2ccc(F)cc2Cl)c1C#N ZINC000013142621 453449561 /nfs/dbraw/zinc/44/95/61/453449561.db2.gz YTURUSGWFMBDPX-UHFFFAOYSA-N 0 0 334.738 3.136 50 30 EGEARN CCc1ccc(/C=C2\Oc3cc(OCC(=O)OC)ccc3C2=O)cc1 ZINC000013656395 453477838 /nfs/dbraw/zinc/47/78/38/453477838.db2.gz DMMROIHIANIAQT-ZDLGFXPLSA-N 0 0 338.359 3.417 50 30 EGEARN Cc1csc(C2=C(N)N(c3cc(Cl)cc(Cl)c3)CC2=O)n1 ZINC000013693294 453481636 /nfs/dbraw/zinc/48/16/36/453481636.db2.gz HVUWKCXHMKPOLL-UHFFFAOYSA-N 0 0 340.235 3.475 50 30 EGEARN COC(=O)c1ccc(/C=C2\Oc3cc(OC(C)=O)ccc3C2=O)cc1 ZINC000013769856 453489295 /nfs/dbraw/zinc/48/92/95/453489295.db2.gz RXQLZNYQRHIOSV-MFOYZWKCSA-N 0 0 338.315 3.015 50 30 biogenic EGEARN Cc1ccc(O)c([C@H]2c3c(=O)[nH][nH]c3NC3=C2C(=O)c2ccccc23)c1 ZINC000018196218 453647568 /nfs/dbraw/zinc/64/75/68/453647568.db2.gz GHFONLVPGTTXLS-CQSZACIVSA-N 0 0 345.358 3.294 50 30 EGEARN CC(C)c1nc(C#N)c(NC[C@@H](c2cccs2)N2CCOCC2)o1 ZINC000027794103 453820463 /nfs/dbraw/zinc/82/04/63/453820463.db2.gz CFZNNSLJDNRSMH-AWEZNQCLSA-N 0 0 346.456 3.217 50 30 EGEARN CC(=O)/N=C1\NC(=O)/C(=C\c2ccc(-c3ccc(F)cc3F)o2)S1 ZINC000033295178 453913419 /nfs/dbraw/zinc/91/34/19/453913419.db2.gz MFUQWIWIAJSSOH-VGOFMYFVSA-N 0 0 348.330 3.331 50 30 EGEARN N#Cc1cccnc1N1CCC[C@@](CO)(Cc2cccc(Cl)c2)C1 ZINC000067757086 453963503 /nfs/dbraw/zinc/96/35/03/453963503.db2.gz DZYWGLQVADDMPZ-LJQANCHMSA-N 0 0 341.842 3.428 50 30 EGEARN N#Cc1ccc(-c2nc([C@H]3CC(=O)N(c4ccc(F)cc4)C3)no2)cc1 ZINC000044420163 454100838 /nfs/dbraw/zinc/10/08/38/454100838.db2.gz AGSQJIBLFUWXKZ-AWEZNQCLSA-N 0 0 348.337 3.268 50 30 EGEARN CC[C@@H]1CN(c2nc(C)ccc2C#N)CCC(=O)N1Cc1ccccc1 ZINC000071756868 454214619 /nfs/dbraw/zinc/21/46/19/454214619.db2.gz ZPBTYJRPTQSOSO-LJQANCHMSA-N 0 0 348.450 3.279 50 30 EGEARN C=CCSc1nc2c(c(=O)[nH]1)[C@H](c1cc(C)ccc1C)CC(=O)N2 ZINC000096350514 454319422 /nfs/dbraw/zinc/31/94/22/454319422.db2.gz OWQHPHYLRFXLKD-ZDUSSCGKSA-N 0 0 341.436 3.139 50 30 EGEARN C#CCOc1ccc([C@H]2CC(=O)Nc3nc(NC)sc32)cc1OC ZINC000061720653 454352516 /nfs/dbraw/zinc/35/25/16/454352516.db2.gz PULVSAAUXITGIF-LLVKDONJSA-N 0 0 343.408 3.329 50 30 EGEARN N#Cc1c(N)nc2c(c1-c1ccc(-n3cccn3)cc1)N1CCC2CC1 ZINC000101954966 454489459 /nfs/dbraw/zinc/48/94/59/454489459.db2.gz UJPHTVXTDXUCBM-UHFFFAOYSA-N 0 0 342.406 3.086 50 30 EGEARN Cc1cccc(CS(=O)(=O)c2oc(-c3ccccc3)nc2C#N)c1 ZINC000170623807 454943794 /nfs/dbraw/zinc/94/37/94/454943794.db2.gz KDPMPBPKEXDZOT-UHFFFAOYSA-N 0 0 338.388 3.496 50 30 EGEARN COc1ccc(C=NN=Cc2ccc(OC)c(OC)c2)cc1OC ZINC000253776994 455855783 /nfs/dbraw/zinc/85/57/83/455855783.db2.gz DCROUMFSOORFPU-UHFFFAOYSA-N 0 0 328.368 3.174 50 30 EGEARN C[C@@]12CC(=O)[C@@H]3[C@H](CCC4=CC(=O)CC[C@]43C)[C@H]1CCC21OCCO1 ZINC000299804361 456782464 /nfs/dbraw/zinc/78/24/64/456782464.db2.gz XMIPNXQFQQDPBR-SCQOQHIRSA-N 0 0 344.451 3.440 50 30 EGEARN CCn1nccc1/C=C1\CC(C#N)C/C(=C\c2ccnn2CC)C1=O ZINC000585135766 459827958 /nfs/dbraw/zinc/82/79/58/459827958.db2.gz AQTSTMSDTSZRPT-JOBJLJCHSA-N 0 0 335.411 3.089 50 30 EGEARN C=CCN(Cc1ccccc1C)C(=O)c1ccc(-n2cnnc2)cc1 ZINC000055281412 518786170 /nfs/dbraw/zinc/78/61/70/518786170.db2.gz YLRPDFUEQZMYSK-UHFFFAOYSA-N 0 0 332.407 3.404 50 30 EGEARN C=CCOc1cccc(CN(CC)C(=O)c2noc(C)c2COC)c1 ZINC000055243739 519052683 /nfs/dbraw/zinc/05/26/83/519052683.db2.gz RGLPNAZFHOJZIU-UHFFFAOYSA-N 0 0 344.411 3.357 50 30 EGEARN C=CCc1cc(C)ccc1OCCOCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000016247502 519130815 /nfs/dbraw/zinc/13/08/15/519130815.db2.gz PIPKRWKAGGDCBT-HDICACEKSA-N 0 0 333.472 3.228 50 30 EGEARN C=CCc1ccccc1OCCn1c(CNC=O)nc2ccccc21 ZINC000004809921 519145824 /nfs/dbraw/zinc/14/58/24/519145824.db2.gz XUVTXIFHXYIPQT-UHFFFAOYSA-N 0 0 335.407 3.090 50 30 EGEARN CCOc1ccccc1/C=N/N1CCN(c2ccccc2OC)CC1 ZINC000000445820 521447359 /nfs/dbraw/zinc/44/73/59/521447359.db2.gz WVXJTGDVNUVUEB-LTGZKZEYSA-N 0 0 339.439 3.250 50 30 EGEARN CCCC(=NNc1ccc([N+](=O)[O-])cc1)c1cnnc(SC)n1 ZINC000004649442 521658445 /nfs/dbraw/zinc/65/84/45/521658445.db2.gz VIGAGTAIGGASOR-PDGQHHTCSA-N 0 0 332.389 3.118 50 30 EGEARN COc1cccc(C=NN2C(=S)N=NC2COc2ccccc2)c1 ZINC000004900872 525774546 /nfs/dbraw/zinc/77/45/46/525774546.db2.gz HHEOHQUQQYXISD-WOJGMQOQSA-N 0 0 340.408 3.037 50 30 EGEARN COc1cccc(NC(=O)[C@@H](C#N)Cc2ccc(OC)cc2OC)c1 ZINC000057525137 526195275 /nfs/dbraw/zinc/19/52/75/526195275.db2.gz HTGIXGVMKDRDLM-CQSZACIVSA-N 0 0 340.379 3.033 50 30 EGEARN O=C(/C=C/N1CCN(Cc2ccccc2)CC1)C(F)(F)C(F)(F)F ZINC000020405842 527596948 /nfs/dbraw/zinc/59/69/48/527596948.db2.gz DJIVMJNPYCLHPC-VOTSOKGWSA-N 0 0 348.315 3.085 50 30 EGEARN COc1ccc(N2CCN(c3oc(CC(C)C)nc3C#N)CC2)cc1 ZINC000001096513 536703504 /nfs/dbraw/zinc/70/35/04/536703504.db2.gz LJRBYLBFJJZAOK-UHFFFAOYSA-N 0 0 340.427 3.080 50 30 EGEARN CC(N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1[N+](=O)[O-] ZINC000110450937 1293097261 /nfs/dbraw/zinc/09/72/61/1293097261.db2.gz DOQRHSSSQVCVQK-OQLLNIDSSA-N 0 0 345.271 3.247 50 30 EGEARN C=C(C)COc1ccc(C(=O)Nc2ccccc2-c2nn[nH]n2)cc1 ZINC000142645970 1293861106 /nfs/dbraw/zinc/86/11/06/1293861106.db2.gz MPDIVWAICMFEPI-UHFFFAOYSA-N 0 0 335.367 3.074 50 30 EGEARN O=C(OCc1ccccc1)[C@@H]1CC/C(=N\OCc2ccccc2)CN1 ZINC000216174650 1296119655 /nfs/dbraw/zinc/11/96/55/1296119655.db2.gz AWQXWHGUAORNIK-HXTJDARSSA-N 0 0 338.407 3.055 50 30 EGEARN CC(=O)C(=NNc1ccccc1)NNc1ccc(Br)cc1 ZINC000004520449 210212241 /nfs/dbraw/zinc/21/22/41/210212241.db2.gz FRDBUTMZDOXXHY-UHFFFAOYSA-N 0 0 347.216 3.380 50 30 EGEARN N#CC(=NNc1ccc2c(c1)OCCO2)c1nc2ccccc2s1 ZINC000004387635 210186467 /nfs/dbraw/zinc/18/64/67/210186467.db2.gz LBKVCGXORWYEJZ-FYJGNVAPSA-N 0 0 336.376 3.407 50 30 EGEARN Cn1nc(C(F)(F)F)c(C=NNc2ccc([N+](=O)[O-])cc2)c1Cl ZINC000004284955 210161410 /nfs/dbraw/zinc/16/14/10/210161410.db2.gz KVSWJIZIGAEKCP-UBKPWBPPSA-N 0 0 347.684 3.447 50 30 EGEARN CC(C)(C)c1ccc(/C(=N\O)N[C@@H](O)C(Cl)(Cl)Cl)cc1 ZINC000004280845 210161536 /nfs/dbraw/zinc/16/15/36/210161536.db2.gz HDLUQWIUNMLYAN-NSHDSACASA-N 0 0 339.650 3.398 50 30 EGEARN COc1ccc(OC)c(NC(=O)Cn2cc(C#N)c3ccccc32)c1 ZINC000002876789 209933252 /nfs/dbraw/zinc/93/32/52/209933252.db2.gz PYBPYWDWNADOLD-UHFFFAOYSA-N 0 0 335.363 3.169 50 30 EGEARN N#Cc1cccnc1N1CCC(CO)(CCOc2ccccc2)CC1 ZINC000067983562 215268138 /nfs/dbraw/zinc/26/81/38/215268138.db2.gz XGXPKKHKSJIWGF-UHFFFAOYSA-N 0 0 337.423 3.001 50 30 EGEARN C=CCNC(=O)/C(=C/c1ccc(C)cc1)NC(=O)c1ccc(C)cc1 ZINC000002677853 209890329 /nfs/dbraw/zinc/89/03/29/209890329.db2.gz NQTSNJKBUDWLSW-RGEXLXHISA-N 0 0 334.419 3.377 50 30 EGEARN COc1ccc(CN2C(=O)[C@@H](C)S/C2=N\N=C\c2ccco2)cc1 ZINC000002357220 209844447 /nfs/dbraw/zinc/84/44/47/209844447.db2.gz PIDCDZDAANTFJH-BYOFMXEESA-N 0 0 343.408 3.142 50 30 EGEARN COC(=O)C1C(C)=Nc2sc(C#N)c(N)c2[C@H]1c1cccs1 ZINC000009303705 290924880 /nfs/dbraw/zinc/92/48/80/290924880.db2.gz LLJQEDQKUZLXAI-NSHDSACASA-N 0 0 331.422 3.268 50 30 EGEARN N#Cc1ccc([C@@H]2CC(=O)Nc3c2ncn3-c2ccc(F)cc2)cc1 ZINC000036357283 213089023 /nfs/dbraw/zinc/08/90/23/213089023.db2.gz UVZXADANCTXZGR-INIZCTEOSA-N 0 0 332.338 3.357 50 30 EGEARN CC(=O)c1cc(C#N)c(SCC(=O)OCc2ccccc2)nc1C ZINC000000050050 209390933 /nfs/dbraw/zinc/39/09/33/209390933.db2.gz KPXCNJCJBSCDPD-UHFFFAOYSA-N 0 0 340.404 3.300 50 30 EGEARN C=CCOC(=O)[C@H]1CC=CC[C@@H]1C(=O)OCc1ccc(F)cc1F ZINC000023279732 212365879 /nfs/dbraw/zinc/36/58/79/212365879.db2.gz TVWMSLAJFYBAJH-GJZGRUSLSA-N 0 0 336.334 3.320 50 30 EGEARN CC(C[C@@]1(O)c2ccccc2NC1=O)N=Nc1cccc2cccnc21 ZINC000022342678 212292448 /nfs/dbraw/zinc/29/24/48/212292448.db2.gz BCRPQKQWGRZSBN-VMHRPQTGSA-N 0 0 346.390 3.253 50 30 EGEARN COC(=O)c1ccc(NN=Cc2coc3ccc(C)cc3c2=O)cc1 ZINC000019923606 212084631 /nfs/dbraw/zinc/08/46/31/212084631.db2.gz GANYCKFFUUKGRD-KEBDBYFISA-N 0 0 336.347 3.334 50 30 EGEARN CN(C)C(=O)Cn1ccc(-c2cccc(-c3ccc(C#N)cc3)c2)n1 ZINC000019227400 212006648 /nfs/dbraw/zinc/00/66/48/212006648.db2.gz JGHSHXZMZNROSS-UHFFFAOYSA-N 0 0 330.391 3.177 50 30 EGEARN O=C(CC1=C(c2ccccc2)CCC1=O)N1Cc2ccccc2[C@H](O)C1 ZINC000082099317 217466308 /nfs/dbraw/zinc/46/63/08/217466308.db2.gz SBJPBGUCBBISMD-OAQYLSRUSA-N 0 0 347.414 3.269 50 30 EGEARN COCc1cc(C)nc(SCC(=O)N[C@H]2CCCC[C@H]2C)c1C#N ZINC000013281412 211540990 /nfs/dbraw/zinc/54/09/90/211540990.db2.gz NHUJFAZBBCPFKE-WBMJQRKESA-N 0 0 347.484 3.195 50 30 EGEARN COc1cc(C=NNc2ccc([N+](=O)[O-])cc2)cc(OC)c1OC ZINC000012403588 211368648 /nfs/dbraw/zinc/36/86/48/211368648.db2.gz BKTYVPCKKUIMQV-LICLKQGHSA-N 0 0 331.328 3.067 50 30 EGEARN C=CCN1C(=O)/C(=C\c2cc3c(cc2Cl)OCO3)SC1=S ZINC000012343668 211351918 /nfs/dbraw/zinc/35/19/18/211351918.db2.gz LFBGWFPHZLXAQO-LFYBBSHMSA-N 0 0 339.825 3.456 50 30 EGEARN CCCC[C@H](CC)C(=O)Nc1c(C#N)cnn1-c1nc(C)cc(C)n1 ZINC000009698306 211116959 /nfs/dbraw/zinc/11/69/59/211116959.db2.gz GKKLDLBIFYZVJW-AWEZNQCLSA-N 0 0 340.431 3.306 50 30 EGEARN Cc1cs/c(=N\N=C\c2ccc(OCc3ccccc3)cc2)n1N ZINC000004833346 210291772 /nfs/dbraw/zinc/29/17/72/210291772.db2.gz WPUHMIMHSXHULG-HVFCYKRDSA-N 0 0 338.436 3.086 50 30 EGEARN C=CCOc1ccccc1NC(=O)N[C@@H](C)c1nncn1CCC ZINC000097551212 219034634 /nfs/dbraw/zinc/03/46/34/219034634.db2.gz ISRLBBWLOSIZAI-ZDUSSCGKSA-N 0 0 329.404 3.136 50 30 EGEARN CCOc1cc(C=NNc2cc(=O)n(C)c3ccccc23)ccc1O ZINC000004806992 210281966 /nfs/dbraw/zinc/28/19/66/210281966.db2.gz CJVLFWCDHXWMON-UDWIEESQSA-N 0 0 337.379 3.089 50 30 EGEARN C=CCOC(=O)/C(=C\c1ccco1)NC(=O)c1ccccc1Cl ZINC000004794922 210280128 /nfs/dbraw/zinc/28/01/28/210280128.db2.gz OVKBUTCETXUPCM-RVDMUPIBSA-N 0 0 331.755 3.433 50 30 EGEARN O=C1c2ccccc2/C(=N\S(=O)(=O)c2cccs2)C=C1Cl ZINC000100823096 296439389 /nfs/dbraw/zinc/43/93/89/296439389.db2.gz IMMAGUZUMIZEEC-VBKFSLOCSA-N 0 0 337.809 3.245 50 30 EGEARN Cc1csc([C@H](C)CNC(=O)c2cccc(C#CC(C)(C)O)c2)n1 ZINC000299798636 258006047 /nfs/dbraw/zinc/00/60/47/258006047.db2.gz TYMOFGHPMKGRGD-CYBMUJFWSA-N 0 0 342.464 3.107 50 30 EGEARN Clc1ccc(OCCOc2ccccc2)c(/C=N/n2cnnc2)c1 ZINC000002829849 258050201 /nfs/dbraw/zinc/05/02/01/258050201.db2.gz RTUQXQAFNIERRZ-SRZZPIQSSA-N 0 0 342.786 3.272 50 30 EGEARN C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)C=C[C@@]43C)[C@H]1CC[C@H]2C(=O)CO ZINC000257346380 258073683 /nfs/dbraw/zinc/07/36/83/258073683.db2.gz ZDYFFPNLCUDFDB-ZSPTZRBXSA-N 0 0 328.452 3.472 50 30 EGEARN CC(C)(C)C(=O)C#Cc1ccc2c(c1N)C(=O)c1ccccc1C2=O ZINC000004623866 275508921 /nfs/dbraw/zinc/50/89/21/275508921.db2.gz ZXQAYVWEYFIIMK-UHFFFAOYSA-N 0 0 331.371 3.011 50 30 EGEARN COc1ccc([C@@H]2[C@H](C(C)C)C(=O)CC(C#N)(C#N)C2(C#N)C#N)cc1 ZINC000000506978 295232310 /nfs/dbraw/zinc/23/23/10/295232310.db2.gz ROFNYPZDFRHARM-QZTJIDSGSA-N 0 0 346.390 3.091 50 30 EGEARN OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F ZINC000048520671 304822217 /nfs/dbraw/zinc/82/22/17/304822217.db2.gz BYKNGMLDSIEFFG-UHFFFAOYSA-N 0 0 332.084 3.420 50 30 EGEARN CC[C@@H](Sc1nc(C)cc(C)c1C#N)C(=O)Nc1cc(C)on1 ZINC000000090729 452504231 /nfs/dbraw/zinc/50/42/31/452504231.db2.gz XVPHEPFXSOOTFW-CYBMUJFWSA-N 0 0 330.413 3.376 50 30 EGEARN C[C@H]1CN(c2oc(COc3ccc(Cl)cc3)nc2C#N)C[C@H](C)O1 ZINC000000108716 452511128 /nfs/dbraw/zinc/51/11/28/452511128.db2.gz LDWGQSSRGZBPHO-RYUDHWBXSA-N 0 0 347.802 3.392 50 30 EGEARN N#Cc1c(NC(=O)[C@@H]2COc3ccccc3O2)sc2c1CCCC2 ZINC000000138389 452516730 /nfs/dbraw/zinc/51/67/30/452516730.db2.gz GPFCCUGOPORAEN-HNNXBMFYSA-N 0 0 340.404 3.277 50 30 EGEARN CCOC(=O)[C@@H](C#N)[C@]1(c2ccccc2OC)CCOC(C)(C)C1 ZINC000000206899 452535424 /nfs/dbraw/zinc/53/54/24/452535424.db2.gz JKYAQPBLKAVSMJ-DNVCBOLYSA-N 0 0 331.412 3.225 50 30 EGEARN Cc1ccc(-n2c(N)c(C#N)c(-c3ccccc3)c(C#N)c2=O)cc1 ZINC000000343710 452567898 /nfs/dbraw/zinc/56/78/98/452567898.db2.gz DWDWEGGEKMILES-UHFFFAOYSA-N 0 0 326.359 3.138 50 30 EGEARN C=C(C)Cn1c(SC)nc2ccc(Br)cc2c1=O ZINC000000537691 452618637 /nfs/dbraw/zinc/61/86/37/452618637.db2.gz DBAOIABEHYHRLC-UHFFFAOYSA-N 0 0 325.231 3.457 50 30 EGEARN N#C[C@@H](Cc1ccncc1)C(=O)Nc1ccc(Br)cc1 ZINC000000419720 452585334 /nfs/dbraw/zinc/58/53/34/452585334.db2.gz KYQDSNKHYIUQIU-GFCCVEGCSA-N 0 0 330.185 3.165 50 30 EGEARN Clc1ccc(N2CCN(/N=C/c3ccc4c(c3)OCO4)CC2)cc1 ZINC000000435662 452591327 /nfs/dbraw/zinc/59/13/27/452591327.db2.gz OPNFKHMOTOXEBB-UDWIEESQSA-N 0 0 343.814 3.225 50 30 EGEARN N#CC(C#N)=c1ccc2c(c1)N1C3=C(CCCC3)C[C@H]3CCCC[C@]31N=2 ZINC000000494033 452608800 /nfs/dbraw/zinc/60/88/00/452608800.db2.gz JFTMWZCGZPOWHG-XMSQKQJNSA-N 0 0 342.446 3.442 50 30 EGEARN COC(=O)c1[nH]c2ccccc2c1C=C1C(=O)c2ccccc2C1=O ZINC000001402200 452662158 /nfs/dbraw/zinc/66/21/58/452662158.db2.gz BIMVRKNWOHDJIA-UHFFFAOYSA-N 0 0 331.327 3.417 50 30 EGEARN FC(F)(F)C(F)(F)C(F)(F)CNc1nc(Cl)nc(Cl)n1 ZINC000002379316 452695750 /nfs/dbraw/zinc/69/57/50/452695750.db2.gz SFKIGTXMFFRXIY-UHFFFAOYSA-N 0 0 347.021 3.423 50 30 EGEARN N#Cc1ccc(NC(=S)N2CCN(c3ccccc3F)CC2)cc1 ZINC000002582319 452705999 /nfs/dbraw/zinc/70/59/99/452705999.db2.gz KKMLDMQVASTLKU-UHFFFAOYSA-N 0 0 340.427 3.216 50 30 EGEARN C=CCOc1ccc(/C=C2\SC(=S)N(CCCOC)C2=O)cc1 ZINC000002674206 452714055 /nfs/dbraw/zinc/71/40/55/452714055.db2.gz HVWOHOWZZAWHAY-QINSGFPZSA-N 0 0 349.477 3.489 50 30 EGEARN N#Cc1ccccc1NC(=O)c1cccn(Cc2cccc(F)c2)c1=O ZINC000005268781 452853411 /nfs/dbraw/zinc/85/34/11/452853411.db2.gz PLOGOSJEVOAXQP-UHFFFAOYSA-N 0 0 347.349 3.160 50 30 EGEARN C=CCC(=S)Nc1nc2c(cc1C(=O)OCC)COC(C)(C)C2 ZINC000006206710 452925288 /nfs/dbraw/zinc/92/52/88/452925288.db2.gz WPWNWAPTNBSACK-UHFFFAOYSA-N 0 0 334.441 3.425 50 30 EGEARN Cc1cc(C(F)(F)F)nc(SCC(=O)NCC(C)C)c1C#N ZINC000006275808 452930827 /nfs/dbraw/zinc/93/08/27/452930827.db2.gz SSONNWAQCRVCCO-UHFFFAOYSA-N 0 0 331.363 3.145 50 30 EGEARN CC(=NNc1nn2cnnc2c2ccccc21)c1ccccc1Cl ZINC000006780409 452985679 /nfs/dbraw/zinc/98/56/79/452985679.db2.gz USWMAYLVXNUHMH-RGVLZGJSSA-N 0 0 336.786 3.189 50 30 EGEARN Cc1cc(=NN=C2C(=O)Nc3ccc([N+](=O)[O-])cc32)[nH]c2ccccc12 ZINC000006912316 453006413 /nfs/dbraw/zinc/00/64/13/453006413.db2.gz OGZIAYIISFFNQU-UHFFFAOYSA-N 0 0 347.334 3.220 50 30 EGEARN CNC(=S)N/N=C/c1cn(Cc2ccc(C)cc2)c2ccccc12 ZINC000008683284 453222284 /nfs/dbraw/zinc/22/22/84/453222284.db2.gz ATMMWZRIJACQRN-SRZZPIQSSA-N 0 0 336.464 3.426 50 30 EGEARN Cc1ccccc1/N=C1/NC(=O)C(Cc2ccccc2[N+](=O)[O-])S1 ZINC000013477815 453467003 /nfs/dbraw/zinc/46/70/03/453467003.db2.gz ZZJKFWRMDZTKAA-OAHLLOKOSA-N 0 0 341.392 3.365 50 30 EGEARN Cc1cc(=O)oc2cc(NC(=S)NCc3cccnc3)ccc12 ZINC000013496784 453468225 /nfs/dbraw/zinc/46/82/25/453468225.db2.gz BXNPDQGOQIWUSR-UHFFFAOYSA-N 0 0 325.393 3.394 50 30 EGEARN COc1cc([C@H]2c3c(C)noc3NC3=C2C(=O)CCC3)ccc1O ZINC000013689863 453482071 /nfs/dbraw/zinc/48/20/71/453482071.db2.gz CUVVQDLJPGQKGB-INIZCTEOSA-N 0 0 326.352 3.262 50 30 EGEARN C[C@@]1(NC(=S)Nc2ccc3ccccc3c2)CCS(=O)(=O)C1 ZINC000013865090 453491830 /nfs/dbraw/zinc/49/18/30/453491830.db2.gz PBYDVOJPMHDHHT-MRXNPFEDSA-N 0 0 334.466 3.115 50 30 EGEARN C=CCCC(=O)N1CC[C@]2(C1)CCCN(Cc1ccc(F)cc1)C2=O ZINC000015078021 453554286 /nfs/dbraw/zinc/55/42/86/453554286.db2.gz VDWUQUDSENNRBG-FQEVSTJZSA-N 0 0 344.430 3.133 50 30 EGEARN CN(C)/C=N/C(=O)c1cc(C(=O)c2ccc(C(C)(C)C)cc2)c[nH]1 ZINC000017918521 453640496 /nfs/dbraw/zinc/64/04/96/453640496.db2.gz JMXVXXYHXWIOOS-CIAFOILYSA-N 0 0 325.412 3.273 50 30 EGEARN CCOc1ccc([C@@H]2c3c(=O)[nH][nH]c3NC3=C2C(=O)CCC3)cc1 ZINC000018195427 453647628 /nfs/dbraw/zinc/64/76/28/453647628.db2.gz NVBCPFATVBHZOI-AWEZNQCLSA-N 0 0 325.368 3.079 50 30 EGEARN O=C1CCCC2=Nc3nnnn3[C@@H](c3ccc(Cl)c(Cl)c3)C12 ZINC000018196057 453647909 /nfs/dbraw/zinc/64/79/09/453647909.db2.gz FHVBLRRUURICFQ-ZDUSSCGKSA-N 0 0 336.182 3.002 50 30 EGEARN COC(=O)c1ccc(NC=C2C(C)=NN(c3ccccc3)C2=O)cc1 ZINC000018251567 453650395 /nfs/dbraw/zinc/65/03/95/453650395.db2.gz UWSSLMUBXJCYBF-RONKMWSCSA-N 0 0 335.363 3.214 50 30 EGEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccnc1 ZINC000019300863 453654929 /nfs/dbraw/zinc/65/49/29/453654929.db2.gz UISSLKINORBWCP-QGZVFWFLSA-N 0 0 340.423 3.249 50 30 EGEARN COc1c2c(cc3c1[C@H]([C@@H](C#N)c1ccccc1)N(C)CC3)OCO2 ZINC000020112969 453662085 /nfs/dbraw/zinc/66/20/85/453662085.db2.gz ZFNRSRSOZRYKBW-YJBOKZPZSA-N 0 0 336.391 3.260 50 30 biogenic EGEARN N#Cc1cc(I)cc(Br)c1F ZINC000036532900 453927903 /nfs/dbraw/zinc/92/79/03/453927903.db2.gz MNSJLMXWCZEFKV-UHFFFAOYSA-N 0 0 325.906 3.064 50 30 EGEARN CCOc1cc([C@@H](C#N)N2CCO[C@H](c3ccccc3)C2)ccc1O ZINC000041194264 453959307 /nfs/dbraw/zinc/95/93/07/453959307.db2.gz HCLZRSWNXNLSIT-XLIONFOSSA-N 0 0 338.407 3.429 50 30 EGEARN O=C1C[C@H](c2ccccc2)N1/N=C/c1cc(Br)ccc1O ZINC000071281379 454203618 /nfs/dbraw/zinc/20/36/18/454203618.db2.gz BEAQWFCNVPZFBD-YFEUJDIGSA-N 0 0 345.196 3.462 50 30 EGEARN COc1ccc(F)cc1-c1cc(-c2c(C)n[nH]c2C)nc(N)c1C#N ZINC000071404192 454206607 /nfs/dbraw/zinc/20/66/07/454206607.db2.gz OORMWWJQKARTDT-UHFFFAOYSA-N 0 0 337.358 3.357 50 30 EGEARN Cc1cc(O)ccc1-c1cc(-c2cc(C#N)n(C)c2)c(C#N)c(N)n1 ZINC000071762691 454215218 /nfs/dbraw/zinc/21/52/18/454215218.db2.gz HEEKHQLAJANBJA-UHFFFAOYSA-N 0 0 329.363 3.094 50 30 EGEARN COc1ccc(NC(=O)N2CCC(c3ccncc3)CC2)cc1C#N ZINC000095531500 454228672 /nfs/dbraw/zinc/22/86/72/454228672.db2.gz KRYIUHDLLWPMFT-UHFFFAOYSA-N 0 0 336.395 3.373 50 30 EGEARN COc1ccc(C(=O)Cc2nc3ccc(C)cc3oc2=O)cc1OC ZINC000100224319 454465172 /nfs/dbraw/zinc/46/51/72/454465172.db2.gz SQAAZZNXBQPNPJ-GXDHUFHOSA-N 0 0 339.347 3.110 50 30 EGEARN CC(C)(C)c1csc([C@H]2CN(c3ccc(C#N)cn3)CCO2)n1 ZINC000065492408 454577594 /nfs/dbraw/zinc/57/75/94/454577594.db2.gz PIFHRDHRNKZKAI-CYBMUJFWSA-N 0 0 328.441 3.285 50 30 EGEARN N#CCCn1ncc2c1ncnc2N1CC=C(c2ccccc2)CC1 ZINC000065520149 454583466 /nfs/dbraw/zinc/58/34/66/454583466.db2.gz MYRVRRZRJJVBJV-UHFFFAOYSA-N 0 0 330.395 3.034 50 30 EGEARN CC[C@H]1c2ccsc2CCN1c1ncnc2c1cnn2CCC#N ZINC000065542865 454588157 /nfs/dbraw/zinc/58/81/57/454588157.db2.gz XXTSQCXYWOJDSS-AWEZNQCLSA-N 0 0 338.440 3.315 50 30 EGEARN C[C@H]1C[C@H]2[C@H]3CC[C@](C)(O)[C@]3(C)C[C@@H](O)[C@@H]2[C@]2(C)CCC(=O)C=C12 ZINC000257357098 455898169 /nfs/dbraw/zinc/89/81/69/455898169.db2.gz LZRQDFQQYIQZLG-IFFLVSEMSA-N 0 0 332.484 3.486 50 30 EGEARN C=CCc1cc(C(=O)N[C@@H](C)c2nc(C(C)C)no2)ccc1OC ZINC000299787752 456781150 /nfs/dbraw/zinc/78/11/50/456781150.db2.gz YAXHNIZXTHNRCM-LBPRGKRZSA-N 0 0 329.400 3.421 50 30 EGEARN CC1=C2C(=NC(=O)[C@H](C#N)[C@H]2c2cccc(Oc3ccccc3)c2)NN1 ZINC000585145674 459829618 /nfs/dbraw/zinc/82/96/18/459829618.db2.gz WSSMPNRMSPVDCQ-SJLPKXTDSA-N 0 0 344.374 3.023 50 30 EGEARN COc1ccc(C(=O)[C@H]2CCCN(c3cccc(C#N)n3)C2)cc1F ZINC000071748156 518147963 /nfs/dbraw/zinc/14/79/63/518147963.db2.gz DRCDKXQLNUACGG-AWEZNQCLSA-N 0 0 339.370 3.200 50 30 EGEARN O=S(=O)(c1ccc(/N=C/c2ccccc2O)cc1)N1CCCCC1 ZINC000000358116 518202851 /nfs/dbraw/zinc/20/28/51/518202851.db2.gz LQQQAWAOPATSTM-XMHGGMMESA-N 0 0 344.436 3.317 50 30 EGEARN C=CCNc1ccccc1C(=O)NCc1cc(-c2cccnc2)no1 ZINC000055309900 518962710 /nfs/dbraw/zinc/96/27/10/518962710.db2.gz LFUVDJKGDBGBMS-UHFFFAOYSA-N 0 0 334.379 3.265 50 30 EGEARN C=CCn1c(CNC(=O)C(C)C)nnc1SCc1cccc(C)c1 ZINC000014992460 519180624 /nfs/dbraw/zinc/18/06/24/519180624.db2.gz SSWLCSJMLTVYFM-UHFFFAOYSA-N 0 0 344.484 3.337 50 30 EGEARN C=CCn1cc(-c2cc(-c3cn(CCC)nc3C)nc(N)c2C#N)cn1 ZINC000071761240 519274448 /nfs/dbraw/zinc/27/44/48/519274448.db2.gz CDHSAMSGGNIQLI-UHFFFAOYSA-N 0 0 347.426 3.167 50 30 EGEARN CCOc1nc2ccccc2nc1[C@H](C#N)C(=O)NC1CCCCC1 ZINC000005451407 521607823 /nfs/dbraw/zinc/60/78/23/521607823.db2.gz AECHQNPMIBMUCP-AWEZNQCLSA-N 0 0 338.411 3.085 50 30 EGEARN Cc1cccc(C(=N)NOC(=O)COc2ccc(C(C)C)cc2)c1 ZINC000006411961 524151135 /nfs/dbraw/zinc/15/11/35/524151135.db2.gz LZRAUWIBQBBWRD-UHFFFAOYSA-N 0 0 326.396 3.361 50 30 EGEARN COc1ccc(O)c(C(=O)/C=C/c2cc(OC)c(OC)cc2OC)c1 ZINC000048057088 524724963 /nfs/dbraw/zinc/72/49/63/524724963.db2.gz UJYJMZRALNAPMM-FNORWQNLSA-N 0 0 344.363 3.323 50 30 EGEARN C[C@H](C(=O)ONC(=N)c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000004985759 526187179 /nfs/dbraw/zinc/18/71/79/526187179.db2.gz CDXHIHQEZNUDKL-JTQLQIEISA-N 0 0 347.758 3.215 50 30 EGEARN N=C(NOC(=O)c1ccccc1CCc1ccccc1)c1ccccn1 ZINC000004832716 526811225 /nfs/dbraw/zinc/81/12/25/526811225.db2.gz WFACQCJAFXWYES-UHFFFAOYSA-N 0 0 345.402 3.344 50 30 EGEARN COc1cccc([C@H]2CCN2C(=O)c2ccc(C#CC(C)(C)O)cc2)c1 ZINC000065526058 546564025 /nfs/dbraw/zinc/56/40/25/546564025.db2.gz VVDUGNCRTUALON-HXUWFJFHSA-N 0 0 349.430 3.405 50 30 EGEARN O=C(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)C(F)(F)F ZINC000059727581 1291915135 /nfs/dbraw/zinc/91/51/35/1291915135.db2.gz KFYNBNPHBSDOAM-UHFFFAOYSA-N 0 0 328.077 3.263 50 30 EGEARN Cc1cc(NC(=O)c2cc(C#N)cn2C)ccc1NC(=O)C(C)(C)C ZINC000826798901 1320405119 /nfs/dbraw/zinc/40/51/19/1320405119.db2.gz WDLKMJDLAOJFJH-UHFFFAOYSA-N 0 0 338.411 3.442 50 30 EGEARN COc1cccc2c1C1(CCN(c3cc(C#N)ccn3)CC1)OCC2 ZINC001704296984 1416432672 /nfs/dbraw/zinc/43/26/72/1416432672.db2.gz BFZGENCINDPXIQ-UHFFFAOYSA-N 0 0 335.407 3.030 50 30 EGEARN C=CCN(Cc1cccc(OCC)c1)C(=O)COc1ccccc1O ZINC000055152929 214279985 /nfs/dbraw/zinc/27/99/85/214279985.db2.gz WCPLIXRUBFKKDR-UHFFFAOYSA-N 0 0 341.407 3.385 50 30 EGEARN CC/N=C1\S/C(=C/c2cc3c(cc2OCC)OCO3)C(=O)N1CC ZINC000004649347 210237617 /nfs/dbraw/zinc/23/76/17/210237617.db2.gz PCRZMYQLIZEGHM-VRXAYQBPSA-N 0 0 348.424 3.126 50 30 EGEARN CSc1nc2n(n1)[C@@H](c1ccc(C)cc1)C1C(=O)CCCC1=N2 ZINC000004436048 295689870 /nfs/dbraw/zinc/68/98/70/295689870.db2.gz ILJYFFOTKAZXKZ-HNNXBMFYSA-N 0 0 326.425 3.330 50 30 EGEARN CSc1nc2n(n1)[C@H](c1ccc(C)cc1)C1C(=O)CCCC1=N2 ZINC000004436045 295690294 /nfs/dbraw/zinc/69/02/94/295690294.db2.gz ILJYFFOTKAZXKZ-OAHLLOKOSA-N 0 0 326.425 3.330 50 30 EGEARN CCCCN1C(=O)[C@@](O)(CC(=O)C=Cc2ccco2)c2ccccc21 ZINC000004554894 210221116 /nfs/dbraw/zinc/22/11/16/210221116.db2.gz IWEIAQWFMZBBRF-CTDFXDFQSA-N 0 0 339.391 3.287 50 30 EGEARN COc1ccc2c(c1)C[C@H](C(=O)Nc1ccc(Cl)cc1)/C(=N/O)O2 ZINC000101278569 219121148 /nfs/dbraw/zinc/12/11/48/219121148.db2.gz FQKODFGIEPSNKT-LVHCJKAXSA-N 0 0 346.770 3.326 50 30 EGEARN Cc1cccc(NC2=C(N3CCOCC3)C(=O)c3ccccc3C2=O)c1 ZINC000004138293 210129922 /nfs/dbraw/zinc/12/99/22/210129922.db2.gz FIJKTAMBZOKNBU-UHFFFAOYSA-N 0 0 348.402 3.030 50 30 EGEARN COc1ccc([S@@](=O)c2ccc(NC(=O)C3CC3)cc2C#N)cc1 ZINC000004084387 210116977 /nfs/dbraw/zinc/11/69/77/210116977.db2.gz MWPXOEJXBHKXOV-DEOSSOPVSA-N 0 0 340.404 3.082 50 30 EGEARN OCC#Cc1ccc(CN2CCc3[nH]c4ccc(F)cc4c3C2)s1 ZINC000067803553 215215583 /nfs/dbraw/zinc/21/55/83/215215583.db2.gz UQKOUFAEJQEADS-UHFFFAOYSA-N 0 0 340.423 3.271 50 30 EGEARN CCc1c(C)sc(NC(=O)c2cc(C(F)(F)F)nn2C)c1C#N ZINC000002747870 209900943 /nfs/dbraw/zinc/90/09/43/209900943.db2.gz IKRGVCLRXFUIJO-UHFFFAOYSA-N 0 0 342.346 3.495 50 30 EGEARN N#Cc1cccc(C(=O)c2cccc(I)c2)c1 ZINC000002392633 209847006 /nfs/dbraw/zinc/84/70/06/209847006.db2.gz JKUXYTLWFOTEFJ-UHFFFAOYSA-N 0 0 333.128 3.394 50 30 EGEARN CC(C)(O)C#Cc1ccc(C(=O)NCc2ccc(Cl)cc2)cc1 ZINC000000444853 209604009 /nfs/dbraw/zinc/60/40/09/209604009.db2.gz RWSAXMOCPJVACD-UHFFFAOYSA-N 0 0 327.811 3.392 50 30 EGEARN COc1c2c(cc(/C=C/C(=O)c3ccccc3F)c1OC)OCO2 ZINC000035324222 213021747 /nfs/dbraw/zinc/02/17/47/213021747.db2.gz LIHSZWJRZBTFEK-BQYQJAHWSA-N 0 0 330.311 3.468 50 30 EGEARN NS(=O)(=O)c1ccc(/N=C/c2ccc(Cl)cc2Cl)cc1 ZINC000000125360 209436816 /nfs/dbraw/zinc/43/68/16/209436816.db2.gz RLSIZVAOKAUXGS-CAOOACKPSA-N 0 0 329.208 3.391 50 30 EGEARN CN(Cc1csc(-c2cccs2)n1)C(=O)c1ccc(C#N)nc1 ZINC000072424651 216214814 /nfs/dbraw/zinc/21/48/14/216214814.db2.gz JVPWQQTWGYGBLR-UHFFFAOYSA-N 0 0 340.433 3.410 50 30 EGEARN C=CCN1CCN(C(=O)c2cc(Br)ccc2Cl)CC1 ZINC000020160951 212108542 /nfs/dbraw/zinc/10/85/42/212108542.db2.gz OSEHVBICQLRFBM-UHFFFAOYSA-N 0 0 343.652 3.046 50 30 EGEARN C=CCn1c2ccccc2nc1-c1cn(Cc2ncccc2C)nn1 ZINC000091663192 218042185 /nfs/dbraw/zinc/04/21/85/218042185.db2.gz ODTOECHZZSZBMO-UHFFFAOYSA-N 0 0 330.395 3.233 50 30 EGEARN C=CC[C@]1(C(=O)[O-])CCC[N@@H+](Cc2ccc(OC)c(COC)c2)C1 ZINC000091829594 218071313 /nfs/dbraw/zinc/07/13/13/218071313.db2.gz KLOJPQFRXJPJHS-IBGZPJMESA-N 0 0 333.428 3.085 50 30 EGEARN CSc1nc2n(n1)[C@@H](c1cccnc1)C1C(=O)CC(C)(C)CC1=N2 ZINC000009015927 211031856 /nfs/dbraw/zinc/03/18/56/211031856.db2.gz HMXCOESTUYXCFL-AWEZNQCLSA-N 0 0 341.440 3.053 50 30 EGEARN C=CCNc1cc(CS(=O)(=O)c2ccc(Cl)cc2)nc(C)n1 ZINC000005423399 210461442 /nfs/dbraw/zinc/46/14/42/210461442.db2.gz AVCQGKNILYNGLN-UHFFFAOYSA-N 0 0 337.832 3.010 50 30 EGEARN CC1(C)CC(=O)C2=C(C1)NC(=O)C[C@@H]2c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004913040 210321141 /nfs/dbraw/zinc/32/11/41/210321141.db2.gz JKPSGLNFOWUWSE-SNVBAGLBSA-N 0 0 348.786 3.495 50 30 EGEARN C=CC/N=C1/S/C(=C/c2cccc([N+](=O)[O-])c2)C(=O)N1CC=C ZINC000004888761 210313663 /nfs/dbraw/zinc/31/36/63/210313663.db2.gz LDNVNTOFDUEHBU-YYFCYBIDSA-N 0 0 329.381 3.239 50 30 EGEARN C=CCOc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000004869806 210308474 /nfs/dbraw/zinc/30/84/74/210308474.db2.gz YBLPFZRFSHRASA-UHFFFAOYSA-N 0 0 328.324 3.421 50 30 EGEARN COc1ccc2[nH]c3c(ncn(/N=C/c4ccc(C)cc4)c3=O)c2c1 ZINC000004837463 210293764 /nfs/dbraw/zinc/29/37/64/210293764.db2.gz SOPSRXORRGGVNZ-UFFVCSGVSA-N 0 0 332.363 3.077 50 30 EGEARN COc1cc(C#N)cc(Cl)c1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000004829035 210290752 /nfs/dbraw/zinc/29/07/52/210290752.db2.gz QQPJYGZVDMLJGA-UHFFFAOYSA-N 0 0 332.699 3.348 50 30 EGEARN C=CCCC(=O)N1CCC[C@@H](CNC(=O)c2ccccc2Cl)C1 ZINC000012031215 258018097 /nfs/dbraw/zinc/01/80/97/258018097.db2.gz DXOZJFJGHCYVBQ-AWEZNQCLSA-N 0 0 334.847 3.275 50 30 EGEARN CCCCOC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCCC1 ZINC000002195671 258049684 /nfs/dbraw/zinc/04/96/84/258049684.db2.gz FROQFDHYSKHDRN-AWEZNQCLSA-N 0 0 338.411 3.180 50 30 EGEARN COc1ccc(-c2nn(C)c3c2/C(=N\O)CC(C)(C)C3)cc1OC ZINC000100302682 286264587 /nfs/dbraw/zinc/26/45/87/286264587.db2.gz KAWXEJCZJCOKMF-NDENLUEZSA-N 0 0 329.400 3.255 50 30 EGEARN COc1cccc([C@@H]2C3C(=O)CCCC3=Nc3nc(SC)nn32)c1 ZINC000004436104 295315086 /nfs/dbraw/zinc/31/50/86/295315086.db2.gz AJKQWKOMCCNNHX-OAHLLOKOSA-N 0 0 342.424 3.031 50 30 EGEARN COc1ccc(N(C(C)=O)c2nc(C)cc(C)c2C#N)c(OC)c1 ZINC000000093581 452506397 /nfs/dbraw/zinc/50/63/97/452506397.db2.gz LEGPVHOKWASUAN-UHFFFAOYSA-N 0 0 325.368 3.272 50 30 EGEARN N#Cc1ccccc1OCC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000000098963 452506968 /nfs/dbraw/zinc/50/69/68/452506968.db2.gz YFVXTZQCVIBZTJ-UHFFFAOYSA-N 0 0 336.269 3.474 50 30 EGEARN CCC[C@@H](C)C1(CC)C(=O)NC(=Nc2ccc(Cl)cc2)NC1=O ZINC000000333823 452565443 /nfs/dbraw/zinc/56/54/43/452565443.db2.gz OVXVZMLCPGYBPM-LLVKDONJSA-N 0 0 335.835 3.406 50 30 EGEARN N#C[C@@H](Cc1cccnc1)C(=O)Nc1ccc(Br)cc1 ZINC000000419718 452585805 /nfs/dbraw/zinc/58/58/05/452585805.db2.gz YYWRHBKOHFMBFD-GFCCVEGCSA-N 0 0 330.185 3.165 50 30 EGEARN C#Cc1cccc(NC(=O)COc2ccc(Br)cc2)c1 ZINC000000467837 452600812 /nfs/dbraw/zinc/60/08/12/452600812.db2.gz IEIMINVIOHNJND-UHFFFAOYSA-N 0 0 330.181 3.448 50 30 EGEARN COc1ccc(Oc2cc(C#N)c(C#N)cc2N2CCOCC2)cc1 ZINC000000556266 452622117 /nfs/dbraw/zinc/62/21/17/452622117.db2.gz DUUFBMDJKSKGAN-UHFFFAOYSA-N 0 0 335.363 3.067 50 30 EGEARN O=S(=O)(N/N=C/c1c(Cl)cccc1Cl)c1ccccc1 ZINC000001617211 452670395 /nfs/dbraw/zinc/67/03/95/452670395.db2.gz GCAWUBBEOBJEDQ-CXUHLZMHSA-N 0 0 329.208 3.306 50 30 EGEARN COc1ccc(NC(=S)N/N=C/c2ccc(N(C)C)cc2)cc1 ZINC000002506454 452702735 /nfs/dbraw/zinc/70/27/35/452702735.db2.gz PXOYWTLNOSMXTP-LDADJPATSA-N 0 0 328.441 3.082 50 30 EGEARN C=CCn1c(COc2cccc3cccnc32)nnc1SCC#N ZINC000002709032 452716385 /nfs/dbraw/zinc/71/63/85/452716385.db2.gz YXNKDKRANKTIRF-UHFFFAOYSA-N 0 0 337.408 3.207 50 30 EGEARN Cc1cccc(C[C@H]2S/C(=N/N=C/c3cccs3)NC2=O)c1 ZINC000005214306 452848015 /nfs/dbraw/zinc/84/80/15/452848015.db2.gz XNAHVTAYDZVMIW-NGWPFTMJSA-N 0 0 329.450 3.221 50 30 EGEARN CCN(CC)c1ccc(/C=N/c2ccc3[nH]c(=O)[nH]c3c2)c(OC)c1 ZINC000005585329 452885953 /nfs/dbraw/zinc/88/59/53/452885953.db2.gz WZYJTVMLFMYHCW-UDWIEESQSA-N 0 0 338.411 3.462 50 30 EGEARN COc1ccc([C@@H]2NC(=S)NC(C)=C2C(C)=O)c2ccccc12 ZINC000005950315 452912555 /nfs/dbraw/zinc/91/25/55/452912555.db2.gz AGTJHYXKFCZKKL-KRWDZBQOSA-N 0 0 326.421 3.230 50 30 EGEARN CCc1ccc(C[C@H]2S/C(=N/N=C/c3ccccc3)NC2=O)cc1 ZINC000006604270 452959078 /nfs/dbraw/zinc/95/90/78/452959078.db2.gz HVPUXTSFDKHTLY-UOBPLZBXSA-N 0 0 337.448 3.413 50 30 EGEARN C=CCn1c(SCC(N)=O)nnc1-c1ccc(Cl)c(Cl)c1 ZINC000006727042 452977182 /nfs/dbraw/zinc/97/71/82/452977182.db2.gz HKMZEUXHVZKDRC-UHFFFAOYSA-N 0 0 343.239 3.015 50 30 EGEARN C[C@@H](CCc1ccccc1)NC(=O)CSc1ncccc1C#N ZINC000007051471 453024350 /nfs/dbraw/zinc/02/43/50/453024350.db2.gz AREZINUIDFEROL-AWEZNQCLSA-N 0 0 325.437 3.183 50 30 EGEARN C#CCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000007544886 453085350 /nfs/dbraw/zinc/08/53/50/453085350.db2.gz VEYYGWMAENCBNB-CQSZACIVSA-N 0 0 333.366 3.329 50 30 EGEARN N#Cc1cccc(C(=O)N2CCN(c3ccccc3Cl)CC2)c1 ZINC000008014908 453150793 /nfs/dbraw/zinc/15/07/93/453150793.db2.gz BBRLQIOKMYBKMH-UHFFFAOYSA-N 0 0 325.799 3.174 50 30 EGEARN COc1cccc(/C=C/c2nc(C#N)c(NCCCn3ccnc3)o2)c1 ZINC000008494523 453208529 /nfs/dbraw/zinc/20/85/29/453208529.db2.gz SGRFAPKWFZGURD-VOTSOKGWSA-N 0 0 349.394 3.424 50 30 EGEARN CCCCCNc1nc(N2CCCC2)c2c(c1C#N)CCN(C)C2 ZINC000013116178 453446711 /nfs/dbraw/zinc/44/67/11/453446711.db2.gz CUDAUFWNWXEKQT-UHFFFAOYSA-N 0 0 327.476 3.143 50 30 EGEARN C=CCN1C(=O)C(=Cc2c[nH]nc2-c2ccccc2)SC1=S ZINC000013115397 453447251 /nfs/dbraw/zinc/44/72/51/453447251.db2.gz DVMPNWJXXGQRGU-LCYFTJDESA-N 0 0 327.434 3.464 50 30 EGEARN CCOC(=O)COc1nc(-c2ccccc2)c2c(c1C#N)CCCC2 ZINC000013691130 453482574 /nfs/dbraw/zinc/48/25/74/453482574.db2.gz PTVSGFXLMBNYKJ-UHFFFAOYSA-N 0 0 336.391 3.441 50 30 EGEARN C#CCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2cccc(C)c2)C1 ZINC000014095088 453505277 /nfs/dbraw/zinc/50/52/77/453505277.db2.gz OAJJILXWGGLLHB-MRXNPFEDSA-N 0 0 329.403 3.498 50 30 EGEARN CCOc1ccc(-c2nc(C#N)c(N3C[C@@H](C)O[C@@H](C)C3)o2)cc1 ZINC000017949195 453640221 /nfs/dbraw/zinc/64/02/21/453640221.db2.gz MRKYPOSHYHJRRX-BETUJISGSA-N 0 0 327.384 3.226 50 30 EGEARN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccc(O)cc1 ZINC000019804866 453659763 /nfs/dbraw/zinc/65/97/63/453659763.db2.gz HMCLRBHPZLXNEX-KRWDZBQOSA-N 0 0 347.370 3.134 50 30 EGEARN N#Cc1nc(-c2ccc(F)cc2)oc1S(=O)(=O)c1ccccc1 ZINC000027663331 453819775 /nfs/dbraw/zinc/81/97/75/453819775.db2.gz CZYJEYLKBFGDBH-UHFFFAOYSA-N 0 0 328.324 3.185 50 30 EGEARN CC(C)c1nc(C#N)c(NC[C@@H](c2ccccc2)N2CCOCC2)o1 ZINC000027748685 453820256 /nfs/dbraw/zinc/82/02/56/453820256.db2.gz YTAKQHNXOFJVAL-KRWDZBQOSA-N 0 0 340.427 3.155 50 30 EGEARN N#Cc1cccc(N2CCC(CO)(CCOc3ccccc3)CC2)n1 ZINC000067805176 453968050 /nfs/dbraw/zinc/96/80/50/453968050.db2.gz DNSLPGZXEXXGGG-UHFFFAOYSA-N 0 0 337.423 3.001 50 30 EGEARN C=CCn1cc(C[N@@H+]2CCC[C@H](c3ccc(C(=O)[O-])cc3)C2)c(C)n1 ZINC000095381272 454200753 /nfs/dbraw/zinc/20/07/53/454200753.db2.gz NEJHDYVDECEXEN-SFHVURJKSA-N 0 0 339.439 3.455 50 30 EGEARN C=CCn1nc(C)c(-c2cc(-c3c(C)n[nH]c3C)nc(N)c2C#N)c1C ZINC000071707843 454210195 /nfs/dbraw/zinc/21/01/95/454210195.db2.gz YYMAWEYXODHIBO-UHFFFAOYSA-N 0 0 347.426 3.209 50 30 EGEARN CCN(Cc1noc(C2CCC2)n1)C(=O)Nc1cccc(C#N)c1 ZINC000095502886 454222534 /nfs/dbraw/zinc/22/25/34/454222534.db2.gz BXKOLAGTGFXXPG-UHFFFAOYSA-N 0 0 325.372 3.263 50 30 EGEARN COc1ccc(C2N=NC(=S)N2N=Cc2ccccc2OC)cc1 ZINC000252429359 455804087 /nfs/dbraw/zinc/80/40/87/455804087.db2.gz HBTRIYCVCVUPAQ-UHFFFAOYSA-N 0 0 340.408 3.133 50 30 EGEARN C=CCN(CC#Cc1ccccc1)Cc1cc2c(cc1OC)OCO2 ZINC000055342247 518744960 /nfs/dbraw/zinc/74/49/60/518744960.db2.gz OIUGFVFEUYVLCH-UHFFFAOYSA-N 0 0 335.403 3.464 50 30 EGEARN C=CCN(Cc1cccc(OC)c1)C(=O)c1cnc(NC(C)C)nc1 ZINC000055368543 518783881 /nfs/dbraw/zinc/78/38/81/518783881.db2.gz NXCWYAURXXHHLI-UHFFFAOYSA-N 0 0 340.427 3.134 50 30 EGEARN C=CCNC(=O)c1ccccc1NC(=O)COc1ccc(Cl)cc1 ZINC000003383982 518940124 /nfs/dbraw/zinc/94/01/24/518940124.db2.gz JCDPYWGLOWCTPH-UHFFFAOYSA-N 0 0 344.798 3.273 50 30 EGEARN C=CCn1c2cc(OC)c(OC)cc2s/c1=N\C(=O)c1ccco1 ZINC000101035630 519260706 /nfs/dbraw/zinc/26/07/06/519260706.db2.gz ZWSXKNBFQSNZKM-ZCXUNETKSA-N 0 0 344.392 3.240 50 30 EGEARN COc1cc(/C=C2/C(=O)ON=C2C)ccc1OC(=O)c1cccs1 ZINC000000070559 521950153 /nfs/dbraw/zinc/95/01/53/521950153.db2.gz ZYEZEFAYGBTETR-XYOKQWHBSA-N 0 0 343.360 3.292 50 30 EGEARN COC(=O)c1ccc(NC=CC(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000000444634 522076095 /nfs/dbraw/zinc/07/60/95/522076095.db2.gz LONYBYOYFHJOSD-ZHACJKMWSA-N 0 0 341.363 3.299 50 30 EGEARN C=C(C)COc1c(CN(C)Cc2nncn2C(C)C)cccc1OC ZINC000055088186 214270988 /nfs/dbraw/zinc/27/09/88/214270988.db2.gz OIUQLEWKLRIKGL-UHFFFAOYSA-N 0 0 344.459 3.455 50 30 EGEARN N#CCN(CC#N)C(=O)CCCOc1ccc(Cl)cc1Cl ZINC000004600129 210230245 /nfs/dbraw/zinc/23/02/45/210230245.db2.gz PUFLFGHKEFBDEP-UHFFFAOYSA-N 0 0 326.183 3.028 50 30 EGEARN O=C(/C=C\c1ccc(I)o1)c1ccncc1 ZINC000004566987 210223084 /nfs/dbraw/zinc/22/30/84/210223084.db2.gz DLNDQZCGGQDJGL-IWQZZHSRSA-N 0 0 325.105 3.175 50 30 EGEARN C=CCn1c2ccccc2nc1N1C(=O)C[C@H](Cc2ccccc2)C1=O ZINC000100490017 219100566 /nfs/dbraw/zinc/10/05/66/219100566.db2.gz RHYPBGIAQHMDKS-INIZCTEOSA-N 0 0 345.402 3.345 50 30 EGEARN O=C1c2ccccc2C(=O)C(NCCc2ccc(F)cc2)=C1Cl ZINC000100738767 219105313 /nfs/dbraw/zinc/10/53/13/219105313.db2.gz HMGFDJBXYCYBGR-UHFFFAOYSA-N 0 0 329.758 3.487 50 30 EGEARN O=C1c2ccccc2C(=O)C(NCc2ccc3c(c2)OCO3)=C1Cl ZINC000100768981 219105772 /nfs/dbraw/zinc/10/57/72/219105772.db2.gz XEEFISACIKFQMX-UHFFFAOYSA-N 0 0 341.750 3.035 50 30 EGEARN C#CCOC[C@H]1CCCN(C(=O)c2cc(Cl)ccc2Cl)C1 ZINC000049031651 213979455 /nfs/dbraw/zinc/97/94/55/213979455.db2.gz NQNKITFPHRMRPL-LBPRGKRZSA-N 0 0 326.223 3.495 50 30 EGEARN CCCCCCCCCCCCOC(=O)/C=C/C(=O)NC(N)=O ZINC000101133788 219117275 /nfs/dbraw/zinc/11/72/75/219117275.db2.gz OUWYXJOKJCFDQF-OUKQBFOZSA-N 0 0 326.437 3.202 50 30 EGEARN C=CCOC(=O)c1c2ccccn2c2c1C(=O)c1ccccc1C2=O ZINC000003635753 210068545 /nfs/dbraw/zinc/06/85/45/210068545.db2.gz TUOQPXOQFSGLJH-UHFFFAOYSA-N 0 0 331.327 3.058 50 30 EGEARN C=CCn1cc(CN2CCc3nc[nH]c3[C@H]2Cc2ccccc2)cn1 ZINC000067713035 215190442 /nfs/dbraw/zinc/19/04/42/215190442.db2.gz AFJBNRJUZYPEHU-LJQANCHMSA-N 0 0 333.439 3.134 50 30 EGEARN COc1ccc(NC(=O)CSc2nc3c(cc2C#N)CCC3)cc1 ZINC000002821193 209921937 /nfs/dbraw/zinc/92/19/37/209921937.db2.gz CULLJLRZKCXSPQ-UHFFFAOYSA-N 0 0 339.420 3.181 50 30 EGEARN Cc1ccc([N+](=O)[O-])cc1/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000002190228 209828610 /nfs/dbraw/zinc/82/86/10/209828610.db2.gz JMCYWGITFABGLF-FRKPEAEDSA-N 0 0 329.268 3.291 50 30 EGEARN CC(O)=C1C(=O)C(=O)N(c2ccccc2)[C@H]1c1ccccc1[N+](=O)[O-] ZINC000000450237 209608428 /nfs/dbraw/zinc/60/84/28/209608428.db2.gz CPIOJOZJRHKMMA-INIZCTEOSA-N 0 0 338.319 3.084 50 30 EGEARN O=S(=O)(N/N=C/c1cccc(Cl)c1Cl)c1ccccc1 ZINC000000439212 209600028 /nfs/dbraw/zinc/60/00/28/209600028.db2.gz JTJVMOCEZVLZOX-CXUHLZMHSA-N 0 0 329.208 3.306 50 30 EGEARN N#Cc1ccc(C[NH+]2CCC(Oc3ccccc3)(C(=O)[O-])CC2)cc1 ZINC000072421079 216208852 /nfs/dbraw/zinc/20/88/52/216208852.db2.gz FVPQLQPKRWOTDC-UHFFFAOYSA-N 0 0 336.391 3.056 50 30 EGEARN C=CCOC(=O)[C@@H]1CC=CC[C@@H]1C(=O)OCc1ccc(F)cc1F ZINC000023279738 212366871 /nfs/dbraw/zinc/36/68/71/212366871.db2.gz TVWMSLAJFYBAJH-CABCVRRESA-N 0 0 336.334 3.320 50 30 EGEARN N#Cc1cc2c(N)c(C(=O)c3ccc(Cl)cc3)sc2nc1N ZINC000021964241 212265908 /nfs/dbraw/zinc/26/59/08/212265908.db2.gz UPSLVWISNJZPLH-UHFFFAOYSA-N 0 0 328.784 3.217 50 30 EGEARN N#Cc1ccccc1-c1nc([C@]2(c3ccc(F)cc3)CCOC2)no1 ZINC000020866155 212178640 /nfs/dbraw/zinc/17/86/40/212178640.db2.gz IIDYSCHLZQBFNI-LJQANCHMSA-N 0 0 335.338 3.454 50 30 EGEARN C#CCN(CC=C)Cc1nc(-c2ccc(OC)cc2OC)oc1C ZINC000020599858 212151656 /nfs/dbraw/zinc/15/16/56/212151656.db2.gz DXCCXEHYCMMOOG-UHFFFAOYSA-N 0 0 326.396 3.288 50 30 EGEARN Cc1ccc(CN2CCN(/N=C/c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000020171974 212109492 /nfs/dbraw/zinc/10/94/92/212109492.db2.gz RUTRRWUAQQIVOZ-XSFVSMFZSA-N 0 0 338.411 3.055 50 30 EGEARN CSc1nc(NC[C@@H](C)O)c(C#N)c(-c2ccc(Cl)cc2)n1 ZINC000019820542 212072145 /nfs/dbraw/zinc/07/21/45/212072145.db2.gz AKBWJEHYWSKKPN-SECBINFHSA-N 0 0 334.832 3.183 50 30 EGEARN O=C(CN1CCCCC1)Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000019818018 212071898 /nfs/dbraw/zinc/07/18/98/212071898.db2.gz BBYDGROCUMXZEJ-UHFFFAOYSA-N 0 0 347.400 3.187 50 30 EGEARN Cc1nc(SCC(=O)Nc2[nH]c(C)c(C)c2C#N)[nH]c1CC(C)C ZINC000012372021 211359445 /nfs/dbraw/zinc/35/94/45/211359445.db2.gz CXGOMQOBNSBTSV-UHFFFAOYSA-N 0 0 345.472 3.464 50 30 EGEARN Cc1sc(NC(=O)[C@H](C)Sc2cc(C)ncn2)c(C#N)c1C ZINC000012000670 211277145 /nfs/dbraw/zinc/27/71/45/211277145.db2.gz CDOKYDVZPADWBM-NSHDSACASA-N 0 0 332.454 3.454 50 30 EGEARN C=C(C)CSc1nnc(-c2cc(-c3ccc(C)cc3)[nH]n2)n1N ZINC000009089270 211039175 /nfs/dbraw/zinc/03/91/75/211039175.db2.gz BYYXESRJQKQIDB-UHFFFAOYSA-N 0 0 326.429 3.026 50 30 EGEARN CCCC[C@H](CC)C[NH2+][C@H](CC(=O)Nc1ccccc1C#N)C(=O)[O-] ZINC000005258650 210427541 /nfs/dbraw/zinc/42/75/41/210427541.db2.gz RSEBVPJDKDUCLR-WMLDXEAASA-N 0 0 345.443 3.146 50 30 EGEARN COc1cc(CN=Nc2ncnc3sc(C)c(C)c32)ccc1O ZINC000005068448 210381932 /nfs/dbraw/zinc/38/19/32/210381932.db2.gz NNLMVBUVYYCUBK-FBCYGCLPSA-N 0 0 328.397 3.468 50 30 EGEARN CCc1ccc(NC(=O)[C@H]2CCCN2/C=C/C(=O)C(F)(F)F)cc1 ZINC000004971905 210345593 /nfs/dbraw/zinc/34/55/93/210345593.db2.gz SHGLZTZXMMQTTB-CFRMROPGSA-N 0 0 340.345 3.297 50 30 EGEARN CNC(=NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000004993481 210353002 /nfs/dbraw/zinc/35/30/02/210353002.db2.gz NPLLYLBIWKSOLX-UHFFFAOYSA-N 0 0 343.235 3.348 50 30 EGEARN C=CCOC(=O)[C@H](C#N)c1nc2ccccc2nc1N(CC=C)CC=C ZINC000004933494 210327873 /nfs/dbraw/zinc/32/78/73/210327873.db2.gz HNAJQBAMZPKEEZ-OAHLLOKOSA-N 0 0 348.406 3.145 50 30 EGEARN C=CCN1c2ccccc2[C@](O)(CC(=O)c2ccccc2Cl)C1=O ZINC000004784389 210277609 /nfs/dbraw/zinc/27/76/09/210277609.db2.gz RQUKJOBHUCXPFK-LJQANCHMSA-N 0 0 341.794 3.333 50 30 EGEARN CCSC1=N/C(=C\c2ccc(OC)c(OC)c2OC)C(=O)S1 ZINC000004755211 210271795 /nfs/dbraw/zinc/27/17/95/210271795.db2.gz DTZXPXYEKDAODK-NTMALXAHSA-N 0 0 339.438 3.436 50 30 EGEARN C=CCn1nnc(NC(=O)c2ccc(-c3ccc(F)c(Cl)c3)o2)n1 ZINC000010148865 258018199 /nfs/dbraw/zinc/01/81/99/258018199.db2.gz UWVQFIGWHUXRAO-UHFFFAOYSA-N 0 0 347.737 3.164 50 30 EGEARN N#Cc1cn(CC(=O)NC2CCCC2)c2ccc(Br)cc12 ZINC000000555391 452619729 /nfs/dbraw/zinc/61/97/29/452619729.db2.gz ZUXOHTUACHYDAC-UHFFFAOYSA-N 0 0 346.228 3.334 50 30 EGEARN CCOc1ccc([C@H]2CC(=O)OC3=C2C(=O)c2ccccc2C3=O)cc1 ZINC000100207086 276376753 /nfs/dbraw/zinc/37/67/53/276376753.db2.gz CWASPBAFJDHLFF-MRXNPFEDSA-N 0 0 348.354 3.449 50 30 EGEARN C=CCOC(=O)C1=C(C)N=C2S[C@H](C)C(=O)N2[C@H]1c1ccccc1 ZINC000002463598 276903972 /nfs/dbraw/zinc/90/39/72/276903972.db2.gz RCILNRDSPVBPFY-DOMZBBRYSA-N 0 0 342.420 3.064 50 30 EGEARN CC(C)N1/C(=C\c2ccccc2O)C(=O)c2ccccc2S1(=O)=O ZINC000008991264 277576017 /nfs/dbraw/zinc/57/60/17/277576017.db2.gz XGMXMMJFUWKJCB-PTNGSMBKSA-N 0 0 343.404 3.029 50 30 EGEARN Cc1ccc([C@@H]2C(C(N)=S)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000100684229 301723482 /nfs/dbraw/zinc/72/34/82/301723482.db2.gz CJKSMIXGEGEQGJ-AWEZNQCLSA-N 0 0 342.464 3.208 50 30 EGEARN COc1ccc(C2N=NC(=S)N2N=Cc2sccc2C)cc1 ZINC000239046349 455260241 /nfs/dbraw/zinc/26/02/41/455260241.db2.gz FOQNPVOBKUGBEX-UHFFFAOYSA-N 0 0 330.438 3.495 50 30 EGEARN COc1ccc(C=NN2CCN(Cc3ccc(C)cc3C)CC2)cc1 ZINC000244724441 455275695 /nfs/dbraw/zinc/27/56/95/455275695.db2.gz MUGGWZWSKYDPAD-UHFFFAOYSA-N 0 0 337.467 3.464 50 30 EGEARN Cc1nn(C)cc1/C=N/NC(=S)Nc1ccc(Cl)c(Cl)c1 ZINC000000124538 452513801 /nfs/dbraw/zinc/51/38/01/452513801.db2.gz LHQSADXXCBEEAX-OMCISZLKSA-N 0 0 342.255 3.356 50 30 EGEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(C)o1 ZINC000000194911 452531231 /nfs/dbraw/zinc/53/12/31/452531231.db2.gz NUNWMAFEZAJIBX-KRWDZBQOSA-N 0 0 329.396 3.365 50 30 EGEARN CC(C)OC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccccc1F ZINC000000377710 452573697 /nfs/dbraw/zinc/57/36/97/452573697.db2.gz DWMJSBVOVPMWER-OAHLLOKOSA-N 0 0 345.370 3.069 50 30 EGEARN C[C@H]1CCc2c(C#N)c(NC(=O)/C=C/c3cnn(C)c3)sc2C1 ZINC000000375833 452574595 /nfs/dbraw/zinc/57/45/95/452574595.db2.gz BPFOCGKULYXCBI-MALLOTDXSA-N 0 0 326.425 3.130 50 30 EGEARN N#Cc1c(N)n(CCc2ccc(F)cc2)c2nc3ccccc3nc12 ZINC000000390247 452578018 /nfs/dbraw/zinc/57/80/18/452578018.db2.gz MLRFWAUKRGIPTK-UHFFFAOYSA-N 0 0 331.354 3.420 50 30 EGEARN C=CCn1nc(Br)c(Br)c1Br ZINC000000398361 452579636 /nfs/dbraw/zinc/57/96/36/452579636.db2.gz NITNUVUFMWIPFK-UHFFFAOYSA-N 0 0 344.832 3.357 50 30 EGEARN O=S(=O)(N/N=C/c1cccc(Cl)c1)c1ccc(Cl)cc1 ZINC000000442002 452592947 /nfs/dbraw/zinc/59/29/47/452592947.db2.gz XQQYGLAMRBOGNF-CXUHLZMHSA-N 0 0 329.208 3.306 50 30 EGEARN CCc1ccc(/C=N/NS(=O)(=O)c2ccc(Cl)cc2)s1 ZINC000000442321 452593377 /nfs/dbraw/zinc/59/33/77/452593377.db2.gz JUTRSVJNUQQDHL-OQLLNIDSSA-N 0 0 328.846 3.276 50 30 EGEARN C=CCn1c(SCc2ccc(F)cc2)nnc1-c1cnccn1 ZINC000000526175 452614500 /nfs/dbraw/zinc/61/45/00/452614500.db2.gz PNRXIMNEJIATJJ-UHFFFAOYSA-N 0 0 327.388 3.353 50 30 EGEARN COc1ccc(/C=N/c2ccc(S(N)(=O)=O)cc2)c2ccccc12 ZINC000000566852 452624110 /nfs/dbraw/zinc/62/41/10/452624110.db2.gz QGYULOBIRFVFOW-UDWIEESQSA-N 0 0 340.404 3.246 50 30 EGEARN C=CCN(c1ccc(C(=O)Nc2cccc(C)c2)cc1)S(C)(=O)=O ZINC000000582653 452627811 /nfs/dbraw/zinc/62/78/11/452627811.db2.gz ONYFPRJCNRWRPT-UHFFFAOYSA-N 0 0 344.436 3.199 50 30 EGEARN C=CCN1C(=O)S/C(=C/c2cc(Cl)cc(OC)c2O)C1=O ZINC000001132738 452647449 /nfs/dbraw/zinc/64/74/49/452647449.db2.gz HBSWTWXEPSMTIP-IZZDOVSWSA-N 0 0 325.773 3.277 50 30 EGEARN C=C(C)Cn1c(C)cc(C)c(S(=O)(=O)c2cccc(C)c2)c1=O ZINC000001397530 452659579 /nfs/dbraw/zinc/65/95/79/452659579.db2.gz LGIXJMUHEJXWQK-UHFFFAOYSA-N 0 0 331.437 3.182 50 30 EGEARN CN(C)N1C(=O)C[C@@H](c2cccc(F)c2)C2=C1CC(C)(C)CC2=O ZINC000001429512 452664411 /nfs/dbraw/zinc/66/44/11/452664411.db2.gz PIAJHIYCWGIRCX-AWEZNQCLSA-N 0 0 330.403 3.261 50 30 EGEARN Cc1nc(SCC(=O)Nc2ccccc2C#N)nc2c1CCCC2 ZINC000002880643 452731828 /nfs/dbraw/zinc/73/18/28/452731828.db2.gz CVHXUSGNKGSORC-UHFFFAOYSA-N 0 0 338.436 3.266 50 30 EGEARN C=CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1cccc(O)c1 ZINC000002896312 452732839 /nfs/dbraw/zinc/73/28/39/452732839.db2.gz GTVBBDCSVVVQSH-SFHVURJKSA-N 0 0 339.391 3.089 50 30 EGEARN Cc1cccc(C(=N)NOC(=O)COc2ccc3ccccc3c2)c1 ZINC000004590967 452809762 /nfs/dbraw/zinc/80/97/62/452809762.db2.gz DIKNATFSSPUFTR-UHFFFAOYSA-N 0 0 334.375 3.391 50 30 EGEARN S=C(NCc1ccccc1)N/N=C/c1cc2c(cc1Cl)OCO2 ZINC000005773454 452901152 /nfs/dbraw/zinc/90/11/52/452901152.db2.gz KQLNQHZWQXEHOY-DJKKODMXSA-N 0 0 347.827 3.067 50 30 EGEARN COc1cccc(C2N=NC(=S)N2N=Cc2ccc(C)s2)c1 ZINC000005969501 452914336 /nfs/dbraw/zinc/91/43/36/452914336.db2.gz JMEQEYNILDSODY-CXUHLZMHSA-N 0 0 330.438 3.495 50 30 EGEARN Cc1nc(S(=O)(=O)N(C)C2CCCCC2)c(C#N)c(C)c1Cl ZINC000006668703 452966782 /nfs/dbraw/zinc/96/67/82/452966782.db2.gz IODXUDLEOHUZQT-UHFFFAOYSA-N 0 0 341.864 3.177 50 30 EGEARN NC1=C(c2nc3ccccc3[nH]2)C(=O)CN1c1ccc(F)c(Cl)c1 ZINC000008844426 453235852 /nfs/dbraw/zinc/23/58/52/453235852.db2.gz KXGVFKVKZYCGDD-UHFFFAOYSA-N 0 0 342.761 3.072 50 30 EGEARN C=C(C)[C@@H](O)COc1ccc2c(OC)c3ccoc3nc2c1OC ZINC000013219891 453454089 /nfs/dbraw/zinc/45/40/89/453454089.db2.gz LNJTUUHDKCPQAA-ZDUSSCGKSA-N 0 0 329.352 3.314 50 30 biogenic,in-vitro EGEARN C=CCOC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(C)o1)C2=O ZINC000013786324 453487845 /nfs/dbraw/zinc/48/78/45/453487845.db2.gz BOHYKAVPEJEGHI-YVLHZVERSA-N 0 0 340.331 3.312 50 30 EGEARN CC#CC(=O)N1CCC[C@H](C(=O)c2ccc3cc(OC)ccc3c2)C1 ZINC000014974627 453549163 /nfs/dbraw/zinc/54/91/63/453549163.db2.gz NFYGMBNGSSIADT-SFHVURJKSA-N 0 0 335.403 3.293 50 30 EGEARN COc1ccc(/C=C2/S/C(=N/c3ccc(O)cc3)NC2=O)cc1 ZINC000015722703 453582972 /nfs/dbraw/zinc/58/29/72/453582972.db2.gz ACYPWCBMXGKTQA-XNTDXEJSSA-N 0 0 326.377 3.292 50 30 EGEARN CC(C)CCNC(=NS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000016448085 453607836 /nfs/dbraw/zinc/60/78/36/453607836.db2.gz FTTYZRDBRSUVKP-UHFFFAOYSA-N 0 0 330.453 3.458 50 30 EGEARN Cc1cc(C)nc(N=NCC2C(=O)CC(c3ccco3)CC2=O)n1 ZINC000016956792 453624151 /nfs/dbraw/zinc/62/41/51/453624151.db2.gz YFANJFAASISXFL-KBSHCFNASA-N 0 0 326.356 3.043 50 30 EGEARN O=C1CCCC2=Nc3nnnn3[C@@H](c3c(Cl)cccc3Cl)C12 ZINC000018196010 453647933 /nfs/dbraw/zinc/64/79/33/453647933.db2.gz PXSUJXPJWDUEQU-ZDUSSCGKSA-N 0 0 336.182 3.002 50 30 EGEARN COc1ccc(OC)c([C@@H]2CCN(C(=O)c3ccccc3C#N)C2)c1 ZINC000077321621 454090961 /nfs/dbraw/zinc/09/09/61/454090961.db2.gz CDVPQOJNLXBCDU-OAHLLOKOSA-N 0 0 336.391 3.205 50 30 EGEARN CCC(=O)Nc1cccc(-c2cc([C@H]3CCOC3)c(C#N)c(N)n2)c1 ZINC000071736321 454211201 /nfs/dbraw/zinc/21/12/01/454211201.db2.gz UHUPMXLCGRPCPW-ZDUSSCGKSA-N 0 0 336.395 3.055 50 30 EGEARN C[C@@H]1OCc2c1nc(N)c(C#N)c2-c1cccc2c1OC(F)(F)O2 ZINC000071749385 454212864 /nfs/dbraw/zinc/21/28/64/454212864.db2.gz JZRQVPWTALXVNN-ZETCQYMHSA-N 0 0 331.278 3.115 50 30 EGEARN CCn1cc(-c2cc(-c3cc(F)cc(F)c3)nc(N)c2C#N)cn1 ZINC000071767855 454217236 /nfs/dbraw/zinc/21/72/36/454217236.db2.gz KOCGBMKXKCMQCP-UHFFFAOYSA-N 0 0 325.322 3.364 50 30 EGEARN C[C@H](O)C[C@@H](OCc1ccccc1)[C@@H](C=O)OCc1ccccc1 ZINC000095921577 454231631 /nfs/dbraw/zinc/23/16/31/454231631.db2.gz HPXCJXHFGHRRIS-PWIZWCRZSA-N 0 0 328.408 3.127 50 30 EGEARN CO[C@H]1CCCN(c2ccc(NC(=O)c3cccc(C#N)c3)cc2)C1 ZINC000096122429 454288492 /nfs/dbraw/zinc/28/84/92/454288492.db2.gz PYIFGBKLEFSLKZ-IBGZPJMESA-N 0 0 335.407 3.426 50 30 EGEARN COc1ccc2[nH]cc(C[C@@H](C#N)C(=O)NCc3ccccc3)c2c1 ZINC000061721059 454352470 /nfs/dbraw/zinc/35/24/70/454352470.db2.gz VGRKWJHIWJNBDJ-HNNXBMFYSA-N 0 0 333.391 3.175 50 30 EGEARN COc1ccc(C(=O)C=C2NCCN2Cc2ccccc2Cl)cc1 ZINC000098211206 454463264 /nfs/dbraw/zinc/46/32/64/454463264.db2.gz QWJVMYHFYOTYKR-XDHOZWIPSA-N 0 0 342.826 3.478 50 30 EGEARN C#CCn1c2c(cccc2F)s/c1=N\C(=O)c1cccc(F)c1 ZINC000100877830 454467737 /nfs/dbraw/zinc/46/77/37/454467737.db2.gz DFQPMZRHIIQQDP-JZJYNLBNSA-N 0 0 328.343 3.355 50 30 EGEARN Cc1nc(C(C)C)cc(N2CCN(Cc3cccc(C#N)c3)CC2)n1 ZINC000065451906 454569742 /nfs/dbraw/zinc/56/97/42/454569742.db2.gz NMDLLYKTLBMBLS-UHFFFAOYSA-N 0 0 335.455 3.102 50 30 EGEARN COC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)C3=CC(=O)[C@]12C ZINC000254819994 455856319 /nfs/dbraw/zinc/85/63/19/455856319.db2.gz QOBSXMNUZVHPQI-DNTFTJGDSA-N 0 0 344.451 3.487 50 30 EGEARN CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@H]3[C@H](O)C[C@@]12C ZINC000257359026 455897645 /nfs/dbraw/zinc/89/76/45/455897645.db2.gz XYVVSFGOAQGVRE-CZUPSRJTSA-N 0 0 328.452 3.470 50 30 EGEARN N#Cc1cc2c(nc1N[C@@H](c1ccccn1)[C@H]1C[C@@H](O)C1)CCCC2 ZINC000220639502 456040904 /nfs/dbraw/zinc/04/09/04/456040904.db2.gz MPOHECKXQRJDHM-IDHHARJASA-N 0 0 334.423 3.151 50 30 EGEARN CC(C)(C#N)CCS(=O)(=O)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000585136647 459828681 /nfs/dbraw/zinc/82/86/81/459828681.db2.gz OEHGLFVNWMAJNN-QGZVFWFLSA-N 0 0 334.485 3.006 50 30 EGEARN C#CCn1c2c(cccc2F)s/c1=N\C(=O)c1ccc(C#N)cc1 ZINC000100877836 518340817 /nfs/dbraw/zinc/34/08/17/518340817.db2.gz JUNLQCGVORCGDC-UZYVYHOESA-N 0 0 335.363 3.088 50 30 EGEARN c1csc(CN=Nc2ncnc3c2ncn3Cc2ccccc2)c1 ZINC000005389963 518378379 /nfs/dbraw/zinc/37/83/79/518378379.db2.gz FCRNKLXFWBBSDW-ZVBGSRNCSA-N 0 0 334.408 3.382 50 30 EGEARN C=CCN(Cc1ccccc1OC)C(=O)c1ccc(NC(C)=O)cc1 ZINC000055370143 518787224 /nfs/dbraw/zinc/78/72/24/518787224.db2.gz JOFBDXWRHLYGKK-UHFFFAOYSA-N 0 0 338.407 3.482 50 30 EGEARN C=CCc1ccccc1OCCCn1c(CNC=O)nc2ccccc21 ZINC000004810364 519144010 /nfs/dbraw/zinc/14/40/10/519144010.db2.gz ZSKCEKGQFJHDPV-UHFFFAOYSA-N 0 0 349.434 3.480 50 30 EGEARN C=CCn1c(SCC(=O)OC(C)C)nnc1-c1ccc(C)cc1 ZINC000005500173 519228802 /nfs/dbraw/zinc/22/88/02/519228802.db2.gz ILZQKMIKBNNKOU-UHFFFAOYSA-N 0 0 331.441 3.483 50 30 EGEARN CCCOc1ccc(C=NN2C(=S)N=NC2c2cccnc2)cc1 ZINC000005738398 520323268 /nfs/dbraw/zinc/32/32/68/520323268.db2.gz NLPGBMAUXHCSJX-YBFXNURJSA-N 0 0 339.424 3.300 50 30 EGEARN Cc1ccc(C=Nn2cnnc2N=NCc2ccc(C)s2)s1 ZINC000004499585 525965926 /nfs/dbraw/zinc/96/59/26/525965926.db2.gz SVUXEUHSSWQPQH-GXZANXLRSA-N 0 0 330.442 3.346 50 30 EGEARN Cc1cc(NC(=O)c2cc(F)cc(C#N)c2)ccc1N1CCCC1=O ZINC000826768265 1320403269 /nfs/dbraw/zinc/40/32/69/1320403269.db2.gz XRQIGVUIHWSCKJ-UHFFFAOYSA-N 0 0 337.354 3.385 50 30 EGEARN C=CCN1C[C@@H](C(=O)Nc2cccc(Cl)c2OCCC)CC1=O ZINC000952860190 1334582691 /nfs/dbraw/zinc/58/26/91/1334582691.db2.gz HLSMEGHQYOUIQD-LBPRGKRZSA-N 0 0 336.819 3.102 50 30 EGEARN CC(C)(O)C#Cc1cccc(C(=O)N2CC[C@H]2c2cccs2)c1 ZINC000952868564 1334583620 /nfs/dbraw/zinc/58/36/20/1334583620.db2.gz AKELHVWLJJANJC-INIZCTEOSA-N 0 0 325.433 3.458 50 30 EGEARN CC(C)c1ccc(C(=O)C=CNc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000051318738 214088490 /nfs/dbraw/zinc/08/84/90/214088490.db2.gz FIBXNVRGRVJBLA-VAWYXSNFSA-N 0 0 344.436 3.266 50 30 EGEARN COC(=O)C1=C(C)N(c2ccccc2)C(=Cc2ccc(O)cc2)C1=O ZINC000004703148 210253004 /nfs/dbraw/zinc/25/30/04/210253004.db2.gz OZUGUKPGQGIIOU-SFQUDFHCSA-N 0 0 335.359 3.269 50 30 EGEARN Clc1ccc(CN=Nc2nnnn2-c2ccccc2)c(Cl)c1 ZINC000004697722 210251638 /nfs/dbraw/zinc/25/16/38/210251638.db2.gz XZCMUWXCMOZMLZ-RQZCQDPDSA-N 0 0 333.182 3.415 50 30 EGEARN Cc1ccc(C(=O)[C@H]2C(C#N)(C#N)C23CCC2(CC3)OCCO2)cc1 ZINC000055065759 214269150 /nfs/dbraw/zinc/26/91/50/214269150.db2.gz HBSAHUODWCEUJT-QGZVFWFLSA-N 0 0 336.391 3.145 50 30 EGEARN C=CCN(Cc1ccccc1OCC)C(=O)c1c(C)cc(C)[nH]c1=O ZINC000055253654 214296595 /nfs/dbraw/zinc/29/65/95/214296595.db2.gz LPXWHHGQZSVPPQ-UHFFFAOYSA-N 0 0 340.423 3.219 50 30 EGEARN COc1cccc([C@H]2C3C(=O)CCCC3=Nc3nc(SC)nn32)c1 ZINC000004436105 210192234 /nfs/dbraw/zinc/19/22/34/210192234.db2.gz AJKQWKOMCCNNHX-HNNXBMFYSA-N 0 0 342.424 3.031 50 30 EGEARN COC(=O)C1=C(C)NC(=Cc2cccc(OCc3ccccc3)c2)C1=O ZINC000004115519 210123960 /nfs/dbraw/zinc/12/39/60/210123960.db2.gz XMYRYESEMOVBQX-LDADJPATSA-N 0 0 349.386 3.226 50 30 EGEARN C#CCn1c2ccccc2nc1[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000004033518 210104620 /nfs/dbraw/zinc/10/46/20/210104620.db2.gz ZSGDDZJSTUITAM-KRWDZBQOSA-N 0 0 329.403 3.186 50 30 EGEARN CCc1nc(-c2cc(-c3ccc(O)c(OC)c3)nc(N)c2C#N)c(C)[nH]1 ZINC000067973843 215264232 /nfs/dbraw/zinc/26/42/32/215264232.db2.gz DVXCXBGGCUYSLN-UHFFFAOYSA-N 0 0 349.394 3.178 50 30 EGEARN C=CCn1cnc2c(c3nc4ccccc4nc3n2CCCC)c1=O ZINC000002312511 209839369 /nfs/dbraw/zinc/83/93/69/209839369.db2.gz JQKWOUWHWOHAQO-UHFFFAOYSA-N 0 0 333.395 3.281 50 30 EGEARN CNc1ccccc(C(=O)/C=C/c2ccc(OC)cc2OC)c1=O ZINC000019909670 212082270 /nfs/dbraw/zinc/08/22/70/212082270.db2.gz GIQFOJCAAIWVGP-PKNBQFBNSA-N 0 0 325.364 3.002 50 30 EGEARN Cc1nc(C(=O)Nc2cccc(C#N)c2)nn1-c1ccc(Cl)cc1 ZINC000015191563 211806684 /nfs/dbraw/zinc/80/66/84/211806684.db2.gz BYBSYMOSPWELPG-UHFFFAOYSA-N 0 0 337.770 3.353 50 30 EGEARN C=CCNC(=O)N1CCC[C@@H](C(=O)c2cccc(OC(C)C)c2)C1 ZINC000012430981 211378205 /nfs/dbraw/zinc/37/82/05/211378205.db2.gz PSWRVNWHUGDLDE-MRXNPFEDSA-N 0 0 330.428 3.264 50 30 EGEARN N#Cc1ccc(-c2ccco2)nc1SCC(=O)NC1CCCC1 ZINC000012250976 211329556 /nfs/dbraw/zinc/32/95/56/211329556.db2.gz KTBXWCIJROHWKK-UHFFFAOYSA-N 0 0 327.409 3.364 50 30 EGEARN C=CC[C@]1(C(=O)[O-])CCC[N@H+](Cc2ccc(C(F)(F)F)nc2)C1 ZINC000091745423 218057462 /nfs/dbraw/zinc/05/74/62/218057462.db2.gz FIOGNQRICZJWES-HNNXBMFYSA-N 0 0 328.334 3.343 50 30 EGEARN Cn1c(Cc2ccccc2)nnc1SCC(=O)c1ccc(C#N)cc1 ZINC000009095782 211038452 /nfs/dbraw/zinc/03/84/52/211038452.db2.gz FTHNNBSKINLSDT-UHFFFAOYSA-N 0 0 348.431 3.253 50 30 EGEARN C=CCCC(=O)N1C[C@@H](c2cccc(F)c2F)[C@@H]2[C@H]1C1CCN2CC1 ZINC000095378790 218311619 /nfs/dbraw/zinc/31/16/19/218311619.db2.gz MLBQRWCNRGXRSI-CWFSZBLJSA-N 0 0 346.421 3.320 50 30 EGEARN C=CCn1c(SCC(N)=O)nnc1-c1ccc(Cl)cc1Cl ZINC000005535871 210483248 /nfs/dbraw/zinc/48/32/48/210483248.db2.gz ONUCYQFERXWLTB-UHFFFAOYSA-N 0 0 343.239 3.015 50 30 EGEARN COc1ccc(-c2coc3cc(OCC#N)ccc3c2=O)cc1OC ZINC000005345361 210443607 /nfs/dbraw/zinc/44/36/07/210443607.db2.gz FSSISQQLLXWUSL-UHFFFAOYSA-N 0 0 337.331 3.380 50 30 biogenic EGEARN NC1=C(Nc2cccc(C(F)(F)F)c2)C(=O)c2ccccc2C1=O ZINC000004955876 210338894 /nfs/dbraw/zinc/33/88/94/210338894.db2.gz GHCCRBAXZVOAEU-UHFFFAOYSA-N 0 0 332.281 3.367 50 30 EGEARN C=CCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(Cl)cc1)CC(=O)N2 ZINC000004944244 210334041 /nfs/dbraw/zinc/33/40/41/210334041.db2.gz YWEHEKVQKTWPJS-LLVKDONJSA-N 0 0 347.827 3.176 50 30 EGEARN CCCOc1ccc([C@@H]2CC(=O)NC3=C2C(=O)CCC3)cc1OC ZINC000004912981 210320404 /nfs/dbraw/zinc/32/04/04/210320404.db2.gz YWDGVCNFZJNHQE-ZDUSSCGKSA-N 0 0 329.396 3.095 50 30 EGEARN C=CCOc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000004843479 210297701 /nfs/dbraw/zinc/29/77/01/210297701.db2.gz WBTMKQOETGRHKB-UHFFFAOYSA-N 0 0 340.398 3.353 50 30 EGEARN COC(=O)c1ccccc1NC(=O)C(F)(F)C(F)(F)C(F)(F)F ZINC000004836826 210292868 /nfs/dbraw/zinc/29/28/68/210292868.db2.gz OSASKXXYHKHJKT-UHFFFAOYSA-N 0 0 347.186 3.245 50 30 EGEARN O=[N+]([O-])c1ccc(N2CCN(C(=S)NC3CCCCC3)CC2)cc1 ZINC000013482570 135701190 /nfs/dbraw/zinc/70/11/90/135701190.db2.gz IAFFAWSDWUDDKZ-UHFFFAOYSA-N 0 0 348.472 3.335 50 30 EGEARN Cc1cc(C(F)F)nc(SCn2cc([N+](=O)[O-])cn2)c1C#N ZINC000006400113 264007440 /nfs/dbraw/zinc/00/74/40/264007440.db2.gz BRTHHHNLXSYZON-UHFFFAOYSA-N 0 0 325.300 3.054 50 30 EGEARN CC(=O)[C@H]1C[C@H](O)[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000071770794 277099831 /nfs/dbraw/zinc/09/98/31/277099831.db2.gz TXSVIPOXNODKEY-UOUVBWGTSA-N 0 0 328.452 3.470 50 30 EGEARN C[C@@H]1Cc2nc(NC=C3C(=O)c4ccccc4C3=O)sc2C(=O)C1 ZINC000100936694 279023822 /nfs/dbraw/zinc/02/38/22/279023822.db2.gz LIRHFOYHPNGJHI-SECBINFHSA-N 0 0 338.388 3.283 50 30 EGEARN COc1ccc([C@@H]2c3c(C)noc3NC3=C2C(=O)CCC3)cc1O ZINC000021660290 295233054 /nfs/dbraw/zinc/23/30/54/295233054.db2.gz JRBFYGLYLRBYDF-MRXNPFEDSA-N 0 0 326.352 3.262 50 30 EGEARN COc1ccccc1[C@H]1Nc2nonc2N=C2CC(C)(C)CC(=O)C21 ZINC000012390456 295414904 /nfs/dbraw/zinc/41/49/04/295414904.db2.gz GKRRZXYTXRUJIC-OAHLLOKOSA-N 0 0 340.383 3.300 50 30 EGEARN COCc1cc(C)nc(SCC(=O)Nc2ccc(F)cc2)c1C#N ZINC000000105105 452509116 /nfs/dbraw/zinc/50/91/16/452509116.db2.gz HMGBWBZALWADQE-UHFFFAOYSA-N 0 0 345.399 3.278 50 30 EGEARN N#Cc1ccc(N2CCN(C(=O)c3ccc(F)cc3Cl)CC2)cc1 ZINC000000128462 452515740 /nfs/dbraw/zinc/51/57/40/452515740.db2.gz GHKLAVSBFYZSKO-UHFFFAOYSA-N 0 0 343.789 3.313 50 30 EGEARN N#Cc1c(NC(=O)[C@H]2COc3ccccc3O2)sc2c1CCCC2 ZINC000000138394 452517662 /nfs/dbraw/zinc/51/76/62/452517662.db2.gz GPFCCUGOPORAEN-OAHLLOKOSA-N 0 0 340.404 3.277 50 30 EGEARN CCOc1ccc([C@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)CCC3)cc1 ZINC000000203887 452535054 /nfs/dbraw/zinc/53/50/54/452535054.db2.gz PPJJSKRJCDDVGJ-SFHVURJKSA-N 0 0 341.407 3.226 50 30 EGEARN COc1ccc([C@H]2C(=C(C)O)C(=O)C(=O)N2c2ccc(F)cc2)cc1 ZINC000000273540 452551513 /nfs/dbraw/zinc/55/15/13/452551513.db2.gz KAHAVDPIYHSQCH-KRWDZBQOSA-N 0 0 341.338 3.323 50 30 EGEARN COc1ccc([C@@H]2CC(=O)N(C)C3=C2C(=O)CC(C)(C)C3)c(OC)c1 ZINC000000353881 452567746 /nfs/dbraw/zinc/56/77/46/452567746.db2.gz JKKRIPGPWQBCTA-AWEZNQCLSA-N 0 0 343.423 3.293 50 30 EGEARN N#Cc1c(N)n(-c2ccccc2)c(-c2cccc([N+](=O)[O-])c2)c1C#N ZINC000001188762 452646506 /nfs/dbraw/zinc/64/65/06/452646506.db2.gz DBHIBEPVTUDKMX-UHFFFAOYSA-N 0 0 329.319 3.378 50 30 EGEARN COc1ccc(OC)c([C@H]2CC(=O)OC3=C2C(=O)CC(C)(C)C3)c1 ZINC000001422959 452663356 /nfs/dbraw/zinc/66/33/56/452663356.db2.gz XKHONPFXXNRICD-CYBMUJFWSA-N 0 0 330.380 3.378 50 30 EGEARN CCOC(=O)C1=C(C)NC(=Cc2ccc(Cl)cc2Cl)C1=O ZINC000002498378 452702853 /nfs/dbraw/zinc/70/28/53/452702853.db2.gz GWWAFXZKDRMDQB-WUXMJOGZSA-N 0 0 326.179 3.344 50 30 EGEARN C=CCN1c2ccc(Cl)cc2[C@@](O)(CC(=O)c2ccc(C)o2)C1=O ZINC000005324474 452859023 /nfs/dbraw/zinc/85/90/23/452859023.db2.gz JMMWDLXQKDUUFU-SFHVURJKSA-N 0 0 345.782 3.235 50 30 EGEARN COc1ccc(C2N=NC(=S)N2N=CC=Cc2ccco2)cc1 ZINC000005893640 452907544 /nfs/dbraw/zinc/90/75/44/452907544.db2.gz QPNUKAIDUWHRER-PAKBQEMXSA-N 0 0 326.381 3.383 50 30 EGEARN O=[N+]([O-])c1ccc(C=NN2C(=S)N=NC2c2ccc(F)cc2)cc1 ZINC000005996701 452915102 /nfs/dbraw/zinc/91/51/02/452915102.db2.gz JHXOYXQYWKPKJY-RQZCQDPDSA-N 0 0 343.343 3.163 50 30 EGEARN COc1cc(/C=C2/S/C(=N/c3ccccc3F)NC2=O)ccc1O ZINC000006008484 452915733 /nfs/dbraw/zinc/91/57/33/452915733.db2.gz NBLULSWUEHEEHR-OQLLNIDSSA-N 0 0 344.367 3.432 50 30 EGEARN N#Cc1c(SCC(N)=O)nc(-c2cccs2)c2c1CCCC2 ZINC000006703646 452973344 /nfs/dbraw/zinc/97/33/44/452973344.db2.gz OHQWNPKPMIHCQF-UHFFFAOYSA-N 0 0 329.450 3.138 50 30 EGEARN C[C@H](CCc1ccccc1)NC(=O)CSc1ncccc1C#N ZINC000007051475 453024168 /nfs/dbraw/zinc/02/41/68/453024168.db2.gz AREZINUIDFEROL-CQSZACIVSA-N 0 0 325.437 3.183 50 30 EGEARN C#CCn1c2ccccc2nc1[C@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000007544895 453085427 /nfs/dbraw/zinc/08/54/27/453085427.db2.gz VEYYGWMAENCBNB-AWEZNQCLSA-N 0 0 333.366 3.329 50 30 EGEARN COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1cccc(Cl)c1 ZINC000013285533 453455550 /nfs/dbraw/zinc/45/55/50/453455550.db2.gz UZOYBHVFOIKSOZ-MRXNPFEDSA-N 0 0 331.799 3.481 50 30 EGEARN C=CCNC(=S)N=NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000013555805 453469817 /nfs/dbraw/zinc/46/98/17/453469817.db2.gz ATRBCTXFHAKHQB-LICLKQGHSA-N 0 0 330.369 3.250 50 30 EGEARN C=C(C)Cn1nnc2c(sc3nc(-c4ccccc4)nc(C)c32)c1=O ZINC000013682487 453480473 /nfs/dbraw/zinc/48/04/73/453480473.db2.gz YUOZPCKSXMKJJH-UHFFFAOYSA-N 0 0 349.419 3.348 50 30 EGEARN Cc1cc(/N=C2/SCC(=O)N2C2CC2)nn1Cc1ccccc1F ZINC000017071842 453629126 /nfs/dbraw/zinc/62/91/26/453629126.db2.gz HHOFBISLSALKIJ-ZPHPHTNESA-N 0 0 344.415 3.104 50 30 EGEARN C=CCOCc1ccc(C(=O)Nc2ccccc2C(=O)OC)cc1 ZINC000018173731 453645770 /nfs/dbraw/zinc/64/57/70/453645770.db2.gz GGNANKYTFSDUNB-UHFFFAOYSA-N 0 0 325.364 3.428 50 30 EGEARN COc1cc(CN=Nc2ccccc2[N+](=O)[O-])cc(OC)c1OC ZINC000031719683 453852572 /nfs/dbraw/zinc/85/25/72/453852572.db2.gz IKRRFUFCPFSPDI-YVLHZVERSA-N 0 0 331.328 3.067 50 30 EGEARN C=C(C)Cn1c2sc(C)cc2c(=O)n(Cc2ccccc2)c1=O ZINC000032087513 453863889 /nfs/dbraw/zinc/86/38/89/453863889.db2.gz BSYNSHPOEASFEL-UHFFFAOYSA-N 0 0 326.421 3.158 50 30 EGEARN N#Cc1cccc(C(=O)N2CC(Oc3nc4ccccc4s3)C2)c1 ZINC000085471133 454030182 /nfs/dbraw/zinc/03/01/82/454030182.db2.gz HGCAFRHVZGIIBT-UHFFFAOYSA-N 0 0 335.388 3.071 50 30 EGEARN Cc1ccc(S(=O)(=O)ON=c2ccc3ccccc3cc2)cc1 ZINC000045070757 454136643 /nfs/dbraw/zinc/13/66/43/454136643.db2.gz HDLAFXBPPVQBNZ-UHFFFAOYSA-N 0 0 325.389 3.369 50 30 EGEARN CC(C)Oc1ccc(-c2cc(-c3cc[nH]c3)nc(N)c2C#N)cc1CO ZINC000071775871 454218326 /nfs/dbraw/zinc/21/83/26/454218326.db2.gz REDBAYBCUKWHMA-UHFFFAOYSA-N 0 0 348.406 3.477 50 30 EGEARN O=C1c2ccc(O)cc2O/C1=C\c1ccc(O)c(Br)c1 ZINC000071813691 454223060 /nfs/dbraw/zinc/22/30/60/454223060.db2.gz JESIXYXLFKMDAO-NSIKDUERSA-N 0 0 333.137 3.477 50 30 EGEARN COc1ccc(C2N=NC(=S)N2N=Cc2cccc(OC)c2)cc1 ZINC000252429352 455804270 /nfs/dbraw/zinc/80/42/70/455804270.db2.gz GKSZGGZCSWWHQX-UHFFFAOYSA-N 0 0 340.408 3.133 50 30 EGEARN C[C@@]12CC(=O)[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC1OC(=O)C=C12 ZINC000257357981 455897615 /nfs/dbraw/zinc/89/76/15/455897615.db2.gz RBULKOMEEZXUGR-RDAYEZKXSA-N 0 0 340.419 3.159 50 30 EGEARN C[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@H]2[C@H](O)C[C@]3(C)[C@H](CC[C@]3(C)O)[C@H]12 ZINC000257358327 455897732 /nfs/dbraw/zinc/89/77/32/455897732.db2.gz SUKMOMANEUHOTO-RTICLRTCSA-N 0 0 332.484 3.486 50 30 EGEARN CC(=O)N1CCC(C(=O)O[C@@H](C)CCCC#C[Si](C)(C)C)CC1 ZINC000585135750 459828332 /nfs/dbraw/zinc/82/83/32/459828332.db2.gz ABGHPUUGWOJZKE-HNNXBMFYSA-N 0 0 337.536 3.228 50 30 EGEARN C=CCNc1ccccc1C(=O)N(C)CCOc1ccccc1OC ZINC000055414991 518960517 /nfs/dbraw/zinc/96/05/17/518960517.db2.gz OTXIEMACEHNYTE-UHFFFAOYSA-N 0 0 340.423 3.444 50 30 EGEARN C=CCOc1cc(/C=C2\N=C(c3ccco3)OC2=O)ccc1OC ZINC000002071186 519006295 /nfs/dbraw/zinc/00/62/95/519006295.db2.gz CEBPFJCTNJMALN-RAXLEYEMSA-N 0 0 325.320 3.198 50 30 EGEARN CC#CC(=O)N1CCc2onc(-c3ccc(C(F)(F)F)cc3)c2C1 ZINC000011840981 519330429 /nfs/dbraw/zinc/33/04/29/519330429.db2.gz GRGFQJCJZJQGCN-UHFFFAOYSA-N 0 0 334.297 3.268 50 30 EGEARN COc1ccccc1CN=Nc1nnnn1-c1cccc2ccccc21 ZINC000004380212 524326053 /nfs/dbraw/zinc/32/60/53/524326053.db2.gz BYSNNFOJNJJWLC-DEDYPNTBSA-N 0 0 344.378 3.270 50 30 EGEARN Cc1ccc(OCC(=O)ONC(=N)c2ccccc2Cl)cc1C ZINC000004819526 525397106 /nfs/dbraw/zinc/39/71/06/525397106.db2.gz DOSZMCDSTKFSRG-UHFFFAOYSA-N 0 0 332.787 3.199 50 30 EGEARN O=[N+]([O-])c1cccc(/C=N\CC/N=C\c2cccc([N+](=O)[O-])c2)c1 ZINC000104225285 527384250 /nfs/dbraw/zinc/38/42/50/527384250.db2.gz LCDWIXVPDSNHCZ-WHYMJUELSA-N 0 0 326.312 3.041 50 30 EGEARN C=C(C)COc1ccc([C@H]2CC(=O)Oc3cc(C)oc(=O)c32)cc1 ZINC000218012541 547240790 /nfs/dbraw/zinc/24/07/90/547240790.db2.gz GWAYEODKMGWQNE-OAHLLOKOSA-N 0 0 326.348 3.344 50 30 biogenic EGEARN Cc1ccc(-c2nc(C#N)c(S(=O)(=O)N3CCCCCC3)o2)cc1 ZINC000826802781 1320405167 /nfs/dbraw/zinc/40/51/67/1320405167.db2.gz BNHUQHBAPMTVSQ-UHFFFAOYSA-N 0 0 345.424 3.086 50 30 EGEARN CC(C)Cn1c(CN2CCCn3nc(C#N)cc3C2)nc2ccccc21 ZINC000826805689 1320405596 /nfs/dbraw/zinc/40/55/96/1320405596.db2.gz QJQPQWAUSQEWOR-UHFFFAOYSA-N 0 0 348.454 3.166 50 30 EGEARN C=C(C)COc1ccccc1NC(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000952961635 1334625546 /nfs/dbraw/zinc/62/55/46/1334625546.db2.gz KTAAPQMQAYYZGD-UHFFFAOYSA-N 0 0 345.420 3.297 50 30 EGEARN C=CCN1C[C@H](C(=O)N(Cc2ccc(C(C)C)cc2)C2CC2)CC1=O ZINC000952961053 1334625639 /nfs/dbraw/zinc/62/56/39/1334625639.db2.gz CWXCVVWEUKNPNW-GOSISDBHSA-N 0 0 340.467 3.336 50 30 EGEARN Cn1cc(C#N)cc1C(=O)Nc1ccc(N2CCCC2)c2ncccc12 ZINC000952975543 1334628663 /nfs/dbraw/zinc/62/86/63/1334628663.db2.gz ZEKFLBBATMFCHM-UHFFFAOYSA-N 0 0 345.406 3.297 50 30 EGEARN COc1cccc(/C=C2\S/C(=N/c3ccc(F)cc3)NC2=O)c1O ZINC000004704749 210254891 /nfs/dbraw/zinc/25/48/91/210254891.db2.gz BMWGNOYZNHYZSY-ZROIWOOFSA-N 0 0 344.367 3.432 50 30 EGEARN C=CCOc1ccc(C(=O)N[C@H](C)c2nc(CC)no2)cc1OCC ZINC000055401072 214317874 /nfs/dbraw/zinc/31/78/74/214317874.db2.gz NDFAMDXWXYLMJJ-GFCCVEGCSA-N 0 0 345.399 3.087 50 30 EGEARN CNc1cc([N+](=O)[O-])ccc1NC=CC(=O)c1ccc2c(c1)OCO2 ZINC000097840853 219059286 /nfs/dbraw/zinc/05/92/86/219059286.db2.gz AIUHEKMBOKJZTM-SREVYHEPSA-N 0 0 341.323 3.174 50 30 EGEARN CSc1nc2n(n1)[C@H](c1cccnc1)C1C(=O)CC(C)(C)CC1=N2 ZINC000009015928 295690238 /nfs/dbraw/zinc/69/02/38/295690238.db2.gz HMXCOESTUYXCFL-CQSZACIVSA-N 0 0 341.440 3.053 50 30 EGEARN Cc1ccc(NC(=O)[C@@H]2CC(=O)NC3=C2C(=O)CC(C)(C)C3)cc1C ZINC000100418162 219098337 /nfs/dbraw/zinc/09/83/37/219098337.db2.gz HHHCIUTVHDQTAV-CQSZACIVSA-N 0 0 340.423 3.021 50 30 EGEARN O=[N+]([O-])c1ccc(/C=N/CC/N=C/c2ccc([N+](=O)[O-])cc2)cc1 ZINC000100670403 219104304 /nfs/dbraw/zinc/10/43/04/219104304.db2.gz SQKBKHPIUDTFCI-JYFOCSDGSA-N 0 0 326.312 3.041 50 30 EGEARN C#CCOC[C@@H]1CCCN(C(=O)c2cc(Cl)ccc2Cl)C1 ZINC000049031648 213979663 /nfs/dbraw/zinc/97/96/63/213979663.db2.gz NQNKITFPHRMRPL-GFCCVEGCSA-N 0 0 326.223 3.495 50 30 EGEARN CCN(CC)C(=O)C(=O)c1cccn1-c1cccc(Cl)c1C#N ZINC000004054736 210108933 /nfs/dbraw/zinc/10/89/33/210108933.db2.gz LBYNJRGARBEMSU-UHFFFAOYSA-N 0 0 329.787 3.053 50 30 EGEARN CCn1c2ccccc2c2nnc(N=NCc3ccc(OC)cc3)nc21 ZINC000003898154 210087882 /nfs/dbraw/zinc/08/78/82/210087882.db2.gz DQHPAHYJDUYTGK-UDWIEESQSA-N 0 0 346.394 3.454 50 30 EGEARN CCn1c2ccccc2c2nnc(N=NCc3ccccc3O)nc21 ZINC000003898155 210087634 /nfs/dbraw/zinc/08/76/34/210087634.db2.gz BGAYJLMKKRSLPW-YBFXNURJSA-N 0 0 332.367 3.151 50 30 EGEARN COc1ccc(C(=O)C2=C(O)C(=O)N(C)[C@H]2c2ccc(C)cc2)cc1 ZINC000102587332 219212236 /nfs/dbraw/zinc/21/22/36/219212236.db2.gz QITQWYAYVUVQKZ-HVESIFNPSA-N 0 0 337.375 3.055 50 30 EGEARN CCOC(=O)CC(=O)CSc1nc(-c2cccs2)ccc1C#N ZINC000003088168 209962115 /nfs/dbraw/zinc/96/21/15/209962115.db2.gz TVIPIMXRXQDSPO-UHFFFAOYSA-N 0 0 346.433 3.296 50 30 EGEARN CCNc1ncc(-c2cc(-c3cccc(C)c3)nc(N)c2C#N)cn1 ZINC000067674144 215179080 /nfs/dbraw/zinc/17/90/80/215179080.db2.gz KFQQOBMZRITTPJ-UHFFFAOYSA-N 0 0 330.395 3.400 50 30 EGEARN COc1cccc(-c2cc(-c3ccn(C)c3)nc(N)c2C#N)c1OC ZINC000067908495 215247454 /nfs/dbraw/zinc/24/74/54/215247454.db2.gz YLYRTQVVFSCLFU-UHFFFAOYSA-N 0 0 334.379 3.225 50 30 EGEARN Cc1[nH]c2ccccc2c1[C@]1(O)c2ccccc2N(CCCC#N)C1=O ZINC000002212095 209831221 /nfs/dbraw/zinc/83/12/21/209831221.db2.gz IGKTZNVYTSFDOC-OAQYLSRUSA-N 0 0 345.402 3.363 50 30 EGEARN Cc1nc(SCC(=O)NCc2ccco2)c(C#N)c(C)c1Cl ZINC000001428519 209748402 /nfs/dbraw/zinc/74/84/02/209748402.db2.gz QYSYYRHIZHWVRJ-UHFFFAOYSA-N 0 0 335.816 3.225 50 30 EGEARN N#Cc1c(N)nc(-c2ccc[nH]2)cc1-c1ccc(-n2ccnc2)cc1 ZINC000071763860 283077983 /nfs/dbraw/zinc/07/79/83/283077983.db2.gz OZRKLESKIRKVEL-UHFFFAOYSA-N 0 0 326.363 3.383 50 30 EGEARN COC(=O)c1n[nH]cc1-c1c(C)c(C2CCCCC2)nc(N)c1C#N ZINC000071755469 215813551 /nfs/dbraw/zinc/81/35/51/215813551.db2.gz FZJGJKWPYVSLIQ-UHFFFAOYSA-N 0 0 339.399 3.068 50 30 EGEARN CCOc1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3ncnn32)cc1 ZINC000000112860 209429384 /nfs/dbraw/zinc/42/93/84/209429384.db2.gz PENKCJKEHOMKIA-QGZVFWFLSA-N 0 0 338.411 3.335 50 30 EGEARN CC(=O)C1=C(O)C(=O)N(Cc2ccccc2)[C@H]1c1ccccc1F ZINC000000052269 209392218 /nfs/dbraw/zinc/39/22/18/209392218.db2.gz ZJYGFKZXBKEAHE-KRWDZBQOSA-N 0 0 325.339 3.310 50 30 EGEARN FC(F)(F)c1nnc2n1N=C(Nc1ccc(Cl)cc1)CS2 ZINC000026506447 212523341 /nfs/dbraw/zinc/52/33/41/212523341.db2.gz WHHLLTIWVYUWCA-UHFFFAOYSA-N 0 0 333.726 3.330 50 30 EGEARN Cc1ccccc1OC1CN(C(=O)c2ccc(C#CC(C)(C)O)cc2)C1 ZINC000218447749 241324767 /nfs/dbraw/zinc/32/47/67/241324767.db2.gz AZEHUHVXQPMOIH-UHFFFAOYSA-N 0 0 349.430 3.021 50 30 EGEARN C=CCSc1nc2c(c(=O)[nH]1)[C@H](c1cc(F)cc(F)c1)CC(=O)N2 ZINC000021784807 212248710 /nfs/dbraw/zinc/24/87/10/212248710.db2.gz IQUCXWFRGXACDU-NSHDSACASA-N 0 0 349.362 3.213 50 30 EGEARN CCc1c2c(N)c(C(=O)c3ccc(C)cc3)sc2nc(N)c1C#N ZINC000020840454 212175037 /nfs/dbraw/zinc/17/50/37/212175037.db2.gz HAIHSKVIEPSDBH-UHFFFAOYSA-N 0 0 336.420 3.434 50 30 EGEARN C=CCn1c2ccccc2n(C[C@@H](O)c2ccc(OCC)cc2)c1=N ZINC000019854824 212076224 /nfs/dbraw/zinc/07/62/24/212076224.db2.gz DERGUDDBYPWAJK-LJQANCHMSA-N 0 0 337.423 3.241 50 30 EGEARN CC1(C)C[C@@](CCC#N)(C2N3CC4(C)CN2CC(C)(C3)C4)CCO1 ZINC000019331582 212017166 /nfs/dbraw/zinc/01/71/66/212017166.db2.gz HQKNMQSCTTUDNB-GXVYMARFSA-N 0 0 331.504 3.239 50 30 biogenic EGEARN N#Cc1cc(F)ccc1NC(=O)[C@H]1CC(=O)Nc2nc3ccccc3n21 ZINC000085556114 217676603 /nfs/dbraw/zinc/67/66/03/217676603.db2.gz CTDNDAFASHHEAQ-OAHLLOKOSA-N 0 0 349.325 3.219 50 30 EGEARN Cc1c(NC2=CC(=O)CC(C)(C)C2)c(=O)n(-c2ccccc2)n1C ZINC000013556127 211577196 /nfs/dbraw/zinc/57/71/96/211577196.db2.gz OGAOXBRSUIHURM-UHFFFAOYSA-N 0 0 325.412 3.169 50 30 EGEARN C=CCn1cnc2c(sc3nc(Cc4ccccc4)nc(C)c32)c1=O ZINC000012389102 211364867 /nfs/dbraw/zinc/36/48/67/211364867.db2.gz NWGUCKMIAWTPBF-UHFFFAOYSA-N 0 0 348.431 3.486 50 30 EGEARN C=CCNc1ncnc2sc(C(=O)N3CCC[C@H](C)C3)c(C)c21 ZINC000012036566 211282060 /nfs/dbraw/zinc/28/20/60/211282060.db2.gz RKRDQMRMAVPDNF-NSHDSACASA-N 0 0 330.457 3.470 50 30 EGEARN C=CC[C@@]1(CO)CCCN(C(=O)c2c[nH]nc2C2CCCCC2)C1 ZINC000091873346 218081862 /nfs/dbraw/zinc/08/18/62/218081862.db2.gz YWXJMVLOXZCMCW-LJQANCHMSA-N 0 0 331.460 3.248 50 30 EGEARN COCc1cc(C)nc(SCC(=O)N2C[C@H](C)C[C@@H](C)C2)c1C#N ZINC000010231433 211156572 /nfs/dbraw/zinc/15/65/72/211156572.db2.gz CPJHTNHRWKQNCZ-CHWSQXEVSA-N 0 0 347.484 3.005 50 30 EGEARN COC(=O)CSc1nc(-c2ccc(Cl)cc2)nc(C)c1C#N ZINC000009420606 211081172 /nfs/dbraw/zinc/08/11/72/211081172.db2.gz VEAGEEGOUTWBIM-UHFFFAOYSA-N 0 0 333.800 3.242 50 30 EGEARN O=C1CSC(=S)N1/N=C/C(Cl)=C/c1ccc([N+](=O)[O-])cc1 ZINC000008775310 211005002 /nfs/dbraw/zinc/00/50/02/211005002.db2.gz YTRNRQYDRKBIJX-XPYUXOTHSA-N 0 0 341.801 3.021 50 30 EGEARN COC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1cccc(F)c1)C2=O ZINC000005156846 210402827 /nfs/dbraw/zinc/40/28/27/210402827.db2.gz LEPMFCVSDKRFCO-PKSBALPTSA-N 0 0 342.322 3.382 50 30 EGEARN CCCCCCN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000004853385 210300780 /nfs/dbraw/zinc/30/07/80/210300780.db2.gz KBDYMVJKPZEWRG-INIZCTEOSA-N 0 0 346.383 3.460 50 30 EGEARN Cn1c2ccccc2nc1SCC#CCOC(=O)c1ccco1 ZINC000006628746 258044444 /nfs/dbraw/zinc/04/44/44/258044444.db2.gz MGXXKQAWQBFISO-UHFFFAOYSA-N 0 0 326.377 3.119 50 30 EGEARN Cc1ccc(NC2=CSc3nnc(C(F)(F)F)n3N2)c(C)c1 ZINC000027028793 258005355 /nfs/dbraw/zinc/00/53/55/258005355.db2.gz LFOGXBLEROLQSE-UHFFFAOYSA-N 0 0 327.335 3.293 50 30 EGEARN C=C(C)CN(C)C(=O)c1coc(COc2cccc3cccnc32)n1 ZINC000012314325 258017359 /nfs/dbraw/zinc/01/73/59/258017359.db2.gz YSBBBAMXDJDGAF-UHFFFAOYSA-N 0 0 337.379 3.450 50 30 EGEARN COc1ccc(N2CCN(C(=S)NCc3ccccc3)CC2)cc1 ZINC000013521644 258056158 /nfs/dbraw/zinc/05/61/58/258056158.db2.gz OUXRRYUIRHEXBI-UHFFFAOYSA-N 0 0 341.480 3.303 50 30 EGEARN N#Cc1cc([N+](=O)[O-])ccc1N1CCN(c2ccc(Cl)cc2)CC1 ZINC000008703033 135684283 /nfs/dbraw/zinc/68/42/83/135684283.db2.gz FUGYRFZNEYAQEW-UHFFFAOYSA-N 0 0 342.786 3.446 50 30 EGEARN Cc1ccc(C)c(S(=O)(=O)/N=C2\C=CC(=O)c3ccccc32)c1 ZINC000000189812 292085624 /nfs/dbraw/zinc/08/56/24/292085624.db2.gz NSNRNCRPSJSIRI-KNTRCKAVSA-N 0 0 325.389 3.234 50 30 EGEARN CCSC(=Nc1ncn2cc(C)[nH]c(=O)c12)Nc1ccccc1 ZINC000004817784 280035187 /nfs/dbraw/zinc/03/51/87/280035187.db2.gz OTMIBWFYIVBCKS-UHFFFAOYSA-N 0 0 327.413 3.184 50 30 EGEARN C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C ZINC000028643006 289213143 /nfs/dbraw/zinc/21/31/43/289213143.db2.gz YLRFCQOZQXIBAB-HAXSJCRZSA-N 0 0 336.447 3.332 50 30 EGEARN Cc1cc(C)n(/N=C/c2ccc(Br)s2)c(=O)c1C#N ZINC000000031253 452492265 /nfs/dbraw/zinc/49/22/65/452492265.db2.gz ZNJWAJQIMLKMSR-FRKPEAEDSA-N 0 0 336.214 3.043 50 30 EGEARN CC(=O)C1=C(O)C(=O)N(CCc2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000000076909 452500869 /nfs/dbraw/zinc/50/08/69/452500869.db2.gz QOENJAPDMFUHOJ-GOSISDBHSA-N 0 0 339.366 3.353 50 30 EGEARN N#Cc1ccc(NC(=O)CCCC(=O)Nc2ccc(C#N)cc2)cc1 ZINC000000143509 452519515 /nfs/dbraw/zinc/51/95/15/452519515.db2.gz WHTXRTNDGWNFGV-UHFFFAOYSA-N 0 0 332.363 3.177 50 30 EGEARN N#Cc1cc2c(nc1SCC(=O)Nc1nccs1)CCCC2 ZINC000000238774 452544592 /nfs/dbraw/zinc/54/45/92/452544592.db2.gz VLEAHADSKXXUKI-UHFFFAOYSA-N 0 0 330.438 3.019 50 30 EGEARN O=S(=O)(N/N=C/c1ccccc1)c1cc(Cl)ccc1Cl ZINC000000289027 452555353 /nfs/dbraw/zinc/55/53/53/452555353.db2.gz GLLORFNEBWDSLB-CXUHLZMHSA-N 0 0 329.208 3.306 50 30 EGEARN COC(=O)[C@]1(C)CCC[C@@]2(C)c3ccccc3C(=O)C(OC(C)=O)=C12 ZINC000000393181 452579479 /nfs/dbraw/zinc/57/94/79/452579479.db2.gz HAUMAEDQWYEBSS-VQTJNVASSA-N 0 0 342.391 3.321 50 30 EGEARN C=CCN1C(=O)N/C(=C/c2cc(C)n(-c3ccccc3F)c2C)C1=O ZINC000000479359 452604626 /nfs/dbraw/zinc/60/46/26/452604626.db2.gz DOQAHDUVIFIYFB-LFIBNONCSA-N 0 0 339.370 3.312 50 30 EGEARN Cc1nc2ccccc2c(=O)n1/N=C/c1ccc2ccccc2c1O ZINC000000535319 452616467 /nfs/dbraw/zinc/61/64/67/452616467.db2.gz NSAWECSBDKFMHX-CIAFOILYSA-N 0 0 329.359 3.446 50 30 EGEARN COc1ccc(C2N=NC(=S)N2N=Cc2sccc2C)cc1 ZINC000001241359 452648689 /nfs/dbraw/zinc/64/86/89/452648689.db2.gz FOQNPVOBKUGBEX-CXUHLZMHSA-N 0 0 330.438 3.495 50 30 EGEARN CCCOc1ccccc1/C=N/NS(=O)(=O)c1ccc(C)cc1 ZINC000002897732 452733895 /nfs/dbraw/zinc/73/38/95/452733895.db2.gz BFPQNGVGJHBPLH-QGOAFFKASA-N 0 0 332.425 3.096 50 30 EGEARN C=CCOC(=O)COc1ccc2c(c1)oc(=O)c1cc(OC)ccc21 ZINC000002994275 452738086 /nfs/dbraw/zinc/73/80/86/452738086.db2.gz CLMOKNLZGHILAC-UHFFFAOYSA-N 0 0 340.331 3.063 50 30 EGEARN Cc1nc2sc3c(c2c(=O)n1/N=C/N(C)C)CC[C@H](C(C)(C)C)C3 ZINC000004284209 452798790 /nfs/dbraw/zinc/79/87/90/452798790.db2.gz YPARXAOQEYJZJD-NJDFMEINSA-N 0 0 346.500 3.270 50 30 EGEARN CCCC[C@@H](CC)C[NH2+][C@H](CC(=O)Nc1ccccc1C#N)C(=O)[O-] ZINC000005258648 452853741 /nfs/dbraw/zinc/85/37/41/452853741.db2.gz RSEBVPJDKDUCLR-RHSMWYFYSA-N 0 0 345.443 3.146 50 30 EGEARN C=CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(OC)cc1 ZINC000005687031 452895790 /nfs/dbraw/zinc/89/57/90/452895790.db2.gz KGKMEEULBBCKNH-SFHVURJKSA-N 0 0 349.386 3.460 50 30 EGEARN CC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000006363641 452938773 /nfs/dbraw/zinc/93/87/73/452938773.db2.gz PSBKHHYXUCSULZ-INIZCTEOSA-N 0 0 341.323 3.072 50 30 EGEARN Cc1ccc(Cl)cc1N1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC000007724535 453108325 /nfs/dbraw/zinc/10/83/25/453108325.db2.gz NQWLTHZTXXRCCS-UHFFFAOYSA-N 0 0 339.826 3.483 50 30 EGEARN COc1ccc(/C=C2\S/C(=N/c3ccccc3)NC2=O)cc1O ZINC000012630141 453386309 /nfs/dbraw/zinc/38/63/09/453386309.db2.gz SQXSMLLCDWJNAC-GDNBJRDFSA-N 0 0 326.377 3.292 50 30 EGEARN Cc1ccccc1CN1C(=O)[C@@H](C)S/C1=N\N=C\c1ccco1 ZINC000013617638 453475173 /nfs/dbraw/zinc/47/51/73/453475173.db2.gz QTIPLPVJAAOVDO-SUVYKLBCSA-N 0 0 327.409 3.442 50 30 EGEARN CC[C@H](C)c1ccc(S(=O)(=O)N/N=C/c2ccccc2O)cc1 ZINC000017068365 453627924 /nfs/dbraw/zinc/62/79/24/453627924.db2.gz QPHZERASANRUED-HTMJNSLASA-N 0 0 332.425 3.218 50 30 EGEARN N#Cc1nc(-c2ccccc2)oc1NCCC(=O)NCc1ccccc1 ZINC000032594134 453879110 /nfs/dbraw/zinc/87/91/10/453879110.db2.gz FMAIPIVRNACAOQ-UHFFFAOYSA-N 0 0 346.390 3.332 50 30 EGEARN O=C1CCCC2=C1[C@H](c1cccs1)c1c(=O)[nH]c(=S)[nH]c1N2 ZINC000044973858 454131183 /nfs/dbraw/zinc/13/11/83/454131183.db2.gz LYUAULAOBACAPB-NSHDSACASA-N 0 0 331.422 3.058 50 30 EGEARN Cc1cc(N2CCCC2)nc(N2CCN(c3ccccc3)CC2)c1C#N ZINC000071282649 454204341 /nfs/dbraw/zinc/20/43/41/454204341.db2.gz LPWOJGGCZNPCAZ-UHFFFAOYSA-N 0 0 347.466 3.189 50 30 EGEARN CCc1nc(-c2c3c(nc(N)c2C#N)-c2cccc(O)c2C3)c(C)[nH]1 ZINC000071405867 454206821 /nfs/dbraw/zinc/20/68/21/454206821.db2.gz KCKQRXZKXNKZPL-UHFFFAOYSA-N 0 0 331.379 3.073 50 30 EGEARN CCOc1cc(-c2cc(-c3cn(C)nc3C)nc(N)c2C#N)ccc1O ZINC000071759281 454215777 /nfs/dbraw/zinc/21/57/77/454215777.db2.gz JEFGDCLJUHMLSX-UHFFFAOYSA-N 0 0 349.394 3.016 50 30 EGEARN C=C[C@@](C)(C=O)C[C@H]1O[C@H](C#N)[C@@]23C(=O)CC[C@@H]2CC[C@@H](C)[C@@]13C ZINC000071786306 454218414 /nfs/dbraw/zinc/21/84/14/454218414.db2.gz BWHCUUHAFYWNOR-RRTWWDOWSA-N 0 0 329.440 3.460 50 30 EGEARN Cc1ncsc1CCC(=O)N1CCC(C#N)(c2ccccc2)CC1 ZINC000096148851 454292410 /nfs/dbraw/zinc/29/24/10/454292410.db2.gz OCJKHXUVCMFRGU-UHFFFAOYSA-N 0 0 339.464 3.468 50 30 EGEARN CCCCCCCCCNC(=O)CSc1ncnc2[nH]cnc21 ZINC000097971313 454448423 /nfs/dbraw/zinc/44/84/23/454448423.db2.gz LWKVMOUVOUTQKF-UHFFFAOYSA-N 0 0 335.477 3.312 50 30 EGEARN Nc1cccc(C(=O)OC/C(=N/O)c2ccc(Br)cc2)c1 ZINC000102519869 454507803 /nfs/dbraw/zinc/50/78/03/454507803.db2.gz HWGCNYNSAKJKQV-JXAWBTAJSA-N 0 0 349.184 3.067 50 30 EGEARN COc1ccc([C@@H](C)NC(=O)c2cccc(C#CC(C)(C)O)c2)cc1 ZINC000065386865 454557709 /nfs/dbraw/zinc/55/77/09/454557709.db2.gz UBRSZUZLVRIVPP-OAHLLOKOSA-N 0 0 337.419 3.309 50 30 EGEARN N#Cc1ccc(CCC(=O)N[C@@H](c2cccnc2)C2CCOCC2)cc1 ZINC000225620132 456098302 /nfs/dbraw/zinc/09/83/02/456098302.db2.gz QWYPKMKFAKHIMI-OAQYLSRUSA-N 0 0 349.434 3.170 50 30 EGEARN CC[C@H]1C=CCN1C(=O)c1cccc(-c2ccnc(OC)c2C#N)c1 ZINC000299774825 456781103 /nfs/dbraw/zinc/78/11/03/456781103.db2.gz JHSJQAFLWWBCIY-INIZCTEOSA-N 0 0 333.391 3.419 50 30 EGEARN CC(C)CC(=O)Nc1ccc(C(=O)Nc2ncc(C#N)s2)cc1F ZINC000585137101 459829093 /nfs/dbraw/zinc/82/90/93/459829093.db2.gz IKHNNVZKWTURBG-UHFFFAOYSA-N 0 0 346.387 3.391 50 30 EGEARN Cc1cccc(NC(=O)N2CCC[C@@H](Oc3cc(C#N)ccn3)C2)c1 ZINC000575614077 459984289 /nfs/dbraw/zinc/98/42/89/459984289.db2.gz WGKOXLYJSZWDSV-QGZVFWFLSA-N 0 0 336.395 3.337 50 30 EGEARN C#CCn1c2ccc(Br)cc2s/c1=N\C(=O)C(C)C ZINC000100875320 518341927 /nfs/dbraw/zinc/34/19/27/518341927.db2.gz ACNYZAKTJCSHLS-PEZBUJJGSA-N 0 0 337.242 3.182 50 30 EGEARN CCNc1ccccc(C(=O)/C=C/c2cc(OC)ccc2OC)c1=O ZINC000004667361 520336770 /nfs/dbraw/zinc/33/67/70/520336770.db2.gz HZYDBNKRDWOZHN-PKNBQFBNSA-N 0 0 339.391 3.392 50 30 EGEARN COc1cc(OC)c(C(=O)/C=C/c2ccc(O)c(OC)c2)c(OC)c1 ZINC000004252615 522786427 /nfs/dbraw/zinc/78/64/27/522786427.db2.gz BAHHZVVNFAOLAZ-SOFGYWHQSA-N 0 0 344.363 3.323 50 30 EGEARN COc1ccc(CN=Nc2nnnn2-c2cccc3ccccc32)cc1 ZINC000004380227 523449171 /nfs/dbraw/zinc/44/91/71/523449171.db2.gz JBEGBPQFQKDOGY-DEDYPNTBSA-N 0 0 344.378 3.270 50 30 EGEARN COc1ccccc1NC(=O)[C@@H](C#N)Cc1ccc(OC)c(OC)c1 ZINC000000419734 524618642 /nfs/dbraw/zinc/61/86/42/524618642.db2.gz SQGDKCRXNBAFDI-CQSZACIVSA-N 0 0 340.379 3.033 50 30 EGEARN COc1ccccc1NC(=O)[C@H](C#N)Cc1ccc(OC)c(OC)c1 ZINC000000419733 524622273 /nfs/dbraw/zinc/62/22/73/524622273.db2.gz SQGDKCRXNBAFDI-AWEZNQCLSA-N 0 0 340.379 3.033 50 30 EGEARN C=CCS(=O)(=O)N1CCC[C@H](CCc2ccc(F)cc2F)C1 ZINC000014948276 546518250 /nfs/dbraw/zinc/51/82/50/546518250.db2.gz NZRXBJMUCYDZFJ-CYBMUJFWSA-N 0 0 329.412 3.125 50 30 EGEARN CC(C)OC(=O)C(=O)C=C(Nc1ccc(O)cc1)c1ccccc1 ZINC000100087560 1292965740 /nfs/dbraw/zinc/96/57/40/1292965740.db2.gz IRODDMKJKSADTG-SFQUDFHCSA-N 0 0 325.364 3.366 50 30 EGEARN Cc1ccn2cc(CNCc3ccc(C#CC(C)(C)O)s3)nc2c1 ZINC000952869773 1334583507 /nfs/dbraw/zinc/58/35/07/1334583507.db2.gz OCHKQCXXDANJJL-UHFFFAOYSA-N 0 0 339.464 3.116 50 30 EGEARN N#Cc1ccc(NC(=O)[C@@H](Sc2cn[nH]n2)c2ccccc2)cc1 ZINC001772491204 1441415975 /nfs/dbraw/zinc/41/59/75/1441415975.db2.gz MNFVKNOIIODOPA-INIZCTEOSA-N 0 0 335.392 3.148 50 30 EGEARN C=CCN(CC#Cc1ccccc1)C(=O)c1ccc(C#CC(C)(C)O)o1 ZINC000055153733 214280463 /nfs/dbraw/zinc/28/04/63/214280463.db2.gz XUJCVYWCHALUFB-UHFFFAOYSA-N 0 0 347.414 3.082 50 30 EGEARN C=CCN1CCC[C@@H]1C(=O)Nc1ccc(NC(=O)CCC)c(OC)c1 ZINC000055282648 214301230 /nfs/dbraw/zinc/30/12/30/214301230.db2.gz SSLODGIAIZVKIS-MRXNPFEDSA-N 0 0 345.443 3.023 50 30 EGEARN CSc1nc2n(n1)[C@H](c1sccc1C)C1C(=O)CCCC1=N2 ZINC000004776997 295690300 /nfs/dbraw/zinc/69/03/00/295690300.db2.gz UTQBIBLBFMUCDQ-LBPRGKRZSA-N 0 0 332.454 3.392 50 30 EGEARN C=CCn1c(SCC(C)=O)nc2sc3c(c2c1=O)CC[C@@H](C)C3 ZINC000004284155 210160747 /nfs/dbraw/zinc/16/07/47/210160747.db2.gz OFYXTZMLNNTZJV-SNVBAGLBSA-N 0 0 348.493 3.450 50 30 EGEARN Cc1ccc(NC(=O)[C@@H]2CCCN2/C=C/C(=O)C(F)(F)F)cc1 ZINC000004119677 210124774 /nfs/dbraw/zinc/12/47/74/210124774.db2.gz WYHGSJAGUHQGAZ-FROQITRMSA-N 0 0 326.318 3.043 50 30 EGEARN COC(=O)c1oc2cc(C#N)c(C#N)cc2c1C(=O)c1cccs1 ZINC000066089281 215009102 /nfs/dbraw/zinc/00/91/02/215009102.db2.gz JQGALIXMJJSQJJ-UHFFFAOYSA-N 0 0 336.328 3.255 50 30 EGEARN NC(=O)C(C(=O)/C=C/c1ccc(Cl)cc1)=C1SCCS1 ZINC000003342823 210013714 /nfs/dbraw/zinc/01/37/14/210013714.db2.gz IAVIODZTSUMXRD-ZZXKWVIFSA-N 0 0 325.842 3.099 50 30 EGEARN N#Cc1ccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000003224433 209981226 /nfs/dbraw/zinc/98/12/26/209981226.db2.gz UQLRTAJBFIYCNC-UHFFFAOYSA-N 0 0 325.799 3.174 50 30 EGEARN C=CCc1cc(CN2CCCN(C(=O)c3ccco3)CC2)ccc1O ZINC000067515325 215157065 /nfs/dbraw/zinc/15/70/65/215157065.db2.gz NNAFVCSODKJBEB-UHFFFAOYSA-N 0 0 340.423 3.062 50 30 EGEARN O=C1CS/C(=N/N=C/c2cccs2)N1Cc1ccc(F)cc1 ZINC000002194265 209829484 /nfs/dbraw/zinc/82/94/84/209829484.db2.gz BPDBWAAXXDZYBR-FUMQFTAPSA-N 0 0 333.413 3.353 50 30 EGEARN Cn1nc(C(F)(F)F)cc1C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000002777663 282803589 /nfs/dbraw/zinc/80/35/89/282803589.db2.gz FBWOMUUTZDLKBE-UHFFFAOYSA-N 0 0 340.330 3.113 50 30 EGEARN C#CCN1C(=O)S/C(=C/c2cc(C)n(-c3ccccn3)c2C)C1=O ZINC000000981589 209698091 /nfs/dbraw/zinc/69/80/91/209698091.db2.gz VHXMKGYQDJBADA-RVDMUPIBSA-N 0 0 337.404 3.159 50 30 EGEARN CC(=O)C1=C(O)C(=O)N(Cc2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000000549407 209660725 /nfs/dbraw/zinc/66/07/25/209660725.db2.gz RGYWIDQGVHRDLH-QGZVFWFLSA-N 0 0 325.339 3.310 50 30 EGEARN COC(=O)COc1ccc2c(c1)O/C(=C\c1sccc1C)C2=O ZINC000000546269 209659632 /nfs/dbraw/zinc/65/96/32/209659632.db2.gz CWSHICHTYDGNIW-ZSOIEALJSA-N 0 0 330.361 3.225 50 30 EGEARN COc1ccccc1/C=C1/Oc2c(ccc([O-])c2C[NH+](C)C)C1=O ZINC000036065966 213059560 /nfs/dbraw/zinc/05/95/60/213059560.db2.gz GYLNOABESDDCBO-LICLKQGHSA-N 0 0 325.364 3.079 50 30 EGEARN CC[C@H]1CN(c2nc(C)ccc2C#N)CCC(=O)N1Cc1ccccc1 ZINC000071756869 215812853 /nfs/dbraw/zinc/81/28/53/215812853.db2.gz ZPBTYJRPTQSOSO-IBGZPJMESA-N 0 0 348.450 3.279 50 30 EGEARN C/C(=N/NS(=O)(=O)c1cc(C)ccc1C)c1c[nH]c2ccccc12 ZINC000032578363 212812617 /nfs/dbraw/zinc/81/26/17/212812617.db2.gz LNXMYZWZCWWXHI-ZHZULCJRSA-N 0 0 341.436 3.487 50 30 EGEARN COC(=O)CN1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1C ZINC000009482769 283833368 /nfs/dbraw/zinc/83/33/68/283833368.db2.gz REUYKQUPLKZRRE-GFCCVEGCSA-N 0 0 328.412 3.123 50 30 EGEARN Cc1nc(C(=O)N2CCC(C#N)(c3ccccc3)CC2)c(C)s1 ZINC000216341633 241183920 /nfs/dbraw/zinc/18/39/20/241183920.db2.gz LHILDVWLCQRBAG-UHFFFAOYSA-N 0 0 325.437 3.458 50 30 EGEARN N#Cc1cc2c(nc1N[C@H](c1ccccn1)[C@H]1C[C@@H](O)C1)CCCC2 ZINC000220639561 241449039 /nfs/dbraw/zinc/44/90/39/241449039.db2.gz MPOHECKXQRJDHM-QOKNQOGYSA-N 0 0 334.423 3.151 50 30 EGEARN COCc1c(C#N)c(NCCc2ccc(F)cc2)nc(C)c1[N+](=O)[O-] ZINC000020792427 212171686 /nfs/dbraw/zinc/17/16/86/212171686.db2.gz MAENLDDJCZCXIH-UHFFFAOYSA-N 0 0 344.346 3.110 50 30 EGEARN COc1ccc(/C=C2\Oc3c(cc(C[NH+](C)C)c([O-])c3C)C2=O)cc1 ZINC000020759720 212170139 /nfs/dbraw/zinc/17/01/39/212170139.db2.gz CTPNAINTXXXPGL-MFOYZWKCSA-N 0 0 339.391 3.387 50 30 biogenic EGEARN COC(=O)c1cc(-c2ccc(Cl)cc2Cl)nc2c(C#N)cnn21 ZINC000020605736 212153307 /nfs/dbraw/zinc/15/33/07/212153307.db2.gz OBEVWRRNVDKIEI-UHFFFAOYSA-N 0 0 347.161 3.361 50 30 EGEARN C/C(=N\OCC(=O)Nc1nc2ccccc2s1)c1cccs1 ZINC000009360833 211074148 /nfs/dbraw/zinc/07/41/48/211074148.db2.gz MOXWQSHXFTWZGL-VCHYOVAHSA-N 0 0 331.422 3.159 50 30 EGEARN CC(C)(C)c1cc(C(F)(F)F)c(C#N)c(SCCC(N)=O)n1 ZINC000008843588 211008978 /nfs/dbraw/zinc/00/89/78/211008978.db2.gz PUTDIIQDDWECFV-UHFFFAOYSA-N 0 0 331.363 3.237 50 30 EGEARN N#Cc1ccc(NC(=O)[C@H]2CC(=O)N(C3CCCCC3)C2)cc1Cl ZINC000006471148 210637408 /nfs/dbraw/zinc/63/74/08/210637408.db2.gz CUJGFXJTYBXTCU-ZDUSSCGKSA-N 0 0 345.830 3.331 50 30 EGEARN CCCC[C@H](CC)CN1CC(=O)C(c2nc3ccccc3[nH]2)=C1N ZINC000005009545 210360998 /nfs/dbraw/zinc/36/09/98/210360998.db2.gz AQWJTTFKLWETEW-ZDUSSCGKSA-N 0 0 326.444 3.291 50 30 EGEARN C=CCNC(=O)/C(=C\c1ccccc1)NC(=O)c1ccccc1Cl ZINC000004843862 210297390 /nfs/dbraw/zinc/29/73/90/210297390.db2.gz HPZUFVQKOWORFW-GHRIWEEISA-N 0 0 340.810 3.413 50 30 EGEARN CCOC(=O)c1ccc(NN=C(C#N)c2nc3ccccc3[nH]2)cc1 ZINC000004812862 210284455 /nfs/dbraw/zinc/28/44/55/210284455.db2.gz WXJJXYRDSVQPLM-XQNSMLJCSA-N 0 0 333.351 3.079 50 30 EGEARN CCOc1ccc(NC(=O)[C@H](C#N)Cc2ccc(O)c(OC)c2)cc1 ZINC000009434708 258054082 /nfs/dbraw/zinc/05/40/82/258054082.db2.gz OUDFLYCAZMHREH-AWEZNQCLSA-N 0 0 340.379 3.120 50 30 EGEARN O=[N+]([O-])c1ccccc1/C=C/C=N/N1CCN(c2ccccc2)CC1 ZINC000002223133 135656746 /nfs/dbraw/zinc/65/67/46/135656746.db2.gz BEAQJIZBMQSFLV-HOGMWEGNSA-N 0 0 336.395 3.416 50 30 EGEARN Cc1cc(C(=O)ONC(=N)c2ccccc2)nn1Cc1ccc(C)cc1 ZINC000008536252 262520381 /nfs/dbraw/zinc/52/03/81/262520381.db2.gz DXVPOLSKDVTFHZ-UHFFFAOYSA-N 0 0 348.406 3.026 50 30 EGEARN CCCn1c(SCC(=O)Nc2sccc2C#N)nnc1C(C)C ZINC000006400238 263978398 /nfs/dbraw/zinc/97/83/98/263978398.db2.gz WJBFECJUXKVQGE-UHFFFAOYSA-N 0 0 349.485 3.475 50 30 EGEARN CC(C)c1ccc(C#N)c(-c2ccc(C(=O)N3CCOCC3)cc2)n1 ZINC000534588879 270061380 /nfs/dbraw/zinc/06/13/80/270061380.db2.gz BDTWWKNNJUWCKM-UHFFFAOYSA-N 0 0 335.407 3.216 50 30 EGEARN CC(C)=C1Oc2c(ccc3c2[C@@H](c2cnn(C)c2C)CC(=O)O3)C1=O ZINC000217865016 275866789 /nfs/dbraw/zinc/86/67/89/275866789.db2.gz RRKDJJGVQUFWKI-GFCCVEGCSA-N 0 0 338.363 3.039 50 30 biogenic EGEARN C=C(C)C(=O)Nc1cc(=O)n(-c2c(Cl)cc(Cl)cc2Cl)[nH]1 ZINC000003154511 452746233 /nfs/dbraw/zinc/74/62/33/452746233.db2.gz BKTNHKCSXCCZBH-UHFFFAOYSA-N 0 0 346.601 3.389 50 30 EGEARN CCc1ncc(-c2c(C#N)c(N)nc3c2CCc2cc(O)ccc2-3)cn1 ZINC000071775985 276696081 /nfs/dbraw/zinc/69/60/81/276696081.db2.gz BTNBWVNGKLWSHT-UHFFFAOYSA-N 0 0 343.390 3.026 50 30 EGEARN O=C1CC(c2ccc(Cl)cc2)CC(=O)C1=C1N[C@@H]2CCCC[C@H]2N1 ZINC000009287805 280248134 /nfs/dbraw/zinc/24/81/34/280248134.db2.gz IGNRUTCYCVQHFM-HUUCEWRRSA-N 0 0 344.842 3.071 50 30 EGEARN N#C[C@]12C(=N)O[C@@]3(CCCC[C@H]31)O[C@@H](c1ccccc1)C2(C#N)C#N ZINC000004578037 303173562 /nfs/dbraw/zinc/17/35/62/303173562.db2.gz WZLSMMJVGMRTON-ILRDRHFLSA-N 0 0 332.363 3.195 50 30 EGEARN CC(O)=C1C(=O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccc(F)cc1 ZINC000000035068 452493714 /nfs/dbraw/zinc/49/37/14/452493714.db2.gz DUISCRIIYHFMHZ-MRXNPFEDSA-N 0 0 329.302 3.454 50 30 EGEARN CC(=O)C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@H]1c1ccc(C(C)C)cc1 ZINC000000096609 452506927 /nfs/dbraw/zinc/50/69/27/452506927.db2.gz NYGOHHRVPKTXKW-WMZOPIPTSA-N 0 0 343.423 3.273 50 30 EGEARN Cc1ccc(C(=O)ONC(=O)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000000204676 452535044 /nfs/dbraw/zinc/53/50/44/452535044.db2.gz PLBYSLCUNVLOMC-UHFFFAOYSA-N 0 0 334.715 3.058 50 30 EGEARN COc1ccc([C@@H]2CC(=O)N(C)C3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000000480646 452606230 /nfs/dbraw/zinc/60/62/30/452606230.db2.gz UGGDNUMIKUSFSO-ZDUSSCGKSA-N 0 0 343.423 3.293 50 30 biogenic EGEARN C=CCSc1nnc(CC(OC)OC)n1-c1ccc(Cl)cc1 ZINC000003189646 452748798 /nfs/dbraw/zinc/74/87/98/452748798.db2.gz XCNPJDCEDDFAPI-UHFFFAOYSA-N 0 0 339.848 3.360 50 30 EGEARN CO/N=C\c1c(Sc2ccccc2C(=O)OC)nc2sccn12 ZINC000005210033 452847899 /nfs/dbraw/zinc/84/78/99/452847899.db2.gz MMRJQCNTZJITNK-SXGWCWSVSA-N 0 0 347.421 3.314 50 30 EGEARN O=C1N/C(=N/c2cccc(O)c2)S/C1=C\c1cccc([N+](=O)[O-])c1 ZINC000005593550 452886717 /nfs/dbraw/zinc/88/67/17/452886717.db2.gz AQGJOQSLPDCUSR-ZSOIEALJSA-N 0 0 341.348 3.192 50 30 EGEARN CCc1nnc(SCC(=O)Nc2sc3c(c2C#N)CCCC3)o1 ZINC000007605287 453092349 /nfs/dbraw/zinc/09/23/49/453092349.db2.gz WFCZLYPPDOUDKB-UHFFFAOYSA-N 0 0 348.453 3.175 50 30 EGEARN CCOc1cc(C=NN2C(=S)N=NC2CC)ccc1OC(F)F ZINC000008182950 453174296 /nfs/dbraw/zinc/17/42/96/453174296.db2.gz SRJVIGWIBQKBPX-CAOOACKPSA-N 0 0 342.371 3.012 50 30 EGEARN CSc1ccc([C@@H]2c3c(=O)[nH][nH]c3NC3=C2C(=O)CCC3)cc1 ZINC000012347195 453357317 /nfs/dbraw/zinc/35/73/17/453357317.db2.gz PTJSGRZVMCHBPK-ZDUSSCGKSA-N 0 0 327.409 3.402 50 30 EGEARN c1nnc2c3ccccc3c(N=NC3CCCc4ccccc43)nn12 ZINC000016946059 453624391 /nfs/dbraw/zinc/62/43/91/453624391.db2.gz WUEKIISPMVILPR-FXBPSFAMSA-N 0 0 328.379 3.430 50 30 EGEARN CC[C@@H](C(=O)NCC#CCN1CCc2ccccc2C1)c1ccccc1 ZINC000075165012 453868121 /nfs/dbraw/zinc/86/81/21/453868121.db2.gz XUDQWKXUYXOFSD-JOCHJYFZSA-N 0 0 346.474 3.358 50 30 EGEARN C=CCNC(=O)COc1cccc(-c2noc(-c3ccccc3)n2)c1 ZINC000033327239 453914437 /nfs/dbraw/zinc/91/44/37/453914437.db2.gz AOTQVUKZNGUCFX-UHFFFAOYSA-N 0 0 335.363 3.085 50 30 EGEARN CCCNC(=O)CSc1nc(-c2ccc(OC)cc2)ccc1C#N ZINC000082086916 453922633 /nfs/dbraw/zinc/92/26/33/453922633.db2.gz FJRUDDQVTILPEF-UHFFFAOYSA-N 0 0 341.436 3.247 50 30 EGEARN N#Cc1ccc(C(=O)N2CCC(c3nccn3CC3CC3)CC2)cc1 ZINC000082157609 453926679 /nfs/dbraw/zinc/92/66/79/453926679.db2.gz ZLNWRKBGVIHLFA-UHFFFAOYSA-N 0 0 334.423 3.185 50 30 EGEARN NC(=O)c1ccccc1NC=CC(=O)c1ccc(Br)cc1 ZINC000044974971 454130547 /nfs/dbraw/zinc/13/05/47/454130547.db2.gz GJJNPJBJNHCXEA-MDZDMXLPSA-N 0 0 345.196 3.357 50 30 EGEARN COc1ccc(OC)c(-c2cc(-c3c(C)n[nH]c3C)nc(N)c2C#N)c1 ZINC000071745339 454212117 /nfs/dbraw/zinc/21/21/17/454212117.db2.gz XNGHUDSWYBHXCM-UHFFFAOYSA-N 0 0 349.394 3.227 50 30 EGEARN N#Cc1cccc(C(=O)NCc2ccc(C(=O)c3ccco3)s2)c1 ZINC000096119783 454288288 /nfs/dbraw/zinc/28/82/88/454288288.db2.gz PEFRLMMNVVFFAX-UHFFFAOYSA-N 0 0 336.372 3.374 50 30 EGEARN CO[C@@H]1CCN(c2ccc(NC(=O)CCc3ccc(C#N)cc3)cc2)C1 ZINC000096122261 454288638 /nfs/dbraw/zinc/28/86/38/454288638.db2.gz NSUKDVBKKGBJHY-HXUWFJFHSA-N 0 0 349.434 3.355 50 30 EGEARN CC1=NOC(=O)[C@@]12c1ccccc1N(Cc1ccccc1Cl)C2=O ZINC000096191579 454301037 /nfs/dbraw/zinc/30/10/37/454301037.db2.gz BVAFCJCRSLGPJE-GOSISDBHSA-N 0 0 340.766 3.057 50 30 EGEARN COc1ccc2[nH]cc(C[C@H](C#N)C(=O)NCc3ccccc3)c2c1 ZINC000061721060 454352042 /nfs/dbraw/zinc/35/20/42/454352042.db2.gz VGRKWJHIWJNBDJ-OAHLLOKOSA-N 0 0 333.391 3.175 50 30 EGEARN N#Cc1cccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)c1 ZINC000047880548 454415217 /nfs/dbraw/zinc/41/52/17/454415217.db2.gz LHQYXXUTGRAKGT-UHFFFAOYSA-N 0 0 325.799 3.174 50 30 EGEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccn1 ZINC000100096771 454464219 /nfs/dbraw/zinc/46/42/19/454464219.db2.gz AHCKWRHUVFWRDM-SFHVURJKSA-N 0 0 340.423 3.249 50 30 EGEARN CC(C)Cc1cc(C(=O)N(CC#Cc2ccccc2)C2CC2)n(C)n1 ZINC000065383147 454557308 /nfs/dbraw/zinc/55/73/08/454557308.db2.gz YVKQOCPCXVZCQE-UHFFFAOYSA-N 0 0 335.451 3.275 50 30 EGEARN COc1cc(O)c(/C=C/C(=O)c2ccc(OC)c(OC)c2)c(OC)c1 ZINC000252479485 455807034 /nfs/dbraw/zinc/80/70/34/455807034.db2.gz BGEVJUMWUMFIFP-VOTSOKGWSA-N 0 0 344.363 3.323 50 30 EGEARN C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@H]1CC/C2=C/CO ZINC000257356029 455897679 /nfs/dbraw/zinc/89/76/79/455897679.db2.gz FIMYJWIQTVIDQB-DRVFTGSSSA-N 0 0 328.452 3.184 50 30 EGEARN C[C@]12CC(=O)[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC1OC(=O)C=C12 ZINC000257357980 455897823 /nfs/dbraw/zinc/89/78/23/455897823.db2.gz RBULKOMEEZXUGR-GCLVLASRSA-N 0 0 340.419 3.159 50 30 EGEARN CC[C@H](NS(=O)(=O)c1ccc(C#N)cc1Cl)c1ncccc1C ZINC000534667082 459344724 /nfs/dbraw/zinc/34/47/24/459344724.db2.gz YNALEIMDUIQCCT-AWEZNQCLSA-N 0 0 349.843 3.345 50 30 EGEARN C=C(C)COc1ccc(C(=O)N(C)CCCc2nccn2C)cc1 ZINC000055243698 518613863 /nfs/dbraw/zinc/61/38/63/518613863.db2.gz PESCPPSFBFRSRD-UHFFFAOYSA-N 0 0 327.428 3.080 50 30 EGEARN C=CCSc1nnc(CNC(=O)c2ccccc2C)n1C(C)C ZINC000006217964 519084820 /nfs/dbraw/zinc/08/48/20/519084820.db2.gz WYXDCXULOLMUJU-UHFFFAOYSA-N 0 0 330.457 3.376 50 30 EGEARN COc1cc(/C=N/n2cnnc2)ccc1OCc1ccccc1Cl ZINC000000459863 522004975 /nfs/dbraw/zinc/00/49/75/522004975.db2.gz WIIZUTHGLJNAFU-ZVBGSRNCSA-N 0 0 342.786 3.401 50 30 EGEARN COc1ccc(NC(=O)[C@H](C#N)Cc2ccc(OC)c(OC)c2)cc1 ZINC000000237193 524602812 /nfs/dbraw/zinc/60/28/12/524602812.db2.gz HLZIVGHFLFRXDE-AWEZNQCLSA-N 0 0 340.379 3.033 50 30 EGEARN COc1cccc(NC(=O)[C@H](C#N)Cc2ccc(OC)c(OC)c2)c1 ZINC000000237187 526198976 /nfs/dbraw/zinc/19/89/76/526198976.db2.gz GBQSKLJRINABSV-AWEZNQCLSA-N 0 0 340.379 3.033 50 30 EGEARN N=C(NOC(=O)C=Cc1ccccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000006889370 526806283 /nfs/dbraw/zinc/80/62/83/526806283.db2.gz UJMAGJMWYZSTTF-CMDGGOBGSA-N 0 0 345.742 3.125 50 30 EGEARN CC(C)OC(=O)C(=O)C=C(Nc1ccccc1O)c1ccccc1 ZINC000100087546 1292965872 /nfs/dbraw/zinc/96/58/72/1292965872.db2.gz GDOZYRKOHZNVMJ-FOWTUZBSSA-N 0 0 325.364 3.366 50 30 EGEARN C=CCN1C[C@H](C(=O)Nc2cccc(Cl)c2OCCC)CC1=O ZINC000952860189 1334583020 /nfs/dbraw/zinc/58/30/20/1334583020.db2.gz HLSMEGHQYOUIQD-GFCCVEGCSA-N 0 0 336.819 3.102 50 30 EGEARN Cc1ccc(NC(=O)C[C@H]2CC3=C(CCCC3=O)NC2=O)cc1Cl ZINC001740818286 1439498611 /nfs/dbraw/zinc/49/86/11/1439498611.db2.gz YUXIBPHERWRLDD-LLVKDONJSA-N 0 0 346.814 3.120 50 30 EGEARN Cc1nc2sc3c(c2c(=O)n1/N=C/N(C)C)CC[C@@H](C(C)(C)C)C3 ZINC000004284208 282132973 /nfs/dbraw/zinc/13/29/73/282132973.db2.gz YPARXAOQEYJZJD-AINDZBIGSA-N 0 0 346.500 3.270 50 30 EGEARN C=CCNc1ccccc1C(=O)N(C)C[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000055211484 214289817 /nfs/dbraw/zinc/28/98/17/214289817.db2.gz FHNURELCTQVGLO-OAHLLOKOSA-N 0 0 343.471 3.004 50 30 EGEARN C=CCN(Cc1ccc(OC)c(CO)c1)Cc1ccccc1OC ZINC000055243517 214293823 /nfs/dbraw/zinc/29/38/23/214293823.db2.gz BZVSOKIMGKFYBK-UHFFFAOYSA-N 0 0 327.424 3.384 50 30 EGEARN N/C(=N\O)c1cccn1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000098072713 219078673 /nfs/dbraw/zinc/07/86/73/219078673.db2.gz CCFUUXRNTRBRQG-UHFFFAOYSA-N 0 0 347.374 3.380 50 30 EGEARN O=C1C[C@@H](c2cccc(O)c2)C2=C(C[C@@H](c3cccs3)CC2=O)N1 ZINC000004520707 210212063 /nfs/dbraw/zinc/21/20/63/210212063.db2.gz POCQRVFBQCBVFQ-OCCSQVGLSA-N 0 0 339.416 3.458 50 30 EGEARN COc1ccc(C=NNc2ccc([N+](=O)[O-])cc2)c(OC)c1OC ZINC000004510826 210208906 /nfs/dbraw/zinc/20/89/06/210208906.db2.gz BIIUSKGXZFESKT-LICLKQGHSA-N 0 0 331.328 3.067 50 30 EGEARN O=C(/C=C1/NC(=S)N(c2ccccc2)C1=O)c1ccc(Cl)cc1 ZINC000100331162 219096706 /nfs/dbraw/zinc/09/67/06/219096706.db2.gz OCANHBGWSPXREK-GXDHUFHOSA-N 0 0 342.807 3.328 50 30 EGEARN Cc1cc(NCCCN2CCCC2=O)n2c3ccccc3nc2c1C#N ZINC000004384664 210185352 /nfs/dbraw/zinc/18/53/52/210185352.db2.gz QSICINKIRBXSLF-UHFFFAOYSA-N 0 0 347.422 3.092 50 30 EGEARN C#CCOc1ccccc1[C@@H]1CC(=O)Nc2c1cnn2-c1ccccc1 ZINC000065370021 214875865 /nfs/dbraw/zinc/87/58/65/214875865.db2.gz NJTJEZJBEPIZJZ-KRWDZBQOSA-N 0 0 343.386 3.358 50 30 EGEARN O=C(Nc1ccc([N+](=O)[O-])c(NC(=O)C(F)(F)F)c1)C(F)(F)F ZINC000004016753 210100640 /nfs/dbraw/zinc/10/06/40/210100640.db2.gz BAFVJGWLVSGWEX-UHFFFAOYSA-N 0 0 345.155 3.246 50 30 EGEARN C=C1CN(C(=O)OCc2ccccc2)CCN(C(=O)OC(C)(C)C)C1 ZINC000066346592 215034513 /nfs/dbraw/zinc/03/45/13/215034513.db2.gz ZBBGSTVVIHQHBT-UHFFFAOYSA-N 0 0 346.427 3.432 50 30 EGEARN CO[C@](F)(C(=O)Nc1sc2c(c1C#N)CCCC2)C(F)(F)F ZINC000003616876 210066922 /nfs/dbraw/zinc/06/69/22/210066922.db2.gz SFDYAXNJXSPGOH-GFCCVEGCSA-N 0 0 336.310 3.312 50 30 EGEARN CCn1cc(-c2cc(-c3ccc(O)cc3)nc(N)c2C#N)cc1C#N ZINC000067822107 215223159 /nfs/dbraw/zinc/22/31/59/215223159.db2.gz WHRLBAHDPIIYQN-UHFFFAOYSA-N 0 0 329.363 3.268 50 30 EGEARN C=CCn1c(SCCOCC)nc2sc3c(c2c1=O)CCC3 ZINC000002254526 209836000 /nfs/dbraw/zinc/83/60/00/209836000.db2.gz GHHSVPRMXLYTSM-UHFFFAOYSA-N 0 0 336.482 3.261 50 30 EGEARN N#Cc1c(N)nc2c(c1-c1cccnc1)C(=N)Nc1ccccc1S2 ZINC000020094945 283077980 /nfs/dbraw/zinc/07/79/80/283077980.db2.gz WYIMVPREGOIHRS-UHFFFAOYSA-N 0 0 344.403 3.099 50 30 EGEARN COC(=O)CN1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1C ZINC000009482771 291085695 /nfs/dbraw/zinc/08/56/95/291085695.db2.gz REUYKQUPLKZRRE-LBPRGKRZSA-N 0 0 328.412 3.123 50 30 EGEARN CCOc1cc(/C=N/n2cnnc2SCC)ccc1OC(F)F ZINC000036611435 213101004 /nfs/dbraw/zinc/10/10/04/213101004.db2.gz GFRLVRVNQZWQGK-QGMBQPNBSA-N 0 0 342.371 3.272 50 30 EGEARN COc1ccc(N[C@H]2CCCN(c3cccc(C#N)n3)C2)cc1OC ZINC000072122276 216015179 /nfs/dbraw/zinc/01/51/79/216015179.db2.gz JBUXBAWHDFANOD-INIZCTEOSA-N 0 0 338.411 3.051 50 30 EGEARN COc1ccc(/C=N/N2C(=O)c3cccc4cccc(c43)C2=O)cc1 ZINC000000206464 209484079 /nfs/dbraw/zinc/48/40/79/209484079.db2.gz JVCXSIFGAFPHET-CIAFOILYSA-N 0 0 330.343 3.479 50 30 EGEARN C=CCn1cnc2sc(C(=O)Nc3ccccc3)c(C)c2c1=O ZINC000000132451 209440541 /nfs/dbraw/zinc/44/05/41/209440541.db2.gz PHKNASLGSXNGQN-UHFFFAOYSA-N 0 0 325.393 3.205 50 30 EGEARN Cc1c(/N=C/c2cccc([N+](=O)[O-])c2)c(=O)n(-c2ccccc2)n1C ZINC000000061131 209394059 /nfs/dbraw/zinc/39/40/59/209394059.db2.gz KJSZNFBWGBNEAU-XDHOZWIPSA-N 0 0 336.351 3.143 50 30 EGEARN C=CCN(C(=O)CC)c1nc(C(F)(F)F)c(C(=O)OCC)s1 ZINC000022637617 212313582 /nfs/dbraw/zinc/31/35/82/212313582.db2.gz JJAUINWYEGKOAK-UHFFFAOYSA-N 0 0 336.335 3.268 50 30 EGEARN Cc1cc([O-])c(C[NH+]2CCCC2)c2c1C(=O)/C(=C/c1cccnc1)O2 ZINC000020573598 212148497 /nfs/dbraw/zinc/14/84/97/212148497.db2.gz VUOXLDWFLGVSQN-YVLHZVERSA-N 0 0 336.391 3.308 50 30 EGEARN C=CCn1c2c(c(=O)[nH]c1=S)CN([C@H](C)c1ccccc1)CN2 ZINC000020567346 212148089 /nfs/dbraw/zinc/14/80/89/212148089.db2.gz SYGPPEAHRMCJLN-GFCCVEGCSA-N 0 0 328.441 3.038 50 30 EGEARN CC(C)(C)c1ccc(S(=O)(=O)N/N=C/c2ccccc2O)cc1 ZINC000020468221 212134943 /nfs/dbraw/zinc/13/49/43/212134943.db2.gz LDJGTGYXLGLYDP-LDADJPATSA-N 0 0 332.425 3.002 50 30 EGEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1c(F)cccc1F ZINC000019902713 212081430 /nfs/dbraw/zinc/08/14/30/212081430.db2.gz OLRSEYJKBKPVLL-SFHVURJKSA-N 0 0 347.361 3.496 50 30 EGEARN COc1ccc(/C=N/N2CCN(Cc3ccc(C)cc3C)CC2)cc1 ZINC000019791165 212067426 /nfs/dbraw/zinc/06/74/26/212067426.db2.gz MUGGWZWSKYDPAD-PXLXIMEGSA-N 0 0 337.467 3.464 50 30 EGEARN Cn1cncc1Cn1ccc(-c2cccc(-c3ccc(C#N)cn3)c2)n1 ZINC000019114082 212000839 /nfs/dbraw/zinc/00/08/39/212000839.db2.gz DIMQCNCMYGIDNT-UHFFFAOYSA-N 0 0 340.390 3.266 50 30 EGEARN CC(=O)C1=C(C)Oc2nc(C)[nH]c(=O)c2[C@H]1c1ccc(Cl)cc1 ZINC000015083780 211801655 /nfs/dbraw/zinc/80/16/55/211801655.db2.gz OLODVAMUQZNOAE-AWEZNQCLSA-N 0 0 330.771 3.119 50 30 EGEARN COc1cc(/C=C2\C(=O)ON=C2c2ccc(Cl)cc2)ccc1O ZINC000012418996 211374429 /nfs/dbraw/zinc/37/44/29/211374429.db2.gz POXCIMKSKKNYEL-JYRVWZFOSA-N 0 0 329.739 3.399 50 30 EGEARN C=CC[C@]1(CO)CCCN(c2ccc(-c3ccc(F)cc3)nn2)C1 ZINC000091444879 218007487 /nfs/dbraw/zinc/00/74/87/218007487.db2.gz KPKSNHMAURLSRQ-IBGZPJMESA-N 0 0 327.403 3.438 50 30 EGEARN Oc1ccc2ccccc2c1C=NN1C(=S)N=NC1c1cccnc1 ZINC000009319149 211067670 /nfs/dbraw/zinc/06/76/70/211067670.db2.gz WZSUPWOWOUQTDL-RGVLZGJSSA-N 0 0 347.403 3.370 50 30 EGEARN C=CCNc1oc(/C=C/c2cc(OC)c(OC)c(OC)c2)nc1C#N ZINC000008469933 210954064 /nfs/dbraw/zinc/95/40/64/210954064.db2.gz NITZIUHTBJKTDD-VOTSOKGWSA-N 0 0 341.367 3.340 50 30 EGEARN COc1cc(OC)c(OC)cc1CN=NC(=S)Nc1ccccc1 ZINC000005237165 210419548 /nfs/dbraw/zinc/41/95/48/210419548.db2.gz FUYKCLPJJPJJTN-WQRHYEAKSA-N 0 0 345.424 3.444 50 30 EGEARN Cc1ccc(C[C@H]2S/C(=N\N=C\c3ccccc3)NC2=O)cc1C ZINC000005234025 210418156 /nfs/dbraw/zinc/41/81/56/210418156.db2.gz PBVHAPDKQXTLBV-XNHPLOEXSA-N 0 0 337.448 3.468 50 30 EGEARN CC(=O)c1ccc(N2CC(=O)C(c3nc4ccccc4s3)=C2N)cc1 ZINC000005009216 210360942 /nfs/dbraw/zinc/36/09/42/210360942.db2.gz WXXTWUQRWNYSIA-UHFFFAOYSA-N 0 0 349.415 3.216 50 30 EGEARN C=CCOC(=O)[C@@H](C#N)c1nc2ccccc2nc1N(CC=C)CC=C ZINC000004933503 210328691 /nfs/dbraw/zinc/32/86/91/210328691.db2.gz HNAJQBAMZPKEEZ-HNNXBMFYSA-N 0 0 348.406 3.145 50 30 EGEARN COc1cc(CN=Nc2nnc(Cl)c3ccccc32)ccc1O ZINC000004772839 210276048 /nfs/dbraw/zinc/27/60/48/210276048.db2.gz MTHBLVQKZWOTPG-GIJQJNRQSA-N 0 0 328.759 3.443 50 30 EGEARN CCOC(=O)[C@H](C#N)[C@@H](Cc1ccccc1)c1ccc2c(c1)OCO2 ZINC000000169027 258047690 /nfs/dbraw/zinc/04/76/90/258047690.db2.gz SHOOUTRHZYZRBO-DLBZAZTESA-N 0 0 337.375 3.444 50 30 EGEARN O=c1c(/C=N/Cc2ccco2)c(NCc2ccco2)nc2ccccn21 ZINC000000133044 258047730 /nfs/dbraw/zinc/04/77/30/258047730.db2.gz COWCBVNPSRSXAB-DEDYPNTBSA-N 0 0 348.362 3.112 50 30 EGEARN O=[N+]([O-])c1cccc(-c2csc(N=NCc3cccc(O)c3)n2)c1 ZINC000013520878 258056202 /nfs/dbraw/zinc/05/62/02/258056202.db2.gz CVGPNVWUBSDWKD-RQZCQDPDSA-N 0 0 340.364 3.292 50 30 EGEARN COc1ccc(-c2nc(N)c(C#N)c(-c3cnc(C)n3C)c2C)cc1 ZINC000071754649 286264137 /nfs/dbraw/zinc/26/41/37/286264137.db2.gz PZEXVPSJDMIGLH-UHFFFAOYSA-N 0 0 333.395 3.228 50 30 EGEARN C=CCN1C(=O)[C@@H]2[C@H](C1=O)C1(C)c3ccccc3C2c2ccccc21 ZINC000000233536 277856460 /nfs/dbraw/zinc/85/64/60/277856460.db2.gz YITKMVZUCLEHOZ-LECRGTDLSA-N 0 0 329.399 3.239 50 30 EGEARN C[C@@H]1SCc2c1nc(N)c(C#N)c2-c1ccc([O-])c(C[NH+](C)C)c1 ZINC000071404228 279072993 /nfs/dbraw/zinc/07/29/93/279072993.db2.gz UCGHDLFAUDCSJC-JTQLQIEISA-N 0 0 340.452 3.277 50 30 EGEARN N#Cc1cnn(-c2nnc(-c3ccc(F)cc3)c3ccccc32)c1N ZINC000000038237 452493368 /nfs/dbraw/zinc/49/33/68/452493368.db2.gz FCMHAGNXPSMDCZ-UHFFFAOYSA-N 0 0 330.326 3.075 50 30 EGEARN CC[C@@H](Sc1nc(C)cc(C)n1)C(=O)Nc1ccccc1C#N ZINC000000074629 452498417 /nfs/dbraw/zinc/49/84/17/452498417.db2.gz BAJJJVAMGZBOAB-OAHLLOKOSA-N 0 0 326.425 3.475 50 30 EGEARN Cn1c(SCC(=O)Nc2ccccc2C#N)nnc1-c1ccccc1 ZINC000000172992 452527687 /nfs/dbraw/zinc/52/76/87/452527687.db2.gz ZAJYZKVSKHXHFK-UHFFFAOYSA-N 0 0 349.419 3.085 50 30 EGEARN O=C1c2ccccc2N[C@@H](c2ccc(Br)s2)N1O ZINC000000374748 452574220 /nfs/dbraw/zinc/57/42/20/452574220.db2.gz SYXGNGJIEGEIHB-LLVKDONJSA-N 0 0 325.187 3.466 50 30 EGEARN N#C[C@H](Cc1ccncc1)C(=O)Nc1ccc(Br)cc1 ZINC000000419719 452585894 /nfs/dbraw/zinc/58/58/94/452585894.db2.gz KYQDSNKHYIUQIU-LBPRGKRZSA-N 0 0 330.185 3.165 50 30 EGEARN C=CCn1c(N)c(C(=O)NC2CCCC2)c2nc3ccccc3nc21 ZINC000000520937 452612952 /nfs/dbraw/zinc/61/29/52/452612952.db2.gz QKNHVEDROVPAKD-UHFFFAOYSA-N 0 0 335.411 3.025 50 30 EGEARN N#Cc1cc(SCC(=O)Nc2ccccc2)c([N+](=O)[O-])cc1C#N ZINC000000526533 452614762 /nfs/dbraw/zinc/61/47/62/452614762.db2.gz QPBNXPNGEBDPCB-UHFFFAOYSA-N 0 0 338.348 3.069 50 30 EGEARN O=C1c2ccccc2N[C@@H](c2cc(Br)ccc2O)N1O ZINC000001012020 452641586 /nfs/dbraw/zinc/64/15/86/452641586.db2.gz CBLZDSSYVRALLE-CYBMUJFWSA-N 0 0 335.157 3.110 50 30 EGEARN N#Cc1c2ccc(OCC(=O)NCc3ccco3)cc2n2ccccc12 ZINC000001403769 452661993 /nfs/dbraw/zinc/66/19/93/452661993.db2.gz OSWSIGMUKMGEKH-UHFFFAOYSA-N 0 0 345.358 3.252 50 30 EGEARN Cc1cccc([C@H]2CC(=O)N(N(C)C)C3=C2C(=O)CC(C)(C)C3)c1 ZINC000001427432 452663043 /nfs/dbraw/zinc/66/30/43/452663043.db2.gz IJDFBCUAQQBISO-OAHLLOKOSA-N 0 0 326.440 3.431 50 30 EGEARN CCOC(=O)c1sc(NC(=O)c2cccc(OC)c2)c(C#N)c1C ZINC000001964997 452682720 /nfs/dbraw/zinc/68/27/20/452682720.db2.gz LSYDGCZSEXPGNO-UHFFFAOYSA-N 0 0 344.392 3.366 50 30 EGEARN CCOc1ccc(-c2c(C)sc3ncn(CC#N)c(=O)c32)cc1 ZINC000001945113 452683036 /nfs/dbraw/zinc/68/30/36/452683036.db2.gz AGFXDNBRMNSVAF-UHFFFAOYSA-N 0 0 325.393 3.356 50 30 EGEARN N#CCSc1nc2c(cnn2-c2ccccc2)c(SCC#N)n1 ZINC000002180940 452687873 /nfs/dbraw/zinc/68/78/73/452687873.db2.gz PZVRDIRSHNVMJK-UHFFFAOYSA-N 0 0 338.421 3.047 50 30 EGEARN CC(=O)Nc1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)cc1 ZINC000002172840 452688523 /nfs/dbraw/zinc/68/85/23/452688523.db2.gz JJFFNKQLNPUARZ-UHFFFAOYSA-N 0 0 346.202 3.416 50 30 EGEARN N#CCCCN1C(=O)[C@@](O)(c2c[nH]c3ccccc32)c2ccccc21 ZINC000002235661 452690242 /nfs/dbraw/zinc/69/02/42/452690242.db2.gz OZBGTKMCBITQRB-FQEVSTJZSA-N 0 0 331.375 3.054 50 30 EGEARN COc1ccccc1C=CC=NN1C(=S)N=NC1c1ccncc1 ZINC000002327699 452692353 /nfs/dbraw/zinc/69/23/53/452692353.db2.gz ZETJWUYSOZVRMV-CMHRUIPMSA-N 0 0 337.408 3.185 50 30 EGEARN Cc1cc2c(cc1C)C(=O)C(N1CCOCC1)=C(c1ccccc1)C2=O ZINC000002707139 452715822 /nfs/dbraw/zinc/71/58/22/452715822.db2.gz GSDLHULIDNVPSS-UHFFFAOYSA-N 0 0 347.414 3.426 50 30 EGEARN C=CCN(CC=C)C(=O)[C@]1(C)CC1(Br)Br ZINC000002770720 452722811 /nfs/dbraw/zinc/72/28/11/452722811.db2.gz OVASDGHEJYVBFT-JTQLQIEISA-N 0 0 337.055 3.083 50 30 EGEARN Cc1ccc(S(=O)(=O)N(CCC#N)CCc2ccccc2)cc1 ZINC000002868024 452731792 /nfs/dbraw/zinc/73/17/92/452731792.db2.gz PYDBUAQWTIJUPG-UHFFFAOYSA-N 0 0 328.437 3.142 50 30 EGEARN COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000004728283 452814097 /nfs/dbraw/zinc/81/40/97/452814097.db2.gz GESKFUHCDXOIMG-MRXNPFEDSA-N 0 0 331.799 3.481 50 30 EGEARN N#Cc1ccccc1NC(=O)c1cccn(Cc2ccccc2F)c1=O ZINC000005270375 452855446 /nfs/dbraw/zinc/85/54/46/452855446.db2.gz UJQMLFOXALRLHV-UHFFFAOYSA-N 0 0 347.349 3.160 50 30 EGEARN Cc1ccc(C2N=NC(=S)N2N=Cc2ccc3c(c2)OCO3)cc1 ZINC000005417070 452868614 /nfs/dbraw/zinc/86/86/14/452868614.db2.gz LCXGCAMIKIESRY-GIJQJNRQSA-N 0 0 338.392 3.153 50 30 EGEARN O=C(C=C1NCCc2cc3c(cc21)OCCCO3)c1ccc(F)cc1 ZINC000005489271 452879160 /nfs/dbraw/zinc/87/91/60/452879160.db2.gz MPFFEHSZIBIQKC-ATVHPVEESA-N 0 0 339.366 3.357 50 30 EGEARN COc1cccc(C2N=NC(=S)N2N=Cc2sccc2C)c1 ZINC000005982090 452914343 /nfs/dbraw/zinc/91/43/43/452914343.db2.gz WYGPPQMRUJTYCL-CXUHLZMHSA-N 0 0 330.438 3.495 50 30 EGEARN COc1ccc(NC(=O)COC(=O)c2ccc(C#N)cc2)cc1Cl ZINC000006582474 452957394 /nfs/dbraw/zinc/95/73/94/452957394.db2.gz ODRSYEYTYXQGMZ-UHFFFAOYSA-N 0 0 344.754 3.016 50 30 EGEARN O=S(=O)(N/N=C/c1ccccc1O)c1cc(Cl)ccc1Cl ZINC000006660800 452965527 /nfs/dbraw/zinc/96/55/27/452965527.db2.gz JAVHLPHLLSFRIR-LZYBPNLTSA-N 0 0 345.207 3.011 50 30 EGEARN N#Cc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)cc1Cl ZINC000008216435 453177176 /nfs/dbraw/zinc/17/71/76/453177176.db2.gz WQIOUJQYZIZPCN-ZDUSSCGKSA-N 0 0 339.782 3.203 50 30 EGEARN O=C1C[C@H](c2ccccc2)CC2=Nc3ncnn3[C@@H](c3ccco3)C12 ZINC000008968902 453237816 /nfs/dbraw/zinc/23/78/16/453237816.db2.gz IGBCCXRSSNBCGZ-ACJLOTCBSA-N 0 0 332.363 3.287 50 30 EGEARN COc1cc(/C(C)=N/OC(=O)c2cccs2)cc(OC)c1OC ZINC000016137269 453595510 /nfs/dbraw/zinc/59/55/10/453595510.db2.gz SFLLTPPRDCOAEQ-LICLKQGHSA-N 0 0 335.381 3.355 50 30 EGEARN CCc1ccc(C[C@@H]2S/C(=N/N=C/c3ccccc3)NC2=O)cc1 ZINC000016688907 453619033 /nfs/dbraw/zinc/61/90/33/453619033.db2.gz HVPUXTSFDKHTLY-NNIWKIFQSA-N 0 0 337.448 3.413 50 30 EGEARN Cc1nn(C)c2nc(C3CC3)cc(C(=O)Nc3ccc(CC#N)cc3)c12 ZINC000028437562 453823566 /nfs/dbraw/zinc/82/35/66/453823566.db2.gz GVBKABXTRKABFQ-UHFFFAOYSA-N 0 0 345.406 3.473 50 30 EGEARN O=C(CN1CCC2(CC1)OCCO2)Nc1cc(Cl)cc(Cl)c1 ZINC000082111353 453924885 /nfs/dbraw/zinc/92/48/85/453924885.db2.gz FRJOPHSERMMNJG-UHFFFAOYSA-N 0 0 345.226 3.420 50 30 EGEARN C=C(C)COc1nc(N2CCCC2)c2c(c1C#N)CC(C)(C)OC2 ZINC000070666166 454170189 /nfs/dbraw/zinc/17/01/89/454170189.db2.gz XYOALYSCSYXAMI-UHFFFAOYSA-N 0 0 327.428 3.360 50 30 biogenic EGEARN COc1ccccc1OCC#CCNC(=O)c1cccc(Cl)c1 ZINC000090610360 454327628 /nfs/dbraw/zinc/32/76/28/454327628.db2.gz PVUZIGHYHCCNTJ-UHFFFAOYSA-N 0 0 329.783 3.161 50 30 EGEARN COc1ccc2[nH]cc(C[C@@H](C#N)C(=O)Nc3ccc(O)cc3)c2c1 ZINC000061717867 454352405 /nfs/dbraw/zinc/35/24/05/454352405.db2.gz BDDIEKFZLRMQLB-LBPRGKRZSA-N 0 0 335.363 3.203 50 30 EGEARN C#CCn1c2c(cccc2C)s/c1=N\C(=O)c1ccccc1OC ZINC000100910356 454468332 /nfs/dbraw/zinc/46/83/32/454468332.db2.gz KRTWQJNEJUKBGC-VXPUYCOJSA-N 0 0 336.416 3.394 50 30 EGEARN N#Cc1nc(-c2ccccc2)oc1S(=O)(=O)Cc1cccc(C#N)c1 ZINC000170623809 454943820 /nfs/dbraw/zinc/94/38/20/454943820.db2.gz RDDPEOBCKLWSIR-UHFFFAOYSA-N 0 0 349.371 3.059 50 30 EGEARN N#Cc1ccccc1NC(=O)c1ccc(O[C@H]2CCSC2)nc1 ZINC000225713772 456105856 /nfs/dbraw/zinc/10/58/56/456105856.db2.gz PGOKRPZTVBAQOX-AWEZNQCLSA-N 0 0 325.393 3.090 50 30 EGEARN N#C[C@@H]1CCCN(C(=O)NCc2csc(-c3ccccc3)n2)C1 ZINC000426505893 457846100 /nfs/dbraw/zinc/84/61/00/457846100.db2.gz SBTSSRRDCKIDKR-ZDUSSCGKSA-N 0 0 326.425 3.255 50 30 EGEARN CC1=C2C(=NC(=O)[C@@H](C#N)[C@H]2c2cccc(Oc3ccccc3)c2)NN1 ZINC000585145673 459829410 /nfs/dbraw/zinc/82/94/10/459829410.db2.gz WSSMPNRMSPVDCQ-FUHWJXTLSA-N 0 0 344.374 3.023 50 30 EGEARN CC(=O)[C@@H]1CC(=O)[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC(=O)[C@]12C ZINC000254393683 518206846 /nfs/dbraw/zinc/20/68/46/518206846.db2.gz QQFLSXLNHSKYDE-ZOLGCQAOSA-N 0 0 342.435 3.082 50 30 EGEARN C=CCNC(=O)c1ccc(Oc2nccnc2N2CCCCC2)cc1 ZINC000067323930 518937687 /nfs/dbraw/zinc/93/76/87/518937687.db2.gz SQDITEJGIHZJAK-UHFFFAOYSA-N 0 0 338.411 3.175 50 30 EGEARN C=CCSc1nnc(NN=Cc2cccc(Br)c2)[nH]1 ZINC000006856153 519085809 /nfs/dbraw/zinc/08/58/09/519085809.db2.gz PWBYWERIVIYEHD-RIYZIHGNSA-N 0 0 338.234 3.291 50 30 EGEARN CCCCCCN1C(=O)C(O)=C(C(C)=O)[C@H]1c1ccccc1[N+](=O)[O-] ZINC000002060967 520077214 /nfs/dbraw/zinc/07/72/14/520077214.db2.gz XZGPEEJTXHVZCV-MRXNPFEDSA-N 0 0 346.383 3.460 50 30 EGEARN CNc1nc(N=NCc2ccc(OC)cc2)nc(Nc2ccccc2)n1 ZINC000004119089 522686373 /nfs/dbraw/zinc/68/63/73/522686373.db2.gz RCJGVUUQTITKOR-UDWIEESQSA-N 0 0 349.398 3.112 50 30 EGEARN N#C[C@@](CO)(Cc1ccc(OC(F)F)cc1)c1nc2ccccc2[nH]1 ZINC000000550207 526501372 /nfs/dbraw/zinc/50/13/72/526501372.db2.gz NGTNZHVIXMUAJC-GOSISDBHSA-N 0 0 343.333 3.161 50 30 EGEARN Cc1ccc([C@@H]2CN(C(=O)c3cccc(C#N)c3)C[C@H]2[NH+](C)C)cc1 ZINC000077485865 546587022 /nfs/dbraw/zinc/58/70/22/546587022.db2.gz FQJNGGXKAIQAIA-VQTJNVASSA-N 0 0 333.435 3.037 50 30 EGEARN N#Cc1ccc(S(=O)(=O)N2CCc3sc(Cl)cc3C2)cc1 ZINC000618256883 1298100157 /nfs/dbraw/zinc/10/01/57/1298100157.db2.gz YEDHQOUHAPWDIC-UHFFFAOYSA-N 0 0 338.841 3.020 50 30 EGEARN CC(C)(O)C#Cc1cccc(C(=O)N2CC[C@@H]2c2cccs2)c1 ZINC000952868565 1334583743 /nfs/dbraw/zinc/58/37/43/1334583743.db2.gz AKELHVWLJJANJC-MRXNPFEDSA-N 0 0 325.433 3.458 50 30 EGEARN CCOc1cc(/C=C2/C(=O)c3cccc([N+](=O)[O-])c3C2=O)ccc1O ZINC001772493199 1441416070 /nfs/dbraw/zinc/41/60/70/1441416070.db2.gz SVEHPXSDXXLURS-WQLSENKSSA-N 0 0 339.303 3.162 50 30 EGEARN C=CCn1c(CC(=O)Nc2cccc(C(F)(F)F)c2)n[nH]c1=S ZINC000004739094 210264692 /nfs/dbraw/zinc/26/46/92/210264692.db2.gz BSEOBLDHCOKODA-UHFFFAOYSA-N 0 0 342.346 3.327 50 30 EGEARN Cc1cc(NC(=O)c2ccc(C#N)nc2)ccc1NC(=O)C(C)(C)C ZINC000055053089 214268058 /nfs/dbraw/zinc/26/80/58/214268058.db2.gz WCMFFDWHSISOKZ-UHFFFAOYSA-N 0 0 336.395 3.499 50 30 EGEARN C=CCNc1ccccc1C(=O)N[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000055369336 214312498 /nfs/dbraw/zinc/31/24/98/214312498.db2.gz UUBHAHZWRZXKOY-OAHLLOKOSA-N 0 0 347.422 3.356 50 30 EGEARN Cc1cccc(C(=O)ONC(=N)c2ccc(Br)cc2)c1 ZINC000004682062 210245927 /nfs/dbraw/zinc/24/59/27/210245927.db2.gz HPZKKTINIGQDIZ-UHFFFAOYSA-N 0 0 333.185 3.235 50 30 EGEARN O=C1C[C@H](c2cccc(O)c2)C2=C(C[C@@H](c3cccs3)CC2=O)N1 ZINC000004520708 210212500 /nfs/dbraw/zinc/21/25/00/210212500.db2.gz POCQRVFBQCBVFQ-TZMCWYRMSA-N 0 0 339.416 3.458 50 30 EGEARN C=CCNC(=O)/C(=C\c1ccco1)NC(=O)c1ccccc1Cl ZINC000004507437 210209089 /nfs/dbraw/zinc/20/90/89/210209089.db2.gz PSIBCVSLNNLQNT-RVDMUPIBSA-N 0 0 330.771 3.006 50 30 EGEARN Cn1c2c(cc(F)cc2F)s/c1=N\C(=O)c1ccc(C#N)cc1 ZINC000100909253 219110935 /nfs/dbraw/zinc/11/09/35/219110935.db2.gz ROZYZHYZFNZZBN-SILNSSARSA-N 0 0 329.331 3.131 50 30 EGEARN C[C@](O)(C#C[C@@](O)(c1ccccc1)C(F)(F)F)c1ccccc1F ZINC000004334543 210172566 /nfs/dbraw/zinc/17/25/66/210172566.db2.gz YZRQUFKFGIXVJU-DLBZAZTESA-N 0 0 338.300 3.487 50 30 EGEARN CC(C)(O)C#Cc1cccc(C(=O)NCc2ccc3c(c2)CCCO3)c1 ZINC000065371839 214878552 /nfs/dbraw/zinc/87/85/52/214878552.db2.gz PLGVYVROXBMDTE-UHFFFAOYSA-N 0 0 349.430 3.064 50 30 EGEARN CO/N=C1\C[C@@H](C)Cc2c1c(-c1ccc(OC)c(OC)c1)nn2C ZINC000005211815 290849588 /nfs/dbraw/zinc/84/95/88/290849588.db2.gz SVAIKXZNZGDSLC-UGFZFLEUSA-N 0 0 329.400 3.037 50 30 EGEARN COC(=O)c1cccc(-c2cc(-c3ccc(O)cc3)nc(N)c2C#N)c1 ZINC000067678061 215182159 /nfs/dbraw/zinc/18/21/59/215182159.db2.gz UIUHFCIZDVRUFX-UHFFFAOYSA-N 0 0 345.358 3.362 50 30 EGEARN CC(C)n1cc(-c2cc(-c3ccc4c(c3)OCO4)nc(N)c2C#N)cn1 ZINC000067773592 215209087 /nfs/dbraw/zinc/20/90/87/215209087.db2.gz PNUOGHHSABCIQV-UHFFFAOYSA-N 0 0 347.378 3.376 50 30 EGEARN N#Cc1ccccc1C(=O)N1CCc2[nH]nc(-c3ccccc3F)c2C1 ZINC000067803627 215215097 /nfs/dbraw/zinc/21/50/97/215215097.db2.gz XWGIXOLNDSGNPH-UHFFFAOYSA-N 0 0 346.365 3.286 50 30 EGEARN N#Cc1cccnc1N1CCC[C@](CO)(CCOc2ccccc2)C1 ZINC000067983341 215268572 /nfs/dbraw/zinc/26/85/72/215268572.db2.gz KGWVLIWINQSIKO-FQEVSTJZSA-N 0 0 337.423 3.001 50 30 EGEARN C#CCOc1ccc(/C=C2/N=C(c3ccccc3)OC2=O)cc1OC ZINC000002126296 209822585 /nfs/dbraw/zinc/82/25/85/209822585.db2.gz HDOHDJGQHLDQIJ-FOWTUZBSSA-N 0 0 333.343 3.052 50 30 EGEARN N#Cc1ccc(C(=O)Nc2nc3cc4c(cc3s2)OCCO4)cc1 ZINC000004348383 283134582 /nfs/dbraw/zinc/13/45/82/283134582.db2.gz VAGUWQIOQUUKMO-UHFFFAOYSA-N 0 0 337.360 3.191 50 30 EGEARN N#Cc1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000000303975 283179876 /nfs/dbraw/zinc/17/98/76/283179876.db2.gz QETUGQZRNRLHLI-UHFFFAOYSA-N 0 0 337.198 3.122 50 30 EGEARN CN(C)/C=C(/C(=O)c1ncc(C(F)(F)F)cc1Cl)C(=O)C1CC1 ZINC000081220009 217370440 /nfs/dbraw/zinc/37/04/40/217370440.db2.gz WVTCJAJTXSRTHY-JXMROGBWSA-N 0 0 346.736 3.361 50 30 EGEARN COCc1cc(C)nc(SCC(=O)N[C@@H]2CCCC[C@H]2C)c1C#N ZINC000013281411 211540416 /nfs/dbraw/zinc/54/04/16/211540416.db2.gz NHUJFAZBBCPFKE-MLGOLLRUSA-N 0 0 347.484 3.195 50 30 EGEARN Cc1ccccc1CN1C(=O)[C@H](C)S/C1=N\N=C\c1ccco1 ZINC000013146746 211529914 /nfs/dbraw/zinc/52/99/14/211529914.db2.gz QTIPLPVJAAOVDO-UWWFKIDJSA-N 0 0 327.409 3.442 50 30 EGEARN CC(C)NC(=NS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000012378315 211360821 /nfs/dbraw/zinc/36/08/21/211360821.db2.gz OUYRMZJXENCWJB-UHFFFAOYSA-N 0 0 336.844 3.474 50 30 EGEARN C=CCn1c(C)c(C)c(S(=O)(=O)c2ccccc2)c1NC(=O)CC ZINC000012322587 211346524 /nfs/dbraw/zinc/34/65/24/211346524.db2.gz RFOVZSCVEMBVOU-UHFFFAOYSA-N 0 0 346.452 3.472 50 30 EGEARN C=CCS(=O)(=O)N1CCC[C@H](CCc2ccc(F)c(F)c2)C1 ZINC000012091367 211290023 /nfs/dbraw/zinc/29/00/23/211290023.db2.gz QWYQPPRPEQCCCN-CQSZACIVSA-N 0 0 329.412 3.125 50 30 EGEARN CC(C)c1ccc(C#N)c(N2CC[C@]3(C2)CCCN(C(C)C)C3=O)n1 ZINC000091663741 218042173 /nfs/dbraw/zinc/04/21/73/218042173.db2.gz QVRJVTHONJRWSI-FQEVSTJZSA-N 0 0 340.471 3.304 50 30 EGEARN C=CC[C@@]1(CO)CCCN(C(=O)Cc2cc(F)c(F)cc2Cl)C1 ZINC000091781799 218065519 /nfs/dbraw/zinc/06/55/19/218065519.db2.gz XVBBETPQDZFVTN-QGZVFWFLSA-N 0 0 343.801 3.338 50 30 EGEARN C=CCN1CC2(CCC1=O)CCN(c1cnc3ccccc3n1)CC2 ZINC000091848943 218077551 /nfs/dbraw/zinc/07/75/51/218077551.db2.gz YJDOIJWZGBSJPS-UHFFFAOYSA-N 0 0 336.439 3.025 50 30 EGEARN CSc1nnc(C(F)F)n1N=Cc1c[nH]nc1-c1ccccc1 ZINC000006413086 210631878 /nfs/dbraw/zinc/63/18/78/210631878.db2.gz PZLNHIFLJONGTR-QGMBQPNBSA-N 0 0 334.355 3.210 50 30 EGEARN O=C(CO/N=C/c1ccccc1Cl)Nc1nc2ccccc2s1 ZINC000005100323 210389389 /nfs/dbraw/zinc/38/93/89/210389389.db2.gz IOPCITXARRUFPK-GIJQJNRQSA-N 0 0 345.811 3.361 50 30 EGEARN CNc1ccc([N+](=O)[O-])cc1NC=CC(=O)c1ccc(OC)cc1 ZINC000004982061 210348388 /nfs/dbraw/zinc/34/83/88/210348388.db2.gz KXGYAOQADHKTRT-MDZDMXLPSA-N 0 0 327.340 3.454 50 30 EGEARN C=C(C)COc1ccccc1[C@H]1CC(=O)Oc2cc(C)n(C)c(=O)c21 ZINC000524734109 257842380 /nfs/dbraw/zinc/84/23/80/257842380.db2.gz XNKKHUGREGWVQW-OAHLLOKOSA-N 0 0 339.391 3.090 50 30 EGEARN O[C@H](C#Cc1ccccc1)C#CC(O)(c1ccccc1)c1ccccc1 ZINC000002473850 285347589 /nfs/dbraw/zinc/34/75/89/285347589.db2.gz DXABUTUQUQBXDJ-HSZRJFAPSA-N 0 0 338.406 3.339 50 30 EGEARN O=C1c2ccccc2O[C@@](O)(C(F)(F)F)C1=CNCc1ccccc1 ZINC000009059653 258053738 /nfs/dbraw/zinc/05/37/38/258053738.db2.gz IBGVCTQRJMPTJJ-GWKQRERASA-N 0 0 349.308 3.186 50 30 EGEARN O=C(ON=C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 ZINC000004053259 135661944 /nfs/dbraw/zinc/66/19/44/135661944.db2.gz CQIDFIGQOYTEDL-UHFFFAOYSA-N 0 0 339.351 3.408 50 30 EGEARN O=[N+]([O-])c1cc2c(cc1C=NN=c1[nH]c3ccccc3s1)OCO2 ZINC000005605072 275033994 /nfs/dbraw/zinc/03/39/94/275033994.db2.gz ILJFGBKSVRUHQJ-FRKPEAEDSA-N 0 0 342.336 3.379 50 30 EGEARN COc1ccc(N2c3nc(C)cc(C)c3C(=O)N/C2=C\C(C)=O)cc1 ZINC000004498044 277417973 /nfs/dbraw/zinc/41/79/73/277417973.db2.gz FVXZQZYCRIPCMH-MHWRWJLKSA-N 0 0 337.379 3.019 50 30 EGEARN C=CCN(CC=C)C(=O)[C@@]1(C)CC1(Br)Br ZINC000002770721 277845680 /nfs/dbraw/zinc/84/56/80/277845680.db2.gz OVASDGHEJYVBFT-SNVBAGLBSA-N 0 0 337.055 3.083 50 30 EGEARN COc1cc2nc(C(F)(F)C(F)(F)F)c(C#N)c(N)c2c(OC)c1 ZINC000004900866 277857021 /nfs/dbraw/zinc/85/70/21/277857021.db2.gz VTLRJVJJWPDFOR-UHFFFAOYSA-N 0 0 347.243 3.360 50 30 EGEARN C=CCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@H]1c1ccncc1 ZINC000013615868 277873067 /nfs/dbraw/zinc/87/30/67/277873067.db2.gz IPTHYTCXYCDMOS-SFHVURJKSA-N 0 0 346.390 3.449 50 30 EGEARN Cc1cc(C)n(-c2cc([N-][NH+]=Cc3ccc(N(C)C)cc3)nc(C)n2)n1 ZINC000032492053 278673734 /nfs/dbraw/zinc/67/37/34/278673734.db2.gz IEKNHDAPMDTVBM-NDENLUEZSA-N 0 0 349.442 3.100 50 30 EGEARN Cc1cc([N+](=O)[O-])cc2c1NC(=O)C2=NNc1cccc2cccnc21 ZINC000015018508 280657509 /nfs/dbraw/zinc/65/75/09/280657509.db2.gz UTVDWWTXVHRIBE-UHFFFAOYSA-N 0 0 347.334 3.220 50 30 EGEARN C[C@@](OS(C)(=O)=O)(c1ccc(Br)cc1)C(F)(F)F ZINC000114001163 289124572 /nfs/dbraw/zinc/12/45/72/289124572.db2.gz DOIIWOSCJOIGLQ-SECBINFHSA-N 0 0 347.152 3.203 50 30 EGEARN COc1ccc2c(c1)OC1=C(C(=O)CCC1)[C@H]2C1C(=O)CCCC1=O ZINC000000090456 295265974 /nfs/dbraw/zinc/26/59/74/295265974.db2.gz DKYAFQJXUWWMQI-GOSISDBHSA-N 0 0 340.375 3.117 50 30 EGEARN Cc1nc2ccccc2c(=O)n1/N=C\c1ccc2ccccc2c1O ZINC000039944334 302664893 /nfs/dbraw/zinc/66/48/93/302664893.db2.gz NSAWECSBDKFMHX-MTJSOVHGSA-N 0 0 329.359 3.446 50 30 EGEARN O=[N+]([O-])c1ccc(C=NN2C(=S)N=NC2C2CCCCC2)cc1 ZINC000244719162 455275717 /nfs/dbraw/zinc/27/57/17/455275717.db2.gz LYBNVDYAZKAESB-UHFFFAOYSA-N 0 0 331.401 3.405 50 30 EGEARN O=C1N/C(=N\c2ccc(F)cc2)S/C1=C\c1ccc(O)c(O)c1 ZINC000000140527 452517998 /nfs/dbraw/zinc/51/79/98/452517998.db2.gz QMJSXHGAAZRGQP-ZSOIEALJSA-N 0 0 330.340 3.129 50 30 EGEARN COc1cccc([C@@H]2NC(=S)NC(c3ccccc3)=C2C(C)=O)c1 ZINC000000484402 452606806 /nfs/dbraw/zinc/60/68/06/452606806.db2.gz RZJSYJZQEQNCLV-SFHVURJKSA-N 0 0 338.432 3.214 50 30 EGEARN COc1ccc(OC)c(-n2c(N)c(C#N)c3nc4ccccc4nc32)c1 ZINC000000500483 452607491 /nfs/dbraw/zinc/60/74/91/452607491.db2.gz HLVNGLYEHIQATA-UHFFFAOYSA-N 0 0 345.362 3.045 50 30 EGEARN N#Cc1cc(-c2ccccc2)nc(N2CCN(c3ccccc3)CC2)n1 ZINC000000509747 452610395 /nfs/dbraw/zinc/61/03/95/452610395.db2.gz CWJTZDROHVYLNO-UHFFFAOYSA-N 0 0 341.418 3.342 50 30 EGEARN N#Cc1c(N)n(CCc2ccccc2F)c2nc3ccccc3nc12 ZINC000000541510 452617538 /nfs/dbraw/zinc/61/75/38/452617538.db2.gz CXJWZXXFPGWGOF-UHFFFAOYSA-N 0 0 331.354 3.420 50 30 EGEARN N#C[C@@]1(Nc2ccc(Br)cc2)C(=O)Nc2ccccc21 ZINC000000548931 452620095 /nfs/dbraw/zinc/62/00/95/452620095.db2.gz MCKQWTDZROCLAD-HNNXBMFYSA-N 0 0 328.169 3.232 50 30 EGEARN C=C(C)Cn1c(C)cc(C)c(S(=O)(=O)c2ccccc2C)c1=O ZINC000001401505 452662634 /nfs/dbraw/zinc/66/26/34/452662634.db2.gz NCHUOHWFLDMFNZ-UHFFFAOYSA-N 0 0 331.437 3.182 50 30 EGEARN Cc1ncc(CO)c(/C=N/N=C/c2cccc(Cl)c2Cl)c1O ZINC000003003525 452740472 /nfs/dbraw/zinc/74/04/72/452740472.db2.gz YQAIAYRQADWNMB-UPICDLATSA-N 0 0 338.194 3.348 50 30 EGEARN C=CCNC(=O)c1cc(Cl)c(=O)n(Cc2ccc(Cl)cc2)c1 ZINC000003041774 452740502 /nfs/dbraw/zinc/74/05/02/452740502.db2.gz PWGQDRJCRLGCMB-UHFFFAOYSA-N 0 0 337.206 3.119 50 30 EGEARN C[C@H]1CCc2c(C#N)c(NC(=S)NC(=O)c3ccco3)sc2C1 ZINC000003096995 452741365 /nfs/dbraw/zinc/74/13/65/452741365.db2.gz AHTZTOKJEIRBTO-VIFPVBQESA-N 0 0 345.449 3.464 50 30 EGEARN N#Cc1cc(F)c(N2CCN(C(=O)c3ccccc3)CC2)cc1Cl ZINC000004575199 452807871 /nfs/dbraw/zinc/80/78/71/452807871.db2.gz UHZAMJORODEKFZ-UHFFFAOYSA-N 0 0 343.789 3.313 50 30 EGEARN NC1=NN(c2ccccc2)C(=O)C1=NNc1ccc(Cl)c(Cl)c1 ZINC000005999803 452915050 /nfs/dbraw/zinc/91/50/50/452915050.db2.gz JPOWSUBYQGQMIX-DEDYPNTBSA-N 0 0 348.193 3.080 50 30 EGEARN Cc1ccc(C[C@@H]2S/C(=N\N=C\c3ccccc3)NC2=O)cc1C ZINC000006054349 452917196 /nfs/dbraw/zinc/91/71/96/452917196.db2.gz PBVHAPDKQXTLBV-RONKMWSCSA-N 0 0 337.448 3.468 50 30 EGEARN COC(=O)C1=NN/C(=N\c2ccccc2)S[C@@H]1c1ccccc1 ZINC000006714509 452976398 /nfs/dbraw/zinc/97/63/98/452976398.db2.gz AJFSBXOQOIFTBI-OAHLLOKOSA-N 0 0 325.393 3.281 50 30 EGEARN C=C(C)CN1c2ccccc2[C@](O)(CC(=O)c2c(C)coc2C)C1=O ZINC000006729392 452978207 /nfs/dbraw/zinc/97/82/07/452978207.db2.gz XQSAJBJEGBHNLO-HXUWFJFHSA-N 0 0 339.391 3.280 50 30 EGEARN CC(N=Nc1nc(-c2ccccc2)cs1)c1ccc(O)cc1O ZINC000007350198 453064921 /nfs/dbraw/zinc/06/49/21/453064921.db2.gz NRHQNDZYHNFQHY-YBFXNURJSA-N 0 0 325.393 3.479 50 30 EGEARN C#CCn1c2ccccc2nc1[C@H]1CC(=O)N(c2ccc(OC)cc2)C1 ZINC000008606656 453218561 /nfs/dbraw/zinc/21/85/61/453218561.db2.gz NLZZCZMKRRPFRZ-HNNXBMFYSA-N 0 0 345.402 3.199 50 30 EGEARN C=CCNC(=S)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000008683488 453221444 /nfs/dbraw/zinc/22/14/44/453221444.db2.gz DJBARJXKFZWMOY-UHFFFAOYSA-N 0 0 329.391 3.299 50 30 EGEARN COc1ccc(C2CC(=O)C(=C3Nc4ccccc4N3)C(=O)C2)cc1 ZINC000009287715 453249924 /nfs/dbraw/zinc/24/99/24/453249924.db2.gz RTNBXSXCWIALLN-UHFFFAOYSA-N 0 0 334.375 3.460 50 30 EGEARN COc1cc(C=NNc2nc3ccccc3[nH]2)cc(OC)c1OC ZINC000013154468 453449929 /nfs/dbraw/zinc/44/99/29/453449929.db2.gz WXJUGVRDGAAXMB-VCHYOVAHSA-N 0 0 326.356 3.035 50 30 EGEARN N#Cc1c2c(c(-c3ccccc3)nc1OCC(=O)N1CCCC1)CCC2 ZINC000013693369 453482084 /nfs/dbraw/zinc/48/20/84/453482084.db2.gz UEPLCSFANDHXGV-UHFFFAOYSA-N 0 0 347.418 3.110 50 30 EGEARN Cc1ccc(-n2nnnc2[C@@H](C#N)C(=O)c2cccc(Cl)c2)cc1 ZINC000016311444 453599903 /nfs/dbraw/zinc/59/99/03/453599903.db2.gz JGBFUYXKTKKEHD-HNNXBMFYSA-N 0 0 337.770 3.114 50 30 EGEARN N#CC(=NNc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(Cl)cc1 ZINC000017201606 453630784 /nfs/dbraw/zinc/63/07/84/453630784.db2.gz SOLNKBICEXOWJR-RGEXLXHISA-N 0 0 328.715 3.423 50 30 EGEARN COc1cc(/C=C2\S/C(=N\c3ccccc3)NC2=O)ccc1O ZINC000018125190 453644569 /nfs/dbraw/zinc/64/45/69/453644569.db2.gz JOIUJUJSHIHBDT-GDNBJRDFSA-N 0 0 326.377 3.292 50 30 biogenic,in-vitro EGEARN O=C1CCCC2=C1C(c1ccc([N+](=O)[O-])cc1)C1=C(CCCC1=O)N2 ZINC000019849676 453659990 /nfs/dbraw/zinc/65/99/90/453659990.db2.gz GIPHOYUBFAGWEU-UHFFFAOYSA-N 0 0 338.363 3.296 50 30 EGEARN O=[N+]([O-])c1ccc(Cl)c(/C=N\NC(=S)NCc2ccccc2)c1 ZINC000030871434 453839820 /nfs/dbraw/zinc/83/98/20/453839820.db2.gz FZRAPNOIKHQFLF-ZDLGFXPLSA-N 0 0 348.815 3.246 50 30 EGEARN N#Cc1cccc(N2CCC[C@@](CO)(Cc3cccc(Cl)c3)C2)n1 ZINC000067712823 453960129 /nfs/dbraw/zinc/96/01/29/453960129.db2.gz WJBSTONTGBPDAL-LJQANCHMSA-N 0 0 341.842 3.428 50 30 EGEARN COCc1cc(C)nc(N=NCc2ccc3c(c2)CCCO3)c1C#N ZINC000095470859 454218831 /nfs/dbraw/zinc/21/88/31/454218831.db2.gz GPBXNIDWBDAFKG-SRZZPIQSSA-N 0 0 336.395 3.179 50 30 EGEARN Cc1ccccc1-c1cccc([C@H](C#CCCO)N2CCOCC2)c1 ZINC000096140856 454293235 /nfs/dbraw/zinc/29/32/35/454293235.db2.gz WZWCPAAKFBPFFN-QFIPXVFZSA-N 0 0 335.447 3.421 50 30 EGEARN N#Cc1c(N)nc2c(c1-c1ccnn1-c1ccccc1)N1CCC2CC1 ZINC000101769029 454483886 /nfs/dbraw/zinc/48/38/86/454483886.db2.gz CURBBZWIILMRHS-UHFFFAOYSA-N 0 0 342.406 3.086 50 30 EGEARN COc1ccc([C@@H]2C(=C(C)O)C(=O)C(=O)N2c2ccc(F)cc2)cc1 ZINC000102431595 454505238 /nfs/dbraw/zinc/50/52/38/454505238.db2.gz GMPNMVHBJCPPJS-ABPVARSCSA-N 0 0 341.338 3.323 50 30 EGEARN N#Cc1ccc(C(=O)N2CCC[C@]3(C=Cc4ccccc4O3)CC2)cn1 ZINC000065395282 454559095 /nfs/dbraw/zinc/55/90/95/454559095.db2.gz DVIUYNDCILBLES-NRFANRHFSA-N 0 0 345.402 3.424 50 30 EGEARN COc1cccc(C=NN2CCN(c3ccc(Cl)cc3)CC2)c1O ZINC000252320587 455803137 /nfs/dbraw/zinc/80/31/37/455803137.db2.gz CASFUZZYTGCSQZ-UHFFFAOYSA-N 0 0 345.830 3.210 50 30 EGEARN COc1ccc(C2N=NC(=S)N2N=Cc2ccccc2F)cc1 ZINC000252429452 455804230 /nfs/dbraw/zinc/80/42/30/455804230.db2.gz QNOVWJDSWSDRQP-UHFFFAOYSA-N 0 0 328.372 3.264 50 30 EGEARN CC[C@@]12OC(=N)[C@@](C#N)([C@@H]1C)C(C#N)(C#N)[C@H](c1ccc(C)cc1)O2 ZINC000230027497 456132739 /nfs/dbraw/zinc/13/27/39/456132739.db2.gz PSEFZTALOJAXRE-JECZMYCTSA-N 0 0 334.379 3.360 50 30 EGEARN Cc1nn(C)c(C)c1[C@@H](NC(=O)c1cnccc1C)C(F)(F)F ZINC000331180189 457143103 /nfs/dbraw/zinc/14/31/03/457143103.db2.gz LIBWHPZAGUJEJO-CYBMUJFWSA-N 0 0 326.322 3.349 50 30 EGEARN N#Cc1ccc(S(=O)(=O)NCc2ccc(-c3cccs3)o2)cc1 ZINC000575608967 459980998 /nfs/dbraw/zinc/98/09/98/459980998.db2.gz MHSJFBCVNSPMSS-UHFFFAOYSA-N 0 0 344.417 3.358 50 30 EGEARN C=CCN1C[C@@H](C(=O)N(CCCC)Cc2ccsc2)CCC1=O ZINC000055413412 518869265 /nfs/dbraw/zinc/86/92/65/518869265.db2.gz DCQLHYMLOZRXIA-INIZCTEOSA-N 0 0 334.485 3.301 50 30 EGEARN CCCCCCCc1c(O)nc(SCC[NH+](CC)CC)[n-]c1=O ZINC000029747413 520070569 /nfs/dbraw/zinc/07/05/69/520070569.db2.gz LXXBYKVHXTWHGY-UHFFFAOYSA-N 0 0 341.521 3.422 50 30 EGEARN CC[C@@H](C)n1c(SCC(=O)NCCC#N)nnc1-c1ccccc1 ZINC000058209290 522452768 /nfs/dbraw/zinc/45/27/68/522452768.db2.gz ZWBLDYMZAPBYRB-CYBMUJFWSA-N 0 0 343.456 3.038 50 30 EGEARN COc1ccc2c(c1)CC/C2=N/OC(=O)c1cc(OC)cc(OC)c1 ZINC000005090944 525511702 /nfs/dbraw/zinc/51/17/02/525511702.db2.gz ADPVFDGLBFBNDI-ZZEZOPTASA-N 0 0 341.363 3.220 50 30 EGEARN CC(C)CN/C(=N\c1ccc([N+](=O)[O-])cc1)n1nnc2ccccc21 ZINC000006364233 1291044020 /nfs/dbraw/zinc/04/40/20/1291044020.db2.gz WEHUETAMWOXKMV-UHFFFAOYSA-N 0 0 338.371 3.121 50 30 EGEARN C=CCCC(=O)N1CC[C@]2(C1)CCCN(Cc1cccc(C)c1)C2=O ZINC000012594436 1291133285 /nfs/dbraw/zinc/13/32/85/1291133285.db2.gz FWLJPKYTTRVLBE-NRFANRHFSA-N 0 0 340.467 3.302 50 30 EGEARN Cc1ccc(-c2nc(C#N)c(S(=O)(=O)N3CCCC[C@H]3C)o2)cc1 ZINC000826802947 1320405220 /nfs/dbraw/zinc/40/52/20/1320405220.db2.gz VJMCJVGNEWYXTL-CYBMUJFWSA-N 0 0 345.424 3.085 50 30 EGEARN C=CC[C@H]1C=C(C)C[C@H](CC=C)[N@H+]1Cc1cc(=O)n2[n-]c(C)cc2n1 ZINC001704329050 1416445695 /nfs/dbraw/zinc/44/56/95/1416445695.db2.gz SIYHVBJFCZPNJU-ROUUACIJSA-N 0 0 338.455 3.372 50 30 EGEARN C=C(C)COc1ccccc1C(=O)N(C)[C@@H](COC)c1ccccn1 ZINC000055119448 214277025 /nfs/dbraw/zinc/27/70/25/214277025.db2.gz VRDPUUANZQVVFS-SFHVURJKSA-N 0 0 340.423 3.496 50 30 EGEARN C=C(C)COc1ccccc1C(=O)N[C@@H](C)c1cn2ncsc2n1 ZINC000055327798 214307904 /nfs/dbraw/zinc/30/79/04/214307904.db2.gz ARQAFSPKUYHDMI-LBPRGKRZSA-N 0 0 342.424 3.237 50 30 EGEARN CCC(NCCc1nc2ccccc2[nH]1)=C1C(=O)CC(C)(C)CC1=O ZINC000100160985 219092947 /nfs/dbraw/zinc/09/29/47/219092947.db2.gz XCDHFEHCLZUSRI-UHFFFAOYSA-N 0 0 339.439 3.317 50 30 EGEARN C=CCNC(=O)c1cc(Br)cc(Br)c1OC ZINC000004506988 210208955 /nfs/dbraw/zinc/20/89/55/210208955.db2.gz CPMFUFMQTJDEEJ-UHFFFAOYSA-N 0 0 349.022 3.136 50 30 EGEARN CSc1nc2n(n1)[C@@H](c1ccc(F)cc1)C1C(=O)CCCC1=N2 ZINC000004436051 210191741 /nfs/dbraw/zinc/19/17/41/210191741.db2.gz AYIOOYWUWUCYFS-AWEZNQCLSA-N 0 0 330.388 3.161 50 30 EGEARN C[C@@](O)(C#C[C@@](O)(c1ccccc1)C(F)(F)F)c1cccc(F)c1 ZINC000004334546 210173261 /nfs/dbraw/zinc/17/32/61/210173261.db2.gz HHUJOCNZCDDYGB-IAGOWNOFSA-N 0 0 338.300 3.487 50 30 EGEARN CC(=O)N1CCc2c(C#N)c(NC(=O)c3ccccc3C)sc2C1 ZINC000004275245 210158188 /nfs/dbraw/zinc/15/81/88/210158188.db2.gz CVYWBAPMWDMTCL-UHFFFAOYSA-N 0 0 339.420 3.085 50 30 EGEARN Cc1ccccc1NC(=O)[C@@H]1CCCN1/C=C/C(=O)C(F)(F)F ZINC000004119675 210125274 /nfs/dbraw/zinc/12/52/74/210125274.db2.gz MEHHQQRKKPKTMC-FROQITRMSA-N 0 0 326.318 3.043 50 30 EGEARN Cc1ccc(NC(=O)[C@H]2CCCN2/C=C/C(=O)C(F)(F)F)c(C)c1 ZINC000004119707 210124805 /nfs/dbraw/zinc/12/48/05/210124805.db2.gz HOHCGXPTTVVPDD-RCQQVGEISA-N 0 0 340.345 3.351 50 30 EGEARN COc1cc([O-])c(C(=O)/C=C/c2ccc(OC)c(OC)c2)c(OC)c1 ZINC000004100776 210118421 /nfs/dbraw/zinc/11/84/21/210118421.db2.gz CEBBHGDAHZDJTP-FNORWQNLSA-N 0 0 344.363 3.323 50 30 EGEARN N#Cc1ccccc1NC(=O)CSc1nnc(-c2ccccc2)o1 ZINC000003327501 210008210 /nfs/dbraw/zinc/00/82/10/210008210.db2.gz CSEVOJQNTGHUBW-UHFFFAOYSA-N 0 0 336.376 3.339 50 30 EGEARN N#Cc1c(N)nc(C2CC2)cc1-c1cnc(NCc2ccccc2)nc1 ZINC000067855740 215233840 /nfs/dbraw/zinc/23/38/40/215233840.db2.gz FBIZPSMEWHDUNV-UHFFFAOYSA-N 0 0 342.406 3.482 50 30 EGEARN N#Cc1c(NC(=S)NC(=O)c2cccs2)sc2c1CCC2 ZINC000002364829 209844653 /nfs/dbraw/zinc/84/46/53/209844653.db2.gz FHJYAGNFBALNRQ-UHFFFAOYSA-N 0 0 333.463 3.297 50 30 EGEARN Cc1nc(C#N)c(N2CCC(c3nc(-c4ccccc4)no3)CC2)o1 ZINC000032593950 212813378 /nfs/dbraw/zinc/81/33/78/212813378.db2.gz WHTXIPBREJCHLU-UHFFFAOYSA-N 0 0 335.367 3.289 50 30 EGEARN N#Cc1ccc(S(=O)(=O)N2CCS[C@H](c3ccco3)CC2)cc1 ZINC000219454548 241388461 /nfs/dbraw/zinc/38/84/61/241388461.db2.gz QPMJBXZDOKIWRZ-INIZCTEOSA-N 0 0 348.449 3.020 50 30 EGEARN N#Cc1nc(Cc2cccc3ccccc32)oc1N1CCC(O)CC1 ZINC000227154937 242123100 /nfs/dbraw/zinc/12/31/00/242123100.db2.gz NNVCYDZKSJSENH-UHFFFAOYSA-N 0 0 333.391 3.251 50 30 EGEARN C=C(C)Cn1c2c(c(=O)[nH]c1=S)CN([C@H](C)c1ccccc1)CN2 ZINC000020567557 212147620 /nfs/dbraw/zinc/14/76/20/212147620.db2.gz HHADENGWRXKHNL-CYBMUJFWSA-N 0 0 342.468 3.428 50 30 EGEARN N#Cc1nc(-c2ccccc2Cl)oc1NCCCN1CCOCC1 ZINC000020132586 212103836 /nfs/dbraw/zinc/10/38/36/212103836.db2.gz KIOMSTTUBSHRPL-UHFFFAOYSA-N 0 0 346.818 3.001 50 30 EGEARN N#Cc1c(N)nc(Sc2ccccc2O)c(C#N)c1-c1cccnc1 ZINC000020094664 212100528 /nfs/dbraw/zinc/10/05/28/212100528.db2.gz LGTIHIBSTASLOY-UHFFFAOYSA-N 0 0 345.387 3.326 50 30 EGEARN C=CCn1c2ccccc2n(C[C@H](O)c2ccc(Cl)cc2)c1=N ZINC000019854806 212076700 /nfs/dbraw/zinc/07/67/00/212076700.db2.gz XYQHBZYXGYAYDS-KRWDZBQOSA-N 0 0 327.815 3.495 50 30 EGEARN CC(=O)N=C(Nc1ccc(C)cc1Cl)Nc1nc(C)cc(C)n1 ZINC000013154176 211530932 /nfs/dbraw/zinc/53/09/32/211530932.db2.gz LSYVZHWYHODZBO-UHFFFAOYSA-N 0 0 331.807 3.482 50 30 EGEARN C=CCCC(=O)NC[C@@H]1Cc2cc(-c3cncnc3)cc(Cl)c2O1 ZINC000012212748 211322859 /nfs/dbraw/zinc/32/28/59/211322859.db2.gz XWUBKTVDCQYLIR-HNNXBMFYSA-N 0 0 343.814 3.183 50 30 EGEARN C=CCNC(=O)c1cc(CN2CCC(Cc3ccccc3)CC2)on1 ZINC000011996820 211277376 /nfs/dbraw/zinc/27/73/76/211277376.db2.gz MSLPLGOMFJQOMY-UHFFFAOYSA-N 0 0 339.439 3.045 50 30 EGEARN COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2C)cc1 ZINC000009089565 211038866 /nfs/dbraw/zinc/03/88/66/211038866.db2.gz IKFHBODSZAZPEZ-QGZVFWFLSA-N 0 0 337.375 3.212 50 30 EGEARN Cc1nn(C)cc1CN=Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000006184721 210597247 /nfs/dbraw/zinc/59/72/47/210597247.db2.gz AIXPRJWTKFTOFM-UBKPWBPPSA-N 0 0 327.266 3.102 50 30 EGEARN Cc1ccccc1C[C@H]1S/C(=N/N=C/c2ccccc2F)NC1=O ZINC000005061110 210379722 /nfs/dbraw/zinc/37/97/22/210379722.db2.gz WCLQZOYURLVRTC-MBTVCVBTSA-N 0 0 341.411 3.298 50 30 EGEARN C=CCNC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccco1)N2 ZINC000005043599 210372371 /nfs/dbraw/zinc/37/23/71/210372371.db2.gz OZNIKQGFKQLHMX-JOYOIKCWSA-N 0 0 340.305 3.052 50 30 EGEARN COC(=O)c1ccc([C@H]2[C@H](C(=O)c3ccccc3)C2(C#N)C#N)cc1 ZINC000004899162 210316654 /nfs/dbraw/zinc/31/66/54/210316654.db2.gz YRMIDASIVMKUSC-DLBZAZTESA-N 0 0 330.343 3.103 50 30 EGEARN C=CCN(c1ccc(C(=O)Nc2ccccc2F)cc1)S(C)(=O)=O ZINC000004839764 210294434 /nfs/dbraw/zinc/29/44/34/210294434.db2.gz LNYYBUDVTLKBCY-UHFFFAOYSA-N 0 0 348.399 3.030 50 30 EGEARN Oc1ccc(C=NN2C(=S)N=NC2c2ccccc2Cl)cc1 ZINC000001269008 257929243 /nfs/dbraw/zinc/92/92/43/257929243.db2.gz LWTBHSOPYMCADE-RQZCQDPDSA-N 0 0 330.800 3.475 50 30 EGEARN C=CCOC(=O)c1sc(NC(=O)COc2ccccc2C)nc1C ZINC000004185188 258047063 /nfs/dbraw/zinc/04/70/63/258047063.db2.gz HGCJTFCWEUZQIL-UHFFFAOYSA-N 0 0 346.408 3.120 50 30 EGEARN N#Cc1ccc(N2CC[C@@H](c3ccc4ccccc4c3)[C@H](O)C2)nc1 ZINC000067790025 132812739 /nfs/dbraw/zinc/81/27/39/132812739.db2.gz ZSQDTBRYSKBMIG-VQTJNVASSA-N 0 0 329.403 3.461 50 30 EGEARN Cc1ccc(O)c([C@@H]2c3c(=O)[nH][nH]c3NC3=C2C(=O)c2ccccc23)c1 ZINC000018196216 292165903 /nfs/dbraw/zinc/16/59/03/292165903.db2.gz GHFONLVPGTTXLS-AWEZNQCLSA-N 0 0 345.358 3.294 50 30 EGEARN CCOc1nc2c(c3nc[nH]c(=O)c3n2C)c(-c2ccccc2)c1C#N ZINC000008706673 276385359 /nfs/dbraw/zinc/38/53/59/276385359.db2.gz JCXUPBDTLCGPHU-UHFFFAOYSA-N 0 0 345.362 3.159 50 30 EGEARN Cc1ccc(S(=O)(=O)/N=C(\c2ccccc2)N2CCCC2)cc1 ZINC000002709210 301658641 /nfs/dbraw/zinc/65/86/41/301658641.db2.gz HFOBGVHNBOVDLI-VHEBQXMUSA-N 0 0 328.437 3.226 50 30 EGEARN N#CC1(C#N)[C@H]2CCCC[C@]23OC(=N)[C@@]1(C#N)[C@@H](c1ccccc1)O3 ZINC000004572926 303138857 /nfs/dbraw/zinc/13/88/57/303138857.db2.gz YDHPTFXGAJFNQY-RGCFKVTRSA-N 0 0 332.363 3.195 50 30 EGEARN CC(C)(C)NC1=C(n2nnc3ccccc32)C(=O)c2ccccc2C1=O ZINC000000091666 452503802 /nfs/dbraw/zinc/50/38/02/452503802.db2.gz MJZJPQRNRBWJJP-UHFFFAOYSA-N 0 0 346.390 3.067 50 30 EGEARN CSc1nnc(C(C)(C)C)c(=O)n1/N=C/c1ccc(Cl)cc1 ZINC000000093533 452506242 /nfs/dbraw/zinc/50/62/42/452506242.db2.gz JOMAZPWCPYLWLB-RQZCQDPDSA-N 0 0 336.848 3.193 50 30 EGEARN O=c1c2c(-c3ccccc3)csc2ncn1/N=C/c1ccccn1 ZINC000000126092 452513837 /nfs/dbraw/zinc/51/38/37/452513837.db2.gz CLMJMXQKIMXMJH-UFFVCSGVSA-N 0 0 332.388 3.402 50 30 EGEARN COc1ccc(/C=C/C(=O)NC(=S)Nc2ccccc2C#N)cc1 ZINC000000267129 452549863 /nfs/dbraw/zinc/54/98/63/452549863.db2.gz AAPABKAWMCTXLD-DHZHZOJOSA-N 0 0 337.404 3.093 50 30 EGEARN CC1=CC(=O)C=C(C)C1=NOC(=O)c1ccccc1Br ZINC000000265571 452549922 /nfs/dbraw/zinc/54/99/22/452549922.db2.gz QBYFWOGSSPKKJE-UHFFFAOYSA-N 0 0 334.169 3.437 50 30 EGEARN COc1cc(/C=N/NC(N)=S)ccc1OCc1ccc(Cl)cc1 ZINC000000478850 452604437 /nfs/dbraw/zinc/60/44/37/452604437.db2.gz HZWOMCUJMYGUAX-DJKKODMXSA-N 0 0 349.843 3.095 50 30 EGEARN COc1cc(/C=N/NC(N)=S)ccc1OCc1cccc(Cl)c1 ZINC000000478830 452604461 /nfs/dbraw/zinc/60/44/61/452604461.db2.gz JIBVFHQJLVHFGD-DJKKODMXSA-N 0 0 349.843 3.095 50 30 EGEARN N#Cc1nc(COc2cccc(Cl)c2)oc1NC[C@@H]1CCCO1 ZINC000000539562 452617821 /nfs/dbraw/zinc/61/78/21/452617821.db2.gz GRBJORXBTVSGTL-ZDUSSCGKSA-N 0 0 333.775 3.370 50 30 EGEARN Cc1nc2c3cc(F)ccc3[nH]c2c(=O)n1/N=C/c1cccc(F)c1 ZINC000000552237 452620337 /nfs/dbraw/zinc/62/03/37/452620337.db2.gz MAIBUAMHANSZNO-ZVBGSRNCSA-N 0 0 338.317 3.347 50 30 EGEARN CCCc1nc2ccccc2c(=O)n1/N=C/c1cccc([N+](=O)[O-])c1 ZINC000000547545 452620860 /nfs/dbraw/zinc/62/08/60/452620860.db2.gz SJUBIYYAKQBGSN-XDHOZWIPSA-N 0 0 336.351 3.139 50 30 EGEARN S=C(N/N=C/c1ccc2c(c1)OCO2)Nc1cccc(Cl)c1 ZINC000000731289 452633064 /nfs/dbraw/zinc/63/30/64/452633064.db2.gz BSYMDXKKVXQTIW-CAOOACKPSA-N 0 0 333.800 3.389 50 30 EGEARN Oc1ccc2ccccc2c1C=NN1C(=S)N=NC1c1ccccn1 ZINC000001249678 452648454 /nfs/dbraw/zinc/64/84/54/452648454.db2.gz MZHCWSQYPLTGMR-RGVLZGJSSA-N 0 0 347.403 3.370 50 30 EGEARN O=C(CN=Nc1ncc(C(F)(F)F)cc1Cl)c1ccccn1 ZINC000001383330 452656422 /nfs/dbraw/zinc/65/64/22/452656422.db2.gz YMZYHDROAAZMAJ-IFRROFPPSA-N 0 0 328.681 3.429 50 30 EGEARN COc1ccc(C(=O)Nc2sc3c(c2C#N)CCC3)c(OC)c1 ZINC000001514812 452667464 /nfs/dbraw/zinc/66/74/64/452667464.db2.gz IGQSGVQDKBRPPG-UHFFFAOYSA-N 0 0 328.393 3.378 50 30 EGEARN Cc1nc2n(n1)[C@H](c1cc(F)cc(F)c1)C1C(=O)C[C@H](C)CC1=N2 ZINC000004488253 452803640 /nfs/dbraw/zinc/80/36/40/452803640.db2.gz MYIJKDQIDFCTBY-VPTHRUTESA-N 0 0 330.338 3.133 50 30 EGEARN CCOC(=O)C(N=Nc1ncnc2ccccc21)c1cccs1 ZINC000004536975 452807129 /nfs/dbraw/zinc/80/71/29/452807129.db2.gz TXJKOMMSSWTHSI-RGEXLXHISA-N 0 0 326.381 3.071 50 30 EGEARN C=CCN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)NCCC ZINC000005354237 452863071 /nfs/dbraw/zinc/86/30/71/452863071.db2.gz XJNPUBPILHQIMK-UHFFFAOYSA-N 0 0 334.807 3.498 50 30 EGEARN COC(=O)[C@H](C)Oc1ccc2c(c1C)O/C(=C\c1ccco1)C2=O ZINC000005397446 452867622 /nfs/dbraw/zinc/86/76/22/452867622.db2.gz ULPFHLQSWSCNCQ-GPILYODUSA-N 0 0 328.320 3.145 50 30 EGEARN COc1cc(C=NNc2nc3ccccc3s2)cc(OC)c1O ZINC000005512391 452880918 /nfs/dbraw/zinc/88/09/18/452880918.db2.gz DAUUWQJFFMJEJH-RQZCQDPDSA-N 0 0 329.381 3.465 50 30 EGEARN COc1ccc(C(=O)C2=C(O)C(=O)N(C)[C@H]2c2ccc(C)cc2)cc1 ZINC000005687232 452895074 /nfs/dbraw/zinc/89/50/74/452895074.db2.gz AJOUVKPQJSPPNF-KRWDZBQOSA-N 0 0 337.375 3.212 50 30 EGEARN CCCCNc1nc(N2CCCCC2)c(C#N)c2c1CN(C)CC2 ZINC000005736789 452899281 /nfs/dbraw/zinc/89/92/81/452899281.db2.gz JVFKRZPBFWFWDV-UHFFFAOYSA-N 0 0 327.476 3.143 50 30 EGEARN CC(C)[C@H]1Cc2c(C#N)c(N)n(-c3ccc(Cl)cc3)c(=O)c2CO1 ZINC000006759150 452984409 /nfs/dbraw/zinc/98/44/09/452984409.db2.gz BHLZQGXUFGONGB-MRXNPFEDSA-N 0 0 343.814 3.042 50 30 EGEARN CCc1ccc(C[C@@H]2S/C(=N\N=C\c3ccco3)NC2=O)cc1 ZINC000008200760 453176010 /nfs/dbraw/zinc/17/60/10/453176010.db2.gz QLSRNIDZECFFQB-LZNAANCOSA-N 0 0 327.409 3.006 50 30 EGEARN CC1(C)CC(=O)C2=C(C1)Nc1[nH][nH]c(=O)c1[C@H]2c1ccccc1F ZINC000012348642 453355983 /nfs/dbraw/zinc/35/59/83/453355983.db2.gz VROWFWQGPKMLPZ-ZDUSSCGKSA-N 0 0 327.359 3.455 50 30 EGEARN C=CCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@@H]1c1ccncc1 ZINC000013615872 453475164 /nfs/dbraw/zinc/47/51/64/453475164.db2.gz IPTHYTCXYCDMOS-GOSISDBHSA-N 0 0 346.390 3.449 50 30 EGEARN Cc1ccsc1/C=C1\Oc2cc(OS(C)(=O)=O)ccc2C1=O ZINC000013786765 453487575 /nfs/dbraw/zinc/48/75/75/453487575.db2.gz CCFIFFAVVMUJIW-JYRVWZFOSA-N 0 0 336.390 3.011 50 30 EGEARN NC(=NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000015777243 453584904 /nfs/dbraw/zinc/58/49/04/453584904.db2.gz FUUHWOIGRQUJPU-UHFFFAOYSA-N 0 0 329.208 3.088 50 30 EGEARN Cc1ccc(-n2nnnc2[C@@H](C#N)C(=O)c2ccc(Cl)cc2)cc1 ZINC000016311427 453600091 /nfs/dbraw/zinc/60/00/91/453600091.db2.gz MFLKKHJSDUXLMI-HNNXBMFYSA-N 0 0 337.770 3.114 50 30 EGEARN COc1cc(/C=N\N2CCN(c3ccc(Cl)cc3)CC2)ccc1O ZINC000016677854 453619492 /nfs/dbraw/zinc/61/94/92/453619492.db2.gz WONLIVGPSZKNTM-MOSHPQCFSA-N 0 0 345.830 3.210 50 30 EGEARN O=C1C[C@H](c2ccccc2)CC2=Nc3nnnn3[C@@H](c3ccccc3)C12 ZINC000018200749 453647602 /nfs/dbraw/zinc/64/76/02/453647602.db2.gz VZSJHKCKKLCYOC-BEFAXECRSA-N 0 0 343.390 3.089 50 30 EGEARN O=C(CC1=C(c2ccccc2)CCC1=O)N1Cc2ccccc2[C@@H](O)C1 ZINC000082099319 453923949 /nfs/dbraw/zinc/92/39/49/453923949.db2.gz SBJPBGUCBBISMD-NRFANRHFSA-N 0 0 347.414 3.269 50 30 EGEARN CCOc1ccccc1NC(=O)[C@@H](C#N)Cc1ccc(O)c(OC)c1 ZINC000057523408 454134633 /nfs/dbraw/zinc/13/46/33/454134633.db2.gz CLHRAWKSLAOOTM-CQSZACIVSA-N 0 0 340.379 3.120 50 30 EGEARN COc1ccccc1OCC#CCNC(=O)Cc1ccccc1Cl ZINC000090610389 454327081 /nfs/dbraw/zinc/32/70/81/454327081.db2.gz HBRDACXQWQSKNL-UHFFFAOYSA-N 0 0 343.810 3.090 50 30 EGEARN CC(=O)C1C(=O)[C@H]2c3c[nH]c4cccc(c43)C[C@@H]2C(C)(C)N(C)C1=O ZINC000101145329 454469484 /nfs/dbraw/zinc/46/94/84/454469484.db2.gz WJCPGKDPOYBOOJ-QXBIRMTDSA-N 0 0 338.407 3.076 50 30 EGEARN Cc1ccccc1NC(=O)[C@H](C#N)Cc1c(C)[nH]c2ccccc2c1=O ZINC000065365644 454553822 /nfs/dbraw/zinc/55/38/22/454553822.db2.gz YJTIVGXHHAJKMM-HNNXBMFYSA-N 0 0 345.402 3.466 50 30 EGEARN COC(=O)c1cc(C(=O)/C=C/N(C)C)ccc1OCc1ccccc1 ZINC000141988310 454833234 /nfs/dbraw/zinc/83/32/34/454833234.db2.gz IKWWKQRJXXTTQB-VAWYXSNFSA-N 0 0 339.391 3.310 50 30 EGEARN OCCn1c2ccc3ccccc3c2nc1NN=Cc1ccccc1O ZINC000252679452 455828107 /nfs/dbraw/zinc/82/81/07/455828107.db2.gz MRWXHKXZVWTVAC-UHFFFAOYSA-N 0 0 346.390 3.333 50 30 EGEARN C[C@@]12C[C@@H](O)[C@@H]3[C@H](CCC4=CC(=O)C=C[C@@]43C)[C@H]1CC/C2=C/CO ZINC000257356031 455898071 /nfs/dbraw/zinc/89/80/71/455898071.db2.gz FIMYJWIQTVIDQB-JRSSNDGBSA-N 0 0 328.452 3.184 50 30 EGEARN N#Cc1cc(-c2ccc(C(=O)N3CCCC[C@@H]3CO)cc2)ccc1F ZINC000426627885 457865415 /nfs/dbraw/zinc/86/54/15/457865415.db2.gz ZDLMNQMWKMBWQI-GOSISDBHSA-N 0 0 338.382 3.351 50 30 EGEARN Cc1ccc(-c2nc(C#N)c(S(=O)(=O)Cc3ccccc3)o2)cc1 ZINC000170623850 534205676 /nfs/dbraw/zinc/20/56/76/534205676.db2.gz WFGRLLWZUBLHNX-UHFFFAOYSA-N 0 0 338.388 3.496 50 30 EGEARN C#CCN(CC=C)Cc1nc(-c2cc(OC)ccc2OC)oc1C ZINC000020999731 518259071 /nfs/dbraw/zinc/25/90/71/518259071.db2.gz XRKSPAUHRZFCJU-UHFFFAOYSA-N 0 0 326.396 3.288 50 30 EGEARN CCCCOCCCN1CC(=O)C(c2nc3ccccc3s2)=C1N ZINC000005010624 520745054 /nfs/dbraw/zinc/74/50/54/520745054.db2.gz AFQUVCJQWUEWSE-UHFFFAOYSA-N 0 0 345.468 3.015 50 30 EGEARN COCc1cc(C)nc(N=NCc2ccc(C)c([N+](=O)[O-])c2)c1C#N ZINC000016347804 522918415 /nfs/dbraw/zinc/91/84/15/522918415.db2.gz UWSWZZLARFHVSY-DJKKODMXSA-N 0 0 339.355 3.071 50 30 EGEARN COc1ccc(OC)c(/C=C/C(=O)c2cc(OC)c(O)c(OC)c2)c1 ZINC000048057045 524801163 /nfs/dbraw/zinc/80/11/63/524801163.db2.gz LSFVPVUVPZXWOA-FNORWQNLSA-N 0 0 344.363 3.323 50 30 EGEARN Cc1cc(=NN=Cc2ccc(O)cc2O)nc(NCc2ccccc2)[nH]1 ZINC000004812384 525044396 /nfs/dbraw/zinc/04/43/96/525044396.db2.gz AAJFGGUEQQNIBO-CIAFOILYSA-N 0 0 349.394 3.254 50 30 EGEARN Cn1cc(C[C@H](C#N)C(=O)NCCc2ccccc2)c2ccccc21 ZINC000044918028 527232415 /nfs/dbraw/zinc/23/24/15/527232415.db2.gz WCVZZCOXAMUPTR-QGZVFWFLSA-N 0 0 331.419 3.219 50 30 EGEARN O[C@@H](c1ccco1)C(N=Nc1nncc2ccccc21)c1ccco1 ZINC000030955047 527682271 /nfs/dbraw/zinc/68/22/71/527682271.db2.gz IUWGKLDDHDTTAN-IMGOXIFKSA-N 0 0 334.335 3.366 50 30 EGEARN Cc1cc2c(nc1C#C[Si](C)(C)C)OCCN2C(=O)C(C)(C)C ZINC000169794259 574802986 /nfs/dbraw/zinc/80/29/86/574802986.db2.gz FKZBSJMWTIOEEB-UHFFFAOYSA-N 0 0 330.504 3.390 50 30 EGEARN C=CCNC(=O)N1CC[C@]2(C1)CCCN(CCC1CCCCC1)C2=O ZINC000011765989 1291128155 /nfs/dbraw/zinc/12/81/55/1291128155.db2.gz PVZCMCBIUHSJCV-FQEVSTJZSA-N 0 0 347.503 3.167 50 30 EGEARN CC(C)(O)C#Cc1ccc(C(=O)N2CCCC[C@H]2c2nccs2)o1 ZINC000952973471 1334627855 /nfs/dbraw/zinc/62/78/55/1334627855.db2.gz LGWNXSPSPGRYCO-AWEZNQCLSA-N 0 0 344.436 3.226 50 30 EGEARN COC[C@H](C)N(Cc1cccc(F)c1)C(=O)c1ccc(C#N)cc1 ZINC000952986787 1334630843 /nfs/dbraw/zinc/63/08/43/1334630843.db2.gz FRLXLHLUEKIASL-AWEZNQCLSA-N 0 0 326.371 3.375 50 30 EGEARN C=CCn1cc(CNCc2cc(-c3ccccc3OC)no2)c(C)n1 ZINC000055200143 214288009 /nfs/dbraw/zinc/28/80/09/214288009.db2.gz IVYRRXKHJCNCHN-UHFFFAOYSA-N 0 0 338.411 3.331 50 30 EGEARN Cc1cnn([C@@H](C)C2CC2)c1NC(=O)c1ccc(C#CC(C)(C)O)o1 ZINC000055228641 214292495 /nfs/dbraw/zinc/29/24/95/214292495.db2.gz AMVZZZLAJWQEHD-ZDUSSCGKSA-N 0 0 341.411 3.130 50 30 EGEARN CCCCCCCCCCCCCC(=O)N[C@H](CO)C(=O)OC ZINC000097950603 219064179 /nfs/dbraw/zinc/06/41/79/219064179.db2.gz BZVCUBJEPHSGJB-MRXNPFEDSA-N 0 0 329.481 3.338 50 30 EGEARN CC(C)(C)OC(=O)Nc1nc(-c2ccccc2)c(/C(N)=N/O)s1 ZINC000098071648 219077963 /nfs/dbraw/zinc/07/79/63/219077963.db2.gz LNWPHJVTAKPDFA-UHFFFAOYSA-N 0 0 334.401 3.252 50 30 EGEARN COc1ccc(N2CCN(c3ccc(/C(C)=N\O)s3)CC2)cc1 ZINC000100346568 219097486 /nfs/dbraw/zinc/09/74/86/219097486.db2.gz NLHZLOBBRBXGLF-AQTBWJFISA-N 0 0 331.441 3.282 50 30 EGEARN CCSc1nc2n(n1)[C@@H](c1ccccc1)C1C(=O)CCCC1=N2 ZINC000004436128 210192672 /nfs/dbraw/zinc/19/26/72/210192672.db2.gz JKAJNXZZXGYGAX-HNNXBMFYSA-N 0 0 326.425 3.412 50 30 EGEARN O=C(Cc1nc2cc(Cl)ccc2oc1=O)c1ccc([N+](=O)[O-])cc1 ZINC000100820659 219108307 /nfs/dbraw/zinc/10/83/07/219108307.db2.gz LAVSMKHFKHBYHW-MDWZMJQESA-N 0 0 344.710 3.346 50 30 EGEARN CCOC(=O)c1c(NC=C2C(=O)CCCC2=O)sc2c1CCCC2 ZINC000101012658 219113669 /nfs/dbraw/zinc/11/36/69/219113669.db2.gz XMVOYKOXAMVGDR-UHFFFAOYSA-N 0 0 347.436 3.422 50 30 EGEARN COc1ccc2c(c1)O/C(=C\c1ccc(OC(C)=O)c(OC)c1)C2=O ZINC000004339905 210176048 /nfs/dbraw/zinc/17/60/48/210176048.db2.gz QIPACIOUKIEESI-NVMNQCDNSA-N 0 0 340.331 3.245 50 30 biogenic EGEARN CCc1ccccc1NC(=O)[C@@H]1CCCN1/C=C/C(=O)C(F)(F)F ZINC000004119679 210124705 /nfs/dbraw/zinc/12/47/05/210124705.db2.gz NEDJFOBCPUYDIZ-MARXPDLDSA-N 0 0 340.345 3.297 50 30 EGEARN C#CC1(NS(=O)(=O)c2ccccc2C(F)(F)F)CCCCC1 ZINC000004108972 210122080 /nfs/dbraw/zinc/12/20/80/210122080.db2.gz QRQGUVQUPKMGAU-UHFFFAOYSA-N 0 0 331.359 3.320 50 30 EGEARN COc1ccnc(Oc2ccc(Cl)cc2)c1C(=O)/N=C/N(C)C ZINC000004024314 210101718 /nfs/dbraw/zinc/10/17/18/210101718.db2.gz JHWLFFKLJMAWEI-VXLYETTFSA-N 0 0 333.775 3.266 50 30 EGEARN N#Cc1c(N)nc(-c2cccnc2)cc1-c1cccn1-c1cccnc1 ZINC000067821703 215222470 /nfs/dbraw/zinc/22/24/70/215222470.db2.gz UKBQOJGVPXNCHH-UHFFFAOYSA-N 0 0 338.374 3.450 50 30 EGEARN COC(=O)[C@@]12CC(C)(C)C[C@@](C)(CC3=C1C(=O)/C(=N/N)C(C)(C)C3)C2 ZINC000103750340 219322658 /nfs/dbraw/zinc/32/26/58/219322658.db2.gz FEZZIAMQVRGBHX-ZMQDARQRSA-N 0 0 346.471 3.376 50 30 EGEARN Fc1cccc(Cl)c1C=NN1C(=S)N=NC1c1ccncc1 ZINC000001260480 209721364 /nfs/dbraw/zinc/72/13/64/209721364.db2.gz QPXOTMDMICNERR-QGMBQPNBSA-N 0 0 333.779 3.304 50 30 EGEARN N#Cc1c2c(sc1NC(=S)NC(=O)c1cccnc1)CCCC2 ZINC000000229984 283083116 /nfs/dbraw/zinc/08/31/16/283083116.db2.gz MHECDMNNQXOYSU-UHFFFAOYSA-N 0 0 342.449 3.020 50 30 EGEARN CNc1nc2c(C)cccn2c(=O)c1/C=N/c1cccc(Cl)c1 ZINC000000494887 209635623 /nfs/dbraw/zinc/63/56/23/209635623.db2.gz RNUDKMAUHNTJRZ-KEBDBYFISA-N 0 0 326.787 3.449 50 30 EGEARN COc1cc(/C=C2/C(=O)ON=C2c2ccccc2)cc(OC)c1OC ZINC000000451610 209609258 /nfs/dbraw/zinc/60/92/58/209609258.db2.gz XDSDRHJVFJQAIG-NTEUORMPSA-N 0 0 339.347 3.057 50 30 EGEARN Cc1cc(C(=O)Nc2cc(Cl)ccc2C#N)c2cnn(C)c2n1 ZINC000036616314 213102493 /nfs/dbraw/zinc/10/24/93/213102493.db2.gz HBLWQEBHOPIDGF-UHFFFAOYSA-N 0 0 325.759 3.054 50 30 EGEARN NC1=C(c2nc3ccccc3s2)C(=O)CN1c1ccc(F)cc1 ZINC000000249440 209503534 /nfs/dbraw/zinc/50/35/34/209503534.db2.gz AOUAADFCYOJINU-UHFFFAOYSA-N 0 0 325.368 3.152 50 30 EGEARN N#Cc1c(NC(=O)COc2ccc(F)cc2F)sc2c1CCC2 ZINC000000139883 209445412 /nfs/dbraw/zinc/44/54/12/209445412.db2.gz ZSEOUPPCMPPBIS-UHFFFAOYSA-N 0 0 334.347 3.404 50 30 EGEARN COc1ccc2ccccc2c1/C=N/n1c(C)cc(C)c(C#N)c1=O ZINC000000116587 209431868 /nfs/dbraw/zinc/43/18/68/209431868.db2.gz GCWFVMBMXXWZJV-WSDLNYQXSA-N 0 0 331.375 3.381 50 30 EGEARN N#Cc1cccnc1N[C@H]1CCCN(c2ccc(C(F)(F)F)cn2)C1 ZINC000072436162 216231242 /nfs/dbraw/zinc/23/12/42/216231242.db2.gz BLGNZGRHSQRGNF-AWEZNQCLSA-N 0 0 347.344 3.448 50 30 EGEARN CCCN1c2ccccc2/C(=N\NC(=S)Nc2ccccc2)C1=O ZINC000026964123 212542843 /nfs/dbraw/zinc/54/28/43/212542843.db2.gz TUFWTKKLKKHOOV-CAPFRKAQSA-N 0 0 338.436 3.134 50 30 EGEARN C=C(C)C[NH+]1CCN([C@H](C(=O)[O-])c2c[nH]c3ccc(Cl)cc32)CC1 ZINC000020722703 212163760 /nfs/dbraw/zinc/16/37/60/212163760.db2.gz MQELSRLRYAERLT-KRWDZBQOSA-N 0 0 347.846 3.141 50 30 EGEARN CNc1ccccc(C(=O)/C=C/c2cc(OC)ccc2OC)c1=O ZINC000019909674 212082954 /nfs/dbraw/zinc/08/29/54/212082954.db2.gz PUPSJOCQOPIYFP-CSKARUKUSA-N 0 0 325.364 3.002 50 30 EGEARN CC[C@@H](CO)Nc1nc(SC)nc(-c2ccc(C)cc2)c1C#N ZINC000019820697 212072307 /nfs/dbraw/zinc/07/23/07/212072307.db2.gz OFNJJWGJBBSQGS-ZDUSSCGKSA-N 0 0 328.441 3.228 50 30 EGEARN Cc1c(-c2cnn(C)c2)nc(N)c(C#N)c1-c1ccc(F)c(F)c1 ZINC000071775511 291480012 /nfs/dbraw/zinc/48/00/12/291480012.db2.gz YKBPIIGUKXZZFX-UHFFFAOYSA-N 0 0 325.322 3.190 50 30 EGEARN CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1c1nc(C#N)c(N2CCOCC2)o1 ZINC000008915987 211018137 /nfs/dbraw/zinc/01/81/37/211018137.db2.gz LJMPDXBGTWWXJV-CABZTGNLSA-N 0 0 342.226 3.441 50 30 EGEARN N#Cc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)cc1Cl ZINC000008216434 210914385 /nfs/dbraw/zinc/91/43/85/210914385.db2.gz WQIOUJQYZIZPCN-CYBMUJFWSA-N 0 0 339.782 3.203 50 30 EGEARN O=C1CC(c2ccc(Cl)cc2)CC(=O)C1=C1N[C@@H]2CCCC[C@@H]2N1 ZINC000009287798 296314334 /nfs/dbraw/zinc/31/43/34/296314334.db2.gz IGNRUTCYCVQHFM-LQDVMPOASA-N 0 0 344.842 3.071 50 30 EGEARN C=CCSc1nc2c(c(=O)[nH]1)[C@H](c1ccc(Cl)cc1)CC(=O)N2 ZINC000004944245 210334771 /nfs/dbraw/zinc/33/47/71/210334771.db2.gz YWEHEKVQKTWPJS-NSHDSACASA-N 0 0 347.827 3.176 50 30 EGEARN CO/N=C/c1c(=O)n2ccccc2nc1Sc1ccc(Cl)cc1 ZINC000004892225 210314358 /nfs/dbraw/zinc/31/43/58/210314358.db2.gz MJHGLXPPWIIUNN-VCHYOVAHSA-N 0 0 345.811 3.479 50 30 EGEARN C=CC/N=C1/S/C(=C/c2ccc([N+](=O)[O-])cc2)C(=O)N1CC=C ZINC000004837340 210292883 /nfs/dbraw/zinc/29/28/83/210292883.db2.gz YCOOXYWBIZNFNN-YYFCYBIDSA-N 0 0 329.381 3.239 50 30 EGEARN COC(=O)c1c(C)[nH]c(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)c1C ZINC000004832176 210290291 /nfs/dbraw/zinc/29/02/91/210290291.db2.gz LVYZHGIFTRPMSO-BQYQJAHWSA-N 0 0 328.324 3.222 50 30 EGEARN CCOC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(C)o1)C2=O ZINC000005164717 258002845 /nfs/dbraw/zinc/00/28/45/258002845.db2.gz GCHKZVVCGZPLEO-SXGWCWSVSA-N 0 0 328.320 3.146 50 30 EGEARN O=C(COc1cccnc1)N(CC#Cc1ccccc1)C1CCCC1 ZINC000055054451 258014921 /nfs/dbraw/zinc/01/49/21/258014921.db2.gz VBDIOBCASBQEQQ-UHFFFAOYSA-N 0 0 334.419 3.283 50 30 EGEARN CCCNC(=O)c1c(/N=C/c2cccc(OCC(C)C)c2)cnn1C ZINC000002797754 258050210 /nfs/dbraw/zinc/05/02/10/258050210.db2.gz MGEIYQNIJKYPNY-SRZZPIQSSA-N 0 0 342.443 3.345 50 30 EGEARN COc1ccc(-c2csc(N=NCc3ccc(O)cc3)n2)cc1 ZINC000006646861 258052190 /nfs/dbraw/zinc/05/21/90/258052190.db2.gz TWUOEBNIQNIVFW-VCHYOVAHSA-N 0 0 325.393 3.392 50 30 EGEARN COc1ccccc1Oc1cc(C#N)c(C#N)cc1N1CCOCC1 ZINC000000556262 135652459 /nfs/dbraw/zinc/65/24/59/135652459.db2.gz DPGDDKXSPJXERE-UHFFFAOYSA-N 0 0 335.363 3.067 50 30 EGEARN COc1cc(O)ccc1-c1c2c(nc(N)c1C#N)-c1cccc(O)c1C2 ZINC000071749052 286239191 /nfs/dbraw/zinc/23/91/91/286239191.db2.gz KKHSWJWTPJXTQH-UHFFFAOYSA-N 0 0 345.358 3.193 50 30 EGEARN C=CCN1C(=O)/C(=C/c2cc3c(cc2Cl)OCO3)SC1=S ZINC000001215374 452648432 /nfs/dbraw/zinc/64/84/32/452648432.db2.gz LFBGWFPHZLXAQO-XGICHPGQSA-N 0 0 339.825 3.456 50 30 EGEARN C(=NN=c1cc(N2CCCC2)[nH]c(N2CCCC2)n1)c1ccccc1 ZINC000004591484 275389331 /nfs/dbraw/zinc/38/93/31/275389331.db2.gz WKUCAPVZVIGYRU-HMMYKYKNSA-N 0 0 336.443 3.123 50 30 EGEARN CC(C)c1ccc(N2CC(=O)C(c3nc4ccccc4n3C)=C2N)cc1 ZINC000005182957 275741946 /nfs/dbraw/zinc/74/19/46/275741946.db2.gz VWFWFKXUJWKQMU-UHFFFAOYSA-N 0 0 346.434 3.413 50 30 EGEARN C=CCn1cnc2c3cc4c(nc3sc2c1=O)C[C@@](C)(CC)OC4 ZINC000032104306 275750055 /nfs/dbraw/zinc/75/00/55/275750055.db2.gz JOUYXZUCHRIJQV-GOSISDBHSA-N 0 0 341.436 3.434 50 30 EGEARN C=CCN1c2ccccc2[C@@]2(NCCc3c4ccccc4[nH]c32)C1=O ZINC000020064198 277861914 /nfs/dbraw/zinc/86/19/14/277861914.db2.gz RWYJOGFEAKHHNP-NRFANRHFSA-N 0 0 329.403 3.090 50 30 biogenic EGEARN COc1ccc2c(c1)/C(=N/N=C1\C[C@H](c3ccccc3)N=N1)C(=O)N2C ZINC000006169449 277942257 /nfs/dbraw/zinc/94/22/57/277942257.db2.gz VFGSCKHICGHOHU-UYPGUFPWSA-N 0 0 347.378 3.371 50 30 EGEARN Cc1ccc(S(=O)(=O)/N=C2\C=CC(=O)c3ccccc32)c(C)c1 ZINC000013485252 280925294 /nfs/dbraw/zinc/92/52/94/280925294.db2.gz AWAQREHBGQRFII-KNTRCKAVSA-N 0 0 325.389 3.234 50 30 EGEARN Cc1cccc(C)c1NC1=CSc2nnc(C(F)(F)F)n2N1 ZINC000027299167 281202200 /nfs/dbraw/zinc/20/22/00/281202200.db2.gz ARBMNBOSMRBIKI-UHFFFAOYSA-N 0 0 327.335 3.293 50 30 EGEARN O=C1C[C@H](c2ccccc2)CC2=Nc3nnnn3[C@H](c3ccccc3)C12 ZINC000018200745 304650071 /nfs/dbraw/zinc/65/00/71/304650071.db2.gz VZSJHKCKKLCYOC-DNVCBOLYSA-N 0 0 343.390 3.089 50 30 EGEARN FC(F)(F)c1ccccc1C=NN1CCN(c2ccccn2)CC1 ZINC000238901308 455260277 /nfs/dbraw/zinc/26/02/77/455260277.db2.gz LHCBEAIBSLDLTG-UHFFFAOYSA-N 0 0 334.345 3.257 50 30 EGEARN CC(=O)C1=C(O)C(=O)N(CCc2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000000076897 452500792 /nfs/dbraw/zinc/50/07/92/452500792.db2.gz QOENJAPDMFUHOJ-SFHVURJKSA-N 0 0 339.366 3.353 50 30 EGEARN COc1ccc([C@@H]2C(=C(C)O)C(=O)C(=O)N2c2ccc(F)cc2)cc1 ZINC000000273549 452553165 /nfs/dbraw/zinc/55/31/65/452553165.db2.gz KAHAVDPIYHSQCH-QGZVFWFLSA-N 0 0 341.338 3.323 50 30 EGEARN O=C1c2ccccc2C(=O)N1/N=C/c1ccc(Br)s1 ZINC000000286675 452553980 /nfs/dbraw/zinc/55/39/80/452553980.db2.gz MWNBSLIOHROTJF-VIZOYTHASA-N 0 0 335.182 3.141 50 30 EGEARN CCOc1cc(/C=C2\Oc3ccc(C(=O)OC)cc3C2=O)ccc1O ZINC000000429877 452591093 /nfs/dbraw/zinc/59/10/93/452591093.db2.gz SFHGIKBNUCLDBR-MFOYZWKCSA-N 0 0 340.331 3.194 50 30 biogenic,in-vitro EGEARN N#C[C@]1(Nc2ccccc2Br)C(=O)Nc2ccccc21 ZINC000000501870 452608466 /nfs/dbraw/zinc/60/84/66/452608466.db2.gz BSRATJSHJLPUQO-OAHLLOKOSA-N 0 0 328.169 3.232 50 30 EGEARN COc1cccc(N2C(=O)C(=O)C(=C(C)O)[C@@H]2c2ccc(F)cc2)c1 ZINC000000536451 452618256 /nfs/dbraw/zinc/61/82/56/452618256.db2.gz ZRTXXARWKAJJSZ-KRWDZBQOSA-N 0 0 341.338 3.323 50 30 EGEARN C=C(C)COc1c(I)cc(C=O)cc1OC ZINC000001056913 452643052 /nfs/dbraw/zinc/64/30/52/452643052.db2.gz FEJBDZLBARSQON-UHFFFAOYSA-N 0 0 332.137 3.067 50 30 EGEARN CO/N=C(\Cn1ncc(Cl)c(Cl)c1=O)c1ccc(Cl)cc1 ZINC000001386885 452658779 /nfs/dbraw/zinc/65/87/79/452658779.db2.gz KTWJUKOGWPAVGH-WOJGMQOQSA-N 0 0 346.601 3.254 50 30 EGEARN CCOC(=O)C1=C(C)N(CC#N)C(=O)C[C@H]1c1ccc(Cl)cc1 ZINC000001397990 452660683 /nfs/dbraw/zinc/66/06/83/452660683.db2.gz AKNGXSQGXQAXKN-AWEZNQCLSA-N 0 0 332.787 3.017 50 30 EGEARN CCC(=O)C1=C(NCCc2nc3ccccc3[nH]2)CC(C)(C)CC1=O ZINC000001425779 452663249 /nfs/dbraw/zinc/66/32/49/452663249.db2.gz XMRGACFURZVPAD-UHFFFAOYSA-N 0 0 339.439 3.317 50 30 EGEARN COCCNc1oc(COc2ccc(Cl)cc2Cl)nc1C#N ZINC000002421831 452697594 /nfs/dbraw/zinc/69/75/94/452697594.db2.gz JFHRGLAFTVPERV-UHFFFAOYSA-N 0 0 342.182 3.490 50 30 EGEARN Cc1cc(Cl)nc(N=CC2C(=O)CC(c3ccccc3)CC2=O)n1 ZINC000002543444 452704677 /nfs/dbraw/zinc/70/46/77/452704677.db2.gz MKQOHNFODQPXIV-UHFFFAOYSA-N 0 0 341.798 3.450 50 30 EGEARN COc1ccc(CC(=O)Nc2sc3c(c2C#N)CCC3)cc1OC ZINC000002750560 452718237 /nfs/dbraw/zinc/71/82/37/452718237.db2.gz WLKXRMZMGDZERT-UHFFFAOYSA-N 0 0 342.420 3.307 50 30 EGEARN N=C(NOC(=O)CC(c1ccccc1)c1ccccc1)c1ccccn1 ZINC000004570769 452809095 /nfs/dbraw/zinc/80/90/95/452809095.db2.gz NIZYYNJKBAVNEG-UHFFFAOYSA-N 0 0 345.402 3.467 50 30 EGEARN COC(=O)c1ccc(/C=C/C(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000005104402 452837470 /nfs/dbraw/zinc/83/74/70/452837470.db2.gz OVOOJFQCIIFFKB-UXBLZVDNSA-N 0 0 326.348 3.387 50 30 EGEARN CC(=O)Nc1n[nH]c(SCc2ccc(Br)cc2)n1 ZINC000005444066 452872658 /nfs/dbraw/zinc/87/26/58/452872658.db2.gz LJVBRFXPICFQBR-UHFFFAOYSA-N 0 0 327.207 3.467 50 30 EGEARN CCOc1nc2ccccc2nc1[C@@H](C#N)C(=O)NC1CCCCC1 ZINC000005451406 452875605 /nfs/dbraw/zinc/87/56/05/452875605.db2.gz AECHQNPMIBMUCP-CQSZACIVSA-N 0 0 338.411 3.085 50 30 EGEARN CCOC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)C(=O)c1ccccc1 ZINC000005598074 452885961 /nfs/dbraw/zinc/88/59/61/452885961.db2.gz HNGLUPZNKWOGNW-FOWTUZBSSA-N 0 0 325.320 3.424 50 30 EGEARN Fc1cccc(C=NN2C(=S)N=NC2COc2ccccc2)c1 ZINC000005999437 452914945 /nfs/dbraw/zinc/91/49/45/452914945.db2.gz BYIDYZHIPCFBJV-VCHYOVAHSA-N 0 0 328.372 3.167 50 30 EGEARN C/C(=N\NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(C)s1 ZINC000006279083 452931561 /nfs/dbraw/zinc/93/15/61/452931561.db2.gz LZINRDADLJXPLU-XNTDXEJSSA-N 0 0 328.846 3.412 50 30 EGEARN C=C(C)CN1c2ccccc2[C@@](O)(CC(=O)c2cccs2)C1=O ZINC000006729240 452977669 /nfs/dbraw/zinc/97/76/69/452977669.db2.gz MRZWGXPWFDDXHM-SFHVURJKSA-N 0 0 327.405 3.131 50 30 EGEARN Cc1cc(C)c(C#N)c(SCC(=O)c2ccc3c(c2)OCCO3)n1 ZINC000006897559 453005967 /nfs/dbraw/zinc/00/59/67/453005967.db2.gz GNSNRIYPYJLFPJ-UHFFFAOYSA-N 0 0 340.404 3.316 50 30 EGEARN COc1cc(Nc2ccc([N+](=O)[O-])cc2C#N)cc(OC)c1OC ZINC000008146874 453169555 /nfs/dbraw/zinc/16/95/55/453169555.db2.gz WDHVNWAIOIMCLU-UHFFFAOYSA-N 0 0 329.312 3.236 50 30 EGEARN CC(=[NH+][N-]c1ccccc1)c1ccc(N2CCN(C)CC2)c(F)c1 ZINC000012362626 453356997 /nfs/dbraw/zinc/35/69/97/453356997.db2.gz FVYCTAFDDSVLQL-RCCKNPSSSA-N 0 0 326.419 3.414 50 30 EGEARN C#CCn1c2ccccc2nc1[C@H]1CC(=O)N(c2cccc(OC)c2)C1 ZINC000014095662 453505362 /nfs/dbraw/zinc/50/53/62/453505362.db2.gz VFMPUMBEFOXWRG-HNNXBMFYSA-N 0 0 345.402 3.199 50 30 EGEARN C=CC/N=C1\S/C(=C\c2ccc([N+](=O)[O-])cc2)C(=O)N1CC=C ZINC000017028218 453626689 /nfs/dbraw/zinc/62/66/89/453626689.db2.gz YCOOXYWBIZNFNN-SJKKTQPASA-N 0 0 329.381 3.239 50 30 EGEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1 ZINC000019300853 453655455 /nfs/dbraw/zinc/65/54/55/453655455.db2.gz QVQKQVCVNNTYJF-QGZVFWFLSA-N 0 0 325.408 3.464 50 30 EGEARN CCc1ccc(S(=O)(=O)N/N=C\c2c[nH]c3ccccc23)cc1 ZINC000032568398 453878456 /nfs/dbraw/zinc/87/84/56/453878456.db2.gz CCXRIKCVLRBUND-UNOMPAQXSA-N 0 0 327.409 3.043 50 30 EGEARN COc1ccc(OC)c(-c2nc(CN3CCC(C#N)CC3)c(C)o2)c1 ZINC000071639266 454210049 /nfs/dbraw/zinc/21/00/49/454210049.db2.gz OGVJZUQWCNFYTO-UHFFFAOYSA-N 0 0 341.411 3.403 50 30 EGEARN Cc1c(-c2cc(-c3cnn(C)c3)c(C#N)c(N)n2)c2ccccc2n1C ZINC000071767967 454217259 /nfs/dbraw/zinc/21/72/59/454217259.db2.gz ZHRDZNOPWSRDCM-UHFFFAOYSA-N 0 0 342.406 3.403 50 30 EGEARN COc1ccc(CCNC(C)=C2C(=O)C[C@@H]3[C@H]2C3(C)C)cc1OC ZINC000100750846 454467390 /nfs/dbraw/zinc/46/73/90/454467390.db2.gz XIURQJMAEMJWEL-YUIXEQDVSA-N 0 0 329.440 3.355 50 30 biogenic EGEARN C#CCn1c2ccc(OC)cc2s/c1=N\C(=O)c1cccs1 ZINC000100875891 454468014 /nfs/dbraw/zinc/46/80/14/454468014.db2.gz WZBFBJMMDAERQS-MSUUIHNZSA-N 0 0 328.418 3.147 50 30 EGEARN C#CCn1c2c(cccc2C)s/c1=N\C(=O)c1ccc(N(C)C)cc1 ZINC000100910390 454468587 /nfs/dbraw/zinc/46/85/87/454468587.db2.gz DFERLTYJKUYJGN-MRCUWXFGSA-N 0 0 349.459 3.452 50 30 EGEARN CCC(=O)Nc1ccccc1C(=O)OC/C(=N/O)c1ccccc1 ZINC000102519834 454507998 /nfs/dbraw/zinc/50/79/98/454507998.db2.gz SZVOKNALKZMGME-SILNSSARSA-N 0 0 326.352 3.070 50 30 EGEARN CCc1nc(C)sc1CNC(=O)c1ccc(C#CC(C)(C)O)cc1 ZINC000065371083 454554876 /nfs/dbraw/zinc/55/48/76/454554876.db2.gz GBVSAVOYKJNDRP-UHFFFAOYSA-N 0 0 342.464 3.066 50 30 EGEARN Cc1cccnc1[C@@H](NC(=O)c1cccc(C#CC(C)(C)O)c1)C1CC1 ZINC000065533391 454586327 /nfs/dbraw/zinc/58/63/27/454586327.db2.gz AWPHNBOIHYPXRZ-FQEVSTJZSA-N 0 0 348.446 3.394 50 30 EGEARN Cc1ccccc1CS(=O)(=O)c1oc(-c2ccccc2)nc1C#N ZINC000170623824 454944255 /nfs/dbraw/zinc/94/42/55/454944255.db2.gz XNFONLGAQYOECC-UHFFFAOYSA-N 0 0 338.388 3.496 50 30 EGEARN Cc1ccc(S(=O)(=O)NN=Cc2c(O)ccc3ccccc32)cc1 ZINC000254834036 455856322 /nfs/dbraw/zinc/85/63/22/455856322.db2.gz RGNFUPWYQNYCNG-UHFFFAOYSA-N 0 0 340.404 3.166 50 30 EGEARN CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@H]3[C@H](O)C[C@]12C ZINC000257359029 455897688 /nfs/dbraw/zinc/89/76/88/455897688.db2.gz XYVVSFGOAQGVRE-WMKCGOMXSA-N 0 0 328.452 3.470 50 30 EGEARN C[C@@H](NC(=O)N1CCC(C#N)CC1)c1cnn(-c2ccc(F)cc2)c1 ZINC000534649373 459341779 /nfs/dbraw/zinc/34/17/79/459341779.db2.gz VQRCATYJABUOCA-CYBMUJFWSA-N 0 0 341.390 3.018 50 30 EGEARN N#Cc1cccc(C(=O)NC[C@H](O)c2ccc(-c3ccco3)cc2)c1 ZINC000585148162 459830976 /nfs/dbraw/zinc/83/09/76/459830976.db2.gz QGRDPMVSHORGFJ-SFHVURJKSA-N 0 0 332.359 3.282 50 30 EGEARN N#Cc1ccnc(O[C@H]2CCCN(C(=O)CCCc3ccccc3)C2)c1 ZINC000575612767 459982981 /nfs/dbraw/zinc/98/29/81/459982981.db2.gz MSORDIZTSZHFKV-IBGZPJMESA-N 0 0 349.434 3.346 50 30 EGEARN C=CCN1CCN(C(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)CC1 ZINC000020311750 518862029 /nfs/dbraw/zinc/86/20/29/518862029.db2.gz WSLNMVTVDIPPNG-GFCCVEGCSA-N 0 0 343.254 3.091 50 30 EGEARN C[NH+](C)[C@@H](C/N=C(\[O-])c1cc2ccccc2oc1=O)c1cccs1 ZINC000028291405 522008993 /nfs/dbraw/zinc/00/89/93/522008993.db2.gz OBXVKCVZDTWGHN-AWEZNQCLSA-N 0 0 342.420 3.462 50 30 EGEARN Cc1c(/C=N/c2sccc2C(=O)NCc2ccco2)cnn1C ZINC000006527517 525521112 /nfs/dbraw/zinc/52/11/12/525521112.db2.gz AUFBYGQEHVHYII-QGMBQPNBSA-N 0 0 328.397 3.064 50 30 EGEARN N#Cc1cccc(C(=O)N2CC[C@@H](Oc3cccc4cccnc43)C2)c1 ZINC000245026705 526697393 /nfs/dbraw/zinc/69/73/93/526697393.db2.gz NHSMQVSSKCIYHA-GOSISDBHSA-N 0 0 343.386 3.400 50 30 EGEARN COc1ccc(C(=O)N2CCCC[C@H]2[C@H](C#N)c2ccccc2)cn1 ZINC000072297931 546569854 /nfs/dbraw/zinc/56/98/54/546569854.db2.gz XWRZJENCIOTAHZ-MSOLQXFVSA-N 0 0 335.407 3.392 50 30 EGEARN CCC/C(=N\OCC)[C@@H]1C(=O)CC(C)(C)[C@@H](c2cc(C)no2)C1=O ZINC000102909764 1292985844 /nfs/dbraw/zinc/98/58/44/1292985844.db2.gz PRMMBWKGPFIKKP-QZZQKYANSA-N 0 0 334.416 3.444 50 30 EGEARN C=CCOc1ccc(C[N@H+]2CCC[C@@H](NC(C)=O)C2)cc1CC=C ZINC000820505665 1319900115 /nfs/dbraw/zinc/90/01/15/1319900115.db2.gz QFLRUWQKIIZXGF-LJQANCHMSA-N 0 0 328.456 3.080 50 30 EGEARN COc1ccc(NC(=O)Cn2cc(C#N)c3ccccc32)cc1OC ZINC000051319085 214089201 /nfs/dbraw/zinc/08/92/01/214089201.db2.gz MTIBJHIAJFSEKH-UHFFFAOYSA-N 0 0 335.363 3.169 50 30 EGEARN COc1cc(NN=Cc2ccc([N+](=O)[O-])cc2)cc(OC)c1OC ZINC000004705040 210254862 /nfs/dbraw/zinc/25/48/62/210254862.db2.gz BTHVAOMQGOMXNU-LICLKQGHSA-N 0 0 331.328 3.067 50 30 EGEARN C=CCOc1ccc(C(=O)N2CCC[C@@](CC)(CO)C2)cc1OCC ZINC000055154828 214280764 /nfs/dbraw/zinc/28/07/64/214280764.db2.gz NNCMXADQJGEAJB-HXUWFJFHSA-N 0 0 347.455 3.275 50 30 EGEARN C=C(C)COc1ccccc1C(=O)NC[C@H](C)Oc1cccnc1 ZINC000055358779 214311405 /nfs/dbraw/zinc/31/14/05/214311405.db2.gz QRYBGOAQIMOMQY-HNNXBMFYSA-N 0 0 326.396 3.234 50 30 EGEARN CSc1ccc([C@H]2C3C(=O)CCCC3=Nc3c(C#N)cnn32)cc1 ZINC000044918473 295679316 /nfs/dbraw/zinc/67/93/16/295679316.db2.gz BUFGNJUJIAUHRX-KRWDZBQOSA-N 0 0 336.420 3.499 50 30 EGEARN Cc1cc(NC(=O)c2sc(Nc3ccccc3)c(C#N)c2N)no1 ZINC000004574977 210224313 /nfs/dbraw/zinc/22/43/13/210224313.db2.gz NSFKFMWLEJZXFU-UHFFFAOYSA-N 0 0 339.380 3.494 50 30 EGEARN CN(C)c1ccc(/C=C2\S/C(=N\c3cccc(O)c3)NC2=O)cc1 ZINC000016904689 282280778 /nfs/dbraw/zinc/28/07/78/282280778.db2.gz JMKBOWRPYICIKS-YBEGLDIGSA-N 0 0 339.420 3.350 50 30 EGEARN C=CCNC(=S)N/N=C/c1cccc(OCc2ccccc2)c1 ZINC000004510727 210208422 /nfs/dbraw/zinc/20/84/22/210208422.db2.gz CLIZWXRTCNAQMR-DEDYPNTBSA-N 0 0 325.437 3.250 50 30 EGEARN O=C(/C=C/N1CCC[C@H]1C(=O)Nc1ccc(Cl)cc1)C(F)(F)F ZINC000004175675 210139689 /nfs/dbraw/zinc/13/96/89/210139689.db2.gz UTWCDHZBSFSAKW-CRALRDPISA-N 0 0 346.736 3.388 50 30 EGEARN C=CCSc1nnc2nc3c(nn21)c1cc(C)ccc1n3CC=C ZINC000004123919 210125950 /nfs/dbraw/zinc/12/59/50/210125950.db2.gz RKCRDSSCYRAMCG-UHFFFAOYSA-N 0 0 336.424 3.400 50 30 EGEARN O=C(C1=C(O)C(=O)N[C@H]1c1ccccc1F)c1ccc(Cl)cc1 ZINC000102892614 219238726 /nfs/dbraw/zinc/23/87/26/219238726.db2.gz UWAKJUGIMPJUSW-MRPLLJTBSA-N 0 0 331.730 3.188 50 30 EGEARN C=C(C)COc1c(OC)cccc1[C@@H]1CC(=O)Nc2n[nH]c(CC)c21 ZINC000067676204 215183195 /nfs/dbraw/zinc/18/31/95/215183195.db2.gz PBIFTMWKMXJKDR-ZDUSSCGKSA-N 0 0 341.411 3.410 50 30 EGEARN N#Cc1c(N)nc(-c2cccs2)cc1-c1ccccc1OCCO ZINC000067879315 215239144 /nfs/dbraw/zinc/23/91/44/215239144.db2.gz PBTZPODDYZZELI-UHFFFAOYSA-N 0 0 337.404 3.302 50 30 EGEARN COC(=O)[C@H]1C(=O)C(=C(C)Nc2ccccc2O)C(=O)CC1(C)C ZINC000103915583 219329315 /nfs/dbraw/zinc/32/93/15/219329315.db2.gz QXJHHIUAUNEMIL-GDXCHIGESA-N 0 0 331.368 3.085 50 30 EGEARN O=C1/C(=N\[O-])c2ccccc2N1CCCOc1ccccc1Cl ZINC000039853898 213241909 /nfs/dbraw/zinc/24/19/09/213241909.db2.gz IGTUTNOTXOYNNK-MNDPQUGUSA-N 0 0 330.771 3.334 50 30 EGEARN CC1=C(C(=O)c2ccccc2)[C@@H](c2cccc([N+](=O)[O-])c2)NC(=O)N1 ZINC000000447892 209606741 /nfs/dbraw/zinc/60/67/41/209606741.db2.gz JDVZEATUSCXVGE-MRXNPFEDSA-N 0 0 337.335 3.106 50 30 EGEARN O=c1c2ccccc2nc(NN=Cc2ccccn2)n1-c1ccccc1 ZINC000035167549 213011903 /nfs/dbraw/zinc/01/19/03/213011903.db2.gz WBCGTEFVUJBIGE-HYARGMPZSA-N 0 0 341.374 3.227 50 30 EGEARN Cc1c(/N=C/c2ccc([N+](=O)[O-])cc2)c(=O)n(-c2ccccc2)n1C ZINC000000061127 209394862 /nfs/dbraw/zinc/39/48/62/209394862.db2.gz WYNUPJAWGKEHGJ-XDHOZWIPSA-N 0 0 336.351 3.143 50 30 EGEARN Cc1c(/N=C/c2ccc(N(C)C)cc2)c(=O)n(-c2ccccc2)n1C ZINC000000061141 209394563 /nfs/dbraw/zinc/39/45/63/209394563.db2.gz MIOPZSFSXPQPAW-KGENOOAVSA-N 0 0 334.423 3.301 50 30 EGEARN N#Cc1ccc(CCC(=O)NC[C@@H]2CCCN2c2ccccc2)cc1 ZINC000207989952 241064654 /nfs/dbraw/zinc/06/46/54/241064654.db2.gz YXSMKUPIQHCWCS-FQEVSTJZSA-N 0 0 333.435 3.276 50 30 EGEARN CC(C)c1nc(NCCCN2CCOCC2)c(C#N)c2c1CCCC2 ZINC000020573618 212149304 /nfs/dbraw/zinc/14/93/04/212149304.db2.gz OIWGLLWMVOZPLJ-UHFFFAOYSA-N 0 0 342.487 3.090 50 30 EGEARN CCc1ccccc1N1C[C@@H](C(=O)Nc2ccccc2C#N)CC1=O ZINC000020371815 212123330 /nfs/dbraw/zinc/12/33/30/212123330.db2.gz JTTDQZDOLCAONY-INIZCTEOSA-N 0 0 333.391 3.112 50 30 EGEARN N#Cc1nc(-c2ccc(Cl)cc2)oc1NCCCN1CCOCC1 ZINC000019862943 212076997 /nfs/dbraw/zinc/07/69/97/212076997.db2.gz KLIKBWIWGMCSBL-UHFFFAOYSA-N 0 0 346.818 3.001 50 30 EGEARN C=CCNC(=O)c1nnn(-c2ccc(Cl)cc2)c1-c1ccco1 ZINC000012274048 211331331 /nfs/dbraw/zinc/33/13/31/211331331.db2.gz PEDHDZDHBXZOGJ-UHFFFAOYSA-N 0 0 328.759 3.097 50 30 EGEARN Cc1c(C)n(-c2ccccn2)c(NC(=O)COc2ccccc2)c1C#N ZINC000009060818 211035849 /nfs/dbraw/zinc/03/58/49/211035849.db2.gz MPYSTZREIUJPAJ-UHFFFAOYSA-N 0 0 346.390 3.378 50 30 EGEARN O=C1c2ccccc2C2=NC(=S)N[C@H](c3ccc(Cl)cc3)C12 ZINC000001390283 285023639 /nfs/dbraw/zinc/02/36/39/285023639.db2.gz QKYPDVVVCBSKTA-CQSZACIVSA-N 0 0 326.808 3.466 50 30 EGEARN Cc1ccc(Cn2cccc(C(=O)Nc3ccccc3C#N)c2=O)cc1 ZINC000004940383 210330678 /nfs/dbraw/zinc/33/06/78/210330678.db2.gz ZUADQJPYBQAZPE-UHFFFAOYSA-N 0 0 343.386 3.329 50 30 EGEARN N#Cc1ccccc1NC(=O)c1cccn(Cc2ccccc2)c1=O ZINC000004940241 210331858 /nfs/dbraw/zinc/33/18/58/210331858.db2.gz PZQWYPLPIFTYOW-UHFFFAOYSA-N 0 0 329.359 3.021 50 30 EGEARN C=CCc1cccc(/C=N/n2cnc3c4ccccc4[nH]c3c2=O)c1O ZINC000004828206 210290105 /nfs/dbraw/zinc/29/01/05/210290105.db2.gz DMZCTXPOJFFNDW-SSDVNMTOSA-N 0 0 344.374 3.194 50 30 EGEARN N#CCCn1c(CC(=O)Nc2ccccc2[N+](=O)[O-])nc2ccccc21 ZINC000004785971 210279054 /nfs/dbraw/zinc/27/90/54/210279054.db2.gz ODHVLMTZNPXWNL-UHFFFAOYSA-N 0 0 349.350 3.039 50 30 EGEARN Cc1csc(=NC2CCCCC2)n1N=Cc1ccc(O)c(O)c1O ZINC000242648757 258000599 /nfs/dbraw/zinc/00/05/99/258000599.db2.gz RGGFUBMUOVFZEF-UHFFFAOYSA-N 0 0 347.440 3.090 50 30 EGEARN C=CCN(Cc1ccco1)C(=O)[C@@H]1COc2c(cccc2OC)C1 ZINC000065420772 258011688 /nfs/dbraw/zinc/01/16/88/258011688.db2.gz MJPQMORKPPFRTP-HNNXBMFYSA-N 0 0 327.380 3.054 50 30 EGEARN N#Cc1ccccc1NC(=O)c1cccc(I)c1 ZINC000000569263 258048712 /nfs/dbraw/zinc/04/87/12/258048712.db2.gz PNCFYVUVSOKAGE-UHFFFAOYSA-N 0 0 348.143 3.415 50 30 EGEARN CN(C)c1ccc([C@@H]2CC(=O)C=C(NCCc3ccccn3)C2)cc1 ZINC000019924688 258057159 /nfs/dbraw/zinc/05/71/59/258057159.db2.gz ZHGDJOJHOFTWSZ-KRWDZBQOSA-N 0 0 335.451 3.310 50 30 EGEARN CCCCCCCCCCCCOCCOCCOCC(N)=O ZINC000100970335 258069064 /nfs/dbraw/zinc/06/90/64/258069064.db2.gz PINZOVIXGXHZIW-UHFFFAOYSA-N 0 0 331.497 3.442 50 30 EGEARN CCOC(=O)C1=C(C)N(CC#N)C(=O)C[C@@H]1c1ccc(Cl)cc1 ZINC000001397991 285668346 /nfs/dbraw/zinc/66/83/46/285668346.db2.gz AKNGXSQGXQAXKN-CQSZACIVSA-N 0 0 332.787 3.017 50 30 EGEARN CCOC(=O)C1=C(CC)NC2=C(C(=O)CCC2)[C@@H]1c1cccnc1 ZINC000004126615 285671209 /nfs/dbraw/zinc/67/12/09/285671209.db2.gz BNHNJHJFNZBBMZ-INIZCTEOSA-N 0 0 326.396 3.003 50 30 EGEARN CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccs1 ZINC000000332971 285671955 /nfs/dbraw/zinc/67/19/55/285671955.db2.gz XTDLKZYNBFTMOO-AWEZNQCLSA-N 0 0 347.436 3.239 50 30 EGEARN Oc1ccc(Cl)cc1[C@@H](C#Cc1ccccc1)N1CCOCC1 ZINC000019770599 296591213 /nfs/dbraw/zinc/59/12/13/296591213.db2.gz AEMGXLDTHKNMOY-GOSISDBHSA-N 0 0 327.811 3.471 50 30 EGEARN O=C(COCC(F)(F)F)NCc1ccc(F)cc1C(F)(F)F ZINC000122811092 222163645 /nfs/dbraw/zinc/16/36/45/222163645.db2.gz UAKOSEIRJNRJOC-UHFFFAOYSA-N 0 0 333.203 3.040 50 30 EGEARN COc1ccc(/C=N/n2c(C)cc(C)c(C#N)c2=O)c2ccccc12 ZINC000000116552 274105394 /nfs/dbraw/zinc/10/53/94/274105394.db2.gz OOCIYAGKGITJAH-WSDLNYQXSA-N 0 0 331.375 3.381 50 30 EGEARN CC1=C[C@@H](c2ccccc2)N2N=C(NC(=O)c3ccccc3)NC2=N1 ZINC000004844703 276184287 /nfs/dbraw/zinc/18/42/87/276184287.db2.gz KFEBYWRIZAWKMJ-INIZCTEOSA-N 0 0 331.379 3.182 50 30 EGEARN CCOc1cc([C@H](C#N)N2CCO[C@H](c3ccccc3)C2)ccc1O ZINC000041194267 276493635 /nfs/dbraw/zinc/49/36/35/276493635.db2.gz HCLZRSWNXNLSIT-PXNSSMCTSA-N 0 0 338.407 3.429 50 30 EGEARN COc1ccc([C@H]2c3c(=O)[nH][nH]c3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000012347458 295252968 /nfs/dbraw/zinc/25/29/68/295252968.db2.gz BBBBQAZJXCCLDV-CQSZACIVSA-N 0 0 339.395 3.325 50 30 EGEARN Cc1ccc(S(=O)(=O)OC2CC(C)(C)N(O)C(C)(C)C2)cc1 ZINC000004577635 301697891 /nfs/dbraw/zinc/69/78/91/301697891.db2.gz SRNPCPMNECAZKZ-UHFFFAOYSA-N 0 0 327.446 3.111 50 30 in-vitro EGEARN N#CC1(C#N)[C@H]2CCCC[C@]23OC(=N)[C@@]1(C#N)[C@H](c1ccccc1)O3 ZINC000004572928 303138929 /nfs/dbraw/zinc/13/89/29/303138929.db2.gz YDHPTFXGAJFNQY-OHQAAIJDSA-N 0 0 332.363 3.195 50 30 EGEARN N#Cc1cccc(N2CCC[C@@]3(CCC(=O)N(C4CCCC4)C3)C2)n1 ZINC000077488765 303204296 /nfs/dbraw/zinc/20/42/96/303204296.db2.gz HSWMTBCUVHJQMY-HXUWFJFHSA-N 0 0 338.455 3.105 50 30 EGEARN CCOC(=O)c1cc(-c2ccc(/C=N\n3cnnc3)o2)ccc1Cl ZINC000000293611 452554644 /nfs/dbraw/zinc/55/46/44/452554644.db2.gz CKULKCOMIUQYDK-ZBKNUEDVSA-N 0 0 344.758 3.250 50 30 EGEARN C=CCn1c(N)c(C(=O)NCCC(C)C)c2nc3ccccc3nc21 ZINC000000532067 452616635 /nfs/dbraw/zinc/61/66/35/452616635.db2.gz PBYVNARYERTDHB-UHFFFAOYSA-N 0 0 337.427 3.129 50 30 EGEARN CCOC(=O)[C@@H](OS(=O)(=O)c1ccc(C)cc1)c1ccccc1 ZINC000002172783 452687892 /nfs/dbraw/zinc/68/78/92/452687892.db2.gz PULJAZHCGDDGFR-INIZCTEOSA-N 0 0 334.393 3.005 50 30 EGEARN O=C1CS/C(=N\N=C\c2cccs2)N1Cc1ccc(F)cc1 ZINC000002194270 452688693 /nfs/dbraw/zinc/68/86/93/452688693.db2.gz BPDBWAAXXDZYBR-FINFXUDSSA-N 0 0 333.413 3.353 50 30 EGEARN N#Cc1cccc(C(=O)c2ccccc2I)c1 ZINC000002392632 452694968 /nfs/dbraw/zinc/69/49/68/452694968.db2.gz GKGKJRXNVLJUFP-UHFFFAOYSA-N 0 0 333.128 3.394 50 30 EGEARN CC1(C)Cc2ccccc2C2=C(C(=O)c3ccccc3)C(=O)C(=O)N21 ZINC000002422493 452697733 /nfs/dbraw/zinc/69/77/33/452697733.db2.gz XZJRGNYNZRQETM-UHFFFAOYSA-N 0 0 331.371 3.027 50 30 EGEARN N#CCCN(CCC#N)C(=O)c1cccc(NC(=O)c2ccccc2)c1 ZINC000002855007 452730037 /nfs/dbraw/zinc/73/00/37/452730037.db2.gz XACOMXOOWYYMTD-UHFFFAOYSA-N 0 0 346.390 3.208 50 30 EGEARN C=CCc1cc(C)ccc1OCCC(C(=O)OCC)C(=O)OCC ZINC000003003804 452739750 /nfs/dbraw/zinc/73/97/50/452739750.db2.gz GUXOIFJVMZMOPP-UHFFFAOYSA-N 0 0 334.412 3.235 50 30 EGEARN CON=CNc1ncc(-c2ncc(C(F)(F)F)cc2Cl)cn1 ZINC000005320058 452858881 /nfs/dbraw/zinc/85/88/81/452858881.db2.gz ZVONNMQCESZMEN-UHFFFAOYSA-N 0 0 331.685 3.212 50 30 EGEARN COc1ccc(/C(C)=N/N2CCN(c3ccccc3OC)CC2)cc1 ZINC000005605553 452888044 /nfs/dbraw/zinc/88/80/44/452888044.db2.gz NAHFLEZXDIVQIA-LTGZKZEYSA-N 0 0 339.439 3.250 50 30 EGEARN CC(C)Oc1cccc(C2N=NC(=S)N2N=Cc2ccco2)c1 ZINC000005817438 452903357 /nfs/dbraw/zinc/90/33/57/452903357.db2.gz HHVHFGNGZKHSKT-LICLKQGHSA-N 0 0 328.397 3.496 50 30 EGEARN Cc1c(C#N)c(NC(=O)Cc2ccccc2C)sc1C(=O)N(C)C ZINC000006727018 452977819 /nfs/dbraw/zinc/97/78/19/452977819.db2.gz HBXGAFUYXOKDEA-UHFFFAOYSA-N 0 0 341.436 3.120 50 30 EGEARN CC(N=Nc1nn2cnnc2c2ccccc21)c1ccc(Cl)s1 ZINC000006780405 452986420 /nfs/dbraw/zinc/98/64/20/452986420.db2.gz JKHDYCMKWSVWPH-GIJQJNRQSA-N 0 0 342.815 3.250 50 30 EGEARN C#CCn1c2ccccc2nc1[C@H]1CC(=O)N(Cc2cccs2)C1 ZINC000007543149 453085589 /nfs/dbraw/zinc/08/55/89/453085589.db2.gz WOARDGUZLXGRQL-AWEZNQCLSA-N 0 0 335.432 3.247 50 30 EGEARN Cc1ccc(-c2cc(C(=O)Nc3nn[nH]n3)c3ccccc3n2)cc1 ZINC000008550604 453212926 /nfs/dbraw/zinc/21/29/26/453212926.db2.gz BQPUACFYJCNWEW-UHFFFAOYSA-N 0 0 330.351 3.360 50 30 EGEARN COc1ccc(C[C@H]2S/C(=N\c3ccc(F)cc3)NC2=O)cc1 ZINC000013425368 453462996 /nfs/dbraw/zinc/46/29/96/453462996.db2.gz OCTRNRAGXWYDEH-OAHLLOKOSA-N 0 0 330.384 3.296 50 30 EGEARN COc1ccc(/C=C2\Oc3cc(OCC#N)ccc3C2=O)cc1OC ZINC000013759609 453488851 /nfs/dbraw/zinc/48/88/51/453488851.db2.gz YGUYEXCHVRCDMZ-ZDLGFXPLSA-N 0 0 337.331 3.222 50 30 biogenic EGEARN O=C([C@@H](c1ccccc1F)N1CC[C@@H]2SC(=O)C=C2C1)C1CC1 ZINC000013901974 453491429 /nfs/dbraw/zinc/49/14/29/453491429.db2.gz MJAMUSZUMAHFLH-DOTOQJQBSA-N 0 0 331.412 3.120 50 30 EGEARN C=CCCC(=O)N1CC[C@@]2(C1)CCCN(Cc1ccc(F)cc1)C2=O ZINC000015078023 453555348 /nfs/dbraw/zinc/55/53/48/453555348.db2.gz VDWUQUDSENNRBG-HXUWFJFHSA-N 0 0 344.430 3.133 50 30 EGEARN COc1ccc2c(c1)ncc(C#N)c2NCc1ccc2c(c1)OCO2 ZINC000016841762 453623327 /nfs/dbraw/zinc/62/33/27/453623327.db2.gz KTFNJLVCPXLNSV-UHFFFAOYSA-N 0 0 333.347 3.456 50 30 EGEARN O=S(=O)(/N=C/c1cc(Br)ccc1O)c1cccs1 ZINC000018041725 453641920 /nfs/dbraw/zinc/64/19/20/453641920.db2.gz RLJPAGCXRRUBGH-NTUHNPAUSA-N 0 0 346.227 3.024 50 30 EGEARN O=C1CCCC2=Nc3nnnn3[C@H](c3c(Cl)cccc3Cl)C12 ZINC000018196009 453647715 /nfs/dbraw/zinc/64/77/15/453647715.db2.gz PXSUJXPJWDUEQU-CYBMUJFWSA-N 0 0 336.182 3.002 50 30 EGEARN COc1cc(C=NNc2nc3ccccc3[nH]2)cc(OC)c1OC ZINC000031939347 453858462 /nfs/dbraw/zinc/85/84/62/453858462.db2.gz WXJUGVRDGAAXMB-ZDLGFXPLSA-N 0 0 326.356 3.035 50 30 EGEARN CC[C@H](C(=O)N1CCCN(c2ncccc2C#N)CC1)c1ccccc1 ZINC000055740173 454010944 /nfs/dbraw/zinc/01/09/44/454010944.db2.gz JSNAPLPFSKAIKF-IBGZPJMESA-N 0 0 348.450 3.186 50 30 EGEARN COc1ccc(OC)c([C@@H]2CCN(C(=O)c3ccc(C#N)cc3)C2)c1 ZINC000077341884 454094327 /nfs/dbraw/zinc/09/43/27/454094327.db2.gz VGTZLBUNEHNELA-MRXNPFEDSA-N 0 0 336.391 3.205 50 30 EGEARN N#Cc1cccc(C(=O)NCCCn2ncc3c2cccc3Cl)c1 ZINC000071196092 454202349 /nfs/dbraw/zinc/20/23/49/454202349.db2.gz AESHRYKPQRKKDO-UHFFFAOYSA-N 0 0 338.798 3.381 50 30 EGEARN C[C@H]1SCc2c1nc(N)c(C#N)c2-c1ccc([O-])c(C[NH+](C)C)c1 ZINC000071404227 454206754 /nfs/dbraw/zinc/20/67/54/454206754.db2.gz UCGHDLFAUDCSJC-SNVBAGLBSA-N 0 0 340.452 3.277 50 30 EGEARN Cc1sc(N)nc1-c1cc(-c2cc(F)ccc2F)c(C#N)c(N)n1 ZINC000071479613 454207245 /nfs/dbraw/zinc/20/72/45/454207245.db2.gz ILDWTXBDXTTWJQ-UHFFFAOYSA-N 0 0 343.362 3.495 50 30 EGEARN N#Cc1c(N)nc(-c2c[nH]c3ccccc32)cc1-c1ccc(CO)o1 ZINC000071708091 454209970 /nfs/dbraw/zinc/20/99/70/454209970.db2.gz NOQSUWUSBCZZHS-UHFFFAOYSA-N 0 0 330.347 3.436 50 30 EGEARN Cc1n[nH]c(C)c1-c1cc(-c2cc(F)cc(F)c2)nc(N)c1C#N ZINC000071749735 454212628 /nfs/dbraw/zinc/21/26/28/454212628.db2.gz YHCXOOZHUTYZGC-UHFFFAOYSA-N 0 0 325.322 3.488 50 30 EGEARN COc1ccccc1OCC#CCNC(=O)c1cc2ccccc2o1 ZINC000090610385 454327703 /nfs/dbraw/zinc/32/77/03/454327703.db2.gz MTMPEAGSSOESAR-UHFFFAOYSA-N 0 0 335.359 3.254 50 30 EGEARN Cc1nc(C(=O)Nc2cccc(C#N)c2)nn1-c1cccc(Cl)c1 ZINC000252498528 455815266 /nfs/dbraw/zinc/81/52/66/455815266.db2.gz RDYWGRNEYNYLKP-UHFFFAOYSA-N 0 0 337.770 3.353 50 30 EGEARN CC(=O)[C@@H]1CC(=O)[C@@H]2[C@H]3CCC4=CC(=O)CC[C@@]4(C)[C@@H]3CC(=O)[C@@]12C ZINC000254393681 455855969 /nfs/dbraw/zinc/85/59/69/455855969.db2.gz QQFLSXLNHSKYDE-GFYPJBIUSA-N 0 0 342.435 3.082 50 30 EGEARN C[C@@]12C[C@@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC/C2=C/CO ZINC000257356034 455897833 /nfs/dbraw/zinc/89/78/33/455897833.db2.gz FIMYJWIQTVIDQB-ZUGYKUCZSA-N 0 0 328.452 3.184 50 30 EGEARN C=C1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1cc(Cl)ccc1OC ZINC000660069084 461569469 /nfs/dbraw/zinc/56/94/69/461569469.db2.gz XPFBRVLRILOYJS-BETUJISGSA-N 0 0 327.833 3.220 50 30 EGEARN C#CCN1c2ccccc2[C@@](O)(CC(=O)c2ccc(C(C)C)cc2)C1=O ZINC000000339895 518273615 /nfs/dbraw/zinc/27/36/15/518273615.db2.gz XSJKIKMHTGGNOE-QFIPXVFZSA-N 0 0 347.414 3.250 50 30 EGEARN C=CCC(=O)N1CC[C@@]2(C1)CCCN(CCCc1ccccc1)C2=O ZINC000012439368 518686406 /nfs/dbraw/zinc/68/64/06/518686406.db2.gz DLKQRZFPJSTCDA-OAQYLSRUSA-N 0 0 340.467 3.036 50 30 EGEARN C=CCn1c(CNC(=O)C2CC2)nnc1SCc1cccc(C)c1 ZINC000012454364 519180414 /nfs/dbraw/zinc/18/04/14/519180414.db2.gz YQFCYQHPLXBFAA-UHFFFAOYSA-N 0 0 342.468 3.091 50 30 EGEARN CCOC(=O)C(C)N=Nc1nc(-c2ccc(NC(C)=O)cc2)cs1 ZINC000000551161 520398542 /nfs/dbraw/zinc/39/85/42/520398542.db2.gz POISWBUJONFAHJ-VXLYETTFSA-N 0 0 346.412 3.119 50 30 EGEARN CCOC(=O)C(=O)Nc1nnc(SCc2ccc(F)cc2)s1 ZINC000007037094 520399291 /nfs/dbraw/zinc/39/92/91/520399291.db2.gz ZUJWBLBMPCEVBJ-UHFFFAOYSA-N 0 0 341.389 3.121 50 30 EGEARN COc1cc(C(=O)C=CNc2cccc(O)c2)cc(OC)c1OC ZINC000000459152 522049264 /nfs/dbraw/zinc/04/92/64/522049264.db2.gz BIXCTNOEDVSNNT-BQYQJAHWSA-N 0 0 329.352 3.227 50 30 EGEARN COc1ccc(C(=O)C=C(C)NCc2ccc3c(c2)OCO3)cc1 ZINC000017355404 523535713 /nfs/dbraw/zinc/53/57/13/523535713.db2.gz MLKPZWBQRRHAMF-UKTHLTGXSA-N 0 0 325.364 3.300 50 30 EGEARN COC(=O)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F ZINC000068576150 523825527 /nfs/dbraw/zinc/82/55/27/523825527.db2.gz DSKGYKJXZRFRDP-GSVOUGTGSA-N 0 0 344.076 3.195 50 30 EGEARN CN1c2ccccc2[C@](O)(CC(=O)C=CC=Cc2ccccc2)C1=O ZINC000002988188 524037061 /nfs/dbraw/zinc/03/70/61/524037061.db2.gz DHXLGCCCWUZASP-ZCKJQCEFSA-N 0 0 333.387 3.079 50 30 EGEARN COc1ccc(Cl)cc1C(=O)ONC(=N)c1ccc(Cl)cc1 ZINC000004685126 524200031 /nfs/dbraw/zinc/20/00/31/524200031.db2.gz YITGQBUARUGEIR-UHFFFAOYSA-N 0 0 339.178 3.479 50 30 EGEARN C[C@H]1CN(c2snnc2/C=C/C(=O)c2ccccc2)C[C@H](C)O1 ZINC000005242872 524681149 /nfs/dbraw/zinc/68/11/49/524681149.db2.gz WOHAKMRPKXRXBF-TYDXBBDOSA-N 0 0 329.425 3.048 50 30 EGEARN N#C[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)NCCc1ccccc1 ZINC000049545798 526509135 /nfs/dbraw/zinc/50/91/35/526509135.db2.gz OCUUXGPLGNPTPN-HNNXBMFYSA-N 0 0 335.382 3.348 50 30 EGEARN N=C(NOC(=O)C(c1ccccc1)c1ccccc1)c1cccnc1 ZINC000005027377 526807615 /nfs/dbraw/zinc/80/76/15/526807615.db2.gz GUKBELCODPYZJR-UHFFFAOYSA-N 0 0 331.375 3.077 50 30 EGEARN N=C(NOC(=O)CCc1ccccc1)c1ccc(Br)cc1 ZINC000004191746 526808576 /nfs/dbraw/zinc/80/85/76/526808576.db2.gz BBFVYKWNWPKUCJ-UHFFFAOYSA-N 0 0 347.212 3.245 50 30 EGEARN Cc1cc(N2CCCC2)ccc1/C=N/N1C(=O)c2ccccc2C1=O ZINC000004738531 210264813 /nfs/dbraw/zinc/26/48/13/210264813.db2.gz CKSVFDGTICVQGN-FYJGNVAPSA-N 0 0 333.391 3.225 50 30 EGEARN CC/N=C1\S/C(=C/c2ccc(OC)c(OCC)c2)C(=O)N1CC ZINC000004695903 210250100 /nfs/dbraw/zinc/25/01/00/210250100.db2.gz MLRIJTQFILPPFW-ODVGHASUSA-N 0 0 334.441 3.406 50 30 EGEARN C=CCn1c(C)c(C(=O)OCC)s/c1=N/c1cccc([N+](=O)[O-])c1 ZINC000100840869 219108729 /nfs/dbraw/zinc/10/87/29/219108729.db2.gz JOJZOYZZASJZGY-WUKNDPDISA-N 0 0 347.396 3.361 50 30 EGEARN COc1ccccc1CNC1=C(Cl)C(=O)c2ccccc2C1=O ZINC000100939762 219112230 /nfs/dbraw/zinc/11/22/30/219112230.db2.gz UTLHSPQGOWJLFM-UHFFFAOYSA-N 0 0 327.767 3.314 50 30 EGEARN N#CC(C#N)(c1c[nH]c2ccccc21)C1C(=O)c2ccccc2C1=O ZINC000100990310 219112735 /nfs/dbraw/zinc/11/27/35/219112735.db2.gz YLBSNRRZZZDKFK-UHFFFAOYSA-N 0 0 325.327 3.148 50 30 EGEARN COc1c2c(cc3c1[C@H]([C@H](C#N)c1ccccc1)N(C)CC3)OCO2 ZINC000102808198 219232155 /nfs/dbraw/zinc/23/21/55/219232155.db2.gz ZFNRSRSOZRYKBW-QAPCUYQASA-N 0 0 336.391 3.260 50 30 biogenic EGEARN N#Cc1cccnc1NCc1cccnc1-n1cnc2ccccc21 ZINC000067983236 215267883 /nfs/dbraw/zinc/26/78/83/215267883.db2.gz OBCSBSPXDLKRMY-UHFFFAOYSA-N 0 0 326.363 3.299 50 30 EGEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(C)n1 ZINC000100231422 290922078 /nfs/dbraw/zinc/92/20/78/290922078.db2.gz DMGSUCAJDRTLFG-GOSISDBHSA-N 0 0 340.423 3.167 50 30 EGEARN COC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(C)cc1 ZINC000000203543 290925616 /nfs/dbraw/zinc/92/56/16/290925616.db2.gz KOUZONRKPDKPHU-OAHLLOKOSA-N 0 0 341.407 3.095 50 30 EGEARN N#Cc1c(N)nc2c(c1-c1ccco1)CN(c1ccccc1F)CC2 ZINC000071762417 283077991 /nfs/dbraw/zinc/07/79/91/283077991.db2.gz HUBPIOYBTFJFNY-UHFFFAOYSA-N 0 0 334.354 3.497 50 30 EGEARN COc1cccc(-c2csc3ncnc(-n4ncc(C#N)c4N)c23)c1 ZINC000036646091 213107293 /nfs/dbraw/zinc/10/72/93/213107293.db2.gz JIGAGJOHLOHNIG-UHFFFAOYSA-N 0 0 348.391 3.006 50 30 EGEARN OCC#Cc1csc(-c2nccn2-c2cnc3ccccc3c2)c1 ZINC000072172694 216064241 /nfs/dbraw/zinc/06/42/41/216064241.db2.gz SHAKHKGZUQBDKT-UHFFFAOYSA-N 0 0 331.400 3.493 50 30 EGEARN CCOC(=O)C(=NNc1ccc(Oc2ccccc2)cc1)C(C)=O ZINC000000068771 209399284 /nfs/dbraw/zinc/39/92/84/209399284.db2.gz HICINQYTJXGMQT-LVZFUZTISA-N 0 0 326.352 3.399 50 30 EGEARN COc1cccc(OC)c1C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000000054243 209391983 /nfs/dbraw/zinc/39/19/83/209391983.db2.gz MVXYSZHPBXAOFV-UHFFFAOYSA-N 0 0 328.393 3.378 50 30 EGEARN N#Cc1ccccc1-c1nc([C@@]2(c3ccc(F)cc3)CCOC2)no1 ZINC000020866159 212178390 /nfs/dbraw/zinc/17/83/90/212178390.db2.gz IIDYSCHLZQBFNI-IBGZPJMESA-N 0 0 335.338 3.454 50 30 EGEARN N#Cc1cc2c(N)c(C(=O)Nc3cccc(Cl)c3)sc2nc1N ZINC000020131056 212104374 /nfs/dbraw/zinc/10/43/74/212104374.db2.gz BTLXHQNRIPYZNW-UHFFFAOYSA-N 0 0 343.799 3.238 50 30 EGEARN Oc1cccc(/C=N/N2CCN(Cc3ccc(Cl)cc3)CC2)c1 ZINC000019773242 212063955 /nfs/dbraw/zinc/06/39/55/212063955.db2.gz JVPGCENVDPAAFH-DEDYPNTBSA-N 0 0 329.831 3.197 50 30 EGEARN Cc1c(/N=C2\C=CC(=O)c3ccccc32)c(=O)n(-c2ccccc2)n1C ZINC000018100193 291482392 /nfs/dbraw/zinc/48/23/92/291482392.db2.gz BPCUUELBULRONU-RELWKKBWSA-N 0 0 343.386 3.358 50 30 EGEARN COC(=O)c1sc(/N=C/c2ccc3c(c2)OCO3)c(C#N)c1C ZINC000016249632 211892566 /nfs/dbraw/zinc/89/25/66/211892566.db2.gz BJTVCAGXJSQKFZ-CNHKJKLMSA-N 0 0 328.349 3.194 50 30 EGEARN C=CCNC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)c(C)c1 ZINC000010314604 211162243 /nfs/dbraw/zinc/16/22/43/211162243.db2.gz DGISYTSYCOCFBO-UHFFFAOYSA-N 0 0 344.436 3.020 50 30 EGEARN COC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1ccccc1F)C2=O ZINC000009051889 211034852 /nfs/dbraw/zinc/03/48/52/211034852.db2.gz XQVWQRMRXOICIY-JWHLFPLYSA-N 0 0 342.322 3.382 50 30 EGEARN CCCc1nc(CNC(=O)Nc2ccc(OC)c(C#N)c2)cs1 ZINC000096132937 218617971 /nfs/dbraw/zinc/61/79/71/218617971.db2.gz JTGCRHSHTWGKKY-UHFFFAOYSA-N 0 0 330.413 3.298 50 30 EGEARN O=C(/C=C/c1ccc(I)o1)c1ccncc1 ZINC000005263572 210429164 /nfs/dbraw/zinc/42/91/64/210429164.db2.gz DLNDQZCGGQDJGL-HNQUOIGGSA-N 0 0 325.105 3.175 50 30 EGEARN C[C@@H]1S/C(=N/N=C/c2ccco2)N(Cc2ccc(F)cc2)C1=O ZINC000004939295 210329837 /nfs/dbraw/zinc/32/98/37/210329837.db2.gz PUNDVMYMRBBBEF-JVGDJSOHSA-N 0 0 331.372 3.273 50 30 EGEARN COC(=O)c1ccc(NC=CC(=O)c2ccc3c(c2)OCO3)cc1 ZINC000004905364 210319341 /nfs/dbraw/zinc/31/93/41/210319341.db2.gz SXMFUIDYFDOFBW-CMDGGOBGSA-N 0 0 325.320 3.010 50 30 EGEARN Cc1ccccc1C[C@H]1S/C(=N/N=C/c2cccs2)NC1=O ZINC000004898968 210316211 /nfs/dbraw/zinc/31/62/11/210316211.db2.gz HHLDEULGVNOHDE-NGWPFTMJSA-N 0 0 329.450 3.221 50 30 EGEARN CC[C@@H](C(=O)Nc1sc(C(N)=O)c(C)c1C#N)c1ccccc1 ZINC000004750065 210270246 /nfs/dbraw/zinc/27/02/46/210270246.db2.gz PLRRVGLBMOQTOF-GFCCVEGCSA-N 0 0 327.409 3.159 50 30 EGEARN C=CCN(Cc1ccco1)C(=O)[C@H]1COc2c(cccc2OC)C1 ZINC000065420770 258012288 /nfs/dbraw/zinc/01/22/88/258012288.db2.gz MJPQMORKPPFRTP-OAHLLOKOSA-N 0 0 327.380 3.054 50 30 EGEARN COc1cccc(/C=N/n2cnc3sc4c(c3c2=O)CCCC4)c1 ZINC000000119033 258047374 /nfs/dbraw/zinc/04/73/74/258047374.db2.gz BGBNRKSISXZSEH-KEBDBYFISA-N 0 0 339.420 3.228 50 30 EGEARN COc1ccccc1C=CC=NN1C(=S)N=NC1c1ccco1 ZINC000002344417 258049628 /nfs/dbraw/zinc/04/96/28/258049628.db2.gz UKJJPWCLBHICAX-CUQLSPFUSA-N 0 0 326.381 3.383 50 30 EGEARN COC(=O)Nc1n[nH]c(SCc2cccc(C(F)(F)F)c2)n1 ZINC000017117891 258056757 /nfs/dbraw/zinc/05/67/57/258056757.db2.gz NJFAAAOMAMNFFY-UHFFFAOYSA-N 0 0 332.307 3.308 50 30 EGEARN O=c1c(C=NNc2ccccc2)c(N2CCCCC2)nc2ccccn21 ZINC000004738082 135666253 /nfs/dbraw/zinc/66/62/53/135666253.db2.gz WXRKTPPTTXIEBE-RCCKNPSSSA-N 0 0 347.422 3.131 50 30 EGEARN CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1 ZINC000002566679 285671617 /nfs/dbraw/zinc/67/16/17/285671617.db2.gz LRNXUFGJTBOSHN-OAHLLOKOSA-N 0 0 341.407 3.177 50 30 EGEARN CCCCn1c(C)c(C)nc1S(=O)(=O)Cc1ccc(C#N)cc1 ZINC000063870114 161561678 /nfs/dbraw/zinc/56/16/78/161561678.db2.gz WYWOLAVWSSYQNA-UHFFFAOYSA-N 0 0 331.441 3.146 50 30 EGEARN C=CCn1c2sc3c(c2c2nc(-c4ccco4)nn2c1=O)CCC3 ZINC000013736559 275750057 /nfs/dbraw/zinc/75/00/57/275750057.db2.gz QNKNTFUOEMRRLH-UHFFFAOYSA-N 0 0 338.392 3.040 50 30 EGEARN N#Cc1cc2cc(Br)cc(Br)c2nc1N ZINC000019850938 279508866 /nfs/dbraw/zinc/50/88/66/279508866.db2.gz PPUZTSAXSJFDBB-UHFFFAOYSA-N 0 0 326.979 3.214 50 30 EGEARN CC1(C)CC(=O)C2(C(=O)C1)[C@@H](c1ccc(Cl)cc1)C2(C#N)C#N ZINC000001383826 280890535 /nfs/dbraw/zinc/89/05/35/280890535.db2.gz MWHHZYWFLHIBFN-HNNXBMFYSA-N 0 0 326.783 3.415 50 30 EGEARN CC1(C)CC(=O)C2C(=Nc3c(C#N)cnn3[C@@H]2c2ccc(O)cc2)C1 ZINC000040284446 280891654 /nfs/dbraw/zinc/89/16/54/280891654.db2.gz WOZOWKOMNZFWMU-QGZVFWFLSA-N 0 0 334.379 3.118 50 30 EGEARN N#CC(C#N)=c1ccc2c(c1)N1C3=C(CCCC3)C[C@H]3CCCC[C@@]31N=2 ZINC000000494035 303138223 /nfs/dbraw/zinc/13/82/23/303138223.db2.gz JFTMWZCGZPOWHG-GCJKJVERSA-N 0 0 342.446 3.442 50 30 EGEARN N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2nc3cc(F)ccc3[nH]2)cn1 ZINC000072425619 303188116 /nfs/dbraw/zinc/18/81/16/303188116.db2.gz ZTPRXCJFPWFMMV-QGZVFWFLSA-N 0 0 349.369 3.336 50 30 EGEARN CC(O)=C1C(=O)C(=O)N(c2ccc(O)cc2)[C@@H]1c1ccc(F)cc1 ZINC000000080233 452500578 /nfs/dbraw/zinc/50/05/78/452500578.db2.gz LEQUCPMBDDNNFN-MRXNPFEDSA-N 0 0 327.311 3.020 50 30 EGEARN COc1ccc(-n2c(N)c(C#N)c3nc4ccccc4nc32)c(OC)c1 ZINC000000090119 452503876 /nfs/dbraw/zinc/50/38/76/452503876.db2.gz TXPNSWZBGZZIID-UHFFFAOYSA-N 0 0 345.362 3.045 50 30 EGEARN CC[C@H](Sc1nc(C)cc(C)c1C#N)C(=O)Nc1cc(C)on1 ZINC000000090723 452504195 /nfs/dbraw/zinc/50/41/95/452504195.db2.gz XVPHEPFXSOOTFW-ZDUSSCGKSA-N 0 0 330.413 3.376 50 30 EGEARN NC1=C(c2nc3ccccc3s2)C(=O)CN1CCc1ccccc1 ZINC000000132180 452516062 /nfs/dbraw/zinc/51/60/62/452516062.db2.gz LLSLSHBHLUJZFY-UHFFFAOYSA-N 0 0 335.432 3.051 50 30 EGEARN CC(=O)C1=C(O)C(=O)N(CCc2ccccc2)[C@@H]1c1ccccc1F ZINC000000183897 452531114 /nfs/dbraw/zinc/53/11/14/452531114.db2.gz YIGVGXGXMZWJJL-GOSISDBHSA-N 0 0 339.366 3.353 50 30 EGEARN N#Cc1c(N)c(C(=O)c2ccc(Br)cc2)n2ccccc12 ZINC000000192048 452531693 /nfs/dbraw/zinc/53/16/93/452531693.db2.gz VADMXOZPLCPNDT-UHFFFAOYSA-N 0 0 340.180 3.387 50 30 EGEARN CC(O)=C1C(=O)C(=O)N(c2ccccc2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000000535237 452615951 /nfs/dbraw/zinc/61/59/51/452615951.db2.gz IFMLKNGOPSNUJP-INIZCTEOSA-N 0 0 338.319 3.084 50 30 EGEARN CCCN(CCC)c1nc2ccccc2nc1[C@H](C#N)C(=O)OC ZINC000000548270 452620072 /nfs/dbraw/zinc/62/00/72/452620072.db2.gz CGHAQWBHLAFCHN-ZDUSSCGKSA-N 0 0 326.400 3.036 50 30 EGEARN N#Cc1cc(Br)ccc1OCC(=O)Nc1ccccc1 ZINC000000551564 452620545 /nfs/dbraw/zinc/62/05/45/452620545.db2.gz JUXWIHQNPXXYBU-UHFFFAOYSA-N 0 0 331.169 3.338 50 30 EGEARN Cc1c(NC(=O)Nc2cccc(C#N)c2)c(=O)n(-c2ccccc2)n1C ZINC000000612658 452631758 /nfs/dbraw/zinc/63/17/58/452631758.db2.gz PCAWWLNENVYGGC-UHFFFAOYSA-N 0 0 347.378 3.000 50 30 EGEARN COc1ccc(-c2nc3ccc(Cl)cc3n2OC(=O)N(C)C)cc1 ZINC000001389350 452658156 /nfs/dbraw/zinc/65/81/56/452658156.db2.gz XUQKCALBMTZLPZ-UHFFFAOYSA-N 0 0 345.786 3.476 50 30 EGEARN N#Cc1ccc(N2CCN(C(=O)c3cccc(Cl)c3)CC2)cc1 ZINC000001390034 452658786 /nfs/dbraw/zinc/65/87/86/452658786.db2.gz CRAMCYFAQIBEOO-UHFFFAOYSA-N 0 0 325.799 3.174 50 30 EGEARN COc1ccc(OC)c([C@@H]2CC(=O)OC3=C2C(=O)CC(C)(C)C3)c1 ZINC000001422960 452663671 /nfs/dbraw/zinc/66/36/71/452663671.db2.gz XKHONPFXXNRICD-ZDUSSCGKSA-N 0 0 330.380 3.378 50 30 EGEARN C=CCN1C(=O)C(=Cc2cn(CC)c3ccccc23)C(=O)NC1=S ZINC000001900853 452680656 /nfs/dbraw/zinc/68/06/56/452680656.db2.gz KMNSTRMEICBSPJ-GXDHUFHOSA-N 0 0 339.420 3.314 50 30 EGEARN C=CCOc1ccc(C(=O)Nc2ccc(C(=O)OCC)cc2)c(O)c1 ZINC000002813211 452728740 /nfs/dbraw/zinc/72/87/40/452728740.db2.gz MCSHTIOGRBBSLT-UHFFFAOYSA-N 0 0 341.363 3.386 50 30 EGEARN C=CCNC(=O)/C(=C\c1cccs1)NC(=O)c1ccc(C)cc1 ZINC000003055421 452740429 /nfs/dbraw/zinc/74/04/29/452740429.db2.gz KEJOUGVNPJGCEB-FOWTUZBSSA-N 0 0 326.421 3.130 50 30 EGEARN Cc1ccc([C@H]2CC(=O)NC3=C2C(=O)CCC3)cc1Br ZINC000004078654 452792116 /nfs/dbraw/zinc/79/21/16/452792116.db2.gz MSYWXUFHHYPHDZ-LLVKDONJSA-N 0 0 334.213 3.368 50 30 EGEARN Cc1cc(C)c(C#N)c(SC[C@@H](O)COCc2ccccc2)n1 ZINC000005353255 452862583 /nfs/dbraw/zinc/86/25/83/452862583.db2.gz QBYMKHIEFYOMEC-INIZCTEOSA-N 0 0 328.437 3.240 50 30 EGEARN COc1ccc2c(c1)/C(=N/OS(=O)(=O)c1ccc(C)cc1)CCC2 ZINC000005415962 452869647 /nfs/dbraw/zinc/86/96/47/452869647.db2.gz JYVZHEYOQGNVJZ-VHEBQXMUSA-N 0 0 345.420 3.450 50 30 in-vitro EGEARN C/C(=N\NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000005895823 452908284 /nfs/dbraw/zinc/90/82/84/452908284.db2.gz XGIOAWSEHFREFY-LICLKQGHSA-N 0 0 326.780 3.182 50 30 EGEARN Cc1nnc(SCC(=O)Nc2ccc(C#N)cc2)n1-c1ccccc1 ZINC000006334956 452937602 /nfs/dbraw/zinc/93/76/02/452937602.db2.gz NUMKRQQCZBAYFW-UHFFFAOYSA-N 0 0 349.419 3.178 50 30 EGEARN CSc1nc2n(n1)[C@H](c1ccccc1F)C1C(=O)CCCC1=N2 ZINC000006677823 452967135 /nfs/dbraw/zinc/96/71/35/452967135.db2.gz KNBHCVQUCDMXNW-CQSZACIVSA-N 0 0 330.388 3.161 50 30 EGEARN COc1ccc(/C=C2\Oc3cc(OC(=O)N(C)C)ccc3C2=O)cc1 ZINC000012859565 453415789 /nfs/dbraw/zinc/41/57/89/453415789.db2.gz SBSWUNJAUDECHP-YVLHZVERSA-N 0 0 339.347 3.372 50 30 biogenic EGEARN CC(=O)C1C(=O)[C@@H]2c3c[nH]c4cccc(c43)C[C@@H]2C(C)(C)N(C)C1=O ZINC000012956093 453430746 /nfs/dbraw/zinc/43/07/46/453430746.db2.gz WJCPGKDPOYBOOJ-NRXCIGNBSA-N 0 0 338.407 3.076 50 30 EGEARN C=CCNc1ncnc2sc(C(=O)N3CCC(C)CC3)c(C)c21 ZINC000014992089 453550250 /nfs/dbraw/zinc/55/02/50/453550250.db2.gz DZTURIBYXCTHLD-UHFFFAOYSA-N 0 0 330.457 3.470 50 30 EGEARN C=CCN1C(=O)/C(=C/c2cc(OC)c(O)cc2Cl)SC1=S ZINC000015016606 453552107 /nfs/dbraw/zinc/55/21/07/453552107.db2.gz FEDFYHGNFRTHMO-SDQBBNPISA-N 0 0 341.841 3.441 50 30 EGEARN O=S(=O)(/N=C(\c1ccccc1)N1CCCC1)c1ccc(F)cc1 ZINC000016448512 453607265 /nfs/dbraw/zinc/60/72/65/453607265.db2.gz MYTWEDIXBYJHDD-HTXNQAPBSA-N 0 0 332.400 3.057 50 30 EGEARN CC/C(=N/NS(=O)(=O)c1ccc(CC)cc1)c1ccccc1O ZINC000017068376 453628126 /nfs/dbraw/zinc/62/81/26/453628126.db2.gz NEPRFAOETCBCDC-VLGSPTGOSA-N 0 0 332.425 3.047 50 30 EGEARN CC(O)=C1C(=O)C(=O)N(c2ccc(O)cc2)[C@H]1c1ccccc1F ZINC000017838268 453638376 /nfs/dbraw/zinc/63/83/76/453638376.db2.gz CUSUMEOSPXIFFB-INIZCTEOSA-N 0 0 327.311 3.020 50 30 EGEARN Cc1ccccc1NC1=NC(=S)N(CC#N)[C@]12CCOC(C)(C)C2 ZINC000018056516 453642019 /nfs/dbraw/zinc/64/20/19/453642019.db2.gz CWZBLBUWNZTYOW-SFHVURJKSA-N 0 0 342.468 3.478 50 30 EGEARN Cc1cc(C)nc(N=C(NC(=O)C(C)C)Nc2ccc(F)cc2)n1 ZINC000018126087 453644532 /nfs/dbraw/zinc/64/45/32/453644532.db2.gz MDBLPUDCNBDSAY-UHFFFAOYSA-N 0 0 329.379 3.295 50 30 EGEARN Cc1ccccc1NC1=NC(=S)N(CC#N)[C@@]12CCOC(C)(C)C2 ZINC000018177708 453646004 /nfs/dbraw/zinc/64/60/04/453646004.db2.gz CWZBLBUWNZTYOW-GOSISDBHSA-N 0 0 342.468 3.478 50 30 EGEARN CC(C)c1nc(C#N)c(NC[C@H](c2cccs2)N2CCOCC2)o1 ZINC000027794100 453820469 /nfs/dbraw/zinc/82/04/69/453820469.db2.gz CFZNNSLJDNRSMH-CQSZACIVSA-N 0 0 346.456 3.217 50 30 EGEARN N#CC1=NN(c2ccc(Cl)cc2Cl)[C@@H]2CCCCCN2C1=O ZINC000033436182 453914749 /nfs/dbraw/zinc/91/47/49/453914749.db2.gz UPNJAXFDUAVGLY-CQSZACIVSA-N 0 0 337.210 3.422 50 30 EGEARN N#Cc1ccccc1C(=O)N1CCC(c2nccn2CC2CC2)CC1 ZINC000082083160 453922447 /nfs/dbraw/zinc/92/24/47/453922447.db2.gz FQFVFEVIJHLSFZ-UHFFFAOYSA-N 0 0 334.423 3.185 50 30 EGEARN COc1ccc(/C=C2/Cc3cc(OC)c(OC)cc3C2=O)cc1O ZINC000085875077 454040876 /nfs/dbraw/zinc/04/08/76/454040876.db2.gz CZANROICBWKETJ-MLPAPPSSSA-N 0 0 326.348 3.240 50 30 biogenic EGEARN Cc1nc2c(c(=O)[nH]1)[C@H](c1ccccc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000044974042 454130670 /nfs/dbraw/zinc/13/06/70/454130670.db2.gz UNSRNGSULWDDQC-OAHLLOKOSA-N 0 0 335.407 3.279 50 30 EGEARN Cn1cc(-c2cc(-c3cc(F)c(F)c(F)c3)nc(N)c2C#N)cn1 ZINC000071749911 454212662 /nfs/dbraw/zinc/21/26/62/454212662.db2.gz JBMNGBUNFFPGNS-UHFFFAOYSA-N 0 0 329.285 3.020 50 30 EGEARN Cc1nn(C)c2nc(N3CCC(C#N)(c4ccccc4)CC3)sc12 ZINC000095525005 454227272 /nfs/dbraw/zinc/22/72/72/454227272.db2.gz OHKBKCOUFSFOGB-UHFFFAOYSA-N 0 0 337.452 3.400 50 30 EGEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(C)n1 ZINC000100231420 454465076 /nfs/dbraw/zinc/46/50/76/454465076.db2.gz DMGSUCAJDRTLFG-SFHVURJKSA-N 0 0 340.423 3.167 50 30 EGEARN C=CCOc1ccccc1-c1c(C#N)c(N)nc2c1N1CCC2CC1 ZINC000101317938 454470103 /nfs/dbraw/zinc/47/01/03/454470103.db2.gz ZPWSVXDWQXBZQT-UHFFFAOYSA-N 0 0 332.407 3.465 50 30 EGEARN CC(=O)c1[nH]c(C)c(C(=O)N(CC#Cc2ccccc2)C2CC2)c1C ZINC000065383012 454557368 /nfs/dbraw/zinc/55/73/68/454557368.db2.gz MPOXBBILQVDNNE-UHFFFAOYSA-N 0 0 334.419 3.490 50 30 EGEARN C=CCc1cc([C@H]2CC(=O)Nc3n[nH]cc32)cc(OCC)c1OC ZINC000065432529 454567443 /nfs/dbraw/zinc/56/74/43/454567443.db2.gz LWGTXRYBWUKMLO-CYBMUJFWSA-N 0 0 327.384 3.020 50 30 EGEARN C[C@]12CC(=O)[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC1OC(=O)C=C12 ZINC000257357979 455897813 /nfs/dbraw/zinc/89/78/13/455897813.db2.gz RBULKOMEEZXUGR-FYBFFCPCSA-N 0 0 340.419 3.159 50 30 EGEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(C#N)cc1 ZINC000226760333 456112338 /nfs/dbraw/zinc/11/23/38/456112338.db2.gz MRKUPFJNRYAJLD-SFHVURJKSA-N 0 0 336.391 3.089 50 30 EGEARN C=C(C)COc1cccc(C(=O)N(C)Cc2cn(CC)nc2C)c1 ZINC000426651366 457871347 /nfs/dbraw/zinc/87/13/47/457871347.db2.gz PTNQTKJREHBMKV-UHFFFAOYSA-N 0 0 327.428 3.439 50 30 EGEARN N#Cc1cc(F)c(Br)cc1I ZINC000575687542 459993047 /nfs/dbraw/zinc/99/30/47/459993047.db2.gz CVSBHCCHEVBALZ-UHFFFAOYSA-N 0 0 325.906 3.064 50 30 EGEARN C=CCC(=O)N1CCC[C@@H](CCC(=O)NCc2ccccc2F)C1 ZINC000012749937 518683820 /nfs/dbraw/zinc/68/38/20/518683820.db2.gz FNJQSKMYOZWQNY-HNNXBMFYSA-N 0 0 332.419 3.037 50 30 EGEARN C=CCn1c2ccc(C(=O)OC)cc2s/c1=N\C(=O)c1ccco1 ZINC000100874203 519261182 /nfs/dbraw/zinc/26/11/82/519261182.db2.gz KLLWPVIDHMACGB-ZCXUNETKSA-N 0 0 342.376 3.010 50 30 EGEARN CCOC(=O)/C(=C\c1ccccc1[N+](=O)[O-])C(=O)c1ccccc1 ZINC000005247265 520393602 /nfs/dbraw/zinc/39/36/02/520393602.db2.gz DWRIXGMCPXRTRU-QINSGFPZSA-N 0 0 325.320 3.424 50 30 EGEARN C=CCSc1nc2c(c(=O)[nH]1)[C@@H](c1cccc(C)c1F)CC(=O)N2 ZINC000670416181 548213434 /nfs/dbraw/zinc/21/34/34/548213434.db2.gz WNUOVVNGJPJAMH-LLVKDONJSA-N 0 0 345.399 3.382 50 30 EGEARN C=CCNC(=O)N1CC[C@@]2(C1)CCCN(CCC1CCCCC1)C2=O ZINC000011765983 1291128088 /nfs/dbraw/zinc/12/80/88/1291128088.db2.gz PVZCMCBIUHSJCV-HXUWFJFHSA-N 0 0 347.503 3.167 50 30 EGEARN C=CCC(O)(CC=C)CNC(=O)c1cc(C)nc2cc(OC)ccc21 ZINC000020819420 1291194488 /nfs/dbraw/zinc/19/44/88/1291194488.db2.gz SYXXDSDCZPGFJA-UHFFFAOYSA-N 0 0 340.423 3.165 50 30 EGEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1cccc(F)c1 ZINC000004719746 210258026 /nfs/dbraw/zinc/25/80/26/210258026.db2.gz DYURMMHZFXOREN-KRWDZBQOSA-N 0 0 329.371 3.357 50 30 EGEARN Cc1nc2scc(-c3ccccc3)c2c(=O)n1N=C1C=CC(=O)C=C1 ZINC000004866117 282138852 /nfs/dbraw/zinc/13/88/52/282138852.db2.gz GVMBIQWEOBIDNP-UHFFFAOYSA-N 0 0 347.399 3.333 50 30 EGEARN C=C(C)COc1ccccc1C(=O)N(CC)Cc1nnc(CC)o1 ZINC000055119207 214276120 /nfs/dbraw/zinc/27/61/20/214276120.db2.gz YYMPBEZHZDNGDP-UHFFFAOYSA-N 0 0 329.400 3.249 50 30 EGEARN COc1ccc(C(=O)C=CNc2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000004663145 210239963 /nfs/dbraw/zinc/23/99/63/210239963.db2.gz GDVQMLFODNNIPT-MDZDMXLPSA-N 0 0 328.324 3.421 50 30 EGEARN C=CCN1c2ccccc2N[C@@H]2[C@H]1[C@H](C(C)=O)C(=O)N2c1ccccc1 ZINC000004624361 210233602 /nfs/dbraw/zinc/23/36/02/210233602.db2.gz DDDSBDPXUPSYNO-ZCNNSNEGSA-N 0 0 347.418 3.051 50 30 EGEARN O=[N+]([O-])c1ccc(-c2csc(N=NCc3ccc(O)cc3)n2)cc1 ZINC000004599074 210230669 /nfs/dbraw/zinc/23/06/69/210230669.db2.gz WCYFRMYBGZEHNP-RQZCQDPDSA-N 0 0 340.364 3.292 50 30 EGEARN Cc1c(C(=O)NCc2cccnc2)oc2c1/C(=N\O)CC(C)(C)C2 ZINC000100931479 219112179 /nfs/dbraw/zinc/11/21/79/219112179.db2.gz DERCNGDWDXYRTD-BKUYFWCQSA-N 0 0 327.384 3.064 50 30 EGEARN COc1ccc(CNC(C)=C2C(=O)c3ccccc3C2=O)cc1OC ZINC000100936897 219112187 /nfs/dbraw/zinc/11/21/87/219112187.db2.gz WCQDTMPVWZTVMY-UHFFFAOYSA-N 0 0 337.375 3.147 50 30 EGEARN N=C(NOC(=O)c1ccccc1F)c1ccc(Br)cc1 ZINC000004170049 210138588 /nfs/dbraw/zinc/13/85/88/210138588.db2.gz QQIADKSSCPUIMA-UHFFFAOYSA-N 0 0 337.148 3.066 50 30 EGEARN Cc1csc(-c2c(O)cn(N=Cc3ccc(N(C)C)cc3)c2N)n1 ZINC000102733845 219226088 /nfs/dbraw/zinc/22/60/88/219226088.db2.gz MWFGUBWCJDBWSQ-RAQFCRNRSA-N 0 0 341.440 3.114 50 30 EGEARN COc1ccc(-c2cc(-c3cnn(C)c3C3CC3)c(C#N)c(N)n2)cc1 ZINC000067713576 215190801 /nfs/dbraw/zinc/19/08/01/215190801.db2.gz UFCLIQIVAPUXQO-UHFFFAOYSA-N 0 0 345.406 3.489 50 30 EGEARN COC(=O)[C@]12CC(C)(C)C[C@](C)(CC3=C1C(=O)/C(=N/N)C(C)(C)C3)C2 ZINC000103750345 219322946 /nfs/dbraw/zinc/32/29/46/219322946.db2.gz FEZZIAMQVRGBHX-KBDKOVNHSA-N 0 0 346.471 3.376 50 30 EGEARN COc1cc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc2c1OCO2 ZINC000035324875 213021859 /nfs/dbraw/zinc/02/18/59/213021859.db2.gz PNGRDCSCYSOHEZ-DUXPYHPUSA-N 0 0 326.304 3.049 50 30 EGEARN CCN(CC)c1ccc(/N=C/c2ccc(OCC(N)=O)cc2)cc1 ZINC000000361115 209550837 /nfs/dbraw/zinc/55/08/37/209550837.db2.gz ZFHVCWJKSNRJPT-FYJGNVAPSA-N 0 0 325.412 3.148 50 30 EGEARN Cc1cc(C)c(C#N)c(SCC(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000000075072 209403482 /nfs/dbraw/zinc/40/34/82/209403482.db2.gz JOKWNXADABKPAG-UHFFFAOYSA-N 0 0 327.365 3.453 50 30 EGEARN N#Cc1cccc(C(=O)NC[C@@H]2CCCN2c2nc3ccccc3o2)c1 ZINC000206770805 241052022 /nfs/dbraw/zinc/05/20/22/241052022.db2.gz JBCFYKZWOKNFAV-INIZCTEOSA-N 0 0 346.390 3.098 50 30 EGEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccncc1 ZINC000020560945 212147943 /nfs/dbraw/zinc/14/79/43/212147943.db2.gz UNBFDZJSHAWRKP-QGZVFWFLSA-N 0 0 326.396 3.003 50 30 EGEARN CC(=O)CSc1nc2c(c(-c3ccccc3)c1C#N)CN(C)CC2 ZINC000019889338 212079821 /nfs/dbraw/zinc/07/98/21/212079821.db2.gz AKIRJQPKRWOYLW-UHFFFAOYSA-N 0 0 337.448 3.289 50 30 EGEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccccc1OC ZINC000019638637 212052915 /nfs/dbraw/zinc/05/29/15/212052915.db2.gz XWCVJHIWWGHHJF-GOSISDBHSA-N 0 0 341.407 3.226 50 30 EGEARN CCc1c2c(N)c(C(=O)c3cccs3)sc2nc(N)c1C#N ZINC000019534946 212039690 /nfs/dbraw/zinc/03/96/90/212039690.db2.gz QUSZQSCNKKIYKJ-UHFFFAOYSA-N 0 0 328.422 3.187 50 30 EGEARN Cn1c(SCC(=O)Nc2ccc(C#N)cc2)nnc1-c1ccccc1 ZINC000015009365 211786321 /nfs/dbraw/zinc/78/63/21/211786321.db2.gz DUJYDWKQEIBQOY-UHFFFAOYSA-N 0 0 349.419 3.085 50 30 EGEARN N#Cc1cccc(N2CC[C@]3(C2)CCCN(C2CCCCC2)C3=O)n1 ZINC000091695179 218049973 /nfs/dbraw/zinc/04/99/73/218049973.db2.gz BHQHCCJAZWURCL-FQEVSTJZSA-N 0 0 338.455 3.105 50 30 EGEARN CCCn1cc(C(=O)N2CCC(C#N)(c3ccccc3)CC2)c(C)n1 ZINC000091793539 218068121 /nfs/dbraw/zinc/06/81/21/218068121.db2.gz ZXVDWXWMWWXPSI-UHFFFAOYSA-N 0 0 336.439 3.299 50 30 EGEARN N#Cc1ccnc(N2CC[C@]3(C2)CCCN(C2CCCCC2)C3=O)c1 ZINC000092080616 218117790 /nfs/dbraw/zinc/11/77/90/218117790.db2.gz HOSCKFRFNRLYKH-FQEVSTJZSA-N 0 0 338.455 3.105 50 30 EGEARN COc1ccccc1CC=CN=Nc1nn2cnnc2c2ccccc21 ZINC000009301473 211062814 /nfs/dbraw/zinc/06/28/14/211062814.db2.gz JGHVIHUDTRVHMK-HOGMWEGNSA-N 0 0 344.378 3.397 50 30 EGEARN CSc1nnc(C)n1/N=C/c1ccc(COc2ccccc2)o1 ZINC000008782494 211005905 /nfs/dbraw/zinc/00/59/05/211005905.db2.gz CEDOXXCTPHNKAA-LICLKQGHSA-N 0 0 328.397 3.363 50 30 EGEARN O=C1CCCC2=Nc3nc(C(F)(F)F)nn3[C@@H](c3cccs3)C12 ZINC000005240845 296317041 /nfs/dbraw/zinc/31/70/41/296317041.db2.gz PHHYBAWQJWJJSY-NSHDSACASA-N 0 0 340.330 3.380 50 30 EGEARN C/C(=N/NS(=O)(=O)c1ccc(CC(C)C)cc1)c1ccc(O)cc1 ZINC000006563891 210656153 /nfs/dbraw/zinc/65/61/53/210656153.db2.gz TUXXNBDRJUXGMS-RGEXLXHISA-N 0 0 346.452 3.293 50 30 EGEARN O=C1C[C@H](c2cc(Br)ccc2F)C2=C(CCCC2=O)N1 ZINC000001430817 296349461 /nfs/dbraw/zinc/34/94/61/296349461.db2.gz QQWPKJLOVPEESH-SNVBAGLBSA-N 0 0 338.176 3.199 50 30 EGEARN CC[C@@H]1S/C(=N/N=C(/C)c2ccc(Br)cc2)NC1=O ZINC000005061371 210379628 /nfs/dbraw/zinc/37/96/28/210379628.db2.gz CSCSIQBUYKBJIC-FSKGUYTJSA-N 0 0 340.246 3.171 50 30 EGEARN C=CCOC(=O)C1C(C)=NC(=S)N[C@@H]1c1ccc(C(C)C)cc1 ZINC000005012043 210360692 /nfs/dbraw/zinc/36/06/92/210360692.db2.gz NRTQYUICYSGNQR-MRXNPFEDSA-N 0 0 330.453 3.332 50 30 EGEARN CC1CCC(NC(=O)C(=O)Nc2sc3c(c2C#N)CCCC3)CC1 ZINC000004858192 210303395 /nfs/dbraw/zinc/30/33/95/210303395.db2.gz GLLIFEANBSATHM-UHFFFAOYSA-N 0 0 345.468 3.132 50 30 EGEARN C=CCOc1cccc(C(=O)N2CCN(c3ccccc3F)CC2)c1 ZINC000004865965 210306204 /nfs/dbraw/zinc/30/62/04/210306204.db2.gz FEZJNNVXWPHFQV-UHFFFAOYSA-N 0 0 340.398 3.353 50 30 EGEARN COc1cc(C#N)cc(Cl)c1OC(=O)c1cccc([N+](=O)[O-])c1 ZINC000004828303 210290230 /nfs/dbraw/zinc/29/02/30/210290230.db2.gz ZICIUOSNZWPIKO-UHFFFAOYSA-N 0 0 332.699 3.348 50 30 EGEARN CSc1ccc(C=NN2C(=S)N=NC2c2ccccn2)cc1 ZINC000006928757 257951063 /nfs/dbraw/zinc/95/10/63/257951063.db2.gz KQNQERBVVZYZER-LICLKQGHSA-N 0 0 327.438 3.233 50 30 EGEARN C=CCN(Cc1cccnc1)C(=O)[C@H](CC)Nc1cccc(OC)c1 ZINC000065382576 258012272 /nfs/dbraw/zinc/01/22/72/258012272.db2.gz CIJXWCQGAHQFNI-IBGZPJMESA-N 0 0 339.439 3.496 50 30 EGEARN C=CCN1CCN(C(=O)[C@@H](C)Oc2cc(Cl)ccc2Cl)CC1 ZINC000012380418 258017483 /nfs/dbraw/zinc/01/74/83/258017483.db2.gz FELIRJRJTQKFGQ-GFCCVEGCSA-N 0 0 343.254 3.091 50 30 EGEARN C=CCCC(=O)N1CCC[C@H](CNC(=O)c2ccccc2Cl)C1 ZINC000012031217 258018081 /nfs/dbraw/zinc/01/80/81/258018081.db2.gz DXOZJFJGHCYVBQ-CQSZACIVSA-N 0 0 334.847 3.275 50 30 EGEARN CCCN1c2ccccc2[C@](O)(CC(=O)C=Cc2ccccc2)C1=O ZINC000004554667 258051028 /nfs/dbraw/zinc/05/10/28/258051028.db2.gz XKXUSLXGMBSVQH-BIGNBACZSA-N 0 0 335.403 3.303 50 30 EGEARN CC(C)N1c2ccccc2[C@](O)(CC(=O)C=Cc2ccccc2)C1=O ZINC000004554693 258051069 /nfs/dbraw/zinc/05/10/69/258051069.db2.gz PZNFMZNHUXXDHA-JNCYCUAHSA-N 0 0 335.403 3.302 50 30 EGEARN CC(=O)C(=NNc1ccccc1[N+](=O)[O-])N1CCCc2ccccc21 ZINC000013144959 135699752 /nfs/dbraw/zinc/69/97/52/135699752.db2.gz ZKPLNXNSTQLOKD-ZZEZOPTASA-N 0 0 338.367 3.362 50 30 EGEARN C=CCN1C(=O)/C(=C2/C(=O)Nc3ccc(Cl)cc32)SC1=S ZINC000002904184 275426732 /nfs/dbraw/zinc/42/67/32/275426732.db2.gz XCXDHKTVCUUOPC-KHPPLWFESA-N 0 0 336.825 3.050 50 30 EGEARN C=CCNC(=O)c1sc2ncnc(N3CCCCCC3)c2c1C ZINC000014992537 275431876 /nfs/dbraw/zinc/43/18/76/275431876.db2.gz GSBXVJSLBNBEPO-UHFFFAOYSA-N 0 0 330.457 3.296 50 30 EGEARN CCc1nn2c(ncc(C#N)c2N)c1-c1ccc(Br)cc1 ZINC000009287623 276700762 /nfs/dbraw/zinc/70/07/62/276700762.db2.gz ARIUKGBQGSZYLX-UHFFFAOYSA-N 0 0 342.200 3.175 50 30 EGEARN Cc1cc(C)cc(N2CCc3nc(N)c(C#N)c(-c4c[nH]cn4)c3C2)c1 ZINC000072167298 280419579 /nfs/dbraw/zinc/41/95/79/280419579.db2.gz LZOUHTKVVCRPSK-UHFFFAOYSA-N 0 0 344.422 3.105 50 30 EGEARN N#Cc1nc(COc2ccc(Br)cc2)oc1N1CCCC1 ZINC000000200341 452533551 /nfs/dbraw/zinc/53/35/51/452533551.db2.gz OPDRHPOXBMWTHB-UHFFFAOYSA-N 0 0 348.200 3.488 50 30 EGEARN CCOC(=O)[C@@H](C#N)[C@@]1(c2ccccc2OC)CCOC(C)(C)C1 ZINC000000206895 452534603 /nfs/dbraw/zinc/53/46/03/452534603.db2.gz JKYAQPBLKAVSMJ-BEFAXECRSA-N 0 0 331.412 3.225 50 30 EGEARN C=C(C)COc1cc2oc(=O)c(CC(=O)OC)c(C)c2cc1Cl ZINC000000489173 452605809 /nfs/dbraw/zinc/60/58/09/452605809.db2.gz VUGRQLUFSPAQIS-UHFFFAOYSA-N 0 0 336.771 3.425 50 30 biogenic EGEARN COC(=O)c1sc(NC(=O)c2c(F)cccc2F)c(C#N)c1C ZINC000001056212 452642985 /nfs/dbraw/zinc/64/29/85/452642985.db2.gz OXZICVSVMBSUGV-UHFFFAOYSA-N 0 0 336.319 3.245 50 30 EGEARN C#CCN1C(=O)S/C(=C/c2cc(C)n(-c3cccnc3)c2C)C1=O ZINC000001149378 452647477 /nfs/dbraw/zinc/64/74/77/452647477.db2.gz ACLCYWLQMVIFEV-MHWRWJLKSA-N 0 0 337.404 3.159 50 30 EGEARN COc1ccc(C2N=NC(=S)N2N=Cc2ccc(C)s2)cc1 ZINC000001300165 452652524 /nfs/dbraw/zinc/65/25/24/452652524.db2.gz CATSYAPQYAXXMN-CXUHLZMHSA-N 0 0 330.438 3.495 50 30 EGEARN Cn1nc(C(F)(F)F)c(/C=N/OC(=O)c2ccccc2)c1Cl ZINC000001391144 452658944 /nfs/dbraw/zinc/65/89/44/452658944.db2.gz MAEYWQBMVWMZJZ-CNHKJKLMSA-N 0 0 331.681 3.283 50 30 EGEARN CCCN(CCC)S(=O)(=O)c1nc(C)c(Cl)c(C)c1C#N ZINC000001446064 452666020 /nfs/dbraw/zinc/66/60/20/452666020.db2.gz ILLWUYGWDKQXIL-UHFFFAOYSA-N 0 0 329.853 3.034 50 30 EGEARN C=CCn1c(N)c(C(=O)NCCCCC)c2nc3ccccc3nc21 ZINC000002245797 452690156 /nfs/dbraw/zinc/69/01/56/452690156.db2.gz MTXQNTCXQSVDTQ-UHFFFAOYSA-N 0 0 337.427 3.273 50 30 EGEARN COc1ccc(CN2C(=O)CS/C2=N/N=C/c2cccs2)cc1 ZINC000002324316 452692156 /nfs/dbraw/zinc/69/21/56/452692156.db2.gz CMCDKTVQCJHNCD-APBNWAIRSA-N 0 0 345.449 3.222 50 30 EGEARN CCc1c(C)sc(NC(=O)COc2ccccc2[N+](=O)[O-])c1C#N ZINC000002753903 452720146 /nfs/dbraw/zinc/72/01/46/452720146.db2.gz JZZLWMCNYZNUJO-UHFFFAOYSA-N 0 0 345.380 3.416 50 30 EGEARN C[C@@](O)(C#C[C@@](O)(c1ccccc1)C(F)(F)F)c1ccc(F)cc1 ZINC000004334549 452799567 /nfs/dbraw/zinc/79/95/67/452799567.db2.gz DZVAPKOQXBBGKD-IAGOWNOFSA-N 0 0 338.300 3.487 50 30 EGEARN CC(C)(C)Nc1nc(N=NCc2cccnc2)nc(NC(C)(C)C)n1 ZINC000004592265 452809644 /nfs/dbraw/zinc/80/96/44/452809644.db2.gz IIYBFDYZYZDTPY-YBFXNURJSA-N 0 0 342.451 3.133 50 30 EGEARN O=C1CCCC2=Nc3nc(C(F)(F)F)nn3[C@H](c3cccs3)C12 ZINC000005240835 452850580 /nfs/dbraw/zinc/85/05/80/452850580.db2.gz PHHYBAWQJWJJSY-LLVKDONJSA-N 0 0 340.330 3.380 50 30 EGEARN N#Cc1ccc(C(=O)N2CCN(c3ccccc3Cl)CC2)cc1 ZINC000005392454 452867234 /nfs/dbraw/zinc/86/72/34/452867234.db2.gz GLWKKWJKHFBKJR-UHFFFAOYSA-N 0 0 325.799 3.174 50 30 EGEARN CO/N=C/C(C(=O)Nc1cccc(C)c1)C(=O)Nc1cccc(C)c1 ZINC000005418587 452871827 /nfs/dbraw/zinc/87/18/27/452871827.db2.gz PPVKCVLCEDLRBD-UDWIEESQSA-N 0 0 339.395 3.129 50 30 EGEARN COc1ccc(S(=O)(=O)N/N=C(\C)c2ccc(Cl)cc2)cc1 ZINC000005621259 452888844 /nfs/dbraw/zinc/88/88/44/452888844.db2.gz YPMKTVSMBAIMGE-GZTJUZNOSA-N 0 0 338.816 3.051 50 30 EGEARN O=[N+]([O-])c1ccccc1C=NN1C(=S)N=NC1c1ccc(F)cc1 ZINC000005998093 452916146 /nfs/dbraw/zinc/91/61/46/452916146.db2.gz DZFGZRVSXFOQGX-RQZCQDPDSA-N 0 0 343.343 3.163 50 30 EGEARN CC(O)=C1C(=O)C(=O)N(c2ccc(O)cc2)[C@@H]1c1ccccc1F ZINC000006692775 452968760 /nfs/dbraw/zinc/96/87/60/452968760.db2.gz CUSUMEOSPXIFFB-MRXNPFEDSA-N 0 0 327.311 3.020 50 30 EGEARN C=CCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@H]1c1ccc(O)cc1 ZINC000006744564 452979921 /nfs/dbraw/zinc/97/99/21/452979921.db2.gz ZIJFYUMOHSBXJL-LJQANCHMSA-N 0 0 347.374 3.219 50 30 EGEARN C=C(C)COc1ccc2c(C)c(CCC(=O)NC3CC3)c(=O)oc2c1 ZINC000006759006 452983899 /nfs/dbraw/zinc/98/38/99/452983899.db2.gz LGBXMQDBZATASR-UHFFFAOYSA-N 0 0 341.407 3.268 50 30 EGEARN C=CCNC(=O)c1ccccc1NC(=O)c1ccc(Br)o1 ZINC000008554505 453215629 /nfs/dbraw/zinc/21/56/29/453215629.db2.gz FWDGVRANBQVOTL-UHFFFAOYSA-N 0 0 349.184 3.210 50 30 EGEARN Cc1c(/N=C/c2nc3ccccc3n2C)c(=O)n(-c2ccccc2)n1C ZINC000013111995 453445615 /nfs/dbraw/zinc/44/56/15/453445615.db2.gz XXRGTECJVWBBBM-FYJGNVAPSA-N 0 0 345.406 3.122 50 30 EGEARN COc1ccc(N2CC(=O)C(c3nc(C)c(C)s3)=C2N)cc1Cl ZINC000013726002 453484092 /nfs/dbraw/zinc/48/40/92/453484092.db2.gz LTVOSYDFSDMELC-UHFFFAOYSA-N 0 0 349.843 3.139 50 30 EGEARN CCOc1ccc(/C=N\N2CCN(c3ccccc3OC)CC2)cc1 ZINC000015685163 453583299 /nfs/dbraw/zinc/58/32/99/453583299.db2.gz FRJFTKDLHMHBOO-PGMHBOJBSA-N 0 0 339.439 3.250 50 30 EGEARN CO/C(=N\C(=N\S(=O)(=O)c1ccccc1)c1ccccc1)SC ZINC000015922327 453589732 /nfs/dbraw/zinc/58/97/32/453589732.db2.gz AIZYONHKCAFZQF-UNXSSPOQSA-N 0 0 348.449 3.188 50 30 EGEARN CC(C)OP(=O)(OC(C)C)/C(N)=N/Nc1ccc([N+](=O)[O-])cc1 ZINC000017218318 453631127 /nfs/dbraw/zinc/63/11/27/453631127.db2.gz KLZIGZPOZJXGHZ-UHFFFAOYSA-N 0 0 344.308 3.280 50 30 EGEARN CC1(C)CC(=O)C2=C(C1)Nc1[nH][nH]c(=O)c1[C@H]2c1nc2ccccc2[nH]1 ZINC000018195629 453647922 /nfs/dbraw/zinc/64/79/22/453647922.db2.gz FOMBPNJUOVFZHP-AWEZNQCLSA-N 0 0 349.394 3.192 50 30 EGEARN Cc1cccc(C[C@@H]2S/C(=N\N=C\c3ccccc3F)NC2=O)c1 ZINC000018209384 453648370 /nfs/dbraw/zinc/64/83/70/453648370.db2.gz NXPZKOGKJUYCBP-YODDIOPGSA-N 0 0 341.411 3.298 50 30 EGEARN COc1ccc(CCNc2oc(CC(C)C)nc2C#N)cc1OC ZINC000028628013 453824101 /nfs/dbraw/zinc/82/41/01/453824101.db2.gz WANWCBKVFSQWGJ-UHFFFAOYSA-N 0 0 329.400 3.417 50 30 EGEARN COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc2[nH]ccc2c1 ZINC000032073175 453863007 /nfs/dbraw/zinc/86/30/07/453863007.db2.gz CROYPWBRXLWGEJ-GOSISDBHSA-N 0 0 336.391 3.309 50 30 EGEARN Cc1ccc(CN2CCN(/N=C/c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000033314795 453913766 /nfs/dbraw/zinc/91/37/66/453913766.db2.gz LVTSHKAPFSMDRC-XSFVSMFZSA-N 0 0 338.411 3.055 50 30 EGEARN C/C(=N\N1CCN(Cc2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000033314140 453914217 /nfs/dbraw/zinc/91/42/17/453914217.db2.gz XFNIWBVNLOBNQR-CAPFRKAQSA-N 0 0 338.411 3.137 50 30 EGEARN C=CCN1C(=O)/C(=C/c2cc(Cl)cc(OC)c2O)SC1=S ZINC000033399278 453915050 /nfs/dbraw/zinc/91/50/50/453915050.db2.gz COJCGXMRZNTGPK-WDZFZDKYSA-N 0 0 341.841 3.441 50 30 EGEARN CCCn1cc(-c2cc(-c3ccc(O)cc3)c(C#N)c(N)n2)c(C)n1 ZINC000071764260 454216493 /nfs/dbraw/zinc/21/64/93/454216493.db2.gz SWDSBKBGOFPAPL-UHFFFAOYSA-N 0 0 333.395 3.490 50 30 EGEARN N#Cc1cccc(C(=O)N2CCC[C@H](c3nccn3CC3CC3)C2)c1 ZINC000095506057 454224261 /nfs/dbraw/zinc/22/42/61/454224261.db2.gz IHQVWUNOBJWQFT-SFHVURJKSA-N 0 0 334.423 3.185 50 30 EGEARN C=CCn1c2c(cccc2C)s/c1=N\C(=O)c1ccc([N+](=O)[O-])o1 ZINC000100909678 454468411 /nfs/dbraw/zinc/46/84/11/454468411.db2.gz NDJLHRAWRWNVRQ-MSUUIHNZSA-N 0 0 343.364 3.440 50 30 EGEARN N#Cc1nc(-c2ccccc2)oc1S(=O)(=O)Cc1ccccc1F ZINC000170623806 454943972 /nfs/dbraw/zinc/94/39/72/454943972.db2.gz QJOVLCCACRATNE-UHFFFAOYSA-N 0 0 342.351 3.326 50 30 EGEARN O=C(CC1=C(c2ccccc2)CCC1=O)N1CC(c2ccncc2)C1 ZINC000426649486 457871803 /nfs/dbraw/zinc/87/18/03/457871803.db2.gz DQNBFJREEAWLLF-UHFFFAOYSA-N 0 0 332.403 3.214 50 30 EGEARN N#CC1(c2ccccc2)CCN(C(=O)NCCCc2ccco2)CC1 ZINC000534633046 459339430 /nfs/dbraw/zinc/33/94/30/459339430.db2.gz SFPFJIXGMINZOY-UHFFFAOYSA-N 0 0 337.423 3.479 50 30 EGEARN C=CCn1c(CN(C)C/C(C)=C/C)nnc1SC[C@H]1CCCO1 ZINC000014999676 519177233 /nfs/dbraw/zinc/17/72/33/519177233.db2.gz ZJSOBHLUMIKGQT-SXSSENBOSA-N 0 0 336.505 3.133 50 30 EGEARN COc1cc(/C=N\n2c(C)nnc2C)ccc1OCc1ccccc1 ZINC000005033809 522009597 /nfs/dbraw/zinc/00/95/97/522009597.db2.gz NTVAEUSNLIFXPI-NDENLUEZSA-N 0 0 336.395 3.365 50 30 EGEARN COc1ccc(/C=C/C(=O)c2ccc3c(c2)OCCO3)c(OC)c1 ZINC000004832377 523403513 /nfs/dbraw/zinc/40/35/13/523403513.db2.gz ISZFTOOQHDANME-QPJJXVBHSA-N 0 0 326.348 3.371 50 30 EGEARN Cc1cccc(COc2ccc(C=NNc3nc(O)cs3)cc2)c1 ZINC000013942795 524445767 /nfs/dbraw/zinc/44/57/67/524445767.db2.gz RVEBXWWXBZNFBC-VXLYETTFSA-N 0 0 339.420 3.127 50 30 EGEARN Cc1ccccc1C(=N)NOC(=O)COc1cccc2ccccc21 ZINC000004685148 525036716 /nfs/dbraw/zinc/03/67/16/525036716.db2.gz FQWBGPOYEIQXMT-UHFFFAOYSA-N 0 0 334.375 3.391 50 30 EGEARN CCNC(=S)N(C)/N=C(\C(=O)c1ccccc1)c1ccccc1 ZINC000670421240 548214467 /nfs/dbraw/zinc/21/44/67/548214467.db2.gz SYHHEBSTEWHFHY-SILNSSARSA-N 0 0 325.437 3.100 50 30 EGEARN C#CCSc1nnc2c3cc(Br)ccc3n(C)c2n1 ZINC000820375212 1319879344 /nfs/dbraw/zinc/87/93/44/1319879344.db2.gz MGPZKCYTSUZTLF-UHFFFAOYSA-N 0 0 333.214 3.004 50 30 EGEARN CC(C)(O)C#Cc1ccc(C(=O)N2CC3C[C@@H]4CC2C[C@H](C3)C4)o1 ZINC000952980792 1334629131 /nfs/dbraw/zinc/62/91/31/1334629131.db2.gz IKHMAIJBSWPMEE-PJPHBNEVSA-N 0 0 327.424 3.053 50 30 EGEARN N#Cc1ccccc1C(=O)N1CCC2(CC1)OCCc1ccsc12 ZINC001704342007 1416449528 /nfs/dbraw/zinc/44/95/28/1416449528.db2.gz BIWFEKRYESMWQW-UHFFFAOYSA-N 0 0 338.432 3.324 50 30 EGEARN C=CCNC(=O)C[C@@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000004714992 210258156 /nfs/dbraw/zinc/25/81/56/210258156.db2.gz UHSWIIGUADXLPI-LLVKDONJSA-N 0 0 339.233 3.106 50 30 EGEARN C=CCn1cc(CN(CCO)Cc2ccc(SC)cc2)c(C)n1 ZINC000055575430 214330416 /nfs/dbraw/zinc/33/04/16/214330416.db2.gz VFNQZNJSLIYCIZ-UHFFFAOYSA-N 0 0 331.485 3.094 50 30 EGEARN C=CCN1C(=O)S/C(=C/c2ccc(O)c(Br)c2)C1=O ZINC000004679669 210244843 /nfs/dbraw/zinc/24/48/43/210244843.db2.gz NSLFPTGBNDVPHQ-YRNVUSSQSA-N 0 0 340.198 3.377 50 30 EGEARN Cc1nn(C)c(C)c1C(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000002781779 282258077 /nfs/dbraw/zinc/25/80/77/282258077.db2.gz BBBUOUFJLBFUPK-SECBINFHSA-N 0 0 328.441 3.347 50 30 EGEARN O=C1C[C@H](c2cccc(O)c2)C2=C(C[C@H](c3cccs3)CC2=O)N1 ZINC000004520710 210212894 /nfs/dbraw/zinc/21/28/94/210212894.db2.gz POCQRVFBQCBVFQ-GXTWGEPZSA-N 0 0 339.416 3.458 50 30 EGEARN CCOc1ccc([C@H]2CC(=O)NC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000004488876 210202607 /nfs/dbraw/zinc/20/26/07/210202607.db2.gz DGRVWFINJPXHMW-CYBMUJFWSA-N 0 0 343.423 3.341 50 30 EGEARN COc1ccc(C2CC(=O)C(=CNCc3ccccc3)C(=O)C2)cc1 ZINC000100424082 219098926 /nfs/dbraw/zinc/09/89/26/219098926.db2.gz INGROTHXECWDSG-UHFFFAOYSA-N 0 0 335.403 3.385 50 30 EGEARN Cc1sc(NC(=O)CCn2c3ccccc3oc2=O)c(C#N)c1C ZINC000004487924 210200825 /nfs/dbraw/zinc/20/08/25/210200825.db2.gz BTZSYPKWWUFVGG-UHFFFAOYSA-N 0 0 341.392 3.173 50 30 EGEARN CCN(CC)/C(=N\S(=O)(=O)c1ccc(C)cc1)c1ccccc1 ZINC000100607161 219102944 /nfs/dbraw/zinc/10/29/44/219102944.db2.gz QTMKLFSJAVHCMP-HNENSFHCSA-N 0 0 330.453 3.472 50 30 EGEARN O=C(ON1C(=O)c2cccc3cccc(c32)C1=O)c1ccccc1F ZINC000003646876 210070950 /nfs/dbraw/zinc/07/09/50/210070950.db2.gz GUAPTMHWYIOJQI-UHFFFAOYSA-N 0 0 335.290 3.347 50 30 EGEARN N#CCCn1cc(C(=O)Nc2nccs2)c(-c2cccs2)n1 ZINC000003410491 210030815 /nfs/dbraw/zinc/03/08/15/210030815.db2.gz KWINBCRVDRRSNS-UHFFFAOYSA-N 0 0 329.410 3.234 50 30 EGEARN N#Cc1cccnc1N1CCC(CO)(Cc2ccc(Cl)cc2)CC1 ZINC000067946487 215255307 /nfs/dbraw/zinc/25/53/07/215255307.db2.gz DEUIRIVWOOBMEX-UHFFFAOYSA-N 0 0 341.842 3.428 50 30 EGEARN O=c1c(C=[NH+]C2CC2)c(-c2ccccc2)[n-]n1-c1ccc([N+](=O)[O-])cc1 ZINC000103782475 219325198 /nfs/dbraw/zinc/32/51/98/219325198.db2.gz QMMAVBRYARYBAA-UDWIEESQSA-N 0 0 348.362 3.322 50 30 EGEARN C=CCNC(=O)COc1ccc(C(C)(C)C)cc1Br ZINC000002179572 209827972 /nfs/dbraw/zinc/82/79/72/209827972.db2.gz VCEKEHFMERWIGC-UHFFFAOYSA-N 0 0 326.234 3.428 50 30 EGEARN C=CCOc1ccc(C(=O)N[C@H](C)[C@H]2COc3ccccc3O2)cc1 ZINC000002090204 209819100 /nfs/dbraw/zinc/81/91/00/209819100.db2.gz MSNMEVMJLUCFLP-AUUYWEPGSA-N 0 0 339.391 3.210 50 30 biogenic EGEARN CN(C)N1C(=O)C[C@H](c2cccc(F)c2)C2=C1CC(C)(C)CC2=O ZINC000001429510 209748084 /nfs/dbraw/zinc/74/80/84/209748084.db2.gz PIAJHIYCWGIRCX-CQSZACIVSA-N 0 0 330.403 3.261 50 30 EGEARN COc1ccc(-n2c(SCC#N)nc3ccsc3c2=O)cc1 ZINC000032105207 212789810 /nfs/dbraw/zinc/78/98/10/212789810.db2.gz VEGOAYFIBQEJCO-UHFFFAOYSA-N 0 0 329.406 3.071 50 30 EGEARN CCc1cc(N2CCC(C#N)(c3ccccc3)CC2)n2nccc2n1 ZINC000072146914 216033624 /nfs/dbraw/zinc/03/36/24/216033624.db2.gz MFQWFHQTBICSJS-UHFFFAOYSA-N 0 0 331.423 3.353 50 30 EGEARN C=CCOc1cc(C(=O)NCc2c(C)nn(C)c2C)cc2occc21 ZINC000072240216 216079712 /nfs/dbraw/zinc/07/97/12/216079712.db2.gz INMHQJWSCNRCOS-UHFFFAOYSA-N 0 0 339.395 3.278 50 30 EGEARN N#Cc1ccc(Cn2cnc3ccc(Br)cc3c2=O)cc1 ZINC000000388866 209565645 /nfs/dbraw/zinc/56/56/45/209565645.db2.gz IDTZIEASAICZQL-UHFFFAOYSA-N 0 0 340.180 3.079 50 30 EGEARN Cc1ccc(OCc2nc(C#N)c(N3C[C@@H](C)O[C@H](C)C3)o2)cc1 ZINC000000108682 209426422 /nfs/dbraw/zinc/42/64/22/209426422.db2.gz STCVSAJKSOLTLV-ZIAGYGMSSA-N 0 0 327.384 3.047 50 30 EGEARN C=CCn1c2ccccc2n(C[C@H](O)c2ccc(OCC)cc2)c1=N ZINC000019854822 212076308 /nfs/dbraw/zinc/07/63/08/212076308.db2.gz DERGUDDBYPWAJK-IBGZPJMESA-N 0 0 337.423 3.241 50 30 EGEARN CCOc1ccc(NC(=NC(=O)CC)Nc2nc(C)cc(C)n2)cc1 ZINC000018275836 211993423 /nfs/dbraw/zinc/99/34/23/211993423.db2.gz XKKOQVLDGBQQIA-UHFFFAOYSA-N 0 0 341.415 3.309 50 30 EGEARN O=C(Nc1ccc(F)cc1)[C@H]1CC(=O)N/C(=N\c2ccccc2)S1 ZINC000013552690 284306378 /nfs/dbraw/zinc/30/63/78/284306378.db2.gz VMCBSUJRIDQQNW-CQSZACIVSA-N 0 0 343.383 3.074 50 30 EGEARN C=CCc1cc(C(=O)NCc2nc(-c3ccccc3)no2)ccc1OC ZINC000078579433 217079097 /nfs/dbraw/zinc/07/90/97/217079097.db2.gz PHMCJWPQJABEHM-UHFFFAOYSA-N 0 0 349.390 3.404 50 30 EGEARN CC[C@@H]1S/C(=N/N=C(\C)c2ccc(Br)cc2)NC1=O ZINC000012419076 211375188 /nfs/dbraw/zinc/37/51/88/211375188.db2.gz CSCSIQBUYKBJIC-AXLKIAQESA-N 0 0 340.246 3.171 50 30 EGEARN COCc1cc(C)nc(SCC(=O)N2C[C@@H](C)C[C@H](C)C2)c1C#N ZINC000010231432 211156121 /nfs/dbraw/zinc/15/61/21/211156121.db2.gz CPJHTNHRWKQNCZ-STQMWFEESA-N 0 0 347.484 3.005 50 30 EGEARN O=C1c2ccccc2O[C@](O)(C(F)(F)F)C1=CNCc1ccccc1 ZINC000009059652 285025407 /nfs/dbraw/zinc/02/54/07/285025407.db2.gz IBGVCTQRJMPTJJ-WKOYGUFESA-N 0 0 349.308 3.186 50 30 EGEARN CC(=O)C1=C(O)C(=O)N(CCc2ccccc2)[C@@H]1c1cccc(F)c1 ZINC000004870979 210310535 /nfs/dbraw/zinc/31/05/35/210310535.db2.gz QSYYCZZOFYLRLY-GOSISDBHSA-N 0 0 339.366 3.353 50 30 EGEARN C=CCN1C(=S)N=NC1COc1ccc(Br)cc1 ZINC000002536737 258047047 /nfs/dbraw/zinc/04/70/47/258047047.db2.gz XBGQDDPNLHZYMR-UHFFFAOYSA-N 0 0 326.219 3.094 50 30 EGEARN C=CCN(Cc1ccco1)C(=O)CC(=O)Nc1ccccc1OCC ZINC000065418707 258011861 /nfs/dbraw/zinc/01/18/61/258011861.db2.gz IJXGEBLZSMDCNQ-UHFFFAOYSA-N 0 0 342.395 3.222 50 30 EGEARN C=C(C)COc1ccc(C(=O)NCCc2cn3ccccc3n2)cc1 ZINC000055053095 258015005 /nfs/dbraw/zinc/01/50/05/258015005.db2.gz MUSBNIVMDVBSIS-UHFFFAOYSA-N 0 0 335.407 3.262 50 30 EGEARN CCOc1cc(-c2c(C)c(-c3cnn(C)c3)nc(N)c2C#N)ccc1O ZINC000071774785 258063985 /nfs/dbraw/zinc/06/39/85/258063985.db2.gz AMNOSQUKVSJFEG-UHFFFAOYSA-N 0 0 349.394 3.016 50 30 EGEARN c1ccc2sc(NC3=NCN(C4CCCCCC4)CN3)nc2c1 ZINC000017016458 285533580 /nfs/dbraw/zinc/53/35/80/285533580.db2.gz NAKPTCJEUFGRFS-UHFFFAOYSA-N 0 0 329.473 3.416 50 30 EGEARN COc1ccc([C@@H]2NC3=C(CCCC3)C(C#N)(C#N)C2(C#N)C#N)cc1 ZINC000000537498 286364947 /nfs/dbraw/zinc/36/49/47/286364947.db2.gz TZHQIPKHYTZMJO-SFHVURJKSA-N 0 0 343.390 3.235 50 30 EGEARN CCCCCCCCOC(=O)CSc1nc(N)c(C#N)cc1C#N ZINC000053277358 264930744 /nfs/dbraw/zinc/93/07/44/264930744.db2.gz NWCVPVYGWSVXOI-UHFFFAOYSA-N 0 0 346.456 3.403 50 30 EGEARN CN1/C(=C\c2c[nH]c3ccccc23)C(=O)c2ccccc2S1(=O)=O ZINC000009048284 277005218 /nfs/dbraw/zinc/00/52/18/277005218.db2.gz XSGRPNFQZWDRAQ-YBEGLDIGSA-N 0 0 338.388 3.026 50 30 EGEARN C=CCNC(=O)Cc1c(C)n(CC(C)C)c2c1C(=O)CC(C)(C)C2 ZINC000012073494 277863760 /nfs/dbraw/zinc/86/37/60/277863760.db2.gz BFMTYSRFJAXHMQ-UHFFFAOYSA-N 0 0 330.472 3.452 50 30 EGEARN CC1(C)CC(=O)C2=C(C1)Nc1cc3c(cc1[C@H]2c1ncc[nH]1)OCO3 ZINC000018197401 278184440 /nfs/dbraw/zinc/18/44/40/278184440.db2.gz QLHLERFSRHHDHH-MRXNPFEDSA-N 0 0 337.379 3.339 50 30 EGEARN Cc1ccc(-c2csc3ncnc(-n4ncc(C#N)c4N)c23)cc1 ZINC000036646080 280720905 /nfs/dbraw/zinc/72/09/05/280720905.db2.gz LZHQVDSDDKUEIF-UHFFFAOYSA-N 0 0 332.392 3.306 50 30 EGEARN COc1cc([C@@H]2c3c(C)noc3NC3=C2C(=O)CCC3)ccc1O ZINC000013689864 295021419 /nfs/dbraw/zinc/02/14/19/295021419.db2.gz CUVVQDLJPGQKGB-MRXNPFEDSA-N 0 0 326.352 3.262 50 30 EGEARN COc1ccc([C@@H]2Nc3nonc3N=C3CC(C)(C)CC(=O)C32)cc1 ZINC000012408711 295228331 /nfs/dbraw/zinc/22/83/31/295228331.db2.gz IMJBNIWEJHIGLE-HNNXBMFYSA-N 0 0 340.383 3.300 50 30 EGEARN CC(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc(Cl)cc1 ZINC000000078192 452500657 /nfs/dbraw/zinc/50/06/57/452500657.db2.gz JTZWGHIBHXKDAG-INIZCTEOSA-N 0 0 342.782 3.220 50 30 EGEARN N#Cc1c2nc3ccccc3n2c(N)c(C#N)c1-c1ccc(O)cc1 ZINC000000084095 452502652 /nfs/dbraw/zinc/50/26/52/452502652.db2.gz DMVRZVGBLGRJRA-UHFFFAOYSA-N 0 0 325.331 3.186 50 30 EGEARN COc1ccc2[nH]c3c(nc(C)n(/N=C/c4ccccc4)c3=O)c2c1 ZINC000000325925 452564302 /nfs/dbraw/zinc/56/43/02/452564302.db2.gz VEOZLAOZOTXBNO-RGVLZGJSSA-N 0 0 332.363 3.077 50 30 EGEARN N#Cc1ccc(-c2ccc(F)cc2)nc1SCC(=O)NC1CC1 ZINC000000377174 452574293 /nfs/dbraw/zinc/57/42/93/452574293.db2.gz PHQNTJJFDCLCMF-UHFFFAOYSA-N 0 0 327.384 3.130 50 30 EGEARN COC(=O)c1ccc2c(c1)C(=O)/C(=C\c1cc(OC)ccc1OC)O2 ZINC000000429870 452591384 /nfs/dbraw/zinc/59/13/84/452591384.db2.gz DHHLOJRSHFEAAG-LICLKQGHSA-N 0 0 340.331 3.107 50 30 EGEARN COc1cc(/C=N/N2C(=O)c3cccc4cccc(c43)C2=O)ccc1O ZINC000000446468 452592349 /nfs/dbraw/zinc/59/23/49/452592349.db2.gz MDBLIIGUWWAPNX-SRZZPIQSSA-N 0 0 346.342 3.184 50 30 EGEARN Cc1c(C#N)c2ncn(Cc3ccccc3)c(=O)c2n1-c1ccccc1 ZINC000000448053 452594993 /nfs/dbraw/zinc/59/49/93/452594993.db2.gz PVIABTJIOOAOEW-UHFFFAOYSA-N 0 0 340.386 3.416 50 30 EGEARN CCOc1cc(C=C2C(=O)c3ccccc3C2=O)ccc1OC(C)=O ZINC000000464245 452600377 /nfs/dbraw/zinc/60/03/77/452600377.db2.gz MBHYJHHPWRKJAM-UHFFFAOYSA-N 0 0 336.343 3.473 50 30 EGEARN C=CCc1c(C)c(C#N)c2nc3ccccc3n2c1NCC[NH+](C)C ZINC000000541536 452618689 /nfs/dbraw/zinc/61/86/89/452618689.db2.gz KJTABBACNPGWOT-UHFFFAOYSA-N 0 0 333.439 3.370 50 30 EGEARN N#C[C@@]1(Nc2cccc(Br)c2)C(=O)Nc2ccccc21 ZINC000000549431 452621207 /nfs/dbraw/zinc/62/12/07/452621207.db2.gz KWLLOZQKTMTYOZ-HNNXBMFYSA-N 0 0 328.169 3.232 50 30 EGEARN C#CCN1C(=O)S/C(=C/c2cc(Cl)c(OC)c(OC)c2)C1=O ZINC000000980217 452639950 /nfs/dbraw/zinc/63/99/50/452639950.db2.gz FHWNUALUPFNVCI-XYOKQWHBSA-N 0 0 337.784 3.027 50 30 EGEARN COc1ccc(C(=O)Nc2sc(C)c(C)c2C#N)cc1[N+](=O)[O-] ZINC000001054860 452643347 /nfs/dbraw/zinc/64/33/47/452643347.db2.gz PVJZCPQWPLYEDD-UHFFFAOYSA-N 0 0 331.353 3.406 50 30 EGEARN Cc1cc(C)c(C#N)c(SCC(=O)N(C)Cc2ccccc2)n1 ZINC000001422524 452664435 /nfs/dbraw/zinc/66/44/35/452664435.db2.gz RVZKKXIICVTQBJ-UHFFFAOYSA-N 0 0 325.437 3.321 50 30 EGEARN Cc1cc(C)c(C#N)c(SCC(=O)Nc2ccc3c(c2)OCO3)n1 ZINC000001466040 452665090 /nfs/dbraw/zinc/66/50/90/452665090.db2.gz FWGGPUIEAQRLDJ-UHFFFAOYSA-N 0 0 341.392 3.030 50 30 EGEARN C=CCOc1ccc(C(=O)N[C@@H](C)[C@H]2COc3ccccc3O2)cc1 ZINC000002090202 452686599 /nfs/dbraw/zinc/68/65/99/452686599.db2.gz MSNMEVMJLUCFLP-IFXJQAMLSA-N 0 0 339.391 3.210 50 30 biogenic EGEARN Cc1ccc(S(=O)(=O)N2CCC(C#N)(c3ccccc3)CC2)cc1 ZINC000002565328 452703687 /nfs/dbraw/zinc/70/36/87/452703687.db2.gz RQTVIKMRXYJTDX-UHFFFAOYSA-N 0 0 340.448 3.241 50 30 EGEARN CCOC(=O)c1cc(C(=O)c2ccc(OC)cc2)n2cccc(C#N)c12 ZINC000002529493 452704630 /nfs/dbraw/zinc/70/46/30/452704630.db2.gz HBWBLNDQNMOFCU-UHFFFAOYSA-N 0 0 348.358 3.227 50 30 EGEARN Cc1nc2n(n1)[C@@H](c1cc(F)cc(F)c1)C1C(=O)C[C@H](C)CC1=N2 ZINC000004488254 452805156 /nfs/dbraw/zinc/80/51/56/452805156.db2.gz MYIJKDQIDFCTBY-BCTVWOGZSA-N 0 0 330.338 3.133 50 30 EGEARN Cc1ccc(Cl)cc1N1CC(=O)C(c2nc3ccccc3[nH]2)=C1N ZINC000005009264 452832752 /nfs/dbraw/zinc/83/27/52/452832752.db2.gz WFRABNLNMCDNCT-UHFFFAOYSA-N 0 0 338.798 3.241 50 30 EGEARN C=CCNC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccco1)N2 ZINC000005043594 452834544 /nfs/dbraw/zinc/83/45/44/452834544.db2.gz OZNIKQGFKQLHMX-BXKDBHETSA-N 0 0 340.305 3.052 50 30 EGEARN O=C(Nc1ccccc1[N+](=O)[O-])C(F)(F)C(F)(F)C(F)(F)F ZINC000005679632 452894258 /nfs/dbraw/zinc/89/42/58/452894258.db2.gz QPHWRPQUQFDFFA-UHFFFAOYSA-N 0 0 334.147 3.366 50 30 EGEARN COc1ccc(S(=O)(=O)O/N=C2\CCCc3ccccc32)cc1 ZINC000005744838 452899906 /nfs/dbraw/zinc/89/99/06/452899906.db2.gz MNNUHJVFCRWHII-ISLYRVAYSA-N 0 0 331.393 3.141 50 30 EGEARN COc1ccc([C@@H]2NC(=O)C(O)=C2C(=O)c2ccc(Cl)cc2)cc1 ZINC000006493626 452947532 /nfs/dbraw/zinc/94/75/32/452947532.db2.gz FPKFDSMSUOTFNG-HNNXBMFYSA-N 0 0 343.766 3.215 50 30 EGEARN Cc1ccc(-n2nnnc2[C@H](C#N)C(=O)c2cccc(Cl)c2)cc1 ZINC000016311447 453599926 /nfs/dbraw/zinc/59/99/26/453599926.db2.gz JGBFUYXKTKKEHD-OAHLLOKOSA-N 0 0 337.770 3.114 50 30 EGEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccnc1 ZINC000019300864 453654945 /nfs/dbraw/zinc/65/49/45/453654945.db2.gz UISSLKINORBWCP-KRWDZBQOSA-N 0 0 340.423 3.249 50 30 EGEARN C=CCn1nnc(NCc2ccc(-c3ccc(OC)c(Cl)c3)o2)n1 ZINC000032617078 453879998 /nfs/dbraw/zinc/87/99/98/453879998.db2.gz BBZXGNFMLIQCMM-UHFFFAOYSA-N 0 0 345.790 3.393 50 30 EGEARN N#Cc1cccc(C(=O)NCCCn2ccnc2-c2ccccc2)c1 ZINC000085555004 454032954 /nfs/dbraw/zinc/03/29/54/454032954.db2.gz PIQYBFRVRHRQHG-UHFFFAOYSA-N 0 0 330.391 3.242 50 30 EGEARN C/C(=N\NCOc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)CCC2 ZINC000043761327 454076928 /nfs/dbraw/zinc/07/69/28/454076928.db2.gz SBDFEWKZBLCFLB-DEDYPNTBSA-N 0 0 325.368 3.434 50 30 EGEARN COc1ccc(OC)c(-c2nc(CN3CCC[C@H](C#N)C3)c(C)o2)c1 ZINC000071751633 454214084 /nfs/dbraw/zinc/21/40/84/454214084.db2.gz XTOKLMCGLYUNEW-CQSZACIVSA-N 0 0 341.411 3.403 50 30 EGEARN CCCn1cc(-c2cc(-c3ccc(OC)nc3)nc(N)c2C#N)c(C)n1 ZINC000071763495 454215582 /nfs/dbraw/zinc/21/55/82/454215582.db2.gz RYGKXGJSRWWRDO-UHFFFAOYSA-N 0 0 348.410 3.188 50 30 EGEARN CCC#CCN1CCn2nc(CN(C)Cc3sccc3C)cc2C1 ZINC000072163563 454274154 /nfs/dbraw/zinc/27/41/54/454274154.db2.gz DWAOLLIUBXGUGE-UHFFFAOYSA-N 0 0 342.512 3.114 50 30 EGEARN C[C@H]1CC(NCc2ccccc2)=CC(=O)[C@H]1C(=O)NCc1ccccc1 ZINC000100000760 454463894 /nfs/dbraw/zinc/46/38/94/454463894.db2.gz GLBNMIOAGOTENI-KKSFZXQISA-N 0 0 348.446 3.202 50 30 EGEARN CC1=C(C(=O)OC(C)C)[C@@H](c2cccnc2)C2=C(CCCC2=O)N1 ZINC000100434519 454465778 /nfs/dbraw/zinc/46/57/78/454465778.db2.gz ZGYZPDAJCODHDO-QGZVFWFLSA-N 0 0 326.396 3.001 50 30 EGEARN C#CCn1c2ccc(C)cc2s/c1=N\C(=O)COc1ccccc1 ZINC000100875085 454467702 /nfs/dbraw/zinc/46/77/02/454467702.db2.gz NABRHSGMILMGKZ-VXPUYCOJSA-N 0 0 336.416 3.151 50 30 EGEARN N#CCCn1ncc2c1ncnc2N[C@@H]1CCSc2ccccc21 ZINC000065520136 454582640 /nfs/dbraw/zinc/58/26/40/454582640.db2.gz QVOUPJIYPMZLKT-CQSZACIVSA-N 0 0 336.424 3.389 50 30 EGEARN CC(C)(C#N)CCS(=O)(=O)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000585136646 459828544 /nfs/dbraw/zinc/82/85/44/459828544.db2.gz OEHGLFVNWMAJNN-KRWDZBQOSA-N 0 0 334.485 3.006 50 30 EGEARN CC1(C)CC(=O)C2C(=Nc3nonc3N[C@@H]2c2ccc(F)cc2)C1 ZINC000012323201 517502918 /nfs/dbraw/zinc/50/29/18/517502918.db2.gz LOFJDLAFPFYNBN-CQSZACIVSA-N 0 0 328.347 3.431 50 30 EGEARN C#CCn1c2ccc(Br)cc2s/c1=N\C(=O)CCC ZINC000100875331 518341771 /nfs/dbraw/zinc/34/17/71/518341771.db2.gz IZVJCFWWALJYIV-PEZBUJJGSA-N 0 0 337.242 3.326 50 30 EGEARN C=CCS(=O)(=O)N1CCC[C@@H](CCc2ccc(F)cc2F)C1 ZINC000014948273 519074682 /nfs/dbraw/zinc/07/46/82/519074682.db2.gz NZRXBJMUCYDZFJ-ZDUSSCGKSA-N 0 0 329.412 3.125 50 30 EGEARN C=CC[C@@]1(OC)C=C2C(=CC1=O)O[C@H](c1ccc3c(c1)OCO3)[C@H]2C ZINC000015043980 519108665 /nfs/dbraw/zinc/10/86/65/519108665.db2.gz HCKMSYACKQLOPY-OCCQLPPTSA-N 0 0 340.375 3.477 50 30 biogenic EGEARN CCOC(=O)COc1ccc(/C=N/N(C)c2ccccc2)cc1OC ZINC000004989556 520799932 /nfs/dbraw/zinc/79/99/32/520799932.db2.gz SYLNHNPNGVBMMF-DEDYPNTBSA-N 0 0 342.395 3.107 50 30 EGEARN CCOc1ccccc1/C=N\N1CCN(c2ccccc2OC)CC1 ZINC000015685349 521447295 /nfs/dbraw/zinc/44/72/95/521447295.db2.gz WVXJTGDVNUVUEB-PGMHBOJBSA-N 0 0 339.439 3.250 50 30 EGEARN CCC1N=NC(=S)N1N=Cc1ccc(COc2ccccc2C)o1 ZINC000036611526 522781491 /nfs/dbraw/zinc/78/14/91/522781491.db2.gz ADPWMMAMCDIKTR-VCHYOVAHSA-N 0 0 342.424 3.492 50 30 EGEARN Cc1cccc(C(=N)NOC(=O)[C@H](C)Oc2cccc(Cl)c2)c1 ZINC000004723527 524151299 /nfs/dbraw/zinc/15/12/99/524151299.db2.gz XMMGIRDREZNWKL-LBPRGKRZSA-N 0 0 332.787 3.279 50 30 EGEARN C=Cc1ccc2c(c1)c(=C(C#N)C#N)c1ccccc1c2=C(C#N)C#N ZINC000263618399 568419732 /nfs/dbraw/zinc/41/97/32/568419732.db2.gz SUTLXPZYDBOIRV-UHFFFAOYSA-N 0 0 330.350 3.032 50 30 EGEARN COc1ccc(NC(=O)Cn2cc(C#N)c3ccccc32)c(OC)c1 ZINC000051319017 214088970 /nfs/dbraw/zinc/08/89/70/214088970.db2.gz QPACISGRDPPFRJ-UHFFFAOYSA-N 0 0 335.363 3.169 50 30 EGEARN N#Cc1cc(Oc2ccc([N+](=O)[O-])c(F)c2)c([N+](=O)[O-])cc1C#N ZINC000004697958 210252551 /nfs/dbraw/zinc/25/25/51/210252551.db2.gz UIVMAGYYGQOHHS-UHFFFAOYSA-N 0 0 328.215 3.178 50 30 EGEARN N#Cc1ccccc1CN(CCCn1ccnc1)Cc1cccnc1 ZINC000055036780 214267056 /nfs/dbraw/zinc/26/70/56/214267056.db2.gz KESBGLGDWFSRAR-UHFFFAOYSA-N 0 0 331.423 3.242 50 30 EGEARN C=C(C)COc1cccc(C(=O)N(C)[C@@H](COC)c2ccccn2)c1 ZINC000055225070 214291636 /nfs/dbraw/zinc/29/16/36/214291636.db2.gz WYLNERNTWIWCPN-IBGZPJMESA-N 0 0 340.423 3.496 50 30 EGEARN COc1ccc(N2C(=O)C=C(c3ccc(F)cc3)C2/C=N/O)cc1 ZINC000100918679 219111236 /nfs/dbraw/zinc/11/12/36/219111236.db2.gz VTMLBBUGMXWNSA-MLHZQLSASA-N 0 0 326.327 3.093 50 30 EGEARN COc1ccc(-c2noc(COc3ccc(C#N)cc3OC)n2)cc1 ZINC000004384745 210185189 /nfs/dbraw/zinc/18/51/89/210185189.db2.gz SPFABISVKGDQEC-UHFFFAOYSA-N 0 0 337.335 3.204 50 30 EGEARN O=C(/C=C/c1ccc(C(=O)N2CCOCC2)cc1)c1ccc(F)cc1 ZINC000004107332 210121779 /nfs/dbraw/zinc/12/17/79/210121779.db2.gz WPTVYLJSFUQEDK-XCVCLJGOSA-N 0 0 339.366 3.194 50 30 EGEARN N#Cc1cccnc1N1CCC[C@@](CO)(CCOc2ccccc2)C1 ZINC000067983340 215268173 /nfs/dbraw/zinc/26/81/73/215268173.db2.gz KGWVLIWINQSIKO-HXUWFJFHSA-N 0 0 337.423 3.001 50 30 EGEARN C=CCN1C(=O)[C@](O)(CC(=O)c2ccc(Cl)s2)c2ccccc21 ZINC000000528617 209648783 /nfs/dbraw/zinc/64/87/83/209648783.db2.gz WWPHXRCUSALZHH-KRWDZBQOSA-N 0 0 347.823 3.395 50 30 EGEARN O=S(=O)(N/N=C/c1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000000451364 209609113 /nfs/dbraw/zinc/60/91/13/209609113.db2.gz GYSLQVDXCNSXJS-CXUHLZMHSA-N 0 0 329.208 3.306 50 30 EGEARN CCc1c(-c2ccc(S(C)(=O)=O)cc2)c(C#N)c(N)nc1C(C)C ZINC000071738805 215801843 /nfs/dbraw/zinc/80/18/43/215801843.db2.gz YPDVTCZNCJIIKK-UHFFFAOYSA-N 0 0 343.452 3.292 50 30 EGEARN O=S(=O)(/N=C/c1ccc(Br)cc1)c1cccs1 ZINC000000055548 209393566 /nfs/dbraw/zinc/39/35/66/209393566.db2.gz QDBJFRLQQSVCQR-MDWZMJQESA-N 0 0 330.228 3.318 50 30 EGEARN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccc(O)cc1 ZINC000004624620 283742895 /nfs/dbraw/zinc/74/28/95/283742895.db2.gz HMCLRBHPZLXNEX-QGZVFWFLSA-N 0 0 347.370 3.134 50 30 EGEARN C[C@](O)(C#C[C@](O)(c1ccccc1)C(F)(F)F)c1cccc(F)c1 ZINC000004334548 291334610 /nfs/dbraw/zinc/33/46/10/291334610.db2.gz HHUJOCNZCDDYGB-IRXDYDNUSA-N 0 0 338.300 3.487 50 30 EGEARN O=C(NCc1cccnc1)c1ccc(C#CC2(O)CCCCC2)cc1 ZINC000001187965 284009428 /nfs/dbraw/zinc/00/94/28/284009428.db2.gz LYVCHUBNUYEVGA-UHFFFAOYSA-N 0 0 334.419 3.058 50 30 EGEARN C[C@@H]1CN(c2oc(/C=C/c3ccc(F)cc3)nc2C#N)C[C@@H](C)O1 ZINC000020446576 212130332 /nfs/dbraw/zinc/13/03/32/212130332.db2.gz GPFDELKVSAPDOX-IURQOMBCSA-N 0 0 327.359 3.469 50 30 EGEARN N#Cc1nc(-c2cccc3ccccc32)oc1NCCN1CCOCC1 ZINC000020357562 212122055 /nfs/dbraw/zinc/12/20/55/212122055.db2.gz KWBKEIGMVBUGGD-UHFFFAOYSA-N 0 0 348.406 3.111 50 30 EGEARN Cc1nn(-c2cc(Oc3cc(C)cc(C)c3)nc(C)n2)c(N)c1C#N ZINC000019910311 212082983 /nfs/dbraw/zinc/08/29/83/212082983.db2.gz SYFMOBSGIDQFDJ-UHFFFAOYSA-N 0 0 334.383 3.142 50 30 EGEARN N#Cc1cccc(N2CCC[C@]3(CCC(=O)N(C4CCCC4)C3)C2)n1 ZINC000077488763 216917625 /nfs/dbraw/zinc/91/76/25/216917625.db2.gz HSWMTBCUVHJQMY-FQEVSTJZSA-N 0 0 338.455 3.105 50 30 EGEARN COc1ccccc1/C=N/N1CCN(Cc2ccc(C)cc2C)CC1 ZINC000019799329 212070303 /nfs/dbraw/zinc/07/03/03/212070303.db2.gz MSSJYHQUIGCUPW-PXLXIMEGSA-N 0 0 337.467 3.464 50 30 EGEARN N#Cc1cccc(C(=O)N2CCC([C@@H](O)Cc3ccccc3)CC2)c1 ZINC000019772090 212064058 /nfs/dbraw/zinc/06/40/58/212064058.db2.gz ZJZDSBFYEFAWQX-FQEVSTJZSA-N 0 0 334.419 3.014 50 30 EGEARN COc1ccc(CN2C(=O)[C@H](C)S/C2=N\N=C\c2ccco2)cc1 ZINC000013635888 211596080 /nfs/dbraw/zinc/59/60/80/211596080.db2.gz PIDCDZDAANTFJH-YVXZMFEASA-N 0 0 343.408 3.142 50 30 EGEARN Cc1[nH]c(NC(=O)CSc2nc3ccccc3[nH]2)c(C#N)c1C ZINC000012372031 211358223 /nfs/dbraw/zinc/35/82/23/211358223.db2.gz IHNLSCOVOMWSSH-UHFFFAOYSA-N 0 0 325.397 3.110 50 30 EGEARN COc1ccc(/C=C2\Oc3cc(C)cc(O)c3C2=O)c(OC)c1OC ZINC000011865206 211260921 /nfs/dbraw/zinc/26/09/21/211260921.db2.gz DQIDXNMZTNSJTF-DHDCSXOGSA-N 0 0 342.347 3.343 50 30 biogenic EGEARN COC(=O)c1ccc([C@@H]2[C@H](C(=O)c3ccccc3)C2(C#N)C#N)cc1 ZINC000004899161 210315984 /nfs/dbraw/zinc/31/59/84/210315984.db2.gz YRMIDASIVMKUSC-IAGOWNOFSA-N 0 0 330.343 3.103 50 30 EGEARN O=C(Nc1cccc([N+](=O)[O-])c1)C(F)(F)C(F)(F)C(F)(F)F ZINC000002172838 258049700 /nfs/dbraw/zinc/04/97/00/258049700.db2.gz XLJRHHILGOGNKM-UHFFFAOYSA-N 0 0 334.147 3.366 50 30 EGEARN Cc1cc(C)cc(OCC(=O)ONC(=N)c2ccccc2Cl)c1 ZINC000013635642 258056064 /nfs/dbraw/zinc/05/60/64/258056064.db2.gz KRHNITUNFLTWJN-UHFFFAOYSA-N 0 0 332.787 3.199 50 30 EGEARN COc1ccc2c(c1)occ(C=C1C(=O)c3ccccc3C1=O)c2=O ZINC000000550815 274140437 /nfs/dbraw/zinc/14/04/37/274140437.db2.gz XFKNVSUADJBSPP-UHFFFAOYSA-N 0 0 332.311 3.264 50 30 EGEARN COc1c(C#N)cc(I)cc1C(F)(F)F ZINC000095828966 277361090 /nfs/dbraw/zinc/36/10/90/277361090.db2.gz METMOUVZRLQWPY-UHFFFAOYSA-N 0 0 327.043 3.190 50 30 EGEARN COc1cc2c(cc1OC)C(=O)/C(=C\c1ccc3c(c1)OCCO3)C2 ZINC000085875322 277853079 /nfs/dbraw/zinc/85/30/79/277853079.db2.gz OZCYRGJGENFECA-AUWJEWJLSA-N 0 0 338.359 3.297 50 30 biogenic EGEARN C[C@H](CCc1ccccc1)N1CC(=O)C(c2nc3ccccc3[nH]2)=C1N ZINC000006700587 279273878 /nfs/dbraw/zinc/27/38/78/279273878.db2.gz IDJYMGIADFGRJN-CQSZACIVSA-N 0 0 346.434 3.096 50 30 EGEARN CC1(C)CC(=O)C2C(=Nc3c(C#N)cnn3[C@@H]2c2cccc(O)c2)C1 ZINC000044918132 280891784 /nfs/dbraw/zinc/89/17/84/280891784.db2.gz LTALOQMADSRXTF-QGZVFWFLSA-N 0 0 334.379 3.118 50 30 EGEARN CCOc1ccc(/C=C/C(=O)c2c(Br)cnn2C)cc1 ZINC000006554294 452953727 /nfs/dbraw/zinc/95/37/27/452953727.db2.gz WHGDPCQNRLYAAK-RMKNXTFCSA-N 0 0 335.201 3.477 50 30 EGEARN Cc1nc2n(n1)[C@@H](c1cc(F)cc(F)c1)C1C(=O)C[C@@H](C)CC1=N2 ZINC000004488252 302684009 /nfs/dbraw/zinc/68/40/09/302684009.db2.gz MYIJKDQIDFCTBY-PWJLMRLQSA-N 0 0 330.338 3.133 50 30 EGEARN CC(=O)C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@@H]1c1ccc(C(C)C)cc1 ZINC000000096603 452506768 /nfs/dbraw/zinc/50/67/68/452506768.db2.gz NYGOHHRVPKTXKW-SJLPKXTDSA-N 0 0 343.423 3.273 50 30 EGEARN CC(=O)c1cccc(-n2c(N)c(C#N)c3nc4ccccc4nc32)c1 ZINC000000107326 452508155 /nfs/dbraw/zinc/50/81/55/452508155.db2.gz JFPSDFRUQPWEHI-UHFFFAOYSA-N 0 0 327.347 3.230 50 30 EGEARN CCOC(=O)c1sc(NC(=O)c2ccccc2F)c(C#N)c1C ZINC000000113646 452510724 /nfs/dbraw/zinc/51/07/24/452510724.db2.gz BNFANLLLKREMQD-UHFFFAOYSA-N 0 0 332.356 3.496 50 30 EGEARN COc1ccc(/C(C)=N\N2CCN(c3ccccc3OC)CC2)cc1 ZINC000000230049 452544490 /nfs/dbraw/zinc/54/44/90/452544490.db2.gz NAHFLEZXDIVQIA-PGMHBOJBSA-N 0 0 339.439 3.250 50 30 EGEARN C=CCN1c2ccccc2[C@@](O)(CC(=O)c2ccc(CC)cc2)C1=O ZINC000000299844 452557137 /nfs/dbraw/zinc/55/71/37/452557137.db2.gz JKQSOEXJJMOKKR-NRFANRHFSA-N 0 0 335.403 3.242 50 30 EGEARN Cc1c(C#N)c(NC(=O)c2cccnc2)sc1C(=O)OC(C)C ZINC000000433719 452590600 /nfs/dbraw/zinc/59/06/00/452590600.db2.gz ASNBMNXXSGDDJS-UHFFFAOYSA-N 0 0 329.381 3.141 50 30 EGEARN Cc1nc2c3ccccc3[nH]c2c(=O)n1/N=C/c1ccc(N(C)C)cc1 ZINC000000499767 452608835 /nfs/dbraw/zinc/60/88/35/452608835.db2.gz MECDFQKKBARPGE-CIAFOILYSA-N 0 0 345.406 3.134 50 30 EGEARN COc1cc(OC)c(OC)cc1/C=N/NC(=S)Nc1ccccc1 ZINC000000731234 452632649 /nfs/dbraw/zinc/63/26/49/452632649.db2.gz FUYKCLPJJPJJTN-WOJGMQOQSA-N 0 0 345.424 3.033 50 30 EGEARN Oc1ccc2ccccc2c1C=NN1C(=S)N=NC1c1ccncc1 ZINC000001259923 452649092 /nfs/dbraw/zinc/64/90/92/452649092.db2.gz CMAIWILCYITNEX-RGVLZGJSSA-N 0 0 347.403 3.370 50 30 EGEARN COC(=O)CCc1nc2c(C#N)c(-c3ccc(Cl)cc3)ccn2n1 ZINC000001399544 452660579 /nfs/dbraw/zinc/66/05/79/452660579.db2.gz ARPKTWBJNXKZLT-UHFFFAOYSA-N 0 0 340.770 3.027 50 30 EGEARN O=[N+]([O-])c1ccc(-c2ccc(/C=N/N3CCOCC3)o2)c(Cl)c1 ZINC000001405358 452662097 /nfs/dbraw/zinc/66/20/97/452662097.db2.gz NUMYKHIBOLAYSJ-LICLKQGHSA-N 0 0 335.747 3.174 50 30 EGEARN C=CCNc1oc(COc2ccc(Br)cc2)nc1C#N ZINC000001805370 452678708 /nfs/dbraw/zinc/67/87/08/452678708.db2.gz GXLFPQVEWNHFTC-UHFFFAOYSA-N 0 0 334.173 3.486 50 30 EGEARN S=C1N=NC(COc2ccccc2)N1N=CC=Cc1ccco1 ZINC000002318345 452691861 /nfs/dbraw/zinc/69/18/61/452691861.db2.gz VXVVMRDWWQCBQD-KGUOSTGJSA-N 0 0 326.381 3.286 50 30 EGEARN N#Cc1ccc(C(=O)c2cccc(I)c2)cc1 ZINC000002392629 452695556 /nfs/dbraw/zinc/69/55/56/452695556.db2.gz IFJKUYPPLVHWGX-UHFFFAOYSA-N 0 0 333.128 3.394 50 30 EGEARN C=CCNc1nc(N)c(C(=O)c2ccc(Br)cc2)s1 ZINC000002379968 452695603 /nfs/dbraw/zinc/69/56/03/452695603.db2.gz RMBRASBYUXFJAE-UHFFFAOYSA-N 0 0 338.230 3.317 50 30 EGEARN CC1(C)CC2=C(C(=O)C1)[C@@](O)(C(F)(F)F)C(=O)N2C1CCCCC1 ZINC000002399213 452695775 /nfs/dbraw/zinc/69/57/75/452695775.db2.gz YSIKFBDMPKHKGN-INIZCTEOSA-N 0 0 345.361 3.098 50 30 EGEARN CCOc1ccccc1/C=N/NS(=O)(=O)c1ccc(Cl)cc1 ZINC000005475981 452877288 /nfs/dbraw/zinc/87/72/88/452877288.db2.gz FASGHMHVVGZEQB-GZTJUZNOSA-N 0 0 338.816 3.051 50 30 EGEARN O=[N+]([O-])c1ccc(C=CC=NN2C(=S)N=NC2c2ccccc2)o1 ZINC000005516934 452880967 /nfs/dbraw/zinc/88/09/67/452880967.db2.gz AQILLCXDRJAPDR-LVVPDBGKSA-N 0 0 341.352 3.282 50 30 EGEARN FC(F)Oc1ccc(C=NN2C(=S)N=NC2c2ccco2)cc1 ZINC000008340239 453194202 /nfs/dbraw/zinc/19/42/02/453194202.db2.gz XPTMDJBXBIBJPK-CAOOACKPSA-N 0 0 336.323 3.310 50 30 EGEARN CC1(C)CC(=O)C2=C(C1)Nc1[nH][nH]c(=O)c1[C@@H]2c1ccc(O)cc1 ZINC000012347436 453356087 /nfs/dbraw/zinc/35/60/87/453356087.db2.gz XJAUHDDFCOIMSM-CYBMUJFWSA-N 0 0 325.368 3.022 50 30 EGEARN Cc1cc(Br)c(NC(=O)CC#N)c(Br)c1 ZINC000012650234 453388612 /nfs/dbraw/zinc/38/86/12/453388612.db2.gz HYWJAQZORGFDHA-UHFFFAOYSA-N 0 0 331.995 3.372 50 30 EGEARN Cc1ccc(NC(=N)Nc2nc(C)cc(N3CCCCC3)n2)c(C)c1 ZINC000013522694 453468038 /nfs/dbraw/zinc/46/80/38/453468038.db2.gz FTUASJMDPFCADW-UHFFFAOYSA-N 0 0 338.459 3.450 50 30 EGEARN COc1ccc(/C=N/N=C2\SCC(=O)N2Cc2ccccc2)cc1 ZINC000013635750 453476032 /nfs/dbraw/zinc/47/60/32/453476032.db2.gz ATJSODNVWMWSLM-IVUIJMHVSA-N 0 0 339.420 3.161 50 30 EGEARN C[C@H]1C[C@@H]1c1ccc(/C=C2\C(=O)c3ccccc3S(=O)(=O)N2C)o1 ZINC000013655847 453478664 /nfs/dbraw/zinc/47/86/64/453478664.db2.gz WTSMIYHHQIFZKW-LHNWDAFHSA-N 0 0 343.404 3.261 50 30 EGEARN CCc1ccc(S(=O)(=O)/N=C2\C=CC(=O)c3ccccc32)cc1 ZINC000018046699 453642089 /nfs/dbraw/zinc/64/20/89/453642089.db2.gz TXFWTMBJLZVFHP-HTXNQAPBSA-N 0 0 325.389 3.180 50 30 EGEARN C=CCN1c2ccccc2[C@]2(NCCc3c4cc(F)ccc4[nH]c32)C1=O ZINC000020064209 453661854 /nfs/dbraw/zinc/66/18/54/453661854.db2.gz PCFMPFDVGZSEFI-OAQYLSRUSA-N 0 0 347.393 3.229 50 30 biogenic EGEARN CC(C)CCN1C[C@]2(CCCN(c3ccc(C#N)cn3)C2)CCC1=O ZINC000077319115 454090713 /nfs/dbraw/zinc/09/07/13/454090713.db2.gz CZQDKSWTBXMJRM-HXUWFJFHSA-N 0 0 340.471 3.208 50 30 EGEARN COc1ccc(OC2CCN(C(=O)c3ccc(C#N)cc3)CC2)cc1 ZINC000077503986 454114818 /nfs/dbraw/zinc/11/48/18/454114818.db2.gz UZDXGRRXGYWYHL-UHFFFAOYSA-N 0 0 336.391 3.250 50 30 EGEARN CCOC(=O)c1cccc(NC=CC(=O)c2ccc3c(c2)OCO3)c1 ZINC000044842552 454121925 /nfs/dbraw/zinc/12/19/25/454121925.db2.gz GFUYBHFBFLICGA-CMDGGOBGSA-N 0 0 339.347 3.401 50 30 EGEARN C[C@@]1(O)CC[C@H]2[C@H]3CC[C@]45O[C@H]4OC(=O)CC[C@]5(C)[C@@H]3CC[C@@]21C ZINC000071786537 454218899 /nfs/dbraw/zinc/21/88/99/454218899.db2.gz GRVLFUXZSFWPQB-GCJVYBTDSA-N 0 0 334.456 3.412 50 30 EGEARN CN1C(=O)c2ccccc2[C@@H](C(=O)Nc2nc[nH]n2)[C@H]1c1ccccc1 ZINC000095474268 454219444 /nfs/dbraw/zinc/21/94/44/454219444.db2.gz JUPHXOAVMVZLAO-HZPDHXFCSA-N 0 0 347.378 3.003 50 30 EGEARN Cc1cc(C)nc(N=NCC2C(=O)CC(c3ccco3)CC2=O)n1 ZINC000095483460 454220936 /nfs/dbraw/zinc/22/09/36/454220936.db2.gz YFANJFAASISXFL-BEAUZRKQSA-N 0 0 326.356 3.043 50 30 EGEARN COc1ccc2c(ccn2CC(=O)Nc2nnc(CC(C)C)[nH]2)c1 ZINC000095477735 454221632 /nfs/dbraw/zinc/22/16/32/454221632.db2.gz BZGLLFPIASOARR-UHFFFAOYSA-N 0 0 327.388 3.255 50 30 EGEARN COc1ccc(C(=O)c2sc(NC(C)C)c(C#N)c2N)cc1OC ZINC000059606777 454260811 /nfs/dbraw/zinc/26/08/11/454260811.db2.gz BGNDMTJRKPAFAD-UHFFFAOYSA-N 0 0 345.424 3.270 50 30 EGEARN Cc1csc([C@@H]2CN(CCCOc3ccc(C#N)cc3)CCO2)n1 ZINC000065473901 454572308 /nfs/dbraw/zinc/57/23/08/454572308.db2.gz KIKQMXXYZQFEFF-KRWDZBQOSA-N 0 0 343.452 3.166 50 30 EGEARN O=C(C1=C(O)C(=O)N[C@@H]1c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000104126838 454575570 /nfs/dbraw/zinc/57/55/70/454575570.db2.gz UQAIUOAHCGWEKC-SXWSKBOKSA-N 0 0 331.730 3.188 50 30 EGEARN CCOc1cc([C@@H](C#N)N2CCO[C@@H](c3ccccc3)C2)ccc1O ZINC000170594280 454936762 /nfs/dbraw/zinc/93/67/62/454936762.db2.gz HCLZRSWNXNLSIT-YLJYHZDGSA-N 0 0 338.407 3.429 50 30 EGEARN N#Cc1nc2c(nc1C#N)C(=NOCc1ccccc1)c1ccccc1-2 ZINC000255003915 455858498 /nfs/dbraw/zinc/85/84/98/455858498.db2.gz GKOWDIBLCDZJHF-UHFFFAOYSA-N 0 0 337.342 3.170 50 30 EGEARN C[C@]12C[C@@H](O)[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC/C2=C\CO ZINC000257358186 455897974 /nfs/dbraw/zinc/89/79/74/455897974.db2.gz SBMHTRUNPKWTLU-CQZHNCCLSA-N 0 0 330.468 3.408 50 30 EGEARN C[C@@]1(O)CC[C@@H]2[C@H]3CC[C@]45O[C@@H]4OC(=O)CC[C@]5(C)[C@@H]3CC[C@@]21C ZINC000257356188 455898031 /nfs/dbraw/zinc/89/80/31/455898031.db2.gz GRVLFUXZSFWPQB-XVKSGNMISA-N 0 0 334.456 3.412 50 30 EGEARN COc1ccc2[nH]cc(CCNC(=O)c3ccc(N=[N+]=[N-])nc3)c2c1 ZINC000334159263 456307952 /nfs/dbraw/zinc/30/79/52/456307952.db2.gz LBCFKFSAVTZTJV-UHFFFAOYSA-N 0 0 336.355 3.486 50 30 EGEARN C[C@]12CC(=O)[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CCC21OCCO1 ZINC000299804359 456781842 /nfs/dbraw/zinc/78/18/42/456781842.db2.gz XMIPNXQFQQDPBR-CJGGRQNCSA-N 0 0 344.451 3.440 50 30 EGEARN CCCCNC(=O)CN(C)C(=O)c1cccc(-c2ccccc2C#N)c1 ZINC000426518879 457847387 /nfs/dbraw/zinc/84/73/87/457847387.db2.gz ZMBXDZXPSJUNMQ-UHFFFAOYSA-N 0 0 349.434 3.214 50 30 EGEARN CCOC(CNc1oc(-c2ccccc2OC)nc1C#N)OCC ZINC000585152223 459831644 /nfs/dbraw/zinc/83/16/44/459831644.db2.gz BUSUPGNCQQPUOU-UHFFFAOYSA-N 0 0 331.372 3.033 50 30 EGEARN C#CCn1c2c(cccc2OC)s/c1=N\C(=O)c1ccc(C)cc1 ZINC000100909829 518341330 /nfs/dbraw/zinc/34/13/30/518341330.db2.gz ZFOGDCCMSYJDEH-VXPUYCOJSA-N 0 0 336.416 3.394 50 30 EGEARN C=C(C)COc1cccc(C(=O)NCCCn2ccnc2CC)c1 ZINC000055119683 518619873 /nfs/dbraw/zinc/61/98/73/518619873.db2.gz SABXZPMPDHZRSQ-UHFFFAOYSA-N 0 0 327.428 3.221 50 30 EGEARN C=CCC(=O)N1CC[C@]2(C1)CCCN(CCCc1ccccc1)C2=O ZINC000012439367 518686828 /nfs/dbraw/zinc/68/68/28/518686828.db2.gz DLKQRZFPJSTCDA-NRFANRHFSA-N 0 0 340.467 3.036 50 30 EGEARN C=CCc1ccc(OCCN2C(=O)c3ccccc3C2=O)c(OC)c1 ZINC000005049788 519137161 /nfs/dbraw/zinc/13/71/61/519137161.db2.gz RDJJJAAURHQGHE-UHFFFAOYSA-N 0 0 337.375 3.099 50 30 EGEARN CCCCOc1ccc(/C=N/NS(=O)(=O)c2ccccc2)cc1 ZINC000001884711 520854152 /nfs/dbraw/zinc/85/41/52/520854152.db2.gz GARKNZMXLWQCII-NBVRZTHBSA-N 0 0 332.425 3.178 50 30 EGEARN N=C(NOC(=O)CCc1ccccc1)c1cccc(Br)c1 ZINC000004832130 526808721 /nfs/dbraw/zinc/80/87/21/526808721.db2.gz BGAMIZAUMRPBLP-UHFFFAOYSA-N 0 0 347.212 3.245 50 30 EGEARN O=C(COc1ccccc1)O/N=C/c1ccc(Br)cc1 ZINC000004953687 526986983 /nfs/dbraw/zinc/98/69/83/526986983.db2.gz QOKATBGEQAVQBN-LICLKQGHSA-N 0 0 334.169 3.405 50 30 EGEARN C=CCN(Cc1ccc(C#CCO)s1)Cc1ccccc1OC ZINC000055283279 214301701 /nfs/dbraw/zinc/30/17/01/214301701.db2.gz BDJKNFHTRQSIFO-UHFFFAOYSA-N 0 0 327.449 3.289 50 30 EGEARN COC(=O)C(=CNC1CC1)C(=O)c1cc(F)c(Cl)cc1Cl ZINC000100112810 219091708 /nfs/dbraw/zinc/09/17/08/219091708.db2.gz YCDBNUJZSAFBIY-RMKNXTFCSA-N 0 0 332.158 3.124 50 30 EGEARN O=C1CC(c2ccccc2)CC(=O)C1=CNCc1ccc2c(c1)OCO2 ZINC000100630916 219103068 /nfs/dbraw/zinc/10/30/68/219103068.db2.gz ZBEIBHWTFMMBAC-UHFFFAOYSA-N 0 0 349.386 3.105 50 30 EGEARN COc1ccc(OC)c(-c2cc3ccc(OCC#N)cc3oc2=O)c1 ZINC000004085548 210116334 /nfs/dbraw/zinc/11/63/34/210116334.db2.gz PMIXBFZQVQNODN-UHFFFAOYSA-N 0 0 337.331 3.380 50 30 biogenic EGEARN Cc1ccccc1C[C@@H]1S/C(=N\N=C\c2cccs2)NC1=O ZINC000004075918 210113663 /nfs/dbraw/zinc/11/36/63/210113663.db2.gz HHLDEULGVNOHDE-FBJMNJBLSA-N 0 0 329.450 3.221 50 30 EGEARN C=CCC(=O)N1CCOc2c(O)cc(-c3ccc(Cl)cn3)cc2C1 ZINC000067605463 215167812 /nfs/dbraw/zinc/16/78/12/215167812.db2.gz TVHXPLHZFKBYCG-UHFFFAOYSA-N 0 0 344.798 3.405 50 30 EGEARN C=CCN1c2ccc(Cl)cc2[C@](O)(CC(=O)c2ccccc2)C1=O ZINC000001320484 209725142 /nfs/dbraw/zinc/72/51/42/209725142.db2.gz SPQBBAKMMUIOGJ-LJQANCHMSA-N 0 0 341.794 3.333 50 30 EGEARN CCOc1cccc([C@@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)CCC3)c1 ZINC000000129695 209439488 /nfs/dbraw/zinc/43/94/88/209439488.db2.gz NNTZJFMOSKCNDU-GOSISDBHSA-N 0 0 341.407 3.226 50 30 EGEARN CCOc1cccc([C@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)CCC3)c1 ZINC000000129701 209438976 /nfs/dbraw/zinc/43/89/76/209438976.db2.gz NNTZJFMOSKCNDU-SFHVURJKSA-N 0 0 341.407 3.226 50 30 EGEARN N#Cc1ccc(CCC(=O)NC[C@H]2CCCN2c2ccccc2)cc1 ZINC000207989911 241065391 /nfs/dbraw/zinc/06/53/91/241065391.db2.gz YXSMKUPIQHCWCS-HXUWFJFHSA-N 0 0 333.435 3.276 50 30 EGEARN C#CCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccccc2C)C1 ZINC000007425214 210799242 /nfs/dbraw/zinc/79/92/42/210799242.db2.gz LNQMRGCMULFJHY-MRXNPFEDSA-N 0 0 329.403 3.498 50 30 EGEARN Cc1cc(C)c(C#N)c(SCC(=O)Nc2ccccc2[N+](=O)[O-])n1 ZINC000005336986 210442993 /nfs/dbraw/zinc/44/29/93/210442993.db2.gz MDKLATAXBBRTND-UHFFFAOYSA-N 0 0 342.380 3.209 50 30 EGEARN Cc1cccc(C[C@@H]2S/C(=N/N=C/c3ccccc3C)NC2=O)c1 ZINC000004964799 210342286 /nfs/dbraw/zinc/34/22/86/210342286.db2.gz FMKCKTDIZYSMJI-RONKMWSCSA-N 0 0 337.448 3.468 50 30 EGEARN COC(=O)C1=C(Nc2ccccc2)SC(=Cc2cccnc2)C1=O ZINC000004881491 210311743 /nfs/dbraw/zinc/31/17/43/210311743.db2.gz LSSYBFGSQFNPAU-UVTDQMKNSA-N 0 0 338.388 3.235 50 30 EGEARN Cc1nc(NC(=O)c2ccc(C#N)cc2F)ccc1Br ZINC000004841695 210296579 /nfs/dbraw/zinc/29/65/79/210296579.db2.gz OIFUWVJSAVAAAO-UHFFFAOYSA-N 0 0 334.148 3.416 50 30 EGEARN CCOc1cc(/C=N/O)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000013110565 257950821 /nfs/dbraw/zinc/95/08/21/257950821.db2.gz AUEHBPSWHOFRPH-YBFXNURJSA-N 0 0 328.368 3.219 50 30 EGEARN C=CCn1c(C)nnc1SCC(=O)Nc1cccc(Cl)c1C ZINC000012851209 258017616 /nfs/dbraw/zinc/01/76/16/258017616.db2.gz DGGDLRMOVALEKL-UHFFFAOYSA-N 0 0 336.848 3.465 50 30 EGEARN C=C(C)COc1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1 ZINC000009698551 258017922 /nfs/dbraw/zinc/01/79/22/258017922.db2.gz ACQRKTPUKLZNPU-UHFFFAOYSA-N 0 0 325.364 3.300 50 30 EGEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(F)cc1 ZINC000006138385 258051607 /nfs/dbraw/zinc/05/16/07/258051607.db2.gz ZQWHZMRDHZGSRV-KRWDZBQOSA-N 0 0 329.371 3.357 50 30 EGEARN C=CC[C@]1(OC)C=C2C(=CC1=O)O[C@H](c1ccc3c(c1)OCO3)[C@H]2C ZINC000013460498 258056206 /nfs/dbraw/zinc/05/62/06/258056206.db2.gz HCKMSYACKQLOPY-OUWQEXSBSA-N 0 0 340.375 3.477 50 30 biogenic,in-vitro EGEARN OC[C@@](F)([C@H](F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000095671203 258067292 /nfs/dbraw/zinc/06/72/92/258067292.db2.gz PCGUNVYNJIFBQT-STHAYSLISA-N 0 0 332.084 3.420 50 30 EGEARN CCOC(=O)C1=C(C)NC(=Cc2c(Cl)cccc2Cl)C1=O ZINC000019859103 285668359 /nfs/dbraw/zinc/66/83/59/285668359.db2.gz BFUPRYMLENYASC-GHXNOFRVSA-N 0 0 326.179 3.344 50 30 EGEARN Cc1ccc(CS(=O)(=O)c2oc(-c3ccccc3)nc2C#N)cc1 ZINC000170623810 226663722 /nfs/dbraw/zinc/66/37/22/226663722.db2.gz FGDAQZZXLAXFEE-UHFFFAOYSA-N 0 0 338.388 3.496 50 30 EGEARN CC(=O)[C@H]1C[C@@H](O)[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000071770796 275801232 /nfs/dbraw/zinc/80/12/32/275801232.db2.gz TXSVIPOXNODKEY-XCEZYFHXSA-N 0 0 328.452 3.470 50 30 EGEARN CC(=O)C1=C(C)Oc2nc(C)[nH]c(=O)c2[C@@H]1c1ccccc1Cl ZINC000015082926 277932543 /nfs/dbraw/zinc/93/25/43/277932543.db2.gz NKTCMUNZKWUXGS-CQSZACIVSA-N 0 0 330.771 3.119 50 30 EGEARN O=[N+]([O-])c1ccc(/C=N\N2CCN(c3ccc(Cl)cc3)CC2)cc1 ZINC000005033443 280362426 /nfs/dbraw/zinc/36/24/26/280362426.db2.gz LDXVKJDXFWSIAH-UYRXBGFRSA-N 0 0 344.802 3.404 50 30 EGEARN COC(=O)c1ccc(NC=C2C(=O)CC(c3ccccc3)CC2=O)cc1 ZINC000000177132 452527408 /nfs/dbraw/zinc/52/74/08/452527408.db2.gz VHIXGYYQSMLTDJ-UHFFFAOYSA-N 0 0 349.386 3.485 50 30 EGEARN Cc1ccc(S(=O)(=O)N/N=C/c2[nH]c3ccccc3c2Cl)cc1 ZINC000000442047 452592363 /nfs/dbraw/zinc/59/23/63/452592363.db2.gz JGVONKMMZMIBRG-VCHYOVAHSA-N 0 0 347.827 3.442 50 30 EGEARN O=c1cc(N=Cc2coc3cc(Cl)ccc3c2=O)[nH]c(=S)[nH]1 ZINC000000553553 452619717 /nfs/dbraw/zinc/61/97/17/452619717.db2.gz GMXUZRGREKETOJ-FZSIALSZSA-N 0 0 333.756 3.355 50 30 EGEARN Cc1nc2ccccc2c(=O)n1/N=C/c1cccc(Br)c1 ZINC000000547985 452620058 /nfs/dbraw/zinc/62/00/58/452620058.db2.gz ZQYMXEKIZJJCRH-VCHYOVAHSA-N 0 0 342.196 3.350 50 30 EGEARN COc1cccc(N2C(=O)C(=O)C(=C(C)O)[C@H]2c2ccccc2F)c1 ZINC000000548646 452620296 /nfs/dbraw/zinc/62/02/96/452620296.db2.gz FALARGXHXHDVOU-QGZVFWFLSA-N 0 0 341.338 3.323 50 30 EGEARN COC(=O)/C(=N/Nc1ccccc1OC)N1CCCc2ccccc21 ZINC000000553162 452621007 /nfs/dbraw/zinc/62/10/07/452621007.db2.gz SXGARBWBMIPAGL-UZYVYHOESA-N 0 0 339.395 3.046 50 30 EGEARN C=CCN1C(=O)C(=Cc2c(C)[nH]c3ccccc32)C(=O)NC1=S ZINC000001261134 452651724 /nfs/dbraw/zinc/65/17/24/452651724.db2.gz OIFKVTYXFHRYIP-UKTHLTGXSA-N 0 0 325.393 3.129 50 30 biogenic EGEARN N=C(NN=Cc1ccc(Cl)cc1)NN=Cc1ccc(Cl)cc1 ZINC000002013227 452683842 /nfs/dbraw/zinc/68/38/42/452683842.db2.gz MOOFYEJFXBSZGE-LQGKIZFRSA-N 0 0 334.210 3.475 50 30 in-man EGEARN C=CCOC(=O)c1ccc2c(c1)C(=O)N(c1cc(C)ccc1C)C2=O ZINC000002480872 452700734 /nfs/dbraw/zinc/70/07/34/452700734.db2.gz WOANTZVFIQAJGI-UHFFFAOYSA-N 0 0 335.359 3.447 50 30 EGEARN C(=N/N1CCOCC1)\c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000002529540 452703939 /nfs/dbraw/zinc/70/39/39/452703939.db2.gz YTQVYDMKDOFJLD-RCCKNPSSSA-N 0 0 332.407 3.205 50 30 EGEARN COC(=O)c1sc(NC(=O)[C@]2(C)CC2(Cl)Cl)c(C#N)c1C ZINC000002872523 452732441 /nfs/dbraw/zinc/73/24/41/452732441.db2.gz ZMZBCHAVWIPFRQ-LBPRGKRZSA-N 0 0 347.223 3.237 50 30 EGEARN C=CCOC(=O)/C(=C\c1ccccc1)NC(=O)c1ccc(OC)cc1 ZINC000002898938 452733739 /nfs/dbraw/zinc/73/37/39/452733739.db2.gz ZCGUIWXDWDGUKR-NBVRZTHBSA-N 0 0 337.375 3.195 50 30 EGEARN O=C1C[C@H](c2ccco2)CC2=Nc3ncnn3[C@@H](c3ccccc3)C12 ZINC000004435933 452804704 /nfs/dbraw/zinc/80/47/04/452804704.db2.gz XHIGTUVIKQAZIQ-ACJLOTCBSA-N 0 0 332.363 3.287 50 30 EGEARN CO/N=C/C(=NNc1ccc(OC)cc1)C(=O)c1ccc(F)cc1 ZINC000005210717 452848572 /nfs/dbraw/zinc/84/85/72/452848572.db2.gz ISUPWLKTTGJUKS-BRRLLNCPSA-N 0 0 329.331 3.117 50 30 EGEARN COc1ccc(C)cc1NC(=S)N1CCN(c2ccccn2)CC1 ZINC000008682729 453222089 /nfs/dbraw/zinc/22/20/89/453222089.db2.gz UYUMUOMARMYKFR-UHFFFAOYSA-N 0 0 342.468 3.138 50 30 EGEARN COc1ccc2[nH]c(SCC(=O)Nc3ccc(C#N)cc3)nc2c1 ZINC000008745157 453231272 /nfs/dbraw/zinc/23/12/72/453231272.db2.gz KODURZQSKRNERU-UHFFFAOYSA-N 0 0 338.392 3.174 50 30 EGEARN C=CCN1C(=O)/C(=C2\c3ccccc3N(CCC)C2=O)SC1=S ZINC000013773575 453487805 /nfs/dbraw/zinc/48/78/05/453487805.db2.gz SGROJWVZHRAJOM-YPKPFQOOSA-N 0 0 344.461 3.201 50 30 EGEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccncc1 ZINC000019314776 453656234 /nfs/dbraw/zinc/65/62/34/453656234.db2.gz RJYBOKZBEUQUPG-QGZVFWFLSA-N 0 0 340.423 3.249 50 30 EGEARN O=C1CCCC2=C1C(c1ccc3c(c1)OCO3)C1=C(CCCC1=O)N2 ZINC000019596596 453657559 /nfs/dbraw/zinc/65/75/59/453657559.db2.gz RYXXLFCKXHXTJY-UHFFFAOYSA-N 0 0 337.375 3.116 50 30 EGEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(O)c1 ZINC000019925098 453660609 /nfs/dbraw/zinc/66/06/09/453660609.db2.gz INUIWVGZXKLKJO-QGZVFWFLSA-N 0 0 341.407 3.169 50 30 EGEARN CC(=O)C1=C(C)Nc2sc(C(N)=O)c(N)c2[C@@H]1c1cccc(C)c1 ZINC000022034606 453686109 /nfs/dbraw/zinc/68/61/09/453686109.db2.gz YAMXUQMJYBYLFK-CYBMUJFWSA-N 0 0 341.436 3.158 50 30 EGEARN CNC(=O)O[C@@H]1C=CC(=O)[C@@](C)(c2ccc(-c3ccccc3)cc2)O1 ZINC000033815021 453917431 /nfs/dbraw/zinc/91/74/31/453917431.db2.gz WAFJSVJRYUCSTB-AZUAARDMSA-N 0 0 337.375 3.406 50 30 EGEARN O=C(CN1CCc2cc3c(cc2C1)OCCCO3)Nc1ccccc1 ZINC000082058976 453922242 /nfs/dbraw/zinc/92/22/42/453922242.db2.gz GQGJCWGYQYFVOP-UHFFFAOYSA-N 0 0 338.407 3.494 50 30 biogenic EGEARN N#Cc1cccc(N2CCC[C@@](CO)(CCOc3ccccc3)C2)n1 ZINC000067695906 453957691 /nfs/dbraw/zinc/95/76/91/453957691.db2.gz UWZVEBZJTPVGJM-HXUWFJFHSA-N 0 0 337.423 3.001 50 30 EGEARN Cc1nccn1C[C@H]1CCCN(c2nc3c(cc2C#N)CCCC3)C1 ZINC000077337921 454093550 /nfs/dbraw/zinc/09/35/50/454093550.db2.gz WFSWWUVKDPYAGA-MRXNPFEDSA-N 0 0 335.455 3.254 50 30 EGEARN C[C@]12CC=C3[C@H](CC[C@@]45CC6(CC[C@@]34O5)OCCO6)[C@H]1CCC2=O ZINC000095092861 454195606 /nfs/dbraw/zinc/19/56/06/454195606.db2.gz BAMMJXIMVWLRCU-TYQQRYPHSA-N 0 0 330.424 3.147 50 30 EGEARN CCn1nc(C)c(-c2cc(-c3cccc(O)c3)c(C#N)c(N)n2)c1C ZINC000071405772 454206521 /nfs/dbraw/zinc/20/65/21/454206521.db2.gz UHNNHLHORYXGCQ-UHFFFAOYSA-N 0 0 333.395 3.408 50 30 EGEARN N#Cc1c(N)c(C#N)c(-c2ccccc2Cl)nc1Br ZINC000078549679 454274579 /nfs/dbraw/zinc/27/45/79/454274579.db2.gz MGQYNLOLRRHCSW-UHFFFAOYSA-N 0 0 333.576 3.490 50 30 EGEARN Cc1ccccc1-c1cccc([C@@H](C#CCCO)N2CCOCC2)c1 ZINC000096140855 454293270 /nfs/dbraw/zinc/29/32/70/454293270.db2.gz WZWCPAAKFBPFFN-JOCHJYFZSA-N 0 0 335.447 3.421 50 30 EGEARN COc1cc(Cl)cc2c1OCC(=O)N(c1cccc(C#N)c1)C2 ZINC000065184531 454536653 /nfs/dbraw/zinc/53/66/53/454536653.db2.gz ZHZPPPKUIJPTPQ-UHFFFAOYSA-N 0 0 328.755 3.146 50 30 EGEARN C[C@@]12CC(=O)[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC1OC(=O)C=C12 ZINC000257357982 455897761 /nfs/dbraw/zinc/89/77/61/455897761.db2.gz RBULKOMEEZXUGR-YXGYCTSJSA-N 0 0 340.419 3.159 50 30 EGEARN CC[C@@H](NS(=O)(=O)c1ccc(C#N)cc1Cl)c1ncccc1C ZINC000534667083 459344120 /nfs/dbraw/zinc/34/41/20/459344120.db2.gz YNALEIMDUIQCCT-CQSZACIVSA-N 0 0 349.843 3.345 50 30 EGEARN Cc1[nH]c(CN2CCC(O)(c3ccc(Cl)cc3)CC2)cc1C#N ZINC000584900205 459820940 /nfs/dbraw/zinc/82/09/40/459820940.db2.gz FBSAJJKABMSGOW-UHFFFAOYSA-N 0 0 329.831 3.332 50 30 EGEARN CC1=C2C(=NC(=O)[C@@H](C#N)[C@@H]2c2cccc(Oc3ccccc3)c2)NN1 ZINC000585145675 459829606 /nfs/dbraw/zinc/82/96/06/459829606.db2.gz WSSMPNRMSPVDCQ-WMZOPIPTSA-N 0 0 344.374 3.023 50 30 EGEARN C=CCn1c(SCc2c(F)cccc2F)nnc1-c1cnccn1 ZINC000016755580 517340246 /nfs/dbraw/zinc/34/02/46/517340246.db2.gz XTAXEIQUTDXJRJ-UHFFFAOYSA-N 0 0 345.378 3.492 50 30 EGEARN C=C(C)COc1cccc(C(=O)N(C)Cc2nc(CC(C)C)no2)c1 ZINC000055326592 518618962 /nfs/dbraw/zinc/61/89/62/518618962.db2.gz FPHBBGRGQJNMEI-UHFFFAOYSA-N 0 0 343.427 3.495 50 30 EGEARN CO/N=C/C(=NNc1ccc(C)cc1)C(=O)c1ccc(OC)cc1 ZINC000100377519 522738022 /nfs/dbraw/zinc/73/80/22/522738022.db2.gz PNUFWUWWYIVHBO-YKTCLATHSA-N 0 0 325.368 3.287 50 30 EGEARN O=C(ON=C1C=CC(=NOC(=O)c2ccccc2)C=C1)c1ccco1 ZINC000000052463 526432983 /nfs/dbraw/zinc/43/29/83/526432983.db2.gz LMYNUPPENXBKIV-UHFFFAOYSA-N 0 0 336.303 3.131 50 30 EGEARN N=C(NOC(=O)COc1ccccc1Cl)c1ccc(Cl)cc1 ZINC000005042365 526808743 /nfs/dbraw/zinc/80/87/43/526808743.db2.gz PKEHLSAURISJRP-UHFFFAOYSA-N 0 0 339.178 3.236 50 30 EGEARN O=[N+]([O-])c1ccc(N=NCc2ccc(Br)s2)nc1 ZINC000004739603 210265026 /nfs/dbraw/zinc/26/50/26/210265026.db2.gz OQIXPEYPPBHHHU-AWNIVKPZSA-N 0 0 327.163 3.260 50 30 EGEARN C=CCNC(=O)C[C@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000004714978 210257966 /nfs/dbraw/zinc/25/79/66/210257966.db2.gz UHSWIIGUADXLPI-NSHDSACASA-N 0 0 339.233 3.106 50 30 EGEARN CC(C)OC(=O)C(=O)C=C(Nc1ccccc1O)c1ccccc1 ZINC000100091180 219090893 /nfs/dbraw/zinc/09/08/93/219090893.db2.gz GDOZYRKOHZNVMJ-VBKFSLOCSA-N 0 0 325.364 3.366 50 30 biogenic EGEARN FC(F)(F)c1ccccc1/C=N/N1CCN(c2ccccn2)CC1 ZINC000100576588 219102191 /nfs/dbraw/zinc/10/21/91/219102191.db2.gz LHCBEAIBSLDLTG-LPYMAVHISA-N 0 0 334.345 3.257 50 30 EGEARN CCSc1nc2n(n1)[C@@H](c1cccc(O)c1)C1C(=O)CCCC1=N2 ZINC000004436174 210192692 /nfs/dbraw/zinc/19/26/92/210192692.db2.gz YSPKITCYEARGPE-HNNXBMFYSA-N 0 0 342.424 3.118 50 30 EGEARN COc1ccc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc1OC ZINC000004416166 210191273 /nfs/dbraw/zinc/19/12/73/210191273.db2.gz UHJQUDOUGDSPCS-ZZXKWVIFSA-N 0 0 326.348 3.371 50 30 EGEARN CCc1nc(SCC(=O)N(CC)CC)c(C#N)c2c1CCCC2 ZINC000004372121 210182429 /nfs/dbraw/zinc/18/24/29/210182429.db2.gz RQIUCRHTOSEXSW-UHFFFAOYSA-N 0 0 331.485 3.355 50 30 EGEARN C=CCSC1=N/C(=C\c2cc3c(c(OC)c2)OCO3)C(=O)S1 ZINC000003000824 209953118 /nfs/dbraw/zinc/95/31/18/209953118.db2.gz ABLYHHAPJOFYQH-YHYXMXQVSA-N 0 0 335.406 3.313 50 30 aggregator EGEARN COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccccc1Cl ZINC000019315001 290922752 /nfs/dbraw/zinc/92/27/52/290922752.db2.gz WUFDQBHZZWKXNM-MRXNPFEDSA-N 0 0 331.799 3.481 50 30 EGEARN C#CCOc1ccc([C@@H]2CC(=O)Nc3c2ncn3-c2cccnc2)cc1 ZINC000040287940 213288744 /nfs/dbraw/zinc/28/87/44/213288744.db2.gz KLXUVTDPIUKRQH-KRWDZBQOSA-N 0 0 344.374 3.403 50 30 EGEARN CCOc1ccc(C=NNC2=NC(=O)[C@H](c3ccccc3)S2)cc1 ZINC000001415586 209743911 /nfs/dbraw/zinc/74/39/11/209743911.db2.gz VKMMORJHOTWKBY-QUYZQLMHSA-N 0 0 339.420 3.380 50 30 EGEARN N#CCOc1c(Br)cc([N+](=O)[O-])cc1Br ZINC000050441358 283053530 /nfs/dbraw/zinc/05/35/30/283053530.db2.gz KNKHMLWAWGGBHX-UHFFFAOYSA-N 0 0 335.939 3.022 50 30 EGEARN COc1ccc(C(=O)CSc2nc(C)c(C(C)=O)cc2C#N)cc1 ZINC000000496265 209634747 /nfs/dbraw/zinc/63/47/47/209634747.db2.gz PZNNIUIYUNLGTE-UHFFFAOYSA-N 0 0 340.404 3.448 50 30 EGEARN S=C1N=NCN1N=Cc1ccc(COc2ccc3c(c2)CCC3)o1 ZINC000036611069 213100271 /nfs/dbraw/zinc/10/02/71/213100271.db2.gz ORMCBFNQTUKJEJ-DJKKODMXSA-N 0 0 340.408 3.110 50 30 EGEARN C#CCOc1ccc(C=NNc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000035151606 213011171 /nfs/dbraw/zinc/01/11/71/213011171.db2.gz SOQDFSCTEVCCBN-PDGQHHTCSA-N 0 0 325.324 3.061 50 30 EGEARN N#Cc1cccc(N2CCC[C@](CO)(Cc3ccc(F)cc3F)C2)n1 ZINC000071735742 215800278 /nfs/dbraw/zinc/80/02/78/215800278.db2.gz GZVGJBDORPVASG-IBGZPJMESA-N 0 0 343.377 3.053 50 30 EGEARN CCOC(=O)C[C@@]1(C#N)c2ccccc2C=CN1C(=O)c1ccccc1 ZINC000000386964 209565398 /nfs/dbraw/zinc/56/53/98/209565398.db2.gz XCJUFEURDNOFPM-OAQYLSRUSA-N 0 0 346.386 3.485 50 30 EGEARN N#Cc1cccc(C(=O)NCc2ccc([C@H](O)c3ccco3)s2)c1 ZINC000206683320 241047214 /nfs/dbraw/zinc/04/72/14/241047214.db2.gz QWOSTDVQQIOJBA-QGZVFWFLSA-N 0 0 338.388 3.224 50 30 EGEARN C[C@@](O)(CNC(=O)c1cccc(C#N)c1)c1cc2ccccc2s1 ZINC000217498786 241252883 /nfs/dbraw/zinc/25/28/83/241252883.db2.gz UPTWUBBYQIXIDL-LJQANCHMSA-N 0 0 336.416 3.410 50 30 EGEARN CCN(/C=C1\C(=O)C(C)(C)Oc2ccc3ccc(=O)oc3c21)CC ZINC000030734292 284134480 /nfs/dbraw/zinc/13/44/80/284134480.db2.gz BTEOQJVIAZIIEP-QBFSEMIESA-N 0 0 327.380 3.216 50 30 EGEARN CCOC(=O)C1=C(C)NC(=Cc2ccc(Cl)cc2Cl)C1=O ZINC000019892454 212079693 /nfs/dbraw/zinc/07/96/93/212079693.db2.gz GWWAFXZKDRMDQB-SDQBBNPISA-N 0 0 326.179 3.344 50 30 EGEARN COc1ccc(/C=N/N=c2\sc3ccccc3n2C)c(OC)c1 ZINC000015798872 211855137 /nfs/dbraw/zinc/85/51/37/211855137.db2.gz LYZZFMVUZAFKAK-ONMBGNKZSA-N 0 0 327.409 3.192 50 30 EGEARN COc1ccc(/C=C2\Oc3cc(OCC#N)ccc3C2=O)c(OC)c1 ZINC000013768740 211635120 /nfs/dbraw/zinc/63/51/20/211635120.db2.gz WSRIGWFKMPPNDW-NVMNQCDNSA-N 0 0 337.331 3.222 50 30 biogenic EGEARN C=CCn1c(C)c(C)c(S(=O)(=O)c2ccc(C)cc2)c1NC(C)=O ZINC000013720081 211621053 /nfs/dbraw/zinc/62/10/53/211621053.db2.gz IQQCKIUTYNECIR-UHFFFAOYSA-N 0 0 346.452 3.391 50 30 EGEARN COc1cccc(/C=C2/C(C)=NN(c3ccccc3)C2=O)c1OCC#N ZINC000012412784 211371187 /nfs/dbraw/zinc/37/11/87/211371187.db2.gz MOPVCGYUKDWTMJ-LGMDPLHJSA-N 0 0 347.374 3.404 50 30 EGEARN COC(=O)c1cc(-c2ccc(F)cc2)nc2c1c(C)nn2CCC#N ZINC000012396335 211368145 /nfs/dbraw/zinc/36/81/45/211368145.db2.gz MGCJFDRGSKTEFZ-UHFFFAOYSA-N 0 0 338.342 3.246 50 30 EGEARN COc1ccc(C(=O)C2=C(O)C(=O)N(C)[C@H]2c2ccccc2F)cc1 ZINC000005686972 210517972 /nfs/dbraw/zinc/51/79/72/210517972.db2.gz IVEINLILFNDPTH-INIZCTEOSA-N 0 0 341.338 3.042 50 30 EGEARN CC1CCN(CC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)CC1 ZINC000005524014 210482588 /nfs/dbraw/zinc/48/25/88/210482588.db2.gz KVTRMBWBQOOITL-CYBMUJFWSA-N 0 0 331.485 3.415 50 30 EGEARN N=C(NOC(=O)c1ccc(F)cc1)c1ccc(Br)cc1 ZINC000004957583 210339514 /nfs/dbraw/zinc/33/95/14/210339514.db2.gz OVPYGWCZTZCEKD-UHFFFAOYSA-N 0 0 337.148 3.066 50 30 EGEARN C[C@H]1S/C(=N/N=C/c2ccco2)N(Cc2ccc(F)cc2)C1=O ZINC000004939292 210329973 /nfs/dbraw/zinc/32/99/73/210329973.db2.gz PUNDVMYMRBBBEF-TWRKLKJHSA-N 0 0 331.372 3.273 50 30 EGEARN N#Cc1c(SCC(=O)C2CC2)nsc1SCC(=O)C1CC1 ZINC000004871579 210310041 /nfs/dbraw/zinc/31/00/41/210310041.db2.gz XBPIJVXNWKCBCM-UHFFFAOYSA-N 0 0 338.479 3.157 50 30 EGEARN COc1cccc(/C=C/c2nc(C#N)c(N3C[C@@H](C)O[C@H](C)C3)o2)c1 ZINC000004867245 210306615 /nfs/dbraw/zinc/30/66/15/210306615.db2.gz ZIUYEJDSIHAVFE-GODNBWANSA-N 0 0 339.395 3.339 50 30 EGEARN O=c1c2[nH]c3ccc(Cl)cc3c2ncn1/N=C/c1ccc(O)cc1 ZINC000000545881 285207025 /nfs/dbraw/zinc/20/70/25/285207025.db2.gz LKMYJAQRRXWVKQ-DNTJNYDQSA-N 0 0 338.754 3.119 50 30 EGEARN C=CCn1c(SCC(=O)Nc2ccc(Cl)cn2)nnc1C1CC1 ZINC000006741028 258044465 /nfs/dbraw/zinc/04/44/65/258044465.db2.gz VDVOTITVLXNVIG-UHFFFAOYSA-N 0 0 349.847 3.121 50 30 EGEARN C=CCN(Cc1cccnc1)C(=O)CC(=O)Nc1cc(C)cc(C)c1 ZINC000065428246 258012136 /nfs/dbraw/zinc/01/21/36/258012136.db2.gz NTCCXPYOVXANAI-UHFFFAOYSA-N 0 0 337.423 3.242 50 30 EGEARN COc1ccc(OCC(=O)Nc2sc3c(c2C#N)CCC3)cc1 ZINC000002996868 258050292 /nfs/dbraw/zinc/05/02/92/258050292.db2.gz NNLRXMJQQNKZFZ-UHFFFAOYSA-N 0 0 328.393 3.135 50 30 EGEARN CCOc1ccc(NC(=O)N(C)CCc2c(C)n[nH]c2C)cc1C#N ZINC000299765335 258080250 /nfs/dbraw/zinc/08/02/50/258080250.db2.gz ACBCCHYNEORCTF-UHFFFAOYSA-N 0 0 341.415 3.003 50 30 EGEARN C=CC[C@@H]1CC=C[C@@H](c2ccccc2)N1C(=O)c1cc2n(n1)CCNC2 ZINC000065384424 276907633 /nfs/dbraw/zinc/90/76/33/276907633.db2.gz OCFOXIYCEGXQCH-XLIONFOSSA-N 0 0 348.450 3.074 50 30 EGEARN O=C1CN2C(=C1c1nc3ccccc3s1)NC(=O)c1ccccc12 ZINC000101157240 280265138 /nfs/dbraw/zinc/26/51/38/280265138.db2.gz WFVCDCIFZOAVKF-UHFFFAOYSA-N 0 0 333.372 3.372 50 30 EGEARN N#C[C@H]1Cn2c(nc3c(c2=O)C2(CCCC2)Cc2ccccc2-3)S1 ZINC000000187126 452530875 /nfs/dbraw/zinc/53/08/75/452530875.db2.gz IFGXGQPWAMQGSM-ZDUSSCGKSA-N 0 0 335.432 3.276 50 30 EGEARN CCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1cccc(Cl)c1 ZINC000000196641 452533298 /nfs/dbraw/zinc/53/32/98/452533298.db2.gz JYXNWRVDKRYTIA-CQSZACIVSA-N 0 0 347.798 3.194 50 30 EGEARN N#Cc1c2c(sc1NC(=O)CSc1ncccn1)CCCC2 ZINC000000469966 452602690 /nfs/dbraw/zinc/60/26/90/452602690.db2.gz CHAANZMTHFOIAO-UHFFFAOYSA-N 0 0 330.438 3.019 50 30 EGEARN COc1cccc(/C=N/NC(=S)Nc2cccc(Cl)c2)c1O ZINC000000731165 452633873 /nfs/dbraw/zinc/63/38/73/452633873.db2.gz XZHWGPFENLIUTI-RQZCQDPDSA-N 0 0 335.816 3.375 50 30 EGEARN N#Cc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)cc1 ZINC000001098614 452644268 /nfs/dbraw/zinc/64/42/68/452644268.db2.gz BQUARQVQBYSCGT-CYBMUJFWSA-N 0 0 339.782 3.203 50 30 EGEARN O=C1c2ccccc2C2=NC(=S)N[C@@H](c3ccc(Cl)cc3)C12 ZINC000001390284 452658700 /nfs/dbraw/zinc/65/87/00/452658700.db2.gz QKYPDVVVCBSKTA-AWEZNQCLSA-N 0 0 326.808 3.466 50 30 EGEARN CCc1nc(SCC(=O)NCc2ccccc2)c(C#N)cc1C ZINC000001439231 452665506 /nfs/dbraw/zinc/66/55/06/452665506.db2.gz MMGUNGAKLFWSJF-UHFFFAOYSA-N 0 0 325.437 3.233 50 30 EGEARN O=C(Nc1cccc2nsnc21)C(F)(F)C(F)(F)C(F)(F)F ZINC000002276275 452692316 /nfs/dbraw/zinc/69/23/16/452692316.db2.gz CUQUVABEZLLAKJ-UHFFFAOYSA-N 0 0 347.215 3.463 50 30 EGEARN C=CCNC(=O)c1c(N)n(-c2ccccc2)c2nc3ccccc3nc21 ZINC000002294319 452693318 /nfs/dbraw/zinc/69/33/18/452693318.db2.gz RFKIRQFARNGTLX-UHFFFAOYSA-N 0 0 343.390 3.072 50 30 EGEARN C/C(=C1\C(=O)C[C@H]2[C@@H]1C2(C)C)N1CCN(c2ccc(F)cc2)CC1 ZINC000002407110 452695864 /nfs/dbraw/zinc/69/58/64/452695864.db2.gz FHRJLIBVKIONQH-LXPCWFNBSA-N 0 0 328.431 3.467 50 30 EGEARN O=C(NC(OCCF)(C(F)(F)F)C(F)(F)F)c1ccccc1 ZINC000003152493 452747041 /nfs/dbraw/zinc/74/70/41/452747041.db2.gz DPVWPSOXYZCUMV-UHFFFAOYSA-N 0 0 333.203 3.223 50 30 EGEARN C=C(C)CN1c2ccccc2[C@](O)(CC(=O)c2ccc(F)cc2)C1=O ZINC000004556467 452808366 /nfs/dbraw/zinc/80/83/66/452808366.db2.gz DFKGKMIKXMIVMM-HXUWFJFHSA-N 0 0 339.366 3.209 50 30 EGEARN Cc1cccc(/N=C2/NC(=O)C(Cc3ccccc3[N+](=O)[O-])S2)c1 ZINC000005533045 452882954 /nfs/dbraw/zinc/88/29/54/452882954.db2.gz RRSCHJJCDBRLLU-HNNXBMFYSA-N 0 0 341.392 3.365 50 30 EGEARN COc1c(Cl)cc(Cl)cc1/C=C1\S/C(=N/C(C)=O)NC1=O ZINC000005562614 452885006 /nfs/dbraw/zinc/88/50/06/452885006.db2.gz KNVICWTXJICRNV-WMZJFQQLSA-N 0 0 345.207 3.108 50 30 EGEARN N#Cc1c2c(sc1NC(=O)c1cccc(-n3cnnc3)c1)CCCC2 ZINC000006701875 452972126 /nfs/dbraw/zinc/97/21/26/452972126.db2.gz QJWDANDAFJKIQJ-UHFFFAOYSA-N 0 0 349.419 3.332 50 30 EGEARN C#CCSc1nc2ccccc2n1C(=O)c1ccc2c(c1)OCO2 ZINC000008643089 453219811 /nfs/dbraw/zinc/21/98/11/453219811.db2.gz CKBAFXACQYXSSV-UHFFFAOYSA-N 0 0 336.372 3.179 50 30 EGEARN COc1ccc(/C=C2/S/C(=N/c3ccccc3)NC2=O)cc1O ZINC000013476965 453467099 /nfs/dbraw/zinc/46/70/99/453467099.db2.gz SQXSMLLCDWJNAC-XNTDXEJSSA-N 0 0 326.377 3.292 50 30 EGEARN COc1ccc(/C=C2\Oc3c(ccc([O-])c3C[NH+](C)C)C2=O)cc1 ZINC000013653761 453478704 /nfs/dbraw/zinc/47/87/04/453478704.db2.gz DSXPXGQWHHKIMD-YVLHZVERSA-N 0 0 325.364 3.079 50 30 EGEARN N#Cc1c(I)nc2c(c1C#N)CCCCCC2 ZINC000015109762 453556965 /nfs/dbraw/zinc/55/69/65/453556965.db2.gz SAPUWUVZGUHZMS-UHFFFAOYSA-N 0 0 337.164 3.089 50 30 EGEARN C=CCN1c2ccccc2[C@]2(NCCc3c4ccccc4[nH]c32)C1=O ZINC000020064197 453661509 /nfs/dbraw/zinc/66/15/09/453661509.db2.gz RWYJOGFEAKHHNP-OAQYLSRUSA-N 0 0 329.403 3.090 50 30 biogenic EGEARN C=CCc1cc(-c2nccn2Cc2nccs2)cc(OC)c1O ZINC000082108026 453924417 /nfs/dbraw/zinc/92/44/17/453924417.db2.gz PDVDCPFLVVHENK-UHFFFAOYSA-N 0 0 327.409 3.498 50 30 EGEARN COc1ccc(OC)c(C[C@@H](C#N)C(=O)Nc2ccccc2F)c1 ZINC000057523324 454134608 /nfs/dbraw/zinc/13/46/08/454134608.db2.gz IROQWLYXUSZXII-ZDUSSCGKSA-N 0 0 328.343 3.164 50 30 EGEARN CC(C)Oc1ccccc1-c1cc(-c2cnn(C)c2)c(C#N)c(N)n1 ZINC000071765618 454216856 /nfs/dbraw/zinc/21/68/56/454216856.db2.gz PLIWODQTEOMKJU-UHFFFAOYSA-N 0 0 333.395 3.390 50 30 EGEARN COc1ccc(C2(C(=O)Nc3nnc(C(C)C)[nH]3)CCOCC2)cc1 ZINC000095476882 454219804 /nfs/dbraw/zinc/21/98/04/454219804.db2.gz IFWXPYYIXNHEAR-UHFFFAOYSA-N 0 0 344.415 3.273 50 30 EGEARN CN1C(=O)c2ccccc2[C@H](C(=O)Nc2nc[nH]n2)[C@@H]1c1ccccc1 ZINC000095474271 454219930 /nfs/dbraw/zinc/21/99/30/454219930.db2.gz JUPHXOAVMVZLAO-HOTGVXAUSA-N 0 0 347.378 3.003 50 30 EGEARN CCCCCCCCn1c2nc3ccccn3c(=O)c2cc(C#N)c1=N ZINC000100896424 454468393 /nfs/dbraw/zinc/46/83/93/454468393.db2.gz GTFCPOIOUVJNNG-UHFFFAOYSA-N 0 0 349.438 3.361 50 30 EGEARN C=CCc1cc([C@@H]2CC(=O)Nc3n[nH]cc32)cc(OCC)c1OC ZINC000065432527 454567349 /nfs/dbraw/zinc/56/73/49/454567349.db2.gz LWGTXRYBWUKMLO-ZDUSSCGKSA-N 0 0 327.384 3.020 50 30 EGEARN C=CCOc1ccc(Cl)cc1[C@@H]1CC(=O)NCc2nc(N)sc21 ZINC000065488472 454575711 /nfs/dbraw/zinc/57/57/11/454575711.db2.gz KOCUPPAYUSGRKP-NSHDSACASA-N 0 0 349.843 3.095 50 30 EGEARN CC(C)(C)c1csc([C@@H]2CN(c3ncccc3C#N)CCO2)n1 ZINC000065521594 454582913 /nfs/dbraw/zinc/58/29/13/454582913.db2.gz SPIMQQDQFMLLKN-ZDUSSCGKSA-N 0 0 328.441 3.285 50 30 EGEARN COc1ccc(C(=O)C=CNc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000106014225 454673315 /nfs/dbraw/zinc/67/33/15/454673315.db2.gz UXAMBHPAEUNHPG-KTKRTIGZSA-N 0 0 328.324 3.421 50 30 EGEARN COc1ccc(NC(=O)N(C)[C@@H](C)Cc2ncccc2C)cc1C#N ZINC000426599765 457859998 /nfs/dbraw/zinc/85/99/98/457859998.db2.gz PWORCKZHIHQQEC-AWEZNQCLSA-N 0 0 338.411 3.365 50 30 EGEARN c1nnc2ccc(N=NCc3ccc(OCc4ccccc4)cc3)nn12 ZINC000004939274 518376812 /nfs/dbraw/zinc/37/68/12/518376812.db2.gz HPOATXXXRWPVBZ-UDWIEESQSA-N 0 0 344.378 3.149 50 30 EGEARN C=CCCC(=O)N1CC[C@]2(C1)CCCN(CC1CCCCC1)C2=O ZINC000012455969 518694000 /nfs/dbraw/zinc/69/40/00/518694000.db2.gz HIWPUOAZYVBXQD-FQEVSTJZSA-N 0 0 332.488 3.374 50 30 EGEARN C=CCN(CCSc1ccccc1)C(=O)c1cnc(NCC)nc1 ZINC000055342000 518774786 /nfs/dbraw/zinc/77/47/86/518774786.db2.gz IHUSKTZWFQKDAW-UHFFFAOYSA-N 0 0 342.468 3.329 50 30 EGEARN COc1ccc(C2N=NC(=S)N2N=Cc2cccc(F)c2)cc1 ZINC000239174293 523258481 /nfs/dbraw/zinc/25/84/81/523258481.db2.gz PSHWKEUYQAGHGE-UHFFFAOYSA-N 0 0 328.372 3.264 50 30 EGEARN COc1cccc(NC(=O)[C@@H](C#N)Cc2ccc(OC)c(OC)c2)c1 ZINC000000237189 526196078 /nfs/dbraw/zinc/19/60/78/526196078.db2.gz GBQSKLJRINABSV-CQSZACIVSA-N 0 0 340.379 3.033 50 30 EGEARN Oc1ccccc1N1CCN(C(=S)NCCc2ccccc2)CC1 ZINC000008682785 526373970 /nfs/dbraw/zinc/37/39/70/526373970.db2.gz SVYNDOHPTDCHFN-UHFFFAOYSA-N 0 0 341.480 3.043 50 30 EGEARN N=C(NOC(=O)c1ccc2ccccc2c1)c1cccc([N+](=O)[O-])c1 ZINC000018116612 526810102 /nfs/dbraw/zinc/81/01/02/526810102.db2.gz DFPHGZWLKHBPOM-UHFFFAOYSA-N 0 0 335.319 3.225 50 30 aggregator EGEARN CCN1C=C(C(=O)c2ccccc2)S(=O)(=O)c2cc(F)ccc21 ZINC000067340756 535438181 /nfs/dbraw/zinc/43/81/81/535438181.db2.gz PYBJZWBNEYTATI-UHFFFAOYSA-N 0 0 331.368 3.164 50 30 EGEARN N#Cc1c(Nc2ccccc2)ccn(CC(=O)c2ccccc2)c1=O ZINC000022146821 1291209872 /nfs/dbraw/zinc/20/98/72/1291209872.db2.gz ZHEVEXLECRRLLU-UHFFFAOYSA-N 0 0 329.359 3.346 50 30 EGEARN Cc1nn(CC(=O)Nc2sc3c(c2C#N)CCC3)c(C)c1Cl ZINC000004745649 210267273 /nfs/dbraw/zinc/26/72/73/210267273.db2.gz YEJPAQCGKGHVKC-UHFFFAOYSA-N 0 0 334.832 3.214 50 30 EGEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1cccc(F)c1 ZINC000004719751 210257520 /nfs/dbraw/zinc/25/75/20/210257520.db2.gz DYURMMHZFXOREN-QGZVFWFLSA-N 0 0 329.371 3.357 50 30 EGEARN CC(C)CN(CC#Cc1ccccc1)C(=O)c1c[nH]c(=O)c(Cl)c1 ZINC000055132944 214277609 /nfs/dbraw/zinc/27/76/09/214277609.db2.gz KXGCCIPSNSNLTN-UHFFFAOYSA-N 0 0 342.826 3.178 50 30 EGEARN C=C(C)COc1ccccc1C(=O)NC[C@@H](C)Oc1cccnc1 ZINC000055358780 214311463 /nfs/dbraw/zinc/31/14/63/214311463.db2.gz QRYBGOAQIMOMQY-OAHLLOKOSA-N 0 0 326.396 3.234 50 30 EGEARN CN1c2ccc(Cl)cc2[C@@](O)(CC(=O)C=Cc2ccccc2)C1=O ZINC000004555362 210221127 /nfs/dbraw/zinc/22/11/27/210221127.db2.gz WRWHPSLNOWZFCR-XSBJJCPUSA-N 0 0 341.794 3.177 50 30 EGEARN N#CCC(=O)c1ccc(I)c(C(F)(F)F)c1 ZINC000098211547 219087514 /nfs/dbraw/zinc/08/75/14/219087514.db2.gz JTDKBFCMLPRBHH-UHFFFAOYSA-N 0 0 339.054 3.406 50 30 EGEARN CCOc1ccc(CC(N)=C2C(=O)CC(C)(C)CC2=O)cc1OCC ZINC000100147587 219092519 /nfs/dbraw/zinc/09/25/19/219092519.db2.gz OPVKYXCCIQBLKR-UHFFFAOYSA-N 0 0 345.439 3.198 50 30 EGEARN CC(C)(C)c1ccc(/C=N/NC2=NS(=O)(=O)c3ccccc32)cc1 ZINC000004503555 210206459 /nfs/dbraw/zinc/20/64/59/210206459.db2.gz DFJZUYSMPNVLJT-XDHOZWIPSA-N 0 0 341.436 3.057 50 30 EGEARN CCOc1c(OC)cccc1[C@@H]1CC(=O)NC2=C1C(=O)CC(C)(C)C2 ZINC000004488907 210202614 /nfs/dbraw/zinc/20/26/14/210202614.db2.gz QUKCNDHDBPUENQ-ZDUSSCGKSA-N 0 0 343.423 3.341 50 30 EGEARN CCOc1cc([C@H]2CC(=O)NC3=C2C(=O)CC(C)(C)C3)ccc1O ZINC000004488898 210202120 /nfs/dbraw/zinc/20/21/20/210202120.db2.gz DDQTZQZGODJTJL-GFCCVEGCSA-N 0 0 329.396 3.038 50 30 EGEARN COc1ccc2c(c1)O/C(=C\c1cccc(OC(=O)N(C)C)c1)C2=O ZINC000004339909 210176373 /nfs/dbraw/zinc/17/63/73/210176373.db2.gz XLSNPSXCCHJQQH-YVLHZVERSA-N 0 0 339.347 3.372 50 30 EGEARN Cc1cc(N2CCCC2)ccc1CN=Nc1ncccc1[N+](=O)[O-] ZINC000004106798 210120638 /nfs/dbraw/zinc/12/06/38/210120638.db2.gz SVCDYPPFJRNFLW-XDHOZWIPSA-N 0 0 325.372 3.344 50 30 EGEARN CCn1c2ccccc2c2nnc(N=NCc3ccc(O)cc3)nc21 ZINC000003898148 210087498 /nfs/dbraw/zinc/08/74/98/210087498.db2.gz OZEREDBAPCSGST-YBFXNURJSA-N 0 0 332.367 3.151 50 30 EGEARN C=CCNC(=S)NCCn1c2ccccc2c2c1nc(C)cc2C ZINC000003764144 210073672 /nfs/dbraw/zinc/07/36/72/210073672.db2.gz OBIFGBGYRZQFRH-UHFFFAOYSA-N 0 0 338.480 3.456 50 30 EGEARN N#Cc1cccc(NC(=O)c2ccccc2I)c1 ZINC000003603829 210063516 /nfs/dbraw/zinc/06/35/16/210063516.db2.gz XPVOANIQPHEJEH-UHFFFAOYSA-N 0 0 348.143 3.415 50 30 EGEARN CCSc1ncc(-c2cc(-c3ccc(O)cc3)nc(N)c2C#N)cn1 ZINC000067867060 215234542 /nfs/dbraw/zinc/23/45/42/215234542.db2.gz DWUFPZSHLREAOV-UHFFFAOYSA-N 0 0 349.419 3.477 50 30 EGEARN CC(=O)O/N=C1/c2ccccc2N(Cc2ccc(Cl)cc2)C1=O ZINC000001401127 209740508 /nfs/dbraw/zinc/74/05/08/209740508.db2.gz GFWZEYWIQARPTC-MNDPQUGUSA-N 0 0 328.755 3.154 50 30 EGEARN CC(C)CN1C(=O)c2ccc(C(=O)Nc3cccc(C#N)c3)cc2C1=O ZINC000000452998 209609752 /nfs/dbraw/zinc/60/97/52/209609752.db2.gz LNIIXRREQNSIRE-UHFFFAOYSA-N 0 0 347.374 3.063 50 30 EGEARN O=C1Nc2ccccc2C1=NNC(=Nc1ccccc1)c1ccccn1 ZINC000000135578 209443619 /nfs/dbraw/zinc/44/36/19/209443619.db2.gz LMLVHHSDEHXFDZ-UHFFFAOYSA-N 0 0 341.374 3.297 50 30 EGEARN C[C@@H]1Cc2cc(-n3ccnc3-c3cc(C#CCO)cs3)ccc2O1 ZINC000072408286 216199613 /nfs/dbraw/zinc/19/96/13/216199613.db2.gz KNJDBIXBWHTYSO-CYBMUJFWSA-N 0 0 336.416 3.268 50 30 EGEARN Cc1ccc2nc(SCc3ccccc3)c(/C=N/O)c(=O)n2c1 ZINC000000046530 209388992 /nfs/dbraw/zinc/38/89/92/209388992.db2.gz QYBDDEJVQOIOOJ-GIJQJNRQSA-N 0 0 325.393 3.103 50 30 EGEARN N#Cc1nc(-c2cccc(Cl)c2)oc1NCCCN1CCOCC1 ZINC000020394305 212124162 /nfs/dbraw/zinc/12/41/62/212124162.db2.gz FDIWUBOJZGLQMH-UHFFFAOYSA-N 0 0 346.818 3.001 50 30 EGEARN N#Cc1cc2c(nc1Sc1ccc([N+](=O)[O-])cc1C=O)CCC2 ZINC000013573939 211584142 /nfs/dbraw/zinc/58/41/42/211584142.db2.gz DNTWBEVTIKRBEJ-UHFFFAOYSA-N 0 0 325.349 3.314 50 30 EGEARN CCCn1ncc(C(=O)N2CCC(c3cccc(C#N)c3)CC2)c1C ZINC000091503787 218014439 /nfs/dbraw/zinc/01/44/39/218014439.db2.gz KTRGEOPPFROALI-UHFFFAOYSA-N 0 0 336.439 3.493 50 30 EGEARN C=CCN1CC2(CCC1=O)CCN(C(=O)c1cc(C)cc(C)c1)CC2 ZINC000091586647 218025915 /nfs/dbraw/zinc/02/59/15/218025915.db2.gz JCYNYBUUMSTTTG-UHFFFAOYSA-N 0 0 340.467 3.334 50 30 EGEARN COC1=C[C@]23C[C@H](C[C@H](c4ccc5c(c4)OCO5)[C@H]2C)OC3=CC1=O ZINC000029395822 284755911 /nfs/dbraw/zinc/75/59/11/284755911.db2.gz SXHVHWXETMBKPP-KXXATPMCSA-N 0 0 340.375 3.311 50 30 biogenic,in-vivo EGEARN C/C(=N\OCC(=O)Nc1nc2ccccc2s1)c1ccccc1 ZINC000009350686 211072548 /nfs/dbraw/zinc/07/25/48/211072548.db2.gz LWDBDDIDGSLJDR-UDWIEESQSA-N 0 0 325.393 3.098 50 30 EGEARN COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2C)cc1 ZINC000009089564 211038716 /nfs/dbraw/zinc/03/87/16/211038716.db2.gz IKFHBODSZAZPEZ-KRWDZBQOSA-N 0 0 337.375 3.212 50 30 EGEARN COc1ccccc1C1N=NC(=S)N1N=Cc1sccc1C ZINC000005982093 210571928 /nfs/dbraw/zinc/57/19/28/210571928.db2.gz FZQULUQLJLMSIL-CXUHLZMHSA-N 0 0 330.438 3.495 50 30 EGEARN Cc1ccc(N=NCCc2nnnn2-c2ccc(Cl)cc2)cc1 ZINC000005544050 210484660 /nfs/dbraw/zinc/48/46/60/210484660.db2.gz RFSQNVGFZLOLEC-WOJGMQOQSA-N 0 0 326.791 3.265 50 30 EGEARN C=CCc1cccc(OC)c1OCCn1cnc2ccccc2c1=O ZINC000004845448 210298251 /nfs/dbraw/zinc/29/82/51/210298251.db2.gz HOEHSPGAUUQZBQ-UHFFFAOYSA-N 0 0 336.391 3.213 50 30 EGEARN C=CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000004845107 210297053 /nfs/dbraw/zinc/29/70/53/210297053.db2.gz KUYVLBRFIIEXMG-INIZCTEOSA-N 0 0 328.412 3.341 50 30 EGEARN CN1CCc2c(sc(/N=C/c3c[nH]c4ccccc34)c2C(N)=O)C1 ZINC000004808361 210281764 /nfs/dbraw/zinc/28/17/64/210281764.db2.gz UVLUETGYXKQLMD-ZVBGSRNCSA-N 0 0 338.436 3.067 50 30 EGEARN O=[N+]([O-])c1cccc(/C=N/n2cnnc2SCc2ccccc2)c1 ZINC000000147609 258047775 /nfs/dbraw/zinc/04/77/75/258047775.db2.gz ZJQRSDKVCNVIME-VCHYOVAHSA-N 0 0 339.380 3.361 50 30 EGEARN C=CCCC(=O)N1CC[C@]2(C1)CCCN(Cc1ccccc1F)C2=O ZINC000012031309 258018158 /nfs/dbraw/zinc/01/81/58/258018158.db2.gz NDLBLWINQVUIMH-FQEVSTJZSA-N 0 0 344.430 3.133 50 30 EGEARN CC(C)N1c2ccccc2[C@@](O)(CC(=O)C=Cc2ccccc2)C1=O ZINC000004554694 258051142 /nfs/dbraw/zinc/05/11/42/258051142.db2.gz PZNFMZNHUXXDHA-IWGBCORSSA-N 0 0 335.403 3.302 50 30 EGEARN OC[C@](F)([C@H](F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000095671204 258067306 /nfs/dbraw/zinc/06/73/06/258067306.db2.gz PCGUNVYNJIFBQT-HRFVKAFMSA-N 0 0 332.084 3.420 50 30 EGEARN C=CCNC(=S)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000002771020 452722089 /nfs/dbraw/zinc/72/20/89/452722089.db2.gz UTQYSSFAUYPYEX-UHFFFAOYSA-N 0 0 330.284 3.176 50 30 EGEARN C[C@H]1CCCC[C@@H]1N1CN=C(Nc2nc3ccccc3s2)NC1 ZINC000009011903 279655066 /nfs/dbraw/zinc/65/50/66/279655066.db2.gz FDWGGRWUHUOODU-JSGCOSHPSA-N 0 0 329.473 3.272 50 30 EGEARN COc1cc(C2=NC(C)(C)CC23C=CC(=O)C=C3)cc(OC)c1OC ZINC000004751375 294975028 /nfs/dbraw/zinc/97/50/28/294975028.db2.gz JQJKPHPGHXJQLB-UHFFFAOYSA-N 0 0 341.407 3.365 50 30 EGEARN Cc1nc(S(=O)(=O)N(C)Cc2ccccc2)c(C#N)c(C)c1Cl ZINC000000139658 452518057 /nfs/dbraw/zinc/51/80/57/452518057.db2.gz FDFSZJFAAPCOTA-UHFFFAOYSA-N 0 0 349.843 3.044 50 30 EGEARN C[C@H]1CN(c2c3c(c(C#N)c4nc5ccccc5n42)CCC3)C[C@H](C)O1 ZINC000000183166 452529751 /nfs/dbraw/zinc/52/97/51/452529751.db2.gz ODDCOAJSJSWGGF-KBPBESRZSA-N 0 0 346.434 3.461 50 30 EGEARN COCc1cc(C)nc(SCC(=O)Nc2cccc(C)c2)c1C#N ZINC000000210868 452537324 /nfs/dbraw/zinc/53/73/24/452537324.db2.gz NGABWPIZLVPVEU-UHFFFAOYSA-N 0 0 341.436 3.447 50 30 aggregator EGEARN COc1ccc(/C=N/n2cnc3c4cc(C)ccc4[nH]c3c2=O)cc1 ZINC000000325963 452564548 /nfs/dbraw/zinc/56/45/48/452564548.db2.gz OQVKQWZVZHYYTQ-UFFVCSGVSA-N 0 0 332.363 3.077 50 30 EGEARN CCN1CCN(c2oc(Cc3cccc4ccccc43)nc2C#N)CC1 ZINC000000533638 452616183 /nfs/dbraw/zinc/61/61/83/452616183.db2.gz DDVHZOOQYRQACF-UHFFFAOYSA-N 0 0 346.434 3.432 50 30 EGEARN Cc1ccccc1OCc1nc(C#N)c(NCCCn2ccnc2)o1 ZINC000002203352 452690805 /nfs/dbraw/zinc/69/08/05/452690805.db2.gz KYXXDVMQELOODJ-UHFFFAOYSA-N 0 0 337.383 3.132 50 30 EGEARN CCN(CC)c1nc(Nc2ccc(Cl)cc2)nc(OCC#N)n1 ZINC000002271275 452692022 /nfs/dbraw/zinc/69/20/22/452692022.db2.gz VOAUQLPXJRAWTL-UHFFFAOYSA-N 0 0 332.795 3.017 50 30 EGEARN C=CCNC(=O)c1c(NC(=O)c2ccco2)sc2c1CCCC2 ZINC000002677514 452713775 /nfs/dbraw/zinc/71/37/75/452713775.db2.gz VBKHZCAAWZGJQF-UHFFFAOYSA-N 0 0 330.409 3.388 50 30 EGEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1O ZINC000003071510 452742238 /nfs/dbraw/zinc/74/22/38/452742238.db2.gz IWRKYKIZMKEBJK-KRWDZBQOSA-N 0 0 341.407 3.169 50 30 EGEARN COc1ccc(/C(C)=N/N2CCN(c3ccccc3)CC2)cc1OC ZINC000005605486 452888016 /nfs/dbraw/zinc/88/80/16/452888016.db2.gz JNDRMBUOAAASLC-LTGZKZEYSA-N 0 0 339.439 3.250 50 30 EGEARN COc1cccc(C=NN2C(=S)N=NC2c2ccc(F)cc2)c1 ZINC000005911330 452909887 /nfs/dbraw/zinc/90/98/87/452909887.db2.gz QBCKTNWQUPFJDR-VCHYOVAHSA-N 0 0 328.372 3.264 50 30 EGEARN C[C@H]1S/C(=N\N=C\c2ccco2)N(Cc2ccc(F)cc2)C1=O ZINC000006409364 452943499 /nfs/dbraw/zinc/94/34/99/452943499.db2.gz PUNDVMYMRBBBEF-MWIMKKNQSA-N 0 0 331.372 3.273 50 30 EGEARN Cc1ccc(C[C@H]2S/C(=N/N=C/c3cccs3)NC2=O)cc1 ZINC000013552781 453469766 /nfs/dbraw/zinc/46/97/66/453469766.db2.gz PCLIZMOSWCLVTC-NGWPFTMJSA-N 0 0 329.450 3.221 50 30 EGEARN CC1(C)Cc2c(C#N)c(NCCO)nc(-c3ccco3)c2CS1 ZINC000013757328 453488666 /nfs/dbraw/zinc/48/86/66/453488666.db2.gz DQQPZNOOMDBNRI-UHFFFAOYSA-N 0 0 329.425 3.185 50 30 EGEARN CC(C)NC(=NS(=O)(=O)c1ccccc1)C(Cl)(Cl)Cl ZINC000015986390 453590439 /nfs/dbraw/zinc/59/04/39/453590439.db2.gz DACRAQACYIOEFP-UHFFFAOYSA-N 0 0 343.663 3.142 50 30 EGEARN CC(=O)C1=C(O)C(=O)N(CCc2ccccc2)[C@H]1c1ccccc1F ZINC000018060188 453641817 /nfs/dbraw/zinc/64/18/17/453641817.db2.gz IDLNJQABRGYBMU-FDWYHIAWSA-N 0 0 339.366 3.353 50 30 EGEARN N#Cc1nc(COc2ccc3c(c2)OCO3)oc1N1CCCCCC1 ZINC000032105627 453864626 /nfs/dbraw/zinc/86/46/26/453864626.db2.gz VYMOMAKLUAEYHD-UHFFFAOYSA-N 0 0 341.367 3.234 50 30 EGEARN N#Cc1ccc(-c2nc([C@@H]3CC(=O)N(c4cccc(F)c4)C3)no2)cc1 ZINC000044213948 454092293 /nfs/dbraw/zinc/09/22/93/454092293.db2.gz QJPIXDXTGCTYDK-CQSZACIVSA-N 0 0 348.337 3.268 50 30 EGEARN N#Cc1nc(-c2ccco2)oc1N1CCN(Cc2ccccc2)CC1 ZINC000057334278 454120710 /nfs/dbraw/zinc/12/07/10/454120710.db2.gz HAMNLVCHMBVYCU-UHFFFAOYSA-N 0 0 334.379 3.128 50 30 EGEARN COC(=O)c1cccc(NC=CC(=O)c2ccc(OC)c(OC)c2)c1 ZINC000044843641 454121680 /nfs/dbraw/zinc/12/16/80/454121680.db2.gz AXUVOCVQJXCDIJ-MDZDMXLPSA-N 0 0 341.363 3.299 50 30 EGEARN CCn1nc(C)c(-c2cc(-c3ccc(O)cc3)c(C#N)c(N)n2)c1C ZINC000071771533 454216997 /nfs/dbraw/zinc/21/69/97/454216997.db2.gz XESYASOHSIGXPL-UHFFFAOYSA-N 0 0 333.395 3.408 50 30 EGEARN COc1cc(N=C2NC(=O)SC2=Cc2cnn(C)c2)cc(OC)c1 ZINC000095473981 454219351 /nfs/dbraw/zinc/21/93/51/454219351.db2.gz OOLXYHZENFIQGH-LNKIKWGQSA-N 0 0 344.396 3.169 50 30 EGEARN COc1ccc(C(=O)C=CNc2ccc3c(c2)OCO3)cc1OC ZINC000102816434 454521716 /nfs/dbraw/zinc/52/17/16/454521716.db2.gz RFHCRAKOXLLWSR-BQYQJAHWSA-N 0 0 327.336 3.241 50 30 EGEARN CC(C)(C)c1cnc(CN2CC[C@@H](CNc3ncccc3C#N)C2)o1 ZINC000065512148 454580661 /nfs/dbraw/zinc/58/06/61/454580661.db2.gz UVPXFJNSHWHBGC-AWEZNQCLSA-N 0 0 339.443 3.173 50 30 EGEARN N#Cc1cc(F)c(I)cc1Br ZINC000258833850 455899318 /nfs/dbraw/zinc/89/93/18/455899318.db2.gz MNZGJBCWWSKZQD-UHFFFAOYSA-N 0 0 325.906 3.064 50 30 EGEARN COCCN1C[C@@H](Cc2ccc(C3(C#N)CCCC3)cc2)CC1=O ZINC000219810297 456036363 /nfs/dbraw/zinc/03/63/63/456036363.db2.gz HMGUSQUBDFNTMO-KRWDZBQOSA-N 0 0 326.440 3.059 50 30 EGEARN C=CCSc1nnc(CNC(=O)c2ccc(Cl)cc2)n1CC ZINC000005912091 519085355 /nfs/dbraw/zinc/08/53/55/519085355.db2.gz SLEYGBSGUILAFB-UHFFFAOYSA-N 0 0 336.848 3.160 50 30 EGEARN CCCCCCN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1ccccc1[N+](=O)[O-] ZINC000002060966 520076379 /nfs/dbraw/zinc/07/63/79/520076379.db2.gz XZGPEEJTXHVZCV-INIZCTEOSA-N 0 0 346.383 3.460 50 30 EGEARN CCOc1cc(/C=N/N=C/c2ccc(O)c(OCC)c2)ccc1O ZINC000001751188 520639770 /nfs/dbraw/zinc/63/97/70/520639770.db2.gz PELLUKWQMGVZFR-AYKLPDECSA-N 0 0 328.368 3.348 50 30 EGEARN CCOC(=O)c1ccc(NC=CC(=O)c2ccc3c(c2)OCO3)cc1 ZINC000005796446 521480016 /nfs/dbraw/zinc/48/00/16/521480016.db2.gz WCRNJFBMDPWTAY-MDZDMXLPSA-N 0 0 339.347 3.401 50 30 EGEARN 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