smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#CC(CC[NH+]1CCC(C(=O)[O-])(c2ccccc2)CC1)(c1ccccc1)c1ccccc1 ZINC000000601317 558827771 /nfs/dbraw/zinc/82/77/71/558827771.db2.gz UFIVBRCCIRTJTN-UHFFFAOYSA-N 0 0 424.544 5.005 40 30 fda HKEBRN COC(=O)CSc1nc(-c2ccc(C)cc2)cc(-c2ccc(Cl)cc2)c1C#N ZINC000000648162 569383996 /nfs/dbraw/zinc/38/39/96/569383996.db2.gz UIIWIBBBMKEALD-UHFFFAOYSA-N 0 0 408.910 5.514 40 30 HKEBRN COc1cccc(Oc2ccc(NC=CC(=O)c3ccc(OC)c(OC)c3)cc2)c1 ZINC000000664202 569032921 /nfs/dbraw/zinc/03/29/21/569032921.db2.gz FDOAYTBLBUJUMW-BUHFOSPRSA-N 0 0 405.450 5.313 40 30 HKEBRN CCOc1ccccc1C1C2=C(CC(C)(C)CC2=O)N(C)C2=C1C(=O)CC(C)(C)C2 ZINC000000780211 568417257 /nfs/dbraw/zinc/41/72/57/568417257.db2.gz GVBVMBVQZNQDHS-UHFFFAOYSA-N 0 0 407.554 5.401 40 30 HKEBRN CCOc1cccc(C2C3=C(CC(C)(C)CC3=O)N(C)C3=C2C(=O)CC(C)(C)C3)c1 ZINC000000780212 568417277 /nfs/dbraw/zinc/41/72/77/568417277.db2.gz VZHLMZHLKGXEND-UHFFFAOYSA-N 0 0 407.554 5.401 40 30 HKEBRN CCOc1ccc(C2C3=C(CC(C)(C)CC3=O)N(C)C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000000780214 568417271 /nfs/dbraw/zinc/41/72/71/568417271.db2.gz XGGIJLNZIJBNKQ-UHFFFAOYSA-N 0 0 407.554 5.401 40 30 HKEBRN CCN1C2=C(C(=O)CC(C)(C)C2)C(c2ccccc2OC)C2=C1CC(C)(C)CC2=O ZINC000000780237 568417249 /nfs/dbraw/zinc/41/72/49/568417249.db2.gz HLUUVVFJVAYPEU-UHFFFAOYSA-N 0 0 407.554 5.401 40 30 HKEBRN CCN1C2=C(C(=O)CC(C)(C)C2)C(c2cccc(OC)c2)C2=C1CC(C)(C)CC2=O ZINC000000780238 568417244 /nfs/dbraw/zinc/41/72/44/568417244.db2.gz FRBQLFQBOMBZOJ-UHFFFAOYSA-N 0 0 407.554 5.401 40 30 HKEBRN Cc1ccc2cc(C#N)c(SCC(=O)Nc3cccc(Cl)c3Cl)nc2c1 ZINC000000786900 568474570 /nfs/dbraw/zinc/47/45/70/568474570.db2.gz OTLDUJMBUFIVDY-UHFFFAOYSA-N 0 0 402.306 5.453 40 30 HKEBRN Cc1ccc2cc(C#N)c(SCC(=O)Nc3cc(Cl)ccc3Cl)nc2c1 ZINC000000786904 568474545 /nfs/dbraw/zinc/47/45/45/568474545.db2.gz PLNFHHACKAXBHR-UHFFFAOYSA-N 0 0 402.306 5.453 40 30 HKEBRN Cc1ccc2cc(C#N)c(SCC(=O)Nc3ccc(Cl)c(Cl)c3)nc2c1 ZINC000000786911 568474557 /nfs/dbraw/zinc/47/45/57/568474557.db2.gz WDHQQXPUJIXFBM-UHFFFAOYSA-N 0 0 402.306 5.453 40 30 HKEBRN CCOc1c(Cl)cc(C2C3=C(CCCC3=O)N(C)C3=C2C(=O)CCC3)cc1Cl ZINC000000792218 559279529 /nfs/dbraw/zinc/27/95/29/559279529.db2.gz ITJVHBKOOGDHPY-UHFFFAOYSA-N 0 0 420.336 5.435 40 30 HKEBRN COc1cccc(/C=N/c2ccc3oc(-c4ccccc4Br)nc3c2)c1O ZINC000000793455 559279716 /nfs/dbraw/zinc/27/97/16/559279716.db2.gz DHYWJZNBFFQLEU-FSJBWODESA-N 0 0 423.266 5.722 40 30 HKEBRN O=C1Nc2ccccc2Oc2ccc(/N=C/c3cc(Br)ccc3O)cc21 ZINC000000793499 559279710 /nfs/dbraw/zinc/27/97/10/559279710.db2.gz MXLOBXOIDXVGHB-SSDVNMTOSA-N 0 0 409.239 5.263 40 30 HKEBRN COc1cc(-c2nc3ccccn3c2/N=C/c2c(Cl)cccc2Cl)ccc1O ZINC000000793501 559279694 /nfs/dbraw/zinc/27/96/94/559279694.db2.gz FHPNUWGCXATXKF-WYMPLXKRSA-N 0 0 412.276 5.773 40 30 HKEBRN CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1c(O)cccc1Cl ZINC000000794664 559279793 /nfs/dbraw/zinc/27/97/93/559279793.db2.gz ZOUQKTHFJWCFIT-UHFFFAOYSA-N 0 0 400.902 5.446 40 30 HKEBRN Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3sc4c(c3C#N)CCCC4)cc12 ZINC000000796317 568478434 /nfs/dbraw/zinc/47/84/34/568478434.db2.gz AKGCTRWGBXOWDL-UHFFFAOYSA-N 0 0 418.547 5.460 40 30 HKEBRN O=[N+]([O-])c1cccc(/C=N/c2ccc3oc(-c4ccccc4Br)nc3c2)c1 ZINC000000802223 559280294 /nfs/dbraw/zinc/28/02/94/559280294.db2.gz POQPHXSFHDMWKZ-WSDLNYQXSA-N 0 0 422.238 5.916 40 30 HKEBRN COc1cc(Cl)cc(/C=N/c2cc(-c3nc4c(cccc4C)o3)ccc2C)c1O ZINC000000802227 559280258 /nfs/dbraw/zinc/28/02/58/559280258.db2.gz DXKMXQYTCJXFIL-BRJLIKDPSA-N 0 0 406.869 6.230 40 30 HKEBRN O=[N+]([O-])c1cc2c(cc1/C=N/c1ccc3oc(-c4ccccc4F)nc3c1)OCO2 ZINC000000802272 527341369 /nfs/dbraw/zinc/34/13/69/527341369.db2.gz WIXHNQLMLKPKPY-AUEPDCJTSA-N 0 0 405.341 5.021 40 30 HKEBRN N#Cc1c2c(sc1NC(=O)c1cc(-c3ccc(Cl)cc3Cl)on1)CCC2 ZINC000000815151 568490076 /nfs/dbraw/zinc/49/00/76/568490076.db2.gz YPNKKZNKMMCAJG-UHFFFAOYSA-N 0 0 404.278 5.323 40 30 HKEBRN COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)Nc1ccccc1N[C@@H]2c1ccc(C(C)C)cc1 ZINC000000815890 560554567 /nfs/dbraw/zinc/55/45/67/560554567.db2.gz BPBWXYUJJPCQEA-PNDGYVOYSA-N 0 0 404.510 5.041 40 30 HKEBRN CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(Cl)cc2Cl)C2=C(CC(C)(C)CC2=O)N1 ZINC000000820504 559281331 /nfs/dbraw/zinc/28/13/31/559281331.db2.gz HCPATLLVCBOPRC-LJQANCHMSA-N 0 0 422.352 5.549 40 30 HKEBRN CC1=C(C(=O)OC(C)C)[C@H](c2ccc(Cl)cc2Cl)C2=C(CC(C)(C)CC2=O)N1 ZINC000000820505 559281343 /nfs/dbraw/zinc/28/13/43/559281343.db2.gz HCPATLLVCBOPRC-IBGZPJMESA-N 0 0 422.352 5.549 40 30 HKEBRN CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(Cl)c(Cl)c2)C2=C(CC(C)(C)CC2=O)N1 ZINC000000820512 559281256 /nfs/dbraw/zinc/28/12/56/559281256.db2.gz SAVFYTRXZAKODP-LJQANCHMSA-N 0 0 422.352 5.549 40 30 HKEBRN CC1=C(C(=O)OC(C)C)[C@H](c2ccc(Cl)c(Cl)c2)C2=C(CC(C)(C)CC2=O)N1 ZINC000000820513 559281339 /nfs/dbraw/zinc/28/13/39/559281339.db2.gz SAVFYTRXZAKODP-IBGZPJMESA-N 0 0 422.352 5.549 40 30 HKEBRN Cc1cc(Nc2ccc(I)cc2)n2c3ccccc3nc2c1C#N ZINC000000820711 568497849 /nfs/dbraw/zinc/49/78/49/568497849.db2.gz NSMMHSCOZINXAB-UHFFFAOYSA-N 0 0 424.245 5.016 40 30 HKEBRN Oc1ccc(/C=N/c2ccc3oc(-c4ccccc4Br)nc3c2)c(O)c1 ZINC000000821765 559281287 /nfs/dbraw/zinc/28/12/87/559281287.db2.gz VWQWDXMOCBSVOC-SSDVNMTOSA-N 0 0 409.239 5.419 40 30 HKEBRN Brc1cccc(-c2ccc(/C=N/c3ccc(N4CCOCC4)cc3)o2)c1 ZINC000000821774 569032933 /nfs/dbraw/zinc/03/29/33/569032933.db2.gz HTBIXTZTUGIWKS-HZHRSRAPSA-N 0 0 411.299 5.296 40 30 HKEBRN Cc1ccc2oc(-c3ccc(/N=C/c4ccc(-c5ccccc5[N+](=O)[O-])o4)cc3)nc2c1 ZINC000000824722 559281576 /nfs/dbraw/zinc/28/15/76/559281576.db2.gz JSORAKBESPRUQL-CVKSISIWSA-N 0 0 423.428 6.722 40 30 HKEBRN Cc1cc2nc(-c3cccc(/N=C/c4cc5c(cc4[N+](=O)[O-])OCO5)c3)oc2c(C)c1 ZINC000000826436 559281641 /nfs/dbraw/zinc/28/16/41/559281641.db2.gz FNOMZLZWERJEEM-BHGWPJFGSA-N 0 0 415.405 5.499 40 30 HKEBRN O=C1CCCC2=C1[C@@H](c1cc(Br)ccc1O)Nc1ccc3ccccc3c12 ZINC000000828703 559281768 /nfs/dbraw/zinc/28/17/68/559281768.db2.gz NAIRIVSADZDCEB-HSZRJFAPSA-N 0 0 420.306 5.981 40 30 HKEBRN O=C1CCCC2=C1[C@H](c1cc(Br)ccc1O)Nc1ccc3ccccc3c12 ZINC000000828704 559281766 /nfs/dbraw/zinc/28/17/66/559281766.db2.gz NAIRIVSADZDCEB-QHCPKHFHSA-N 0 0 420.306 5.981 40 30 HKEBRN Cc1cc(/C=N/c2ccc(O)cc2)c(C)n1-c1ccc(I)cc1 ZINC000000829449 560725915 /nfs/dbraw/zinc/72/59/15/560725915.db2.gz PPEGNXRARICXME-CIAFOILYSA-N 0 0 416.262 5.155 40 30 HKEBRN Cc1ccc2nc(SCC(=O)Nc3cc(Cl)ccc3Cl)c(C#N)cc2c1 ZINC000000832532 568501478 /nfs/dbraw/zinc/50/14/78/568501478.db2.gz RTKWAYFOQSRWJL-UHFFFAOYSA-N 0 0 402.306 5.453 40 30 HKEBRN COc1ccc(OC)c(/C=N/c2nc(-c3ccc(Br)cc3)cs2)c1 ZINC000000832789 559282138 /nfs/dbraw/zinc/28/21/38/559282138.db2.gz NVFSFHWYEXLAPZ-KEBDBYFISA-N 0 0 403.301 5.340 40 30 HKEBRN CCN(CC)c1ccc(/N=C/c2cc(C)n(-c3ccc(OC(C)=O)cc3)c2C)cc1 ZINC000000843374 557098318 /nfs/dbraw/zinc/09/83/18/557098318.db2.gz IETHPCTWYDUXPN-YZSQISJMSA-N 0 0 403.526 5.616 40 30 HKEBRN CC(=O)Oc1ccc(-n2c(C)cc(/C=N/c3sc4c(c3C#N)CCCC4)c2C)cc1 ZINC000000843376 559288258 /nfs/dbraw/zinc/28/82/58/559288258.db2.gz BXWXRNLJVWPEBG-VULFUBBASA-N 0 0 417.534 5.582 40 30 HKEBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3cccc(C(=O)OCC)c3)c2C)cc1 ZINC000000843459 559288282 /nfs/dbraw/zinc/28/82/82/559288282.db2.gz GOCWWSQOFLXQLP-WGOQTCKBSA-N 0 0 418.493 5.198 40 30 HKEBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccc(C)c([N+](=O)[O-])c3)c2C)cc1 ZINC000000843463 559288321 /nfs/dbraw/zinc/28/83/21/559288321.db2.gz JPZSBOKZNDIKNH-ZVHZXABRSA-N 0 0 405.454 5.238 40 30 HKEBRN c1ccc2c(c1)ccc(Cc1ccc3ccccc3c1OC[C@H]1CO1)c2OC[C@H]1CO1 ZINC000000856541 559289746 /nfs/dbraw/zinc/28/97/46/559289746.db2.gz OCTGJOAYIZMTFA-DHIUTWEWSA-N 0 0 412.485 5.139 40 30 HKEBRN c1ccc2c(c1)ccc(Cc1ccc3ccccc3c1OC[C@@H]1CO1)c2OC[C@@H]1CO1 ZINC000000856544 559289763 /nfs/dbraw/zinc/28/97/63/559289763.db2.gz OCTGJOAYIZMTFA-GOTSBHOMSA-N 0 0 412.485 5.139 40 30 HKEBRN COc1cc(Br)cc(/C=N/c2ccc3oc(-c4ccccc4)nc3c2)c1O ZINC000000859610 559290430 /nfs/dbraw/zinc/29/04/30/559290430.db2.gz JDSOEKBUDOMPPG-FSJBWODESA-N 0 0 423.266 5.722 40 30 HKEBRN O=[N+]([O-])c1cccc(-c2nc3ccccn3c2/N=C/c2ccc(Cl)cc2Cl)c1 ZINC000000863101 559291361 /nfs/dbraw/zinc/29/13/61/559291361.db2.gz WZWBBRMHTNDOGZ-FSJBWODESA-N 0 0 411.248 5.967 40 30 HKEBRN N#Cc1c(-c2ccc(Cl)cc2)cc(-c2ccc(Cl)cc2)nc1SCC(N)=O ZINC000000863294 559291304 /nfs/dbraw/zinc/29/13/04/559291304.db2.gz JQHPRMKUHZMMIJ-UHFFFAOYSA-N 0 0 414.317 5.171 40 30 HKEBRN COc1ccc(-c2nc3ccccc3o2)cc1/N=C/c1c(O)cc(C)c(Cl)c1C ZINC000000864865 559292236 /nfs/dbraw/zinc/29/22/36/559292236.db2.gz SEPSULQSQRHKNA-BRJLIKDPSA-N 0 0 406.869 6.230 40 30 HKEBRN Cc1ccc2nc(-c3ccc(C)c(/N=C/c4cc5c(cc4Cl)OCO5)c3)oc2c1 ZINC000000868337 559293096 /nfs/dbraw/zinc/29/30/96/559293096.db2.gz BXOYSUGSEULVKK-OPEKNORGSA-N 0 0 404.853 6.244 40 30 HKEBRN Cc1c(C#N)c(NC(=O)Cc2ccc(Cl)cc2)sc1C(=O)Nc1ccccc1C ZINC000000870713 568726102 /nfs/dbraw/zinc/72/61/02/568726102.db2.gz NNLZXFZURFSXTE-UHFFFAOYSA-N 0 0 423.925 5.324 40 30 HKEBRN Cc1c(C#N)c(NC(=O)c2cccc(Cl)c2)sc1C(=O)Nc1ccccc1C ZINC000000870717 568726126 /nfs/dbraw/zinc/72/61/26/568726126.db2.gz XTCDGKZCIYDBGM-UHFFFAOYSA-N 0 0 409.898 5.395 40 30 HKEBRN Cc1c(C#N)c(NC(=O)c2cccc(Cl)c2)sc1C(=O)Nc1ccccc1F ZINC000000871234 560536093 /nfs/dbraw/zinc/53/60/93/560536093.db2.gz VTSQDSZXYUXVHO-UHFFFAOYSA-N 0 0 413.861 5.225 40 30 HKEBRN Cc1c(C#N)c(NC(=O)c2cccc(F)c2)sc1C(=O)Nc1cccc(C)c1C ZINC000000871272 568726031 /nfs/dbraw/zinc/72/60/31/568726031.db2.gz ZYRUCONABZZOEL-UHFFFAOYSA-N 0 0 407.470 5.189 40 30 HKEBRN Cc1c(C#N)c(NC(=O)c2cccc(C)c2)sc1C(=O)Nc1cccc(C)c1C ZINC000000871390 568726270 /nfs/dbraw/zinc/72/62/70/568726270.db2.gz CSXBMYWCXGPRRA-UHFFFAOYSA-N 0 0 403.507 5.358 40 30 HKEBRN Cc1c(C#N)c(NC(=O)c2ccc(Cl)cc2)sc1C(=O)Nc1cccc(C)c1C ZINC000000871507 568726279 /nfs/dbraw/zinc/72/62/79/568726279.db2.gz MCZMOXYJGXKTQN-UHFFFAOYSA-N 0 0 423.925 5.703 40 30 HKEBRN COc1ccccc1C(=O)Nc1sc(C(=O)Nc2cccc(C)c2C)c(C)c1C#N ZINC000000871523 568726337 /nfs/dbraw/zinc/72/63/37/568726337.db2.gz VKXUNEPRCCFQBZ-UHFFFAOYSA-N 0 0 419.506 5.058 40 30 HKEBRN Cc1c(C#N)c(NC(=O)Cc2cccs2)sc1C(=O)Nc1cccc(C)c1C ZINC000000871570 568726358 /nfs/dbraw/zinc/72/63/58/568726358.db2.gz PPLQOYRAFGDBBW-UHFFFAOYSA-N 0 0 409.536 5.040 40 30 HKEBRN COc1ccc(C(=O)Nc2sc(C(=O)Nc3cccc(C)c3C)c(C)c2C#N)cc1 ZINC000000871576 568726222 /nfs/dbraw/zinc/72/62/22/568726222.db2.gz VICADVKGJSYJSF-UHFFFAOYSA-N 0 0 419.506 5.058 40 30 HKEBRN COc1cccc(C(=O)Nc2sc(C(=O)Nc3cccc(C)c3C)c(C)c2C#N)c1 ZINC000000871589 568726296 /nfs/dbraw/zinc/72/62/96/568726296.db2.gz PYDZRMWLMKXOIO-UHFFFAOYSA-N 0 0 419.506 5.058 40 30 HKEBRN Cc1c(C#N)c(NC(=O)c2ccc(C)cc2)sc1C(=O)Nc1cccc(C)c1C ZINC000000872002 568726218 /nfs/dbraw/zinc/72/62/18/568726218.db2.gz HYWYZQQFUAMVBB-UHFFFAOYSA-N 0 0 403.507 5.358 40 30 HKEBRN Cc1c(C#N)c(NC(=O)c2ccccc2F)sc1C(=O)Nc1cccc(C)c1C ZINC000000872011 568726334 /nfs/dbraw/zinc/72/63/34/568726334.db2.gz NKCZPWVDGBXGRV-UHFFFAOYSA-N 0 0 407.470 5.189 40 30 HKEBRN Cc1c(C#N)c(NC(=O)c2ccc(Cl)cc2Cl)sc1C(=O)N1CCCCC1 ZINC000000872021 568726260 /nfs/dbraw/zinc/72/62/60/568726260.db2.gz FZZUNHHTROEYKZ-UHFFFAOYSA-N 0 0 422.337 5.113 40 30 HKEBRN CCOC(=O)c1c(/N=C/c2cc(Br)ccc2O)sc2c1CC[C@H](C)C2 ZINC000000873336 560536571 /nfs/dbraw/zinc/53/65/71/560536571.db2.gz CSIIRWICTOESQE-JYQBEENSSA-N 0 0 422.344 5.268 40 30 HKEBRN CCOC(=O)c1c(/N=C/c2cc(Br)ccc2O)sc2c1CC[C@@H](C)C2 ZINC000000873338 560536557 /nfs/dbraw/zinc/53/65/57/560536557.db2.gz CSIIRWICTOESQE-OHBSIKEHSA-N 0 0 422.344 5.268 40 30 HKEBRN Cc1ccc2nc(SCC(=O)Nc3sc4c(c3C#N)CCCC4)c(C)cc2c1 ZINC000000887544 568736794 /nfs/dbraw/zinc/73/67/94/568736794.db2.gz VTGBSPDYONDFTQ-UHFFFAOYSA-N 0 0 407.564 5.394 40 30 HKEBRN Cc1cc(C)c(C#N)c(SCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)n1 ZINC000000888416 568736912 /nfs/dbraw/zinc/73/69/12/568736912.db2.gz OKZJFJWOYCQNSO-UHFFFAOYSA-N 0 0 400.718 5.261 40 30 HKEBRN Cc1ccc2cc(C#N)c(SCC(=O)N(c3ccccc3)c3ccccc3)nc2c1 ZINC000000899128 568740769 /nfs/dbraw/zinc/74/07/69/568740769.db2.gz ANRBESOTQBUDJQ-UHFFFAOYSA-N 0 0 409.514 5.872 40 30 HKEBRN Cc1ccc(C(=O)CSc2nc(C)cc(SCc3ccc(C#N)cc3)n2)cc1 ZINC000000900037 568741104 /nfs/dbraw/zinc/74/11/04/568741104.db2.gz PCUCDULRKJTKJK-UHFFFAOYSA-N 0 0 405.548 5.232 40 30 HKEBRN Cc1cc(O)c(/C=N/c2cccc(NC(=O)c3ccccc3Cl)c2)c(C)c1Cl ZINC000000903972 560544869 /nfs/dbraw/zinc/54/48/69/560544869.db2.gz URZHWYKZMUJQST-BRJLIKDPSA-N 0 0 413.304 6.319 40 30 HKEBRN CCn1c(-c2ccccc2)cnc1SCC(=O)c1sc2c(c1C#N)CCCC2 ZINC000000924737 568750561 /nfs/dbraw/zinc/75/05/61/568750561.db2.gz UGYMGYQNZBFIRR-UHFFFAOYSA-N 0 0 407.564 5.357 40 30 HKEBRN N#Cc1c(NC(=O)COc2ccc(OCc3ccccc3)cc2)sc2c1CCCC2 ZINC000000936455 526529893 /nfs/dbraw/zinc/52/98/93/526529893.db2.gz YDRNLJAPQVHOSD-UHFFFAOYSA-N 0 0 418.518 5.095 40 30 HKEBRN C=CCn1c(SCC(=O)Nc2ccc(C)c(Cl)c2)nnc1-c1ccc(C)cc1 ZINC000000938157 568929501 /nfs/dbraw/zinc/92/95/01/568929501.db2.gz XXCXCJPQTRIIAQ-UHFFFAOYSA-N 0 0 412.946 5.132 40 30 HKEBRN COc1ccc(/C=C2\CC(C)C/C(=C/c3ccc(OC)c(OC)c3)C2=O)cc1OC ZINC000000943412 523415762 /nfs/dbraw/zinc/41/57/62/523415762.db2.gz ROLCMYQRKXGMSQ-ZEDXCMECSA-N 0 0 408.494 5.187 40 30 HKEBRN CCOC(=O)c1sc(NC(=O)/C=C/c2c(Cl)cccc2Cl)c(C#N)c1C ZINC000000957075 568756882 /nfs/dbraw/zinc/75/68/82/568756882.db2.gz OGKZQVIJFMZFRL-BQYQJAHWSA-N 0 0 409.294 5.064 40 30 HKEBRN CC(=O)Oc1c(Br)cc(/C=N/c2ccc(C)cc2)cc1Br ZINC000000969260 560560328 /nfs/dbraw/zinc/56/03/28/560560328.db2.gz UTBSJZZNSAOTLH-DJKKODMXSA-N 0 0 411.093 5.196 40 30 HKEBRN O=[N+]([O-])c1cc(/C=N/c2c(-c3ccco3)nc3cc(Cl)ccn32)ccc1Cl ZINC000000978812 560726712 /nfs/dbraw/zinc/72/67/12/560726712.db2.gz ZHHYUVMCNXZHBM-UFFVCSGVSA-N 0 0 401.209 5.560 40 30 HKEBRN CCC(C)(C)[C@H]1CCc2nc(SCC(=O)c3ccc(OC)cc3)c(C#N)cc2C1 ZINC000001010414 568762813 /nfs/dbraw/zinc/76/28/13/568762813.db2.gz QMIZRWGSMALYIG-IBGZPJMESA-N 0 0 408.567 5.478 40 30 HKEBRN CCC(C)(C)[C@@H]1CCc2nc(SCC(=O)c3ccc(OC)cc3)c(C#N)cc2C1 ZINC000001010415 568762967 /nfs/dbraw/zinc/76/29/67/568762967.db2.gz QMIZRWGSMALYIG-LJQANCHMSA-N 0 0 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5.562 40 30 HKEBRN COc1ccc([C@@H]2Nc3c4cccnc4ccc3C3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000001440572 557263944 /nfs/dbraw/zinc/26/39/44/557263944.db2.gz XGIMTIPFSXYBTN-DEOSSOPVSA-N 0 0 414.505 5.562 40 30 HKEBRN COc1cccc(/N=C/c2ccc(OC(=O)/C=C/c3ccc(OC)c(OC)c3)cc2)c1 ZINC000001440616 557263896 /nfs/dbraw/zinc/26/38/96/557263896.db2.gz ICOJULOPOQOMRW-NDXTWRDRSA-N 0 0 417.461 5.082 40 30 HKEBRN CC(=O)Oc1ccc([C@H]2c3c(ccc4ncccc43)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000001441360 557264577 /nfs/dbraw/zinc/26/45/77/557264577.db2.gz LUZNKSOQSNLWII-QHCPKHFHSA-N 0 0 412.489 5.361 40 30 HKEBRN CC(=O)Oc1ccc([C@@H]2c3c(ccc4ncccc43)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000001441361 557264602 /nfs/dbraw/zinc/26/46/02/557264602.db2.gz LUZNKSOQSNLWII-HSZRJFAPSA-N 0 0 412.489 5.361 40 30 HKEBRN Cc1ccc(C(=O)[C@H]2[C@H](c3ccsc3)C(C#N)(C#N)[C@H]3C=Cc4ccccc4N32)cc1 ZINC000001444057 557265513 /nfs/dbraw/zinc/26/55/13/557265513.db2.gz FYSVTOIULMTRSN-TZRRMPRUSA-N 0 0 421.525 5.341 40 30 HKEBRN C=C1C(C)(C)[C@H]2CC[C@]1(C(=O)Nc1ccc(C(=O)Nc3ccc(OC)cc3)cc1)C2 ZINC000001448492 518659733 /nfs/dbraw/zinc/65/97/33/518659733.db2.gz JUSXJWVIGGBYPV-BVZFJXPGSA-N 0 0 404.510 5.269 40 30 HKEBRN C=C1C(C)(C)[C@@H]2CC[C@@]1(C(=O)Nc1ccc(C(=O)Nc3ccc(OC)cc3)cc1)C2 ZINC000001448493 569006631 /nfs/dbraw/zinc/00/66/31/569006631.db2.gz JUSXJWVIGGBYPV-IQGLISFBSA-N 0 0 404.510 5.269 40 30 HKEBRN C=CCn1c(-c2ccc(OC)cc2)csc1=Nc1ccc(Br)cc1 ZINC000001466408 560581209 /nfs/dbraw/zinc/58/12/09/560581209.db2.gz KZQNNFKNZUFTJA-UHFFFAOYSA-O 0 0 402.337 5.403 40 30 HKEBRN O=C(Oc1ccc(/C=N/c2ccc(N3CCOCC3)cc2)cc1)c1ccccc1Cl ZINC000001509496 557270809 /nfs/dbraw/zinc/27/08/09/557270809.db2.gz TXCBNXKBEAOPMQ-YZSQISJMSA-N 0 0 420.896 5.146 40 30 HKEBRN CCOc1cccc(/C=N/c2cc(-c3nc4cc(C)ccc4o3)ccc2OC)c1O ZINC000001510817 560583373 /nfs/dbraw/zinc/58/33/73/560583373.db2.gz KJBJSTSUULATIW-AFUMVMLFSA-N 0 0 402.450 5.667 40 30 HKEBRN CCCCCCC(=O)O[C@@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000001531017 519959650 /nfs/dbraw/zinc/95/96/50/519959650.db2.gz VOCBWIIFXDYGNZ-PDVSWFIFSA-N 0 0 400.603 6.401 40 30 HKEBRN Clc1ccc2c(C#Cc3ccccc3)c3ccccc3c(C#Cc3ccccc3)c2c1 ZINC000001564297 569006726 /nfs/dbraw/zinc/00/67/26/569006726.db2.gz YDYTTZZBQVZTPY-UHFFFAOYSA-N 0 0 412.919 7.446 40 30 HKEBRN O=C1c2oc3ccc4ccccc4c3c2[C@](O)(C#Cc2ccccc2)c2ccccc21 ZINC000001564322 569006679 /nfs/dbraw/zinc/00/66/79/569006679.db2.gz FTCADZKIPHNLSY-NDEPHWFRSA-N 0 0 400.433 5.418 40 30 HKEBRN CCCCCCC(=O)/C=C/c1ccc(OC(=O)c2ccc(Br)cc2)cc1 ZINC000001565970 557272589 /nfs/dbraw/zinc/27/25/89/557272589.db2.gz JQTJNQOWKSWYOR-VGOFMYFVSA-N 0 0 415.327 6.221 40 30 HKEBRN Cc1cccc(Nc2sc(C(=O)c3cc4cc(Cl)ccc4o3)c(N)c2C#N)c1 ZINC000001568966 569030522 /nfs/dbraw/zinc/03/05/22/569030522.db2.gz LKXYGECCDRHOMD-UHFFFAOYSA-N 0 0 407.882 5.885 40 30 HKEBRN Cc1ccc(-c2nc3ccccc3c(=O)n2/N=C/c2ccc(Cl)cc2Cl)cc1 ZINC000001572405 525824596 /nfs/dbraw/zinc/82/45/96/525824596.db2.gz NODYBFJGYRNPRQ-DHRITJCHSA-N 0 0 408.288 5.561 40 30 HKEBRN C=CCSc1nc2ccc(NCn3c4ccccc4sc3=S)cc2s1 ZINC000001573686 519080698 /nfs/dbraw/zinc/08/06/98/519080698.db2.gz NLKGQIVCKVBYHV-UHFFFAOYSA-N 0 0 401.607 6.390 40 30 HKEBRN CCCCCCCCCSc1nc2ccc(/N=C/c3ccccc3O)cc2s1 ZINC000001573739 557273099 /nfs/dbraw/zinc/27/30/99/557273099.db2.gz STSVSXDVCDJSTJ-JJIBRWJFSA-N 0 0 412.624 7.595 40 30 HKEBRN Cc1ccc(C)c2c(C#Cc3ccccc3)c3ccccc3c(C#Cc3ccccc3)c12 ZINC000001577906 524215216 /nfs/dbraw/zinc/21/52/16/524215216.db2.gz ZTXOKOINVVTFSJ-UHFFFAOYSA-N 0 0 406.528 7.409 40 30 HKEBRN Cc1cc(Sc2ccc(Cl)cc2)nc(Sc2ccc(Cl)cc2)c1C#N ZINC000001579476 569030565 /nfs/dbraw/zinc/03/05/65/569030565.db2.gz JIUBIVFXNBQNOD-UHFFFAOYSA-N 0 0 403.359 6.871 40 30 HKEBRN C=CCOc1cc2c(cc1[C@H](CC)c1ccc(OCc3ccccc3)cc1)OCO2 ZINC000001582328 569006698 /nfs/dbraw/zinc/00/66/98/569006698.db2.gz GRGHSCOABZPCNQ-JOCHJYFZSA-N 0 0 402.490 6.101 40 30 HKEBRN CCOC(=O)C1=C(/C=C/c2cccc(Cl)c2)O/C(=C/c2cccc(Cl)c2)C1=O ZINC000001582364 520473292 /nfs/dbraw/zinc/47/32/92/520473292.db2.gz FZNYZWGMQWRQNO-OHNABYMDSA-N 0 0 415.272 5.464 40 30 HKEBRN O=C1C=C[C@H](Nc2ccc(Cl)c(Cl)c2)[C@@H]1Nc1ccc(Cl)c(Cl)c1 ZINC000001588909 557274708 /nfs/dbraw/zinc/27/47/08/557274708.db2.gz IBHDFXRFDFEFAS-RDJZCZTQSA-N 0 0 402.108 5.700 40 30 HKEBRN O=C1C=C[C@@H](Nc2ccc(Cl)c(Cl)c2)[C@@H]1Nc1ccc(Cl)c(Cl)c1 ZINC000001588910 557274675 /nfs/dbraw/zinc/27/46/75/557274675.db2.gz IBHDFXRFDFEFAS-WBVHZDCISA-N 0 0 402.108 5.700 40 30 HKEBRN O=C1C=C[C@H](Nc2ccc(Cl)c(Cl)c2)[C@H]1Nc1ccc(Cl)c(Cl)c1 ZINC000001588911 557274827 /nfs/dbraw/zinc/27/48/27/557274827.db2.gz IBHDFXRFDFEFAS-DOTOQJQBSA-N 0 0 402.108 5.700 40 30 HKEBRN O=C1C=C[C@@H](Nc2ccc(Cl)c(Cl)c2)[C@H]1Nc1ccc(Cl)c(Cl)c1 ZINC000001588912 557274762 /nfs/dbraw/zinc/27/47/62/557274762.db2.gz IBHDFXRFDFEFAS-NVXWUHKLSA-N 0 0 402.108 5.700 40 30 HKEBRN C=CCSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1cccc(C(F)(F)F)c1 ZINC000001590857 569006662 /nfs/dbraw/zinc/00/66/62/569006662.db2.gz CRBXPBFUBDGBAV-UHFFFAOYSA-N 0 0 417.500 6.529 40 30 HKEBRN O=C1CC(=C(c2ccccc2)c2ccccc2)c2cc(Br)ccc2C1=O ZINC000001593905 557275225 /nfs/dbraw/zinc/27/52/25/557275225.db2.gz KFIOGWCDMCQHRI-UHFFFAOYSA-N 0 0 403.275 6.046 40 30 HKEBRN COc1ccc(C(=CC2=CC(=O)C3=C(CCCC3)C2=O)c2ccc(OC)cc2)cc1 ZINC000001601647 557275518 /nfs/dbraw/zinc/27/55/18/557275518.db2.gz VBNCNCMEVCPSAY-UHFFFAOYSA-N 0 0 400.474 5.084 40 30 HKEBRN Clc1ccccc1-n1cccc1/C=N/N=C/c1cccn1-c1ccccc1Cl ZINC000001609100 526984926 /nfs/dbraw/zinc/98/49/26/526984926.db2.gz ATRABQWKGJGCSE-RYQLWAFASA-N 0 0 407.304 6.028 40 30 HKEBRN O=C1/C(=C/c2ccc(Cl)c(Cl)c2)CCC/C1=C/c1ccc(Cl)c(Cl)c1 ZINC000001614654 557276297 /nfs/dbraw/zinc/27/62/97/557276297.db2.gz KGCULKJZSULNHU-DJJIWSAGSA-N 0 0 412.143 7.520 40 30 HKEBRN CC(C)c1cccc2sc(NC(=O)C(=O)[C@@H](C#N)c3cccc4ccccc43)nc21 ZINC000001617122 557276357 /nfs/dbraw/zinc/27/63/57/557276357.db2.gz XWHKGNANWURYLQ-IBGZPJMESA-N 0 0 413.502 5.388 40 30 HKEBRN Cc1ccc(C2=C(c3ccccc3)C(=O)C(c3ccccc3)=C2c2ccc(C)cc2)cc1 ZINC000001628721 557277570 /nfs/dbraw/zinc/27/75/70/557277570.db2.gz HFTIJXPCZGDPSS-UHFFFAOYSA-N 0 0 412.532 7.408 40 30 HKEBRN O=C(C(=CNC(=S)Nc1ccccc1Cl)C(=O)c1ccccc1)c1ccccc1 ZINC000001637479 557278054 /nfs/dbraw/zinc/27/80/54/557278054.db2.gz RZCUXUAUWUQNHN-UHFFFAOYSA-N 0 0 420.921 5.276 40 30 HKEBRN O=C(/C(=C(/Br)I)c1ccccc1)c1ccccc1 ZINC000001642058 557278263 /nfs/dbraw/zinc/27/82/63/557278263.db2.gz YRZKZKWBMCUQDP-SQFISAMPSA-N 0 0 413.052 5.068 40 30 HKEBRN CCOP(=O)(OCC)[C@@H](Cc1ccccc1)N=C(c1ccccc1)c1ccccc1 ZINC000001643453 557278341 /nfs/dbraw/zinc/27/83/41/557278341.db2.gz WLRUOTVHVFBTLE-DEOSSOPVSA-N 0 0 421.477 6.359 40 30 HKEBRN COc1ccc([C@@H]2C3=C(N=C4SC(C(C)=O)=C(C)N42)c2ccccc2CC3)cc1 ZINC000001648873 557278877 /nfs/dbraw/zinc/27/88/77/557278877.db2.gz SEKSEGCZJSHSEM-JOCHJYFZSA-N 0 0 402.519 5.333 40 30 HKEBRN O=C(c1ccccc1)[C@]1(c2ccccc2)O[C@]1(C(=O)c1ccccc1)c1ccccc1 ZINC000001660088 557279253 /nfs/dbraw/zinc/27/92/53/557279253.db2.gz VHTHEVZGLMYPQQ-NSOVKSMOSA-N 0 0 404.465 5.573 40 30 HKEBRN O=C(c1ccccc1)[C@@]1(c2ccccc2)O[C@@]1(C(=O)c1ccccc1)c1ccccc1 ZINC000001660091 557279100 /nfs/dbraw/zinc/27/91/00/557279100.db2.gz VHTHEVZGLMYPQQ-VSGBNLITSA-N 0 0 404.465 5.573 40 30 HKEBRN C=C1C[C@]2(c3ccccc3)C(=O)[C@@]1(c1ccccc1)C(c1ccccc1)=C2c1ccccc1 ZINC000001674467 569006757 /nfs/dbraw/zinc/00/67/57/569006757.db2.gz CTODNONTMIKMLW-ZWXJPIIXSA-N 0 0 424.543 7.016 40 30 HKEBRN C=CCOC(=O)Oc1c(Cl)c(Cl)c(OC(=O)OCC=C)c(Cl)c1Cl ZINC000001675071 569143972 /nfs/dbraw/zinc/14/39/72/569143972.db2.gz IXAHWOAPCWJTDO-UHFFFAOYSA-N 0 0 416.040 5.703 40 30 HKEBRN C=C(Cl)Cc1cc([C@H](CC)[C@@H](CC)c2ccc(O)c(CC(=C)Cl)c2)ccc1O ZINC000001677704 569006773 /nfs/dbraw/zinc/00/67/73/569006773.db2.gz NZPFXUVPFXIEEW-VXKWHMMOSA-N 0 0 419.392 7.375 40 30 HKEBRN C=C(Cl)Cc1cc([C@@H](CC)[C@H](CC)c2ccc(O)c(CC(=C)Cl)c2)ccc1O ZINC000001677707 569006742 /nfs/dbraw/zinc/00/67/42/569006742.db2.gz NZPFXUVPFXIEEW-FGZHOGPDSA-N 0 0 419.392 7.375 40 30 HKEBRN O=C1ON(c2ccccc2)[C@@H](c2ccc(OCc3ccccc3)cc2)N1c1ccccc1 ZINC000001680116 557280077 /nfs/dbraw/zinc/28/00/77/557280077.db2.gz RPXXGOVWXSNRAI-SANMLTNESA-N 0 0 422.484 6.343 40 30 HKEBRN S=C(N/N=C/c1ccc(Cl)cc1Cl)N/N=C/c1ccc(Cl)cc1Cl ZINC000001682568 557280351 /nfs/dbraw/zinc/28/03/51/557280351.db2.gz SKCDBPJQYUHJFC-BPYXDGQXSA-N 0 0 420.152 5.132 40 30 HKEBRN C=C(Cl)Cc1cc(/C(CC)=C(/CC)c2ccc(O)c(CC(=C)Cl)c2)ccc1O ZINC000001688993 569006736 /nfs/dbraw/zinc/00/67/36/569006736.db2.gz QHBIVKRRLCRTLB-DQRAZIAOSA-N 0 0 417.376 7.419 40 30 HKEBRN C=C(Cl)Cc1cc(/C(CC)=C(\CC)c2ccc(O)c(CC(=C)Cl)c2)ccc1O ZINC000001688994 569006783 /nfs/dbraw/zinc/00/67/83/569006783.db2.gz QHBIVKRRLCRTLB-QURGRASLSA-N 0 0 417.376 7.419 40 30 HKEBRN CCCCCCC(=O)O[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)C=C(C)[C@]4(C)[C@H]3CC[C@]12C ZINC000001692226 557281064 /nfs/dbraw/zinc/28/10/64/557281064.db2.gz TXUICONDJPYNPY-NNHWUIPKSA-N 0 0 414.630 6.647 40 30 HKEBRN O=C1c2ccccc2C2=C1c1ccccc1[C@]1(c3ccccc3)C(=O)c3ccccc3[C@H]21 ZINC000001701943 557281722 /nfs/dbraw/zinc/28/17/22/557281722.db2.gz OCZDUWQNWOTEFF-OFSOJUDTSA-N 0 0 410.472 6.074 40 30 HKEBRN O=C1c2ccccc2C2=C1c1ccccc1[C@@]1(c3ccccc3)C(=O)c3ccccc3[C@H]21 ZINC000001701945 527133060 /nfs/dbraw/zinc/13/30/60/527133060.db2.gz OCZDUWQNWOTEFF-POURPWNDSA-N 0 0 410.472 6.074 40 30 HKEBRN Cc1ccc(S(=O)(=O)OC[C@@H](c2ccc(Cl)cc2)c2ccccc2Cl)cc1 ZINC000001705314 557281902 /nfs/dbraw/zinc/28/19/02/557281902.db2.gz RHORZYHFLYVMIY-FQEVSTJZSA-N 0 0 421.345 5.839 40 30 HKEBRN Ic1ccc(/C=N/N=C2c3ccccc3-c3ccccc32)cc1 ZINC000001710181 557282250 /nfs/dbraw/zinc/28/22/50/557282250.db2.gz WFXWJSNSLNMUGG-LPYMAVHISA-N 0 0 408.242 5.143 40 30 HKEBRN C(=N/N=C1c2ccccc2-c2ccccc21)\c1ccc2ccc3cccc4ccc1c2c34 ZINC000001710190 557282195 /nfs/dbraw/zinc/28/21/95/557282195.db2.gz WAQJPXMFDURXBM-FDAWAROLSA-N 0 0 406.488 7.436 40 30 HKEBRN O=C(/C(=N\N=C(/C(=O)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1 ZINC000001711701 527592163 /nfs/dbraw/zinc/59/21/63/527592163.db2.gz KTIVNHNHGQMXFP-IDDWGTJGSA-N 0 0 416.480 5.646 40 30 HKEBRN O=C1c2ccccc2C(=O)C(SCc2ccccc2)=C1SCc1ccccc1 ZINC000001717344 557282530 /nfs/dbraw/zinc/28/25/30/557282530.db2.gz HBUPFHHWQGUXOM-UHFFFAOYSA-N 0 0 402.540 6.144 40 30 HKEBRN CCCCCCCN(c1ccc(C(=O)OCC)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000001723609 557283062 /nfs/dbraw/zinc/28/30/62/557283062.db2.gz RKYZPFKXPWKSRB-UHFFFAOYSA-N 0 0 417.571 5.337 40 30 HKEBRN Cc1ccc(C(=O)c2sc(Nc3cccc(C(F)(F)F)c3)c(C#N)c2N)c(C)c1 ZINC000001735759 569040057 /nfs/dbraw/zinc/04/00/57/569040057.db2.gz SAWPFKWQGUGWBX-UHFFFAOYSA-N 0 0 415.440 5.812 40 30 HKEBRN O=S(=O)(ON=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1)c1ccccc1 ZINC000001740611 557284088 /nfs/dbraw/zinc/28/40/88/557284088.db2.gz FBNHPQDBHBWCPN-UHFFFAOYSA-N 0 0 406.290 5.151 40 30 HKEBRN Cc1ccc(S(=O)(=O)NN=C(/C=C/c2ccccc2)/C=C/c2ccccc2)cc1 ZINC000001742105 557284003 /nfs/dbraw/zinc/28/40/03/557284003.db2.gz NJAOCDOAPINPJG-YXLFCKQPSA-N 0 0 402.519 5.056 40 30 HKEBRN C[C@H]1CCc2c(C#N)c(NC(=O)CCCOc3ccc(C(C)(C)C)cc3)sc2C1 ZINC000001773535 569052369 /nfs/dbraw/zinc/05/23/69/569052369.db2.gz KMXSCVIVWGYNSY-INIZCTEOSA-N 0 0 410.583 5.840 40 30 HKEBRN C[C@@H]1CCc2c(C#N)c(NC(=O)CCCOc3ccc(C(C)(C)C)cc3)sc2C1 ZINC000001773536 569052357 /nfs/dbraw/zinc/05/23/57/569052357.db2.gz KMXSCVIVWGYNSY-MRXNPFEDSA-N 0 0 410.583 5.840 40 30 HKEBRN Clc1ccc(/C=N/n2c(SCc3ccccc3)nnc2-c2ccccc2)cc1 ZINC000001780515 526941043 /nfs/dbraw/zinc/94/10/43/526941043.db2.gz SAMUFKGAYXEKLM-BUVRLJJBSA-N 0 0 404.926 5.773 40 30 HKEBRN COc1ccc(/C=N/n2c(SCc3ccccc3)nnc2-c2ccccc2)cc1 ZINC000001780538 523454781 /nfs/dbraw/zinc/45/47/81/523454781.db2.gz VPJASUGKRFVJRB-LFVJCYFKSA-N 0 0 400.507 5.128 40 30 HKEBRN CC(C)c1ccc(/C=N/n2c(SCc3ccccc3)nnc2-c2ccccc2)cc1 ZINC000001780549 568930368 /nfs/dbraw/zinc/93/03/68/568930368.db2.gz GDIPGVSOYXKLPI-YZSQISJMSA-N 0 0 412.562 6.243 40 30 HKEBRN C=CCn1c(-c2ccc(OC)cc2)c(C)sc1=Nc1ccc(Br)cc1 ZINC000001786917 560583523 /nfs/dbraw/zinc/58/35/23/560583523.db2.gz UUSSDIAYHDLFKE-UHFFFAOYSA-O 0 0 416.364 5.712 40 30 HKEBRN Cc1cc(OCCCC(=O)Nc2sc(=S)c3c(c2C#N)CCC3)ccc1Cl ZINC000001792344 569053232 /nfs/dbraw/zinc/05/32/32/569053232.db2.gz HQQVUQNJMURLJI-UHFFFAOYSA-N 0 0 418.971 5.597 40 30 HKEBRN CCCc1ccc(OCCCC(=O)Nc2sc(=S)c3c(c2C#N)CCC3)cc1 ZINC000001792345 569053193 /nfs/dbraw/zinc/05/31/93/569053193.db2.gz GAOUQEKBOCAARI-UHFFFAOYSA-N 0 0 412.580 5.588 40 30 HKEBRN CCCCCCCCOc1ccc(/C=C2/S/C(=N\c3ccccc3)NC2=O)cc1 ZINC000001826287 520040716 /nfs/dbraw/zinc/04/07/16/520040716.db2.gz KXWPCZJTLIEMJP-RELWKKBWSA-N 0 0 408.567 6.318 40 30 HKEBRN COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000001852379 569056548 /nfs/dbraw/zinc/05/65/48/569056548.db2.gz KCZMPRIGUFABQG-VOTSOKGWSA-N 0 0 407.322 5.466 40 30 HKEBRN COc1ccc(Br)c(/C=N\c2cccc3cc(OC)c(OC)cc32)c1 ZINC000001857511 557292445 /nfs/dbraw/zinc/29/24/45/557292445.db2.gz MKPKJMRTAOPOIE-UUYOSTAYSA-N 0 0 400.272 5.379 40 30 HKEBRN N#CC(Cc1ccc(Cl)cc1)(Cc1ccc(Cl)cc1)Cc1ccc(Cl)cc1 ZINC000001870218 557293326 /nfs/dbraw/zinc/29/33/26/557293326.db2.gz SZAJGQWTUVDNFO-UHFFFAOYSA-N 0 0 414.763 7.185 40 30 HKEBRN C=CCn1c(-c2ccc(Br)cc2)csc1=Nc1cccc(C)c1C ZINC000001878928 569006795 /nfs/dbraw/zinc/00/67/95/569006795.db2.gz LHUJBXBANOVYNH-UHFFFAOYSA-O 0 0 400.365 6.012 40 30 HKEBRN C=CCn1c(-c2ccc(Br)cc2)csc1=Nc1ccc(Cl)cc1 ZINC000001878929 569006811 /nfs/dbraw/zinc/00/68/11/569006811.db2.gz DKCXHKYNXTWKKG-UHFFFAOYSA-O 0 0 406.756 6.048 40 30 HKEBRN Cc1ccccc1-c1nc2cc(/N=C/c3c(O)ccc4cc([N+](=O)[O-])ccc43)ccc2o1 ZINC000001884282 560583486 /nfs/dbraw/zinc/58/34/86/560583486.db2.gz HPZZLCGZLXZTLG-VULFUBBASA-N 0 0 423.428 6.321 40 30 HKEBRN C=CCn1c(-c2ccc(Br)cc2)csc1=Nc1ccc(OCC)cc1 ZINC000001994163 519121184 /nfs/dbraw/zinc/12/11/84/519121184.db2.gz XJPJDVYJOHPBKU-UHFFFAOYSA-O 0 0 416.364 5.793 40 30 HKEBRN C=C(C)[C@@H](CC=C(C)C)Cc1c(O)cc(O)c2c1O[C@H](c1ccc(O)cc1O)CC2=O ZINC000002008848 291281411 /nfs/dbraw/zinc/28/14/11/291281411.db2.gz XRYVAQQLDYTHCL-WNSKOXEYSA-N 0 0 424.493 5.307 40 30 biogenic,in-vivo HKEBRN C=C(C)[C@H](CC=C(C)C)Cc1c(O)cc(O)c2c1O[C@H](c1ccc(O)cc1O)CC2=O ZINC000002008850 291281753 /nfs/dbraw/zinc/28/17/53/291281753.db2.gz XRYVAQQLDYTHCL-CMJOXMDJSA-N 0 0 424.493 5.307 40 30 biogenic,in-vivo HKEBRN O=C1c2oc3ccc4ccccc4c3c2[C@@](O)(C#Cc2ccccc2)c2ccccc21 ZINC000002028120 569006903 /nfs/dbraw/zinc/00/69/03/569006903.db2.gz FTCADZKIPHNLSY-MUUNZHRXSA-N 0 0 400.433 5.418 40 30 HKEBRN O=C1c2ccccc2C2=Nc3ccccc3S[C@@H](c3cccc(Cl)c3Cl)C12 ZINC000002060922 560730044 /nfs/dbraw/zinc/73/00/44/560730044.db2.gz WRJXARRWQCUSNI-QFIPXVFZSA-N 0 0 410.325 6.860 40 30 HKEBRN O=C1c2ccccc2C2=Nc3ccccc3S[C@H](c3cccc(Cl)c3Cl)C12 ZINC000002060923 560730002 /nfs/dbraw/zinc/73/00/02/560730002.db2.gz WRJXARRWQCUSNI-JOCHJYFZSA-N 0 0 410.325 6.860 40 30 HKEBRN Oc1ccc2ccccc2c1/C=N/c1ccc(-c2nc3c(ccc4ccccc34)o2)cc1 ZINC000002067823 560584183 /nfs/dbraw/zinc/58/41/83/560584183.db2.gz WYHOMBZHACGDFY-STBIYBPSSA-N 0 0 414.464 7.257 40 30 HKEBRN O=C1C=CC2=N[C@@]34CCCC[C@@H]3[C@@H](c3ccccc3)C=C(c3ccc(O)cc3)N4C2=C1 ZINC000002106027 560584328 /nfs/dbraw/zinc/58/43/28/560584328.db2.gz SNOJHUGTPWMMOU-AZSVPQILSA-N 0 0 408.501 5.196 40 30 HKEBRN C=C1CC[C@@H]2C(C)(C)[C@@H](OC(C)=O)CC[C@@]2(C)[C@@H]1COc1ccc2ccc(=O)oc2c1 ZINC000002116877 569284661 /nfs/dbraw/zinc/28/46/61/569284661.db2.gz MNGYOFNIAOWXIT-XQJVOIGCSA-N 0 0 424.537 5.512 40 30 biogenic HKEBRN CCN(CC)c1ccc(C=NN2C(=S)N=NC2c2ccc(Cl)cc2Cl)cc1 ZINC000002233035 557329312 /nfs/dbraw/zinc/32/93/12/557329312.db2.gz IXAFIIZMNHMTOD-UUYOSTAYSA-N 0 0 420.369 5.269 40 30 HKEBRN Cc1ccc(C(=O)[C@H]2[C@@H](c3ccsc3)C(C#N)(C#N)[C@H]3C=Cc4ccccc4N32)cc1 ZINC000002240145 557330235 /nfs/dbraw/zinc/33/02/35/557330235.db2.gz FYSVTOIULMTRSN-WXFUMESZSA-N 0 0 421.525 5.341 40 30 HKEBRN O=C1ON=C(c2ccc(Cl)cc2)/C1=C\c1ccc(OCc2ccc(F)cc2)cc1 ZINC000002291621 560730944 /nfs/dbraw/zinc/73/09/44/560730944.db2.gz KJJCWLJHZFVLDN-FYJGNVAPSA-N 0 0 407.828 5.403 40 30 HKEBRN Oc1ccc2ccccc2c1C=NN1C(=S)N=NC1c1ccc(Cl)cc1Cl ZINC000002304557 560559551 /nfs/dbraw/zinc/55/95/51/560559551.db2.gz FIFCMKLROGAORN-YVNNLAQVSA-N 0 0 415.305 5.282 40 30 HKEBRN FC(F)(F)c1ccc(C=NN2C(=S)N=NC2c2ccc(Cl)cc2Cl)cc1 ZINC000002324472 557337473 /nfs/dbraw/zinc/33/74/73/557337473.db2.gz FPJKSEWINPFALO-UYOCIXKTSA-N 0 0 417.243 5.442 40 30 HKEBRN CCCOc1ccc(C=NN2C(=S)N=NC2c2ccc(Cl)cc2Cl)cc1 ZINC000002335251 557337983 /nfs/dbraw/zinc/33/79/83/557337983.db2.gz PDELRUUPPXBMPP-NHDPSOOVSA-N 0 0 407.326 5.212 40 30 HKEBRN C=CCn1c(SCC(=O)c2ccc(-c3ccccc3)cc2)nnc1-c1ccco1 ZINC000002343265 569007194 /nfs/dbraw/zinc/00/71/94/569007194.db2.gz PYSTURQMZPGURE-UHFFFAOYSA-N 0 0 401.491 5.366 40 30 HKEBRN S=C1N=NC(c2ccc(Cl)cc2)N1N=Cc1cccc(OCc2ccccc2)c1 ZINC000002350288 560559787 /nfs/dbraw/zinc/55/97/87/560559787.db2.gz YIUIOVKOGQXYKJ-OYKKKHCWSA-N 0 0 420.925 5.348 40 30 HKEBRN FC(F)(F)c1ccccc1C=NN1C(=S)N=NC1c1ccc(Cl)cc1Cl ZINC000002353565 557339600 /nfs/dbraw/zinc/33/96/00/557339600.db2.gz XLHGNPDDFNOSAP-UYOCIXKTSA-N 0 0 417.243 5.442 40 30 HKEBRN S=C1N=NC(c2ccc(Cl)cc2Cl)N1N=CC(Cl)=Cc1ccccc1 ZINC000002353638 557339678 /nfs/dbraw/zinc/33/96/78/557339678.db2.gz FCGHOAVWOZSLJQ-FFFDIUGGSA-N 0 0 409.729 5.654 40 30 HKEBRN S=C1N=NC(c2ccc(Cl)cc2Cl)N1N=Cc1ccc(Cl)cc1Cl ZINC000002358788 560559666 /nfs/dbraw/zinc/55/96/66/560559666.db2.gz NXSJVFVMJVTNOG-SCDVKCJHSA-N 0 0 418.136 5.730 40 30 HKEBRN C=CCn1c(SCC(=O)c2ccc(-c3ccccc3)cc2)nnc1-c1ccccn1 ZINC000002366249 569007195 /nfs/dbraw/zinc/00/71/95/569007195.db2.gz BLWLNXYBDTWGRX-UHFFFAOYSA-N 0 0 412.518 5.168 40 30 HKEBRN C=CCn1c(SCC(=O)c2ccc(-c3ccccc3)cc2)nnc1-c1cccnc1 ZINC000002369022 569007204 /nfs/dbraw/zinc/00/72/04/569007204.db2.gz SDLNJPBIGLHGLR-UHFFFAOYSA-N 0 0 412.518 5.168 40 30 HKEBRN S=C1N=NC(c2ccc(Cl)cc2Cl)N1N=Cc1c(Cl)cccc1Cl ZINC000002373117 560559807 /nfs/dbraw/zinc/55/98/07/560559807.db2.gz HHAARQIKVDZYRB-SCDVKCJHSA-N 0 0 418.136 5.730 40 30 HKEBRN O=C(/C=C/N1CCN(c2cccc(Cl)c2)CC1)c1ccc(-c2ccccc2)cc1 ZINC000002385067 557342557 /nfs/dbraw/zinc/34/25/57/557342557.db2.gz ZTNTZHBIQJARHX-BUHFOSPRSA-N 0 0 402.925 5.526 40 30 HKEBRN O=C(/C=C/N1CCN(c2ccc(Cl)cc2)CC1)c1ccc(-c2ccccc2)cc1 ZINC000002388803 557343226 /nfs/dbraw/zinc/34/32/26/557343226.db2.gz ICFONFRQWDJIMP-CCEZHUSRSA-N 0 0 402.925 5.526 40 30 HKEBRN O=C(/C=C/Sc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(Cl)cc1 ZINC000002389194 557343467 /nfs/dbraw/zinc/34/34/67/557343467.db2.gz ZJXHIUMSGGJZJZ-AATRIKPKSA-N 0 0 410.766 6.866 40 30 HKEBRN Cc1sc(NC(=O)c2cccc(-c3cc4ccccc4oc3=O)c2)c(C#N)c1C ZINC000002412020 569024461 /nfs/dbraw/zinc/02/44/61/569024461.db2.gz BMCMWIJZHJFAMA-UHFFFAOYSA-N 0 0 400.459 5.262 40 30 HKEBRN Cn1cc(/C=C2/S/C(=N\c3cccc(Cl)c3Cl)NC2=O)c2ccccc21 ZINC000002417825 557346089 /nfs/dbraw/zinc/34/60/89/557346089.db2.gz JRCHWTANWKIALW-CXUHLZMHSA-N 0 0 402.306 5.377 40 30 HKEBRN O=C1N/C(=N/c2ccc(Cl)c(C(F)(F)F)c2)S/C1=C/c1c[nH]c2ccccc12 ZINC000002449218 557348891 /nfs/dbraw/zinc/34/88/91/557348891.db2.gz BNTGXVPRMDJCBX-FRKPEAEDSA-N 0 0 421.831 5.732 40 30 HKEBRN CCc1c(C)sc(NC(=O)c2cc(-c3ccc(Br)cc3)on2)c1C#N ZINC000002465544 568883113 /nfs/dbraw/zinc/88/31/13/568883113.db2.gz XZSUKTQQWRGRNO-UHFFFAOYSA-N 0 0 416.300 5.160 40 30 HKEBRN O=C(/C=C/Sc1c(Cl)c(Cl)nc(Cl)c1Cl)c1ccc(Cl)cc1 ZINC000002556127 568782900 /nfs/dbraw/zinc/78/29/00/568782900.db2.gz KVQXSYNQTRCZHV-AATRIKPKSA-N 0 0 413.540 6.837 40 30 HKEBRN COc1ccc(C(=O)/C=C/Sc2c(Cl)c(Cl)nc(Cl)c2Cl)cc1 ZINC000002556211 568782974 /nfs/dbraw/zinc/78/29/74/568782974.db2.gz PDJOZOULCBSFOX-VOTSOKGWSA-N 0 0 409.121 6.193 40 30 HKEBRN CCCCCCCC(=O)Oc1ccc2cc(-c3nc4ccccc4o3)c(=O)oc2c1 ZINC000002570000 557357204 /nfs/dbraw/zinc/35/72/04/557357204.db2.gz CKEGKXSZJKGMMN-UHFFFAOYSA-N 0 0 405.450 5.867 40 30 HKEBRN N#Cc1ccc(-c2c(=O)oc3c(Cl)cc(Cl)cc3c2-c2ccc(O)cc2)cc1 ZINC000002573865 568784522 /nfs/dbraw/zinc/78/45/22/568784522.db2.gz LKOBEHSKMUMIEE-UHFFFAOYSA-N 0 0 408.240 6.011 40 30 HKEBRN CC(=O)n1nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1-c1ccccc1 ZINC000002573953 557357383 /nfs/dbraw/zinc/35/73/83/557357383.db2.gz QFYJYZHJRXKGNX-UHFFFAOYSA-N 0 0 404.232 5.135 40 30 HKEBRN CC(C)(C)c1ccc(C=NN2C(=S)N=NC2c2ccc(Cl)cc2Cl)cc1 ZINC000002592108 560670527 /nfs/dbraw/zinc/67/05/27/560670527.db2.gz CRZDVQWNOMNISE-JJFYIABZSA-N 0 0 405.354 5.720 40 30 HKEBRN C=CCOc1ccc(C=C2SC(Nc3ccccc3Br)=NC2=O)cc1 ZINC000002593020 559205094 /nfs/dbraw/zinc/20/50/94/559205094.db2.gz HFKUCJRFAJSUDA-SFQUDFHCSA-N 0 0 415.312 5.096 40 30 HKEBRN CCOc1ccc(OCCO/N=C/c2ccc(OCc3ccccc3)c(OC)c2)cc1 ZINC000002645535 560586923 /nfs/dbraw/zinc/58/69/23/560586923.db2.gz SXVXNDDJDJOVPY-NLRVBDNBSA-N 0 0 421.493 5.102 40 30 HKEBRN S=C(NCc1ccccc1)N/N=C/c1c2ccccc2c(Cl)c2ccccc12 ZINC000002658308 560587341 /nfs/dbraw/zinc/58/73/41/560587341.db2.gz PMIDBVXRSUDVEJ-CVKSISIWSA-N 0 0 403.938 5.645 40 30 HKEBRN C=CCOc1ccc(C=C2SC(Nc3cccc(Br)c3)=NC2=O)cc1 ZINC000002668840 568454358 /nfs/dbraw/zinc/45/43/58/568454358.db2.gz IVXUFKIBIIWWHI-GZTJUZNOSA-N 0 0 415.312 5.096 40 30 HKEBRN C=CCn1c(-c2ccc(Cl)cc2Cl)cs/c1=N\c1ccc(NC(C)=O)cc1 ZINC000002677042 568453994 /nfs/dbraw/zinc/45/39/94/568453994.db2.gz VLKKJRYAGFBBEU-GFMRDNFCSA-N 0 0 418.349 5.900 40 30 HKEBRN C=CCOc1ccc(C=C2SC(Nc3cc(Cl)cc(Cl)c3)=NC2=O)cc1 ZINC000002713725 568460410 /nfs/dbraw/zinc/46/04/10/568460410.db2.gz DZRKYLDVYIQOKP-CAOOACKPSA-N 0 0 405.306 5.641 40 30 HKEBRN Cn1ncc(Cl)c1C(=O)Nc1ccc2nc(NC(=O)C3CCCCC3)sc2c1 ZINC000002745543 557376976 /nfs/dbraw/zinc/37/69/76/557376976.db2.gz KTDAICLGIPMHGR-UHFFFAOYSA-N 0 0 417.922 5.104 40 30 HKEBRN CCCCOc1ccc(Oc2cc(C#N)c(C#N)cc2-n2nnc3ccccc32)cc1 ZINC000002751247 568806433 /nfs/dbraw/zinc/80/64/33/568806433.db2.gz JSQCQQKTNDBOPH-UHFFFAOYSA-N 0 0 409.449 5.135 40 30 HKEBRN Cc1ccc(NC(=O)c2ccccc2NC(=O)C(F)(F)C(F)(F)C(F)(F)F)cc1 ZINC000002756113 568932142 /nfs/dbraw/zinc/93/21/42/568932142.db2.gz PCKJKDJDRJBDDV-UHFFFAOYSA-N 0 0 422.300 5.019 40 30 HKEBRN CC(=O)C1=C(c2ccccc2)NC(=O)N[C@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000002772414 568932101 /nfs/dbraw/zinc/93/21/01/568932101.db2.gz CHQNTAMVGGXQIR-QFIPXVFZSA-N 0 0 420.553 5.341 40 30 HKEBRN CC(=O)C1=C(c2ccccc2)NC(=O)N[C@@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000002772415 568932036 /nfs/dbraw/zinc/93/20/36/568932036.db2.gz CHQNTAMVGGXQIR-JOCHJYFZSA-N 0 0 420.553 5.341 40 30 HKEBRN CCOc1cc(/C=N/n2c(C)nnc2C)ccc1Oc1ccc(Cl)cc1Cl ZINC000002779879 568932062 /nfs/dbraw/zinc/93/20/62/568932062.db2.gz DZFVLTIXXQVTIC-SSDVNMTOSA-N 0 0 405.285 5.275 40 30 HKEBRN C=CCOc1ccc(/C=C2\N=C(c3ccc(C(C)(C)C)cc3)OC2=O)cc1OCC ZINC000002796158 568932181 /nfs/dbraw/zinc/93/21/81/568932181.db2.gz MOMZTALWNNEYEY-HKWRFOASSA-N 0 0 405.494 5.292 40 30 HKEBRN CCOc1cc(/C=N/c2sc3c(c2C#N)CCCC3)ccc1OCc1ccccc1 ZINC000002798838 560732086 /nfs/dbraw/zinc/73/20/86/560732086.db2.gz NRCNGFYEBSBFCD-JVWAILMASA-N 0 0 416.546 6.227 40 30 HKEBRN O=[N+]([O-])c1ccc(C=Nc2ccc3[nH]c(-c4ccc(Cl)cc4Cl)nc3c2)cc1 ZINC000002821101 557395977 /nfs/dbraw/zinc/39/59/77/557395977.db2.gz FPCAJAHNSFZETN-FOKLQQMPSA-N 0 0 411.248 6.196 40 30 HKEBRN N#Cc1c2c(sc1/N=C/c1ccc(-c3ccc(Cl)cc3Cl)o1)CCCC2 ZINC000002892553 568815081 /nfs/dbraw/zinc/81/50/81/568815081.db2.gz TWXFCBXPLQTCNS-BHGWPJFGSA-N 0 0 401.318 6.816 40 30 HKEBRN N#Cc1c2c(sc1/N=C/c1ccc(-c3ccc([N+](=O)[O-])cc3Cl)o1)CCCC2 ZINC000002892601 560732715 /nfs/dbraw/zinc/73/27/15/560732715.db2.gz CWGVFTNMZRAKNQ-FOKLQQMPSA-N 0 0 411.870 6.071 40 30 HKEBRN Brc1cccc(/C=C/C=N/c2ccc3oc(-c4ccccc4)nc3c2)c1 ZINC000002893066 568815037 /nfs/dbraw/zinc/81/50/37/568815037.db2.gz JUVRSLYUJZPJJL-GHRZAKMRSA-N 0 0 403.279 6.673 40 30 HKEBRN O=C(Oc1cccc(/C=N/c2ccc(O)cc2)c1)c1sc2ccccc2c1Cl ZINC000002901293 560732725 /nfs/dbraw/zinc/73/27/25/560732725.db2.gz QWLYERUZXXJUDV-ZMOGYAJESA-N 0 0 407.878 6.230 40 30 HKEBRN Cc1cc2c(cc1C)CN(c1ccc(/C=N/c3cccc(Br)c3)cc1)C2 ZINC000002903032 560732727 /nfs/dbraw/zinc/73/27/27/560732727.db2.gz HYOPTKGITDVDGI-DHRITJCHSA-N 0 0 405.339 6.337 40 30 HKEBRN Cc1cc2c(cc1C)CN(c1ccc(/C=N/c3ccc(Br)cc3)cc1)C2 ZINC000002903289 560732716 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C=CCNC(=O)/C(=C/c1c2ccccc2cc2ccccc21)NC(=O)c1ccccc1 ZINC000003009847 568837673 /nfs/dbraw/zinc/83/76/73/568837673.db2.gz GSOQDTLGRZSSPB-BWAHOGKJSA-N 0 0 406.485 5.066 40 30 HKEBRN C=CCOC(=O)/C(=C/c1c2ccccc2cc2ccccc21)NC(=O)c1ccccc1 ZINC000003009911 568837639 /nfs/dbraw/zinc/83/76/39/568837639.db2.gz FTVBLQJBVAOBKO-BWAHOGKJSA-N 0 0 407.469 5.493 40 30 HKEBRN CN1c2ccccc2S/C1=C1\S/C(=N\c2ccc3ccccc3c2)N(C)C1=O ZINC000003013613 568838237 /nfs/dbraw/zinc/83/82/37/568838237.db2.gz ZJZNDNNKQUZURJ-BEIQUOEZSA-N 0 0 403.532 5.444 40 30 HKEBRN CCN1C(=O)/C(=C2\Sc3ccccc3N2C)S/C1=N/c1cccc2ccccc21 ZINC000003019798 568838889 /nfs/dbraw/zinc/83/88/89/568838889.db2.gz GOVACZOSXCVBGW-VHPLVOQASA-N 0 0 417.559 5.834 40 30 HKEBRN C=CCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N\c1ccccc1Cl ZINC000003021625 568840381 /nfs/dbraw/zinc/84/03/81/568840381.db2.gz IENOFUUXIMMEPV-MGXYOJEMSA-N 0 0 413.955 5.500 40 30 HKEBRN CN1c2ccccc2S/C1=C1\S/C(=N\c2ccccc2)N(c2ccccc2)C1=O ZINC000003021722 568840426 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AMLPMOKTYSXKFI-HSKIAPCTSA-N 0 0 408.561 5.924 40 30 HKEBRN C#CCN1C(=O)S/C(=C/c2c(C)n(Cc3ccccc3Cl)c3ccccc23)C1=O ZINC000004092104 568963263 /nfs/dbraw/zinc/96/32/63/568963263.db2.gz UCSGSHCYVJXBLB-FYJGNVAPSA-N 0 0 420.921 5.321 40 30 HKEBRN N#CCSc1nnc(COc2cccc3ccccc32)n1-c1cccc(Cl)c1 ZINC000004093552 557513285 /nfs/dbraw/zinc/51/32/85/557513285.db2.gz BVRMUYCYAKQBCW-UHFFFAOYSA-N 0 0 406.898 5.269 40 30 HKEBRN CC1C(=O)C(=O)C=C2C1=CC=C1[C@]3(C)CC[C@@]4(C)CC(=O)[C@H](C)C[C@H]4[C@@]3(C)CC[C@@]21C ZINC000004097726 291289737 /nfs/dbraw/zinc/28/97/37/291289737.db2.gz WSTYNZDAOAEEKG-QSPBTJQRSA-N 0 0 420.593 6.422 40 30 biogenic,in-vitro HKEBRN C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O[C@@H]5CCCCO5)CC[C@@]43C)[C@@H]1CC[C@@H]2CC=O ZINC000004104913 291297129 /nfs/dbraw/zinc/29/71/29/291297129.db2.gz CZNBRGKOCBBHEM-MXHJOJKJSA-N 0 0 402.619 6.146 40 30 biogenic,in-vitro HKEBRN C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O[C@@H]5CCCCO5)CC[C@@]43C)[C@@H]1CC[C@@H]2CC=O ZINC000004104914 291296807 /nfs/dbraw/zinc/29/68/07/291296807.db2.gz CZNBRGKOCBBHEM-LHKDSFIJSA-N 0 0 402.619 6.146 40 30 biogenic,in-vitro HKEBRN C[C@]12CC[C@H]3[C@H](CC[C@H]4C[C@@H](O[C@@H]5CCCCO5)CC[C@@]43C)[C@@H]1CC[C@@H]2CC=O ZINC000004104915 290723180 /nfs/dbraw/zinc/72/31/80/290723180.db2.gz CZNBRGKOCBBHEM-WSHIDIMTSA-N 0 0 402.619 6.146 40 30 biogenic,in-vitro HKEBRN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@H]2c1c[nH]nc1-c1ccccc1 ZINC000004117243 569361788 /nfs/dbraw/zinc/36/17/88/569361788.db2.gz UAIADAVRPPOANA-MHZLTWQESA-N 0 0 419.528 6.654 40 30 HKEBRN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@@H]2c1c[nH]nc1-c1ccccc1 ZINC000004117244 569361709 /nfs/dbraw/zinc/36/17/09/569361709.db2.gz UAIADAVRPPOANA-HHHXNRCGSA-N 0 0 419.528 6.654 40 30 HKEBRN CN(C)c1ccc(/C=C2/S/C(=N/c3ccccc3)N(C3CCCCC3)C2=O)cc1 ZINC000004117315 560601160 /nfs/dbraw/zinc/60/11/60/560601160.db2.gz KRYNRGNGULVGHD-FTNPDODUSA-N 0 0 405.567 5.689 40 30 HKEBRN CCOC(=O)CCSc1nc(-c2ccc(C)cc2)cc(-c2ccccc2)c1C#N ZINC000004124325 560598846 /nfs/dbraw/zinc/59/88/46/560598846.db2.gz WONXPQQWZMEWHF-UHFFFAOYSA-N 0 0 402.519 5.641 40 30 HKEBRN CCOC(=O)c1c2c(sc1NC(=NC1CCCCC1)c1cccs1)CCCC2 ZINC000004129653 560599314 /nfs/dbraw/zinc/59/93/14/560599314.db2.gz YFEIYWRSUTUADI-UHFFFAOYSA-N 0 0 416.612 6.057 40 30 HKEBRN C=CCSC1=NC(C)(C)C[C@@]2(C[C@@H](c3cccc(C)c3)c3ccc(O)c(O)c3O2)N1 ZINC000004160193 560601282 /nfs/dbraw/zinc/60/12/82/560601282.db2.gz OYESSJDMWWZZCH-UUOWRZLLSA-N 0 0 424.566 5.064 40 30 HKEBRN C=CCSC1=NC(C)(C)C[C@@]2(C[C@H](c3cccc(C)c3)c3ccc(O)c(O)c3O2)N1 ZINC000004160194 560601246 /nfs/dbraw/zinc/60/12/46/560601246.db2.gz OYESSJDMWWZZCH-KOSHJBKYSA-N 0 0 424.566 5.064 40 30 HKEBRN C=CCSC1=NC(C)(C)C[C@]2(C[C@@H](c3cccc(C)c3)c3ccc(O)c(O)c3O2)N1 ZINC000004160195 560601265 /nfs/dbraw/zinc/60/12/65/560601265.db2.gz OYESSJDMWWZZCH-MHECFPHRSA-N 0 0 424.566 5.064 40 30 HKEBRN C=CCSC1=NC(C)(C)C[C@]2(C[C@H](c3cccc(C)c3)c3ccc(O)c(O)c3O2)N1 ZINC000004160196 560601261 /nfs/dbraw/zinc/60/12/61/560601261.db2.gz OYESSJDMWWZZCH-HOYKHHGWSA-N 0 0 424.566 5.064 40 30 HKEBRN CCn1ncc(/C=N/N=C2\CC[C@H]3[C@H]4CCc5cc(O)ccc5[C@@H]4CC[C@]23C)c1C ZINC000004178699 560893510 /nfs/dbraw/zinc/89/35/10/560893510.db2.gz HYWJWQQIDDGRNG-NHPJUZASSA-N 0 0 404.558 5.248 40 30 HKEBRN CCn1ncc(/C=N/N=C2\CC[C@@H]3[C@H]4CCc5cc(O)ccc5[C@@H]4CC[C@]23C)c1C ZINC000004178702 560893511 /nfs/dbraw/zinc/89/35/11/560893511.db2.gz HYWJWQQIDDGRNG-AVZQPWJSSA-N 0 0 404.558 5.248 40 30 HKEBRN CCn1ncc(/C=N/N=C2\CC[C@H]3[C@H]4CCc5cc(O)ccc5[C@@H]4CC[C@@]23C)c1C ZINC000004178704 560893492 /nfs/dbraw/zinc/89/34/92/560893492.db2.gz HYWJWQQIDDGRNG-SBLWOBDDSA-N 0 0 404.558 5.248 40 30 HKEBRN CCn1ncc(/C=N/N=C2\CC[C@@H]3[C@H]4CCc5cc(O)ccc5[C@@H]4CC[C@@]23C)c1C ZINC000004178706 560893516 /nfs/dbraw/zinc/89/35/16/560893516.db2.gz HYWJWQQIDDGRNG-KOAXPVKMSA-N 0 0 404.558 5.248 40 30 HKEBRN Cc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(/N=C/c3ccc([N+](=O)[O-])cc3)cc1)N2 ZINC000004181659 560893507 /nfs/dbraw/zinc/89/35/07/560893507.db2.gz VOPFGQSZFQTNNB-LRAANZKUSA-N 0 0 409.489 6.480 40 30 HKEBRN Cc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(/N=C/c3ccc([N+](=O)[O-])cc3)cc1)N2 ZINC000004181661 560893537 /nfs/dbraw/zinc/89/35/37/560893537.db2.gz VOPFGQSZFQTNNB-FCLJUIRISA-N 0 0 409.489 6.480 40 30 HKEBRN Cc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(/N=C/c3cccc([N+](=O)[O-])c3)cc1)N2 ZINC000004181663 569321806 /nfs/dbraw/zinc/32/18/06/569321806.db2.gz DITRHTVVQVXPDB-LRAANZKUSA-N 0 0 409.489 6.480 40 30 HKEBRN Cc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(/N=C/c3cccc([N+](=O)[O-])c3)cc1)N2 ZINC000004181668 569321796 /nfs/dbraw/zinc/32/17/96/569321796.db2.gz DITRHTVVQVXPDB-FCLJUIRISA-N 0 0 409.489 6.480 40 30 HKEBRN Cc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(/N=C/c3ccc(N(C)C)cc3)cc1)N2 ZINC000004181718 560893567 /nfs/dbraw/zinc/89/35/67/560893567.db2.gz UAYSIFNVDLISKS-AYHGKFDGSA-N 0 0 407.561 6.638 40 30 HKEBRN Cc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(/N=C/c3ccc(N(C)C)cc3)cc1)N2 ZINC000004181724 560893541 /nfs/dbraw/zinc/89/35/41/560893541.db2.gz UAYSIFNVDLISKS-JHCGDMRDSA-N 0 0 407.561 6.638 40 30 HKEBRN S=C(NN=C1CSc2sc(=S)sc2SC1)Nc1ccccc1 ZINC000004182297 557525780 /nfs/dbraw/zinc/52/57/80/557525780.db2.gz ZVGYLFJGUNVASP-UHFFFAOYSA-N 0 0 401.654 5.079 40 30 HKEBRN COC1(O[C@H]2CC[C@H]3[C@@H]4CC[C@H]5CC(=O)C=C[C@]5(C)[C@H]4CC[C@]23C)CCCCC1 ZINC000004216868 557529361 /nfs/dbraw/zinc/52/93/61/557529361.db2.gz AGGYYWICUTUTCC-NMTVEPIMSA-N 0 0 400.603 6.066 40 30 in-man HKEBRN C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2OC(=O)Cc1ccccc1 ZINC000004217533 557529687 /nfs/dbraw/zinc/52/96/87/557529687.db2.gz WIJSFCWRMNIREB-ZLQWOROUSA-N 0 0 406.566 5.673 40 30 in-man HKEBRN C(=C/c1cc2c(cc1/N=C/c1ccccc1)N[C@H](c1ccccc1)C2)\c1ccccc1 ZINC000004235253 557530612 /nfs/dbraw/zinc/53/06/12/557530612.db2.gz NNHUHSLDRWWVTG-RYJPUXHNSA-N 0 0 400.525 7.317 40 30 HKEBRN C(=C/c1cc2c(cc1/N=C/c1ccccc1)N[C@@H](c1ccccc1)C2)\c1ccccc1 ZINC000004235255 557530656 /nfs/dbraw/zinc/53/06/56/557530656.db2.gz NNHUHSLDRWWVTG-FRTRIPLYSA-N 0 0 400.525 7.317 40 30 HKEBRN C(=N/c1cc2c(cc1CCc1ccccc1)C[C@@H](c1ccccc1)N2)\c1ccccc1 ZINC000004235259 557530707 /nfs/dbraw/zinc/53/07/07/557530707.db2.gz QBYUHOMJKCZKQO-PYRNPVBESA-N 0 0 402.541 6.932 40 30 HKEBRN C(=N/c1cc2c(cc1CCc1ccccc1)C[C@H](c1ccccc1)N2)\c1ccccc1 ZINC000004235261 557530645 /nfs/dbraw/zinc/53/06/45/557530645.db2.gz QBYUHOMJKCZKQO-HEWHHCIISA-N 0 0 402.541 6.932 40 30 HKEBRN O=C(c1ccccc1)N(C/C(=N/c1ccccc1)Nc1ccccc1)c1ccccc1 ZINC000004235302 557530630 /nfs/dbraw/zinc/53/06/30/557530630.db2.gz PGLQRKPDIJFEAM-UHFFFAOYSA-N 0 0 405.501 6.176 40 30 HKEBRN CN(C)c1ccc(/N=C(\C#N)c2ccc(/C(C#N)=N/c3ccc(N(C)C)cc3)cc2)cc1 ZINC000004235340 557530931 /nfs/dbraw/zinc/53/09/31/557530931.db2.gz ABPZHOIRPGJOLR-XDHTVYJESA-N 0 0 420.520 5.107 40 30 HKEBRN CC1(C)CC(=O)C2=C(C1)Nc1c3ccccc3ccc1[C@H]2c1ccc(Cl)cc1Cl ZINC000004235620 557530947 /nfs/dbraw/zinc/53/09/47/557530947.db2.gz RCCQAWFZFYDDSB-JOCHJYFZSA-N 0 0 422.355 7.347 40 30 HKEBRN CC1(C)CC(=O)C2=C(C1)Nc1c3ccccc3ccc1[C@@H]2c1ccc(Cl)cc1Cl ZINC000004235622 557530954 /nfs/dbraw/zinc/53/09/54/557530954.db2.gz RCCQAWFZFYDDSB-QFIPXVFZSA-N 0 0 422.355 7.347 40 30 HKEBRN Cc1ccc(C(=O)C=C2Nc3ccc(C)cc3NC2=CC(=O)c2ccc(C)cc2)cc1 ZINC000004235727 557530903 /nfs/dbraw/zinc/53/09/03/557530903.db2.gz WSEURZABLMMBCG-URXAUHHJSA-N 0 0 408.501 5.983 40 30 HKEBRN COc1ccc(CC(=O)C2=CCC(c3ccccc3)(c3ccccc3)CC2)cc1OC ZINC000004264995 557533498 /nfs/dbraw/zinc/53/34/98/557533498.db2.gz FCIOXQWBNAQFDH-UHFFFAOYSA-N 0 0 412.529 5.912 40 30 HKEBRN O=C(Cc1ccc(N=Cc2ccccc2)cc1)c1ccc(N=Cc2ccccc2)cc1 ZINC000004266558 557533821 /nfs/dbraw/zinc/53/38/21/557533821.db2.gz YKQROWQLOVJYHP-RZEGEWEPSA-N 0 0 402.497 6.613 40 30 HKEBRN C/C(=C\C(C)=N/NS(=O)(=O)c1ccc(C)cc1)c1ccc(-c2ccccc2)cc1 ZINC000004273548 557534388 /nfs/dbraw/zinc/53/43/88/557534388.db2.gz KUZSGNNJPFTMBN-YOSHRXIXSA-N 0 0 404.535 5.420 40 30 HKEBRN N#Cc1ccc(CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccccc2)cc1 ZINC000004286005 568958915 /nfs/dbraw/zinc/95/89/15/568958915.db2.gz GGTXHQWTIXLZFY-UHFFFAOYSA-N 0 0 402.910 5.752 40 30 HKEBRN CCc1c2cc(C)ccc2oc1CCC(C)N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000004293259 557537117 /nfs/dbraw/zinc/53/71/17/557537117.db2.gz SRFZRNYVNORIDG-HYARGMPZSA-N 0 0 410.430 5.541 40 30 HKEBRN CC(C)(C)C1=CC(=Nc2ccccc2-c2nc3ccccc3[nH]2)C=C(C(C)(C)C)C1=O ZINC000004323087 560605215 /nfs/dbraw/zinc/60/52/15/560605215.db2.gz KEZPDAVVGVYFHV-UHFFFAOYSA-N 0 0 411.549 6.830 40 30 HKEBRN C=CCn1c(SCc2cccc(Cl)c2)nnc1-c1ccc(OC)c(OC)c1 ZINC000004345252 560896189 /nfs/dbraw/zinc/89/61/89/560896189.db2.gz AURILXUDXTXPMD-UHFFFAOYSA-N 0 0 401.919 5.094 40 30 HKEBRN CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3C)=C(C)NC3=C2C(=O)CCC3)cc1 ZINC000004349278 560605824 /nfs/dbraw/zinc/60/58/24/560605824.db2.gz JNJQLNKOXILSCE-DEOSSOPVSA-N 0 0 416.521 5.000 40 30 HKEBRN CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3C)=C(C)NC3=C2C(=O)CCC3)cc1 ZINC000004349280 560605787 /nfs/dbraw/zinc/60/57/87/560605787.db2.gz JNJQLNKOXILSCE-XMMPIXPASA-N 0 0 416.521 5.000 40 30 HKEBRN Cc1ccc(Nc2nc(N=NC(C)c3ccccc3)nc(Nc3ccccc3)n2)c(C)c1 ZINC000004357620 560605394 /nfs/dbraw/zinc/60/53/94/560605394.db2.gz FQZXLNCNTJQGAG-DXJNIWACSA-N 0 0 423.524 5.812 40 30 HKEBRN C(=N\c1cccc(-c2nc3ccccc3o2)c1)\c1ccc(OCc2ccccc2)cc1 ZINC000004357684 557545800 /nfs/dbraw/zinc/54/58/00/557545800.db2.gz XGXXWDCSZXEJTQ-VEILYXNESA-N 0 0 404.469 6.824 40 30 HKEBRN Cc1cccc(NN=Cc2c(OC(=O)c3ccc(Cl)cc3)ccc3ccccc32)c1 ZINC000004357940 560605449 /nfs/dbraw/zinc/60/54/49/560605449.db2.gz RXDHAEBKYDBTMI-JVWAILMASA-N 0 0 414.892 6.467 40 30 HKEBRN Cc1cccc(-c2nc3cc(/N=C/c4c5ccccc5cc5ccccc54)ccc3o2)c1 ZINC000004358603 557546044 /nfs/dbraw/zinc/54/60/44/557546044.db2.gz AKGZNLKAULFGCR-UXHLAJHPSA-N 0 0 412.492 7.860 40 30 HKEBRN C=C1CC[C@@H]2C(C)(C)[C@@H](OC(C)=O)CC[C@]2(C)[C@H]1COc1ccc2ccc(=O)oc2c1 ZINC000004369757 560605433 /nfs/dbraw/zinc/60/54/33/560605433.db2.gz MNGYOFNIAOWXIT-TYDNGALESA-N 0 0 424.537 5.512 40 30 HKEBRN Cc1cccc2oc(-c3cccc(/N=C\c4ccc(OCc5ccccc5)cc4)c3)nc21 ZINC000004401889 557552293 /nfs/dbraw/zinc/55/22/93/557552293.db2.gz ASEOVCZPZJBRAE-MIXAMLLLSA-N 0 0 418.496 7.133 40 30 HKEBRN CCCCc1ccc(/N=C2/c3ccccc3N(CN(C)C3CCCCC3)C2=O)cc1 ZINC000004402420 557552258 /nfs/dbraw/zinc/55/22/58/557552258.db2.gz HLMSHXXCFHVBIQ-RFBIWTDZSA-N 0 0 403.570 5.719 40 30 HKEBRN Cc1cc(O)c(C(C)C)cc1N=C1C=C(Br)C(=O)C(Br)=C1 ZINC000004416894 557553564 /nfs/dbraw/zinc/55/35/64/557553564.db2.gz PHJUQKHDTFEQOE-UHFFFAOYSA-N 0 0 413.109 5.037 40 30 HKEBRN CSC1=N/C(=N\c2cccc(C)c2)C2(CCCCC2)N1c1cc([N+](=O)[O-])ccc1C ZINC000004455805 568934128 /nfs/dbraw/zinc/93/41/28/568934128.db2.gz LLEFFDVJFJARSU-FLFQWRMESA-N 0 0 422.554 6.184 40 30 HKEBRN C[C@H]1CC2=CCCC(C)(C)[C@@H]2C[C@@H]1CN=Nc1nnc2c3ccccc3n(C)c2n1 ZINC000004457572 569323192 /nfs/dbraw/zinc/32/31/92/569323192.db2.gz NDSONPMOFYKBTC-PMVBMNASSA-N 0 0 402.546 5.323 40 30 HKEBRN C[C@H]1CC2=CCCC(C)(C)[C@H]2C[C@@H]1CN=Nc1nnc2c3ccccc3n(C)c2n1 ZINC000004457574 569323232 /nfs/dbraw/zinc/32/32/32/569323232.db2.gz NDSONPMOFYKBTC-LURNLPSUSA-N 0 0 402.546 5.323 40 30 HKEBRN COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)Nc1ccccc1N[C@H]2c1ccc(C(C)C)cc1 ZINC000004458580 560896716 /nfs/dbraw/zinc/89/67/16/560896716.db2.gz BPBWXYUJJPCQEA-AECOYVPUSA-N 0 0 404.510 5.041 40 30 HKEBRN COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)Nc1ccccc1N[C@H]2c1ccc(C(C)C)cc1 ZINC000004458582 560896742 /nfs/dbraw/zinc/89/67/42/560896742.db2.gz BPBWXYUJJPCQEA-XFEAKLGESA-N 0 0 404.510 5.041 40 30 HKEBRN COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)Nc1ccccc1N[C@@H]2c1ccc(C(C)C)cc1 ZINC000004458583 560896801 /nfs/dbraw/zinc/89/68/01/560896801.db2.gz BPBWXYUJJPCQEA-YCASGBEESA-N 0 0 404.510 5.041 40 30 HKEBRN COc1cccc(/C=N/c2ccc3oc(-c4cc5ccccc5cc4O)nc3c2)c1O ZINC000004460250 557556215 /nfs/dbraw/zinc/55/62/15/557556215.db2.gz SKWCINCNIWIHCJ-VULFUBBASA-N 0 0 410.429 5.818 40 30 HKEBRN C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC/C2=N\N=C\c1ccc(F)cc1 ZINC000004460371 569328346 /nfs/dbraw/zinc/32/83/46/569328346.db2.gz AMLPMOKTYSXKFI-IYHPRSCZSA-N 0 0 408.561 5.924 40 30 HKEBRN C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC/C2=N\N=C\C=C\c1ccco1 ZINC000004460391 560607073 /nfs/dbraw/zinc/60/70/73/560607073.db2.gz UMTNXSOYNXUORQ-DIHMQSKWSA-N 0 0 406.570 6.043 40 30 HKEBRN O=C(Oc1ccc2ccccc2c1C=NNc1ccccc1)c1ccc(Cl)cc1 ZINC000004461644 557556228 /nfs/dbraw/zinc/55/62/28/557556228.db2.gz FNRRSEPRFHKEJF-WGOQTCKBSA-N 0 0 400.865 6.158 40 30 HKEBRN C=C1CC[C@H](O)C/C1=C/C=C1/CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)CC[C@@H](O)C(C)(C)O ZINC000004474661 568963734 /nfs/dbraw/zinc/96/37/34/568963734.db2.gz FCKJYANJHNLEEP-CQBBTHHPSA-N 0 0 416.646 5.705 40 30 HKEBRN Ic1ccc(NC2=NC3(CCCCC3)Cc3ccccc32)cc1 ZINC000004492374 568934608 /nfs/dbraw/zinc/93/46/08/568934608.db2.gz FQJKDEJLRGEVPE-UHFFFAOYSA-N 0 0 416.306 5.218 40 30 HKEBRN N#CCOc1ccc(/C=C2/S/C(=N\c3ccccc3)N(C3CCCCC3)C2=O)cc1 ZINC000004503132 557560651 /nfs/dbraw/zinc/56/06/51/557560651.db2.gz FDGJITHWZJLLDK-GVPYCIPCSA-N 0 0 417.534 5.526 40 30 HKEBRN S=C(NCc1ccccc1)N/N=C\c1ccc(Sc2ccc(Cl)cc2)o1 ZINC000004512121 557561873 /nfs/dbraw/zinc/56/18/73/557561873.db2.gz GQPFSITWAISRMD-XKZIYDEJSA-N 0 0 401.944 5.082 40 30 HKEBRN CCCCc1ccc(-n2c(C)cc(/C=C3\S/C(=N/CC)N(CC)C3=O)c2C)cc1 ZINC000004514220 568934756 /nfs/dbraw/zinc/93/47/56/568934756.db2.gz BKDGCRDCQZTYJL-YFGQCYJXSA-N 0 0 409.599 5.749 40 30 HKEBRN CC[C@@H](C)Oc1ccccc1/C=C1/S/C(=N\c2ccccc2)N(CCOC)C1=O ZINC000004526069 557563878 /nfs/dbraw/zinc/56/38/78/557563878.db2.gz LCMFHQBGNUPBCX-MDANPUHLSA-N 0 0 410.539 5.114 40 30 HKEBRN CC[C@H](C)Oc1ccccc1/C=C1/S/C(=N\c2ccccc2)N(CCOC)C1=O ZINC000004526070 557563812 /nfs/dbraw/zinc/56/38/12/557563812.db2.gz LCMFHQBGNUPBCX-ICRDQPGQSA-N 0 0 410.539 5.114 40 30 HKEBRN Oc1ccccc1[C@@H](/N=C/c1ccccc1)[C@H](/N=C/c1ccccc1)c1ccccc1O ZINC000004529211 557564056 /nfs/dbraw/zinc/56/40/56/557564056.db2.gz MEEPXMIKAVXUMF-VENLXOIHSA-N 0 0 420.512 6.118 40 30 HKEBRN Oc1ccccc1[C@H](/N=C/c1ccccc1)[C@@H](/N=C/c1ccccc1)c1ccccc1O ZINC000004529213 557564105 /nfs/dbraw/zinc/56/41/05/557564105.db2.gz MEEPXMIKAVXUMF-LFOGQNNZSA-N 0 0 420.512 6.118 40 30 HKEBRN C=CCCCCCCCC(=O)Nc1ccc(N(c2ccncc2)c2ccccn2)nc1 ZINC000004531942 568963911 /nfs/dbraw/zinc/96/39/11/568963911.db2.gz WYOWTZYCIKRFOT-UHFFFAOYSA-N 0 0 415.541 6.197 40 30 HKEBRN CCOCCN1C(=O)/C(=C\c2ccc(-c3ccccc3)o2)S/C1=N\c1ccccc1 ZINC000004543603 557565239 /nfs/dbraw/zinc/56/52/39/557565239.db2.gz BDYFSJMEIVIFDE-AIQBXGKYSA-N 0 0 418.518 5.587 40 30 HKEBRN N#Cc1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccccc4F)C3=O)o2)cc1 ZINC000004545318 558662280 /nfs/dbraw/zinc/66/22/80/558662280.db2.gz PALUMFVISRAGBH-RGVLZGJSSA-N 0 0 404.422 5.194 40 30 HKEBRN CCOc1ccccc1NC(=O)c1c(/N=C\c2cccnc2)sc2c1CCCCC2 ZINC000004545634 557565495 /nfs/dbraw/zinc/56/54/95/557565495.db2.gz MMJQBNFCPJEPAV-QQXSKIMKSA-N 0 0 419.550 5.814 40 30 HKEBRN COc1ccccc1NC(=O)c1c(/N=C\c2ccc(C)o2)sc2c1CC[C@@H](C)C2 ZINC000004545645 557565503 /nfs/dbraw/zinc/56/55/03/557565503.db2.gz NCZUAVTYTIFJAP-GKBXUSSOSA-N 0 0 408.523 5.786 40 30 HKEBRN COc1ccccc1NC(=O)c1c(/N=C\c2ccc(C)o2)sc2c1CC[C@H](C)C2 ZINC000004545646 557565440 /nfs/dbraw/zinc/56/54/40/557565440.db2.gz NCZUAVTYTIFJAP-ARCFYCQJSA-N 0 0 408.523 5.786 40 30 HKEBRN COc1ccc(NC(=O)c2c3c(sc2/N=C\c2cccs2)CCCCC3)cc1 ZINC000004545792 557565575 /nfs/dbraw/zinc/56/55/75/557565575.db2.gz BWIVJQAUPVOWQC-UCQKPKSFSA-N 0 0 410.564 6.090 40 30 HKEBRN N#Cc1cc2oc3ccc4ccccc4c3c3ccc4ccccc4c3oc2cc1C#N ZINC000004547016 558662204 /nfs/dbraw/zinc/66/22/04/558662204.db2.gz JWXIEGINEIJSLO-UHFFFAOYSA-N 0 0 410.432 7.506 40 30 HKEBRN O=C1C=CC(=[NH+][N-]c2cccc3ccccc32)C=C1C=Nc1cccc2ccccc21 ZINC000004557820 557567851 /nfs/dbraw/zinc/56/78/51/557567851.db2.gz PDPXHMLOSZRRLX-AKLOZWKMSA-N 0 0 401.469 7.865 40 30 HKEBRN Brc1ccccc1/N=C/c1nnn(-c2ccccc2)c1-c1ccccc1 ZINC000004557840 557567880 /nfs/dbraw/zinc/56/78/80/557567880.db2.gz DCRUVHNMUIFDFN-HZHRSRAPSA-N 0 0 403.283 5.447 40 30 HKEBRN CC(C)(C)c1cc(-c2nnc3sc4cc(C#N)c(C#N)cc4n32)cc(C(C)(C)C)c1 ZINC000004575014 558740528 /nfs/dbraw/zinc/74/05/28/558740528.db2.gz KULQPGOWKDXGJF-UHFFFAOYSA-N 0 0 413.550 5.949 40 30 HKEBRN Clc1ccc(-c2ccc(CN=Nc3nncc(-c4ccccc4)n3)o2)c(Cl)c1 ZINC000004587310 560607857 /nfs/dbraw/zinc/60/78/57/560607857.db2.gz PMWKJCOFVTXZEM-FOKLQQMPSA-N 0 0 410.264 5.551 40 30 HKEBRN O=C1/C(=C\c2ccc3c(c2)OCO3)S/C(=N\c2ccccc2)N1c1ccccc1 ZINC000004595452 560607860 /nfs/dbraw/zinc/60/78/60/560607860.db2.gz OYLOYUKNSMPYKK-NFEGURHZSA-N 0 0 400.459 5.224 40 30 HKEBRN CC(N=Nc1cc(-c2ccccc2)nc(-c2ccccc2)n1)c1cccc([N+](=O)[O-])c1 ZINC000004595642 560607869 /nfs/dbraw/zinc/60/78/69/560607869.db2.gz SXCDWDPPOPUGBT-PKAZHMFMSA-N 0 0 409.449 5.555 40 30 HKEBRN COc1ccc(CN=Nc2cc(-c3ccccc3)nc(-c3ccccc3)n2)c(OC)c1 ZINC000004595644 560607886 /nfs/dbraw/zinc/60/78/86/560607886.db2.gz JBVQCLVMZIMBDO-YZSQISJMSA-N 0 0 410.477 5.274 40 30 HKEBRN CCOc1ccc(CN=Nc2cc(-c3ccccc3)nc(-c3ccccc3)n2)c(O)c1 ZINC000004595646 560607866 /nfs/dbraw/zinc/60/78/66/560607866.db2.gz CRPBSTIIQUOCIH-YZSQISJMSA-N 0 0 410.477 5.361 40 30 HKEBRN CN(/N=C/c1cccc([N+](=O)[O-])c1)c1nc(-c2ccccc2)cc(-c2ccccc2)n1 ZINC000004595670 560607884 /nfs/dbraw/zinc/60/78/84/560607884.db2.gz CNHAANLJBFUPLI-KOEQRZSOSA-N 0 0 409.449 5.189 40 30 HKEBRN CN(/N=C/c1ccccc1[N+](=O)[O-])c1nc(-c2ccccc2)cc(-c2ccccc2)n1 ZINC000004595674 560607843 /nfs/dbraw/zinc/60/78/43/560607843.db2.gz BNGCQMBJDCEOQR-KOEQRZSOSA-N 0 0 409.449 5.189 40 30 HKEBRN CCCCCc1ccc(C(C)N=Nc2ccnc(SCc3ccccc3)n2)cc1 ZINC000004595757 560607899 /nfs/dbraw/zinc/60/78/99/560607899.db2.gz ZRYBDABARRFNMP-ZXVVBBHZSA-N 0 0 404.583 6.338 40 30 HKEBRN CCOc1ccc(/C=N/c2ccc(C3c4ccccc4Oc4ccccc43)cc2)cc1 ZINC000004596872 560607882 /nfs/dbraw/zinc/60/78/82/560607882.db2.gz CTPJMRYSBGNLCK-VUTHCHCSSA-N 0 0 405.497 7.122 40 30 HKEBRN O=C(/C=C/c1ccccc1)c1ccc2c3c1cccc3C(=O)N(c1ccccc1)C2=O ZINC000004611015 560608039 /nfs/dbraw/zinc/60/80/39/560608039.db2.gz RIRWPVRZGCNHFA-SAPNQHFASA-N 0 0 403.437 5.537 40 30 HKEBRN CCCOc1ccc([C@H]2Nc3ccc4ncccc4c3C3=C2C(=O)C[C@@H](C)O3)cc1 ZINC000004615361 557572739 /nfs/dbraw/zinc/57/27/39/557572739.db2.gz KDHIJIWTVNWYFK-OYLFLEFRSA-N 0 0 400.478 5.279 40 30 HKEBRN CCCOc1ccc([C@@H]2Nc3ccc4ncccc4c3C3=C2C(=O)C[C@@H](C)O3)cc1 ZINC000004615362 557572709 /nfs/dbraw/zinc/57/27/09/557572709.db2.gz KDHIJIWTVNWYFK-MYYSRTQBSA-N 0 0 400.478 5.279 40 30 HKEBRN CCCOc1ccc([C@H]2Nc3ccc4ncccc4c3C3=C2C(=O)C[C@H](C)O3)cc1 ZINC000004615364 557572714 /nfs/dbraw/zinc/57/27/14/557572714.db2.gz KDHIJIWTVNWYFK-IZHWHUGBSA-N 0 0 400.478 5.279 40 30 HKEBRN CCCOc1ccc([C@@H]2Nc3ccc4ncccc4c3C3=C2C(=O)C[C@H](C)O3)cc1 ZINC000004615366 557572759 /nfs/dbraw/zinc/57/27/59/557572759.db2.gz KDHIJIWTVNWYFK-OWJWWREXSA-N 0 0 400.478 5.279 40 30 HKEBRN O=C1CCCC2=C1[C@@H](c1ccc(Br)cc1)c1c(ccc3ncccc31)N2 ZINC000004615527 557572971 /nfs/dbraw/zinc/57/29/71/557572971.db2.gz LFOKAOMWLKUCCW-FQEVSTJZSA-N 0 0 405.295 5.562 40 30 HKEBRN O=C1CCCC2=C1[C@H](c1ccc(Br)cc1)c1c(ccc3ncccc31)N2 ZINC000004615530 557572947 /nfs/dbraw/zinc/57/29/47/557572947.db2.gz LFOKAOMWLKUCCW-HXUWFJFHSA-N 0 0 405.295 5.562 40 30 HKEBRN O=C1C[C@H](c2ccccc2)CC2=C1[C@H]([C@H]1CC=CCC1)Nc1ccc3ncccc3c12 ZINC000004615610 557572935 /nfs/dbraw/zinc/57/29/35/557572935.db2.gz PNMQXSJFYRIGPZ-BCDQWZCSSA-N 0 0 406.529 6.286 40 30 HKEBRN O=C1C[C@@H](c2ccccc2)CC2=C1[C@H]([C@H]1CC=CCC1)Nc1ccc3ncccc3c12 ZINC000004615612 557572959 /nfs/dbraw/zinc/57/29/59/557572959.db2.gz PNMQXSJFYRIGPZ-JVAKCPTJSA-N 0 0 406.529 6.286 40 30 HKEBRN O=C1C[C@H](c2ccccc2)CC2=C1[C@@H]([C@H]1CC=CCC1)Nc1ccc3ncccc3c12 ZINC000004615615 557572898 /nfs/dbraw/zinc/57/28/98/557572898.db2.gz PNMQXSJFYRIGPZ-TWUWCHPWSA-N 0 0 406.529 6.286 40 30 HKEBRN O=C1C[C@@H](c2ccccc2)CC2=C1[C@@H]([C@H]1CC=CCC1)Nc1ccc3ncccc3c12 ZINC000004615618 557572954 /nfs/dbraw/zinc/57/29/54/557572954.db2.gz PNMQXSJFYRIGPZ-URCRQUEMSA-N 0 0 406.529 6.286 40 30 HKEBRN O[C@@H](Cc1ccccc1)C(Cc1ccccc1)N=Nc1ccc(Br)cc1 ZINC000004617576 557573078 /nfs/dbraw/zinc/57/30/78/557573078.db2.gz OQKJETUUXLFLIA-SCIJIFGBSA-N 0 0 409.327 5.063 40 30 HKEBRN 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HKEBRN COc1cccc([C@H]2CC(=O)N(c3ccc(C)cc3)C3=C2C(=O)CC(C)(C)C3)c1OC ZINC000004944852 560616665 /nfs/dbraw/zinc/61/66/65/560616665.db2.gz FYLPOIIXBWOVLJ-LJQANCHMSA-N 0 0 419.521 5.176 40 30 HKEBRN COc1cccc([C@@H]2CC(=O)N(c3ccc(C)cc3)C3=C2C(=O)CC(C)(C)C3)c1OC ZINC000004944853 560616700 /nfs/dbraw/zinc/61/67/00/560616700.db2.gz FYLPOIIXBWOVLJ-IBGZPJMESA-N 0 0 419.521 5.176 40 30 HKEBRN COc1ccc([C@H]2CC(=O)N(c3ccc(C)cc3)C3=C2C(=O)CC(C)(C)C3)c(OC)c1 ZINC000004944854 560616660 /nfs/dbraw/zinc/61/66/60/560616660.db2.gz IQDPRDANKAMJJY-HXUWFJFHSA-N 0 0 419.521 5.176 40 30 HKEBRN COc1ccc([C@@H]2CC(=O)N(c3ccc(C)cc3)C3=C2C(=O)CC(C)(C)C3)c(OC)c1 ZINC000004944855 560616694 /nfs/dbraw/zinc/61/66/94/560616694.db2.gz IQDPRDANKAMJJY-FQEVSTJZSA-N 0 0 419.521 5.176 40 30 HKEBRN COc1ccc(OC)c([C@H]2CC(=O)N(c3ccc(C)cc3)C3=C2C(=O)CC(C)(C)C3)c1 ZINC000004944856 560616673 /nfs/dbraw/zinc/61/66/73/560616673.db2.gz WOMRYIHBIHWWAI-HXUWFJFHSA-N 0 0 419.521 5.176 40 30 HKEBRN COc1ccc(OC)c([C@@H]2CC(=O)N(c3ccc(C)cc3)C3=C2C(=O)CC(C)(C)C3)c1 ZINC000004944857 560616670 /nfs/dbraw/zinc/61/66/70/560616670.db2.gz WOMRYIHBIHWWAI-FQEVSTJZSA-N 0 0 419.521 5.176 40 30 HKEBRN COc1cccc([C@@H]2CC(=O)N(c3ccccc3F)C3=C2C(=O)CC(C)(C)C3)c1OC ZINC000004944860 560616680 /nfs/dbraw/zinc/61/66/80/560616680.db2.gz XDSPHNNPKCQHOI-INIZCTEOSA-N 0 0 423.484 5.007 40 30 HKEBRN COc1cccc([C@H]2CC(=O)N(c3ccccc3F)C3=C2C(=O)CC(C)(C)C3)c1OC ZINC000004944861 560616654 /nfs/dbraw/zinc/61/66/54/560616654.db2.gz XDSPHNNPKCQHOI-MRXNPFEDSA-N 0 0 423.484 5.007 40 30 HKEBRN COc1ccc([C@@H]2CC(=O)N(c3ccccc3F)C3=C2C(=O)CC(C)(C)C3)c(OC)c1 ZINC000004944862 560616692 /nfs/dbraw/zinc/61/66/92/560616692.db2.gz VEFKJWAKBKUZIW-KRWDZBQOSA-N 0 0 423.484 5.007 40 30 HKEBRN COc1ccc([C@H]2CC(=O)N(c3ccccc3F)C3=C2C(=O)CC(C)(C)C3)c(OC)c1 ZINC000004944863 560616687 /nfs/dbraw/zinc/61/66/87/560616687.db2.gz VEFKJWAKBKUZIW-QGZVFWFLSA-N 0 0 423.484 5.007 40 30 HKEBRN COc1ccc(OC)c([C@@H]2CC(=O)N(c3ccccc3F)C3=C2C(=O)CC(C)(C)C3)c1 ZINC000004944864 560616668 /nfs/dbraw/zinc/61/66/68/560616668.db2.gz IUHJQEMGYXVBAK-KRWDZBQOSA-N 0 0 423.484 5.007 40 30 HKEBRN COc1ccc(OC)c([C@H]2CC(=O)N(c3ccccc3F)C3=C2C(=O)CC(C)(C)C3)c1 ZINC000004944865 560616657 /nfs/dbraw/zinc/61/66/57/560616657.db2.gz IUHJQEMGYXVBAK-QGZVFWFLSA-N 0 0 423.484 5.007 40 30 HKEBRN COc1cccc([C@@H]2CC(=O)N(c3cccc(F)c3)C3=C2C(=O)CC(C)(C)C3)c1OC ZINC000004944866 560616662 /nfs/dbraw/zinc/61/66/62/560616662.db2.gz QYECAEXOGZYHOL-SFHVURJKSA-N 0 0 423.484 5.007 40 30 HKEBRN COc1cccc([C@H]2CC(=O)N(c3cccc(F)c3)C3=C2C(=O)CC(C)(C)C3)c1OC ZINC000004944867 560616681 /nfs/dbraw/zinc/61/66/81/560616681.db2.gz QYECAEXOGZYHOL-GOSISDBHSA-N 0 0 423.484 5.007 40 30 HKEBRN COc1ccc([C@@H]2CC(=O)N(c3cccc(F)c3)C3=C2C(=O)CC(C)(C)C3)c(OC)c1 ZINC000004944868 560616683 /nfs/dbraw/zinc/61/66/83/560616683.db2.gz VXUMUCZBNBAGGV-IBGZPJMESA-N 0 0 423.484 5.007 40 30 HKEBRN COc1ccc([C@H]2CC(=O)N(c3cccc(F)c3)C3=C2C(=O)CC(C)(C)C3)c(OC)c1 ZINC000004944869 560616659 /nfs/dbraw/zinc/61/66/59/560616659.db2.gz VXUMUCZBNBAGGV-LJQANCHMSA-N 0 0 423.484 5.007 40 30 HKEBRN COc1ccc(OC)c([C@@H]2CC(=O)N(c3cccc(F)c3)C3=C2C(=O)CC(C)(C)C3)c1 ZINC000004944870 560616690 /nfs/dbraw/zinc/61/66/90/560616690.db2.gz CKERWTNOGNCPBP-IBGZPJMESA-N 0 0 423.484 5.007 40 30 HKEBRN COc1ccc(OC)c([C@H]2CC(=O)N(c3cccc(F)c3)C3=C2C(=O)CC(C)(C)C3)c1 ZINC000004944871 560616675 /nfs/dbraw/zinc/61/66/75/560616675.db2.gz CKERWTNOGNCPBP-LJQANCHMSA-N 0 0 423.484 5.007 40 30 HKEBRN COc1cccc([C@@H]2CC(=O)N(c3ccc(F)cc3)C3=C2C(=O)CC(C)(C)C3)c1OC ZINC000004944872 560616702 /nfs/dbraw/zinc/61/67/02/560616702.db2.gz ILCDSNXRXPUGBH-SFHVURJKSA-N 0 0 423.484 5.007 40 30 HKEBRN COc1cccc([C@H]2CC(=O)N(c3ccc(F)cc3)C3=C2C(=O)CC(C)(C)C3)c1OC ZINC000004944873 560616663 /nfs/dbraw/zinc/61/66/63/560616663.db2.gz ILCDSNXRXPUGBH-GOSISDBHSA-N 0 0 423.484 5.007 40 30 HKEBRN COc1ccc([C@@H]2CC(=O)N(c3ccc(F)cc3)C3=C2C(=O)CC(C)(C)C3)c(OC)c1 ZINC000004944874 560616666 /nfs/dbraw/zinc/61/66/66/560616666.db2.gz XWRVJJFTZSALFH-IBGZPJMESA-N 0 0 423.484 5.007 40 30 HKEBRN COc1ccc([C@H]2CC(=O)N(c3ccc(F)cc3)C3=C2C(=O)CC(C)(C)C3)c(OC)c1 ZINC000004944875 560616677 /nfs/dbraw/zinc/61/66/77/560616677.db2.gz XWRVJJFTZSALFH-LJQANCHMSA-N 0 0 423.484 5.007 40 30 HKEBRN COc1ccc(OC)c([C@@H]2CC(=O)N(c3ccc(F)cc3)C3=C2C(=O)CC(C)(C)C3)c1 ZINC000004944876 560616685 /nfs/dbraw/zinc/61/66/85/560616685.db2.gz WAENLYQJYFMAOP-IBGZPJMESA-N 0 0 423.484 5.007 40 30 HKEBRN COc1ccc(OC)c([C@H]2CC(=O)N(c3ccc(F)cc3)C3=C2C(=O)CC(C)(C)C3)c1 ZINC000004944877 560616652 /nfs/dbraw/zinc/61/66/52/560616652.db2.gz WAENLYQJYFMAOP-LJQANCHMSA-N 0 0 423.484 5.007 40 30 HKEBRN C=C1C[C@@]2(c3ccccc3)C(=O)[C@]1(c1ccccc1)C(c1ccccc1)=C2c1ccccc1 ZINC000004945869 568964594 /nfs/dbraw/zinc/96/45/94/568964594.db2.gz CTODNONTMIKMLW-AJQTZOPKSA-N 0 0 424.543 7.016 40 30 HKEBRN O=C1ON(c2ccccc2)[C@H](c2ccc(OCc3ccccc3)cc2)N1c1ccccc1 ZINC000004946169 557616110 /nfs/dbraw/zinc/61/61/10/557616110.db2.gz RPXXGOVWXSNRAI-AREMUKBSSA-N 0 0 422.484 6.343 40 30 HKEBRN CC(C)CSc1nc(-c2ccc(Cl)cc2)cc(-c2ccc(Cl)cc2)c1C#N ZINC000004950052 560617113 /nfs/dbraw/zinc/61/71/13/560617113.db2.gz FFOXEQOXMWHYLK-UHFFFAOYSA-N 0 0 413.373 7.342 40 30 HKEBRN CCCCSc1nc(-c2ccc(Cl)cc2)cc(-c2ccc(Cl)cc2)c1C#N ZINC000004950059 560617070 /nfs/dbraw/zinc/61/70/70/560617070.db2.gz BWCRJMMYCRSWEN-UHFFFAOYSA-N 0 0 413.373 7.486 40 30 HKEBRN CCc1ccc(-c2csc(N=NC(C)c3ccc(Br)cc3)n2)cc1 ZINC000004957149 560617274 /nfs/dbraw/zinc/61/72/74/560617274.db2.gz IDRUFABSQDBGPT-LPYMAVHISA-N 0 0 400.345 5.971 40 30 HKEBRN Cc1ccc(C)c(-c2csc(N=NC(C)c3ccc(Br)cc3)n2)c1 ZINC000004957164 560617299 /nfs/dbraw/zinc/61/72/99/560617299.db2.gz DCVYNICZOSDGSB-HYARGMPZSA-N 0 0 400.345 6.026 40 30 HKEBRN Cc1ccc(C)c(-c2csc(N=NC(C)c3ccc(Cc4ccccc4)cc3)n2)c1 ZINC000004957165 560617303 /nfs/dbraw/zinc/61/73/03/560617303.db2.gz LRKIZADSDGZAFP-VFCFBJKWSA-N 0 0 411.574 6.854 40 30 HKEBRN COc1cccc2cc(/C(C)=N/Nc3nc(-c4cc(C)ccc4C)cs3)c(=O)oc21 ZINC000004957167 560617271 /nfs/dbraw/zinc/61/72/71/560617271.db2.gz MEQGXJPJYRWPMQ-MFKUBSTISA-N 0 0 419.506 5.378 40 30 HKEBRN Cc1ccc(-c2csc(N=NC(C)c3ccc(Br)cc3)n2)c(C)c1 ZINC000004957178 560617306 /nfs/dbraw/zinc/61/73/06/560617306.db2.gz NGPPIDUDRHWJGE-HYARGMPZSA-N 0 0 400.345 6.026 40 30 HKEBRN COc1cccc2cc(/C(C)=N/Nc3nc(-c4ccc(C)cc4C)cs3)c(=O)oc21 ZINC000004957180 560617276 /nfs/dbraw/zinc/61/72/76/560617276.db2.gz FPZPWOKQFNHEEK-MFKUBSTISA-N 0 0 419.506 5.378 40 30 HKEBRN CCOc1ccc(NC(=Nc2cccc3ccccc32)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000004959784 560620912 /nfs/dbraw/zinc/62/09/12/560620912.db2.gz PGJOXJWOCXYUDX-UHFFFAOYSA-N 0 0 411.461 6.337 40 30 HKEBRN COc1ccccc1CN1Cc2cc3cc(C)c(C)cc3nc2S/C1=N/CC(C)C ZINC000004967327 560622124 /nfs/dbraw/zinc/62/21/24/560622124.db2.gz SDSIVKWCPLDREJ-OCEACIFDSA-N 0 0 419.594 5.980 40 30 HKEBRN Cc1ccc(C)c2nc3c(cc12)CN(C1CCC(C)CC1)/C(=N\C[C@@H]1CCCO1)S3 ZINC000004969520 560622429 /nfs/dbraw/zinc/62/24/29/560622429.db2.gz WUCVXMXVSLDDSX-NYRITSKKSA-N 0 0 423.626 5.873 40 30 HKEBRN Cc1ccc(C)c2nc3c(cc12)CN(C1CCC(C)CC1)/C(=N\C[C@H]1CCCO1)S3 ZINC000004969521 560622461 /nfs/dbraw/zinc/62/24/61/560622461.db2.gz WUCVXMXVSLDDSX-VFIJAKHFSA-N 0 0 423.626 5.873 40 30 HKEBRN Cc1ccc(C)c2nc3c(cc12)CN(C1CCC(C)CC1)/C(=N\Cc1ccco1)S3 ZINC000004969525 560622440 /nfs/dbraw/zinc/62/24/40/560622440.db2.gz YZDOOIWBRQRNOS-OCEACIFDSA-N 0 0 419.594 6.487 40 30 HKEBRN Cc1cc2cc3c(nc2cc1C)S/C(=N/C[C@@H]1CCCO1)N(C1CCC(C)CC1)C3 ZINC000004969526 560622471 /nfs/dbraw/zinc/62/24/71/560622471.db2.gz BIQUWPVYQHIKBB-WWADIEQSSA-N 0 0 423.626 5.873 40 30 HKEBRN Cc1cc2cc3c(nc2cc1C)S/C(=N/C[C@H]1CCCO1)N(C1CCC(C)CC1)C3 ZINC000004969528 560622486 /nfs/dbraw/zinc/62/24/86/560622486.db2.gz BIQUWPVYQHIKBB-NAPNDLIJSA-N 0 0 423.626 5.873 40 30 HKEBRN Cc1cc2cc3c(nc2cc1C)S/C(=N/Cc1ccco1)N(C1CCC(C)CC1)C3 ZINC000004969529 560622424 /nfs/dbraw/zinc/62/24/24/560622424.db2.gz PPAOTFBYMNDLRL-OCEACIFDSA-N 0 0 419.594 6.487 40 30 HKEBRN Fc1ccc(COc2ccc(CN=Nc3nc(-c4ccccc4)cs3)cc2)cc1 ZINC000004975310 560736700 /nfs/dbraw/zinc/73/67/00/560736700.db2.gz VWIKDALXKVPLPU-AFUMVMLFSA-N 0 0 403.482 5.974 40 30 HKEBRN COc1ccc(/C=N/Nc2ncc(-c3cc4cc(Cl)ccc4oc3=O)s2)cc1 ZINC000004979662 568430092 /nfs/dbraw/zinc/43/00/92/568430092.db2.gz ZVMDNYIKECIBHZ-AUEPDCJTSA-N 0 0 411.870 5.025 40 30 HKEBRN COc1cccc2cc(-c3csc(N/N=C/c4ccccc4Cl)n3)c(=O)oc21 ZINC000004980086 560622849 /nfs/dbraw/zinc/62/28/49/560622849.db2.gz AXTHDGCRYXMDAK-LSHDLFTRSA-N 0 0 411.870 5.025 40 30 HKEBRN COc1ccccc1/C=N/Nc1nc(-c2cc3cc(Cl)ccc3oc2=O)cs1 ZINC000004980089 560622854 /nfs/dbraw/zinc/62/28/54/560622854.db2.gz CFDVZZWSTATQCD-LSHDLFTRSA-N 0 0 411.870 5.025 40 30 HKEBRN COc1cccc(/C=N/Nc2nc(-c3cc4cc(Cl)ccc4oc3=O)cs2)c1 ZINC000004980100 560622811 /nfs/dbraw/zinc/62/28/11/560622811.db2.gz MKZPWKQZFGFWFR-LSHDLFTRSA-N 0 0 411.870 5.025 40 30 HKEBRN COc1cccc(CN=Nc2nc(-c3ccc(Sc4ccccc4)cc3)cs2)c1 ZINC000004980103 560622903 /nfs/dbraw/zinc/62/29/03/560622903.db2.gz QDBJBTJAPOUXAI-BUVRLJJBSA-N 0 0 417.559 6.416 40 30 HKEBRN CC(C)(C)C#CSc1nsc(NC(=O)Nc2ccc(C(F)(F)F)cc2)n1 ZINC000004984724 560692615 /nfs/dbraw/zinc/69/26/15/560692615.db2.gz QYCXKVQSCBGSFB-UHFFFAOYSA-N 0 0 400.451 5.300 40 30 HKEBRN O=C1c2ccccc2C2=C1c1ccccc1[C@]1(c3ccccc3)C(=O)c3ccccc3[C@@H]21 ZINC000004991493 557622058 /nfs/dbraw/zinc/62/20/58/557622058.db2.gz OCZDUWQNWOTEFF-FIBWVYCGSA-N 0 0 410.472 6.074 40 30 HKEBRN CCc1ccc([C@H]2C(C(=O)Nc3ccccc3C)=C(C)NC3=C2C(=O)CCC3)cc1 ZINC000004993234 560619491 /nfs/dbraw/zinc/61/94/91/560619491.db2.gz VJEHNGRJRSDSME-DEOSSOPVSA-N 0 0 400.522 5.164 40 30 HKEBRN CCc1ccc([C@@H]2C(C(=O)Nc3ccccc3C)=C(C)NC3=C2C(=O)CCC3)cc1 ZINC000004993236 560619474 /nfs/dbraw/zinc/61/94/74/560619474.db2.gz VJEHNGRJRSDSME-XMMPIXPASA-N 0 0 400.522 5.164 40 30 HKEBRN CC(=O)C1=C(Nc2ccc(C)cc2)C[C@](C)(O)[C@@H](C(C)=O)[C@H]1c1ccc(Cl)cc1 ZINC000004994062 560736702 /nfs/dbraw/zinc/73/67/02/560736702.db2.gz XTKZJHFSALKYOC-HJOGWXRNSA-N 0 0 411.929 5.047 40 30 HKEBRN CC(=O)C1=C(Nc2ccc(C)cc2)C[C@](C)(O)[C@@H](C(C)=O)[C@@H]1c1ccc(Cl)cc1 ZINC000004994063 560736703 /nfs/dbraw/zinc/73/67/03/560736703.db2.gz XTKZJHFSALKYOC-SGNDLWITSA-N 0 0 411.929 5.047 40 30 HKEBRN CC(=O)C1=C(Nc2ccc(C)cc2)C[C@](C)(O)[C@H](C(C)=O)[C@H]1c1ccc(Cl)cc1 ZINC000004994064 560736724 /nfs/dbraw/zinc/73/67/24/560736724.db2.gz XTKZJHFSALKYOC-VXNXHJTFSA-N 0 0 411.929 5.047 40 30 HKEBRN CC(=O)C1=C(Nc2ccc(C)cc2)C[C@](C)(O)[C@H](C(C)=O)[C@@H]1c1ccc(Cl)cc1 ZINC000004994065 560736706 /nfs/dbraw/zinc/73/67/06/560736706.db2.gz XTKZJHFSALKYOC-SMIHKQSGSA-N 0 0 411.929 5.047 40 30 HKEBRN Cc1ccc(NC(=NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c2ccccc2)cc1 ZINC000005002708 557624199 /nfs/dbraw/zinc/62/41/99/557624199.db2.gz PWYAOWIMGLNCKI-UHFFFAOYSA-N 0 0 414.387 5.808 40 30 HKEBRN CC(N=Nc1nc(-c2ccccc2)cc(-c2ccc(Cl)cc2)n1)c1ccc(F)cc1 ZINC000005002841 560620430 /nfs/dbraw/zinc/62/04/30/560620430.db2.gz DMVDDXFIFIBCFN-MWLSYYOVSA-N 0 0 416.887 6.439 40 30 HKEBRN CCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N\c1ccc(Cl)cc1 ZINC000005003040 560620426 /nfs/dbraw/zinc/62/04/26/560620426.db2.gz HHRGCTXEENQSGY-HSHHTGOPSA-N 0 0 401.944 5.334 40 30 HKEBRN CCCCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N\c1ccc(C)cc1 ZINC000005003045 560620410 /nfs/dbraw/zinc/62/04/10/560620410.db2.gz MQGWPBOFGGSNAI-BEIQUOEZSA-N 0 0 409.580 5.769 40 30 HKEBRN CN(C)c1ccc(N=NC(=NN=c2[nH]c3ccccc3s2)c2ccccc2)cc1 ZINC000005003199 560620451 /nfs/dbraw/zinc/62/04/51/560620451.db2.gz VUDVIZYUGMAEPG-VVEBWWBVSA-N 0 0 400.511 5.920 40 30 HKEBRN COc1ccc(-c2cc(-c3ccc(C)cc3)nc(N=NCc3ccccc3O)n2)cc1 ZINC000005003258 560620460 /nfs/dbraw/zinc/62/04/60/560620460.db2.gz KLPCRBDFHNHFHE-WGOQTCKBSA-N 0 0 410.477 5.279 40 30 HKEBRN COc1ccc(-c2cc(-c3ccccc3)nc(N=NCc3ccc(N(C)C)cc3)n2)cc1 ZINC000005003262 557624147 /nfs/dbraw/zinc/62/41/47/557624147.db2.gz NARXVLMTDDFNHK-OVVQPSECSA-N 0 0 423.520 5.331 40 30 HKEBRN CN(/N=C/c1ccc([N+](=O)[O-])cc1)c1nc(-c2ccccc2)cc(-c2ccccc2)n1 ZINC000005003340 560620421 /nfs/dbraw/zinc/62/04/21/560620421.db2.gz CHINCEGUJIXWBS-KOEQRZSOSA-N 0 0 409.449 5.189 40 30 HKEBRN Cc1ccc(-c2cc(-c3ccccc3)nc(N=NCc3ccccc3[N+](=O)[O-])n2)cc1 ZINC000005003349 560620415 /nfs/dbraw/zinc/62/04/15/560620415.db2.gz DMBXGTOZHLKJNU-PCLIKHOPSA-N 0 0 409.449 5.473 40 30 HKEBRN Cc1ccc(-c2cc(-c3ccccc3)nc(N=NCc3ccc(O)c(C)c3O)n2)cc1 ZINC000005003352 560620578 /nfs/dbraw/zinc/62/05/78/560620578.db2.gz TVOZAFYHSMULEA-CVKSISIWSA-N 0 0 410.477 5.285 40 30 HKEBRN COc1cccc(CN=Nc2nc(-c3ccccc3)cc(-c3ccc(C)cc3)n2)c1O ZINC000005003353 560620569 /nfs/dbraw/zinc/62/05/69/560620569.db2.gz OYYVLISDLPJMDI-WGOQTCKBSA-N 0 0 410.477 5.279 40 30 HKEBRN Clc1cccc(CN=Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)c1 ZINC000005003436 560736689 /nfs/dbraw/zinc/73/66/89/560736689.db2.gz ANXCEZKUHPWZQX-BUVRLJJBSA-N 0 0 415.888 5.458 40 30 HKEBRN COc1ccc(-c2cc(-c3ccccc3)nc(N=NCc3ccccc3)n2)cc1OC ZINC000005003459 560620552 /nfs/dbraw/zinc/62/05/52/560620552.db2.gz QNKZGIRYGQOZBQ-YZSQISJMSA-N 0 0 410.477 5.274 40 30 HKEBRN O=[N+]([O-])c1cccc(/C=N/c2ccc(C3c4ccccc4Oc4ccccc43)cc2)c1 ZINC000005003572 557624218 /nfs/dbraw/zinc/62/42/18/557624218.db2.gz JAWHGQOABZHCNB-WPWMEQJKSA-N 0 0 406.441 6.631 40 30 HKEBRN CCCCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N\c1cccc(C)c1 ZINC000005003627 560620557 /nfs/dbraw/zinc/62/05/57/560620557.db2.gz AMUNEISMFRRGGT-BEIQUOEZSA-N 0 0 409.580 5.769 40 30 HKEBRN CCOc1ccc(/N=C2\S/C(=C3\Sc4ccccc4N3C)C(=O)N2CC)cc1 ZINC000005003670 560620600 /nfs/dbraw/zinc/62/06/00/560620600.db2.gz VKNCSUCMZDQDLN-QHQVFXOCSA-N 0 0 411.552 5.079 40 30 HKEBRN CCOC(=O)/C(=C\c1ccc(-c2cc(Cl)ccc2Cl)o1)C(=O)c1ccccc1 ZINC000005005435 560620572 /nfs/dbraw/zinc/62/05/72/560620572.db2.gz UEBJBAWYSOEVAY-AQTBWJFISA-N 0 0 415.272 6.083 40 30 HKEBRN Cc1cc2nc(-c3cc(/N=C/C=C\c4ccccc4[N+](=O)[O-])ccc3O)oc2c(C)c1 ZINC000005005911 560620662 /nfs/dbraw/zinc/62/06/62/560620662.db2.gz RQMQLZTWYYQCKQ-CLFCUDMKSA-N 0 0 413.433 6.141 40 30 HKEBRN Cc1c(C#N)c(NC(=O)CCc2ccccc2)sc1C(=O)Nc1ccccc1C ZINC000005006820 560620688 /nfs/dbraw/zinc/62/06/88/560620688.db2.gz HIFVCAIDVINJTR-UHFFFAOYSA-N 0 0 403.507 5.060 40 30 HKEBRN COc1ccc2oc(=O)c(C(C)=NNc3nc(-c4cc(C)ccc4C)cs3)cc2c1 ZINC000005008132 560620796 /nfs/dbraw/zinc/62/07/96/560620796.db2.gz BMMBDIRVQYTYKG-MFKUBSTISA-N 0 0 419.506 5.378 40 30 HKEBRN COc1ccc(-c2nc3c4ccccc4ccn3c2C(=O)/C=C/c2cccs2)cc1 ZINC000005027702 560623853 /nfs/dbraw/zinc/62/38/53/560623853.db2.gz IDPHSLSUQOVNFW-OUKQBFOZSA-N 0 0 410.498 6.121 40 30 HKEBRN S=C(N/N=C/c1cccc(OCc2ccccc2)c1)NC12CC3CC(CC(C3)C1)C2 ZINC000005030444 557627967 /nfs/dbraw/zinc/62/79/67/557627967.db2.gz HYKDFLSUZPTTJJ-WGOQTCKBSA-N 0 0 419.594 5.032 40 30 HKEBRN C(=N\N=C1c2ccccc2-c2ccccc21)\c1ccc2ccc3cccc4ccc1c2c34 ZINC000005031759 557628186 /nfs/dbraw/zinc/62/81/86/557628186.db2.gz WAQJPXMFDURXBM-MNBJERMJSA-N 0 0 406.488 7.436 40 30 HKEBRN Clc1ccc(N2CCN(/N=C\c3cccc(OCc4ccccc4)c3)CC2)cc1 ZINC000005033888 557628397 /nfs/dbraw/zinc/62/83/97/557628397.db2.gz ZIAVFDRZQDMGLS-ITYLOYPMSA-N 0 0 405.929 5.075 40 30 HKEBRN C=CCc1c2occ(-c3ccc(OC)cc3)c2cc2c(-c3ccccc3)cc(=O)oc21 ZINC000005037537 291283011 /nfs/dbraw/zinc/28/30/11/291283011.db2.gz HUFHLNVSELTDCZ-UHFFFAOYSA-N 0 0 408.453 6.610 40 30 biogenic,in-vitro HKEBRN c1ccc(CC/C(=N/N=C(/CCc2ccccc2)c2ccccc2)c2ccccc2)cc1 ZINC000005049419 557630129 /nfs/dbraw/zinc/63/01/29/557630129.db2.gz AROHHHHPQBMXPI-SZDCHMHBSA-N 0 0 416.568 7.146 40 30 HKEBRN O=C1C(c2ccccc2)=C2c3ccccc3-c3ccccc3[C@]2(O)[C@@H]1c1ccccc1 ZINC000005052008 557630711 /nfs/dbraw/zinc/63/07/11/557630711.db2.gz LHPXMMJJEPOBSZ-UHSQPCAPSA-N 0 0 400.477 5.832 40 30 HKEBRN O=C1C(c2ccccc2)=C2c3ccccc3-c3ccccc3[C@]2(O)[C@H]1c1ccccc1 ZINC000005052010 557630739 /nfs/dbraw/zinc/63/07/39/557630739.db2.gz LHPXMMJJEPOBSZ-WNJJXGMVSA-N 0 0 400.477 5.832 40 30 HKEBRN O=C1C(c2ccccc2)=C2c3ccccc3-c3ccccc3[C@@]2(O)[C@@H]1c1ccccc1 ZINC000005052012 557630757 /nfs/dbraw/zinc/63/07/57/557630757.db2.gz LHPXMMJJEPOBSZ-GGXMVOPNSA-N 0 0 400.477 5.832 40 30 HKEBRN O=C1C(c2ccccc2)=C2c3ccccc3-c3ccccc3[C@@]2(O)[C@H]1c1ccccc1 ZINC000005052014 557630778 /nfs/dbraw/zinc/63/07/78/557630778.db2.gz LHPXMMJJEPOBSZ-LITSAYRRSA-N 0 0 400.477 5.832 40 30 HKEBRN COc1ccccc1[C@H]1C[C@@H](C(C)(C)C)CC[C@H]1OS(=O)(=O)c1ccc(C)cc1 ZINC000005052388 557630774 /nfs/dbraw/zinc/63/07/74/557630774.db2.gz CTIKJEGHAWYEMW-QTGUNEKASA-N 0 0 416.583 5.708 40 30 HKEBRN COc1ccccc1[C@H]1C[C@@H](C(C)(C)C)CC[C@@H]1OS(=O)(=O)c1ccc(C)cc1 ZINC000005052389 557630717 /nfs/dbraw/zinc/63/07/17/557630717.db2.gz CTIKJEGHAWYEMW-ZEYPLWLESA-N 0 0 416.583 5.708 40 30 HKEBRN COc1ccccc1[C@H]1C[C@H](C(C)(C)C)CC[C@H]1OS(=O)(=O)c1ccc(C)cc1 ZINC000005052390 557630737 /nfs/dbraw/zinc/63/07/37/557630737.db2.gz CTIKJEGHAWYEMW-JMUQELJHSA-N 0 0 416.583 5.708 40 30 HKEBRN COc1ccccc1[C@H]1C[C@H](C(C)(C)C)CC[C@@H]1OS(=O)(=O)c1ccc(C)cc1 ZINC000005052391 557630726 /nfs/dbraw/zinc/63/07/26/557630726.db2.gz CTIKJEGHAWYEMW-AAIMPIBUSA-N 0 0 416.583 5.708 40 30 HKEBRN CC(=O)O/N=C(\C(c1ccccc1)c1ccccc1)C1c2ccccc2-c2ccccc21 ZINC000005062793 557633049 /nfs/dbraw/zinc/63/30/49/557633049.db2.gz DUZZOVJIFCTLFK-QVIHXGFCSA-N 0 0 417.508 6.550 40 30 HKEBRN COc1ccc(C([NH2+]Nc2ccccc2)=C(C)C([O-])(C(F)(F)F)C(F)(F)F)cc1 ZINC000005065299 557633585 /nfs/dbraw/zinc/63/35/85/557633585.db2.gz KNOFAXSPFPCKBS-FLXRKUMRSA-N 0 0 420.353 5.003 40 30 HKEBRN COc1ccc(C([NH2+]Nc2ccccc2)=C(C)C([O-])(C(F)(F)F)C(F)(F)F)cc1 ZINC000005065301 557633534 /nfs/dbraw/zinc/63/35/34/557633534.db2.gz KNOFAXSPFPCKBS-PBIBQNEFSA-N 0 0 420.353 5.003 40 30 HKEBRN C[C@@]12C[C@@H](CC(C)(C)C1)N(/C=N/c1oc(-c3ccccc3)c(-c3ccccc3)c1C#N)C2 ZINC000005072253 568432347 /nfs/dbraw/zinc/43/23/47/568432347.db2.gz AWSVALBOQMCMAS-SNKJELKMSA-N 0 0 423.560 7.046 40 30 HKEBRN c1ccc(N=NC2=CC(c3ccccc3)[C@H](c3ccccc3)[C@H](c3ccccc3)C2)cc1 ZINC000005104034 557636649 /nfs/dbraw/zinc/63/66/49/557636649.db2.gz ZXQLPFHZTSVVFY-LISWHPGLSA-N 0 0 414.552 7.509 40 30 HKEBRN c1ccc(N=NC2=CC(c3ccccc3)[C@H](c3ccccc3)[C@@H](c3ccccc3)C2)cc1 ZINC000005104035 557636634 /nfs/dbraw/zinc/63/66/34/557636634.db2.gz ZXQLPFHZTSVVFY-UIXFFJCMSA-N 0 0 414.552 7.509 40 30 HKEBRN C=CCn1c(SCC(=O)Nc2cc(C)ccc2C)nnc1-c1ccc(Cl)cc1 ZINC000005130518 560736974 /nfs/dbraw/zinc/73/69/74/560736974.db2.gz PZDSSPGPLGSREM-UHFFFAOYSA-N 0 0 412.946 5.132 40 30 HKEBRN C=C1CCCC(C)(C)[C@H]1CC/C(C)=C\Cn1c2ccccc2nc2c(=O)cccc1-2 ZINC000005132235 568964972 /nfs/dbraw/zinc/96/49/72/568964972.db2.gz APNRZHLOPQFNMR-XBXLIOEISA-N 0 0 400.566 6.610 40 30 HKEBRN CC(C)c1ccc(/C=C\C(=O)c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000005189615 568442614 /nfs/dbraw/zinc/44/26/14/568442614.db2.gz YOECDDSOMRIUPA-BNCCVWRVSA-N 0 0 415.445 5.834 40 30 HKEBRN C=C(C)[C@@H](CC=C(C)C)Cc1c(O)ccc(C(=O)/C=C/c2ccc(O)cc2O)c1O ZINC000005222872 568442805 /nfs/dbraw/zinc/44/28/05/568442805.db2.gz BGZLDYWPLZVXDX-MZEUMTGBSA-N 0 0 408.494 5.496 40 30 HKEBRN C=C(C)[C@H](CC=C(C)C)Cc1c(O)ccc(C(=O)/C=C/c2ccc(O)cc2O)c1O ZINC000005222883 568442763 /nfs/dbraw/zinc/44/27/63/568442763.db2.gz BGZLDYWPLZVXDX-VEGGFIAOSA-N 0 0 408.494 5.496 40 30 HKEBRN COc1cccc2cc(-c3csc(N/N=C(\C)c4ccc(C)cc4)n3)c(=O)oc21 ZINC000005234216 557640798 /nfs/dbraw/zinc/64/07/98/557640798.db2.gz XLHKCPQCVDRXJP-ZVHZXABRSA-N 0 0 405.479 5.070 40 30 HKEBRN COc1ccc2nc(C=Cc3ccccc3)cc([N-][NH+]=Cc3ccc(N(C)C)cc3)c2c1 ZINC000005248105 557641647 /nfs/dbraw/zinc/64/16/47/557641647.db2.gz OPLJPCSZVAADSJ-CCNGYCBBSA-N 0 0 422.532 5.926 40 30 HKEBRN COc1cc(CN=Nc2nc(-c3ccc(-c4ccccc4)cc3)cs2)ccc1O ZINC000005248814 568935546 /nfs/dbraw/zinc/93/55/46/568935546.db2.gz UUHBYTVILNQMMK-ZVHZXABRSA-N 0 0 401.491 5.637 40 30 HKEBRN COc1ccc(C=NNc2cc(C=Cc3ccccc3)nc3ccc(OC)cc32)cc1 ZINC000005249179 557641597 /nfs/dbraw/zinc/64/15/97/557641597.db2.gz MLRDYRWJEDJCJI-YWQNRBPGSA-N 0 0 409.489 5.868 40 30 HKEBRN CCCC(NN=c1[nH]c2ccccc2c2ccccc21)=C1C(=O)CC(C)(C)CC1=O ZINC000005250101 557641788 /nfs/dbraw/zinc/64/17/88/557641788.db2.gz XAALTPSGKZOLTC-UHFFFAOYSA-N 0 0 401.510 5.317 40 30 HKEBRN O=C(/C=C/c1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1)c1ccc(Cl)cc1 ZINC000005252454 557641920 /nfs/dbraw/zinc/64/19/20/557641920.db2.gz IWUOYBOYNSPSDX-IAGONARPSA-N 0 0 407.296 6.786 40 30 HKEBRN COc1ccc(-c2cs/c(=N\N=C\c3ccccc3)n2-c2ccccc2)cc1OC ZINC000005257352 568442874 /nfs/dbraw/zinc/44/28/74/568442874.db2.gz BKWJIZQIIWACGV-YJBIHYNGSA-N 0 0 415.518 5.158 40 30 HKEBRN CCc1nc2sc3c(c2c(N=NCc2ccc(OC(F)F)cc2)n1)CCCC3 ZINC000005257552 560625048 /nfs/dbraw/zinc/62/50/48/560625048.db2.gz MJLMDOJBNCKEPQ-FOKLQQMPSA-N 0 0 402.470 5.180 40 30 HKEBRN c1ccc2sc(N=NC3CCCC(N=Nc4nc5ccccc5s4)C3)nc2c1 ZINC000005257556 557642096 /nfs/dbraw/zinc/64/20/96/557642096.db2.gz VXEHKEGBVJQEMZ-GACBQCINSA-N 0 0 406.540 5.716 40 30 HKEBRN CC(=O)C(C(=O)Nc1cccc2ccccc21)C(C)=Nc1cccc(C(F)(F)F)c1 ZINC000005260545 557642328 /nfs/dbraw/zinc/64/23/28/557642328.db2.gz MLZKIAFRWXXQLT-KGENOOAVSA-N 0 0 412.411 5.772 40 30 HKEBRN CC(=O)Nc1ccc(N2C3=C(CC4=C2CC(C)(C)CC4=O)C(=O)CC(C)(C)C3)cc1 ZINC000005260774 557642421 /nfs/dbraw/zinc/64/24/21/557642421.db2.gz KIZGVTZTLGKENK-UHFFFAOYSA-N 0 0 406.526 5.142 40 30 HKEBRN O=C(/C=C/c1ccccc1Cl)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000005277824 291298383 /nfs/dbraw/zinc/29/83/83/291298383.db2.gz PGHCKIMIZSPXQA-NTEUORMPSA-N 0 0 407.809 5.364 40 30 biogenic,in-vitro HKEBRN O=C(C=C(CC(=O)c1ccccc1)c1ccccc1)c1ccc(Br)cc1 ZINC000005278256 557643453 /nfs/dbraw/zinc/64/34/53/557643453.db2.gz WQFOHPJQUJYXQU-CAPFRKAQSA-N 0 0 405.291 5.988 40 30 HKEBRN C=CCOc1c(Br)cc(Br)cc1C=NNc1ccccc1 ZINC000005283133 557643446 /nfs/dbraw/zinc/64/34/46/557643446.db2.gz SNZFUKDXXJODHU-YBFXNURJSA-N 0 0 410.109 5.222 40 30 HKEBRN C=CCOc1c(Br)cc(Br)cc1/C=N/c1ccc(O)cc1 ZINC000005283134 557643469 /nfs/dbraw/zinc/64/34/69/557643469.db2.gz BFHSBMZEEXGMIB-VXLYETTFSA-N 0 0 411.093 5.233 40 30 HKEBRN COc1c(Br)cc(Br)cc1C=Nc1ccc(C(C)=O)cc1 ZINC000005283769 557643393 /nfs/dbraw/zinc/64/33/93/557643393.db2.gz DJCKAYWGYQBUEV-DJKKODMXSA-N 0 0 411.093 5.173 40 30 HKEBRN CC(C)(C)c1cc(CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc(C(C)(C)C)c1O ZINC000005293128 557643625 /nfs/dbraw/zinc/64/36/25/557643625.db2.gz ASRFRXSVYHLOEA-WSDLNYQXSA-N 0 0 414.462 5.250 40 30 HKEBRN CCCCCCOc1ccc(CN=Nc2nc(-c3ccc(Cl)cc3)cs2)cc1 ZINC000005297658 557643918 /nfs/dbraw/zinc/64/39/18/557643918.db2.gz WHMJEQCXNHJCSX-BUVRLJJBSA-N 0 0 413.974 6.869 40 30 HKEBRN CCCCOc1ccc(C(=O)/C=C/c2ccc(Cl)cc2Cl)cc1OCCCC ZINC000005298478 291292017 /nfs/dbraw/zinc/29/20/17/291292017.db2.gz NAMBJCHNETWBCH-DHZHZOJOSA-N 0 0 421.364 7.247 40 30 biogenic,in-vitro HKEBRN CN(C)c1ccc(/C=N/c2ccc3c(c2)C2c4ccccc4C3c3ccccc32)cc1 ZINC000005319347 560625882 /nfs/dbraw/zinc/62/58/82/560625882.db2.gz LWZIHSFJDJCOMQ-UXHLAJHPSA-N 0 0 400.525 6.490 40 30 HKEBRN COc1ccc(CN=Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)c(OC)c1 ZINC000005320603 560737319 /nfs/dbraw/zinc/73/73/19/560737319.db2.gz KUPLZISPNJRMJE-PCLIKHOPSA-N 0 0 415.518 5.940 40 30 HKEBRN O=C(/C=C/c1ccccc1)c1ccc2c(=O)n3c4ccccc4nc3c3cccc1c32 ZINC000005323430 557644869 /nfs/dbraw/zinc/64/48/69/557644869.db2.gz FGZYZQQJESODNA-DTQAZKPQSA-N 0 0 400.437 5.488 40 30 HKEBRN O=C(/C=C/c1cccc(O)c1)c1c(=O)[nH]c2ccc(Cl)cc2c1-c1ccccc1 ZINC000005323903 557644880 /nfs/dbraw/zinc/64/48/80/557644880.db2.gz ZJJFHHVSGGRMDH-FMIVXFBMSA-N 0 0 401.849 5.450 40 30 HKEBRN COc1ccc(/C=C/C(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc1OC ZINC000005327968 557645113 /nfs/dbraw/zinc/64/51/13/557645113.db2.gz RYXYAGMILXIYPX-FMIVXFBMSA-N 0 0 404.462 5.188 40 30 HKEBRN COc1ccc(/C=C\C(=O)c2ccc(OC)c(OCc3ccccc3)c2)cc1OC ZINC000005329722 557645075 /nfs/dbraw/zinc/64/50/75/557645075.db2.gz BPZHVAGUXRPNKX-XFXZXTDPSA-N 0 0 404.462 5.188 40 30 HKEBRN Cc1cc(/C=N/c2ccccc2)c(C)n1-c1ccc(I)cc1 ZINC000005330554 560737333 /nfs/dbraw/zinc/73/73/33/560737333.db2.gz JFEGFCGJQDWDQD-FYJGNVAPSA-N 0 0 400.263 5.449 40 30 HKEBRN Cc1cc(/C=N/c2ccccc2)c(C)n1-c1ccc(I)c(C)c1 ZINC000005330595 557645072 /nfs/dbraw/zinc/64/50/72/557645072.db2.gz GQKKBABLXIVMMF-LPYMAVHISA-N 0 0 414.290 5.758 40 30 HKEBRN CCOc1c(Br)cc(Br)cc1/C=N/c1ccc(O)cc1C ZINC000005335966 557645443 /nfs/dbraw/zinc/64/54/43/557645443.db2.gz DXPCKEBUYVVIJV-DJKKODMXSA-N 0 0 413.109 5.375 40 30 HKEBRN CCOc1c(Br)cc(Br)cc1/C=N/c1ccccc1OC ZINC000005335976 557645347 /nfs/dbraw/zinc/64/53/47/557645347.db2.gz CTAKFBQHIPNSCR-VXLYETTFSA-N 0 0 413.109 5.370 40 30 HKEBRN Cc1c(C#N)c2nc3ccccc3n2c(=O)c1=CNc1cccc(Nc2ccccc2)c1 ZINC000005336438 560625975 /nfs/dbraw/zinc/62/59/75/560625975.db2.gz NULFPLWZWCMNEI-LQKURTRISA-N 0 0 417.472 5.867 40 30 HKEBRN CSc1nc(C)c2c(c1C#N)C[C@H]1[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000005336621 560566313 /nfs/dbraw/zinc/56/63/13/560566313.db2.gz AHSAQRLLZMVWMN-APTTYYGTSA-N 0 0 408.611 5.321 40 30 HKEBRN CSc1nc(C)c2c(c1C#N)C[C@H]1[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000005336624 560566315 /nfs/dbraw/zinc/56/63/15/560566315.db2.gz AHSAQRLLZMVWMN-OTMBTISUSA-N 0 0 408.611 5.321 40 30 HKEBRN CSc1nc(C)c2c(c1C#N)C[C@@H]1[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000005336626 560737370 /nfs/dbraw/zinc/73/73/70/560737370.db2.gz AHSAQRLLZMVWMN-BMVPKNTRSA-N 0 0 408.611 5.321 40 30 HKEBRN CSc1nc(C)c2c(c1C#N)C[C@@H]1[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000005336630 560566339 /nfs/dbraw/zinc/56/63/39/560566339.db2.gz AHSAQRLLZMVWMN-HEJICQEHSA-N 0 0 408.611 5.321 40 30 HKEBRN Cc1cc(Br)cc(/C=N\c2cccc(-c3nc4ncccc4o3)c2)c1O ZINC000005336851 557645563 /nfs/dbraw/zinc/64/55/63/557645563.db2.gz ZWUMJTYXLXOODA-KSEXSDGBSA-N 0 0 408.255 5.417 40 30 HKEBRN Cc1cc(Nc2ccc(/N=N/c3ccccc3)cc2)n2c3ccccc3nc2c1C#N ZINC000005336967 560566350 /nfs/dbraw/zinc/56/63/50/560566350.db2.gz AIZJZLRIGSEIMD-QVIHXGFCSA-N 0 0 402.461 6.827 40 30 HKEBRN CC1=NN(c2ccc(C)cc2)C(=O)/C1=C\c1c(C)c(C#N)c2nc3ccccc3n2c1C ZINC000005337401 560566371 /nfs/dbraw/zinc/56/63/71/560566371.db2.gz SEVQEQLPPMITHB-BKUYFWCQSA-N 0 0 419.488 5.091 40 30 HKEBRN O=[N+]([O-])c1ccc(N=NC2=CC(c3ccccc3)[C@H](c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000005340155 557645592 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Cc1cccc(/C=N/c2ccc(NC(=O)c3ccccc3)c(Br)c2)c1O ZINC000005883924 557678951 /nfs/dbraw/zinc/67/89/51/557678951.db2.gz UPNRCMLXABUPBW-YDZHTSKRSA-N 0 0 409.283 5.466 40 30 HKEBRN N#Cc1cnc2c(/N=N/c3ccc(Cl)cc3)c(N)nn2c1-c1ccc(Cl)cc1 ZINC000005896148 568828459 /nfs/dbraw/zinc/82/84/59/568828459.db2.gz QGRJRYNSTDAYJT-OCEACIFDSA-N 0 0 408.252 5.572 40 30 HKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)COc3ccc(Cl)cc3)sc2C1 ZINC000005901676 568828912 /nfs/dbraw/zinc/82/89/12/568828912.db2.gz HPCHCNRTELNVOO-CYBMUJFWSA-N 0 0 402.947 5.442 40 30 HKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)c3cc(Cl)ccc3Cl)sc2C1 ZINC000005901761 560738979 /nfs/dbraw/zinc/73/89/79/560738979.db2.gz AUHCHMFEQRCVPB-LLVKDONJSA-N 0 0 407.366 6.330 40 30 HKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)c3ccc(Cl)c(Cl)c3)sc2C1 ZINC000005901772 568828879 /nfs/dbraw/zinc/82/88/79/568828879.db2.gz LMFVCQPBELSFEE-GFCCVEGCSA-N 0 0 407.366 6.330 40 30 HKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)c3ccc(Br)cc3)sc2C1 ZINC000005901778 568829003 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CCOc1cc(C#N)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000005953440 568831834 /nfs/dbraw/zinc/83/18/34/568831834.db2.gz NOJPVNZCMHNYGC-UHFFFAOYSA-N 0 0 401.087 5.605 40 30 HKEBRN Cc1cc(Cl)c(O)c(/C=N/c2ccc(NC(=O)c3cc4ccccc4o3)c(C)c2)c1 ZINC000005959479 557682599 /nfs/dbraw/zinc/68/25/99/557682599.db2.gz YLBPLNNWJXQHMB-LGJNPRDNSA-N 0 0 418.880 6.412 40 30 HKEBRN Cc1cc(Cl)cc(/C=N/c2ccc(NC(=O)c3cc4ccccc4o3)c(C)c2)c1O ZINC000005960449 557682803 /nfs/dbraw/zinc/68/28/03/557682803.db2.gz CERVORTUQJOPIR-LGJNPRDNSA-N 0 0 418.880 6.412 40 30 HKEBRN Cc1ccc(O)c(/C=N/c2ccc3oc(-c4cccc5c(Cl)cccc45)nc3c2)c1 ZINC000005961208 557682745 /nfs/dbraw/zinc/68/27/45/557682745.db2.gz KFXJENMTIQQMOK-MZJWZYIUSA-N 0 0 412.876 7.066 40 30 HKEBRN C=CCOc1cc2c(cc1[C@@H](CC)c1ccc(OCc3ccccc3)cc1)OCO2 ZINC000006002101 568966235 /nfs/dbraw/zinc/96/62/35/568966235.db2.gz GRGHSCOABZPCNQ-QFIPXVFZSA-N 0 0 402.490 6.101 40 30 HKEBRN O=C1c2ccccc2-c2ccccc2/C1=C(\Br)I ZINC000006003818 557683921 /nfs/dbraw/zinc/68/39/21/557683921.db2.gz 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C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1C/C(=C\c1ccc([N+](=O)[O-])cc1)C2=O ZINC000006040813 557684952 /nfs/dbraw/zinc/68/49/52/557684952.db2.gz LGWMHNQKTCVZTP-MOLOORIASA-N 0 0 421.537 5.481 40 30 HKEBRN Cc1cc2ccccc2n1CC(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 ZINC000006044202 568884370 /nfs/dbraw/zinc/88/43/70/568884370.db2.gz NSRCRDACHIXIQB-QGZVFWFLSA-N 0 0 405.567 5.673 40 30 HKEBRN Cc1cc2ccccc2n1CC(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 ZINC000006044203 568884392 /nfs/dbraw/zinc/88/43/92/568884392.db2.gz NSRCRDACHIXIQB-KRWDZBQOSA-N 0 0 405.567 5.673 40 30 HKEBRN COC(=O)C(=O)[C@H](SC(=Nc1ccccc1)Nc1ccc(C)cc1)c1ccccc1 ZINC000006044320 557685132 /nfs/dbraw/zinc/68/51/32/557685132.db2.gz VRYKDWMXVNJJMW-JOCHJYFZSA-N 0 0 418.518 5.311 40 30 HKEBRN Cc1ccc(/N=C2\NC(=O)/C(=C/c3ccc(OCc4ccccc4)cc3)S2)cc1 ZINC000006044378 560739391 /nfs/dbraw/zinc/73/93/91/560739391.db2.gz GQZNYDWOEPMYKG-JCMHNJIXSA-N 0 0 400.503 5.466 40 30 HKEBRN C=CCOc1c(CNc2ccc(-c3nc4ccc(C)cc4s3)cc2)cccc1OC 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O=C1C[C@@H](/C=C/c2ccccc2)CC2=Nc3nc4ccccc4n3[C@@H](c3cccnc3)C12 ZINC000007496015 560751046 /nfs/dbraw/zinc/75/10/46/560751046.db2.gz LOFOOMCJWMCJGE-MOJHVBDOSA-N 0 0 418.500 5.393 40 30 HKEBRN O=C1C[C@H](/C=C/c2ccccc2)CC2=Nc3nc4ccccc4n3[C@H](c3cccnc3)C12 ZINC000007496022 560751177 /nfs/dbraw/zinc/75/11/77/560751177.db2.gz LOFOOMCJWMCJGE-ZPVHIYBVSA-N 0 0 418.500 5.393 40 30 HKEBRN O=C1C[C@@H](/C=C/c2ccccc2)CC2=Nc3nc4ccccc4n3[C@H](c3cccnc3)C12 ZINC000007496030 560751136 /nfs/dbraw/zinc/75/11/36/560751136.db2.gz LOFOOMCJWMCJGE-LVPIHVPBSA-N 0 0 418.500 5.393 40 30 HKEBRN O=C1C[C@H](/C=C/c2ccccc2)CC2=Nc3nc4ccccc4n3[C@@H](c3ccccc3)C12 ZINC000007496057 560751173 /nfs/dbraw/zinc/75/11/73/560751173.db2.gz YJXKXDKFSJBKOM-MQCHIFCYSA-N 0 0 417.512 5.998 40 30 HKEBRN O=C1C[C@@H](/C=C/c2ccccc2)CC2=Nc3nc4ccccc4n3[C@@H](c3ccccc3)C12 ZINC000007496060 560751128 /nfs/dbraw/zinc/75/11/28/560751128.db2.gz YJXKXDKFSJBKOM-IQAHQBQRSA-N 0 0 417.512 5.998 40 30 HKEBRN O=C1C[C@H](/C=C/c2ccccc2)CC2=Nc3nc4ccccc4n3[C@H](c3ccccc3)C12 ZINC000007496063 560751155 /nfs/dbraw/zinc/75/11/55/560751155.db2.gz YJXKXDKFSJBKOM-HEHUBFEKSA-N 0 0 417.512 5.998 40 30 HKEBRN O=C1C[C@@H](/C=C/c2ccccc2)CC2=Nc3nc4ccccc4n3[C@H](c3ccccc3)C12 ZINC000007496067 560751122 /nfs/dbraw/zinc/75/11/22/560751122.db2.gz YJXKXDKFSJBKOM-KXPGVVDISA-N 0 0 417.512 5.998 40 30 HKEBRN Cc1ccc([C@@H]2C3C(=O)C[C@@H](c4ccccc4)CC3=Nc3nc4ccccc4n32)cc1 ZINC000007496071 560751131 /nfs/dbraw/zinc/75/11/31/560751131.db2.gz UVYOTSOGBBXOMJ-RXFWQSSRSA-N 0 0 405.501 5.760 40 30 HKEBRN Cc1ccc([C@H]2C3C(=O)C[C@@H](c4ccccc4)CC3=Nc3nc4ccccc4n32)cc1 ZINC000007496075 560751188 /nfs/dbraw/zinc/75/11/88/560751188.db2.gz UVYOTSOGBBXOMJ-FNZWTVRRSA-N 0 0 405.501 5.760 40 30 HKEBRN Cc1ccc([C@@H]2C3C(=O)C[C@H](c4ccccc4)CC3=Nc3nc4ccccc4n32)cc1 ZINC000007496079 560751163 /nfs/dbraw/zinc/75/11/63/560751163.db2.gz UVYOTSOGBBXOMJ-FQRUVTKNSA-N 0 0 405.501 5.760 40 30 HKEBRN Cc1ccc([C@H]2C3C(=O)C[C@H](c4ccccc4)CC3=Nc3nc4ccccc4n32)cc1 ZINC000007496084 560751172 /nfs/dbraw/zinc/75/11/72/560751172.db2.gz UVYOTSOGBBXOMJ-IBVKSMDESA-N 0 0 405.501 5.760 40 30 HKEBRN Cc1cccc([C@@H]2C3C(=O)C[C@@H](c4ccccc4)CC3=Nc3nc4ccccc4n32)c1 ZINC000007496088 560751179 /nfs/dbraw/zinc/75/11/79/560751179.db2.gz PERMNJFEANQOML-RXFWQSSRSA-N 0 0 405.501 5.760 40 30 HKEBRN Cc1cccc([C@H]2C3C(=O)C[C@@H](c4ccccc4)CC3=Nc3nc4ccccc4n32)c1 ZINC000007496091 560751125 /nfs/dbraw/zinc/75/11/25/560751125.db2.gz PERMNJFEANQOML-FNZWTVRRSA-N 0 0 405.501 5.760 40 30 HKEBRN Cc1cccc([C@@H]2C3C(=O)C[C@H](c4ccccc4)CC3=Nc3nc4ccccc4n32)c1 ZINC000007496094 560751143 /nfs/dbraw/zinc/75/11/43/560751143.db2.gz PERMNJFEANQOML-FQRUVTKNSA-N 0 0 405.501 5.760 40 30 HKEBRN Cc1cccc([C@H]2C3C(=O)C[C@H](c4ccccc4)CC3=Nc3nc4ccccc4n32)c1 ZINC000007496097 560751169 /nfs/dbraw/zinc/75/11/69/560751169.db2.gz PERMNJFEANQOML-IBVKSMDESA-N 0 0 405.501 5.760 40 30 HKEBRN Cc1ccc([C@H]2CC(=O)C3C(=Nc4nc5ccccc5n4[C@H]3c3ccccc3)C2)cc1 ZINC000007496177 560751175 /nfs/dbraw/zinc/75/11/75/560751175.db2.gz AMQNIPXNHBQKFB-IBVKSMDESA-N 0 0 405.501 5.760 40 30 HKEBRN Cc1ccc([C@@H]2CC(=O)C3C(=Nc4nc5ccccc5n4[C@H]3c3ccccc3)C2)cc1 ZINC000007496181 560751184 /nfs/dbraw/zinc/75/11/84/560751184.db2.gz AMQNIPXNHBQKFB-FNZWTVRRSA-N 0 0 405.501 5.760 40 30 HKEBRN Cc1ccc([C@H]2CC(=O)C3C(=Nc4nc5ccccc5n4[C@@H]3c3ccccc3)C2)cc1 ZINC000007496185 560751182 /nfs/dbraw/zinc/75/11/82/560751182.db2.gz AMQNIPXNHBQKFB-FQRUVTKNSA-N 0 0 405.501 5.760 40 30 HKEBRN Cc1ccc([C@@H]2CC(=O)C3C(=Nc4nc5ccccc5n4[C@@H]3c3ccccc3)C2)cc1 ZINC000007496189 560751186 /nfs/dbraw/zinc/75/11/86/560751186.db2.gz AMQNIPXNHBQKFB-RXFWQSSRSA-N 0 0 405.501 5.760 40 30 HKEBRN Cc1ccc(NCc2nnc(SCc3ccccc3)n2/N=C/c2ccccc2)cc1 ZINC000007504217 557744325 /nfs/dbraw/zinc/74/43/25/557744325.db2.gz MGQHDDRRKFKCKR-WGOQTCKBSA-N 0 0 413.550 5.373 40 30 HKEBRN CC(=O)c1ccc(N=C2SCCCN2C(=O)COc2cccc3ccccc32)cc1 ZINC000007781663 557761114 /nfs/dbraw/zinc/76/11/14/557761114.db2.gz NZTDTCJGEYJBPU-IZHYLOQSSA-N 0 0 418.518 5.074 40 30 HKEBRN CN1c2ccccc2C(C)(C)/C1=C/C=N/NC(=S)Nc1ccccc1C(F)(F)F ZINC000007783782 557761258 /nfs/dbraw/zinc/76/12/58/557761258.db2.gz CJIRUSRKYQWILH-FECRQVCQSA-N 0 0 418.488 5.289 40 30 HKEBRN Cc1cccc(/N=C2\S[C@@H](C)CN2C(=O)c2ccc(-c3ccc(Cl)cc3)o2)c1 ZINC000007786043 568484917 /nfs/dbraw/zinc/48/49/17/568484917.db2.gz GNUJPQPBBMRVLR-QEMJGJMLSA-N 0 0 410.926 6.174 40 30 HKEBRN Cc1cccc(/N=C2\S[C@H](C)CN2C(=O)c2ccc(-c3ccc(Cl)cc3)o2)c1 ZINC000007786045 524154618 /nfs/dbraw/zinc/15/46/18/524154618.db2.gz GNUJPQPBBMRVLR-WPCLWYOGSA-N 0 0 410.926 6.174 40 30 HKEBRN COc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OCc2cccc(Cl)c2)cc1 ZINC000007939530 569362071 /nfs/dbraw/zinc/36/20/71/569362071.db2.gz QNMHVHXCZPLATP-YRNVUSSQSA-N 0 0 413.300 6.477 40 30 HKEBRN COc1ccc(C(=O)/C=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 ZINC000007939538 569362065 /nfs/dbraw/zinc/36/20/65/569362065.db2.gz OOSFNJTXUMAKKZ-YIXHJXPBSA-N 0 0 413.300 6.477 40 30 HKEBRN CCOc1cc(/C=C/C(=O)c2ccc(OC)cc2)ccc1OCc1ccccc1Cl ZINC000007939545 560752411 /nfs/dbraw/zinc/75/24/11/560752411.db2.gz VHKPHPJVNVYRKE-RIYZIHGNSA-N 0 0 422.908 6.222 40 30 HKEBRN CCOC(=O)c1cc(-c2ccc(/C=C/C(=O)c3ccc(OC)cc3)o2)ccc1Cl ZINC000007939553 569362111 /nfs/dbraw/zinc/36/21/11/569362111.db2.gz PYGPDPYOSNALJF-FMIVXFBMSA-N 0 0 410.853 5.681 40 30 HKEBRN COc1ccc(C(=O)/C=C/c2cc(Br)c(C)c(Br)c2)cc1 ZINC000007939566 569362087 /nfs/dbraw/zinc/36/20/87/569362087.db2.gz KXJXYDBEVFNGMR-FPYGCLRLSA-N 0 0 410.105 5.425 40 30 HKEBRN COc1ccc(C(=O)/C=C/c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1 ZINC000007939572 569362119 /nfs/dbraw/zinc/36/21/19/569362119.db2.gz QMQYGDGFAZERIA-LFYBBSHMSA-N 0 0 413.300 6.477 40 30 HKEBRN C/C(=N\NC(=S)Nc1ccccc1C(F)(F)F)c1cccc(C(F)(F)F)c1 ZINC000007989541 568487436 /nfs/dbraw/zinc/48/74/36/568487436.db2.gz JWVWVAOKXQCTHD-KIBLKLHPSA-N 0 0 405.367 5.435 40 30 HKEBRN C=CCc1cc([C@H](Nc2ccccn2)c2ccc(Cl)cc2)c2ccc(C)nc2c1O ZINC000008036187 568976183 /nfs/dbraw/zinc/97/61/83/568976183.db2.gz QICPNRBBAUUSCA-HSZRJFAPSA-N 0 0 415.924 6.227 40 30 HKEBRN C=CCc1cc([C@@H](Nc2ccccn2)c2ccc(Cl)cc2)c2ccc(C)nc2c1O ZINC000008036188 568976294 /nfs/dbraw/zinc/97/62/94/568976294.db2.gz QICPNRBBAUUSCA-QHCPKHFHSA-N 0 0 415.924 6.227 40 30 HKEBRN C=CCn1c(SCC(=O)Nc2ccc(CC)cc2)nnc1-c1cc2ccccc2o1 ZINC000008086187 569339378 /nfs/dbraw/zinc/33/93/78/569339378.db2.gz YCRGGYFXXFSIDJ-UHFFFAOYSA-N 0 0 418.522 5.171 40 30 HKEBRN C=CCOc1ccc(NC(=O)COc2ccc3ccccc3c2Br)cc1 ZINC000008104293 568976199 /nfs/dbraw/zinc/97/61/99/568976199.db2.gz TXSAWLWCWDBADF-UHFFFAOYSA-N 0 0 412.283 5.185 40 30 HKEBRN CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](O)CO ZINC000008214394 557775987 /nfs/dbraw/zinc/77/59/87/557775987.db2.gz OKMWKBLSFKFYGZ-XMMPIXPASA-N 0 0 414.671 6.705 40 30 endogenous,in-man HKEBRN CCCCCCCC(=O)CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C/CCCC(=O)OC(C)C ZINC000008214704 557776117 /nfs/dbraw/zinc/77/61/17/557776117.db2.gz XXUPXHKCPIKWLR-IZYGNDRDSA-N 0 0 424.622 5.122 40 30 HKEBRN CCCCCCCCCC(=O)OC[C@@H](CO)OC(=O)CCCCCCCCC ZINC000008218291 557776464 /nfs/dbraw/zinc/77/64/64/557776464.db2.gz GNSDEDOVXZDMKM-OAQYLSRUSA-N 0 0 400.600 5.715 40 30 in-vitro HKEBRN CCCCCCCCCCCCCCCCCCC[C@@H](O)CCCCCCCCC ZINC000008221071 568983173 /nfs/dbraw/zinc/98/31/73/568983173.db2.gz CPGCVOVWHCWVTP-LJAQVGFWSA-N 0 0 424.798 10.530 40 30 endogenous,in-man HKEBRN COc1cc(/C=N/c2cccc(Cl)c2C)cc(Cl)c1OCc1ccccc1 ZINC000008277779 569339991 /nfs/dbraw/zinc/33/99/91/569339991.db2.gz RZOQFGPUJNPXKI-DHRITJCHSA-N 0 0 400.305 6.640 40 30 HKEBRN COc1cc(/C=N/c2cccc(Cl)c2C)ccc1OCc1ccc(Cl)cc1 ZINC000008277936 569339968 /nfs/dbraw/zinc/33/99/68/569339968.db2.gz AVTWXMWSLVQQKP-DHRITJCHSA-N 0 0 400.305 6.640 40 30 HKEBRN COc1cc(/C=N/c2cccc(Cl)c2C)ccc1OCc1cccc(Cl)c1 ZINC000008277947 569339995 /nfs/dbraw/zinc/33/99/95/569339995.db2.gz HQPYZTOQLRSGOY-DHRITJCHSA-N 0 0 400.305 6.640 40 30 HKEBRN COc1cc(/C=N/c2cccc(Cl)c2C)ccc1OCc1ccccc1Cl ZINC000008277962 569339959 /nfs/dbraw/zinc/33/99/59/569339959.db2.gz YUGIVRFHCMDVQI-DHRITJCHSA-N 0 0 400.305 6.640 40 30 HKEBRN C=CCn1c(COc2cc(C)ccc2C(C)C)nnc1SCc1ccc(C)cc1 ZINC000008317358 569340021 /nfs/dbraw/zinc/34/00/21/569340021.db2.gz GQLCKWJTIADCAT-UHFFFAOYSA-N 0 0 407.583 6.076 40 30 HKEBRN CCOc1ccc(/C=C/c2nc(C#N)c(N3CCC(Cc4ccccc4)CC3)o2)cc1 ZINC000008323863 569389752 /nfs/dbraw/zinc/38/97/52/569389752.db2.gz FARAMGQHRQAXHG-JLHYYAGUSA-N 0 0 413.521 5.574 40 30 HKEBRN Cc1cc([C@@H]2NN=C(c3ccccc3)S2)c(C)n1-c1sc2c(c1C#N)CCCC2 ZINC000008334784 569340106 /nfs/dbraw/zinc/34/01/06/569340106.db2.gz WRBQEGYZQABPBA-JOCHJYFZSA-N 0 0 418.591 5.603 40 30 HKEBRN Cc1cc([C@H]2NN=C(c3ccccc3)S2)c(C)n1-c1sc2c(c1C#N)CCCC2 ZINC000008334786 569340091 /nfs/dbraw/zinc/34/00/91/569340091.db2.gz WRBQEGYZQABPBA-QFIPXVFZSA-N 0 0 418.591 5.603 40 30 HKEBRN Cc1ccc(/N=C2\S/C(=C/c3ccccc3OCc3ccccc3)C(=O)N2C)cc1 ZINC000008362848 569362064 /nfs/dbraw/zinc/36/20/64/569362064.db2.gz UFTJQRJZBWKEIZ-OQNHBUHUSA-N 0 0 414.530 5.808 40 30 HKEBRN Cc1ccc(/N=C2\S/C(=C/c3ccc(OCc4ccccc4)cc3)C(=O)N2C)cc1 ZINC000008362849 569362108 /nfs/dbraw/zinc/36/21/08/569362108.db2.gz DYNDBHRADXNWPJ-OQNHBUHUSA-N 0 0 414.530 5.808 40 30 HKEBRN Cc1ccc(/N=C2\S/C(=C/c3ccc(-c4ccc(Cl)cc4)o3)C(=O)N2C)cc1 ZINC000008362858 569362095 /nfs/dbraw/zinc/36/20/95/569362095.db2.gz WDECJVDXWBXSQP-POHNCSCLSA-N 0 0 408.910 6.142 40 30 HKEBRN CCCOc1c(/C=C2/S/C(=N\c3ccc(C)cc3)N(CC)C2=O)cccc1OC ZINC000008362887 569362084 /nfs/dbraw/zinc/36/20/84/569362084.db2.gz WRLRUJYHRNJFTK-MIIQOVFOSA-N 0 0 410.539 5.416 40 30 HKEBRN CCN1C(=O)/C(=C\c2cccc(Br)c2)S/C1=N\c1ccc(C)cc1 ZINC000008362892 569362060 /nfs/dbraw/zinc/36/20/60/569362060.db2.gz UIOBDYPMMQLZRU-CUNGHOPLSA-N 0 0 401.329 5.381 40 30 HKEBRN CCOc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(CC)C2=O)cc1OCC ZINC000008362915 569362088 /nfs/dbraw/zinc/36/20/88/569362088.db2.gz RWHYSVVKJZHNDD-NVZLDUMVSA-N 0 0 410.539 5.416 40 30 HKEBRN CCOc1ccc(Cl)cc1/C=C1/S/C(=N\c2ccc(C)cc2)N(CC)C1=O ZINC000008362916 569362069 /nfs/dbraw/zinc/36/20/69/569362069.db2.gz JPAZRIIEMVSMPW-DNLCFCFBSA-N 0 0 400.931 5.671 40 30 HKEBRN CCCOc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(CC)C2=O)cc1OC ZINC000008362920 569362083 /nfs/dbraw/zinc/36/20/83/569362083.db2.gz WVVIBHJHPGZOAS-NVZLDUMVSA-N 0 0 410.539 5.416 40 30 HKEBRN CCCOc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(CC)C2=O)cc1OCC ZINC000008362922 569362082 /nfs/dbraw/zinc/36/20/82/569362082.db2.gz GURJTVCYMWFMAX-FTJNEJEMSA-N 0 0 424.566 5.806 40 30 HKEBRN CCN1C(=O)/C(=C\c2ccc(OC(C)C)c(OC)c2)S/C1=N\c1ccc(C)cc1 ZINC000008362928 569362067 /nfs/dbraw/zinc/36/20/67/569362067.db2.gz RRUCQIHGPHOAHA-NFEGURHZSA-N 0 0 410.539 5.415 40 30 HKEBRN CCCCOc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(CC)C2=O)cc1OC ZINC000008362938 569362106 /nfs/dbraw/zinc/36/21/06/569362106.db2.gz MLWGSQMXZXTEBF-FTJNEJEMSA-N 0 0 424.566 5.806 40 30 HKEBRN CCOc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N(CC)C2=O)cc(Cl)c1O ZINC000008362959 569362116 /nfs/dbraw/zinc/36/21/16/569362116.db2.gz LXXCXFMDABEBHT-HPJGCCTDSA-N 0 0 416.930 5.377 40 30 HKEBRN CCN1C(=O)/C(=C\c2ccc(Br)cc2)S/C1=N\c1ccc(C)cc1 ZINC000008362985 569362076 /nfs/dbraw/zinc/36/20/76/569362076.db2.gz XYFFYYNANJCGFK-CUNGHOPLSA-N 0 0 401.329 5.381 40 30 HKEBRN CCN1C(=O)/C(=C\c2cc(C(C)C)c(OC)cc2C)S/C1=N\c1ccc(C)cc1 ZINC000008362988 569362217 /nfs/dbraw/zinc/36/22/17/569362217.db2.gz KQRPVZNEYPRTSA-QMSJJHEMSA-N 0 0 408.567 6.059 40 30 HKEBRN CCN1C(=O)/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)S/C1=N\c1ccc(C)cc1 ZINC000008362995 569362205 /nfs/dbraw/zinc/36/22/05/569362205.db2.gz LOLRDLCJZWKZQC-SMSCYPBYSA-N 0 0 401.875 5.181 40 30 HKEBRN C=CCc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N(CC)C2=O)cc(OC)c1O ZINC000008363003 569362209 /nfs/dbraw/zinc/36/22/09/569362209.db2.gz VCIRGYZUINSPHO-ZSICUCBDSA-N 0 0 408.523 5.062 40 30 HKEBRN C=CCc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N(CC)C2=O)cc(OCC)c1O ZINC000008363004 569362207 /nfs/dbraw/zinc/36/22/07/569362207.db2.gz KDQDSKSSAGTICC-LPCFMYKTSA-N 0 0 422.550 5.452 40 30 HKEBRN C=CCOc1c(/C=C2/S/C(=N\c3ccc(C)cc3)N(CC)C2=O)cccc1OC ZINC000008363011 569362244 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CCCOc1ccc(/C=C2/S/C(=N\c3ccccc3)N(CCC)C2=O)cc1OCC ZINC000008363373 569362267 /nfs/dbraw/zinc/36/22/67/569362267.db2.gz ZJMBFYHLTBJLNU-AIQBXGKYSA-N 0 0 424.566 5.888 40 30 HKEBRN COc1cc(/C=N/c2ccc(C)cc2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000008371767 569340171 /nfs/dbraw/zinc/34/01/71/569340171.db2.gz MXSJKSFMCCOVQJ-DHRITJCHSA-N 0 0 400.305 6.640 40 30 HKEBRN COc1cc(/C=N/c2ccc(C)cc2)cc(Cl)c1OCc1cccc(Cl)c1 ZINC000008371774 569340181 /nfs/dbraw/zinc/34/01/81/569340181.db2.gz XDSPFRIQHQBZRQ-DHRITJCHSA-N 0 0 400.305 6.640 40 30 HKEBRN COc1cc(/C=N/c2ccc(C)cc2)cc(Cl)c1OCc1ccccc1Cl ZINC000008371791 569340194 /nfs/dbraw/zinc/34/01/94/569340194.db2.gz QCDUIHJBNNUURP-DHRITJCHSA-N 0 0 400.305 6.640 40 30 HKEBRN COc1cc(/C=N/c2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1Cl ZINC000008371904 569340250 /nfs/dbraw/zinc/34/02/50/569340250.db2.gz WCGQYOCVYSJDPQ-DHRITJCHSA-N 0 0 400.305 6.640 40 30 HKEBRN Cc1ccc(/N=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)cc1 ZINC000008371958 569340262 /nfs/dbraw/zinc/34/02/62/569340262.db2.gz QTKFSGZYBDLHRX-DHRITJCHSA-N 0 0 400.356 6.465 40 30 HKEBRN Cc1ccc(/N=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000008372000 569340257 /nfs/dbraw/zinc/34/02/57/569340257.db2.gz MZLNDWCWHRGDSL-DHRITJCHSA-N 0 0 400.356 6.465 40 30 HKEBRN COc1ccc(/N=C/c2cc(Cl)c(OCc3ccc(C)cc3)c(Cl)c2)cc1 ZINC000008372966 569340247 /nfs/dbraw/zinc/34/02/47/569340247.db2.gz GYBBRZJMAGJRFY-DHRITJCHSA-N 0 0 400.305 6.640 40 30 HKEBRN N#C[C@H](c1ccccc1)c1ccc(NC(=O)Nc2cccc3ccccc32)cc1Cl ZINC000008381484 526511134 /nfs/dbraw/zinc/51/11/34/526511134.db2.gz WZHODFZFDOHUGF-JOCHJYFZSA-N 0 0 411.892 6.793 40 30 HKEBRN N#C[C@@H](c1ccccc1)c1ccc(NC(=O)Nc2cccc3ccccc32)cc1Cl ZINC000008381550 557784744 /nfs/dbraw/zinc/78/47/44/557784744.db2.gz WZHODFZFDOHUGF-QFIPXVFZSA-N 0 0 411.892 6.793 40 30 HKEBRN Cc1ccccc1/N=C1/NC(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)S1 ZINC000008416114 560755127 /nfs/dbraw/zinc/75/51/27/560755127.db2.gz UMPZFEPZKWPFNG-UNOMPAQXSA-N 0 0 405.435 5.055 40 30 HKEBRN Cc1ccccc1/N=C1/NC(=O)/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)S1 ZINC000008416121 560755144 /nfs/dbraw/zinc/75/51/44/560755144.db2.gz DSPSZPOLJMIHNO-UNOMPAQXSA-N 0 0 405.435 5.055 40 30 HKEBRN Cc1ccccc1/N=C1/NC(=O)/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)S1 ZINC000008416130 560755134 /nfs/dbraw/zinc/75/51/34/560755134.db2.gz LFYYGLASDVTNSP-UNOMPAQXSA-N 0 0 405.435 5.055 40 30 HKEBRN Cn1cc(/C=C2/S/C(=N\c3ccc(Cl)c(Cl)c3)NC2=O)c2ccccc21 ZINC000008417798 557787516 /nfs/dbraw/zinc/78/75/16/557787516.db2.gz RENZIANDFQRTCV-CAOOACKPSA-N 0 0 402.306 5.377 40 30 HKEBRN O=C1N/C(=N/c2ccc(Br)cc2)S/C1=C/c1cccc2ccccc12 ZINC000008436606 557789197 /nfs/dbraw/zinc/78/91/97/557789197.db2.gz KLFSTGHWAKOGJS-LDADJPATSA-N 0 0 409.308 5.494 40 30 HKEBRN O=C1N/C(=N/c2ccccc2Br)S/C1=C/c1cccc2ccccc12 ZINC000008436610 557789139 /nfs/dbraw/zinc/78/91/39/557789139.db2.gz BMBVWIHYGFQCCV-LDADJPATSA-N 0 0 409.308 5.494 40 30 HKEBRN Cc1s/c(=N\N=C\c2ccc(O)cc2)n(CCc2ccccc2)c1-c1ccccc1 ZINC000008490694 557793170 /nfs/dbraw/zinc/79/31/70/557793170.db2.gz QDSLQLMCODBQST-MHHNFKNZSA-N 0 0 413.546 5.408 40 30 HKEBRN Cc1ccc(COc2ccc(/C=C3/S/C(=N\c4ccc(F)cc4)NC3=O)cc2)cc1 ZINC000008550110 560755195 /nfs/dbraw/zinc/75/51/95/560755195.db2.gz XIMPMDJFZVGPJT-HYARGMPZSA-N 0 0 418.493 5.605 40 30 HKEBRN O=C1CCCC2=C1[C@@H](c1c[nH]nc1-c1ccc(F)cc1)Nc1ccc3ccccc3c12 ZINC000008553921 568501555 /nfs/dbraw/zinc/50/15/55/568501555.db2.gz HAPQAWBIISNXAD-AREMUKBSSA-N 0 0 409.464 6.042 40 30 HKEBRN C=CCNC(=O)c1ccccc1NC(=O)N1c2ccccc2Sc2ccccc21 ZINC000008554500 568979863 /nfs/dbraw/zinc/97/98/63/568979863.db2.gz SMIWYMKUEMOZRM-UHFFFAOYSA-N 0 0 401.491 5.437 40 30 HKEBRN Cc1nn2c(c1-c1ccc(Cl)cc1)N=C1CCCC(=O)C1[C@H]2c1ccccc1C ZINC000008559385 560755489 /nfs/dbraw/zinc/75/54/89/560755489.db2.gz UMXFQRMMULMRDY-HSZRJFAPSA-N 0 0 403.913 5.842 40 30 HKEBRN Cc1nn2c(c1-c1ccc(Cl)cc1)N=C1CCCC(=O)C1[C@@H]2c1ccccc1C ZINC000008559386 560755515 /nfs/dbraw/zinc/75/55/15/560755515.db2.gz UMXFQRMMULMRDY-QHCPKHFHSA-N 0 0 403.913 5.842 40 30 HKEBRN Cc1nn2c(c1-c1ccccc1)N=C1CC(C)(C)CC(=O)C1[C@H]2c1cccc(Cl)c1 ZINC000008559389 560755528 /nfs/dbraw/zinc/75/55/28/560755528.db2.gz RPLJWWQFUYLEOH-HSZRJFAPSA-N 0 0 417.940 6.170 40 30 HKEBRN Cc1nn2c(c1-c1ccccc1)N=C1CC(C)(C)CC(=O)C1[C@@H]2c1cccc(Cl)c1 ZINC000008559391 560755497 /nfs/dbraw/zinc/75/54/97/560755497.db2.gz RPLJWWQFUYLEOH-QHCPKHFHSA-N 0 0 417.940 6.170 40 30 HKEBRN Cc1nn2c(c1-c1ccccc1)N=C1C[C@H](C)CC(=O)C1[C@H]2c1ccc(C(C)C)cc1 ZINC000008559398 560755533 /nfs/dbraw/zinc/75/55/33/560755533.db2.gz CWCWYRXYFJQARK-MRDQGFSESA-N 0 0 411.549 6.250 40 30 HKEBRN Cc1nn2c(c1-c1ccccc1)N=C1C[C@H](C)CC(=O)C1[C@@H]2c1ccc(C(C)C)cc1 ZINC000008559400 560755521 /nfs/dbraw/zinc/75/55/21/560755521.db2.gz CWCWYRXYFJQARK-QLXKLKPCSA-N 0 0 411.549 6.250 40 30 HKEBRN Cc1nn2c(c1-c1ccccc1)N=C1C[C@@H](C)CC(=O)C1[C@H]2c1ccc(C(C)C)cc1 ZINC000008559402 560755485 /nfs/dbraw/zinc/75/54/85/560755485.db2.gz CWCWYRXYFJQARK-WGDIFIGCSA-N 0 0 411.549 6.250 40 30 HKEBRN Cc1nn2c(c1-c1ccccc1)N=C1C[C@@H](C)CC(=O)C1[C@@H]2c1ccc(C(C)C)cc1 ZINC000008559404 560755501 /nfs/dbraw/zinc/75/55/01/560755501.db2.gz CWCWYRXYFJQARK-QUGAMOGWSA-N 0 0 411.549 6.250 40 30 HKEBRN Cc1nn2c(c1-c1ccccc1)N=C1C[C@H](C)CC(=O)C1[C@H]2c1ccccc1[N+](=O)[O-] ZINC000008559406 560755542 /nfs/dbraw/zinc/75/55/42/560755542.db2.gz MIZQTMHBGVLQGW-LFVRLGFBSA-N 0 0 414.465 5.035 40 30 HKEBRN Cc1nn2c(c1-c1ccccc1)N=C1C[C@H](C)CC(=O)C1[C@@H]2c1ccccc1[N+](=O)[O-] ZINC000008559409 560755535 /nfs/dbraw/zinc/75/55/35/560755535.db2.gz MIZQTMHBGVLQGW-PSLXWICFSA-N 0 0 414.465 5.035 40 30 HKEBRN Cc1nn2c(c1-c1ccccc1)N=C1C[C@@H](C)CC(=O)C1[C@H]2c1ccccc1[N+](=O)[O-] ZINC000008559410 560755510 /nfs/dbraw/zinc/75/55/10/560755510.db2.gz MIZQTMHBGVLQGW-QKFKETGDSA-N 0 0 414.465 5.035 40 30 HKEBRN Cc1nn2c(c1-c1ccccc1)N=C1C[C@@H](C)CC(=O)C1[C@@H]2c1ccccc1[N+](=O)[O-] ZINC000008559413 560755491 /nfs/dbraw/zinc/75/54/91/560755491.db2.gz MIZQTMHBGVLQGW-FATZIPQQSA-N 0 0 414.465 5.035 40 30 HKEBRN COc1cc(/C=N/c2ccccc2C)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000008570823 569341752 /nfs/dbraw/zinc/34/17/52/569341752.db2.gz FOXNYOSSEMITBO-DHRITJCHSA-N 0 0 400.305 6.640 40 30 HKEBRN COc1cc(/C=N/c2ccccc2C)cc(Cl)c1OCc1cccc(Cl)c1 ZINC000008570826 569341796 /nfs/dbraw/zinc/34/17/96/569341796.db2.gz NHLFZLNZZUIRTG-DHRITJCHSA-N 0 0 400.305 6.640 40 30 HKEBRN COc1cc(/C=N/c2ccccc2C)cc(Cl)c1OCc1ccccc1Cl ZINC000008570831 569341785 /nfs/dbraw/zinc/34/17/85/569341785.db2.gz WBMREFZOJIZNQO-DHRITJCHSA-N 0 0 400.305 6.640 40 30 HKEBRN COc1cc(/C=N/c2ccccc2C)ccc1OCc1ccc(Cl)cc1Cl ZINC000008570891 569341772 /nfs/dbraw/zinc/34/17/72/569341772.db2.gz BVUFMIZVVBDVPS-DHRITJCHSA-N 0 0 400.305 6.640 40 30 HKEBRN Cc1ccccc1/N=C/c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000008570916 569341749 /nfs/dbraw/zinc/34/17/49/569341749.db2.gz BYVKFINHTPBAMD-DHRITJCHSA-N 0 0 400.356 6.465 40 30 HKEBRN Cc1ccccc1/N=C/c1ccccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000008570938 569341757 /nfs/dbraw/zinc/34/17/57/569341757.db2.gz VZVWVZNPPHVZPV-DHRITJCHSA-N 0 0 400.356 6.465 40 30 HKEBRN CC/C(=N\N=C(/CC)c1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000008614503 557796844 /nfs/dbraw/zinc/79/68/44/557796844.db2.gz HESJEUSORFTBEI-KSTNYAOJSA-N 0 0 422.164 6.225 40 30 HKEBRN CC/C(=N/N=C(/CC)c1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000008614504 520177455 /nfs/dbraw/zinc/17/74/55/520177455.db2.gz HESJEUSORFTBEI-SVJWQLCWSA-N 0 0 422.164 6.225 40 30 HKEBRN COc1ccc2c(ccc3c2CC[C@]2(C)C(=O)/C(=C(\OC(C)=O)C(F)(F)F)C[C@H]32)c1 ZINC000008615163 557796922 /nfs/dbraw/zinc/79/69/22/557796922.db2.gz YIODTVGTQJKFMM-DSUXPKEZSA-N 0 0 418.411 5.237 40 30 HKEBRN COc1ccc2c(ccc3c2CC[C@]2(C)C(=O)/C(=C(/OC(C)=O)C(F)(F)F)C[C@H]32)c1 ZINC000008615164 557796930 /nfs/dbraw/zinc/79/69/30/557796930.db2.gz YIODTVGTQJKFMM-IYCQIBHJSA-N 0 0 418.411 5.237 40 30 HKEBRN COc1ccc2c(ccc3c2CC[C@]2(C)C(=O)/C(=C(\OC(C)=O)C(F)(F)F)C[C@@H]32)c1 ZINC000008615165 557796907 /nfs/dbraw/zinc/79/69/07/557796907.db2.gz YIODTVGTQJKFMM-QGPSGZEKSA-N 0 0 418.411 5.237 40 30 HKEBRN 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ZINC000008642405 526479688 /nfs/dbraw/zinc/47/96/88/526479688.db2.gz WAOIKDOFYYWWJO-WWQQVGJXSA-N 0 0 418.544 6.799 40 30 HKEBRN CN1C(=O)/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)S/C1=N\c1ccc(Cl)cc1 ZINC000008642744 557798184 /nfs/dbraw/zinc/79/81/84/557798184.db2.gz IVFAMNFVFDXGAV-JIQLHFTESA-N 0 0 408.266 5.135 40 30 HKEBRN Clc1ccccc1-n1cccc1/C=N/N=C\c1cccn1-c1ccccc1Cl ZINC000008652608 557798677 /nfs/dbraw/zinc/79/86/77/557798677.db2.gz ATRABQWKGJGCSE-WFOJNGAISA-N 0 0 407.304 6.028 40 30 HKEBRN CC1C(=O)C(=O)C=C2C1=CC=C1[C@]3(C)CC[C@@]4(C)CC(=O)[C@@H](C)C[C@H]4[C@@]3(C)CC[C@@]21C ZINC000008652686 557798587 /nfs/dbraw/zinc/79/85/87/557798587.db2.gz WSTYNZDAOAEEKG-CGCOVUCDSA-N 0 0 420.593 6.422 40 30 HKEBRN CC1C(=O)C(=O)C=C2C1=CC=C1[C@]3(C)CC[C@@]4(C)CC(=O)[C@H](C)C[C@@H]4[C@@]3(C)CC[C@@]21C ZINC000008652687 569052011 /nfs/dbraw/zinc/05/20/11/569052011.db2.gz WSTYNZDAOAEEKG-HDRQAOSTSA-N 0 0 420.593 6.422 40 30 HKEBRN 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Cc1cc(/C=N/NCc2ccccc2Cl)c(C)n1-c1cccc(Br)c1 ZINC000008811681 560752262 /nfs/dbraw/zinc/75/22/62/560752262.db2.gz VERVTBUHPWCLFT-ZMOGYAJESA-N 0 0 416.750 5.634 40 30 HKEBRN Cc1cc(/C=N/NCc2ccccc2Cl)c(C)n1-c1ccc(Br)cc1 ZINC000008811683 560753038 /nfs/dbraw/zinc/75/30/38/560753038.db2.gz NTOCPVGKEJLHGL-ZMOGYAJESA-N 0 0 416.750 5.634 40 30 HKEBRN CCOC(=O)c1ccccc1-n1c(C)cc(/C=N/NCc2ccccc2Cl)c1C ZINC000008811691 569341952 /nfs/dbraw/zinc/34/19/52/569341952.db2.gz SSZAHGRTMWKDSQ-CVKSISIWSA-N 0 0 409.917 5.048 40 30 HKEBRN CCOC(=O)c1cccc(-n2c(C)cc(/C=N/NCc3ccccc3Cl)c2C)c1 ZINC000008811694 569341915 /nfs/dbraw/zinc/34/19/15/569341915.db2.gz LIWCCNQQFDZDEA-CVKSISIWSA-N 0 0 409.917 5.048 40 30 HKEBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=N/NCc3ccccc3Cl)c2C)cc1 ZINC000008811698 569341945 /nfs/dbraw/zinc/34/19/45/569341945.db2.gz ORICYNMNRKZZLV-CVKSISIWSA-N 0 0 409.917 5.048 40 30 HKEBRN COc1ccc(Cl)cc1-n1c(C)cc(/C=N/NCc2ccccc2Cl)c1C ZINC000008811705 569341953 /nfs/dbraw/zinc/34/19/53/569341953.db2.gz 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Clc1ccc(COc2ccccc2/C=N/NCc2ccccc2Cl)cc1Cl ZINC000008811749 569341940 /nfs/dbraw/zinc/34/19/40/569341940.db2.gz VLKNXYNDIUUCNK-LGJNPRDNSA-N 0 0 419.739 6.350 40 30 HKEBRN Clc1ccc(OCc2ccccc2Cl)c(/C=N/NCc2ccccc2Cl)c1 ZINC000008811770 569341962 /nfs/dbraw/zinc/34/19/62/569341962.db2.gz NLMUDQVKCHQNFU-LGJNPRDNSA-N 0 0 419.739 6.350 40 30 HKEBRN Clc1ccc(COc2ccc(Cl)cc2/C=N/NCc2ccccc2Cl)cc1 ZINC000008811773 569341958 /nfs/dbraw/zinc/34/19/58/569341958.db2.gz LPSARPQQXZUCCK-LGJNPRDNSA-N 0 0 419.739 6.350 40 30 HKEBRN Fc1ccc(COc2ccc(Cl)cc2/C=N/NCc2ccccc2Cl)cc1 ZINC000008811781 569341920 /nfs/dbraw/zinc/34/19/20/569341920.db2.gz RLQABIFDSKNSHF-LGJNPRDNSA-N 0 0 403.284 5.835 40 30 HKEBRN N#Cc1ccccc1COc1ccc(Cl)cc1/C=N/NCc1ccccc1Cl ZINC000008811791 569341928 /nfs/dbraw/zinc/34/19/28/569341928.db2.gz PVSSRTJIAMUKIK-MZJWZYIUSA-N 0 0 410.304 5.568 40 30 HKEBRN N#Cc1cccc(COc2ccc(Cl)cc2/C=N/NCc2ccccc2Cl)c1 ZINC000008811792 569341916 /nfs/dbraw/zinc/34/19/16/569341916.db2.gz XLICDHMAGCSOGG-MZJWZYIUSA-N 0 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OQJRWAXHYLJVFS-SRZZPIQSSA-N 0 0 411.727 5.024 40 30 HKEBRN COc1cc(/C=N/NCc2ccccc2Cl)cc(Br)c1OC(C)C ZINC000008811875 569341913 /nfs/dbraw/zinc/34/19/13/569341913.db2.gz PXPVGNHUTZQKTB-UFFVCSGVSA-N 0 0 411.727 5.022 40 30 HKEBRN CCOc1cc(/C=N/NCc2ccccc2Cl)ccc1OCc1ccc(F)cc1 ZINC000008811907 569341943 /nfs/dbraw/zinc/34/19/43/569341943.db2.gz SYKAVEBYULOGTE-VULFUBBASA-N 0 0 412.892 5.581 40 30 HKEBRN CCOc1cc(/C=N/NCc2ccccc2Cl)ccc1OCc1ccccc1C#N ZINC000008811909 569341954 /nfs/dbraw/zinc/34/19/54/569341954.db2.gz ZPEJQKDJKZSRAA-JFLMPSFJSA-N 0 0 419.912 5.313 40 30 HKEBRN CCOc1cc(/C=N/NCc2ccccc2Cl)ccc1OCc1ccc(C)cc1 ZINC000008811910 569341926 /nfs/dbraw/zinc/34/19/26/569341926.db2.gz ZTMCMWDEWQGDKW-CVKSISIWSA-N 0 0 408.929 5.750 40 30 HKEBRN CCOc1cc(/C=N/NCc2ccccc2Cl)ccc1OCc1ccc(C#N)cc1 ZINC000008811911 569341960 /nfs/dbraw/zinc/34/19/60/569341960.db2.gz XIQMFUXYVJWLNS-JFLMPSFJSA-N 0 0 419.912 5.313 40 30 HKEBRN CCOc1cc(/C=N/NCc2ccccc2Cl)ccc1OCc1cccc(C#N)c1 ZINC000008811912 569341931 /nfs/dbraw/zinc/34/19/31/569341931.db2.gz YHQXCZBWMINBBP-JFLMPSFJSA-N 0 0 419.912 5.313 40 30 HKEBRN C=CCOc1c(Br)cc(/C=N/NCc2ccccc2Cl)cc1OCC ZINC000008811944 560761857 /nfs/dbraw/zinc/76/18/57/560761857.db2.gz OILXTHJENQCKEW-WSDLNYQXSA-N 0 0 423.738 5.190 40 30 HKEBRN Clc1ccccc1CN/N=C/c1c(OCc2ccccc2)ccc2ccccc21 ZINC000008811979 569341959 /nfs/dbraw/zinc/34/19/59/569341959.db2.gz KSPFTEFLVLLJPX-OGLMXYFKSA-N 0 0 400.909 6.196 40 30 HKEBRN Fc1ccc(COc2ccc3ccccc3c2/C=N/NCc2ccccc2Cl)cc1 ZINC000008811984 569341967 /nfs/dbraw/zinc/34/19/67/569341967.db2.gz PJUNYZWJLKCIET-MUFRIFMGSA-N 0 0 418.899 6.335 40 30 HKEBRN Cc1ccc(COc2ccc3ccccc3c2/C=N/NCc2ccccc2Cl)cc1 ZINC000008811990 569341991 /nfs/dbraw/zinc/34/19/91/569341991.db2.gz ZSAZXNHRFCUBFW-STBIYBPSSA-N 0 0 414.936 6.504 40 30 HKEBRN Clc1cccc(Cn2cc(/C=N/NCc3ccccc3Cl)c3ccccc32)c1 ZINC000008811997 569341965 /nfs/dbraw/zinc/34/19/65/569341965.db2.gz GXYLQASNWLETPR-MZJWZYIUSA-N 0 0 408.332 6.120 40 30 HKEBRN O=[N+]([O-])c1ccc(Cn2cc(/C=N/NCc3ccccc3Cl)c3ccccc32)cc1 ZINC000008812000 569341978 /nfs/dbraw/zinc/34/19/78/569341978.db2.gz QTVIJEUIWATMCS-VULFUBBASA-N 0 0 418.884 5.375 40 30 HKEBRN Cc1c(/C=N/NCc2ccccc2Cl)c2ccccc2n1Cc1cccc(Cl)c1 ZINC000008812006 569341970 /nfs/dbraw/zinc/34/19/70/569341970.db2.gz QVOINMAMMDQFOM-RWPZCVJISA-N 0 0 422.359 6.429 40 30 HKEBRN Cc1c(/C=N/NCc2ccccc2Cl)c2ccccc2n1Cc1ccc(Cl)cc1 ZINC000008812009 569341990 /nfs/dbraw/zinc/34/19/90/569341990.db2.gz VFKPUSHUJRREHB-RWPZCVJISA-N 0 0 422.359 6.429 40 30 HKEBRN Cc1c(/C=N/NCc2ccccc2Cl)c2ccccc2n1Cc1ccccc1C#N ZINC000008812019 569341980 /nfs/dbraw/zinc/34/19/80/569341980.db2.gz MTVMGDLNWJNRPR-MUFRIFMGSA-N 0 0 412.924 5.647 40 30 HKEBRN Cc1c(/C=N/NCc2ccccc2Cl)c2ccccc2n1Cc1ccc(C)cc1 ZINC000008812021 569342009 /nfs/dbraw/zinc/34/20/09/569342009.db2.gz UDFITCKTGXCQHT-LQKURTRISA-N 0 0 401.941 6.084 40 30 HKEBRN Cc1c(/C=N/NCc2ccccc2Cl)c2ccccc2n1Cc1ccccc1C ZINC000008812023 569342011 /nfs/dbraw/zinc/34/20/11/569342011.db2.gz OOYZEEPEYNXOLS-LQKURTRISA-N 0 0 401.941 6.084 40 30 HKEBRN Cc1c(/C=N/NCc2ccccc2Cl)c2ccccc2n1Cc1ccc(C#N)cc1 ZINC000008812025 569341969 /nfs/dbraw/zinc/34/19/69/569341969.db2.gz NHGOWUPCWWSKSG-MUFRIFMGSA-N 0 0 412.924 5.647 40 30 HKEBRN Cc1c(/C=N/NCc2ccccc2Cl)c2ccccc2n1Cc1cccc(C#N)c1 ZINC000008812026 569341964 /nfs/dbraw/zinc/34/19/64/569341964.db2.gz OVMPAXYAVXNRIG-MUFRIFMGSA-N 0 0 412.924 5.647 40 30 HKEBRN COc1ccccc1/C=C1\S/C(=N\c2cc(C(F)(F)F)ccc2Cl)NC1=O ZINC000008820729 557810295 /nfs/dbraw/zinc/81/02/95/557810295.db2.gz CAZGFTWHNQWHKD-NVNXTCNLSA-N 0 0 412.820 5.259 40 30 HKEBRN COc1ccc(/C=C2\S/C(=N\c3ccc(Cl)c(C(F)(F)F)c3)NC2=O)cc1 ZINC000008820731 557810309 /nfs/dbraw/zinc/81/03/09/557810309.db2.gz HGCCSZDLAFUGGD-NVNXTCNLSA-N 0 0 412.820 5.259 40 30 HKEBRN COc1ccc(/C=C2\S/C(=N\c3cc(C(F)(F)F)ccc3Cl)NC2=O)cc1 ZINC000008820732 523427867 /nfs/dbraw/zinc/42/78/67/523427867.db2.gz OLRNRCZSVPKLQN-NVNXTCNLSA-N 0 0 412.820 5.259 40 30 HKEBRN COc1ccc(/C=C2\S/C(=N\c3ccc(Cl)cc3C(F)(F)F)NC2=O)cc1 ZINC000008820733 557810350 /nfs/dbraw/zinc/81/03/50/557810350.db2.gz ROXCBRXPAODWQJ-NVNXTCNLSA-N 0 0 412.820 5.259 40 30 HKEBRN CCOc1ccccc1/N=C1/NC(=O)/C(=C\c2ccc(-c3ccccc3Cl)o2)S1 ZINC000008820924 557810375 /nfs/dbraw/zinc/81/03/75/557810375.db2.gz KVGJIRJRJPZJEK-DEDYPNTBSA-N 0 0 424.909 5.890 40 30 HKEBRN CCOc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(-c4ccccc4Cl)o3)S2)cc1 ZINC000008820925 520859384 /nfs/dbraw/zinc/85/93/84/520859384.db2.gz QPOBVCWUBGGTEV-DEDYPNTBSA-N 0 0 424.909 5.890 40 30 HKEBRN O=C1N/C(=N/c2ccc(Cl)cc2)S/C1=C/c1ccc(-c2ccccc2Cl)o1 ZINC000008820927 557810323 /nfs/dbraw/zinc/81/03/23/557810323.db2.gz ZVOZXXBDWLMGCE-WOJGMQOQSA-N 0 0 415.301 6.145 40 30 HKEBRN CCOc1ccccc1/N=C1/NC(=O)/C(=C\c2ccc(-c3cccc(Cl)c3)o2)S1 ZINC000008820943 557810372 /nfs/dbraw/zinc/81/03/72/557810372.db2.gz VSQHMIIKCPNOTQ-DEDYPNTBSA-N 0 0 424.909 5.890 40 30 HKEBRN CCOc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(-c4cccc(Cl)c4)o3)S2)cc1 ZINC000008820944 520859193 /nfs/dbraw/zinc/85/91/93/520859193.db2.gz XFBDHXJSMUIBLV-DEDYPNTBSA-N 0 0 424.909 5.890 40 30 HKEBRN O=C1N/C(=N/c2ccc(Cl)cc2)S/C1=C/c1ccc(-c2cccc(Cl)c2)o1 ZINC000008820947 527041232 /nfs/dbraw/zinc/04/12/32/527041232.db2.gz PPCRLFBMAOJEIH-WOJGMQOQSA-N 0 0 415.301 6.145 40 30 HKEBRN Cc1cccc(/N=C2/NC(=O)/C(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)S2)c1C ZINC000008821057 557810361 /nfs/dbraw/zinc/81/03/61/557810361.db2.gz IQVSJQLGDOVCPB-UDWIEESQSA-N 0 0 419.462 5.363 40 30 HKEBRN Cc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)S2)cc1C ZINC000008821058 557810282 /nfs/dbraw/zinc/81/02/82/557810282.db2.gz KJXDXYGTYBNZKF-UDWIEESQSA-N 0 0 419.462 5.363 40 30 HKEBRN Cc1ccc(C)c(/N=C2/NC(=O)/C(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)S2)c1 ZINC000008821059 557810369 /nfs/dbraw/zinc/81/03/69/557810369.db2.gz MOBAUEHKXFYLTP-UDWIEESQSA-N 0 0 419.462 5.363 40 30 HKEBRN Cc1cccc(/N=C2/NC(=O)/C(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)S2)c1C ZINC000008821082 557810279 /nfs/dbraw/zinc/81/02/79/557810279.db2.gz ADCIXQQEMOCINU-UDWIEESQSA-N 0 0 419.462 5.363 40 30 HKEBRN Cc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)S2)cc1C ZINC000008821083 557810341 /nfs/dbraw/zinc/81/03/41/557810341.db2.gz IEPPDFZBOGTEOS-UDWIEESQSA-N 0 0 419.462 5.363 40 30 HKEBRN Cc1ccc(C)c(/N=C2/NC(=O)/C(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)S2)c1 ZINC000008821084 557810292 /nfs/dbraw/zinc/81/02/92/557810292.db2.gz SFNUBTJTJJYKMV-UDWIEESQSA-N 0 0 419.462 5.363 40 30 HKEBRN Cc1cccc(/N=C2/NC(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)S2)c1C ZINC000008821109 557810505 /nfs/dbraw/zinc/81/05/05/557810505.db2.gz IJLFKROORICQML-UDWIEESQSA-N 0 0 419.462 5.363 40 30 HKEBRN Cc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)S2)cc1C ZINC000008821110 557810499 /nfs/dbraw/zinc/81/04/99/557810499.db2.gz RBWAEUQBAXTBAF-UDWIEESQSA-N 0 0 419.462 5.363 40 30 HKEBRN Cc1ccc(C)c(/N=C2/NC(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)S2)c1 ZINC000008821111 557810494 /nfs/dbraw/zinc/81/04/94/557810494.db2.gz VOGDCWBUUGTKND-UDWIEESQSA-N 0 0 419.462 5.363 40 30 HKEBRN O=C1N/C(=N/c2ccc(Cl)c(C(F)(F)F)c2)S/C1=C\c1ccccc1Cl ZINC000008821137 557810549 /nfs/dbraw/zinc/81/05/49/557810549.db2.gz RFFPIERPAFVZLX-AUWJEWJLSA-N 0 0 417.239 5.904 40 30 HKEBRN O=C1N/C(=N/c2cc(C(F)(F)F)ccc2Cl)S/C1=C\c1ccccc1Cl ZINC000008821138 527041102 /nfs/dbraw/zinc/04/11/02/527041102.db2.gz IUZLHPHORCRVEA-AUWJEWJLSA-N 0 0 417.239 5.904 40 30 HKEBRN O=C1N/C(=N/c2ccc(Cl)cc2C(F)(F)F)S/C1=C\c1ccccc1Cl ZINC000008821139 557810558 /nfs/dbraw/zinc/81/05/58/557810558.db2.gz XLEJAWPKIUYBDG-AUWJEWJLSA-N 0 0 417.239 5.904 40 30 HKEBRN O=C1N/C(=N/c2ccc(Cl)c(C(F)(F)F)c2)S/C1=C\c1ccc(Cl)cc1 ZINC000008821140 557810534 /nfs/dbraw/zinc/81/05/34/557810534.db2.gz VCJPQEKQGMISAM-AUWJEWJLSA-N 0 0 417.239 5.904 40 30 HKEBRN O=C1N/C(=N/c2cc(C(F)(F)F)ccc2Cl)S/C1=C\c1ccc(Cl)cc1 ZINC000008821141 557810535 /nfs/dbraw/zinc/81/05/35/557810535.db2.gz NJXFZKZSRIHGEM-AUWJEWJLSA-N 0 0 417.239 5.904 40 30 HKEBRN O=C1N/C(=N/c2ccc(Cl)cc2C(F)(F)F)S/C1=C\c1ccc(Cl)cc1 ZINC000008821142 557810526 /nfs/dbraw/zinc/81/05/26/557810526.db2.gz YSDBNYHTEFBRGJ-AUWJEWJLSA-N 0 0 417.239 5.904 40 30 HKEBRN O=C1N/C(=N/c2ccccc2C(F)(F)F)S/C1=C\c1ccc(Cl)cc1Cl ZINC000008821144 557810552 /nfs/dbraw/zinc/81/05/52/557810552.db2.gz MQHNBAOQONKZNR-AUWJEWJLSA-N 0 0 417.239 5.904 40 30 HKEBRN O=C1N/C(=N/c2cccc(C(F)(F)F)c2)S/C1=C\c1ccc(Cl)cc1Cl ZINC000008821145 557810539 /nfs/dbraw/zinc/81/05/39/557810539.db2.gz YRMGPMKDKZUUSU-NSIKDUERSA-N 0 0 417.239 5.904 40 30 HKEBRN O=C1N/C(=N/c2cccc(Cl)c2Cl)S/C1=C\c1ccc(Cl)cc1Cl ZINC000008821149 557810521 /nfs/dbraw/zinc/81/05/21/557810521.db2.gz ZIRBYOWSXHURST-MLPAPPSSSA-N 0 0 418.132 6.192 40 30 HKEBRN O=C1N/C(=N/c2ccc(Cl)cc2Cl)S/C1=C\c1ccc(Cl)cc1Cl ZINC000008821150 557810496 /nfs/dbraw/zinc/81/04/96/557810496.db2.gz OIPROQODTWEASX-RZNTYIFUSA-N 0 0 418.132 6.192 40 30 HKEBRN O=C1N/C(=N/c2ccc(Cl)c(Cl)c2)S/C1=C\c1ccc(Cl)cc1Cl ZINC000008821151 557810529 /nfs/dbraw/zinc/81/05/29/557810529.db2.gz SWNZYECECPXGOU-RZNTYIFUSA-N 0 0 418.132 6.192 40 30 HKEBRN O=C1N/C(=N/c2ccc(F)c(Cl)c2)S/C1=C\c1cccc(Br)c1 ZINC000008821161 557810502 /nfs/dbraw/zinc/81/05/02/557810502.db2.gz KVUUQIOKFSSZEC-AUWJEWJLSA-N 0 0 411.683 5.133 40 30 HKEBRN O=C1N/C(=N/c2ccc(F)c(Cl)c2)S/C1=C\c1ccc(Br)cc1 ZINC000008821174 557810516 /nfs/dbraw/zinc/81/05/16/557810516.db2.gz WJXVDJRYLINIPU-AUWJEWJLSA-N 0 0 411.683 5.133 40 30 HKEBRN CC(=C\c1ccccc1)/C=C1\S/C(=N\c2cc(C(F)(F)F)ccc2Cl)NC1=O ZINC000008821202 557810489 /nfs/dbraw/zinc/81/04/89/557810489.db2.gz AUCQELDSWJXRFW-YZXVBUGESA-N 0 0 422.859 6.197 40 30 HKEBRN O=C1N/C(=N/c2ccccc2)S/C1=C/c1ccc(-c2c(Cl)cccc2Cl)o1 ZINC000008821215 557810523 /nfs/dbraw/zinc/81/05/23/557810523.db2.gz LLQAOUQTVYILGM-GZTJUZNOSA-N 0 0 415.301 6.145 40 30 HKEBRN O=C1c2ccc(Cl)cc2S/C1=C1/C(=O)c2ccc(Cl)c3c2c1ccc3Cl ZINC000008870401 527120857 /nfs/dbraw/zinc/12/08/57/527120857.db2.gz CRTKFJVHNASART-CAPFRKAQSA-N 0 0 417.700 6.696 40 30 HKEBRN C=CCOc1cccc(NC(=O)COc2ccc(C(C)(C)C)cc2Br)c1 ZINC000008905005 568984400 /nfs/dbraw/zinc/98/44/00/568984400.db2.gz WBXZTTSOHZXPLM-UHFFFAOYSA-N 0 0 418.331 5.329 40 30 HKEBRN COc1ccc(-c2cc(-c3ccccc3)nc(N=NC(C)c3ccccc3)n2)cc1OC ZINC000008927102 560640481 /nfs/dbraw/zinc/64/04/81/560640481.db2.gz FZLOHPKKIZYTPZ-RDRPBHBLSA-N 0 0 424.504 5.664 40 30 HKEBRN COc1cccc(/C=N/c2ccc3oc(-c4ccc(Br)cc4)nc3c2)c1O ZINC000008927126 560640448 /nfs/dbraw/zinc/64/04/48/560640448.db2.gz YVNGYSZCNDCJEC-FSJBWODESA-N 0 0 423.266 5.722 40 30 HKEBRN O=[N+]([O-])c1ccc(-c2ccc(C=NNc3c(Cl)cc(Cl)cc3Cl)o2)cc1 ZINC000008989906 568938671 /nfs/dbraw/zinc/93/86/71/568938671.db2.gz UBVBHNKSFWVORU-ZVBGSRNCSA-N 0 0 410.644 6.261 40 30 HKEBRN N#Cc1ccccc1NC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccccc21 ZINC000009056723 569391305 /nfs/dbraw/zinc/39/13/05/569391305.db2.gz LHWHWKDBFBCIJJ-UHFFFAOYSA-N 0 0 418.283 6.333 40 30 HKEBRN O=c1oc2ccc(Cl)cc2cc1-c1csc(N=NCc2ccccc2Cl)n1 ZINC000009058702 557016972 /nfs/dbraw/zinc/01/69/72/557016972.db2.gz LJFUEVPYLOQGKY-LSFURLLWSA-N 0 0 416.289 5.669 40 30 HKEBRN C=CCn1c(SCc2ccccc2Cl)nnc1-c1ccc(Br)cc1 ZINC000009145677 569391666 /nfs/dbraw/zinc/39/16/66/569391666.db2.gz WKSGGJPTNUSBSC-UHFFFAOYSA-N 0 0 420.763 5.839 40 30 HKEBRN Clc1ccccc1COc1ccccc1/C=N/NCc1c(Cl)cccc1Cl ZINC000009194969 557827336 /nfs/dbraw/zinc/82/73/36/557827336.db2.gz ZUSZWOVZLKUDQP-BRJLIKDPSA-N 0 0 419.739 6.350 40 30 HKEBRN Clc1cccc(COc2ccccc2/C=N/NCc2c(Cl)cccc2Cl)c1 ZINC000009194977 557827311 /nfs/dbraw/zinc/82/73/11/557827311.db2.gz YPGLJYQPPNHVRK-BRJLIKDPSA-N 0 0 419.739 6.350 40 30 HKEBRN Clc1ccc(COc2ccccc2/C=N/NCc2c(Cl)cccc2Cl)cc1 ZINC000009194984 557827305 /nfs/dbraw/zinc/82/73/05/557827305.db2.gz VFVDEVDEERNOJW-BRJLIKDPSA-N 0 0 419.739 6.350 40 30 HKEBRN C=CCOc1ccc(Br)cc1/C=N/NCc1c(Cl)cccc1Cl ZINC000009195025 557827318 /nfs/dbraw/zinc/82/73/18/557827318.db2.gz SUPFQXXBJFRBDP-UFFVCSGVSA-N 0 0 414.130 5.444 40 30 HKEBRN Clc1ccccc1COc1ccc(/C=N/NCc2c(Cl)cccc2Cl)cc1 ZINC000009195103 557827485 /nfs/dbraw/zinc/82/74/85/557827485.db2.gz DTEXACNZLORHPX-BRJLIKDPSA-N 0 0 419.739 6.350 40 30 HKEBRN Clc1ccc(COc2ccc(/C=N/NCc3c(Cl)cccc3Cl)cc2)cc1 ZINC000009195112 557827519 /nfs/dbraw/zinc/82/75/19/557827519.db2.gz GYQDFFRHYGHLGD-BRJLIKDPSA-N 0 0 419.739 6.350 40 30 HKEBRN N#Cc1ccccc1COc1ccc(/C=N/NCc2c(Cl)cccc2Cl)cc1 ZINC000009195141 557827507 /nfs/dbraw/zinc/82/75/07/557827507.db2.gz FLLITUMEUKDHDB-LGJNPRDNSA-N 0 0 410.304 5.568 40 30 HKEBRN COc1cc(/C=N/NCc2c(Cl)cccc2Cl)ccc1OCc1ccccc1 ZINC000009195278 557827503 /nfs/dbraw/zinc/82/75/03/557827503.db2.gz CFAMKAJDLQLNON-DHRITJCHSA-N 0 0 415.320 5.705 40 30 HKEBRN C#CCOc1c(Cl)cc(/C=N/NCc2c(Cl)cccc2Cl)cc1OCC ZINC000009195449 557827536 /nfs/dbraw/zinc/82/75/36/557827536.db2.gz ZOYFEJGXRSYOMZ-FOKLQQMPSA-N 0 0 411.716 5.181 40 30 HKEBRN Clc1cccc(-c2ccc(/C=N/NCc3c(Cl)cccc3Cl)o2)c1Cl ZINC000009195499 557827510 /nfs/dbraw/zinc/82/75/10/557827510.db2.gz XDSRHOCNVDCDCL-NUGSKGIGSA-N 0 0 414.119 6.684 40 30 HKEBRN Clc1ccc(-c2ccc(/C=N/NCc3c(Cl)cccc3Cl)o2)cc1Cl ZINC000009195504 557827479 /nfs/dbraw/zinc/82/74/79/557827479.db2.gz KLOMYLRJIWNWMG-NUGSKGIGSA-N 0 0 414.119 6.684 40 30 HKEBRN Clc1ccc(-c2ccc(/C=N/NCc3c(Cl)cccc3Cl)o2)c(Cl)c1 ZINC000009195510 557827534 /nfs/dbraw/zinc/82/75/34/557827534.db2.gz LBOOUMKEHCUCFK-NUGSKGIGSA-N 0 0 414.119 6.684 40 30 HKEBRN Clc1ccc(Cl)c(-c2ccc(/C=N/NCc3c(Cl)cccc3Cl)o2)c1 ZINC000009195514 557827493 /nfs/dbraw/zinc/82/74/93/557827493.db2.gz VSTQFXIFEQCBEV-NUGSKGIGSA-N 0 0 414.119 6.684 40 30 HKEBRN Clc1cccc(Cl)c1CN/N=C/c1ccc(-c2ccc(Br)cc2)o1 ZINC000009195520 557827511 /nfs/dbraw/zinc/82/75/11/557827511.db2.gz MPOWDWCDRIKXDZ-LSHDLFTRSA-N 0 0 424.125 6.140 40 30 HKEBRN FC(F)(F)c1cccc(-c2ccc(/C=N/NCc3c(Cl)cccc3Cl)o2)c1 ZINC000009195555 557827517 /nfs/dbraw/zinc/82/75/17/557827517.db2.gz SOIMBOOPZMTMJB-KIBLKLHPSA-N 0 0 413.226 6.396 40 30 HKEBRN COC(=O)c1cccc(-c2ccc(/C=N/NCc3c(Cl)cccc3Cl)o2)c1 ZINC000009195562 557827525 /nfs/dbraw/zinc/82/75/25/557827525.db2.gz PTSWUFZIMLMOKR-FOKLQQMPSA-N 0 0 403.265 5.164 40 30 HKEBRN CCOC(=O)c1cccc(-c2ccc(/C=N/NCc3c(Cl)cccc3Cl)o2)c1 ZINC000009195568 557827538 /nfs/dbraw/zinc/82/75/38/557827538.db2.gz UOSZIYZGSPVWKU-WYMPLXKRSA-N 0 0 417.292 5.554 40 30 HKEBRN COC(=O)c1ccc(-c2ccc(/C=N/NCc3c(Cl)cccc3Cl)o2)cc1 ZINC000009195573 557827474 /nfs/dbraw/zinc/82/74/74/557827474.db2.gz JLIDJZHFPYJZGK-FOKLQQMPSA-N 0 0 403.265 5.164 40 30 HKEBRN CCOC(=O)c1ccc(-c2ccc(/C=N/NCc3c(Cl)cccc3Cl)o2)cc1 ZINC000009195579 557827490 /nfs/dbraw/zinc/82/74/90/557827490.db2.gz PLTZZMIYUUYQFC-WYMPLXKRSA-N 0 0 417.292 5.554 40 30 HKEBRN O=[N+]([O-])c1cc(F)ccc1-c1ccc(/C=N/NCc2c(Cl)cccc2Cl)o1 ZINC000009195606 557827532 /nfs/dbraw/zinc/82/75/32/557827532.db2.gz XJLSXOGMDBFVHF-LSFURLLWSA-N 0 0 408.216 5.424 40 30 HKEBRN COC(=O)c1ccccc1-c1ccc(/C=N/NCc2c(Cl)cccc2Cl)o1 ZINC000009195620 557827522 /nfs/dbraw/zinc/82/75/22/557827522.db2.gz UTEGBOMFEZOPEP-FOKLQQMPSA-N 0 0 403.265 5.164 40 30 HKEBRN COc1ccc(-c2ccc(/C=N/NCc3c(Cl)cccc3Cl)o2)c([N+](=O)[O-])c1 ZINC000009195628 557827499 /nfs/dbraw/zinc/82/74/99/557827499.db2.gz CXLMIEKWLVYGTQ-LSHDLFTRSA-N 0 0 420.252 5.294 40 30 HKEBRN Cc1ccc(-c2ccc(/C=N/NCc3c(Cl)cccc3Cl)o2)c([N+](=O)[O-])c1 ZINC000009195635 557827470 /nfs/dbraw/zinc/82/74/70/557827470.db2.gz RDIBGHWEJADDJR-LSHDLFTRSA-N 0 0 404.253 5.594 40 30 HKEBRN O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(/C=N/NCc2c(Cl)cccc2Cl)o1 ZINC000009195642 557827461 /nfs/dbraw/zinc/82/74/61/557827461.db2.gz HOFFKSZJXDIREA-LSFURLLWSA-N 0 0 424.671 5.939 40 30 HKEBRN COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NCc2c(Cl)cccc2Cl)o1 ZINC000009195655 557827527 /nfs/dbraw/zinc/82/75/27/557827527.db2.gz OKLPNSQMIQHBCO-LSHDLFTRSA-N 0 0 420.252 5.294 40 30 HKEBRN Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NCc2c(Cl)cccc2Cl)o1 ZINC000009195662 557827514 /nfs/dbraw/zinc/82/75/14/557827514.db2.gz YYRGHYVQUIDNDK-LSHDLFTRSA-N 0 0 404.253 5.594 40 30 HKEBRN Cc1ccc(-c2ccc(/C=N/NCc3c(Cl)cccc3Cl)o2)cc1[N+](=O)[O-] ZINC000009195666 557827482 /nfs/dbraw/zinc/82/74/82/557827482.db2.gz KHIXULJATDPZMI-LSHDLFTRSA-N 0 0 404.253 5.594 40 30 HKEBRN O=[N+]([O-])c1ccc(Cl)c(-c2ccc(/C=N/NCc3c(Cl)cccc3Cl)o2)c1 ZINC000009195672 557827501 /nfs/dbraw/zinc/82/75/01/557827501.db2.gz GNICLEYSXSELNX-LSFURLLWSA-N 0 0 424.671 5.939 40 30 HKEBRN O=[N+]([O-])c1cc(-c2ccc(/C=N/NCc3c(Cl)cccc3Cl)o2)ccc1Cl ZINC000009195676 557827523 /nfs/dbraw/zinc/82/75/23/557827523.db2.gz XYGKFHCBCVXVTA-LSFURLLWSA-N 0 0 424.671 5.939 40 30 HKEBRN O=[N+]([O-])c1ccc(-c2ccc(/C=N/NCc3c(Cl)cccc3Cl)o2)c(Cl)c1 ZINC000009195683 557827676 /nfs/dbraw/zinc/82/76/76/557827676.db2.gz CXCVOHNVKJKFAY-LSFURLLWSA-N 0 0 424.671 5.939 40 30 HKEBRN Clc1cccc(Cl)c1CN/N=C/c1cn(Cc2ccccc2)c2ccccc12 ZINC000009196031 557827668 /nfs/dbraw/zinc/82/76/68/557827668.db2.gz SRCLKBRUEAEHPA-LGJNPRDNSA-N 0 0 408.332 6.120 40 30 HKEBRN Cc1ccc(Cn2cc(/C=N/NCc3c(Cl)cccc3Cl)c3ccccc32)cc1 ZINC000009196075 557827730 /nfs/dbraw/zinc/82/77/30/557827730.db2.gz IYLBENHJVQKTEX-UVHMKAGCSA-N 0 0 422.359 6.429 40 30 HKEBRN Cc1ccccc1Cn1cc(/C=N/NCc2c(Cl)cccc2Cl)c2ccccc21 ZINC000009196081 557827742 /nfs/dbraw/zinc/82/77/42/557827742.db2.gz FOMCMSULNZBHQU-UVHMKAGCSA-N 0 0 422.359 6.429 40 30 HKEBRN Clc1ccccc1COc1cccc(/C=N/NCc2c(Cl)cccc2Cl)c1 ZINC000009196146 557827682 /nfs/dbraw/zinc/82/76/82/557827682.db2.gz QKUFEBMHRJXKHM-BRJLIKDPSA-N 0 0 419.739 6.350 40 30 HKEBRN Clc1ccc(COc2cccc(/C=N/NCc3c(Cl)cccc3Cl)c2)cc1 ZINC000009196152 557827672 /nfs/dbraw/zinc/82/76/72/557827672.db2.gz VLIBIWYNVRNOTJ-BRJLIKDPSA-N 0 0 419.739 6.350 40 30 HKEBRN Cc1cc(/C=N/NCc2c(Cl)cccc2Cl)c(C)n1-c1oc(C)c(C)c1C#N ZINC000009196240 557827706 /nfs/dbraw/zinc/82/77/06/557827706.db2.gz YSIDRMFAHVDHEK-KIBLKLHPSA-N 0 0 415.324 5.606 40 30 HKEBRN Cc1cc(/C=N/NCc2c(Cl)cccc2Cl)c(C)n1-c1cccc2ccccc21 ZINC000009196436 557827735 /nfs/dbraw/zinc/82/77/35/557827735.db2.gz RKKOOLIUTKRIGS-MZJWZYIUSA-N 0 0 422.359 6.678 40 30 HKEBRN Cc1cc(/C=N/NCc2c(Cl)cccc2Cl)c(C)n1-c1ccccc1Cl ZINC000009196449 557827709 /nfs/dbraw/zinc/82/77/09/557827709.db2.gz JJSJMMDNJURPDX-BHGWPJFGSA-N 0 0 406.744 6.178 40 30 HKEBRN Cc1cc(/C=N/NCc2c(Cl)cccc2Cl)c(C)n1-c1cccc(Cl)c1 ZINC000009196456 557827732 /nfs/dbraw/zinc/82/77/32/557827732.db2.gz FYSZFTAORWGPJM-BHGWPJFGSA-N 0 0 406.744 6.178 40 30 HKEBRN Cc1cc(/C=N/NCc2c(Cl)cccc2Cl)c(C)n1-c1ccc(Cl)cc1 ZINC000009196461 557827737 /nfs/dbraw/zinc/82/77/37/557827737.db2.gz SCZKDGWZEVHGAG-BHGWPJFGSA-N 0 0 406.744 6.178 40 30 HKEBRN COc1ccc(-n2c(C)cc(/C=N/NCc3c(Cl)cccc3Cl)c2C)cc1 ZINC000009196523 557827727 /nfs/dbraw/zinc/82/77/27/557827727.db2.gz CGUPBOIRMSCODF-WYMPLXKRSA-N 0 0 402.325 5.533 40 30 HKEBRN Cc1cc(/C=N/NCc2c(Cl)cccc2Cl)c(C)n1-c1ccc(C)c(Cl)c1 ZINC000009196571 557827664 /nfs/dbraw/zinc/82/76/64/557827664.db2.gz IUZITFQGNOYVMO-OPEKNORGSA-N 0 0 420.771 6.486 40 30 HKEBRN Cc1cc(/C=N/NCc2c(Cl)cccc2Cl)c(C)n1-c1cc(Cl)ccc1C ZINC000009196578 557827689 /nfs/dbraw/zinc/82/76/89/557827689.db2.gz HWQHPYMODAWENO-OPEKNORGSA-N 0 0 420.771 6.486 40 30 HKEBRN O=[N+]([O-])c1ccccc1OCc1ccc(/C=N/NCc2c(Cl)cccc2Cl)o1 ZINC000009196645 557827700 /nfs/dbraw/zinc/82/77/00/557827700.db2.gz NURLGXMPCRHAGI-LSHDLFTRSA-N 0 0 420.252 5.197 40 30 HKEBRN CCOc1ccc(-n2c(C)cc(/C=N/NCc3c(Cl)cccc3Cl)c2C)cc1 ZINC000009196677 557827864 /nfs/dbraw/zinc/82/78/64/557827864.db2.gz VABQMQDWCDKHBA-DHRITJCHSA-N 0 0 416.352 5.923 40 30 HKEBRN Fc1ccc(COc2ccccc2/C=N/NCc2c(Cl)cccc2Cl)cc1 ZINC000009196757 557827832 /nfs/dbraw/zinc/82/78/32/557827832.db2.gz VFWVBQXHBKHIHM-BRJLIKDPSA-N 0 0 403.284 5.835 40 30 HKEBRN N#Cc1ccccc1COc1ccccc1/C=N/NCc1c(Cl)cccc1Cl ZINC000009196771 557827838 /nfs/dbraw/zinc/82/78/38/557827838.db2.gz WTEOOZIMIQXRIT-LGJNPRDNSA-N 0 0 410.304 5.568 40 30 HKEBRN N#Cc1ccc(COc2ccccc2/C=N/NCc2c(Cl)cccc2Cl)cc1 ZINC000009196776 557827874 /nfs/dbraw/zinc/82/78/74/557827874.db2.gz HRQJNBPVNZKGTO-LGJNPRDNSA-N 0 0 410.304 5.568 40 30 HKEBRN N#Cc1cccc(COc2ccccc2/C=N/NCc2c(Cl)cccc2Cl)c1 ZINC000009196782 557827881 /nfs/dbraw/zinc/82/78/81/557827881.db2.gz JRBRRGVHDUYBNT-LGJNPRDNSA-N 0 0 410.304 5.568 40 30 HKEBRN Clc1ccc(OCc2ccccc2)c(/C=N/NCc2c(Cl)cccc2Cl)c1 ZINC000009196817 557827816 /nfs/dbraw/zinc/82/78/16/557827816.db2.gz UXWWTILCUCBXHF-BRJLIKDPSA-N 0 0 419.739 6.350 40 30 HKEBRN CCOc1ccc(Br)cc1/C=N/NCc1c(Cl)cccc1Cl ZINC000009196889 557827847 /nfs/dbraw/zinc/82/78/47/557827847.db2.gz AIRCYOUFLWIEIS-AWQFTUOYSA-N 0 0 402.119 5.278 40 30 HKEBRN CCCOc1ccc(Br)cc1/C=N/NCc1c(Cl)cccc1Cl ZINC000009196897 557827824 /nfs/dbraw/zinc/82/78/24/557827824.db2.gz BBLOWXRHVFNYMP-UFFVCSGVSA-N 0 0 416.146 5.668 40 30 HKEBRN Clc1cccc(COc2ccc(/C=N/NCc3c(Cl)cccc3Cl)cc2)c1 ZINC000009196932 557827876 /nfs/dbraw/zinc/82/78/76/557827876.db2.gz TVHPYSVLSWWRIR-BRJLIKDPSA-N 0 0 419.739 6.350 40 30 HKEBRN CC(C)Oc1ccc(Br)cc1/C=N/NCc1c(Cl)cccc1Cl ZINC000009196943 557827829 /nfs/dbraw/zinc/82/78/29/557827829.db2.gz ASTCTZPMUNWOSM-ZVBGSRNCSA-N 0 0 416.146 5.667 40 30 HKEBRN Fc1ccc(COc2ccc(/C=N/NCc3c(Cl)cccc3Cl)cc2)cc1 ZINC000009196948 557827885 /nfs/dbraw/zinc/82/78/85/557827885.db2.gz VRBIHWBQZDLVQN-BRJLIKDPSA-N 0 0 403.284 5.835 40 30 HKEBRN N#Cc1ccc(COc2ccc(/C=N/NCc3c(Cl)cccc3Cl)cc2)cc1 ZINC000009196959 557827844 /nfs/dbraw/zinc/82/78/44/557827844.db2.gz VYFUSQKCMMSOLM-LGJNPRDNSA-N 0 0 410.304 5.568 40 30 HKEBRN N#Cc1cccc(COc2ccc(/C=N/NCc3c(Cl)cccc3Cl)cc2)c1 ZINC000009196963 557827851 /nfs/dbraw/zinc/82/78/51/557827851.db2.gz ARVDATKAJNIVQA-LGJNPRDNSA-N 0 0 410.304 5.568 40 30 HKEBRN Clc1cccc(COc2cccc(/C=N/NCc3c(Cl)cccc3Cl)c2)c1 ZINC000009196995 557828109 /nfs/dbraw/zinc/82/81/09/557828109.db2.gz KRCBLVDGDAKDMF-BRJLIKDPSA-N 0 0 419.739 6.350 40 30 HKEBRN Fc1ccc(COc2cccc(/C=N/NCc3c(Cl)cccc3Cl)c2)cc1 ZINC000009197009 557828088 /nfs/dbraw/zinc/82/80/88/557828088.db2.gz IQXJIKQXAZMXKR-BRJLIKDPSA-N 0 0 403.284 5.835 40 30 HKEBRN N#Cc1ccccc1COc1cccc(/C=N/NCc2c(Cl)cccc2Cl)c1 ZINC000009197024 557828077 /nfs/dbraw/zinc/82/80/77/557828077.db2.gz GAHDPDHQZCEPQU-LGJNPRDNSA-N 0 0 410.304 5.568 40 30 HKEBRN N#Cc1ccc(COc2cccc(/C=N/NCc3c(Cl)cccc3Cl)c2)cc1 ZINC000009197031 557828080 /nfs/dbraw/zinc/82/80/80/557828080.db2.gz JVIDJDUCJNVERW-LGJNPRDNSA-N 0 0 410.304 5.568 40 30 HKEBRN N#Cc1cccc(COc2cccc(/C=N/NCc3c(Cl)cccc3Cl)c2)c1 ZINC000009197035 557828060 /nfs/dbraw/zinc/82/80/60/557828060.db2.gz FZUVCVPAWOZKDO-LGJNPRDNSA-N 0 0 410.304 5.568 40 30 HKEBRN CCCOc1c(Cl)cc(/C=N/NCc2c(Cl)cccc2Cl)cc1OC ZINC000009197149 557828054 /nfs/dbraw/zinc/82/80/54/557828054.db2.gz MYRRLLCBXUYKCR-LSHDLFTRSA-N 0 0 401.721 5.568 40 30 HKEBRN COc1cc(/C=N/NCc2c(Cl)cccc2Cl)cc(Cl)c1OC(C)C ZINC000009197156 557828103 /nfs/dbraw/zinc/82/81/03/557828103.db2.gz YHUXYAREHGBJQS-LSFURLLWSA-N 0 0 401.721 5.566 40 30 HKEBRN CCOc1cc(/C=N/NCc2c(Cl)cccc2Cl)cc(Cl)c1OCC ZINC000009197482 557828086 /nfs/dbraw/zinc/82/80/86/557828086.db2.gz AZCMUDAWHPXWQH-LSHDLFTRSA-N 0 0 401.721 5.568 40 30 HKEBRN CCCOc1c(Cl)cc(/C=N/NCc2c(Cl)cccc2Cl)cc1OCC ZINC000009197490 557828041 /nfs/dbraw/zinc/82/80/41/557828041.db2.gz OQIPCCBANGOXSA-FOKLQQMPSA-N 0 0 415.748 5.958 40 30 HKEBRN CCOc1cc(/C=N/NCc2c(Cl)cccc2Cl)cc(Cl)c1OC(C)C ZINC000009197497 557828027 /nfs/dbraw/zinc/82/80/27/557828027.db2.gz QEVFZCTXBAEVDV-AUEPDCJTSA-N 0 0 415.748 5.956 40 30 HKEBRN C=CCOc1c(Cl)cc(/C=N/NCc2c(Cl)cccc2Cl)cc1OCC ZINC000009197522 557828063 /nfs/dbraw/zinc/82/80/63/557828063.db2.gz DHKLWWZEJYZOSP-FOKLQQMPSA-N 0 0 413.732 5.734 40 30 HKEBRN Cc1c(/C=N/NCc2c(Cl)cccc2Cl)c2ccccc2n1Cc1ccccc1 ZINC000009197762 557828091 /nfs/dbraw/zinc/82/80/91/557828091.db2.gz OADWOUCFWBFFDV-MZJWZYIUSA-N 0 0 422.359 6.429 40 30 HKEBRN CCOc1cc(C=C2C(=O)c3ccccc3C2=O)ccc1OC(=O)Nc1ccccc1 ZINC000009232231 557830818 /nfs/dbraw/zinc/83/08/18/557830818.db2.gz BXUKFDZZLAGCQC-UHFFFAOYSA-N 0 0 413.429 5.159 40 30 HKEBRN COc1cc(C=C2C(=O)c3ccccc3C2=O)ccc1OC(=O)Nc1cccc(C)c1 ZINC000009232235 557830760 /nfs/dbraw/zinc/83/07/60/557830760.db2.gz IHNXRODKRNIDRN-UHFFFAOYSA-N 0 0 413.429 5.077 40 30 HKEBRN COc1cc(C=C2C(=O)c3ccccc3C2=O)ccc1OC(=O)Nc1ccc(C)cc1 ZINC000009232248 557830796 /nfs/dbraw/zinc/83/07/96/557830796.db2.gz URDBQMNNNDMZOX-UHFFFAOYSA-N 0 0 413.429 5.077 40 30 HKEBRN Cc1ccc(Cl)cc1/N=C1\NC(=O)/C(=C\c2cccn2-c2ccc(O)cc2)S1 ZINC000009264964 557834120 /nfs/dbraw/zinc/83/41/20/557834120.db2.gz ANALGJDPODAEQV-XDHOZWIPSA-N 0 0 409.898 5.036 40 30 HKEBRN CN(C)c1ccc(-n2ccc(/C=N/c3ccc(Br)c(Cl)c3)c2)cc1 ZINC000009265380 557834064 /nfs/dbraw/zinc/83/40/64/557834064.db2.gz RYFYKNSUBBCSCQ-WSDLNYQXSA-N 0 0 402.723 5.710 40 30 HKEBRN CC(N=Nc1nc(-c2ccc(Cl)cc2Cl)nc2ccccc21)c1ccccc1O ZINC000009272130 557057978 /nfs/dbraw/zinc/05/79/78/557057978.db2.gz PYHYGDFUCWUCPG-WKIKZPBSSA-N 0 0 423.303 6.145 40 30 HKEBRN C/N=C1\S/C(=C/c2c(OCc3ccc(C)cc3)ccc3ccccc32)C(=O)N1C ZINC000009323312 557837064 /nfs/dbraw/zinc/83/70/64/557837064.db2.gz PJEZHUQDSJPTLA-QMSJJHEMSA-N 0 0 402.519 5.259 40 30 HKEBRN O=C1N/C(=N/c2cc(Cl)ccc2Cl)S/C1=C/c1ccc(Cl)cc1Cl ZINC000009323835 527040531 /nfs/dbraw/zinc/04/05/31/527040531.db2.gz KEOQCFFVLHLSSC-LHHJGKSTSA-N 0 0 418.132 6.192 40 30 HKEBRN C=CCn1c(-c2ccc(Cl)cc2Cl)csc1=Nc1ccc(NC(C)=O)cc1 ZINC000009354829 557085851 /nfs/dbraw/zinc/08/58/51/557085851.db2.gz VLKKJRYAGFBBEU-UHFFFAOYSA-O 0 0 419.357 5.897 40 30 HKEBRN C=CCn1c(SCC(=O)Nc2cc(Cl)ccc2Cl)nnc1-c1ccccc1 ZINC000009448604 560759059 /nfs/dbraw/zinc/75/90/59/560759059.db2.gz YIYMYQNAYSACNX-UHFFFAOYSA-N 0 0 419.337 5.169 40 30 HKEBRN Clc1ccc(CN/N=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)cc1 ZINC000009879472 569342605 /nfs/dbraw/zinc/34/26/05/569342605.db2.gz TWXCWCZWBVYCTP-MZJWZYIUSA-N 0 0 408.332 6.120 40 30 HKEBRN Cc1c(/C=N/NCc2ccc(Cl)cc2)c2ccccc2n1Cc1cccc(Cl)c1 ZINC000009879486 569342615 /nfs/dbraw/zinc/34/26/15/569342615.db2.gz IOUMTGLQBNLGFM-RWPZCVJISA-N 0 0 422.359 6.429 40 30 HKEBRN Clc1ccccc1COc1ccccc1CN=Nc1nc(-c2ccccc2)cs1 ZINC000009925839 526988636 /nfs/dbraw/zinc/98/86/36/526988636.db2.gz FPKZGSYWABKZDL-AFUMVMLFSA-N 0 0 419.937 6.489 40 30 HKEBRN Cc1ccc(-c2csc(N=NCc3ccc(C(C)C)c(Br)c3)n2)cc1 ZINC000009925851 557851497 /nfs/dbraw/zinc/85/14/97/557851497.db2.gz HXKKPPKJDSTAOY-SSDVNMTOSA-N 0 0 414.372 6.450 40 30 HKEBRN Oc1ccc(Br)cc1C=Nc1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000009925877 557851460 /nfs/dbraw/zinc/85/14/60/557851460.db2.gz LVTRVQIFOGUDJN-DJKKODMXSA-N 0 0 421.092 5.058 40 30 HKEBRN COc1ccc2ccccc2c1C=Nc1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000009925879 557851404 /nfs/dbraw/zinc/85/14/04/557851404.db2.gz AVCYTTIXRCYWJP-YDZHTSKRSA-N 0 0 406.283 5.752 40 30 HKEBRN COc1cc(/C=C/C(=O)c2ccccc2)cc(Br)c1OCc1ccccc1 ZINC000010042652 560763034 /nfs/dbraw/zinc/76/30/34/560763034.db2.gz WGSUDZRQFMHCRF-OUKQBFOZSA-N 0 0 423.306 5.933 40 30 HKEBRN Clc1ccc(CN/N=C/c2ccccc2OCc2ccc(Cl)cc2Cl)cc1 ZINC000010118685 569342942 /nfs/dbraw/zinc/34/29/42/569342942.db2.gz YLRDMSGXYUPZMV-LGJNPRDNSA-N 0 0 419.739 6.350 40 30 HKEBRN Clc1ccc(CN/N=C/c2ccccc2OCc2cccc3ccccc32)cc1 ZINC000010118688 569342907 /nfs/dbraw/zinc/34/29/07/569342907.db2.gz JTJURIAHHOADBF-OGLMXYFKSA-N 0 0 400.909 6.196 40 30 HKEBRN Clc1ccc(CN/N=C/c2cc(Cl)ccc2OCc2cccc(Cl)c2)cc1 ZINC000010118690 569342910 /nfs/dbraw/zinc/34/29/10/569342910.db2.gz HRWFWJIQWDXGBL-LGJNPRDNSA-N 0 0 419.739 6.350 40 30 HKEBRN Clc1ccc(CN/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 ZINC000010118707 569342916 /nfs/dbraw/zinc/34/29/16/569342916.db2.gz KEVQIPCOTAKNEZ-LGJNPRDNSA-N 0 0 419.739 6.350 40 30 HKEBRN Clc1ccc(CN/N=C/c2ccc(OCc3cccc4ccccc43)cc2)cc1 ZINC000010118710 569342925 /nfs/dbraw/zinc/34/29/25/569342925.db2.gz QAKJTPNXVYCNQE-OGLMXYFKSA-N 0 0 400.909 6.196 40 30 HKEBRN COc1cc(/C=N/NCc2ccc(Cl)cc2)ccc1OCc1ccccc1Cl ZINC000010118737 569342939 /nfs/dbraw/zinc/34/29/39/569342939.db2.gz ZDRIYTWRXQHPQO-VULFUBBASA-N 0 0 415.320 5.705 40 30 HKEBRN COc1cc(/C=N/NCc2ccc(Cl)cc2)ccc1OCc1ccc(Cl)cc1 ZINC000010118738 569342940 /nfs/dbraw/zinc/34/29/40/569342940.db2.gz WEFMXELXDCJIPG-VULFUBBASA-N 0 0 415.320 5.705 40 30 HKEBRN CCOc1cc(/C=N/NCc2ccc(Cl)cc2)cc(Br)c1OCC ZINC000010118761 569342929 /nfs/dbraw/zinc/34/29/29/569342929.db2.gz WDSQUICSSLMFEI-WSDLNYQXSA-N 0 0 411.727 5.024 40 30 HKEBRN COC(=O)c1cc(-c2ccc(/C=N/NCc3ccc(Cl)cc3)o2)ccc1Cl ZINC000010118802 569342951 /nfs/dbraw/zinc/34/29/51/569342951.db2.gz ZDLUCYBXIRWVQM-WYMPLXKRSA-N 0 0 403.265 5.164 40 30 HKEBRN CCOC(=O)c1cc(-c2ccc(/C=N/NCc3ccc(Cl)cc3)o2)ccc1Cl ZINC000010118806 569342908 /nfs/dbraw/zinc/34/29/08/569342908.db2.gz QBOJXWZWOGYIGE-DHRITJCHSA-N 0 0 417.292 5.554 40 30 HKEBRN Cc1ccc(-c2ccc(/C=N/NCc3ccc(Cl)cc3)o2)cc1Br ZINC000010118820 560780564 /nfs/dbraw/zinc/78/05/64/560780564.db2.gz FREIADHGIVTOPJ-FSJBWODESA-N 0 0 403.707 5.795 40 30 HKEBRN Cc1c(Br)cc(/C=N/NCc2ccc(Cl)cc2)cc1Br ZINC000010118854 560781139 /nfs/dbraw/zinc/78/11/39/560781139.db2.gz KUGOKHKSCQYYEI-AWQFTUOYSA-N 0 0 416.544 5.297 40 30 HKEBRN Clc1ccc(CN/N=C/c2cn(Cc3ccccc3Cl)c3ccccc23)cc1 ZINC000010118871 569342948 /nfs/dbraw/zinc/34/29/48/569342948.db2.gz UOHIJDBLWKNBII-MZJWZYIUSA-N 0 0 408.332 6.120 40 30 HKEBRN Clc1ccc(CN/N=C/c2cn(Cc3cccc4ccccc43)c3ccccc23)cc1 ZINC000010118876 569342954 /nfs/dbraw/zinc/34/29/54/569342954.db2.gz HWWWKMTUDOGONI-OCSSWDANSA-N 0 0 423.947 6.620 40 30 HKEBRN Cc1c(/C=N/NCc2ccc(Cl)cc2)c2ccccc2n1Cc1ccccc1Cl ZINC000010118880 569342947 /nfs/dbraw/zinc/34/29/47/569342947.db2.gz CQDQMAVLQOJBPM-RWPZCVJISA-N 0 0 422.359 6.429 40 30 HKEBRN Clc1ccc(CN/N=C/c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1 ZINC000010118893 569342953 /nfs/dbraw/zinc/34/29/53/569342953.db2.gz MYBWBRHHJTXBDK-LGJNPRDNSA-N 0 0 419.739 6.350 40 30 HKEBRN Clc1ccc(CN/N=C/c2cccc(OCc3cccc4ccccc43)c2)cc1 ZINC000010118896 569342906 /nfs/dbraw/zinc/34/29/06/569342906.db2.gz NPRVYEJIXKHLBT-OGLMXYFKSA-N 0 0 400.909 6.196 40 30 HKEBRN Cc1cc(/C=N/NCc2ccc(Cl)cc2)c(C)n1-c1cccc(Cl)c1Cl ZINC000010118942 560782935 /nfs/dbraw/zinc/78/29/35/560782935.db2.gz WXGLPIBDIGHJRN-BRJLIKDPSA-N 0 0 406.744 6.178 40 30 HKEBRN Cc1cc(/C=N/NCc2ccc(Cl)cc2)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000010118943 560782873 /nfs/dbraw/zinc/78/28/73/560782873.db2.gz TWSOWSGWBYVJHT-BRJLIKDPSA-N 0 0 406.744 6.178 40 30 HKEBRN Cc1cc(/C=N/NCc2ccc(Cl)cc2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000010118944 560782916 /nfs/dbraw/zinc/78/29/16/560782916.db2.gz VUAAYWVIKFHORH-BRJLIKDPSA-N 0 0 406.744 6.178 40 30 HKEBRN Cc1cc(/C=N/NCc2ccc(Cl)cc2)c(C)n1-c1cc(Cl)ccc1Cl ZINC000010118945 560782987 /nfs/dbraw/zinc/78/29/87/560782987.db2.gz SDYKCSQKLRKLBW-BRJLIKDPSA-N 0 0 406.744 6.178 40 30 HKEBRN Cc1cc(/C=N/NCc2ccc(Cl)cc2)c(C)n1-c1ccccc1Br ZINC000010118946 560782042 /nfs/dbraw/zinc/78/20/42/560782042.db2.gz KBUDGTOALDXGOD-ZMOGYAJESA-N 0 0 416.750 5.634 40 30 HKEBRN Cc1cc(/C=N/NCc2ccc(Cl)cc2)c(C)n1-c1cccc(Br)c1 ZINC000010118947 560782007 /nfs/dbraw/zinc/78/20/07/560782007.db2.gz AAEKISWPIAABMJ-ZMOGYAJESA-N 0 0 416.750 5.634 40 30 HKEBRN Cc1cc(/C=N/NCc2ccc(Cl)cc2)c(C)n1-c1ccc(Br)cc1 ZINC000010118948 560782145 /nfs/dbraw/zinc/78/21/45/560782145.db2.gz RPWDCHWBXGBYGM-ZMOGYAJESA-N 0 0 416.750 5.634 40 30 HKEBRN CCOC(=O)c1ccccc1-n1c(C)cc(/C=N/NCc2ccc(Cl)cc2)c1C ZINC000010118953 569342909 /nfs/dbraw/zinc/34/29/09/569342909.db2.gz QJZCUIKKFRGHDR-CVKSISIWSA-N 0 0 409.917 5.048 40 30 HKEBRN CCOC(=O)c1cccc(-n2c(C)cc(/C=N/NCc3ccc(Cl)cc3)c2C)c1 ZINC000010118955 569342922 /nfs/dbraw/zinc/34/29/22/569342922.db2.gz OHCGKYQIHRWAML-CVKSISIWSA-N 0 0 409.917 5.048 40 30 HKEBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=N/NCc3ccc(Cl)cc3)c2C)cc1 ZINC000010118957 569342924 /nfs/dbraw/zinc/34/29/24/569342924.db2.gz LZPLVDOPPAZMLC-CVKSISIWSA-N 0 0 409.917 5.048 40 30 HKEBRN COc1ccc(Cl)cc1-n1c(C)cc(/C=N/NCc2ccc(Cl)cc2)c1C ZINC000010118961 569342918 /nfs/dbraw/zinc/34/29/18/569342918.db2.gz NLBKTKGUFZNCKA-DHRITJCHSA-N 0 0 402.325 5.533 40 30 HKEBRN Cc1c(/C=N/NCc2ccc(Cl)cc2)c2ccccc2n1Cc1ccc(F)cc1 ZINC000010118966 569342920 /nfs/dbraw/zinc/34/29/20/569342920.db2.gz FUHKZBHNNMWPRZ-RWPZCVJISA-N 0 0 405.904 5.914 40 30 HKEBRN Cc1cc(/C=N/NCc2ccc(Cl)cc2)c(C)n1-c1cccc(C(=O)OC(C)C)c1 ZINC000010118973 569342905 /nfs/dbraw/zinc/34/29/05/569342905.db2.gz DZEPJEXVGXDXIB-JFLMPSFJSA-N 0 0 423.944 5.436 40 30 HKEBRN Cc1cc(/C=N/NCc2ccc(Cl)cc2)c(C)n1-c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000010118974 569342944 /nfs/dbraw/zinc/34/29/44/569342944.db2.gz AUHFGDZQPGQVHL-WYMPLXKRSA-N 0 0 417.296 5.433 40 30 HKEBRN Cc1cc(/C=N/NCc2ccc(Cl)cc2)c(C)n1-c1ccc(C(=O)OC(C)C)cc1 ZINC000010118976 569342946 /nfs/dbraw/zinc/34/29/46/569342946.db2.gz YUZDJOFNVJQPSV-JFLMPSFJSA-N 0 0 423.944 5.436 40 30 HKEBRN Cc1cc(/C=N/NCc2ccc(Cl)cc2)c(C)n1-c1ccccc1C(=O)OC(C)C ZINC000010118977 569342931 /nfs/dbraw/zinc/34/29/31/569342931.db2.gz FZOOVALGZUZZIT-JFLMPSFJSA-N 0 0 423.944 5.436 40 30 HKEBRN Clc1ccc(CN/N=C/c2ccccc2OCc2ccc(Cl)c(Cl)c2)cc1 ZINC000010118988 569342928 /nfs/dbraw/zinc/34/29/28/569342928.db2.gz WZWMDPJJTNHNMM-LGJNPRDNSA-N 0 0 419.739 6.350 40 30 HKEBRN Clc1ccc(CN/N=C/c2cc(Cl)ccc2OCc2ccccc2Cl)cc1 ZINC000010119001 569342912 /nfs/dbraw/zinc/34/29/12/569342912.db2.gz MYZYMZZPNAWKLA-LGJNPRDNSA-N 0 0 419.739 6.350 40 30 HKEBRN Clc1ccc(CN/N=C/c2cc(Cl)ccc2OCc2ccc(Cl)cc2)cc1 ZINC000010119002 569342926 /nfs/dbraw/zinc/34/29/26/569342926.db2.gz HRQYENYNIZTBDI-LGJNPRDNSA-N 0 0 419.739 6.350 40 30 HKEBRN Fc1ccc(COc2ccc(Cl)cc2/C=N/NCc2ccc(Cl)cc2)cc1 ZINC000010119005 569342941 /nfs/dbraw/zinc/34/29/41/569342941.db2.gz UAOOSDFCHVQZDO-LGJNPRDNSA-N 0 0 403.284 5.835 40 30 HKEBRN N#Cc1ccccc1COc1ccc(Cl)cc1/C=N/NCc1ccc(Cl)cc1 ZINC000010119009 569342945 /nfs/dbraw/zinc/34/29/45/569342945.db2.gz SYSZBVJQCKDNPW-MZJWZYIUSA-N 0 0 410.304 5.568 40 30 HKEBRN N#Cc1cccc(COc2ccc(Cl)cc2/C=N/NCc2ccc(Cl)cc2)c1 ZINC000010119010 569342936 /nfs/dbraw/zinc/34/29/36/569342936.db2.gz CDUUUDAGOFCUJF-MZJWZYIUSA-N 0 0 410.304 5.568 40 30 HKEBRN N#Cc1ccc(COc2ccc(Cl)cc2/C=N/NCc2ccc(Cl)cc2)cc1 ZINC000010119011 569342938 /nfs/dbraw/zinc/34/29/38/569342938.db2.gz XPHYONLJUAPZKE-MZJWZYIUSA-N 0 0 410.304 5.568 40 30 HKEBRN Clc1ccc(CN/N=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)cc1 ZINC000010119021 569342956 /nfs/dbraw/zinc/34/29/56/569342956.db2.gz QFPZALVFKMKHNB-LGJNPRDNSA-N 0 0 419.739 6.350 40 30 HKEBRN Clc1ccc(CN/N=C/c2cccc(OCc3ccc(Cl)c(Cl)c3)c2)cc1 ZINC000010119033 569342933 /nfs/dbraw/zinc/34/29/33/569342933.db2.gz XWUWUEDKEWKQRD-LGJNPRDNSA-N 0 0 419.739 6.350 40 30 HKEBRN COc1cc(/C=N/NCc2ccc(Cl)cc2)ccc1OCc1cccc(Cl)c1 ZINC000010119046 569342919 /nfs/dbraw/zinc/34/29/19/569342919.db2.gz SIRXORNDASBGBS-VULFUBBASA-N 0 0 415.320 5.705 40 30 HKEBRN COc1cc(/C=N/NCc2ccc(Cl)cc2)cc(Cl)c1OCc1ccccc1 ZINC000010119061 569342978 /nfs/dbraw/zinc/34/29/78/569342978.db2.gz PISZFKLCSBSIFT-VULFUBBASA-N 0 0 415.320 5.705 40 30 HKEBRN CCCOc1c(Br)cc(/C=N/NCc2ccc(Cl)cc2)cc1OC ZINC000010119065 569342998 /nfs/dbraw/zinc/34/29/98/569342998.db2.gz YTZIQFDPEWCDJX-WSDLNYQXSA-N 0 0 411.727 5.024 40 30 HKEBRN COc1cc(/C=N/NCc2ccc(Cl)cc2)cc(Br)c1OC(C)C ZINC000010119066 569342958 /nfs/dbraw/zinc/34/29/58/569342958.db2.gz BJICAJOBDBRNSY-SSDVNMTOSA-N 0 0 411.727 5.022 40 30 HKEBRN CCOc1cc(/C=N/NCc2ccc(Cl)cc2)ccc1OCc1ccc(F)cc1 ZINC000010119087 569342974 /nfs/dbraw/zinc/34/29/74/569342974.db2.gz OAPOQUSPFVBNKY-JFLMPSFJSA-N 0 0 412.892 5.581 40 30 HKEBRN CCOc1cc(/C=N/NCc2ccc(Cl)cc2)ccc1OCc1ccccc1C#N ZINC000010119089 569342976 /nfs/dbraw/zinc/34/29/76/569342976.db2.gz PYPHFROAVDFGGW-LQKURTRISA-N 0 0 419.912 5.313 40 30 HKEBRN CCOc1cc(/C=N/NCc2ccc(Cl)cc2)ccc1OCc1ccc(C)cc1 ZINC000010119090 569342972 /nfs/dbraw/zinc/34/29/72/569342972.db2.gz XNBKEAKIEZTAIB-JVWAILMASA-N 0 0 408.929 5.750 40 30 HKEBRN CCOc1cc(/C=N/NCc2ccc(Cl)cc2)ccc1OCc1ccc(C#N)cc1 ZINC000010119091 569342967 /nfs/dbraw/zinc/34/29/67/569342967.db2.gz VFUZHONOCHSUAU-LQKURTRISA-N 0 0 419.912 5.313 40 30 HKEBRN CCOc1cc(/C=N/NCc2ccc(Cl)cc2)ccc1OCc1cccc(C#N)c1 ZINC000010119092 569342989 /nfs/dbraw/zinc/34/29/89/569342989.db2.gz AFAACUKLROBSDL-LQKURTRISA-N 0 0 419.912 5.313 40 30 HKEBRN C=CCOc1c(Br)cc(/C=N/NCc2ccc(Cl)cc2)cc1OCC ZINC000010119114 560783423 /nfs/dbraw/zinc/78/34/23/560783423.db2.gz CVXFJKJACWDZDH-YDZHTSKRSA-N 0 0 423.738 5.190 40 30 HKEBRN Clc1ccc(CN/N=C/c2c(OCc3ccccc3)ccc3ccccc32)cc1 ZINC000010119135 569342985 /nfs/dbraw/zinc/34/29/85/569342985.db2.gz ZPFROSAKUYEWNT-OGLMXYFKSA-N 0 0 400.909 6.196 40 30 HKEBRN Fc1ccc(COc2ccc3ccccc3c2/C=N/NCc2ccc(Cl)cc2)cc1 ZINC000010119140 569342996 /nfs/dbraw/zinc/34/29/96/569342996.db2.gz XJZRMQUUWOLLQR-MUFRIFMGSA-N 0 0 418.899 6.335 40 30 HKEBRN Cc1ccc(COc2ccc3ccccc3c2/C=N/NCc2ccc(Cl)cc2)cc1 ZINC000010119144 569342981 /nfs/dbraw/zinc/34/29/81/569342981.db2.gz OJGYKDIAABWTGY-STBIYBPSSA-N 0 0 414.936 6.504 40 30 HKEBRN Clc1ccc(CN/N=C/c2cn(Cc3cccc(Cl)c3)c3ccccc23)cc1 ZINC000010119150 569342962 /nfs/dbraw/zinc/34/29/62/569342962.db2.gz BUFHDCOPVBFOCJ-MZJWZYIUSA-N 0 0 408.332 6.120 40 30 HKEBRN O=[N+]([O-])c1ccc(Cn2cc(/C=N/NCc3ccc(Cl)cc3)c3ccccc32)cc1 ZINC000010119151 569342968 /nfs/dbraw/zinc/34/29/68/569342968.db2.gz ZMEACRNUBZLUAN-VULFUBBASA-N 0 0 418.884 5.375 40 30 HKEBRN Cc1c(/C=N/NCc2ccc(Cl)cc2)c2ccccc2n1Cc1ccc(Cl)cc1 ZINC000010119154 569342999 /nfs/dbraw/zinc/34/29/99/569342999.db2.gz GSFCZHJYVSGIIK-RWPZCVJISA-N 0 0 422.359 6.429 40 30 HKEBRN Cc1c(/C=N/NCc2ccc(Cl)cc2)c2ccccc2n1Cc1ccccc1C#N ZINC000010119158 569342980 /nfs/dbraw/zinc/34/29/80/569342980.db2.gz WHSKJEADIVAIMS-MUFRIFMGSA-N 0 0 412.924 5.647 40 30 HKEBRN Cc1c(/C=N/NCc2ccc(Cl)cc2)c2ccccc2n1Cc1ccc(C)cc1 ZINC000010119159 569342975 /nfs/dbraw/zinc/34/29/75/569342975.db2.gz UELFPMMXQWBQLQ-LQKURTRISA-N 0 0 401.941 6.084 40 30 HKEBRN Cc1c(/C=N/NCc2ccc(Cl)cc2)c2ccccc2n1Cc1ccccc1C ZINC000010119160 569342957 /nfs/dbraw/zinc/34/29/57/569342957.db2.gz BFJIKRFVFAKYPT-LQKURTRISA-N 0 0 401.941 6.084 40 30 HKEBRN Cc1c(/C=N/NCc2ccc(Cl)cc2)c2ccccc2n1Cc1ccc(C#N)cc1 ZINC000010119161 569342966 /nfs/dbraw/zinc/34/29/66/569342966.db2.gz DGCKGKPVDDKIOB-MUFRIFMGSA-N 0 0 412.924 5.647 40 30 HKEBRN Cc1c(/C=N/NCc2ccc(Cl)cc2)c2ccccc2n1Cc1cccc(C#N)c1 ZINC000010119162 569342973 /nfs/dbraw/zinc/34/29/73/569342973.db2.gz XEQKWLNXKYMQQN-MUFRIFMGSA-N 0 0 412.924 5.647 40 30 HKEBRN C[C@@H]1CCc2c(C#N)c(NC(=O)C3(c4ccc([N+](=O)[O-])cc4)CCCC3)sc2C1 ZINC000010372898 569395852 /nfs/dbraw/zinc/39/58/52/569395852.db2.gz YIPCXKWDSJYPIQ-CQSZACIVSA-N 0 0 409.511 5.103 40 30 HKEBRN C[C@H]1CCc2c(C#N)c(NC(=O)C3(c4ccc([N+](=O)[O-])cc4)CCCC3)sc2C1 ZINC000010372899 569395904 /nfs/dbraw/zinc/39/59/04/569395904.db2.gz YIPCXKWDSJYPIQ-AWEZNQCLSA-N 0 0 409.511 5.103 40 30 HKEBRN C=CCNC(=O)c1ccccc1NC(=O)c1ccccc1SCc1ccccc1 ZINC000010434022 569344367 /nfs/dbraw/zinc/34/43/67/569344367.db2.gz NKFUSCIZVVDSSS-UHFFFAOYSA-N 0 0 402.519 5.147 40 30 HKEBRN C=CCn1c(-c2ccc(Br)cc2)cs/c1=N\c1cccc2ccccc21 ZINC000011617231 569398695 /nfs/dbraw/zinc/39/86/95/569398695.db2.gz SSGFJPXUOWTRHW-GYHWCHFESA-N 0 0 421.363 6.551 40 30 HKEBRN Cc1ccc(COc2ccc(CN=Nc3nc(-c4ccc(C)cc4)cs3)cc2)cc1 ZINC000011992147 571308181 /nfs/dbraw/zinc/30/81/81/571308181.db2.gz FSDYRGXVQNQUNN-CVKSISIWSA-N 0 0 413.546 6.452 40 30 HKEBRN CCCCCCOc1ccccc1CN=Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000011992771 560776315 /nfs/dbraw/zinc/77/63/15/560776315.db2.gz VDIWYJRWTKLDAP-BUVRLJJBSA-N 0 0 413.974 6.869 40 30 HKEBRN Fc1ccccc1COc1ccc(CN=Nc2nc(-c3ccccc3)cs2)cc1 ZINC000011992913 560776444 /nfs/dbraw/zinc/77/64/44/560776444.db2.gz MHUCUSLDAOFDKQ-AFUMVMLFSA-N 0 0 403.482 5.974 40 30 HKEBRN O=C1N/C(=N/c2cccc3ccccc32)S/C1=C\c1cccc(Br)c1 ZINC000012032550 558311409 /nfs/dbraw/zinc/31/14/09/558311409.db2.gz YVTCMHNJVAQEOC-PDGQHHTCSA-N 0 0 409.308 5.494 40 30 HKEBRN O=C1N/C(=N/c2cccc3ccccc32)S/C1=C\c1ccc(Br)cc1 ZINC000012032551 527041773 /nfs/dbraw/zinc/04/17/73/527041773.db2.gz KYPNGYSNEKASBN-PDGQHHTCSA-N 0 0 409.308 5.494 40 30 HKEBRN CC(/C=N/N1C(=O)/C(=C/C(C)=C/c2ccccc2)SC1=S)=C\c1ccccc1 ZINC000012032595 558311519 /nfs/dbraw/zinc/31/15/19/558311519.db2.gz PHRKHKJYERALAP-DBVSYKBRSA-N 0 0 404.560 5.923 40 30 HKEBRN COc1c(Cl)cc(Cl)cc1CN=Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000012039729 521835154 /nfs/dbraw/zinc/83/51/54/521835154.db2.gz ZZTMSYBAYNYCBZ-ODCIPOBUSA-N 0 0 412.729 6.225 40 30 HKEBRN COc1c(Cl)cc(Cl)cc1CN=Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000012039735 521836226 /nfs/dbraw/zinc/83/62/26/521836226.db2.gz QYXXGSFTXSZJGS-DNTJNYDQSA-N 0 0 423.281 5.480 40 30 HKEBRN COc1cc(CN=Nc2nc(C)cs2)ccc1OCc1ccc(Cl)cc1Cl ZINC000012123178 569362202 /nfs/dbraw/zinc/36/22/02/569362202.db2.gz WEOLDZSXMVIHLX-LSFURLLWSA-N 0 0 422.337 5.792 40 30 HKEBRN CCOc1cc(CN=Nc2nc(C)cs2)ccc1OCc1ccccc1Cl ZINC000012129369 569362250 /nfs/dbraw/zinc/36/22/50/569362250.db2.gz QXNAKQWCGYJUAL-SSDVNMTOSA-N 0 0 401.919 5.529 40 30 HKEBRN COc1cc(CN=Nc2nc(C)cs2)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000012131372 569362272 /nfs/dbraw/zinc/36/22/72/569362272.db2.gz SLTGOXPLBCWJFS-LSFURLLWSA-N 0 0 422.337 5.792 40 30 HKEBRN Cc1oc2ccc(O)cc2c1C(=O)/C=C/c1ccc(-c2ccc(Br)cc2)o1 ZINC000012195212 558349145 /nfs/dbraw/zinc/34/91/45/558349145.db2.gz UHXUCDCZSZIMPJ-VQHVLOKHSA-N 0 0 423.262 6.365 40 30 HKEBRN CN1c2ccccc2SC1=Cc1ccc(C#N)c2sc(-c3ccccc3)c([O-])[n+]21 ZINC000012249836 569399840 /nfs/dbraw/zinc/39/98/40/569399840.db2.gz BUIJDKQQMYNYLI-UHFFFAOYSA-O 0 0 414.535 5.272 40 30 HKEBRN O=C1N/C(=N/c2cc(C(F)(F)F)ccc2Cl)S/C1=C/c1c[nH]c2ccccc12 ZINC000012278533 558364719 /nfs/dbraw/zinc/36/47/19/558364719.db2.gz GJXLSNDEOWXCCC-FRKPEAEDSA-N 0 0 421.831 5.732 40 30 HKEBRN O=C1N/C(=N/c2ccc(Cl)cc2C(F)(F)F)S/C1=C/c1c[nH]c2ccccc12 ZINC000012278534 558364698 /nfs/dbraw/zinc/36/46/98/558364698.db2.gz SVRVDHVZFLLKCN-FRKPEAEDSA-N 0 0 421.831 5.732 40 30 HKEBRN O=C1N/C(=N/c2cccc(Cl)c2Cl)S/C1=C/c1ccc(Br)o1 ZINC000012278547 558364729 /nfs/dbraw/zinc/36/47/29/558364729.db2.gz AISUTIQIZDRZBK-UXBLZVDNSA-N 0 0 418.099 5.241 40 30 HKEBRN O=C1N/C(=N/c2ccc(Cl)cc2Cl)S/C1=C/c1ccc(Br)o1 ZINC000012278549 527042140 /nfs/dbraw/zinc/04/21/40/527042140.db2.gz YVKYSRUNKVGFSA-IZZDOVSWSA-N 0 0 418.099 5.241 40 30 HKEBRN O=C1N/C(=N/c2ccc(Cl)c(Cl)c2)S/C1=C/c1ccc(Br)o1 ZINC000012278552 558364701 /nfs/dbraw/zinc/36/47/01/558364701.db2.gz UEBLJTPPJMZZHQ-IZZDOVSWSA-N 0 0 418.099 5.241 40 30 HKEBRN N#Cc1c(NC(=O)c2ccc3c(c2)OCO3)oc(-c2ccccc2)c1-c1ccccc1 ZINC000012294932 569344799 /nfs/dbraw/zinc/34/47/99/569344799.db2.gz QPKLBDSVDHEIPV-UHFFFAOYSA-N 0 0 408.413 5.466 40 30 HKEBRN O=C(/N=C1\c2ccccc2CN1c1cc(Cl)cc(Cl)c1)c1ccc(Cl)nc1 ZINC000012311475 527662404 /nfs/dbraw/zinc/66/24/04/527662404.db2.gz KCVGWOUTZSJRLV-NCELDCMTSA-N 0 0 416.695 5.649 40 30 HKEBRN O=C1/C(=C\c2ccc(Cl)c(Cl)c2)CCC/C1=C/c1ccc(Cl)c(Cl)c1 ZINC000012339618 558385983 /nfs/dbraw/zinc/38/59/83/558385983.db2.gz KGCULKJZSULNHU-SFGFDRCGSA-N 0 0 412.143 7.520 40 30 HKEBRN N#Cc1ccc([C@@H]2Nc3ccc4ccccc4c3-c3c4ccccc4oc(=O)c32)cc1 ZINC000012360349 291298379 /nfs/dbraw/zinc/29/83/79/291298379.db2.gz IEDLVJXBSJZNAW-SANMLTNESA-N 0 0 400.437 6.000 40 30 HKEBRN N#Cc1ccc([C@H]2Nc3ccc4ccccc4c3-c3c4ccccc4oc(=O)c32)cc1 ZINC000012360350 291298395 /nfs/dbraw/zinc/29/83/95/291298395.db2.gz IEDLVJXBSJZNAW-AREMUKBSSA-N 0 0 400.437 6.000 40 30 HKEBRN CC(C)(C)Oc1ccc(/C=C2\COC/C(=C/c3ccc(OC(C)(C)C)cc3)C2=O)cc1 ZINC000012364996 569400421 /nfs/dbraw/zinc/40/04/21/569400421.db2.gz LTXSTOFXPOZDAW-KBNZVFGVSA-N 0 0 420.549 6.108 40 30 HKEBRN CN=C1/C(=C\c2ccc(C(C)(C)C)cc2)COC/C1=C\c1ccc(C(C)(C)C)cc1 ZINC000012365008 569400435 /nfs/dbraw/zinc/40/04/35/569400435.db2.gz XHUOKONXVVPXDU-FFIYMUHYSA-N 0 0 401.594 6.850 40 30 HKEBRN C(=N\N=C/c1cccc(OCc2ccccc2)c1)\c1cccc(OCc2ccccc2)c1 ZINC000012368478 558388715 /nfs/dbraw/zinc/38/87/15/558388715.db2.gz LOCPRVUHECBZFB-NAZWXXJZSA-N 0 0 420.512 6.298 40 30 HKEBRN C(=N/N=C\c1cccc(OCc2ccccc2)c1)\c1cccc(OCc2ccccc2)c1 ZINC000012368480 518375980 /nfs/dbraw/zinc/37/59/80/518375980.db2.gz LOCPRVUHECBZFB-GOLAWLNDSA-N 0 0 420.512 6.298 40 30 HKEBRN CC(C)(C)c1cc(/C=N\N2CCN(Cc3ccccc3)CC2)cc(C(C)(C)C)c1O ZINC000012381545 558393608 /nfs/dbraw/zinc/39/36/08/558393608.db2.gz VIOOPISOHRCVKI-IMRQLAEWSA-N 0 0 407.602 5.139 40 30 HKEBRN CC(C)(C)c1ccc(C2N=NC(=S)N2N=Cc2c(O)ccc3ccccc32)cc1 ZINC000012381753 558393649 /nfs/dbraw/zinc/39/36/49/558393649.db2.gz SUBSPGYBIRDWDZ-OYKKKHCWSA-N 0 0 402.523 5.272 40 30 HKEBRN COc1cc2c3c(c1)C(C)=CC(C)(C)N3C(=O)/C2=N\c1ccc(Cl)c(Cl)c1 ZINC000012406281 558397984 /nfs/dbraw/zinc/39/79/84/558397984.db2.gz CAVFRIFJIAYEGR-MOHJPFBDSA-N 0 0 401.293 5.665 40 30 HKEBRN COc1ccc(/N=C2/c3cccc4c3N(C2=O)C(C)(C)C[C@@]4(C)c2ccccc2)cc1 ZINC000012406320 558398043 /nfs/dbraw/zinc/39/80/43/558398043.db2.gz HBVAGNDQLFFJLE-FXLQNTOASA-N 0 0 410.517 5.651 40 30 HKEBRN CC1(C)C[C@@](C)(c2ccc(Cl)cc2)c2cccc3c2N1C(=O)/C3=N\c1ccccc1 ZINC000012406340 558398040 /nfs/dbraw/zinc/39/80/40/558398040.db2.gz GXPVENMMDSUEJS-BRJUGNFPSA-N 0 0 414.936 6.296 40 30 HKEBRN CC1(C)C[C@](C)(c2ccc(Cl)cc2)c2cccc3c2N1C(=O)/C3=N\c1ccccc1 ZINC000012406341 558397987 /nfs/dbraw/zinc/39/79/87/558397987.db2.gz GXPVENMMDSUEJS-CPXQOTMNSA-N 0 0 414.936 6.296 40 30 HKEBRN CCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N\c1ccc2ncccc2c1 ZINC000012412069 560780588 /nfs/dbraw/zinc/78/05/88/560780588.db2.gz XOMITWDDBSHNNB-YJOHERITSA-N 0 0 418.547 5.229 40 30 HKEBRN COc1cc(Br)c(C(=O)/C=C/c2ccc(Cl)cc2Cl)cc1OC ZINC000012418139 559286612 /nfs/dbraw/zinc/28/66/12/559286612.db2.gz YLYMBUDVUKQMEV-GQCTYLIASA-N 0 0 416.098 5.669 40 30 HKEBRN Cc1ccc(-c2cc(-c3ccc(Cl)cc3)nc(/N=C3/c4ccccc4NC3=O)n2)cc1 ZINC000012461958 525714789 /nfs/dbraw/zinc/71/47/89/525714789.db2.gz SKONOXXPWHDJBQ-UHFFFAOYSA-N 0 0 424.891 5.845 40 30 HKEBRN S=C1N=NC(c2ccc(Cl)cc2Cl)N1N=Cc1ccc(Cl)c(Cl)c1 ZINC000012464587 569401553 /nfs/dbraw/zinc/40/15/53/569401553.db2.gz FSYBTMRFJHXAIQ-SCDVKCJHSA-N 0 0 418.136 5.730 40 30 HKEBRN S=C1N=NC(c2ccc(Cl)cc2Cl)N1N=Cc1cccc(Cl)c1Cl ZINC000012467078 569401619 /nfs/dbraw/zinc/40/16/19/569401619.db2.gz FLLUVGJIVYQTKS-SCDVKCJHSA-N 0 0 418.136 5.730 40 30 HKEBRN Fc1cccc(Cl)c1C=NN1C(=S)N=NC1c1ccc(Cl)cc1Cl ZINC000012467756 558420658 /nfs/dbraw/zinc/42/06/58/558420658.db2.gz DBWDNJBUJUECQN-SCDVKCJHSA-N 0 0 401.681 5.215 40 30 HKEBRN C=C1/C(=C/C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O)C[C@@H](O)C[C@@H]1O ZINC000012484901 569061520 /nfs/dbraw/zinc/06/15/20/569061520.db2.gz GMRQFYUYWCNGIN-UNVJKIGWSA-N 0 0 416.646 5.705 40 30 in-vivo HKEBRN C=C1CC[C@@H](O)C/C1=C/C=C1\CCC[C@]2(C)[C@@H]([C@H](C)CCCC(C)(C)O)CC[C@H]12 ZINC000012484919 568994967 /nfs/dbraw/zinc/99/49/67/568994967.db2.gz JWUBBDSIWDLEOM-OSIOTJDJSA-N 0 0 400.647 6.734 40 30 world HKEBRN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(=O)C=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000012494006 569401638 /nfs/dbraw/zinc/40/16/38/569401638.db2.gz YIKKMWSQVKJCOP-YXRAZXNKSA-N 0 0 400.647 6.568 40 30 endogenous,in-man HKEBRN CCn1c(-c2ccccc2)cnc1SCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000012497836 569401629 /nfs/dbraw/zinc/40/16/29/569401629.db2.gz ZBWHAGMELCUFJM-UHFFFAOYSA-N 0 0 422.579 5.113 40 30 HKEBRN O=[N+]([O-])c1ccc(-c2ccc(CN=Nc3ncc(C(F)(F)F)cc3Cl)o2)cc1 ZINC000012533642 527340597 /nfs/dbraw/zinc/34/05/97/527340597.db2.gz ZSVBBHWNGHXFMG-NUGSKGIGSA-N 0 0 410.739 5.368 40 30 HKEBRN Cc1cc(C=NNc2nc3ccccc3n2C)c(C)n1-c1ccc(Br)cc1 ZINC000012550899 526096226 /nfs/dbraw/zinc/09/62/26/526096226.db2.gz RGAVJCZXDDCYBS-YDZHTSKRSA-N 0 0 422.330 5.189 40 30 HKEBRN Cc1cc(CN=Nc2nc(C)cc(C)n2)c(C)n1-c1cc(C(F)(F)F)ccc1Cl ZINC000012559136 560781794 /nfs/dbraw/zinc/78/17/94/560781794.db2.gz GHZIUMZFDOWZLE-KIBLKLHPSA-N 0 0 421.854 5.619 40 30 HKEBRN C=CCn1c(-c2ccc(Cl)cc2Cl)csc1=Nc1ccc(C(C)=O)cc1 ZINC000012561960 569042983 /nfs/dbraw/zinc/04/29/83/569042983.db2.gz YQTDTWWSGNBYCD-ATJXCDBQSA-N 0 0 403.334 6.144 40 30 HKEBRN COc1cc(C=NNc2ccnc3cc(Cl)ccc32)ccc1OCc1ccccc1 ZINC000012562629 560781822 /nfs/dbraw/zinc/78/18/22/560781822.db2.gz KTPQROYEYRBGNU-JFLMPSFJSA-N 0 0 417.896 5.922 40 30 HKEBRN O=C(/N=C1\c2ccccc2CN1c1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1 ZINC000012569723 527662641 /nfs/dbraw/zinc/66/26/41/527662641.db2.gz HXJNRDDKDWHQRN-NHFJDJAPSA-N 0 0 414.814 5.966 40 30 HKEBRN Clc1ccc2c(c1)nccc2NN=Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000012570695 526967400 /nfs/dbraw/zinc/96/74/00/526967400.db2.gz FGCPNGNJSNPOIF-LQKURTRISA-N 0 0 423.907 6.187 40 30 HKEBRN C/C(=N\N=c1/scc(-c2ccccc2)n1Cc1ccco1)c1ccc2ccccc2c1 ZINC000012570820 569402030 /nfs/dbraw/zinc/40/20/30/569402030.db2.gz NLQUWGUKYQNUHM-FUZGGDMFSA-N 0 0 423.541 6.336 40 30 HKEBRN Cc1nn(-c2ccccc2)c(Cl)c1C=NNc1cc(C(F)(F)F)ccc1Cl ZINC000012573762 527547385 /nfs/dbraw/zinc/54/73/85/527547385.db2.gz WCIGSQZGIOVIAE-YSURURNPSA-N 0 0 413.230 5.952 40 30 HKEBRN C/C(=N\NC(=S)Nc1ccc(Cl)cc1Cl)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000012599412 569401968 /nfs/dbraw/zinc/40/19/68/569401968.db2.gz ZFWCBHLCUTWKET-DNTJNYDQSA-N 0 0 417.705 5.266 40 30 HKEBRN Fc1ccc(NN=Cc2cn(-c3ccccc3)nc2-c2ccc(OC(F)F)cc2)cc1 ZINC000012599474 560782882 /nfs/dbraw/zinc/78/28/82/560782882.db2.gz MKDMVZTZEALAPQ-MZJWZYIUSA-N 0 0 422.410 5.726 40 30 HKEBRN N#Cc1ccc(N2Cc3ccccc3/C2=N\C(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000012599991 569402054 /nfs/dbraw/zinc/40/20/54/569402054.db2.gz XFSQPXVGHSTGBW-YYADALCUSA-N 0 0 406.272 5.472 40 30 HKEBRN Cc1cccc(/N=c2\scc(-c3ccc(F)cc3)n2/N=C/c2ccc(F)cc2)c1C ZINC000012601319 524156357 /nfs/dbraw/zinc/15/63/57/524156357.db2.gz AMCFOVDHYZUZLY-QKKHUYDQSA-N 0 0 419.500 6.226 40 30 HKEBRN C/N=c1\scc(-c2ccc(F)cc2)n1/N=C/c1cccc(Oc2ccccc2)c1 ZINC000012601905 569402079 /nfs/dbraw/zinc/40/20/79/569402079.db2.gz FLTZVRDYCNRTJS-KEUFMJMZSA-N 0 0 403.482 5.561 40 30 HKEBRN C=CC/N=c1\scc(-c2cccc(Br)c2)n1/N=C/c1cccs1 ZINC000012603039 569402096 /nfs/dbraw/zinc/40/20/96/569402096.db2.gz SYLMNIJZPNGWTA-MXPDZRDSSA-N 0 0 404.358 5.010 40 30 HKEBRN C/N=c1\scc(-c2cccc(Br)c2)n1/N=C/c1cc(C)ccc1C ZINC000012603361 569402106 /nfs/dbraw/zinc/40/21/06/569402106.db2.gz XQROLLPMFWAQNX-YQGQAXFOSA-N 0 0 400.345 5.009 40 30 HKEBRN C/N=c1\scc(-c2cccc(Br)c2)n1/N=C/c1ccc(C)cc1C ZINC000012603441 569402093 /nfs/dbraw/zinc/40/20/93/569402093.db2.gz DVUQUBUYNQUFSP-YQGQAXFOSA-N 0 0 400.345 5.009 40 30 HKEBRN Cc1cccc(/N=c2\scc(-c3ccc(Cl)cc3)n2/N=C/c2cccc(F)c2)c1 ZINC000012632509 524155818 /nfs/dbraw/zinc/15/58/18/524155818.db2.gz RRANPIRAGKJYQQ-YHMUTHJVSA-N 0 0 421.928 6.432 40 30 HKEBRN O=[N+]([O-])c1ccc(-c2ccc(CN=Nc3ccc(C(F)(F)F)cc3[N+](=O)[O-])o2)cc1 ZINC000012650719 560784049 /nfs/dbraw/zinc/78/40/49/560784049.db2.gz SKTNRORUOKHXMG-LSHDLFTRSA-N 0 0 420.303 5.228 40 30 HKEBRN CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC=C(C(=O)c5ccccc5)[C@@]4(C)CC[C@@H]32)C1 ZINC000012652565 519757045 /nfs/dbraw/zinc/75/70/45/519757045.db2.gz GUHOJWMKULSAET-LMHMIWLSSA-N 0 0 418.577 6.300 40 30 HKEBRN CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC=C(C(=O)c5ccccc5)[C@@]4(C)CC[C@@H]32)C1 ZINC000012652569 519757802 /nfs/dbraw/zinc/75/78/02/519757802.db2.gz GUHOJWMKULSAET-YPZLOKHQSA-N 0 0 418.577 6.300 40 30 HKEBRN C=C1CC[C@H]2C(C)(C)CCC[C@@]2(C)[C@@H]1CC/C(C)=C\CC/C(C)=N/NC(N)=S ZINC000012654082 518665069 /nfs/dbraw/zinc/66/50/69/518665069.db2.gz RYZOQJGBGALJTK-FBKSUXFZSA-N 0 0 403.680 6.501 40 30 HKEBRN C=C1CC[C@H]2C(C)(C)CCC[C@@]2(C)[C@H]1CC/C(C)=C\CC/C(C)=N/NC(N)=S ZINC000012654087 560784168 /nfs/dbraw/zinc/78/41/68/560784168.db2.gz RYZOQJGBGALJTK-LAEUHMPSSA-N 0 0 403.680 6.501 40 30 HKEBRN Cc1nn(-c2ccc(F)cc2)c(Cl)c1C=NNc1ccnc2cc(Cl)ccc21 ZINC000012654866 560784150 /nfs/dbraw/zinc/78/41/50/560784150.db2.gz PNCLOCCGWGEWOW-OPEKNORGSA-N 0 0 414.271 5.621 40 30 HKEBRN C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC/C2=N\N=C\c1ccc(F)cc1 ZINC000012873751 560787993 /nfs/dbraw/zinc/78/79/93/560787993.db2.gz AMLPMOKTYSXKFI-VHXITHSOSA-N 0 0 408.561 5.924 40 30 HKEBRN Fc1ccc(/C=N/N=c2\scc(-c3ccc(Cl)cc3)n2-c2ccccc2)cc1 ZINC000012936257 569405027 /nfs/dbraw/zinc/40/50/27/569405027.db2.gz LOMOIMCHDBFEEE-IRESZABISA-N 0 0 407.901 5.933 40 30 HKEBRN Clc1ccc(COc2ccc(C=NNc3nc4ccccc4[nH]3)cc2)c(Cl)c1 ZINC000012967319 569344823 /nfs/dbraw/zinc/34/48/23/569344823.db2.gz YVHCMTAANUMOFS-WYMPLXKRSA-N 0 0 411.292 5.895 40 30 HKEBRN C=CCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2C)S/C1=N\c1ccc(C)cc1 ZINC000013059488 560793061 /nfs/dbraw/zinc/79/30/61/560793061.db2.gz VRNXYHJCUGFILR-BEIQUOEZSA-N 0 0 423.563 5.164 40 30 HKEBRN C=CCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2C)S/C1=N\c1cccc(C)c1 ZINC000013080560 560792578 /nfs/dbraw/zinc/79/25/78/560792578.db2.gz HHFUNTOAGFEKCD-BEIQUOEZSA-N 0 0 423.563 5.164 40 30 HKEBRN C/C(=N\NC(=S)Nc1ccc(SC(F)F)cc1)c1cccc(C(F)(F)F)c1 ZINC000013098463 569409007 /nfs/dbraw/zinc/40/90/07/569409007.db2.gz BIVRLMOXLNFRKI-YSURURNPSA-N 0 0 419.444 5.731 40 30 HKEBRN Clc1ccc(-c2ccc(/C=N/c3ccc(N4CCOCC4)cc3)o2)c(Cl)c1 ZINC000013108124 132454094 /nfs/dbraw/zinc/45/40/94/132454094.db2.gz XBRPAYKTIZZVTN-ZVHZXABRSA-N 0 0 401.293 5.841 40 30 HKEBRN Clc1cccc(-c2ccc(/C=N\c3ccc(N4CCOCC4)cc3)o2)c1Cl ZINC000013108248 526971590 /nfs/dbraw/zinc/97/15/90/526971590.db2.gz UGAXFBRRNXWQOZ-OYKKKHCWSA-N 0 0 401.293 5.841 40 30 HKEBRN Brc1ccc(-c2ccc(CN=Nc3nncc(-c4ccccc4)n3)o2)cc1 ZINC000013118459 558516726 /nfs/dbraw/zinc/51/67/26/558516726.db2.gz DBUQZVHPKVUDQN-UUYOSTAYSA-N 0 0 420.270 5.007 40 30 HKEBRN Cc1ccc2nc(C(Cl)(Cl)Cl)nc(N=NCc3ccc([N+](=O)[O-])cc3)c2c1 ZINC000013132857 569211513 /nfs/dbraw/zinc/21/15/13/569211513.db2.gz NPHCOEHFXGNYFQ-ZVBGSRNCSA-N 0 0 424.675 5.119 40 30 HKEBRN C=Cc1c(C#N)nc(C)c(C)c1-c1ccc(OC)c(OC)c1OCc1ccccc1 ZINC000013212873 569030523 /nfs/dbraw/zinc/03/05/23/569030523.db2.gz QQLCKMALYNOMJK-UHFFFAOYSA-N 0 0 400.478 5.476 40 30 HKEBRN O=C(Nc1ccc(Cl)cc1)N1CCCCC/C1=N\c1ccc(Br)cc1 ZINC000013302352 569410664 /nfs/dbraw/zinc/41/06/64/569410664.db2.gz DTGFUEZJGQAXDJ-RELWKKBWSA-N 0 0 420.738 6.241 40 30 HKEBRN COc1ccc(CN=Nc2nc(-c3ccccc3)cc(-c3ccc(Cl)cc3)n2)cc1 ZINC000013303322 523446920 /nfs/dbraw/zinc/44/69/20/523446920.db2.gz GWZAMKMNJBNMTJ-WGOQTCKBSA-N 0 0 414.896 5.919 40 30 HKEBRN CC(N=Nc1nc(-c2ccccc2)cc(-c2ccc(Cl)cc2)n1)c1ccc(F)cc1 ZINC000013303334 560805857 /nfs/dbraw/zinc/80/58/57/560805857.db2.gz DMVDDXFIFIBCFN-MUFRIFMGSA-N 0 0 416.887 6.439 40 30 HKEBRN COc1ccc(CN=Nc2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1OC ZINC000013303698 560805808 /nfs/dbraw/zinc/80/58/08/560805808.db2.gz ACQPZYXOPJZGSE-YZSQISJMSA-N 0 0 410.477 5.274 40 30 HKEBRN CCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N\c1ccc2ccccc2c1 ZINC000013303876 560805824 /nfs/dbraw/zinc/80/58/24/560805824.db2.gz VOJNJIVKGMUYCV-ZMPCKTLKSA-N 0 0 417.559 5.834 40 30 HKEBRN CCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N\c1ccccc1Cl ZINC000013303887 560805844 /nfs/dbraw/zinc/80/58/44/560805844.db2.gz FJSPAVSJKADOCV-HSHHTGOPSA-N 0 0 401.944 5.334 40 30 HKEBRN CCCCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N\c1ccccc1C ZINC000013303947 560805852 /nfs/dbraw/zinc/80/58/52/560805852.db2.gz LWGZOOXLTSMQRV-BEIQUOEZSA-N 0 0 409.580 5.769 40 30 HKEBRN O=[N+]([O-])c1ccc(/C=N/c2ccc(C3c4ccccc4Sc4ccccc43)cc2)cc1 ZINC000013305737 527346062 /nfs/dbraw/zinc/34/60/62/527346062.db2.gz MCVQCSTXUWMIOF-WPWMEQJKSA-N 0 0 422.509 6.990 40 30 HKEBRN CCCCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N\c1cc(C)ccc1C ZINC000013306278 560804656 /nfs/dbraw/zinc/80/46/56/560804656.db2.gz AZRNEEIGYHWQIC-ZMPCKTLKSA-N 0 0 423.607 6.078 40 30 HKEBRN c1ccc2c(c1)ccc(Cc1ccc3ccccc3c1OC[C@@H]1CO1)c2OC[C@H]1CO1 ZINC000013372545 560806040 /nfs/dbraw/zinc/80/60/40/560806040.db2.gz OCTGJOAYIZMTFA-ZRZAMGCNSA-N 0 0 412.485 5.139 40 30 HKEBRN O[C@@H](Cc1ccccc1)C(Cc1ccccc1)N=Nc1ccc(Br)cc1 ZINC000013402498 527664334 /nfs/dbraw/zinc/66/43/34/527664334.db2.gz OQKJETUUXLFLIA-JSIHEXFSSA-N 0 0 409.327 5.063 40 30 HKEBRN O[C@H](Cc1ccccc1)C(Cc1ccccc1)N=Nc1ccc(Br)cc1 ZINC000013402503 526296087 /nfs/dbraw/zinc/29/60/87/526296087.db2.gz OQKJETUUXLFLIA-CKVBZJJFSA-N 0 0 409.327 5.063 40 30 HKEBRN c1ccc(CC(N=Nc2ccccc2)=C(Cc2ccccc2)NNc2ccccc2)cc1 ZINC000013402530 558531550 /nfs/dbraw/zinc/53/15/50/558531550.db2.gz KIVQHQYEIKVWGY-YDWWYXFJSA-N 0 0 418.544 6.408 40 30 HKEBRN N#Cc1ccc(/C=C\c2ccc(/C=C\c3ccc(C#N)cc3[N+](=O)[O-])cc2)c([N+](=O)[O-])c1 ZINC000013403123 569413235 /nfs/dbraw/zinc/41/32/35/569413235.db2.gz OMBKGCHLHBHHMG-OZDSWYPASA-N 0 0 422.400 5.587 40 30 HKEBRN N#Cc1ccc(/C=C/c2ccc(/C=C\c3ccc(C#N)cc3[N+](=O)[O-])cc2)c([N+](=O)[O-])c1 ZINC000013403130 569413326 /nfs/dbraw/zinc/41/33/26/569413326.db2.gz OMBKGCHLHBHHMG-VTBWALSUSA-N 0 0 422.400 5.587 40 30 HKEBRN N#Cc1ccc(/C=C/c2ccc(/C=C/c3ccc(C#N)cc3[N+](=O)[O-])cc2)c([N+](=O)[O-])c1 ZINC000013403134 569413340 /nfs/dbraw/zinc/41/33/40/569413340.db2.gz OMBKGCHLHBHHMG-NXZHAISVSA-N 0 0 422.400 5.587 40 30 HKEBRN N#Cc1ccc(/C=C\c2cccc(/C=C\c3ccc(C#N)cc3[N+](=O)[O-])c2)c([N+](=O)[O-])c1 ZINC000013403151 569413333 /nfs/dbraw/zinc/41/33/33/569413333.db2.gz MNLZMTAAZOKFIN-XEQVNJCQSA-N 0 0 422.400 5.587 40 30 HKEBRN N#Cc1ccc(/C=C/c2cccc(/C=C/c3ccc(C#N)cc3[N+](=O)[O-])c2)c([N+](=O)[O-])c1 ZINC000013403163 569413318 /nfs/dbraw/zinc/41/33/18/569413318.db2.gz MNLZMTAAZOKFIN-KBXRYBNXSA-N 0 0 422.400 5.587 40 30 HKEBRN COc1ccc(C(CC2CCCCC2)N=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000013403410 558531673 /nfs/dbraw/zinc/53/16/73/558531673.db2.gz UDHHWAFTLWITPN-ATJXCDBQSA-N 0 0 412.446 5.298 40 30 HKEBRN CN(C)c1ccc(/N=C(/C#N)c2cccc(/C(C#N)=N/c3ccc(N(C)C)cc3)c2)cc1 ZINC000013403446 522138831 /nfs/dbraw/zinc/13/88/31/522138831.db2.gz MENPARZFJLXAQL-ZUSIYWPSSA-N 0 0 420.520 5.107 40 30 HKEBRN CC1(C)[C@H]2CC[C@]1(C)C(=O)/C2=C\N(OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000013403922 520682794 /nfs/dbraw/zinc/68/27/94/520682794.db2.gz MCCHTMOHYJPGQT-MNWSPLHSSA-N 0 0 420.465 5.082 40 30 HKEBRN CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000013407564 519648635 /nfs/dbraw/zinc/64/86/35/519648635.db2.gz VUCDSTCRVYGRSG-OIGQCZOKSA-N 0 0 400.647 6.568 40 30 HKEBRN C/C(=C\C(C)=N\NS(=O)(=O)c1ccc(C)cc1)c1ccc(-c2ccccc2)cc1 ZINC000013407669 558531962 /nfs/dbraw/zinc/53/19/62/558531962.db2.gz KUZSGNNJPFTMBN-JNUFNPOGSA-N 0 0 404.535 5.420 40 30 HKEBRN CC(=CC(C)c1ccc(-c2ccccc2)cc1)N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000013407708 558531990 /nfs/dbraw/zinc/53/19/90/558531990.db2.gz TYWYLEHJUMGPDQ-FMZICQFTSA-N 0 0 416.437 6.061 40 30 HKEBRN CC(=CC(C)c1ccc(-c2ccccc2)cc1)N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000013407713 558531870 /nfs/dbraw/zinc/53/18/70/558531870.db2.gz TYWYLEHJUMGPDQ-VQYBOMLGSA-N 0 0 416.437 6.061 40 30 HKEBRN N#CC(=NNc1ccc(Cl)cc1Cl)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000013408225 526428132 /nfs/dbraw/zinc/42/81/32/526428132.db2.gz RXCYKJMORDSJLD-IWIPYMOSSA-N 0 0 407.713 6.110 40 30 HKEBRN C=C[C@]1(OC(C)=O)CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@@H](CCC45OCCO5)[C@@H]3CC[C@H]2C1 ZINC000013408682 569357021 /nfs/dbraw/zinc/35/70/21/569357021.db2.gz KOBCGCROWPFVMN-LIDUXKKMSA-N 0 0 402.575 5.260 40 30 HKEBRN C=C[C@]1(OC(C)=O)CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC5(OCCO5)[C@@]4(C)CC[C@@H]32)C1 ZINC000013408691 519305331 /nfs/dbraw/zinc/30/53/31/519305331.db2.gz KOBCGCROWPFVMN-IWMXCVPLSA-N 0 0 402.575 5.260 40 30 HKEBRN C=C[C@@]1(OC(C)=O)CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC5(OCCO5)[C@@]4(C)CC[C@@H]32)C1 ZINC000013408694 568998964 /nfs/dbraw/zinc/99/89/64/568998964.db2.gz KOBCGCROWPFVMN-DAVSBLIESA-N 0 0 402.575 5.260 40 30 HKEBRN C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C=CC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000013423811 560216581 /nfs/dbraw/zinc/21/65/81/560216581.db2.gz FWBYBHVDDGVPDF-BHMAJAPKSA-N 0 0 422.697 8.009 40 30 biogenic,in-vitro HKEBRN C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O[C@H]5CCCCO5)CC[C@@]43C)[C@@H]1CC[C@@H]2CC=O ZINC000013423844 558532075 /nfs/dbraw/zinc/53/20/75/558532075.db2.gz CZNBRGKOCBBHEM-URTRFJDQSA-N 0 0 402.619 6.146 40 30 biogenic,in-vitro HKEBRN C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O[C@H]5CCCCO5)CC[C@@]43C)[C@@H]1CC[C@@H]2CC=O ZINC000013423845 558532162 /nfs/dbraw/zinc/53/21/62/558532162.db2.gz CZNBRGKOCBBHEM-CFKJIUMDSA-N 0 0 402.619 6.146 40 30 biogenic,in-vitro HKEBRN CC(N=Nc1nc(-c2ccc(Br)cc2)cs1)c1ccc([N+](=O)[O-])cc1 ZINC000013427208 571304488 /nfs/dbraw/zinc/30/44/88/571304488.db2.gz NGEPEOLOPTZONG-RGVLZGJSSA-N 0 0 417.288 5.317 40 30 HKEBRN C=CCN1C(=O)/C(=C\c2cccc(OCc3ccc(Cl)cc3Cl)c2)OC1=S ZINC000013453579 560810901 /nfs/dbraw/zinc/81/09/01/560810901.db2.gz PBBHEEBCCXLURD-VCHYOVAHSA-N 0 0 420.317 5.243 40 30 HKEBRN C=CCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2C)S/C1=N\c1ccccc1C ZINC000013475598 560810999 /nfs/dbraw/zinc/81/09/99/560810999.db2.gz ZFDQMSGCKYFESF-BEIQUOEZSA-N 0 0 423.563 5.164 40 30 HKEBRN CCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N\c1cccc2ncccc12 ZINC000013475649 560811017 /nfs/dbraw/zinc/81/10/17/560811017.db2.gz KLQQWIOGZHFEBJ-YJOHERITSA-N 0 0 418.547 5.229 40 30 HKEBRN C/C(=N\OC(=O)COc1ccc(Cl)cc1Cl)c1ccc(Br)cc1 ZINC000013476079 560811018 /nfs/dbraw/zinc/81/10/18/560811018.db2.gz DGBPNKHBNYQGLD-KEBDBYFISA-N 0 0 417.086 5.102 40 30 HKEBRN O=C1N/C(=N\c2ccccc2Cl)S/C1=C/c1ccc(OCc2ccccc2)cc1 ZINC000013476382 560811008 /nfs/dbraw/zinc/81/10/08/560811008.db2.gz ITBZEEFYNQMAMY-KGENOOAVSA-N 0 0 420.921 5.811 40 30 HKEBRN O=[N+]([O-])c1ccc(N=NCc2ccc(-c3cccc(Cl)c3Cl)o2)c([N+](=O)[O-])c1 ZINC000013476392 560811001 /nfs/dbraw/zinc/81/10/01/560811001.db2.gz BCGBJZXXPPMUIR-AWQFTUOYSA-N 0 0 421.196 5.516 40 30 HKEBRN Cc1sc(NC(=O)CSc2nc3ccc(C(C)C)cc3cc2C#N)c(C#N)c1C ZINC000013503478 558822899 /nfs/dbraw/zinc/82/28/99/558822899.db2.gz XSHKSEWITDNJDT-UHFFFAOYSA-N 0 0 420.563 5.511 40 30 HKEBRN Cc1ccc2cc(C#N)c(SCC(=O)Nc3ccccc3-c3ccccc3)nc2c1C ZINC000013503493 560812667 /nfs/dbraw/zinc/81/26/67/560812667.db2.gz PZWNBHVIMCOOEG-UHFFFAOYSA-N 0 0 423.541 6.121 40 30 HKEBRN Cc1cc(C)c2nc(SCC(=O)Nc3ccccc3-c3ccccc3)c(C#N)cc2c1 ZINC000013509414 558835126 /nfs/dbraw/zinc/83/51/26/558835126.db2.gz IDSWGLCMSLAZEM-UHFFFAOYSA-N 0 0 423.541 6.121 40 30 HKEBRN Cc1cc2cc(C#N)c(SCC(=O)Nc3ccccc3-c3ccccc3)nc2cc1C ZINC000013509433 558835238 /nfs/dbraw/zinc/83/52/38/558835238.db2.gz ILWSXIYIPOBHIK-UHFFFAOYSA-N 0 0 423.541 6.121 40 30 HKEBRN CC/N=C1\Sc2nc3c(C)cc(C)cc3cc2CN1Cc1ccc2c(c1)OCO2 ZINC000013511096 560812013 /nfs/dbraw/zinc/81/20/13/560812013.db2.gz PWAYPTRNRFBQDS-VHXPQNKSSA-N 0 0 405.523 5.064 40 30 HKEBRN CC(C)C/N=C1\Sc2nc3cc4c(cc3cc2CN1Cc1cccs1)OCO4 ZINC000013511165 560812030 /nfs/dbraw/zinc/81/20/30/560812030.db2.gz QLJCIVKKWOPDIA-DQRAZIAOSA-N 0 0 411.552 5.145 40 30 HKEBRN N#CC1(C#N)C[C@@H](C(=O)c2ccccc2)C(c2ccccc2)[C@@H](C(=O)c2ccccc2)C1 ZINC000013511765 560811996 /nfs/dbraw/zinc/81/19/96/560811996.db2.gz HTWAUSQLONLFDW-XMGLRAKGSA-N 0 0 418.496 5.596 40 30 HKEBRN C=C1CC[C@H](O)C/C1=C\C=C1/CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)CCCC(C)(C)O ZINC000013525982 569000311 /nfs/dbraw/zinc/00/03/11/569000311.db2.gz JWUBBDSIWDLEOM-WIFPIRAHSA-N 0 0 400.647 6.734 40 30 in-vivo HKEBRN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)CC4=CC(=O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C ZINC000013543181 558537645 /nfs/dbraw/zinc/53/76/45/558537645.db2.gz UQPYXHJTHPHOMM-NIBOIBLTSA-N 0 0 416.646 5.539 40 30 in-vitro HKEBRN C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O)C[C@@H](O)C[C@H]1O ZINC000013543615 560219358 /nfs/dbraw/zinc/21/93/58/560219358.db2.gz GMRQFYUYWCNGIN-PEJFXWBPSA-N 0 0 416.646 5.705 40 30 in-vitro HKEBRN COc1ccc(/C=N/N(C)c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1OC ZINC000013548639 558538501 /nfs/dbraw/zinc/53/85/01/558538501.db2.gz VWVQBQCIALUKJM-OVVQPSECSA-N 0 0 424.504 5.298 40 30 HKEBRN C/C(=N\N(C)c1nc(-c2ccccc2)cc(-c2ccccc2)n1)c1cccc([N+](=O)[O-])c1 ZINC000013548642 560815455 /nfs/dbraw/zinc/81/54/55/560815455.db2.gz OGGQEPFSBIUYMX-MTDXEUNCSA-N 0 0 423.476 5.579 40 30 HKEBRN C/C(=N\N(C)c1nc(-c2ccccc2)cc(-c2ccccc2)n1)c1ccc([N+](=O)[O-])cc1 ZINC000013548645 558538529 /nfs/dbraw/zinc/53/85/29/558538529.db2.gz PLNYMUQIBFLDEH-MTDXEUNCSA-N 0 0 423.476 5.579 40 30 HKEBRN COc1ccc(/C=N/N(C)c2nc(-c3ccccc3)cc(-c3ccccc3)n2)c(OC)c1 ZINC000013548648 560815469 /nfs/dbraw/zinc/81/54/69/560815469.db2.gz RIFZSOXSHUJFIY-OVVQPSECSA-N 0 0 424.504 5.298 40 30 HKEBRN O=C1/C(=C\c2ccccc2C(F)(F)F)S/C(=N\c2ccccc2)N1c1ccccc1 ZINC000013549002 560815472 /nfs/dbraw/zinc/81/54/72/560815472.db2.gz BCPOALWUMJLPKM-VIZCDRHWSA-N 0 0 424.447 6.514 40 30 HKEBRN COC(=O)c1ccc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1 ZINC000013549180 560815489 /nfs/dbraw/zinc/81/54/89/560815489.db2.gz UEYJZUCIDVFXEL-MZHDSZJTSA-N 0 0 414.486 5.282 40 30 HKEBRN O=[N+]([O-])c1cccc(C=Nc2ccc3[nH]c(-c4ccc(Cl)cc4Cl)nc3c2)c1 ZINC000013550448 558538961 /nfs/dbraw/zinc/53/89/61/558538961.db2.gz ZFMDNGPLSQQHCO-FOKLQQMPSA-N 0 0 411.248 6.196 40 30 HKEBRN FC(F)(F)c1cc(N=NCc2ccc(Br)cc2)nc(-c2ccccc2)n1 ZINC000013563096 558540528 /nfs/dbraw/zinc/54/05/28/558540528.db2.gz YTXLHYAZGQRHKF-FOKLQQMPSA-N 0 0 421.220 5.371 40 30 HKEBRN N#Cc1cc2c(nc1Sc1ccc([N+](=O)[O-])cc1C=O)CC[C@@H](c1ccccc1)C2 ZINC000013574067 558843930 /nfs/dbraw/zinc/84/39/30/558843930.db2.gz OEIHBUWQVQWNAC-MRXNPFEDSA-N 0 0 415.474 5.098 40 30 HKEBRN N#Cc1cc2c(nc1Sc1ccc([N+](=O)[O-])cc1C=O)CC[C@H](c1ccccc1)C2 ZINC000013574070 558843983 /nfs/dbraw/zinc/84/39/83/558843983.db2.gz OEIHBUWQVQWNAC-INIZCTEOSA-N 0 0 415.474 5.098 40 30 HKEBRN CCc1ccc(O)c(N=CC2=CC(=[NH+][N-]c3cccc(Br)c3)C=CC2=O)c1 ZINC000013574319 560814573 /nfs/dbraw/zinc/81/45/73/560814573.db2.gz HDONNSKTZIXDNM-JLUADYMRSA-N 0 0 424.298 6.589 40 30 HKEBRN N#CC(=NNc1ccc(Cl)cc1)c1nc(-c2ccc(Br)cc2)cs1 ZINC000013615895 560823932 /nfs/dbraw/zinc/82/39/32/560823932.db2.gz ZNZPVWSXRUHFRM-HAHDFKILSA-N 0 0 417.719 5.566 40 30 HKEBRN C=CCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@@H]1c1ccc(OCCCC)cc1 ZINC000013634780 569000384 /nfs/dbraw/zinc/00/03/84/569000384.db2.gz KVHCGCLNOIKKDI-HSZRJFAPSA-N 0 0 417.509 5.233 40 30 HKEBRN C=CCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@H]1c1ccc(OCCCC)cc1 ZINC000013634783 518973346 /nfs/dbraw/zinc/97/33/46/518973346.db2.gz KVHCGCLNOIKKDI-QHCPKHFHSA-N 0 0 417.509 5.233 40 30 HKEBRN Cc1cc(/C=C2/S/C(=N/c3ccc(Cl)cc3)NC2=O)c(C)n1-c1ccc(C)cc1 ZINC000013635224 526089223 /nfs/dbraw/zinc/08/92/23/526089223.db2.gz RLJDRODNRDFUTE-FYJGNVAPSA-N 0 0 421.953 5.948 40 30 HKEBRN C=CCNC(=O)c1ccccc1NC(=O)c1ccc(OCc2ccccc2Cl)cc1 ZINC000013684809 518943144 /nfs/dbraw/zinc/94/31/44/518943144.db2.gz GRXTWHIJAVKODV-UHFFFAOYSA-N 0 0 420.896 5.087 40 30 HKEBRN CC1[C@H]2CCCC[C@@]2(C#N)N(Cc2ccccc2C(F)(F)F)[C@@]2(C#N)CCCC[C@@H]12 ZINC000013739015 558588697 /nfs/dbraw/zinc/58/86/97/558588697.db2.gz SOTMWCFQLUSXKP-PVISZZJUSA-N 0 0 415.503 6.062 40 30 HKEBRN CCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)C=C(C)[C@]4(C)[C@H]3CC[C@]12C ZINC000013831340 558596524 /nfs/dbraw/zinc/59/65/24/558596524.db2.gz TXUICONDJPYNPY-IJRWOKMISA-N 0 0 414.630 6.647 40 30 HKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CSc3nc4ccccc4[nH]3)sc2C1 ZINC000013881575 558889276 /nfs/dbraw/zinc/88/92/76/558889276.db2.gz XFTGPAYGVNDGBK-CYBMUJFWSA-N 0 0 424.595 5.378 40 30 HKEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)CSc3nc4ccccc4[nH]3)sc2C1 ZINC000013881577 558889472 /nfs/dbraw/zinc/88/94/72/558889472.db2.gz XFTGPAYGVNDGBK-ZDUSSCGKSA-N 0 0 424.595 5.378 40 30 HKEBRN O=C1/C(=C/c2cc(Cl)ccc2O)S/C(=N\c2ccccc2)N1c1ccccc1 ZINC000013913959 560830312 /nfs/dbraw/zinc/83/03/12/560830312.db2.gz LFMNGFFDCCWSCO-NJMAKWBESA-N 0 0 406.894 5.854 40 30 HKEBRN C=CCOc1c(Cl)cc(/C=C2/C(=O)N(c3ccccc3)N=C2CCC)cc1OC ZINC000013914368 558832577 /nfs/dbraw/zinc/83/25/77/558832577.db2.gz IEVIRWIESLTWHY-QGOAFFKASA-N 0 0 410.901 5.500 40 30 HKEBRN CCOc1cc(/C=C2\C(=O)ON=C2C)ccc1OCc1ccc(Cl)cc1Cl ZINC000013915001 558832756 /nfs/dbraw/zinc/83/27/56/558832756.db2.gz CYRMLVPWXVKJHG-PXNMLYILSA-N 0 0 406.265 5.287 40 30 HKEBRN C=CCOc1cc(Cl)c(/C=C2/SC(=S)N(C3CCCCC3)C2=O)cc1OC ZINC000013915344 558832556 /nfs/dbraw/zinc/83/25/56/558832556.db2.gz LWZJWKXUGXCXBH-WOJGMQOQSA-N 0 0 423.987 5.447 40 30 HKEBRN COc1ccc([C@@H]2Nc3c4ccccc4ccc3C3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000013915619 558832562 /nfs/dbraw/zinc/83/25/62/558832562.db2.gz PZBAOMYBAOJSBC-VWLOTQADSA-N 0 0 413.517 6.167 40 30 HKEBRN COc1ccc([C@H]2Nc3c4ccccc4ccc3C3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000013915621 558832553 /nfs/dbraw/zinc/83/25/53/558832553.db2.gz PZBAOMYBAOJSBC-RUZDIDTESA-N 0 0 413.517 6.167 40 30 HKEBRN CCN1C(=O)/C(=C\c2ccc(C(C)C)cc2)S/C1=N\c1ccc(C(=O)OC)cc1 ZINC000013940996 560830686 /nfs/dbraw/zinc/83/06/86/560830686.db2.gz UHMCMLYKVKJYLU-ZSICUCBDSA-N 0 0 408.523 5.221 40 30 HKEBRN C=CCn1c(SCC(=O)Nc2ccccc2Cl)nnc1-c1ccc(Cl)cc1 ZINC000014069587 560838292 /nfs/dbraw/zinc/83/82/92/560838292.db2.gz FDOZXZLHINDNEW-UHFFFAOYSA-N 0 0 419.337 5.169 40 30 HKEBRN C=CCn1c(SCc2cccc(C)c2)nnc1-c1ccc(Br)cc1 ZINC000014081353 559149545 /nfs/dbraw/zinc/14/95/45/559149545.db2.gz KIEXQTRMTNVHDB-UHFFFAOYSA-N 0 0 400.345 5.494 40 30 HKEBRN C=CCn1c(SCc2ccc(Cl)cc2)nnc1-c1ccc(Br)cc1 ZINC000014081354 560837706 /nfs/dbraw/zinc/83/77/06/560837706.db2.gz JCBFWUSTLHWYJU-UHFFFAOYSA-N 0 0 420.763 5.839 40 30 HKEBRN C=CCn1c(SCc2cccc(OC)c2)nnc1-c1ccc(Br)cc1 ZINC000014081360 569001432 /nfs/dbraw/zinc/00/14/32/569001432.db2.gz NIPDNNNAUHZNCD-UHFFFAOYSA-N 0 0 416.344 5.195 40 30 HKEBRN C=CCn1c(SCc2cccc(Cl)c2)nnc1-c1ccc(Br)cc1 ZINC000014081362 559149560 /nfs/dbraw/zinc/14/95/60/559149560.db2.gz JNKSJDSHIYQEOW-UHFFFAOYSA-N 0 0 420.763 5.839 40 30 HKEBRN C=CCn1c(SCc2ccc(Br)cc2)nnc1-c1ccccc1C ZINC000014081840 560837703 /nfs/dbraw/zinc/83/77/03/560837703.db2.gz DRNRLZHRGDLYKH-UHFFFAOYSA-N 0 0 400.345 5.494 40 30 HKEBRN C=CCn1c(SCC(=O)Nc2ccc(C(C)C)cc2)nnc1-c1ccccc1C ZINC000014081893 560837711 /nfs/dbraw/zinc/83/77/11/560837711.db2.gz KGUNWJDIOLZPFE-UHFFFAOYSA-N 0 0 406.555 5.294 40 30 HKEBRN C=CCn1c(SCC(=O)Nc2cccc(Cl)c2C)nnc1-c1ccccc1C ZINC000014081894 560837684 /nfs/dbraw/zinc/83/76/84/560837684.db2.gz AOHLMRUCURMRQW-UHFFFAOYSA-N 0 0 412.946 5.132 40 30 HKEBRN C=CCn1c(SCC(=O)Nc2cc(Cl)ccc2C)nnc1-c1ccccc1C ZINC000014081909 560837694 /nfs/dbraw/zinc/83/76/94/560837694.db2.gz HOQRXXPSOUJUEH-UHFFFAOYSA-N 0 0 412.946 5.132 40 30 HKEBRN C=CCn1c(SCC(=O)Nc2cc(Cl)ccc2C)nnc1-c1cccc(C)c1 ZINC000014082173 560837808 /nfs/dbraw/zinc/83/78/08/560837808.db2.gz FRASTKCOYBZDIA-UHFFFAOYSA-N 0 0 412.946 5.132 40 30 HKEBRN C=CCn1c(SCc2ccccc2Cl)nnc1-c1ccc(OC)c(OC)c1 ZINC000014083644 560837846 /nfs/dbraw/zinc/83/78/46/560837846.db2.gz FBEMBZYNAJTSLE-UHFFFAOYSA-N 0 0 401.919 5.094 40 30 HKEBRN C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1cccc(Cl)c1 ZINC000014088261 559150013 /nfs/dbraw/zinc/15/00/13/559150013.db2.gz OCQPHASBHVFMIF-UHFFFAOYSA-N 0 0 406.338 5.642 40 30 HKEBRN C=CCn1c(Cc2ccccc2)nnc1SCc1ccc(Br)cc1 ZINC000014091441 560837898 /nfs/dbraw/zinc/83/78/98/560837898.db2.gz AXGHACICAIXITA-UHFFFAOYSA-N 0 0 400.345 5.110 40 30 HKEBRN C=CCn1c(Cc2ccc(OC)cc2)nnc1SCc1ccc(Cl)c(Cl)c1 ZINC000014091787 559150176 /nfs/dbraw/zinc/15/01/76/559150176.db2.gz KQPJJGFYHMYBBB-UHFFFAOYSA-N 0 0 420.365 5.663 40 30 HKEBRN C=CCn1c(COc2cccc(C)c2)nnc1SCc1ccc(Cl)c(Cl)c1 ZINC000014122581 560838459 /nfs/dbraw/zinc/83/84/59/560838459.db2.gz UNHIUBFQAOMISS-UHFFFAOYSA-N 0 0 420.365 5.951 40 30 HKEBRN C=CCOc1ccc(/C=C2/SC(=O)N(Cc3cccc4ccccc43)C2=O)cc1 ZINC000014132183 560838639 /nfs/dbraw/zinc/83/86/39/560838639.db2.gz DRVBWMDXQJIIDB-PXLXIMEGSA-N 0 0 401.487 5.641 40 30 HKEBRN Cc1c(C=NNc2nc3ccccc3[nH]2)c2ccccc2n1Cc1ccccc1Cl ZINC000014134278 560838782 /nfs/dbraw/zinc/83/87/82/560838782.db2.gz FTNLRPZJRBHNRI-VULFUBBASA-N 0 0 413.912 5.974 40 30 HKEBRN Brc1cc(C=NNc2nc3ccccc3[nH]2)ccc1OCc1ccccc1 ZINC000014134287 560838776 /nfs/dbraw/zinc/83/87/76/560838776.db2.gz WFRYBRMGTLRCLK-YDZHTSKRSA-N 0 0 421.298 5.350 40 30 HKEBRN Cc1cc(/C=N/c2oc(C)c(C)c2C#N)c(C)n1-c1ccc(C)c(Br)c1 ZINC000014134481 560838784 /nfs/dbraw/zinc/83/87/84/560838784.db2.gz RKMLROSNJISIMC-BHGWPJFGSA-N 0 0 410.315 5.997 40 30 HKEBRN CCn1cc(/C=N/c2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)c2ccccc21 ZINC000014134487 560838749 /nfs/dbraw/zinc/83/87/49/560838749.db2.gz QLDBTTKMLVHEOY-UXHLAJHPSA-N 0 0 415.496 7.210 40 30 HKEBRN Cc1ccc(-c2cc(C)nc(SCC(=O)Nc3cc(Cl)ccc3C#N)n2)cc1 ZINC000014152940 559153462 /nfs/dbraw/zinc/15/34/62/559153462.db2.gz LSHCDTNKJCDSSR-UHFFFAOYSA-N 0 0 408.914 5.016 40 30 HKEBRN Cc1nn2c(c1-c1ccc(Cl)cc1)N=C1C[C@H](C)CC(=O)C1[C@H]2c1ccncc1 ZINC000014163680 560839561 /nfs/dbraw/zinc/83/95/61/560839561.db2.gz DSKQCHKVZNUBBE-WHEQGISXSA-N 0 0 404.901 5.175 40 30 HKEBRN Cc1nn2c(c1-c1ccc(Cl)cc1)N=C1C[C@@H](C)CC(=O)C1[C@H]2c1ccncc1 ZINC000014163684 560839523 /nfs/dbraw/zinc/83/95/23/560839523.db2.gz DSKQCHKVZNUBBE-MCMMXHMISA-N 0 0 404.901 5.175 40 30 HKEBRN Cc1nn2c(c1-c1ccc(Cl)cc1)N=C1C[C@H](C)CC(=O)C1[C@@H]2c1ccncc1 ZINC000014163688 560839530 /nfs/dbraw/zinc/83/95/30/560839530.db2.gz DSKQCHKVZNUBBE-XMHCIUCPSA-N 0 0 404.901 5.175 40 30 HKEBRN Cc1nn2c(c1-c1ccc(Cl)cc1)N=C1C[C@@H](C)CC(=O)C1[C@@H]2c1ccncc1 ZINC000014163691 560839582 /nfs/dbraw/zinc/83/95/82/560839582.db2.gz DSKQCHKVZNUBBE-DMZKTXOQSA-N 0 0 404.901 5.175 40 30 HKEBRN COc1cccc([C@@H]2C3C(=O)C[C@H](C)CC3=Nc3c(-c4ccc(F)cc4)c(C)nn32)c1 ZINC000014163724 560839576 /nfs/dbraw/zinc/83/95/76/560839576.db2.gz HOVXOXFKGDFUPX-JBEBIEQOSA-N 0 0 417.484 5.274 40 30 HKEBRN COc1cccc([C@H]2C3C(=O)C[C@H](C)CC3=Nc3c(-c4ccc(F)cc4)c(C)nn32)c1 ZINC000014163727 560839572 /nfs/dbraw/zinc/83/95/72/560839572.db2.gz HOVXOXFKGDFUPX-SHACYNPGSA-N 0 0 417.484 5.274 40 30 HKEBRN COc1cccc([C@@H]2C3C(=O)C[C@@H](C)CC3=Nc3c(-c4ccc(F)cc4)c(C)nn32)c1 ZINC000014163731 560839543 /nfs/dbraw/zinc/83/95/43/560839543.db2.gz HOVXOXFKGDFUPX-LFPIHBKWSA-N 0 0 417.484 5.274 40 30 HKEBRN COc1cccc([C@H]2C3C(=O)C[C@@H](C)CC3=Nc3c(-c4ccc(F)cc4)c(C)nn32)c1 ZINC000014163735 560839563 /nfs/dbraw/zinc/83/95/63/560839563.db2.gz HOVXOXFKGDFUPX-BSEYFRJRSA-N 0 0 417.484 5.274 40 30 HKEBRN COc1ccccc1[C@@H]1C2C(=O)C[C@H](C)CC2=Nc2c(-c3ccc(F)cc3)c(C)nn21 ZINC000014163752 560839574 /nfs/dbraw/zinc/83/95/74/560839574.db2.gz MSKIQDPZHLCDNX-JBEBIEQOSA-N 0 0 417.484 5.274 40 30 HKEBRN COc1ccccc1[C@H]1C2C(=O)C[C@H](C)CC2=Nc2c(-c3ccc(F)cc3)c(C)nn21 ZINC000014163754 560839578 /nfs/dbraw/zinc/83/95/78/560839578.db2.gz MSKIQDPZHLCDNX-SHACYNPGSA-N 0 0 417.484 5.274 40 30 HKEBRN COc1ccccc1[C@@H]1C2C(=O)C[C@@H](C)CC2=Nc2c(-c3ccc(F)cc3)c(C)nn21 ZINC000014163758 560839525 /nfs/dbraw/zinc/83/95/25/560839525.db2.gz MSKIQDPZHLCDNX-LFPIHBKWSA-N 0 0 417.484 5.274 40 30 HKEBRN COc1ccccc1[C@H]1C2C(=O)C[C@@H](C)CC2=Nc2c(-c3ccc(F)cc3)c(C)nn21 ZINC000014163762 560839570 /nfs/dbraw/zinc/83/95/70/560839570.db2.gz MSKIQDPZHLCDNX-BSEYFRJRSA-N 0 0 417.484 5.274 40 30 HKEBRN COc1ccc(-c2c(C)nn3c2N=C2C[C@@H](C)CC(=O)C2[C@@H]3c2ccc(C)cc2)cc1 ZINC000014163766 560839554 /nfs/dbraw/zinc/83/95/54/560839554.db2.gz KXFFLJNLIOPALN-CPJLOUKISA-N 0 0 413.521 5.444 40 30 HKEBRN COc1ccc(-c2c(C)nn3c2N=C2C[C@@H](C)CC(=O)C2[C@H]3c2ccc(C)cc2)cc1 ZINC000014163769 560839556 /nfs/dbraw/zinc/83/95/56/560839556.db2.gz KXFFLJNLIOPALN-PUAOIOHZSA-N 0 0 413.521 5.444 40 30 HKEBRN COc1ccc(-c2c(C)nn3c2N=C2C[C@H](C)CC(=O)C2[C@@H]3c2ccc(C)cc2)cc1 ZINC000014163773 560839580 /nfs/dbraw/zinc/83/95/80/560839580.db2.gz KXFFLJNLIOPALN-LMKMVOKYSA-N 0 0 413.521 5.444 40 30 HKEBRN COc1ccc(-c2c(C)nn3c2N=C2C[C@H](C)CC(=O)C2[C@H]3c2ccc(C)cc2)cc1 ZINC000014163777 560839569 /nfs/dbraw/zinc/83/95/69/560839569.db2.gz KXFFLJNLIOPALN-IVCQMTBJSA-N 0 0 413.521 5.444 40 30 HKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CN3CCCc4ccccc43)sc2C1 ZINC000014217243 559157016 /nfs/dbraw/zinc/15/70/16/559157016.db2.gz UDPWELIBHJHCSN-QGZVFWFLSA-N 0 0 407.583 5.162 40 30 HKEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)CN3CCCc4ccccc43)sc2C1 ZINC000014217245 559157017 /nfs/dbraw/zinc/15/70/17/559157017.db2.gz UDPWELIBHJHCSN-KRWDZBQOSA-N 0 0 407.583 5.162 40 30 HKEBRN Cc1nc(N=NCc2c(OCc3ccccc3Cl)ccc3ccccc32)sc1C ZINC000014257493 558651486 /nfs/dbraw/zinc/65/14/86/558651486.db2.gz NRLSRFARKNWWQV-DHRITJCHSA-N 0 0 421.953 6.592 40 30 HKEBRN COc1ccccc1/C=C1\S/C(=N/c2ccc(C)cc2)N(Cc2cccs2)C1=O ZINC000014359129 559164859 /nfs/dbraw/zinc/16/48/59/559164859.db2.gz AIFBFOCZSLRBGN-WRKLRJIISA-N 0 0 420.559 5.869 40 30 HKEBRN C=CCc1cc(C(=O)NCCSCc2ccc(Cl)cc2Cl)ccc1OC ZINC000014400696 560845980 /nfs/dbraw/zinc/84/59/80/560845980.db2.gz FXACNHYLZJWBHY-UHFFFAOYSA-N 0 0 410.366 5.394 40 30 HKEBRN Brc1ccc(COc2ccc(C=NNc3nc4ccccc4[nH]3)cc2)cc1 ZINC000014407434 560845647 /nfs/dbraw/zinc/84/56/47/560845647.db2.gz YXAATDATEZCITP-YDZHTSKRSA-N 0 0 421.298 5.350 40 30 HKEBRN Brc1ccc(COc2ccccc2C=NNc2nc3ccccc3[nH]2)cc1 ZINC000014407438 560845626 /nfs/dbraw/zinc/84/56/26/560845626.db2.gz IUHFAWYIZDLQQU-YDZHTSKRSA-N 0 0 421.298 5.350 40 30 HKEBRN C(=NN=c1[nH]c2ccccc2s1)c1cccc(OCc2cccc3ccccc32)c1 ZINC000014408427 560845663 /nfs/dbraw/zinc/84/56/63/560845663.db2.gz XBOGBVFVOYCLSM-WGOQTCKBSA-N 0 0 409.514 6.475 40 30 HKEBRN COc1ccc(-c2oc(/N=C/c3cccc(O)c3)c(C#N)c2-c2ccc(OC)cc2)cc1 ZINC000014408591 560845678 /nfs/dbraw/zinc/84/56/78/560845678.db2.gz MAEKOWCMTGSLHV-LQKURTRISA-N 0 0 424.456 5.959 40 30 HKEBRN O=[N+]([O-])c1ccc(N=NCc2ccc(-c3cccc(C(F)(F)F)c3)o2)c([N+](=O)[O-])c1 ZINC000014408809 560845661 /nfs/dbraw/zinc/84/56/61/560845661.db2.gz FJKFJIYAPSBQJC-LSHDLFTRSA-N 0 0 420.303 5.228 40 30 HKEBRN C=CCOc1ccc(NC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1 ZINC000014649691 569003105 /nfs/dbraw/zinc/00/31/05/569003105.db2.gz WNDTTZNSVDJCIJ-UHFFFAOYSA-N 0 0 418.331 5.329 40 30 HKEBRN C=C1CCCC(C)(C)[C@@H]1CC/C(C)=C\Cn1c2ccccc2nc2c(=O)cccc1-2 ZINC000014651289 569003233 /nfs/dbraw/zinc/00/32/33/569003233.db2.gz APNRZHLOPQFNMR-PUBZQGQPSA-N 0 0 400.566 6.610 40 30 HKEBRN C=CCOc1cccc(NC(=O)COc2ccc3ccccc3c2Br)c1 ZINC000014783730 569003449 /nfs/dbraw/zinc/00/34/49/569003449.db2.gz FKLHAEWSNRLTHU-UHFFFAOYSA-N 0 0 412.283 5.185 40 30 HKEBRN O=[N+]([O-])c1ccccc1/C=C/C=N/c1ccc2oc(-c3ccc4ccccc4c3)nc2c1 ZINC000014921249 568455576 /nfs/dbraw/zinc/45/55/76/568455576.db2.gz SAWHRLSECBEYBY-WTAJHTIPSA-N 0 0 419.440 6.972 40 30 HKEBRN CCC(N=Nc1nc(-c2ccc(Br)cc2)cs1)c1ccc(Cl)cc1 ZINC000014922522 558936982 /nfs/dbraw/zinc/93/69/82/558936982.db2.gz VMMYFEYLXZGTFQ-CJLVFECKSA-N 0 0 420.763 6.452 40 30 HKEBRN CCC(N=Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1)c1ccc(Cl)cc1 ZINC000014922564 558679479 /nfs/dbraw/zinc/67/94/79/558679479.db2.gz OJXNREUDDAUYDT-XQNSMLJCSA-N 0 0 410.757 6.997 40 30 HKEBRN Cc1ccc(NC(=O)c2ccccc2Sc2cc(C#N)c(C#N)cc2[N+](=O)[O-])cc1 ZINC000014945027 568456640 /nfs/dbraw/zinc/45/66/40/568456640.db2.gz APOAFMHHDZYUIC-UHFFFAOYSA-N 0 0 414.446 5.050 40 30 HKEBRN C#CCCCCCCCCCNC(=O)Oc1cccc(-c2cccc(C(N)=O)c2)c1 ZINC000014980506 560228075 /nfs/dbraw/zinc/22/80/75/560228075.db2.gz BCKBOXGAYIOHDQ-UHFFFAOYSA-N 0 0 406.526 5.295 40 30 in-vitro HKEBRN C#CCN1C(=O)S/C(=C\c2cn(Cc3ccc(Cl)cc3)c3ccccc23)C1=O ZINC000015012785 569004402 /nfs/dbraw/zinc/00/44/02/569004402.db2.gz KNAKDKAHYTXVFA-NDENLUEZSA-N 0 0 406.894 5.013 40 30 HKEBRN CCc1ccccc1-n1c(C)cc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)c1C ZINC000015013257 521803110 /nfs/dbraw/zinc/80/31/10/521803110.db2.gz OJZOKSWESZOJSJ-HYARGMPZSA-N 0 0 419.525 5.687 40 30 HKEBRN O=C1/C(=C\c2ccc(O)c(Cl)c2)S/C(=N\c2ccccc2)N1c1ccccc1 ZINC000015013312 558701024 /nfs/dbraw/zinc/70/10/24/558701024.db2.gz MQPOZVHOZMNSBU-NVTWWLNUSA-N 0 0 406.894 5.854 40 30 HKEBRN O=C1N/C(=N/c2ccccc2)S/C1=C/c1ccc(Sc2ccc(Cl)cc2)cc1 ZINC000015013414 558701243 /nfs/dbraw/zinc/70/12/43/558701243.db2.gz ZAMPVEWNFOYXNY-XSFVSMFZSA-N 0 0 422.962 6.383 40 30 HKEBRN Clc1ccc(-c2ccc(CN=Nc3nncc(-c4ccccc4)n3)o2)c(Cl)c1 ZINC000015015344 558701602 /nfs/dbraw/zinc/70/16/02/558701602.db2.gz PMWKJCOFVTXZEM-KSEXSDGBSA-N 0 0 410.264 5.551 40 30 HKEBRN CC(C)=CCCC1=CC[C@H](CN=Nc2nnc3c4cc(C)ccc4[nH]c3n2)[C@H](C)C1 ZINC000015015401 558701644 /nfs/dbraw/zinc/70/16/44/558701644.db2.gz LHOSDCCNJRRCHP-OROPEDOYSA-N 0 0 402.546 5.931 40 30 HKEBRN CC(C)=CCCC1=CC[C@H](CN=Nc2nnc3c4cc(C)ccc4[nH]c3n2)[C@@H](C)C1 ZINC000015015402 519402030 /nfs/dbraw/zinc/40/20/30/519402030.db2.gz LHOSDCCNJRRCHP-PNJIMKALSA-N 0 0 402.546 5.931 40 30 HKEBRN CC(C)=CCCC1=CC[C@@H](CN=Nc2nnc3c4cc(C)ccc4[nH]c3n2)[C@H](C)C1 ZINC000015015403 558701652 /nfs/dbraw/zinc/70/16/52/558701652.db2.gz LHOSDCCNJRRCHP-MFDYBRHTSA-N 0 0 402.546 5.931 40 30 HKEBRN CC(C)=CCCC1=CC[C@@H](CN=Nc2nnc3c4cc(C)ccc4[nH]c3n2)[C@@H](C)C1 ZINC000015015404 558701703 /nfs/dbraw/zinc/70/17/03/558701703.db2.gz LHOSDCCNJRRCHP-GCFBQDJWSA-N 0 0 402.546 5.931 40 30 HKEBRN CC(C)=CCCC1=CC[C@H](CN=Nc2nnc3c4cccc(C)c4[nH]c3n2)[C@H](C)C1 ZINC000015015725 558701607 /nfs/dbraw/zinc/70/16/07/558701607.db2.gz XLSSFATVNANLSZ-OROPEDOYSA-N 0 0 402.546 5.931 40 30 HKEBRN CC(C)=CCCC1=CC[C@H](CN=Nc2nnc3c4cccc(C)c4[nH]c3n2)[C@@H](C)C1 ZINC000015015726 558701569 /nfs/dbraw/zinc/70/15/69/558701569.db2.gz XLSSFATVNANLSZ-PNJIMKALSA-N 0 0 402.546 5.931 40 30 HKEBRN CC(C)=CCCC1=CC[C@@H](CN=Nc2nnc3c4cccc(C)c4[nH]c3n2)[C@H](C)C1 ZINC000015015727 558701640 /nfs/dbraw/zinc/70/16/40/558701640.db2.gz XLSSFATVNANLSZ-MFDYBRHTSA-N 0 0 402.546 5.931 40 30 HKEBRN CC(C)=CCCC1=CC[C@@H](CN=Nc2nnc3c4cccc(C)c4[nH]c3n2)[C@@H](C)C1 ZINC000015015728 558701629 /nfs/dbraw/zinc/70/16/29/558701629.db2.gz XLSSFATVNANLSZ-GCFBQDJWSA-N 0 0 402.546 5.931 40 30 HKEBRN Cc1cccc2c3nnc(N=NC[C@H]4C[C@@H]5C(=CCCC5(C)C)C[C@@H]4C)nc3[nH]c21 ZINC000015015735 558701624 /nfs/dbraw/zinc/70/16/24/558701624.db2.gz YNDSERMTSHYXKD-KBQGXEDXSA-N 0 0 402.546 5.621 40 30 HKEBRN Cc1cccc2c3nnc(N=NC[C@H]4C[C@H]5C(=CCCC5(C)C)C[C@@H]4C)nc3[nH]c21 ZINC000015015737 558701808 /nfs/dbraw/zinc/70/18/08/558701808.db2.gz YNDSERMTSHYXKD-VYQPASDNSA-N 0 0 402.546 5.621 40 30 HKEBRN Brc1ccc(CN=Nc2nnc(-c3ccccc3)c(-c3ccccc3)n2)o1 ZINC000015015880 558701828 /nfs/dbraw/zinc/70/18/28/558701828.db2.gz VYVDHAGUOZYNRY-XKZIYDEJSA-N 0 0 420.270 5.007 40 30 HKEBRN Cc1cc(C)c(/C=N/N2C(=O)/C(=C/c3c(C)cc(C)cc3C)SC2=S)c(C)c1 ZINC000015016206 524214436 /nfs/dbraw/zinc/21/44/36/524214436.db2.gz RHPXGBJVQPTGMG-DNVDEYQTSA-N 0 0 408.592 5.772 40 30 HKEBRN CCOc1cc(/C=C2\N=C(SCc3ccccc3)SC2=O)cc(Cl)c1O ZINC000015016587 558702290 /nfs/dbraw/zinc/70/22/90/558702290.db2.gz OJRBHTXFUFKFFW-DHDCSXOGSA-N 0 0 405.928 5.348 40 30 HKEBRN Fc1cnc(Nc2cccc(C(F)(F)F)c2)nc1Nc1cccc(C(F)(F)F)c1 ZINC000015018854 558703120 /nfs/dbraw/zinc/70/31/20/558703120.db2.gz OXFHBZIEUCDPPL-UHFFFAOYSA-N 0 0 416.300 6.141 40 30 HKEBRN Cc1ccc2c(ccc3c2NC2=C(C(=O)CCC2)[C@H]3c2ccc(Br)cc2)n1 ZINC000015024075 558703547 /nfs/dbraw/zinc/70/35/47/558703547.db2.gz UJJCKQLVDUSOOU-NRFANRHFSA-N 0 0 419.322 5.870 40 30 HKEBRN Cc1ccc2c(ccc3c2NC2=C(C(=O)CCC2)[C@@H]3c2ccc(Br)cc2)n1 ZINC000015024082 558703454 /nfs/dbraw/zinc/70/34/54/558703454.db2.gz UJJCKQLVDUSOOU-OAQYLSRUSA-N 0 0 419.322 5.870 40 30 HKEBRN CCN(CC)c1ccc(/N=C\c2ccc(Sc3cccc4cccnc43)o2)cc1 ZINC000015133772 558724409 /nfs/dbraw/zinc/72/44/09/558724409.db2.gz UWJYJBCCGRZNDW-ONUIUJJFSA-N 0 0 401.535 6.576 40 30 HKEBRN Cc1ccc2[nH]c(-c3cc(N=Cc4cc(Br)ccc4O)ccc3O)nc2c1 ZINC000015134765 568691964 /nfs/dbraw/zinc/69/19/64/568691964.db2.gz CEYIHQNECVLLFA-FOKLQQMPSA-N 0 0 422.282 5.463 40 30 HKEBRN Brc1cc2c(cc1C=Nc1ccc3[nH]c(-c4ccccc4)nc3c1)OCO2 ZINC000015134768 558724727 /nfs/dbraw/zinc/72/47/27/558724727.db2.gz FJNJFYQPRBESMT-FOKLQQMPSA-N 0 0 420.266 5.472 40 30 HKEBRN N#Cc1c(Cl)nc(Cl)c(Cl)c1N(C[C@@H]1CCCO1)C[C@@H]1CC=CCC1 ZINC000015218539 568819094 /nfs/dbraw/zinc/81/90/94/568819094.db2.gz YCMWNXIKOMYOIV-OLZOCXBDSA-N 0 0 400.737 5.255 40 30 HKEBRN O=[N+]([O-])c1ccc(N=NCc2ccc(-c3ccc(Br)c(Cl)c3)o2)nc1 ZINC000015223375 560854187 /nfs/dbraw/zinc/85/41/87/560854187.db2.gz RMKGGHOFLCBAIN-UKWGHVSLSA-N 0 0 421.638 5.112 40 30 HKEBRN C[C@@H](c1ccccc1)N1C(=O)/C(=C\c2c[nH]c3ccccc23)S/C1=N/c1ccccc1 ZINC000015224301 558728497 /nfs/dbraw/zinc/72/84/97/558728497.db2.gz DPNXZWNATNDIKH-FWUKABICSA-N 0 0 423.541 6.533 40 30 HKEBRN C[C@H](c1ccccc1)N1C(=O)/C(=C\c2c[nH]c3ccccc23)S/C1=N\c1ccccc1 ZINC000015224303 569362232 /nfs/dbraw/zinc/36/22/32/569362232.db2.gz DPNXZWNATNDIKH-KGQUIRLZSA-N 0 0 423.541 6.533 40 30 HKEBRN CC(C)N1C(=O)/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)S/C1=N\c1ccccc1 ZINC000015224759 569362204 /nfs/dbraw/zinc/36/22/04/569362204.db2.gz UMDQOSHFJILBRY-SMSCYPBYSA-N 0 0 401.875 5.261 40 30 HKEBRN Clc1ccc(-n2c(-c3ccccc3)cc(/C=N\n3cnnc3)c2-c2ccccc2)cc1 ZINC000015224772 558728456 /nfs/dbraw/zinc/72/84/56/558728456.db2.gz MDEGXIQGLCVKKQ-MWLSYYOVSA-N 0 0 423.907 5.938 40 30 HKEBRN COc1ccc2c(c1)Cc1sc(/N=C/c3ccc(OC)c(Br)c3)nc1-2 ZINC000015226337 525545011 /nfs/dbraw/zinc/54/50/11/525545011.db2.gz KQQZKXOWUHXDDW-UFFVCSGVSA-N 0 0 415.312 5.245 40 30 HKEBRN COc1cccc(CN=Nc2c(F)c(F)c(F)c(F)c2F)c1OCc1ccccc1 ZINC000015227600 525773023 /nfs/dbraw/zinc/77/30/23/525773023.db2.gz AFLSSYYEGKACEI-YPXUMCKCSA-N 0 0 422.353 5.416 40 30 HKEBRN CC1N=NC(=S)N1N=Cc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 ZINC000015228241 569362222 /nfs/dbraw/zinc/36/22/22/569362222.db2.gz NTWDKXZGABLEBV-LSFURLLWSA-N 0 0 416.337 5.067 40 30 HKEBRN N#Cc1ccccc1COc1ccc2ccccc2c1CN=Nc1ccc([N+](=O)[O-])cn1 ZINC000015229398 560853912 /nfs/dbraw/zinc/85/39/12/560853912.db2.gz IRFCVVOFCGWONE-DICXZTSXSA-N 0 0 423.432 5.040 40 30 HKEBRN Cc1ccsc1/C=C1\S/C(=N\c2ccc(Br)c(Cl)c2)NC1=O ZINC000015229971 569362234 /nfs/dbraw/zinc/36/22/34/569362234.db2.gz LHYHWEVUKPFWNI-QPEQYQDCSA-N 0 0 413.749 5.364 40 30 HKEBRN CC1(c2ccccc2)CC(/C(=N\OC(=O)Cc2ccccc2)c2cc3ccccc3o2)C1 ZINC000015230059 558729232 /nfs/dbraw/zinc/72/92/32/558729232.db2.gz QSFJYEKHZOVASM-ORIPQNMZSA-N 0 0 423.512 6.291 40 30 HKEBRN CC1(c2ccccc2)CC(/C(=N\OCC(=O)c2ccccc2)c2cc3ccccc3o2)C1 ZINC000015230064 520783284 /nfs/dbraw/zinc/78/32/84/520783284.db2.gz YKASQIOIJJMTKT-ORIPQNMZSA-N 0 0 423.512 6.404 40 30 HKEBRN COCc1cc(C)nc2sc(C(=O)c3ccc(Cl)cc3Cl)c(N=[N+]=[N-])c21 ZINC000015240214 522920579 /nfs/dbraw/zinc/92/05/79/522920579.db2.gz XEIZGCGXEHNJIJ-UHFFFAOYSA-N 0 0 407.282 6.231 40 30 HKEBRN CC1(C)CC(=O)C2=C(C1)Nc1ccc3ncccc3c1[C@@H]2c1ccc(Cl)cc1Cl ZINC000015305140 558731428 /nfs/dbraw/zinc/73/14/28/558731428.db2.gz HJCVQVURXYPUIR-QFIPXVFZSA-N 0 0 423.343 6.742 40 30 HKEBRN CC1(C)CC(=O)C2=C(C1)Nc1ccc3ncccc3c1[C@H]2c1ccc(Cl)cc1Cl ZINC000015305145 558731451 /nfs/dbraw/zinc/73/14/51/558731451.db2.gz HJCVQVURXYPUIR-JOCHJYFZSA-N 0 0 423.343 6.742 40 30 HKEBRN CCCS/C(=N\C#N)SCOc1nc2ccc(Br)cc2s1 ZINC000015441935 558740186 /nfs/dbraw/zinc/74/01/86/558740186.db2.gz FXTOUMVFVDLPAV-DTQAZKPQSA-N 0 0 402.364 5.109 40 30 HKEBRN COc1cc(/C=N/OCc2ccccc2C#N)ccc1OCc1ccc(Cl)cc1 ZINC000015552410 569344991 /nfs/dbraw/zinc/34/49/91/569344991.db2.gz IXZXGHCEEMXDJV-VULFUBBASA-N 0 0 406.869 5.350 40 30 HKEBRN C=C1/C(=C/C=C2\CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCCC(C)C)C[C@@H](O)C[C@@H]1O ZINC000015657803 518657920 /nfs/dbraw/zinc/65/79/20/518657920.db2.gz OFHCOWSQAMBJIW-AOSUDXALSA-N 0 0 400.647 6.590 40 30 HKEBRN Cc1ccc(CN2CCN(/N=C\c3cccc(OCc4ccccc4)c3)CC2)c(C)c1 ZINC000015745904 558751394 /nfs/dbraw/zinc/75/13/94/558751394.db2.gz JOMPLBCMTNCZMV-USHMODERSA-N 0 0 413.565 5.034 40 30 HKEBRN CCOC(=O)/C(=N\Nc1ccccc1Cl)N(C1CCCCC1)C1CCCCC1 ZINC000015906322 569020604 /nfs/dbraw/zinc/02/06/04/569020604.db2.gz XTAJGMAYZBEKLD-NJNXFGOHSA-N 0 0 405.970 5.596 40 30 HKEBRN Cc1cccc(/N=c2\scc(-c3ccc(Cl)cc3)n2/N=C/c2ccncc2)c1C ZINC000015913412 569020924 /nfs/dbraw/zinc/02/09/24/569020924.db2.gz NYHNDRWQKONEPY-YHMUTHJVSA-N 0 0 418.953 5.996 40 30 HKEBRN COc1ccccc1/N=c1\scc(-c2ccc(C)c(C)c2)n1/N=C/c1ccncc1 ZINC000015913449 569020920 /nfs/dbraw/zinc/02/09/20/569020920.db2.gz RYYGCUHFWHSNMS-UCRJKCCMSA-N 0 0 414.534 5.352 40 30 HKEBRN COc1ccc(NC(=O)c2c3c(sc2/N=C\c2sccc2C)CCCCC3)cc1 ZINC000015945617 524623357 /nfs/dbraw/zinc/62/33/57/524623357.db2.gz KEWAXVQQALAOGV-OYKKKHCWSA-N 0 0 424.591 6.398 40 30 HKEBRN CC(=NOC(=O)Nc1ccc(Cl)cc1)C(C)=NOC(=O)Nc1ccc(Cl)cc1 ZINC000016137248 558773355 /nfs/dbraw/zinc/77/33/55/558773355.db2.gz TYVJWSNMCWNNRK-ASIDMNOUSA-N 0 0 423.256 5.542 40 30 HKEBRN CC(=NOC(=O)Nc1cccc(Cl)c1)C(C)=NOC(=O)Nc1cccc(Cl)c1 ZINC000016137252 558773358 /nfs/dbraw/zinc/77/33/58/558773358.db2.gz OEOVKRSCZNJSPP-ASIDMNOUSA-N 0 0 423.256 5.542 40 30 HKEBRN COc1ccc(N(C(C)=O)/C(=N/c2ccc(Br)cc2)c2ccccc2)cc1 ZINC000016139012 558773365 /nfs/dbraw/zinc/77/33/65/558773365.db2.gz QRRQVJUOOPWBBK-ZNTNEXAZSA-N 0 0 423.310 5.589 40 30 HKEBRN COC(=O)C(=O)[C@@H](SC(=Nc1ccccc1)Nc1ccccc1)c1ccccc1 ZINC000016189587 558777146 /nfs/dbraw/zinc/77/71/46/558777146.db2.gz YOVXXBXAXPEEFD-NRFANRHFSA-N 0 0 404.491 5.003 40 30 HKEBRN COC(=O)C(=O)[C@H](SC(=Nc1ccccc1)Nc1ccccc1)c1ccccc1 ZINC000016189589 558777116 /nfs/dbraw/zinc/77/71/16/558777116.db2.gz YOVXXBXAXPEEFD-OAQYLSRUSA-N 0 0 404.491 5.003 40 30 HKEBRN COC(=O)c1cc(-c2ccc(/C=N/c3sc4c(c3C#N)CCCC4)o2)ccc1Cl ZINC000016194064 558777514 /nfs/dbraw/zinc/77/75/14/558777514.db2.gz UEOMMLKKVXQCIE-BRJLIKDPSA-N 0 0 424.909 5.949 40 30 HKEBRN COC(=O)c1ccc(-c2ccc(/C=N/c3ccc4oc(-c5ccccc5)nc4c3)o2)cc1 ZINC000016194223 558777567 /nfs/dbraw/zinc/77/75/67/558777567.db2.gz VITMHQHZNGOZQP-JVWAILMASA-N 0 0 422.440 6.292 40 30 HKEBRN COc1cc(/C=C2\Sc3ccccc3C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000016214678 558778800 /nfs/dbraw/zinc/77/88/00/558778800.db2.gz FWHFTNQTMQZSCJ-XKZIYDEJSA-N 0 0 419.458 5.512 40 30 HKEBRN COc1ccc(Br)c(/C=N\c2ccc(-c3nc4ccccc4o3)cc2)c1O ZINC000016215715 558779078 /nfs/dbraw/zinc/77/90/78/558779078.db2.gz GLALJNKPQZXULM-FMCGGJTJSA-N 0 0 423.266 5.722 40 30 HKEBRN COc1ccc(-c2nc(/N=C/c3ccccc3O)sc2-c2ccc(OC)cc2)cc1 ZINC000016217375 558779342 /nfs/dbraw/zinc/77/93/42/558779342.db2.gz SALCWEXWCNURQA-MFKUBSTISA-N 0 0 416.502 5.951 40 30 HKEBRN COc1ccc2nc(C=Cc3ccccc3)cc(NN=Cc3cccc([N+](=O)[O-])c3)c2c1 ZINC000016227752 558779728 /nfs/dbraw/zinc/77/97/28/558779728.db2.gz DISJTRMQNVVLLC-JUWNEVKWSA-N 0 0 424.460 5.768 40 30 HKEBRN CSc1nc(Br)c(Br)c(-c2ccc(Cl)cc2)c1C#N ZINC000016248704 569030300 /nfs/dbraw/zinc/03/03/00/569030300.db2.gz IPLIBTSCYZUABR-UHFFFAOYSA-N 0 0 418.541 5.521 40 30 HKEBRN CSc1nc(Br)c(C#N)c(-c2ccc(Cl)cc2)c1Br ZINC000016248707 569030329 /nfs/dbraw/zinc/03/03/29/569030329.db2.gz WYEJYERMSGRIRC-UHFFFAOYSA-N 0 0 418.541 5.521 40 30 HKEBRN Cc1[nH]c2ccccc2c1/C=N\c1sc2c(c1C(=O)Nc1ccccc1)CCCC2 ZINC000016249737 558780960 /nfs/dbraw/zinc/78/09/60/558780960.db2.gz YPFLGGBUKXSHGM-YSMPRRRNSA-N 0 0 413.546 6.420 40 30 HKEBRN Cc1c(/N=C/c2c(O)ccc3ccccc32)cccc1-c1nc2cc(Cl)ccc2o1 ZINC000016249935 558780912 /nfs/dbraw/zinc/78/09/12/558780912.db2.gz RUUMMVOLKMUZTI-MZJWZYIUSA-N 0 0 412.876 7.066 40 30 HKEBRN Cc1nc2ccccc2nc1-c1sc(C(=O)c2ccc(Cl)cc2)c(N)c1C#N ZINC000016265548 569030354 /nfs/dbraw/zinc/03/03/54/569030354.db2.gz KTGJUGFUBCQKIC-UHFFFAOYSA-N 0 0 404.882 5.005 40 30 HKEBRN Cc1cc([C@@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)NC1CCCCC1 ZINC000016268097 558782445 /nfs/dbraw/zinc/78/24/45/558782445.db2.gz WKMDLAIVAVCXSJ-IBGZPJMESA-N 0 0 416.352 6.412 40 30 HKEBRN Cc1cc([C@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)NC1CCCCC1 ZINC000016268100 558782492 /nfs/dbraw/zinc/78/24/92/558782492.db2.gz WKMDLAIVAVCXSJ-LJQANCHMSA-N 0 0 416.352 6.412 40 30 HKEBRN Cc1cc([C@@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)c1ccc(F)cc1 ZINC000016268133 558782448 /nfs/dbraw/zinc/78/24/48/558782448.db2.gz SJHRIJUJNITWMO-IBGZPJMESA-N 0 0 413.279 6.349 40 30 HKEBRN Cc1cc([C@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)c1ccc(F)cc1 ZINC000016268136 558782520 /nfs/dbraw/zinc/78/25/20/558782520.db2.gz SJHRIJUJNITWMO-LJQANCHMSA-N 0 0 413.279 6.349 40 30 HKEBRN Cc1cc2nc(-c3cccc(/N=C\c4ccc(Cl)c([N+](=O)[O-])c4)c3C)oc2c(C)c1 ZINC000016268808 558782727 /nfs/dbraw/zinc/78/27/27/558782727.db2.gz VQNCIPLFTHBIJS-ROTLSHHCSA-N 0 0 419.868 6.732 40 30 HKEBRN COc1cc(Br)cc(/C=N/c2c(C)cc(Br)cc2C)c1O ZINC000016269356 558782669 /nfs/dbraw/zinc/78/26/69/558782669.db2.gz CHKLTQDQQRPIGC-UFWORHAWSA-N 0 0 413.109 5.293 40 30 HKEBRN Cc1cc(I)cc(/C=N/c2ccc3c4c(cccc42)CC3)c1O ZINC000016269554 558782944 /nfs/dbraw/zinc/78/29/44/558782944.db2.gz RPBAIPYZFCSATA-SSDVNMTOSA-N 0 0 413.258 5.308 40 30 HKEBRN Cc1cc(Br)cc(/C=N/c2ccc(NC(=O)c3ccccc3)c(C)c2)c1O ZINC000016282665 558783460 /nfs/dbraw/zinc/78/34/60/558783460.db2.gz WBIARGGMXNTYPT-ZMOGYAJESA-N 0 0 423.310 5.774 40 30 HKEBRN Cc1cc2nc3ccc(N(C)C)cc3nc2cc1/N=C/c1ccc(Br)cc1 ZINC000016284143 558783519 /nfs/dbraw/zinc/78/35/19/558783519.db2.gz SPANHCZZAQPPFN-ZMOGYAJESA-N 0 0 419.326 5.671 40 30 HKEBRN Cc1ccc(C(=O)/C=C/Sc2c(Cl)c(Cl)nc(Cl)c2Cl)c(C)c1 ZINC000016284710 558783741 /nfs/dbraw/zinc/78/37/41/558783741.db2.gz ZBUGFRGRCAFXCB-AATRIKPKSA-N 0 0 407.149 6.801 40 30 HKEBRN Cc1ccc(C(C)C)c(OCc2nc3ccccc3c(=O)n2N=C2CCCCC2)c1 ZINC000016291144 559078657 /nfs/dbraw/zinc/07/86/57/559078657.db2.gz AVZIJGIXDGCERK-UHFFFAOYSA-N 0 0 403.526 5.576 40 30 HKEBRN Cc1ccc(/N=C/N(Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccc(C)cc2)cc1 ZINC000016291601 558783976 /nfs/dbraw/zinc/78/39/76/558783976.db2.gz BYOSFKNGNXZXAD-HYARGMPZSA-N 0 0 422.466 5.994 40 30 HKEBRN COc1ccccc1/C=C1\S/C(=N\c2ccc(C)cc2)N(c2ccc(C)cc2)C1=O ZINC000016291621 558783953 /nfs/dbraw/zinc/78/39/53/558783953.db2.gz ASECEIZNZNPQCK-JTUXUYRKSA-N 0 0 414.530 6.121 40 30 HKEBRN Cc1ccc(C(=O)C=C(CC(=O)c2ccc(Br)cc2)c2ccccc2)cc1 ZINC000016291678 558783895 /nfs/dbraw/zinc/78/38/95/558783895.db2.gz XGPCRWPAWJXDGA-RCCKNPSSSA-N 0 0 419.318 6.297 40 30 HKEBRN Cc1ccc(C(=O)Nc2cc(Cl)c([C@@H](C#N)c3ccc(Cl)cc3)cc2C)cc1 ZINC000016292032 558784188 /nfs/dbraw/zinc/78/41/88/558784188.db2.gz WYWFVBOBTVSSJS-FQEVSTJZSA-N 0 0 409.316 6.518 40 30 HKEBRN Cc1ccc(C(=O)Nc2cc(Cl)c([C@H](C#N)c3ccc(Cl)cc3)cc2C)cc1 ZINC000016292034 558784228 /nfs/dbraw/zinc/78/42/28/558784228.db2.gz WYWFVBOBTVSSJS-HXUWFJFHSA-N 0 0 409.316 6.518 40 30 HKEBRN C#CCOc1ccc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)cc1Cl ZINC000016292264 569005356 /nfs/dbraw/zinc/00/53/56/569005356.db2.gz SQGSTCAXXBDJMN-UNOMPAQXSA-N 0 0 413.951 5.062 40 30 HKEBRN C=CCOc1ccc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)cc1Cl ZINC000016292268 569005247 /nfs/dbraw/zinc/00/52/47/569005247.db2.gz PCJLEJLDIMUATG-UNOMPAQXSA-N 0 0 415.967 5.615 40 30 HKEBRN Cc1cc(C)nc(S/C(=N/c2cc([N+](=O)[O-])ccc2C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000016311747 558785520 /nfs/dbraw/zinc/78/55/20/558785520.db2.gz ICVWMYYFZFOMMY-FCDQGJHFSA-N 0 0 423.454 5.089 40 30 HKEBRN Cc1cc(Br)cc(/C=N/c2cc(-c3nc4ccccc4[nH]3)ccc2C)c1O ZINC000016311753 558785547 /nfs/dbraw/zinc/78/55/47/558785547.db2.gz FXTNFTHTDFBVJU-WYMPLXKRSA-N 0 0 420.310 6.065 40 30 HKEBRN COc1ccc(Br)cc1/C=N/c1cc(-c2nc3ccccc3[nH]2)ccc1C ZINC000016311768 558785574 /nfs/dbraw/zinc/78/55/74/558785574.db2.gz GZEARZHHHNNMNR-ZMOGYAJESA-N 0 0 420.310 6.060 40 30 HKEBRN Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3ccccc3C#N)o2)cc1Cl ZINC000016313030 569031289 /nfs/dbraw/zinc/03/12/89/569031289.db2.gz LJTPEZAVVNGONL-PKNBQFBNSA-N 0 0 421.909 5.307 40 30 HKEBRN CC(=O)Nc1cccc(/N=C/c2cc(Cc3ccccc3)cc(Br)c2O)c1 ZINC000016321517 558786193 /nfs/dbraw/zinc/78/61/93/558786193.db2.gz APCKNDBZZFVZER-ZVHZXABRSA-N 0 0 423.310 5.455 40 30 HKEBRN Cc1c(/N=C/c2ccc(-c3ccc(C)c(Cl)c3)o2)c(=O)n(-c2ccccc2)n1C ZINC000016346859 558787160 /nfs/dbraw/zinc/78/71/60/558787160.db2.gz KXSKMJFGGQAUHM-AFUMVMLFSA-N 0 0 405.885 5.457 40 30 HKEBRN Cc1cccc(C(=O)Nc2ccc(/N=C/c3cc(Br)cc(C)c3O)cc2)c1 ZINC000016349125 558787518 /nfs/dbraw/zinc/78/75/18/558787518.db2.gz CHXBCPLEKSEMRP-ZMOGYAJESA-N 0 0 423.310 5.774 40 30 HKEBRN Cc1cccc(-c2ccc(Oc3cc(C#N)c(C#N)cc3N3CCCCCC3)c(C)c2)c1 ZINC000016349851 558787704 /nfs/dbraw/zinc/78/77/04/558787704.db2.gz PMCIOUDARAOVHD-UHFFFAOYSA-N 0 0 421.544 6.887 40 30 HKEBRN Cc1cc(/C=C2\S/C(=N\c3ccc(F)cc3)NC2=O)c(C)n1-c1c(C)cccc1C ZINC000016362413 558788075 /nfs/dbraw/zinc/78/80/75/558788075.db2.gz LHSSGKPVKFAQCK-BKUYFWCQSA-N 0 0 419.525 5.742 40 30 HKEBRN Cc1cc([C@@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)c1ccccc1C ZINC000016362600 558788122 /nfs/dbraw/zinc/78/81/22/558788122.db2.gz OFQKHOLWVADFGP-FQEVSTJZSA-N 0 0 409.316 6.518 40 30 HKEBRN Cc1cc([C@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)c1ccccc1C ZINC000016362602 558788153 /nfs/dbraw/zinc/78/81/53/558788153.db2.gz OFQKHOLWVADFGP-HXUWFJFHSA-N 0 0 409.316 6.518 40 30 HKEBRN Clc1ccc(/C=N/CCCC/N=C/c2ccc(Cl)c(Cl)c2)cc1Cl ZINC000016384261 558789038 /nfs/dbraw/zinc/78/90/38/558789038.db2.gz FSBISORPFSNMPU-ASIDMNOUSA-N 0 0 402.152 6.618 40 30 HKEBRN Clc1ccc(/C=N/CCCC/N=C/c2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000016384854 558789313 /nfs/dbraw/zinc/78/93/13/558789313.db2.gz SQZAGFRGAWXZJC-ASIDMNOUSA-N 0 0 402.152 6.618 40 30 HKEBRN NC(=S)N/N=C/c1cc(Cl)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000016384967 558789219 /nfs/dbraw/zinc/78/92/19/558789219.db2.gz RVKLOTBGSADEIT-AERZKKPOSA-N 0 0 423.152 5.046 40 30 HKEBRN Clc1ccc(COc2c(Cl)cc(Cl)cc2/C=N/n2cnnc2)c(Cl)c1 ZINC000016384970 558789276 /nfs/dbraw/zinc/78/92/76/558789276.db2.gz XFRZUKSYVYLNSL-TXNBCWFRSA-N 0 0 416.095 5.353 40 30 HKEBRN N#CC(=CNNc1cc(Cl)ccc1Cl)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000016385348 558789321 /nfs/dbraw/zinc/78/93/21/558789321.db2.gz CLMFDPIDNNPWAK-BDEDQBALSA-N 0 0 416.095 5.476 40 30 HKEBRN N#CC(=CNNc1cc(Cl)ccc1Cl)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000016385351 558789264 /nfs/dbraw/zinc/78/92/64/558789264.db2.gz CLMFDPIDNNPWAK-XKYMNGEHSA-N 0 0 416.095 5.476 40 30 HKEBRN N#[N+][N-][C@H]1CCCCCCCCCCC1N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000016385839 558789188 /nfs/dbraw/zinc/78/91/88/558789188.db2.gz GCUGLPUBGZZLTN-WLVMFVESSA-N 0 0 403.443 5.864 40 30 HKEBRN N#[N+][N-][C@@H]1CCCCCCCCCCC1N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000016385842 558789197 /nfs/dbraw/zinc/78/91/97/558789197.db2.gz GCUGLPUBGZZLTN-MURKYSCBSA-N 0 0 403.443 5.864 40 30 HKEBRN O=C(/C=C/N1C=CC(=Cc2ccc([N+](=O)[O-])cc2)C=C1)c1cccc(Br)c1 ZINC000016386120 558789305 /nfs/dbraw/zinc/78/93/05/558789305.db2.gz VZYXMUQRRVWZMF-JLHYYAGUSA-N 0 0 423.266 5.480 40 30 HKEBRN Clc1ccc(C(=CC=Nc2cccc(Cl)c2)Nc2cccc(Cl)c2)cc1 ZINC000016398868 558789527 /nfs/dbraw/zinc/78/95/27/558789527.db2.gz RKBWMTDSKPNPDI-GVYGDHJUSA-N 0 0 401.724 7.502 40 30 HKEBRN Clc1cccc(-c2ccc(C=NNc3ccc(I)cc3)o2)c1 ZINC000016399057 526970738 /nfs/dbraw/zinc/97/07/38/526970738.db2.gz WMEFMLAYLODHCZ-RGVLZGJSSA-N 0 0 422.653 5.651 40 30 HKEBRN Clc1ccc(N=CCC(=Nc2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1 ZINC000016400091 558789719 /nfs/dbraw/zinc/78/97/19/558789719.db2.gz RJDZDTMMAXABRO-HNCIKHADSA-N 0 0 401.724 7.393 40 30 HKEBRN Brc1ccc(/C=N/CCCC/N=C/c2ccc(Br)cc2)cc1 ZINC000016400322 558789671 /nfs/dbraw/zinc/78/96/71/558789671.db2.gz WWIXOSRBXXXTFR-JFMUQQRKSA-N 0 0 422.164 5.530 40 30 HKEBRN O=C(/C=C/Sc1ccc(F)c(Cl)c1)c1ccc(I)cc1 ZINC000016400600 527599704 /nfs/dbraw/zinc/59/97/04/527599704.db2.gz WMIOBEHPXKSGOQ-BQYQJAHWSA-N 0 0 418.658 5.572 40 30 HKEBRN O=C(C=CNc1ccc(C(F)(F)F)cc1)c1ccc(I)cc1 ZINC000016400621 527652829 /nfs/dbraw/zinc/65/28/29/527652829.db2.gz NXTIAMZHBNHTBZ-KTKRTIGZSA-N 0 0 417.168 5.119 40 30 HKEBRN N#CN=C(SCC(=O)c1ccc(Cl)cc1)SCC(=O)c1ccc(Cl)cc1 ZINC000016400708 558789894 /nfs/dbraw/zinc/78/98/94/558789894.db2.gz TVAGMHRZSUPPCX-UHFFFAOYSA-N 0 0 423.346 5.362 40 30 HKEBRN O=C(/C=C/N1C=CC(=Cc2ccc([N+](=O)[O-])cc2)C=C1)c1ccc(Br)cc1 ZINC000016401309 558789865 /nfs/dbraw/zinc/78/98/65/558789865.db2.gz WQBCPUZWVPHWFA-SDNWHVSQSA-N 0 0 423.266 5.480 40 30 HKEBRN Fc1c(F)c(F)c(N=NCc2ccc(-c3cc(Cl)cc(Cl)c3)o2)c(F)c1F ZINC000016430388 526293643 /nfs/dbraw/zinc/29/36/43/526293643.db2.gz QMGDMGOLMGYPSG-HGBQSQDTSA-N 0 0 421.152 6.395 40 30 HKEBRN Oc1ccccc1/C=N/c1ccc2oc(-c3c(F)c(F)c(F)c(F)c3F)nc2c1 ZINC000016449088 558791946 /nfs/dbraw/zinc/79/19/46/558791946.db2.gz QKXCEVSSLMNVAZ-MWRNPHMMSA-N 0 0 404.294 5.647 40 30 HKEBRN O=C(Oc1ccc(/C=N\c2ccc3c4c(cccc42)CC3)cc1)c1ccccc1Cl ZINC000016449421 558791968 /nfs/dbraw/zinc/79/19/68/558791968.db2.gz JQCFENOYXYXETN-NTFVMDSBSA-N 0 0 411.888 6.562 40 30 HKEBRN O=[N+]([O-])c1ccc(NCCC/N=C/c2cc(Cc3ccccc3Cl)ccc2O)cc1 ZINC000016450175 558792221 /nfs/dbraw/zinc/79/22/21/558792221.db2.gz PZJOTKKWBUMEEN-PCLIKHOPSA-N 0 0 423.900 5.466 40 30 HKEBRN S=c1ss/c(=N\C(=N/c2ccccc2)c2ccccc2)n1-c1ccccc1 ZINC000016450736 558943402 /nfs/dbraw/zinc/94/34/02/558943402.db2.gz FJPXMHIJROTFCE-IKJQKJQYSA-N 0 0 405.573 6.009 40 30 HKEBRN Oc1ccccc1[C@@H](/N=C/c1ccccc1)[C@@H](/N=C/c1ccccc1)c1ccccc1O ZINC000016450987 526375916 /nfs/dbraw/zinc/37/59/16/526375916.db2.gz MEEPXMIKAVXUMF-DUERETCSSA-N 0 0 420.512 6.118 40 30 HKEBRN S=C(Nc1ccc(Cl)cc1)Nc1ccccc1NCC#CC#Cc1ccccc1 ZINC000016451150 569005330 /nfs/dbraw/zinc/00/53/30/569005330.db2.gz ILAIYNHBOHPONS-UHFFFAOYSA-N 0 0 415.949 5.616 40 30 HKEBRN N#CC1(C#N)[C@H]2c3ccccc3C=CN2[C@H](C(=O)c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000016476888 558793330 /nfs/dbraw/zinc/79/33/30/558793330.db2.gz BGLCVBRWZGJXCN-RMTZWNOUSA-N 0 0 419.459 5.236 40 30 HKEBRN N#Cc1ccc(SC(c2ccccc2)(c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000016477651 569053699 /nfs/dbraw/zinc/05/36/99/569053699.db2.gz QJYDCRRNBBRFOR-UHFFFAOYSA-N 0 0 422.509 6.551 40 30 HKEBRN O=[N+]([O-])c1ccc(SN(/C=N/Cc2ccccc2)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000016477867 558793793 /nfs/dbraw/zinc/79/37/93/558793793.db2.gz WPGZBKVOPJQYOY-CJLVFECKSA-N 0 0 422.466 5.241 40 30 HKEBRN N#C/N=C(/S/C=C/C(=O)c1ccc(Br)cc1)SCc1ccccc1 ZINC000016480830 558794042 /nfs/dbraw/zinc/79/40/42/558794042.db2.gz DCNPAPAEZDSSEA-SDMMKSMRSA-N 0 0 417.353 5.649 40 30 HKEBRN Oc1c(Cl)cc(Cc2ccccc2)cc1/C=N/c1ccc(N2CCOCC2)cc1 ZINC000016480943 558794037 /nfs/dbraw/zinc/79/40/37/558794037.db2.gz HCOJDAAFQZUGME-YZSQISJMSA-N 0 0 406.913 5.224 40 30 HKEBRN O=[N+]([O-])c1cc(/C=C/C=N\c2ccc(Nc3ccccc3)cc2)ccc1Br ZINC000016490521 558794591 /nfs/dbraw/zinc/79/45/91/558794591.db2.gz SHNKDHXIGPBQOT-VPXYCZFYSA-N 0 0 422.282 6.517 40 30 HKEBRN C(=NN=c1[nH]c2ccccc2s1)c1cn(CCOc2ccccc2)c2ccccc12 ZINC000016490758 560860990 /nfs/dbraw/zinc/86/09/90/560860990.db2.gz SVVVLPJPCVXILH-XYGWBWBKSA-N 0 0 412.518 5.776 40 30 HKEBRN N#C[C@H]1[C@H](c2ccccc2)[C@](C#N)(C(=O)c2ccc(F)cc2)[C@@H]2C=Cc3ccccc3N12 ZINC000016491712 558794790 /nfs/dbraw/zinc/79/47/90/558794790.db2.gz VAJNCOVPZBJELG-MVVJZGTDSA-N 0 0 419.459 5.110 40 30 HKEBRN N#C[C@H]1[C@H](c2ccccc2)[C@](C#N)(C(=O)c2ccccc2F)[C@@H]2C=Cc3ccccc3N12 ZINC000016491716 558794794 /nfs/dbraw/zinc/79/47/94/558794794.db2.gz UTMFFJBYXXYMIB-MVVJZGTDSA-N 0 0 419.459 5.110 40 30 HKEBRN O=C1OC(c2ccco2)NC1=CN=Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1 ZINC000016492699 558794752 /nfs/dbraw/zinc/79/47/52/558794752.db2.gz UIFKBCXNBIQAFR-MFKUBSTISA-N 0 0 423.432 5.210 40 30 HKEBRN N#Cc1c(=O)oc(-c2nc(-c3ccccc3)n(-c3ccccc3)n2)cc1-c1ccccc1 ZINC000016492753 569055766 /nfs/dbraw/zinc/05/57/66/569055766.db2.gz VHBNLFJYEUDGJS-UHFFFAOYSA-N 0 0 416.440 5.093 40 30 HKEBRN O=C(/C=C\Sc1nc(-c2ccccc2)cs1)c1ccc(Br)cc1 ZINC000016493352 558794761 /nfs/dbraw/zinc/79/47/61/558794761.db2.gz VUWOZSCMUUWPCQ-KHPPLWFESA-N 0 0 402.338 6.061 40 30 HKEBRN N#Cc1c(C(F)(F)F)cc(-c2cccs2)nc1SCc1nc2ccccc2[nH]1 ZINC000016525078 569058463 /nfs/dbraw/zinc/05/84/63/569058463.db2.gz IWIUZWIVKICPOX-UHFFFAOYSA-N 0 0 416.453 5.869 40 30 HKEBRN O=C1c2ccccc2C(=O)C1=Cc1cn(Cc2cccc([N+](=O)[O-])c2)c2ccccc12 ZINC000016525452 527128875 /nfs/dbraw/zinc/12/88/75/527128875.db2.gz WCHCXUGZEZSVNU-UHFFFAOYSA-N 0 0 408.413 5.060 40 30 HKEBRN Oc1ccc2ccccc2c1/C=N/c1ccc2oc(-c3ccc(F)cc3Cl)nc2c1 ZINC000016525809 558795317 /nfs/dbraw/zinc/79/53/17/558795317.db2.gz DXBKBNBWFFDGEP-UVHMKAGCSA-N 0 0 416.839 6.897 40 30 HKEBRN Clc1ccccc1COc1ccc2ccccc2c1/C=N/c1cccc2ccccc21 ZINC000016526181 558795517 /nfs/dbraw/zinc/79/55/17/558795517.db2.gz AGEZMGVOMOWTDI-UXHLAJHPSA-N 0 0 421.927 7.976 40 30 HKEBRN O=C1C=CC(=NNc2ccccc2Cl)C=C1C=[NH+][N-]c1nc2ccccc2s1 ZINC000016545391 558795554 /nfs/dbraw/zinc/79/55/54/558795554.db2.gz MJBSQIBAZLCWAD-NNYIQMIKSA-N 0 0 407.886 6.517 40 30 HKEBRN O=[N+]([O-])c1ccc(NCCCN=C2c3ccccc3Cc3ccccc32)c(Cl)c1 ZINC000016545896 558795602 /nfs/dbraw/zinc/79/56/02/558795602.db2.gz SOUHVCMVNDEDMW-UHFFFAOYSA-N 0 0 405.885 5.492 40 30 HKEBRN CC1(C)CC(N=Nc2ccccc2)=C2C(C1)O[C@@H]([N+](=O)[O-])[C@H]2c1ccc(Cl)cc1 ZINC000016577833 520288838 /nfs/dbraw/zinc/28/88/38/520288838.db2.gz ZZURGLVLOGGSOR-BPZWNLCQSA-N 0 0 411.889 5.599 40 30 HKEBRN COc1ccc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cc1Cl ZINC000016577913 523882015 /nfs/dbraw/zinc/88/20/15/523882015.db2.gz XUSSCHFOQPUZTI-UHFFFAOYSA-N 0 0 414.929 5.749 40 30 HKEBRN CC1(C)CC(=O)C2=C(C1)Nc1ccc3ccccc3c1[C@@H]2c1c(Cl)cccc1Cl ZINC000016578012 558796265 /nfs/dbraw/zinc/79/62/65/558796265.db2.gz KZHHIYRHKMOZSC-XMMPIXPASA-N 0 0 422.355 7.347 40 30 HKEBRN CC1(C)CC(=O)C2=C(C1)Nc1ccc3ccccc3c1[C@H]2c1c(Cl)cccc1Cl ZINC000016578015 520260478 /nfs/dbraw/zinc/26/04/78/520260478.db2.gz KZHHIYRHKMOZSC-DEOSSOPVSA-N 0 0 422.355 7.347 40 30 HKEBRN CC1(C)CC(=O)C2=C(C1)Nc1c3ccccc3ccc1[C@@H]2c1c(Cl)cccc1Cl ZINC000016578019 558796270 /nfs/dbraw/zinc/79/62/70/558796270.db2.gz NZFWBJPAMGGFMQ-OAQYLSRUSA-N 0 0 422.355 7.347 40 30 HKEBRN CC1(C)CC(=O)C2=C(C1)Nc1c3ccccc3ccc1[C@H]2c1c(Cl)cccc1Cl ZINC000016578020 558796290 /nfs/dbraw/zinc/79/62/90/558796290.db2.gz NZFWBJPAMGGFMQ-NRFANRHFSA-N 0 0 422.355 7.347 40 30 HKEBRN CC1(C)CC(=O)C2=C(C1)[C@@H](c1cccc(C(F)(F)F)c1)Nc1ccc3ccccc3c12 ZINC000016578027 558796301 /nfs/dbraw/zinc/79/63/01/558796301.db2.gz UWOFKJCTRKFGPQ-XMMPIXPASA-N 0 0 421.462 7.168 40 30 HKEBRN CC1(C)CC(=O)C2=C(C1)[C@H](c1cccc(C(F)(F)F)c1)Nc1ccc3ccccc3c12 ZINC000016578030 558796291 /nfs/dbraw/zinc/79/62/91/558796291.db2.gz UWOFKJCTRKFGPQ-DEOSSOPVSA-N 0 0 421.462 7.168 40 30 HKEBRN COc1ccc(-c2c3c(nc4c2/C(=N/O)CC(C)(C)C4)CC(C)(C)C/C3=N\O)cc1 ZINC000016578233 558796275 /nfs/dbraw/zinc/79/62/75/558796275.db2.gz WZPXFQLZVAITEO-BFNWXZRRSA-N 0 0 407.514 5.059 40 30 HKEBRN C[C@@]12OC(c3ccccc3)=CC(c3ccc(Cl)cc3)=C1C(c1ccccc1)=CC2=O ZINC000016605586 569060568 /nfs/dbraw/zinc/06/05/68/569060568.db2.gz HZUTYPQMKGUNQK-MHZLTWQESA-N 0 0 410.900 6.590 40 30 HKEBRN C[C@]12OC(c3ccccc3)=CC(c3ccc(Cl)cc3)=C1C(c1ccccc1)=CC2=O ZINC000016605589 525356093 /nfs/dbraw/zinc/35/60/93/525356093.db2.gz HZUTYPQMKGUNQK-HHHXNRCGSA-N 0 0 410.900 6.590 40 30 HKEBRN COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000016609395 569060623 /nfs/dbraw/zinc/06/06/23/569060623.db2.gz BEGJXUKMHNFNRY-DUMNWFOQSA-N 0 0 421.349 5.712 40 30 HKEBRN Cc1ccc(-c2csc(N=NCc3ccc(OC(=O)c4ccccc4)cc3)n2)cc1 ZINC000016663004 571308043 /nfs/dbraw/zinc/30/80/43/571308043.db2.gz PZAMWLMNEUVGBS-MFKUBSTISA-N 0 0 413.502 5.784 40 30 HKEBRN Cc1ccc(-c2csc(N=NCc3cccc(OCc4ccc(F)cc4)c3)n2)cc1 ZINC000016663031 569362275 /nfs/dbraw/zinc/36/22/75/569362275.db2.gz DPFSIERFWPCJDJ-VULFUBBASA-N 0 0 417.509 6.283 40 30 HKEBRN Cn1cc(/C=C2/S/C(=N\c3ccc(Cl)cc3Cl)NC2=O)c2ccccc21 ZINC000016666712 527144888 /nfs/dbraw/zinc/14/48/88/527144888.db2.gz OGRRQBBMASQBNN-CAOOACKPSA-N 0 0 402.306 5.377 40 30 HKEBRN Clc1ccc(COc2cccc(CN=Nc3nc(-c4ccccc4)cs3)c2)cc1 ZINC000016676016 569362339 /nfs/dbraw/zinc/36/23/39/569362339.db2.gz LOMAXJVSKSKZMW-AFUMVMLFSA-N 0 0 419.937 6.489 40 30 HKEBRN Fc1ccc(COc2cccc(CN=Nc3nc(-c4ccccc4)cs3)c2)cc1 ZINC000016676018 569362396 /nfs/dbraw/zinc/36/23/96/569362396.db2.gz OSZDCLAVXBSKBU-AFUMVMLFSA-N 0 0 403.482 5.974 40 30 HKEBRN Clc1ccccc1COc1cccc(CN=Nc2nc(-c3ccccc3)cs2)c1 ZINC000016676025 569362387 /nfs/dbraw/zinc/36/23/87/569362387.db2.gz BATKYRAUGOBHRE-AFUMVMLFSA-N 0 0 419.937 6.489 40 30 HKEBRN CCN(CC)c1ccc(/N=C2\C(C)=Nn3c4cc(Cl)c(Cl)cc4nc32)c(C)c1 ZINC000016678174 558799042 /nfs/dbraw/zinc/79/90/42/558799042.db2.gz RPAPGZUQMOVJNP-HIXSDJFHSA-N 0 0 414.340 5.856 40 30 HKEBRN CCN(CC)c1ccc(/N=C2/c3nc4ccccc4n3N=C2c2ccccc2)c(C)c1 ZINC000016678178 558799061 /nfs/dbraw/zinc/79/90/61/558799061.db2.gz VKLYARYLWFEIQO-IMVLJIQESA-N 0 0 407.521 5.578 40 30 HKEBRN CCN(CC)c1ccc(/N=C2\C(C)=Nn3c4cc(Cl)c(Cl)cc4nc32)cc1 ZINC000016678188 520885125 /nfs/dbraw/zinc/88/51/25/520885125.db2.gz AINVHSWIBUAXPU-FCDQGJHFSA-N 0 0 400.313 5.548 40 30 HKEBRN CCN(CC)c1ccc(/N=C2\c3nnc(-c4ccccc4)n3N=C2c2ccccc2)cc1 ZINC000016678498 558799031 /nfs/dbraw/zinc/79/90/31/558799031.db2.gz NHDWTEAGBQAFHK-PNHLSOANSA-N 0 0 420.520 5.178 40 30 HKEBRN CCN(CC)c1ccc(N=C2C(=O)N(c3ccccc3)N=C2Nc2ccccc2)cc1 ZINC000016678506 558799045 /nfs/dbraw/zinc/79/90/45/558799045.db2.gz BXHVMJKGBLNZEW-RWEWTDSWSA-N 0 0 411.509 5.078 40 30 HKEBRN CCN(CC)c1ccc(/N=C2/C=C(C(=O)Oc3ccccc3)C(=O)c3ccccc32)cc1 ZINC000016678512 558799274 /nfs/dbraw/zinc/79/92/74/558799274.db2.gz LWQHLNWUODCBSH-FVDSYPCUSA-N 0 0 424.500 5.382 40 30 HKEBRN C=CCOc1ccc(Cl)cc1C1C2=C(CCCC2=O)N(CC)C2=C1C(=O)CCC2 ZINC000016681479 558799270 /nfs/dbraw/zinc/79/92/70/558799270.db2.gz MUUQQTORZCIWLK-UHFFFAOYSA-N 0 0 411.929 5.338 40 30 HKEBRN CCOc1cc(CN=Nc2nc(C)cs2)ccc1OCc1ccc(Cl)cc1 ZINC000016684002 569362316 /nfs/dbraw/zinc/36/23/16/569362316.db2.gz ZKHYENNXSYTASY-SSDVNMTOSA-N 0 0 401.919 5.529 40 30 HKEBRN CCO[C@@H]1Oc2ccc(Br)cc2C(=O)C1=CNc1ccc(Cl)cc1 ZINC000016687951 520456858 /nfs/dbraw/zinc/45/68/58/520456858.db2.gz IUNYXQNTLCANRB-QWSHFYNQSA-N 0 0 408.679 5.036 40 30 HKEBRN CCO[C@H]1Oc2ccc(Br)cc2C(=O)C1=CNc1ccc(Cl)cc1 ZINC000016687952 558799962 /nfs/dbraw/zinc/79/99/62/558799962.db2.gz IUNYXQNTLCANRB-BXBOZWQASA-N 0 0 408.679 5.036 40 30 HKEBRN CCO[C@@H]1Oc2ccc(Cl)cc2C(=O)C1=CN=c1[nH]c2c(cccc2Cl)s1 ZINC000016687958 558799979 /nfs/dbraw/zinc/79/99/79/558799979.db2.gz AFVVCISJKTUEPY-ZVBPTUHVSA-N 0 0 421.305 5.537 40 30 HKEBRN CCO[C@H]1Oc2ccc(Cl)cc2C(=O)C1=CN=c1[nH]c2c(cccc2Cl)s1 ZINC000016687959 520587987 /nfs/dbraw/zinc/58/79/87/520587987.db2.gz AFVVCISJKTUEPY-DVESRUBUSA-N 0 0 421.305 5.537 40 30 HKEBRN CCOc1cc(Br)c(Br)c(/C=N/c2ccccc2F)c1O ZINC000016688130 558799910 /nfs/dbraw/zinc/79/99/10/558799910.db2.gz QMXASDYXHSEHOO-UFWORHAWSA-N 0 0 417.072 5.206 40 30 HKEBRN C=CCOc1cc(Cl)c([C@@H]2CC(=O)Nc3ccc4ccccc4c32)cc1OCC ZINC000016688185 559079038 /nfs/dbraw/zinc/07/90/38/559079038.db2.gz QHHDQNAZYPRCAP-SFHVURJKSA-N 0 0 407.897 5.931 40 30 HKEBRN C=CCOc1cc(Cl)c([C@H]2CC(=O)Nc3ccc4ccccc4c32)cc1OCC ZINC000016688186 559079036 /nfs/dbraw/zinc/07/90/36/559079036.db2.gz QHHDQNAZYPRCAP-GOSISDBHSA-N 0 0 407.897 5.931 40 30 HKEBRN CCOc1cc(Cl)cc(/C=N/c2cc(-c3nc4ccccc4o3)ccc2OC)c1O ZINC000016688202 558799937 /nfs/dbraw/zinc/79/99/37/558799937.db2.gz ZDKKBTPVFYMMHQ-DHRITJCHSA-N 0 0 422.868 6.012 40 30 HKEBRN CCOc1cc(Cl)cc(/C=N/c2ccc(-c3nc4ccc(C)cc4s3)cc2)c1O ZINC000016688211 558799994 /nfs/dbraw/zinc/79/99/94/558799994.db2.gz NEQNOSWGXADXFN-DHRITJCHSA-N 0 0 422.937 6.780 40 30 HKEBRN CCOc1cc(Br)cc(/C=N\c2ccc(N3CCCCC3)cc2)c1O ZINC000016688240 558799890 /nfs/dbraw/zinc/79/98/90/558799890.db2.gz BOTFUNPFJALNTM-HMAPJEAMSA-N 0 0 403.320 5.294 40 30 HKEBRN C=CCOc1ccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1OCC ZINC000016688999 569005359 /nfs/dbraw/zinc/00/53/59/569005359.db2.gz PDHRZDBCSGQHKK-ZHZULCJRSA-N 0 0 411.548 5.052 40 30 HKEBRN CCOc1cc(/C=N/c2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(F)cc1 ZINC000016689090 520643961 /nfs/dbraw/zinc/64/39/61/520643961.db2.gz JWTFFCGDMSBXAD-LGJNPRDNSA-N 0 0 418.295 6.861 40 30 HKEBRN CCOc1cccc(/C=N/c2ccc(Cl)c(Cl)c2)c1OCc1ccc(F)cc1 ZINC000016693325 558800457 /nfs/dbraw/zinc/80/04/57/558800457.db2.gz YESRSFBRFWDJSO-LGJNPRDNSA-N 0 0 418.295 6.861 40 30 HKEBRN Cc1nc(N=NCc2cccc(OCc3ccc(Cl)c(Cl)c3)c2)sc1C ZINC000016696178 569362332 /nfs/dbraw/zinc/36/23/32/569362332.db2.gz ALSNRTCCZMVJKB-LSHDLFTRSA-N 0 0 406.338 6.092 40 30 HKEBRN Cc1nc(N=NCc2cccc(OCc3ccc(Cl)cc3Cl)c2)sc1C ZINC000016696184 569362313 /nfs/dbraw/zinc/36/23/13/569362313.db2.gz AQEOLBOVFCSABN-LSHDLFTRSA-N 0 0 406.338 6.092 40 30 HKEBRN C/C(=N\N=c1/scc(-c2ccccc2)n1Cc1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000016711368 558801683 /nfs/dbraw/zinc/80/16/83/558801683.db2.gz QUKMNNOMOJBFTF-NGAXQJCKSA-N 0 0 418.478 5.091 40 30 HKEBRN C=CCn1c(-c2ccc(Cl)cc2Cl)cs/c1=N\c1cccc2ccccc21 ZINC000016711382 569005385 /nfs/dbraw/zinc/00/53/85/569005385.db2.gz JYRIZQSHQFRKKY-LVWGJNHUSA-N 0 0 411.357 7.095 40 30 HKEBRN C/C(=N\N=c1/scc(-c2ccccc2)n1CCc1ccccc1)c1ccc(F)cc1 ZINC000016711542 558801910 /nfs/dbraw/zinc/80/19/10/558801910.db2.gz MEHHQFMTQKIONT-CKVXONSUSA-N 0 0 415.537 5.923 40 30 HKEBRN CS/C(=N\c1ccccc1)c1c(-c2ccccc2)c(C)n2c3ccccc3n(C)c12 ZINC000016739580 558803196 /nfs/dbraw/zinc/80/31/96/558803196.db2.gz LPNMMWKHYGMKJH-RFBIWTDZSA-N 0 0 409.558 6.848 40 30 HKEBRN O=C(CC1SC(=Nc2ccccc2)N(c2ccccc2)C1=O)c1ccc(Cl)cc1 ZINC000016739615 558803118 /nfs/dbraw/zinc/80/31/18/558803118.db2.gz YHGLDNGIKVHRHT-KFHWJWAOSA-N 0 0 420.921 5.749 40 30 HKEBRN O=C(CC1SC(=Nc2ccccc2)N(c2ccccc2)C1=O)c1ccc(Cl)cc1 ZINC000016739616 558803131 /nfs/dbraw/zinc/80/31/31/558803131.db2.gz YHGLDNGIKVHRHT-VXJVBQPQSA-N 0 0 420.921 5.749 40 30 HKEBRN Cc1ccc(-c2cs/c(=N\N=C\c3ccc4c(c3)OCO4)n2-c2ccccc2)cc1 ZINC000016740053 569262056 /nfs/dbraw/zinc/26/20/56/569262056.db2.gz AYHWCRGGRWJGMP-HLMATHERSA-N 0 0 413.502 5.178 40 30 HKEBRN O=C(/C=C/c1ccc(OC(F)(F)F)cc1)c1ccc(I)cc1 ZINC000016740835 559079144 /nfs/dbraw/zinc/07/91/44/559079144.db2.gz CVHXWCSXUJZPML-XCVCLJGOSA-N 0 0 418.152 5.086 40 30 HKEBRN Cc1nc2sccn2c1/C=N/Nc1nnc(-c2ccc(C)c(C)c2)c2ccccc21 ZINC000016756524 527209537 /nfs/dbraw/zinc/20/95/37/527209537.db2.gz XWKRIQKMKLXZSZ-ZMOGYAJESA-N 0 0 412.522 5.377 40 30 HKEBRN C=CCN1C(=O)[C@@H](CC(=O)c2cccs2)S/C1=N\c1cccc2ccccc21 ZINC000016758331 558806151 /nfs/dbraw/zinc/80/61/51/558806151.db2.gz WVZAXRVHZJYWSM-UXDFZSADSA-N 0 0 406.532 5.292 40 30 HKEBRN C=CCN1C(=O)[C@H](CC(=O)c2cccs2)S/C1=N\c1cccc2ccccc21 ZINC000016758333 558806050 /nfs/dbraw/zinc/80/60/50/558806050.db2.gz WVZAXRVHZJYWSM-LPNGOHTBSA-N 0 0 406.532 5.292 40 30 HKEBRN C=CCn1c(CSc2ccc(C)cc2)nn(CC(=O)Nc2ccc(C)cc2)c1=S ZINC000016769567 569262699 /nfs/dbraw/zinc/26/26/99/569262699.db2.gz JAOUAZUGSBJIKI-UHFFFAOYSA-N 0 0 424.595 5.148 40 30 HKEBRN C=CCn1c(CSc2ccc(C)cc2)nn(CC(=O)Nc2cccc(C)c2)c1=S ZINC000016769569 569262625 /nfs/dbraw/zinc/26/26/25/569262625.db2.gz FISSYSMMMVLNPO-UHFFFAOYSA-N 0 0 424.595 5.148 40 30 HKEBRN C=CCn1c(CSc2ccc(C)cc2)nn(CC(=O)Nc2ccccc2C)c1=S ZINC000016769576 569262718 /nfs/dbraw/zinc/26/27/18/569262718.db2.gz HQTXHQNBRHWDNL-UHFFFAOYSA-N 0 0 424.595 5.148 40 30 HKEBRN C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1c(F)cccc1F ZINC000016789269 569005427 /nfs/dbraw/zinc/00/54/27/569005427.db2.gz AXSXVCLFNMOSNW-UHFFFAOYSA-N 0 0 407.873 5.267 40 30 HKEBRN Brc1ccc2[nH]cc(/C=N\N=C3c4ccccc4-c4ccccc43)c2c1 ZINC000016921064 558809218 /nfs/dbraw/zinc/80/92/18/558809218.db2.gz JWNYHTRMGJXGLY-MXAYSNPKSA-N 0 0 400.279 5.782 40 30 HKEBRN Ic1ccc(/C=N\N=C2c3ccccc3-c3ccccc32)cc1 ZINC000016921069 526427180 /nfs/dbraw/zinc/42/71/80/526427180.db2.gz WFXWJSNSLNMUGG-XKZIYDEJSA-N 0 0 408.242 5.143 40 30 HKEBRN Ic1cccc(/C=N\N=C2c3ccccc3-c3ccccc32)c1 ZINC000016921074 558809185 /nfs/dbraw/zinc/80/91/85/558809185.db2.gz HANQTVRPUGXKFU-XKZIYDEJSA-N 0 0 408.242 5.143 40 30 HKEBRN S=C(N/N=C\c1c2ccccc2cc2ccccc21)NC12CC3CC(CC(C3)C1)C2 ZINC000016922656 526383331 /nfs/dbraw/zinc/38/33/31/526383331.db2.gz KGLQMMNYGOVDRI-YUMHPJSZSA-N 0 0 413.590 5.760 40 30 HKEBRN O=C(/C(=N/N=C(/C(=O)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1 ZINC000016923149 558809417 /nfs/dbraw/zinc/80/94/17/558809417.db2.gz KTIVNHNHGQMXFP-XDHTVYJESA-N 0 0 416.480 5.646 40 30 HKEBRN c1ccc(CC/C(=N\N=C(\CCc2ccccc2)c2ccccc2)c2ccccc2)cc1 ZINC000016924568 526463727 /nfs/dbraw/zinc/46/37/27/526463727.db2.gz AROHHHHPQBMXPI-SNQKRLHOSA-N 0 0 416.568 7.146 40 30 HKEBRN CCCCCOc1ccc(CN=Nc2nc(-c3ccccc3)cs2)cc1OCC ZINC000016938330 569362361 /nfs/dbraw/zinc/36/23/61/569362361.db2.gz CYNBMMQKAYFJQR-LFVJCYFKSA-N 0 0 409.555 6.224 40 30 HKEBRN CCCCCCOc1ccc(CN=Nc2nc(-c3ccccc3)cs2)cc1OCC ZINC000016938396 569362325 /nfs/dbraw/zinc/36/23/25/569362325.db2.gz WBSTXIVUFBVNSU-KOEQRZSOSA-N 0 0 423.582 6.614 40 30 HKEBRN CCOC(=O)C1=C(/C=C/c2cccc(Cl)c2)O/C(=C\c2cccc(Cl)c2)C1=O ZINC000016940354 558809490 /nfs/dbraw/zinc/80/94/90/558809490.db2.gz FZNYZWGMQWRQNO-BZTAXWJHSA-N 0 0 415.272 5.464 40 30 HKEBRN CCC(c1ccccc1)(c1ccccc1)C(C)N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000016943569 558809695 /nfs/dbraw/zinc/80/96/95/558809695.db2.gz BZPYOPJZSDFPPH-JJIBRWJFSA-N 0 0 418.453 5.687 40 30 HKEBRN CCCCC1=C(C)CC(N=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H](C)[C@@H]1CCCC ZINC000016951509 558809863 /nfs/dbraw/zinc/80/98/63/558809863.db2.gz WNRAOAAOTUQJHI-FQCZDGKXSA-N 0 0 416.522 6.624 40 30 HKEBRN C/C(=N\N=C(/C)c1ccc2cc3c(cc2c1)OCO3)c1ccc2cc3c(cc2c1)OCO3 ZINC000016952095 558809762 /nfs/dbraw/zinc/80/97/62/558809762.db2.gz FAAPJZADHKZZOQ-DPCVLPDWSA-N 0 0 424.456 5.684 40 30 HKEBRN C/C(=N\N=C(\C)c1ccc2cc3c(cc2c1)OCO3)c1ccc2cc3c(cc2c1)OCO3 ZINC000016952097 518458716 /nfs/dbraw/zinc/45/87/16/518458716.db2.gz FAAPJZADHKZZOQ-XFPKHNAPSA-N 0 0 424.456 5.684 40 30 HKEBRN C/C(=N/N=C(/C)c1ccc2cc3c(cc2c1)OCO3)c1ccc2cc3c(cc2c1)OCO3 ZINC000016952099 558809768 /nfs/dbraw/zinc/80/97/68/558809768.db2.gz FAAPJZADHKZZOQ-USYBVIFISA-N 0 0 424.456 5.684 40 30 HKEBRN O=C(N[C@H](/N=C\c1ccc(Cl)cc1)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000016952563 558809822 /nfs/dbraw/zinc/80/98/22/558809822.db2.gz AKQQYZOQDLATEW-SPEMGEGKSA-N 0 0 417.723 6.195 40 30 HKEBRN O=C(N[C@@H](/N=C/c1ccc(Cl)cc1)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000016952564 526851956 /nfs/dbraw/zinc/85/19/56/526851956.db2.gz AKQQYZOQDLATEW-ORBAKXMTSA-N 0 0 417.723 6.195 40 30 HKEBRN C=C1CCCC(C)(C)[C@H]1CC/C(C)=C/Cn1c2ccccc2nc2c(=O)cccc1-2 ZINC000016953171 569005488 /nfs/dbraw/zinc/00/54/88/569005488.db2.gz APNRZHLOPQFNMR-HCUHUEOSSA-N 0 0 400.566 6.610 40 30 HKEBRN CC[C@H](C(N=Nc1c(Cl)cc(Cl)cc1Cl)c1ccccc1)n1ccnc1C ZINC000016953302 558809771 /nfs/dbraw/zinc/80/97/71/558809771.db2.gz KVPXFJKDHHAEGO-UPZJTNLBSA-N 0 0 421.759 6.619 40 30 HKEBRN O=C(C(=N/c1ccccc1)/C(=N/c1ccccc1)C(=O)c1ccccc1)c1ccccc1 ZINC000016954341 560684946 /nfs/dbraw/zinc/68/49/46/560684946.db2.gz WQMMIFSPFCPWEG-ZUSIYWPSSA-N 0 0 416.480 6.298 40 30 HKEBRN c1ccc(NN=C(CCC(=NNc2ccccc2)c2ccccc2)c2ccccc2)cc1 ZINC000016956048 526480361 /nfs/dbraw/zinc/48/03/61/526480361.db2.gz WAOIKDOFYYWWJO-GYNJYFOTSA-N 0 0 418.544 6.799 40 30 HKEBRN c1ccc(NN=C(CCC(=NNc2ccccc2)c2ccccc2)c2ccccc2)cc1 ZINC000016956050 558810141 /nfs/dbraw/zinc/81/01/41/558810141.db2.gz WAOIKDOFYYWWJO-YDWWYXFJSA-N 0 0 418.544 6.799 40 30 HKEBRN O=C1/C(=C\c2ccc(Cl)c(Cl)c2)CNC/C1=C/c1ccc(Cl)c(Cl)c1 ZINC000016957515 526945841 /nfs/dbraw/zinc/94/58/41/526945841.db2.gz GJPXGFGIFQWUOC-GFIWHYBVSA-N 0 0 413.131 5.940 40 30 HKEBRN C/C(=N\NC(C)(C)C)c1sc(-c2nc(C)c(/C(C)=N/NC(C)(C)C)s2)nc1C ZINC000016957796 558810281 /nfs/dbraw/zinc/81/02/81/558810281.db2.gz MFAQJIFLGBBOEF-RNIAWFEPSA-N 0 0 420.652 5.108 40 30 HKEBRN O=C(/C(=C(\Br)I)c1ccccc1)c1ccccc1 ZINC000016958577 558810312 /nfs/dbraw/zinc/81/03/12/558810312.db2.gz YRZKZKWBMCUQDP-FYWRMAATSA-N 0 0 413.052 5.068 40 30 HKEBRN O=C1c2ccccc2-c2ccccc2/C1=C(/Br)I ZINC000016958689 527127474 /nfs/dbraw/zinc/12/74/74/527127474.db2.gz LCNOYWWCZYMTFN-FYWRMAATSA-N 0 0 411.036 5.048 40 30 HKEBRN COc1ccc(/C=C2/C(=O)/C(=C\c3ccc(OC)c(OC)c3)CC[C@H]2C)cc1OC ZINC000016958975 558810424 /nfs/dbraw/zinc/81/04/24/558810424.db2.gz FNEHNMVDEJMKOR-UTJZJESFSA-N 0 0 408.494 5.187 40 30 HKEBRN c1ccc(N=NC2=CC(c3ccccc3)[C@H](c3ccccc3)[C@H](c3ccccc3)C2)cc1 ZINC000016970189 558810752 /nfs/dbraw/zinc/81/07/52/558810752.db2.gz ZXQLPFHZTSVVFY-UWKXGJESSA-N 0 0 414.552 7.509 40 30 HKEBRN c1ccc(N=NC2=CC(c3ccccc3)[C@H](c3ccccc3)[C@@H](c3ccccc3)C2)cc1 ZINC000016970193 518203821 /nfs/dbraw/zinc/20/38/21/518203821.db2.gz ZXQLPFHZTSVVFY-YQBWXBSKSA-N 0 0 414.552 7.509 40 30 HKEBRN CC(CC(c1ccccc1)c1ccccc1)N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000016970931 558810811 /nfs/dbraw/zinc/81/08/11/558810811.db2.gz WJIUVAHUCTVXJU-XQNSMLJCSA-N 0 0 404.426 5.513 40 30 HKEBRN CN(C)c1ccc(/N=C2\C/C(=N/c3ccc(N(C)C)cc3)c3ccccc3C2=O)cc1 ZINC000016971014 558810783 /nfs/dbraw/zinc/81/07/83/558810783.db2.gz PSDGZRPAKLWCRC-MPCRXZSDSA-N 0 0 410.521 5.299 40 30 HKEBRN c1ccc(C/N=C2\c3ccccc3[C@@]3(c4ccccc4)[C@@H]2N3Cc2ccccc2)cc1 ZINC000016973587 558810974 /nfs/dbraw/zinc/81/09/74/558810974.db2.gz ZCLGJVKIUWRQMS-YDWGGKTOSA-N 0 0 400.525 5.818 40 30 HKEBRN CCCCCC(=O)/C=C\C[C@@H](CCCCCCC#N)[C@@H](CC(OC)OC)[N+](=O)[O-] ZINC000016998540 558811525 /nfs/dbraw/zinc/81/15/25/558811525.db2.gz AEBLDRQVETTYBH-IDPHYCSZSA-N 0 0 410.555 5.217 40 30 HKEBRN CCCCCC(=O)/C=C\C[C@H](CCCCCCC#N)[C@@H](CC(OC)OC)[N+](=O)[O-] ZINC000016998543 558811477 /nfs/dbraw/zinc/81/14/77/558811477.db2.gz AEBLDRQVETTYBH-KYPOQWJBSA-N 0 0 410.555 5.217 40 30 HKEBRN CCCCCC(=O)/C=C/C[C@H](CCCCCCC#N)[C@@H](CC(OC)OC)[N+](=O)[O-] ZINC000016998546 558811551 /nfs/dbraw/zinc/81/15/51/558811551.db2.gz AEBLDRQVETTYBH-ZHJOWBGWSA-N 0 0 410.555 5.217 40 30 HKEBRN O=C(c1ccccc1)[C@]1(c2ccccc2)O[C@@]1(C(=O)c1ccccc1)c1ccccc1 ZINC000016999084 558811518 /nfs/dbraw/zinc/81/15/18/558811518.db2.gz VHTHEVZGLMYPQQ-HNRBIFIRSA-N 0 0 404.465 5.573 40 30 HKEBRN CC(=O)O/N=C(/C(c1ccccc1)c1ccccc1)C1c2ccccc2-c2ccccc21 ZINC000017000171 519754150 /nfs/dbraw/zinc/75/41/50/519754150.db2.gz DUZZOVJIFCTLFK-FLWNBWAVSA-N 0 0 417.508 6.550 40 30 HKEBRN COc1ccc(C([NH2+]Nc2ccccc2)=C(C)C([O-])(C(F)(F)F)C(F)(F)F)cc1 ZINC000017002740 558811451 /nfs/dbraw/zinc/81/14/51/558811451.db2.gz KNOFAXSPFPCKBS-UEBZNITFSA-N 0 0 420.353 5.003 40 30 HKEBRN COc1ccc(C([NH2+]Nc2ccccc2)=C(C)C([O-])(C(F)(F)F)C(F)(F)F)cc1 ZINC000017002743 558811540 /nfs/dbraw/zinc/81/15/40/558811540.db2.gz KNOFAXSPFPCKBS-XWJZGMEDSA-N 0 0 420.353 5.003 40 30 HKEBRN C(=C/c1ccccc1)\C=N\c1cccc(N(Cc2ccccc2)Cc2ccccc2)c1 ZINC000017013040 558811675 /nfs/dbraw/zinc/81/16/75/558811675.db2.gz STBXUDANNKPDBL-XAFSWMQVSA-N 0 0 402.541 7.309 40 30 HKEBRN C/C(=N\N=C(/C)c1ccc(Br)s1)c1ccc(Br)s1 ZINC000017013847 558811614 /nfs/dbraw/zinc/81/16/14/558811614.db2.gz JNKTVWWYRDYKSI-BGPOSVGRSA-N 0 0 406.168 5.568 40 30 HKEBRN Cc1cc(C)cc(O[C@H](CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(C)(C)C)c1 ZINC000017014297 558811668 /nfs/dbraw/zinc/81/16/68/558811668.db2.gz KLUSZYSLMARHPA-MRUVXERFSA-N 0 0 400.435 5.011 40 30 HKEBRN COc1ccc(/C=C\C(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc1OC ZINC000017022832 558811982 /nfs/dbraw/zinc/81/19/82/558811982.db2.gz RYXYAGMILXIYPX-XFXZXTDPSA-N 0 0 404.462 5.188 40 30 HKEBRN COc1ccc(/N=C/c2cc(Cl)cc(Cl)c2OC(=O)c2ccccc2)cc1 ZINC000017023276 523465814 /nfs/dbraw/zinc/46/58/14/523465814.db2.gz YVSSQMPXTGEUPV-ZMOGYAJESA-N 0 0 400.261 5.972 40 30 HKEBRN Cc1ccc(/N=C/c2cc(Cl)cc(Cl)c2OC(=O)c2ccccc2)cc1Cl ZINC000017023386 558811993 /nfs/dbraw/zinc/81/19/93/558811993.db2.gz JFMFYNBZOCFDMG-BRJLIKDPSA-N 0 0 418.707 6.925 40 30 HKEBRN COc1ccc(C(=O)/C=C\c2ccc(OCc3ccccc3)c(OC)c2)cc1OC ZINC000017024357 558812103 /nfs/dbraw/zinc/81/21/03/558812103.db2.gz MVZHHFFBTZUAQB-XFXZXTDPSA-N 0 0 404.462 5.188 40 30 HKEBRN Cc1ccc(S(=O)(=O)NN=C(/C=C\c2ccccc2)/C=C\c2ccccc2)cc1 ZINC000017024866 558812082 /nfs/dbraw/zinc/81/20/82/558812082.db2.gz NJAOCDOAPINPJG-RYOQUFEFSA-N 0 0 402.519 5.056 40 30 HKEBRN Cc1ccc(S(=O)(=O)NN=C(/C=C/c2ccccc2)/C=C\c2ccccc2)cc1 ZINC000017024870 558812052 /nfs/dbraw/zinc/81/20/52/558812052.db2.gz NJAOCDOAPINPJG-JMZLXILTSA-N 0 0 402.519 5.056 40 30 HKEBRN COc1ccc(OC)c(/N=C/c2ccc(/C=N\c3cc(OC)ccc3OC)cc2)c1 ZINC000017063331 558813535 /nfs/dbraw/zinc/81/35/35/558813535.db2.gz UFWBWAPCZZHREP-WFOJNGAISA-N 0 0 404.466 5.222 40 30 HKEBRN Cc1ccc(NC(=O)Cc2c(/N=C/c3ccc(O)cc3)sc3c2CCCC3)cc1 ZINC000017082973 558815313 /nfs/dbraw/zinc/81/53/13/558815313.db2.gz MZMDANCGCJXJSK-MFKUBSTISA-N 0 0 404.535 5.573 40 30 HKEBRN N#Cc1ccc(C(=O)Nc2ccc3oc(-c4cccc5ccccc54)nc3c2)c(F)c1 ZINC000017087648 569274133 /nfs/dbraw/zinc/27/41/33/569274133.db2.gz VSMRHCVNEOBECV-UHFFFAOYSA-N 0 0 407.404 5.911 40 30 HKEBRN N#Cc1ccc(C(=O)Nc2ccc(Cl)cc2-c2nc3ccccc3s2)c(F)c1 ZINC000017087789 569273467 /nfs/dbraw/zinc/27/34/67/569273467.db2.gz VMUCLZVTYKKBHF-UHFFFAOYSA-N 0 0 407.857 5.880 40 30 HKEBRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3sc4c(c3C#N)CCC4)o2)cc1Cl ZINC000017088138 569274479 /nfs/dbraw/zinc/27/44/79/569274479.db2.gz NJVFXPGEWYCVFB-CSKARUKUSA-N 0 0 408.910 5.982 40 30 HKEBRN N#Cc1ccc(C(=O)Nc2ccc3oc(-c4ccc(F)cc4Cl)nc3c2)c(F)c1 ZINC000017088353 569274000 /nfs/dbraw/zinc/27/40/00/569274000.db2.gz DVCKNFLNZYYNFB-UHFFFAOYSA-N 0 0 409.779 5.550 40 30 HKEBRN Cc1sc(NC(=S)NC(=O)C=Cc2ccc(Cl)cc2Cl)c(C#N)c1C ZINC000017088422 569273418 /nfs/dbraw/zinc/27/34/18/569273418.db2.gz DTLVZXPYPIIMPI-GQCTYLIASA-N 0 0 410.351 5.070 40 30 HKEBRN CC(C)c1ccc(OCC(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1 ZINC000017088632 569274099 /nfs/dbraw/zinc/27/40/99/569274099.db2.gz ANYWUBGDTFHIDP-KRWDZBQOSA-N 0 0 410.583 5.912 40 30 HKEBRN CC(C)c1ccc(OCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1 ZINC000017088633 569274373 /nfs/dbraw/zinc/27/43/73/569274373.db2.gz ANYWUBGDTFHIDP-QGZVFWFLSA-N 0 0 410.583 5.912 40 30 HKEBRN CCOc1ccccc1/C=N\c1sc2c(c1C(=O)NC1CCCCC1)CCCC2 ZINC000017088640 560863600 /nfs/dbraw/zinc/86/36/00/560863600.db2.gz ZSVRACVVLPLERU-XYGWBWBKSA-N 0 0 410.583 5.839 40 30 HKEBRN Cc1ccc(C(=O)NC(=S)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1 ZINC000017089025 569274265 /nfs/dbraw/zinc/27/42/65/569274265.db2.gz KDUPZOGRFQXVKY-HNNXBMFYSA-N 0 0 411.596 5.206 40 30 HKEBRN Cc1ccc(C(=O)NC(=S)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1 ZINC000017089026 569273953 /nfs/dbraw/zinc/27/39/53/569273953.db2.gz KDUPZOGRFQXVKY-OAHLLOKOSA-N 0 0 411.596 5.206 40 30 HKEBRN N#Cc1c(NC(=S)NC(=O)c2cccc3c(Cl)cccc23)sc2c1CCC2 ZINC000017089077 569273782 /nfs/dbraw/zinc/27/37/82/569273782.db2.gz FUGLWLXKPNYLIX-UHFFFAOYSA-N 0 0 411.939 5.042 40 30 HKEBRN Cc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)c1ccc(C#N)cc1F ZINC000017089525 569273625 /nfs/dbraw/zinc/27/36/25/569273625.db2.gz HHZACYBCZXXZSC-UHFFFAOYSA-N 0 0 413.452 6.190 40 30 HKEBRN CCCCc1ccc(-n2nc3ccc(NC(=O)c4ccc(C#N)cc4F)cc3n2)cc1 ZINC000017089537 569273734 /nfs/dbraw/zinc/27/37/34/569273734.db2.gz VJFHFEDORQZIPA-UHFFFAOYSA-N 0 0 413.456 5.026 40 30 HKEBRN COc1c(Br)c2ccccc2cc1C(=O)Nc1sc(C)c(C)c1C#N ZINC000017090222 569273621 /nfs/dbraw/zinc/27/36/21/569273621.db2.gz OHOZYKVVZWJQEO-UHFFFAOYSA-N 0 0 415.312 5.413 40 30 HKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=S)NC(=O)c3ccc(F)cc3)sc2C1 ZINC000017090388 569274495 /nfs/dbraw/zinc/27/44/95/569274495.db2.gz LASOLPADWAXNIM-CYBMUJFWSA-N 0 0 415.559 5.037 40 30 HKEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=S)NC(=O)c3ccc(F)cc3)sc2C1 ZINC000017090389 569273576 /nfs/dbraw/zinc/27/35/76/569273576.db2.gz LASOLPADWAXNIM-ZDUSSCGKSA-N 0 0 415.559 5.037 40 30 HKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=S)NC(=O)c3cccc(F)c3)sc2C1 ZINC000017090390 569274310 /nfs/dbraw/zinc/27/43/10/569274310.db2.gz NGRLILXZILMQSO-CYBMUJFWSA-N 0 0 415.559 5.037 40 30 HKEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=S)NC(=O)c3cccc(F)c3)sc2C1 ZINC000017090391 569273887 /nfs/dbraw/zinc/27/38/87/569273887.db2.gz NGRLILXZILMQSO-ZDUSSCGKSA-N 0 0 415.559 5.037 40 30 HKEBRN Cc1sc(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)c(C#N)c1C ZINC000017090447 569273555 /nfs/dbraw/zinc/27/35/55/569273555.db2.gz VWOAJAXAJXHEFK-UHFFFAOYSA-N 0 0 415.927 5.277 40 30 HKEBRN N#Cc1ccccc1NC(=S)NC(=O)c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000017090495 569274213 /nfs/dbraw/zinc/27/42/13/569274213.db2.gz IJXLRLVYYQSFFO-UHFFFAOYSA-N 0 0 416.289 5.252 40 30 HKEBRN N#Cc1ccccc1NC(=S)NC(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000017090496 569274177 /nfs/dbraw/zinc/27/41/77/569274177.db2.gz JTIBMAFJWZTMKR-UHFFFAOYSA-N 0 0 416.289 5.252 40 30 HKEBRN CCOc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1Cl ZINC000017090926 569274287 /nfs/dbraw/zinc/27/42/87/569274287.db2.gz KJGRHYDSAIXIPU-AWEZNQCLSA-N 0 0 416.974 6.075 40 30 HKEBRN CCOc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1Cl ZINC000017090927 569273650 /nfs/dbraw/zinc/27/36/50/569273650.db2.gz KJGRHYDSAIXIPU-CQSZACIVSA-N 0 0 416.974 6.075 40 30 HKEBRN Cc1sc(NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)c(C#N)c1C ZINC000017090972 569273855 /nfs/dbraw/zinc/27/38/55/569273855.db2.gz OOSNPFRAJDDIOJ-VMPITWQZSA-N 0 0 417.317 6.455 40 30 HKEBRN Cc1sc(NC(=O)/C=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)c(C#N)c1C ZINC000017090977 569274598 /nfs/dbraw/zinc/27/45/98/569274598.db2.gz QVSPAYIPYBVUHR-GQCTYLIASA-N 0 0 417.317 6.455 40 30 HKEBRN Cc1sc(NC(=O)COc2c(Cl)c(C)c(Cl)c(C)c2Cl)c(C#N)c1C ZINC000017091233 569273626 /nfs/dbraw/zinc/27/36/26/569273626.db2.gz YFLDBEGVOHBSMT-UHFFFAOYSA-N 0 0 417.745 5.831 40 30 HKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)COc3cccc4ccccc43)sc2C1 ZINC000017091570 569274109 /nfs/dbraw/zinc/27/41/09/569274109.db2.gz RMWVPEHPCBTJAL-QGZVFWFLSA-N 0 0 418.562 5.941 40 30 HKEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)COc3cccc4ccccc43)sc2C1 ZINC000017091571 569274272 /nfs/dbraw/zinc/27/42/72/569274272.db2.gz RMWVPEHPCBTJAL-KRWDZBQOSA-N 0 0 418.562 5.941 40 30 HKEBRN COc1cc2ccccc2cc1C(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 ZINC000017091585 569274609 /nfs/dbraw/zinc/27/46/09/569274609.db2.gz SJHCOFPNFCMNOY-KRWDZBQOSA-N 0 0 418.562 6.185 40 30 HKEBRN COc1cc2ccccc2cc1C(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 ZINC000017091586 569274210 /nfs/dbraw/zinc/27/42/10/569274210.db2.gz SJHCOFPNFCMNOY-QGZVFWFLSA-N 0 0 418.562 6.185 40 30 HKEBRN CC[C@@H](C)c1ccc2oc(-c3ccc(/N=C/c4cc(C)cc(Cl)c4O)cc3)nc2c1 ZINC000017091713 560866335 /nfs/dbraw/zinc/86/63/35/560866335.db2.gz BTTAQVXVLGEABH-NKZWWHGNSA-N 0 0 418.924 7.426 40 30 HKEBRN CCc1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccc(C#N)cc4F)c3)nc2c1 ZINC000017092010 569274497 /nfs/dbraw/zinc/27/44/97/569274497.db2.gz UBDYOSSLYLOAQP-UHFFFAOYSA-N 0 0 419.843 5.974 40 30 HKEBRN O=C1C[C@@H](c2ccco2)CC2=Nc3nc4ccccc4n3[C@H](c3c[nH]c4ccccc43)C12 ZINC000017092184 560866818 /nfs/dbraw/zinc/86/68/18/560866818.db2.gz RDKBEMHZEHAXFE-ODCWNRFASA-N 0 0 420.472 5.526 40 30 HKEBRN O=C1C[C@H](c2ccco2)CC2=Nc3nc4ccccc4n3[C@H](c3c[nH]c4ccccc43)C12 ZINC000017092185 560866845 /nfs/dbraw/zinc/86/68/45/560866845.db2.gz RDKBEMHZEHAXFE-SGANQWHYSA-N 0 0 420.472 5.526 40 30 HKEBRN O=C1C[C@@H](c2ccco2)CC2=Nc3nc4ccccc4n3[C@@H](c3c[nH]c4ccccc43)C12 ZINC000017092186 560866978 /nfs/dbraw/zinc/86/69/78/560866978.db2.gz RDKBEMHZEHAXFE-MQNRADLISA-N 0 0 420.472 5.526 40 30 HKEBRN O=C1C[C@H](c2ccco2)CC2=Nc3nc4ccccc4n3[C@@H](c3c[nH]c4ccccc43)C12 ZINC000017092187 560866950 /nfs/dbraw/zinc/86/69/50/560866950.db2.gz RDKBEMHZEHAXFE-BZQUYTCOSA-N 0 0 420.472 5.526 40 30 HKEBRN C[C@@H]1CCc2c(C#N)c(NC(=O)/C=C/c3ccc(-c4ccc(Cl)cc4)o3)sc2C1 ZINC000017093372 569274128 /nfs/dbraw/zinc/27/41/28/569274128.db2.gz YWGURXNUCTVTGA-BMGYJQCNSA-N 0 0 422.937 6.310 40 30 HKEBRN C[C@H]1CCc2c(C#N)c(NC(=O)/C=C/c3ccc(-c4ccc(Cl)cc4)o3)sc2C1 ZINC000017093373 569273391 /nfs/dbraw/zinc/27/33/91/569273391.db2.gz YWGURXNUCTVTGA-ZHZWZMEUSA-N 0 0 422.937 6.310 40 30 HKEBRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3sc4c(c3C#N)CCCC4)o2)cc1Cl ZINC000017093380 569273488 /nfs/dbraw/zinc/27/34/88/569273488.db2.gz VBGUGTRWJXCEJO-PKNBQFBNSA-N 0 0 422.937 6.372 40 30 HKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)c3cccc4c(Cl)cccc34)sc2C1 ZINC000017093418 569273859 /nfs/dbraw/zinc/27/38/59/569273859.db2.gz LSTPQTIKLXFMCJ-CQSZACIVSA-N 0 0 422.981 6.830 40 30 HKEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)c3cccc4c(Cl)cccc34)sc2C1 ZINC000017093419 569273777 /nfs/dbraw/zinc/27/37/77/569273777.db2.gz LSTPQTIKLXFMCJ-AWEZNQCLSA-N 0 0 422.981 6.830 40 30 HKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=S)NC(=O)C=Cc3ccccc3)sc2C1 ZINC000017093694 569274514 /nfs/dbraw/zinc/27/45/14/569274514.db2.gz FRLOSEXPLASZLI-ONOODXEBSA-N 0 0 423.607 5.297 40 30 HKEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=S)NC(=O)C=Cc3ccccc3)sc2C1 ZINC000017093695 569273741 /nfs/dbraw/zinc/27/37/41/569273741.db2.gz FRLOSEXPLASZLI-YHVDPYDOSA-N 0 0 423.607 5.297 40 30 HKEBRN CC(C)c1ccc(/C=C/C(=O)NC(=S)Nc2sc3c(c2C#N)CC[C@H](C)C3)cc1 ZINC000017093696 569273873 /nfs/dbraw/zinc/27/38/73/569273873.db2.gz XTYYQDFJEOHGAX-USYSOWRXSA-N 0 0 423.607 5.394 40 30 HKEBRN CC(C)c1ccc(/C=C/C(=O)NC(=S)Nc2sc3c(c2C#N)CC[C@@H](C)C3)cc1 ZINC000017093697 569273841 /nfs/dbraw/zinc/27/38/41/569273841.db2.gz XTYYQDFJEOHGAX-XKOZXHHJSA-N 0 0 423.607 5.394 40 30 HKEBRN Cc1nn(-c2ccc(Br)cc2)c(Cl)c1C=NNc1ccc(Cl)cc1 ZINC000017093757 559122706 /nfs/dbraw/zinc/12/27/06/559122706.db2.gz SHJPLFCCICZLRG-UFFVCSGVSA-N 0 0 424.129 5.696 40 30 HKEBRN C[C@@H]1CCc2c(C#N)c(NC(=S)NC(=O)c3ccc(Cl)c(Cl)c3)sc2C1 ZINC000017093811 569273397 /nfs/dbraw/zinc/27/33/97/569273397.db2.gz FIYQRLRFJQOLHR-SECBINFHSA-N 0 0 424.378 5.178 40 30 HKEBRN C[C@H]1CCc2c(C#N)c(NC(=S)NC(=O)c3ccc(Cl)c(Cl)c3)sc2C1 ZINC000017093812 569273725 /nfs/dbraw/zinc/27/37/25/569273725.db2.gz FIYQRLRFJQOLHR-VIFPVBQESA-N 0 0 424.378 5.178 40 30 HKEBRN C[C@@H]1CCc2c(C#N)c(NC(=S)NC(=O)c3cccc(Cl)c3Cl)sc2C1 ZINC000017093817 569274377 /nfs/dbraw/zinc/27/43/77/569274377.db2.gz BRNVWERHMHRPOB-SECBINFHSA-N 0 0 424.378 5.178 40 30 HKEBRN C[C@H]1CCc2c(C#N)c(NC(=S)NC(=O)c3cccc(Cl)c3Cl)sc2C1 ZINC000017093818 569274143 /nfs/dbraw/zinc/27/41/43/569274143.db2.gz BRNVWERHMHRPOB-VIFPVBQESA-N 0 0 424.378 5.178 40 30 HKEBRN C[C@@H]1CCc2c(C#N)c(NC(=S)NC(=O)c3cc(Cl)ccc3Cl)sc2C1 ZINC000017093819 569273748 /nfs/dbraw/zinc/27/37/48/569273748.db2.gz VGCHNBHNFMULAT-SECBINFHSA-N 0 0 424.378 5.178 40 30 HKEBRN C[C@H]1CCc2c(C#N)c(NC(=S)NC(=O)c3cc(Cl)ccc3Cl)sc2C1 ZINC000017093820 569273298 /nfs/dbraw/zinc/27/32/98/569273298.db2.gz VGCHNBHNFMULAT-VIFPVBQESA-N 0 0 424.378 5.178 40 30 HKEBRN C[C@@H]1CCc2c(C#N)c(NC(=S)NC(=O)c3ccc(Cl)cc3Cl)sc2C1 ZINC000017093823 569274004 /nfs/dbraw/zinc/27/40/04/569274004.db2.gz SDUOSXUHTDIXAL-SECBINFHSA-N 0 0 424.378 5.178 40 30 HKEBRN C[C@H]1CCc2c(C#N)c(NC(=S)NC(=O)c3ccc(Cl)cc3Cl)sc2C1 ZINC000017093824 569274067 /nfs/dbraw/zinc/27/40/67/569274067.db2.gz SDUOSXUHTDIXAL-VIFPVBQESA-N 0 0 424.378 5.178 40 30 HKEBRN Cc1ccc(C(C)C)c(OCC(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c1 ZINC000017094098 569273445 /nfs/dbraw/zinc/27/34/45/569273445.db2.gz YEGQQMRYRACXSL-KRWDZBQOSA-N 0 0 424.610 6.220 40 30 HKEBRN Cc1ccc(C(C)C)c(OCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c1 ZINC000017094099 569274367 /nfs/dbraw/zinc/27/43/67/569274367.db2.gz YEGQQMRYRACXSL-QGZVFWFLSA-N 0 0 424.610 6.220 40 30 HKEBRN CC(C)(C)c1ccc(OCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1 ZINC000017094100 569273465 /nfs/dbraw/zinc/27/34/65/569273465.db2.gz WSWVUOUWDCVXBV-QGZVFWFLSA-N 0 0 424.610 6.086 40 30 HKEBRN CC(C)(C)c1ccc(OCC(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1 ZINC000017094101 569273314 /nfs/dbraw/zinc/27/33/14/569273314.db2.gz WSWVUOUWDCVXBV-KRWDZBQOSA-N 0 0 424.610 6.086 40 30 HKEBRN CN(C)c1ccc(/C=C/C(=O)c2ccc(C(=O)/C=C\c3ccc(N(C)C)cc3)cc2)cc1 ZINC000017104985 558822598 /nfs/dbraw/zinc/82/25/98/558822598.db2.gz SEIJJKISAJYNJX-KFSYKRRRSA-N 0 0 424.544 5.611 40 30 HKEBRN CCCCCCC(=O)/C=C\c1ccc(OC(=O)c2ccc(Br)cc2)cc1 ZINC000017106690 558822609 /nfs/dbraw/zinc/82/26/09/558822609.db2.gz JQTJNQOWKSWYOR-AUWJEWJLSA-N 0 0 415.327 6.221 40 30 HKEBRN CC(C)(C)c1ccnc(N=C2NC(=Nc3cc(C(C)(C)C)ccn3)c3ccccc32)c1 ZINC000017108114 569274823 /nfs/dbraw/zinc/27/48/23/569274823.db2.gz JZRXHWFKTAXBHI-UHFFFAOYSA-N 0 0 411.553 5.831 40 30 HKEBRN C/C(=N\CC/N=C(\C)c1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000017120140 558823050 /nfs/dbraw/zinc/82/30/50/558823050.db2.gz FKIWUOQSVDWWAC-JFMUQQRKSA-N 0 0 422.164 5.530 40 30 HKEBRN O=C(N=C(NC(=NC1CCCCC1)c1ccccc1)c1ccccc1)c1ccccc1 ZINC000017123590 558823276 /nfs/dbraw/zinc/82/32/76/558823276.db2.gz ORTZXBQWDGMNLO-UHFFFAOYSA-N 0 0 409.533 5.643 40 30 HKEBRN O=C(/C=C/c1ccc(OCc2ccccc2)cc1)c1ccc(Cl)c(Cl)c1Cl ZINC000017124098 527616519 /nfs/dbraw/zinc/61/65/19/527616519.db2.gz CWOGNZLFLRLJAZ-MDWZMJQESA-N 0 0 417.719 7.122 40 30 HKEBRN O=[N+]([O-])c1ccccc1/C=N/c1ccc2nc(SCc3ccccc3)sc2c1 ZINC000017125665 527396971 /nfs/dbraw/zinc/39/69/71/527396971.db2.gz GBJXCKYHVWRUGJ-LPYMAVHISA-N 0 0 405.504 6.247 40 30 HKEBRN O=C1c2ccccc2CN(c2ccccc2)/C(=N\c2ccccc2)N1c1ccccc1 ZINC000017129877 527133517 /nfs/dbraw/zinc/13/35/17/527133517.db2.gz YJBLQNYRMUNLNT-BYYHNAKLSA-N 0 0 403.485 6.041 40 30 HKEBRN COc1ccc(/C=N/SC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1 ZINC000017142744 558823927 /nfs/dbraw/zinc/82/39/27/558823927.db2.gz NTUGGKIFPKVPKO-SGWCAAJKSA-N 0 0 409.554 6.754 40 30 HKEBRN CCC(=NOC(=O)Nc1ccccc1)c1ccc(OC(=O)Nc2ccccc2)cc1 ZINC000017142835 558823909 /nfs/dbraw/zinc/82/39/09/558823909.db2.gz RTINPUWXEJFIAL-QLYXXIJNSA-N 0 0 403.438 5.660 40 30 HKEBRN CC/C(=N\N=C(\CC)c1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000017146824 558824084 /nfs/dbraw/zinc/82/40/84/558824084.db2.gz HESJEUSORFTBEI-QGFZOGOGSA-N 0 0 422.164 6.225 40 30 HKEBRN CC(C)(C)c1ccc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1 ZINC000017164342 560868748 /nfs/dbraw/zinc/86/87/48/560868748.db2.gz HMRDBEQKGADHHK-FALKZDQASA-N 0 0 412.558 6.793 40 30 HKEBRN Clc1ccccc1-n1cccc1/C=N\N=C/c1cccn1-c1ccccc1Cl ZINC000017174997 558824771 /nfs/dbraw/zinc/82/47/71/558824771.db2.gz ATRABQWKGJGCSE-YXHOTNNGSA-N 0 0 407.304 6.028 40 30 HKEBRN CC[C@@H](C(N=Nc1c(Cl)cc(Cl)cc1Cl)c1ccccc1)n1ccnc1C ZINC000017193972 558825411 /nfs/dbraw/zinc/82/54/11/558825411.db2.gz KVPXFJKDHHAEGO-OLQVNIRXSA-N 0 0 421.759 6.619 40 30 HKEBRN O=C(/C=C\c1ccccc1)N1C/C(=C\c2ccccc2)C(=O)/C(=C\c2ccccc2)C1 ZINC000017198616 558825595 /nfs/dbraw/zinc/82/55/95/558825595.db2.gz VWRVRYWIRXZQDO-YJBMQTMOSA-N 0 0 405.497 5.278 40 30 HKEBRN O=C(/C=C/c1ccccc1)N1C/C(=C\c2ccccc2)C(=O)/C(=C\c2ccccc2)C1 ZINC000017198618 558825562 /nfs/dbraw/zinc/82/55/62/558825562.db2.gz VWRVRYWIRXZQDO-PLBLCFTRSA-N 0 0 405.497 5.278 40 30 HKEBRN O=C1/C(=C/c2ccc(Cl)c(Cl)c2)CNC/C1=C/c1ccc(Cl)c(Cl)c1 ZINC000017198631 558825584 /nfs/dbraw/zinc/82/55/84/558825584.db2.gz GJPXGFGIFQWUOC-FUJGBLOQSA-N 0 0 413.131 5.940 40 30 HKEBRN C/C(=N/N(C)C)c1sc(-n2nc(-c3ccccc3)cc2-c2ccccc2)nc1C ZINC000017210606 558825796 /nfs/dbraw/zinc/82/57/96/558825796.db2.gz ZERSWHDPHXVNTN-UQQQWYQISA-N 0 0 401.539 5.257 40 30 HKEBRN Cc1cccc(/N=C/c2ccc(N(CCC#N)S(=O)(=O)c3ccccc3)cc2C)c1 ZINC000017211060 558825812 /nfs/dbraw/zinc/82/58/12/558825812.db2.gz XGMLUCBCMHSQQQ-NLRVBDNBSA-N 0 0 417.534 5.163 40 30 HKEBRN C/C(=N/NC(C)(C)C)c1sc(-c2nc(C)c(/C(C)=N\NC(C)(C)C)s2)nc1C ZINC000017211814 558825881 /nfs/dbraw/zinc/82/58/81/558825881.db2.gz MFAQJIFLGBBOEF-GACBQCINSA-N 0 0 420.652 5.108 40 30 HKEBRN N#CCCN(c1ccc(/C=N/c2ccccc2Cl)cc1)S(=O)(=O)c1ccccc1 ZINC000017215677 558825963 /nfs/dbraw/zinc/82/59/63/558825963.db2.gz CAIIALRYULFLOG-KOEQRZSOSA-N 0 0 423.925 5.200 40 30 HKEBRN CN1c2ccccc2C(C)(C)[C@@]12CC(c1ccc(/C(=N/O)c3ccccc3)cc1)=NO2 ZINC000017241545 558826142 /nfs/dbraw/zinc/82/61/42/558826142.db2.gz NVCYUNMMNBNLNT-DHJMZRGKSA-N 0 0 411.505 5.162 40 30 HKEBRN CN1c2ccccc2C(C)(C)[C@]12CC(c1ccc(/C(=N/O)c3ccccc3)cc1)=NO2 ZINC000017241549 524035165 /nfs/dbraw/zinc/03/51/65/524035165.db2.gz NVCYUNMMNBNLNT-GAPOMRBKSA-N 0 0 411.505 5.162 40 30 HKEBRN COc1cc(/C=C\C=C2/CC/C(=C/C=C\c3ccc(O)c(OC)c3)C2=O)ccc1O ZINC000017255113 521984340 /nfs/dbraw/zinc/98/43/40/521984340.db2.gz GYYPECSETJYYJN-LFXJHKIZSA-N 0 0 404.462 5.057 40 30 HKEBRN COc1cc(/C=C\C=C2/CC/C(=C\C=C/c3ccc(O)c(OC)c3)C2=O)ccc1O ZINC000017255117 560868860 /nfs/dbraw/zinc/86/88/60/560868860.db2.gz GYYPECSETJYYJN-IFVXQAMFSA-N 0 0 404.462 5.057 40 30 HKEBRN CN(C)c1ccc(/C=C2/c3ccccc3-c3ccc(/N=C/c4ccccc4)cc32)cc1 ZINC000017284993 522130444 /nfs/dbraw/zinc/13/04/44/522130444.db2.gz SDJXPKUQLHGMCD-PNVVVLDVSA-N 0 0 400.525 7.073 40 30 HKEBRN CC(C)c1cc(C(C)C)c(/N=C\c2ccccc2)c(C(C)C)c1/N=C/c1ccccc1 ZINC000017286744 558826464 /nfs/dbraw/zinc/82/64/64/558826464.db2.gz GDEHVUVSJMBQMX-LJHNCSMGSA-N 0 0 410.605 8.558 40 30 HKEBRN O=C(C=C(Nc1ccc(-c2ccccc2)cc1)C(=O)c1ccccc1)c1ccccc1 ZINC000017301286 558826739 /nfs/dbraw/zinc/82/67/39/558826739.db2.gz FCRUHIZHWVXVGL-LHLOQNFPSA-N 0 0 403.481 6.415 40 30 HKEBRN c1ccc2c(c1)cccc2/N=C(\Nc1cccc2ccccc21)c1cccc2ccccc21 ZINC000017302623 558826751 /nfs/dbraw/zinc/82/67/51/558826751.db2.gz YUIMICUJVAAINL-UHFFFAOYSA-N 0 0 422.531 8.337 40 30 HKEBRN C=C(Cl)Cc1cc([C@H](CC)[C@H](CC)c2ccc(O)c(CC(=C)Cl)c2)ccc1O ZINC000017303445 518652155 /nfs/dbraw/zinc/65/21/55/518652155.db2.gz NZPFXUVPFXIEEW-SZPZYZBQSA-N 0 0 419.392 7.375 40 30 HKEBRN Cc1cccc(/C=N/c2ccc(-c3ccc(/N=C/c4cccc(C)c4O)cc3)cc2)c1O ZINC000017312930 558826801 /nfs/dbraw/zinc/82/68/01/558826801.db2.gz JHOYSQJJZDPVRT-YAGSLNJISA-N 0 0 420.512 6.883 40 30 HKEBRN CCOc1ccccc1/C=N/NC(=S)Nc1cccc2cc3ccccc3nc21 ZINC000017314419 558826837 /nfs/dbraw/zinc/82/68/37/558826837.db2.gz YJDNWNWCZLRLMI-BUVRLJJBSA-N 0 0 400.507 5.107 40 30 HKEBRN COc1ccc(C(=N\c2ccccc2)/C(=N/c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000017352834 558827196 /nfs/dbraw/zinc/82/71/96/558827196.db2.gz CAZWIUFQHGHKHJ-QAVVBOBSSA-N 0 0 420.512 6.646 40 30 HKEBRN C(/C=C\c1ccccc1)=N\c1cccc(N(Cc2ccccc2)Cc2ccccc2)c1 ZINC000017355098 518369668 /nfs/dbraw/zinc/36/96/68/518369668.db2.gz STBXUDANNKPDBL-UIUJYVNLSA-N 0 0 402.541 7.309 40 30 HKEBRN C/C(=N\N=C(\C)c1ccc(Br)s1)c1ccc(Br)s1 ZINC000017377365 558827305 /nfs/dbraw/zinc/82/73/05/558827305.db2.gz JNKTVWWYRDYKSI-BSHIDLADSA-N 0 0 406.168 5.568 40 30 HKEBRN O=C(C=C(C=C(c1ccccc1)c1ccccc1)Nc1ccccc1)c1ccccc1 ZINC000017377412 558827282 /nfs/dbraw/zinc/82/72/82/558827282.db2.gz YMWPFYLPHXCDDY-QYQHSDTDSA-N 0 0 401.509 6.997 40 30 HKEBRN Cc1cc(C)cc(O[C@@H](CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(C)(C)C)c1 ZINC000017378316 558827277 /nfs/dbraw/zinc/82/72/77/558827277.db2.gz KLUSZYSLMARHPA-CIPMJJFUSA-N 0 0 400.435 5.011 40 30 HKEBRN COc1cccc(/C=C2\CCCC/C(=C\c3cccc(OC)c3OC)C2=O)c1OC ZINC000017380144 558827279 /nfs/dbraw/zinc/82/72/79/558827279.db2.gz LIURKLRYLCGHBR-YTEMWHBBSA-N 0 0 408.494 5.331 40 30 HKEBRN C(=CN=Nc1nnc(N=NC=CCc2ccccc2)c2ccccc21)Cc1ccccc1 ZINC000017418152 558827329 /nfs/dbraw/zinc/82/73/29/558827329.db2.gz AYTJSHHESVZMRL-CQFVCAJWSA-N 0 0 418.504 5.852 40 30 HKEBRN C(=CN=Nc1nnc(N=NC=CCc2ccccc2)c2ccccc21)Cc1ccccc1 ZINC000017418155 558827303 /nfs/dbraw/zinc/82/73/03/558827303.db2.gz AYTJSHHESVZMRL-KIUSKUQYSA-N 0 0 418.504 5.852 40 30 HKEBRN C(=CN=Nc1nnc(N=NC=CCc2ccccc2)c2ccccc21)Cc1ccccc1 ZINC000017418158 558827339 /nfs/dbraw/zinc/82/73/39/558827339.db2.gz AYTJSHHESVZMRL-ZWBXHDNCSA-N 0 0 418.504 5.852 40 30 HKEBRN C(=CN=Nc1nnc(N=NC=CCc2ccccc2)c2ccccc21)Cc1ccccc1 ZINC000017418161 558827312 /nfs/dbraw/zinc/82/73/12/558827312.db2.gz AYTJSHHESVZMRL-QLIAAWOWSA-N 0 0 418.504 5.852 40 30 HKEBRN c1ccc(CCCN=Nc2nnc(N=NCCCc3ccccc3)c3ccccc32)cc1 ZINC000017418176 558827515 /nfs/dbraw/zinc/82/75/15/558827515.db2.gz LXOFTDWIFKLDTK-RSSRHXQMSA-N 0 0 422.536 5.691 40 30 HKEBRN c1ccc(CCCN=Nc2nnc(N=NCCCc3ccccc3)c3ccccc32)cc1 ZINC000017418182 558827500 /nfs/dbraw/zinc/82/75/00/558827500.db2.gz LXOFTDWIFKLDTK-RIRMOVKSSA-N 0 0 422.536 5.691 40 30 HKEBRN Cc1ccc(S(=O)(=O)OC[C@H](c2ccc(Cl)cc2)c2ccccc2Cl)cc1 ZINC000017428021 558827486 /nfs/dbraw/zinc/82/74/86/558827486.db2.gz RHORZYHFLYVMIY-HXUWFJFHSA-N 0 0 421.345 5.839 40 30 HKEBRN O=C(O/C(=N/c1cccc2ccccc21)c1nccc2ccccc21)c1ccccc1 ZINC000017429207 526412736 /nfs/dbraw/zinc/41/27/36/526412736.db2.gz BNLGBTZQLKKEMV-PBBVDAKRSA-N 0 0 402.453 6.323 40 30 HKEBRN CCOc1cc(/C=C2/S/C(=N/c3ccccc3)N(C3CCCCC3)C2=O)ccc1O ZINC000017719762 560870004 /nfs/dbraw/zinc/87/00/04/560870004.db2.gz ACXUKMHZPUOYPO-XAFFKLEKSA-N 0 0 422.550 5.728 40 30 HKEBRN COc1cccc(/C=C2\CCCC/C(=C/c3cccc(OC)c3OC)C2=O)c1OC ZINC000017784309 525764760 /nfs/dbraw/zinc/76/47/60/525764760.db2.gz LIURKLRYLCGHBR-JRDMOELTSA-N 0 0 408.494 5.331 40 30 HKEBRN S=C1SC(=N\c2ccccc2)/C(=N/c2ccccc2)N1c1ccc2ccccc2c1 ZINC000017836123 558828269 /nfs/dbraw/zinc/82/82/69/558828269.db2.gz GWLUNVUGYRXBEC-QXKKBDLUSA-N 0 0 423.566 7.138 40 30 HKEBRN CC(C)CCN1c2ccccc2C(=NNc2c(Cl)cc(Cl)cc2Cl)C1=O ZINC000017877644 560870495 /nfs/dbraw/zinc/87/04/95/560870495.db2.gz NFRMQTPVPFJBRH-HAVVHWLPSA-N 0 0 410.732 5.856 40 30 HKEBRN FC(F)(F)c1cccc(/N=C/c2ccc(/C=N/c3cccc(C(F)(F)F)c3)cc2)c1 ZINC000017885600 558828468 /nfs/dbraw/zinc/82/84/68/558828468.db2.gz GIJIOLGRUWWULN-HZUVFDMRSA-N 0 0 420.356 7.225 40 30 HKEBRN Cc1cc(=O)[nH]c(NN=Cc2c3ccccc3n(-c3ccccc3)c2-c2ccccc2)n1 ZINC000017920201 569380695 /nfs/dbraw/zinc/38/06/95/569380695.db2.gz SCHPQUDXJOABNN-WPWMEQJKSA-N 0 0 419.488 5.135 40 30 HKEBRN Cc1ccc(N=C(NC(=NC(=O)c2ccccc2)c2ccccc2)c2ccccc2)cc1 ZINC000017920923 558828757 /nfs/dbraw/zinc/82/87/57/558828757.db2.gz VQPCUEMZQUFZCU-UHFFFAOYSA-N 0 0 417.512 6.141 40 30 HKEBRN Oc1ccc(Br)cc1/N=C\c1ccc2oc(-c3ccccc3F)nc2c1 ZINC000017952646 558828922 /nfs/dbraw/zinc/82/89/22/558828922.db2.gz BGOTWCGRNBNRLI-KSEXSDGBSA-N 0 0 411.230 5.853 40 30 HKEBRN CC(=O)/C(=N\Nc1ccc(Br)cc1)Sc1nc2ccccc2s1 ZINC000017995987 558829495 /nfs/dbraw/zinc/82/94/95/558829495.db2.gz SOFAQLYOQLLXOX-HMMYKYKNSA-N 0 0 406.330 5.166 40 30 HKEBRN CN(C)c1ccc(/N=C(\C#N)c2cccc(/C(C#N)=N/c3ccc(N(C)C)cc3)c2)cc1 ZINC000018031287 522138410 /nfs/dbraw/zinc/13/84/10/522138410.db2.gz MENPARZFJLXAQL-XDHTVYJESA-N 0 0 420.520 5.107 40 30 HKEBRN O=C1N(c2ccccc2)C(=N/c2ccccc2)/C(=N/c2ccccc2)N1c1ccccc1 ZINC000018033788 558829769 /nfs/dbraw/zinc/82/97/69/558829769.db2.gz ANNODTFQNIALEM-HIXBMYMESA-N 0 0 416.484 6.594 40 30 HKEBRN CC(C)(C)c1ccc(OCC(=O)Nc2ccc(/C=C/C(=O)c3ccco3)cc2)cc1 ZINC000018042181 558829952 /nfs/dbraw/zinc/82/99/52/558829952.db2.gz DQAOLLJCLXCVEO-OVCLIPMQSA-N 0 0 403.478 5.491 40 30 HKEBRN Clc1cnc(/N=C/c2ccc(/C=N/c3ncc(Cl)cc3Cl)cc2)c(Cl)c1 ZINC000018044661 558830037 /nfs/dbraw/zinc/83/00/37/558830037.db2.gz CWAYPYGFKGVCCB-ZPNKGADNSA-N 0 0 424.118 6.591 40 30 HKEBRN COC(=O)C(=O)[C@@H](SC(=Nc1ccccc1)Nc1ccc(C)cc1)c1ccccc1 ZINC000018056589 558830184 /nfs/dbraw/zinc/83/01/84/558830184.db2.gz VRYKDWMXVNJJMW-QFIPXVFZSA-N 0 0 418.518 5.311 40 30 HKEBRN O=C1c2ccccc2-c2cc(Br)c(/N=C/c3ccc([N+](=O)[O-])cc3)cc21 ZINC000018067876 560774604 /nfs/dbraw/zinc/77/46/04/560774604.db2.gz QOGIWCJMXRDQHD-SSDVNMTOSA-N 0 0 407.223 5.319 40 30 HKEBRN O=C(C(=N\c1ccccc1)/C(=N/c1ccccc1)C(=O)c1ccccc1)c1ccccc1 ZINC000018068357 558830393 /nfs/dbraw/zinc/83/03/93/558830393.db2.gz WQMMIFSPFCPWEG-IDDWGTJGSA-N 0 0 416.480 6.298 40 30 HKEBRN CCN(CC)/C(=N\c1ccc(Cl)c(Cl)c1)SC(NC=O)=C(Cl)Cl ZINC000018084682 558830877 /nfs/dbraw/zinc/83/08/77/558830877.db2.gz MGFLDRXGSOZYQB-XSFVSMFZSA-N 0 0 415.173 5.406 40 30 HKEBRN CN(/C(=N\C(=S)NCc1ccccc1)SCc1ccccc1)c1ccccc1 ZINC000018089661 558831016 /nfs/dbraw/zinc/83/10/16/558831016.db2.gz HEXVXBIMCGORPH-WJTDDFOZSA-N 0 0 405.592 5.487 40 30 HKEBRN CN(C)c1ccc(/C=C2\c3ccccc3-c3ccc(/N=C/c4ccccc4)cc32)cc1 ZINC000018098908 558831136 /nfs/dbraw/zinc/83/11/36/558831136.db2.gz SDJXPKUQLHGMCD-IOCIACFESA-N 0 0 400.525 7.073 40 30 HKEBRN Clc1ccc(/C=N/c2cccc(N(Cc3ccccc3)Cc3ccccc3)c2)cc1 ZINC000018100662 558831121 /nfs/dbraw/zinc/83/11/21/558831121.db2.gz PCGPHMLKVPOBMV-VUTHCHCSSA-N 0 0 410.948 7.297 40 30 HKEBRN COC1=CC(=NNc2ccccc2)C=C(C=NNC(=S)Nc2cccc(C)c2)C1=O ZINC000018101095 558831093 /nfs/dbraw/zinc/83/10/93/558831093.db2.gz KFENKUVOVKNVQH-HRRUJZEASA-N 0 0 419.510 5.445 40 30 HKEBRN COC(=O)c1cc(OC)cc(C)c1O/C(=N/c1cccc(Cl)c1C)c1ccccc1 ZINC000018101871 558831240 /nfs/dbraw/zinc/83/12/40/558831240.db2.gz JNLAICWQKBNMEL-WNAAXNPUSA-N 0 0 423.896 5.909 40 30 HKEBRN COC1=CC(=NNc2ccccc2)C=C(C=NNC(=S)Nc2ccccc2)C1=O ZINC000018118075 558831495 /nfs/dbraw/zinc/83/14/95/558831495.db2.gz JGTJKFGCJPSLTI-ASAQIREPSA-N 0 0 405.483 5.137 40 30 HKEBRN CN(C)c1ccc(N2C(=S)SC(=N\c3ccccc3)/C2=N/c2ccccc2)cc1 ZINC000018118319 558831504 /nfs/dbraw/zinc/83/15/04/558831504.db2.gz DJWXJQJTFZVOEH-NUJSLWOLSA-N 0 0 416.575 6.051 40 30 HKEBRN c1ccc(/N=C2C(=N\c3ccccc3)\Sc3nc4cccc5cccc(c54)n3\2)cc1 ZINC000018127909 558831821 /nfs/dbraw/zinc/83/18/21/558831821.db2.gz DXLHLMAHDYNHRB-YZYVWJRPSA-N 0 0 404.498 6.604 40 30 HKEBRN CCOC(=O)Nc1ccc2c(c1)Cc1cc(N=Cc3ccc4c(c3)OCO4)ccc1-2 ZINC000018141973 558832026 /nfs/dbraw/zinc/83/20/26/558832026.db2.gz ZRWIWBUMPIUMED-DHRITJCHSA-N 0 0 400.434 5.306 40 30 HKEBRN CCN(CC)c1ccc(/N=C2\C=C(C(=O)Nc3ccccc3)C(=O)c3ccccc32)cc1 ZINC000018143009 558831963 /nfs/dbraw/zinc/83/19/63/558831963.db2.gz SOGANZAFQORHIT-AZPGRJICSA-N 0 0 423.516 5.415 40 30 HKEBRN O=C(Oc1ccc(/N=C/c2ccccc2)cc1)Oc1ccc(/N=C/c2ccccc2)cc1 ZINC000018154862 558832314 /nfs/dbraw/zinc/83/23/14/558832314.db2.gz CJDYJOHCNOYMGT-JUWMQZRYSA-N 0 0 420.468 6.766 40 30 HKEBRN Cc1ccc(/N=N/c2ccc(N(CCC#N)CCC#N)cc2C)c(Br)c1 ZINC000018168079 558832597 /nfs/dbraw/zinc/83/25/97/558832597.db2.gz KTQYMHQOZGQFBR-OCOZRVBESA-N 0 0 410.319 6.115 40 30 HKEBRN C=CCOc1ccc(C=C2SC(=Nc3ccc(Br)cc3)NC2=O)cc1 ZINC000018206855 558833357 /nfs/dbraw/zinc/83/33/57/558833357.db2.gz JBBFCNOHQWBMEK-SFQUDFHCSA-N 0 0 415.312 5.746 40 30 HKEBRN CC1(C)CC(=O)C(C(c2ccc([N+](=O)[O-])cc2)C2C(=O)CC(C)(C)CC2=O)C(=O)C1 ZINC000018211941 558833648 /nfs/dbraw/zinc/83/36/48/558833648.db2.gz YTYBJISIADDCNK-UHFFFAOYSA-N 0 0 413.470 5.081 40 30 HKEBRN O=C(Oc1ccc(/C=N/c2ccc(/N=N/c3ccccc3)cc2)cc1)c1ccccc1 ZINC000018255917 560871556 /nfs/dbraw/zinc/87/15/56/560871556.db2.gz DKQFTLDLEBKKMC-UXNDTFEGSA-N 0 0 405.457 7.072 40 30 HKEBRN O=C(C=Cc1ccc(Cl)cc1)[C@H]1C(=O)CN=C(c2ccccc2)[C@@H]1c1ccccc1 ZINC000019203728 558847522 /nfs/dbraw/zinc/84/75/22/558847522.db2.gz RQRCXSWMJGLQTL-GGCQMZMESA-N 0 0 413.904 5.394 40 30 HKEBRN O=C(C=Cc1ccc(Cl)cc1)[C@@H]1C(=O)CN=C(c2ccccc2)[C@@H]1c1ccccc1 ZINC000019203731 558847511 /nfs/dbraw/zinc/84/75/11/558847511.db2.gz RQRCXSWMJGLQTL-QQXGHWHYSA-N 0 0 413.904 5.394 40 30 HKEBRN O=C(C=Cc1ccc(Cl)cc1)[C@H]1C(=O)CN=C(c2ccccc2)[C@H]1c1ccccc1 ZINC000019203733 558847468 /nfs/dbraw/zinc/84/74/68/558847468.db2.gz RQRCXSWMJGLQTL-RVQAHCINSA-N 0 0 413.904 5.394 40 30 HKEBRN O=C(C=Cc1ccc(Cl)cc1)[C@@H]1C(=O)CN=C(c2ccccc2)[C@H]1c1ccccc1 ZINC000019203736 558847483 /nfs/dbraw/zinc/84/74/83/558847483.db2.gz RQRCXSWMJGLQTL-GUYDGBRCSA-N 0 0 413.904 5.394 40 30 HKEBRN COc1ccccc1C1N([C@@H](C#N)c2ccccc2)CCCN1[C@@H](C#N)c1ccccc1 ZINC000019325922 558867704 /nfs/dbraw/zinc/86/77/04/558867704.db2.gz BQOFUVSLYKFONO-DQEYMECFSA-N 0 0 422.532 5.231 40 30 HKEBRN COc1ccc(C2N([C@@H](C#N)c3ccccc3)CCCN2[C@@H](C#N)c2ccccc2)cc1 ZINC000019325928 558867693 /nfs/dbraw/zinc/86/76/93/558867693.db2.gz XBMQJWSKZJWBHU-UIOOFZCWSA-N 0 0 422.532 5.231 40 30 HKEBRN CCCCCCC1N([C@@H](C#N)c2ccccc2)CCCN1[C@@H](C#N)c1ccccc1 ZINC000019325946 519961961 /nfs/dbraw/zinc/96/19/61/519961961.db2.gz CZTOZKXKHPKASE-DQEYMECFSA-N 0 0 400.570 5.820 40 30 HKEBRN COc1ccccc1C1N=NC(=S)N1N=Cc1cc(C)n(C2CCCCC2)c1C ZINC000019634142 524289192 /nfs/dbraw/zinc/28/91/92/524289192.db2.gz JROGIFTZNANCBW-OEAKJJBVSA-N 0 0 409.559 5.048 40 30 HKEBRN N#Cc1cc2c(nc1SCc1ccc(Cl)cc1)CCN(Cc1ccccc1)C2 ZINC000019683193 569428401 /nfs/dbraw/zinc/42/84/01/569428401.db2.gz LJFMAPCPBRCDLE-UHFFFAOYSA-N 0 0 405.954 5.457 40 30 HKEBRN Clc1ccccc1CN1CCN(/N=C\c2ccc(OCc3ccccc3)cc2)CC1 ZINC000019790545 569326848 /nfs/dbraw/zinc/32/68/48/569326848.db2.gz HEKBRBDMBAWBPV-IMRQLAEWSA-N 0 0 419.956 5.071 40 30 HKEBRN Clc1ccccc1CN1CCN(/N=C\c2cccc(OCc3ccccc3)c2)CC1 ZINC000019790550 558282495 /nfs/dbraw/zinc/28/24/95/558282495.db2.gz RDKROQLFNRIYMY-IMRQLAEWSA-N 0 0 419.956 5.071 40 30 HKEBRN CC(C)CCC[C@H](C)[C@H]1CC[C@@H]2[C@@H]3C[C@H]4O[C@]45C[C@@H](O)CC[C@]5(C)[C@@H]3CC[C@]12C ZINC000019801976 560094188 /nfs/dbraw/zinc/09/41/88/560094188.db2.gz PRYIJAGAEJZDBO-VINYQDLDSA-N 0 0 402.663 6.600 40 30 biogenic,in-vitro HKEBRN N#CC1(C#N)[C@@H](c2ccsc2)[C@H](C(=O)c2cccs2)N2C=Cc3ccccc3[C@H]21 ZINC000019817756 560885529 /nfs/dbraw/zinc/88/55/29/560885529.db2.gz MANGFGHGCHDVHO-VWPQPMDRSA-N 0 0 413.527 5.219 40 30 HKEBRN COc1ccc(-c2cc(-c3ccc(Cl)c(Cl)c3)nc(N)c2C#N)cc1OC ZINC000019832468 569430950 /nfs/dbraw/zinc/43/09/50/569430950.db2.gz QQOFYMYOXGDLIY-UHFFFAOYSA-N 0 0 400.265 5.193 40 30 HKEBRN CCOc1cc(-c2cc(-c3ccc(Cl)c(Cl)c3)nc(N)c2C#N)ccc1O ZINC000019832541 569430928 /nfs/dbraw/zinc/43/09/28/569430928.db2.gz QGPQMLCWPYNUBW-UHFFFAOYSA-N 0 0 400.265 5.281 40 30 HKEBRN Cc1ccc(CN2CCN(/N=C\c3c4ccccc4cc4ccccc43)CC2)c(C)c1 ZINC000019850387 558295408 /nfs/dbraw/zinc/29/54/08/558295408.db2.gz ZKNBWFMWALNMPJ-CEUNXORHSA-N 0 0 407.561 5.762 40 30 HKEBRN O=S(=O)(c1ccccc1)N(Cc1ccccc1)c1ccc(/N=C/c2ccco2)cc1 ZINC000019855673 569349154 /nfs/dbraw/zinc/34/91/54/569349154.db2.gz SPEJPRAEYQAJKE-XIEYBQDHSA-N 0 0 416.502 5.426 40 30 HKEBRN C=CCn1c(-c2c(C)oc3ccccc32)cs/c1=N\S(=O)(=O)c1ccc(C)cc1 ZINC000019883799 560876746 /nfs/dbraw/zinc/87/67/46/560876746.db2.gz NNLIRRQBGVBXBY-FCQUAONHSA-N 0 0 424.547 5.055 40 30 HKEBRN Cc1ccc(-c2nc(/N=C/c3cccc4ccccc34)sc2-c2ccccc2)cc1 ZINC000019894551 558303704 /nfs/dbraw/zinc/30/37/04/558303704.db2.gz WCFQCZYNHRDIKT-MTDXEUNCSA-N 0 0 404.538 7.689 40 30 HKEBRN CCOc1c(Cl)cc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)cc1Cl ZINC000019973647 560877914 /nfs/dbraw/zinc/87/79/14/560877914.db2.gz KDXBPMJIAVEQRI-UHFFFAOYSA-N 0 0 406.309 5.093 40 30 HKEBRN CCCOc1c(Cl)cc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)cc1Cl ZINC000019973648 520294437 /nfs/dbraw/zinc/29/44/37/520294437.db2.gz ZJGHDUZFUSKQCQ-UHFFFAOYSA-N 0 0 420.336 5.483 40 30 HKEBRN CC(C)c1nnc(SCC(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)o1 ZINC000020034510 519890916 /nfs/dbraw/zinc/89/09/16/519890916.db2.gz CREGTTWOBSPQHN-LBPRGKRZSA-N 0 0 418.588 5.008 40 30 HKEBRN CC(C)c1nnc(SCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)o1 ZINC000020034513 519890967 /nfs/dbraw/zinc/89/09/67/519890967.db2.gz CREGTTWOBSPQHN-GFCCVEGCSA-N 0 0 418.588 5.008 40 30 HKEBRN CSc1ccc(NC(=O)NCCCNc2nc3cc(C)cc(C)c3cc2C#N)cc1 ZINC000020151184 526031478 /nfs/dbraw/zinc/03/14/78/526031478.db2.gz KPMACNRAFZAVLJ-UHFFFAOYSA-N 0 0 419.554 5.069 40 30 HKEBRN CCOc1ccc(/N=C2/Sc3nc4ccc(C)cc4cc3CN2CCOC)cc1 ZINC000020152678 560881712 /nfs/dbraw/zinc/88/17/12/560881712.db2.gz ZMORNKOPLONKIQ-WCWDXBQESA-N 0 0 407.539 5.184 40 30 HKEBRN COc1ccc(CN/N=C/c2ccccc2OCc2ccccc2Cl)cc1OC ZINC000020195671 558344987 /nfs/dbraw/zinc/34/49/87/558344987.db2.gz KCZAGHNBUZYMOM-CVKSISIWSA-N 0 0 410.901 5.060 40 30 HKEBRN COc1ccc(CN/N=C/c2ccccc2OCc2cccc(Cl)c2)cc1OC ZINC000020195673 558345044 /nfs/dbraw/zinc/34/50/44/558345044.db2.gz VJMUYBBRYUJKSW-CVKSISIWSA-N 0 0 410.901 5.060 40 30 HKEBRN COc1ccc(CN/N=C/c2ccccc2OCc2ccc(Cl)cc2)cc1OC ZINC000020195675 524017872 /nfs/dbraw/zinc/01/78/72/524017872.db2.gz QSRJLZHSSHLIIB-CVKSISIWSA-N 0 0 410.901 5.060 40 30 HKEBRN COc1ccc(CN/N=C/c2ccc(OCc3ccccc3Cl)cc2)cc1OC ZINC000020195716 558345006 /nfs/dbraw/zinc/34/50/06/558345006.db2.gz HXWYNPVSBMAKNG-AFUMVMLFSA-N 0 0 410.901 5.060 40 30 HKEBRN COc1ccc(CN/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)cc1OC ZINC000020195718 558344978 /nfs/dbraw/zinc/34/49/78/558344978.db2.gz LGLSBKMSRYOUDZ-AFUMVMLFSA-N 0 0 410.901 5.060 40 30 HKEBRN COc1ccc(CN/N=C/c2ccc(-c3cccc(Cl)c3Cl)o2)cc1OC ZINC000020195860 524017769 /nfs/dbraw/zinc/01/77/69/524017769.db2.gz QACSMUUDIZWCSQ-WYMPLXKRSA-N 0 0 405.281 5.394 40 30 HKEBRN COc1ccc(CN/N=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1OC ZINC000020195862 524018063 /nfs/dbraw/zinc/01/80/63/524018063.db2.gz UVXHKIVZPQMXQO-WYMPLXKRSA-N 0 0 405.281 5.394 40 30 HKEBRN COc1ccc(CN/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1OC ZINC000020195864 558345075 /nfs/dbraw/zinc/34/50/75/558345075.db2.gz YYZPIDPMGBLDMN-WYMPLXKRSA-N 0 0 405.281 5.394 40 30 HKEBRN COc1ccc(CN/N=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)cc1OC ZINC000020195867 524017895 /nfs/dbraw/zinc/01/78/95/524017895.db2.gz PIXJKBYDSCMVNL-WYMPLXKRSA-N 0 0 405.281 5.394 40 30 HKEBRN COc1ccc(CN/N=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)cc1OC ZINC000020195882 558345027 /nfs/dbraw/zinc/34/50/27/558345027.db2.gz JFWTVPWJXHLPKE-LGJNPRDNSA-N 0 0 404.388 5.106 40 30 HKEBRN COc1ccc(CN/N=C/c2cn(Cc3ccc(C)cc3)c3ccccc23)cc1OC ZINC000020196054 524018054 /nfs/dbraw/zinc/01/80/54/524018054.db2.gz VKXXDNTWUJYVQC-LQKURTRISA-N 0 0 413.521 5.139 40 30 HKEBRN COc1ccc(CN/N=C/c2cn(Cc3ccccc3C)c3ccccc23)cc1OC ZINC000020196057 558345242 /nfs/dbraw/zinc/34/52/42/558345242.db2.gz UTTJWYCRZGFWRQ-LQKURTRISA-N 0 0 413.521 5.139 40 30 HKEBRN COc1ccc(CN/N=C/c2cccc(OCc3ccccc3Cl)c2)cc1OC ZINC000020196083 558345196 /nfs/dbraw/zinc/34/51/96/558345196.db2.gz MRQWAVCILODBJW-AFUMVMLFSA-N 0 0 410.901 5.060 40 30 HKEBRN COc1ccc(CN/N=C/c2cccc(OCc3ccc(Cl)cc3)c2)cc1OC ZINC000020196085 558345244 /nfs/dbraw/zinc/34/52/44/558345244.db2.gz ZAEAVTFPNQKACU-AFUMVMLFSA-N 0 0 410.901 5.060 40 30 HKEBRN COc1ccc(CN/N=C/c2cc(C)n(-c3cccc4ccccc43)c2C)cc1OC ZINC000020196184 524017585 /nfs/dbraw/zinc/01/75/85/524017585.db2.gz ZFOLQGUDVPNKGN-OGLMXYFKSA-N 0 0 413.521 5.388 40 30 HKEBRN COc1ccc(CN/N=C/c2cc(C)n(-c3ccc(C)c(Cl)c3)c2C)cc1OC ZINC000020196232 558345228 /nfs/dbraw/zinc/34/52/28/558345228.db2.gz UAYDIOFQBOUQAP-VULFUBBASA-N 0 0 411.933 5.197 40 30 HKEBRN COc1ccc(CN/N=C/c2cc(C)n(-c3cc(Cl)ccc3C)c2C)cc1OC ZINC000020196235 558345177 /nfs/dbraw/zinc/34/51/77/558345177.db2.gz SNEXVUQDOIWBGF-VULFUBBASA-N 0 0 411.933 5.197 40 30 HKEBRN COc1ccc(CNN=Cc2cc(Cl)ccc2OCc2ccccc2)cc1OC ZINC000020196317 558345234 /nfs/dbraw/zinc/34/52/34/558345234.db2.gz OUCUOONFNZFKQW-CVKSISIWSA-N 0 0 410.901 5.060 40 30 HKEBRN COc1ccc(CN/N=C/c2cc(Cl)ccc2OCc2ccc(C)cc2)cc1OC ZINC000020196341 524017934 /nfs/dbraw/zinc/01/79/34/524017934.db2.gz LABDDUAMDCKXDQ-JFLMPSFJSA-N 0 0 424.928 5.368 40 30 HKEBRN COc1ccc(CN/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)cc1OC ZINC000020196357 558345187 /nfs/dbraw/zinc/34/51/87/558345187.db2.gz FJANUYFXNRGURH-AFUMVMLFSA-N 0 0 410.901 5.060 40 30 HKEBRN COc1ccc(CNN=Cc2cccc(OCc3cccc(Cl)c3)c2)cc1OC ZINC000020196383 558345207 /nfs/dbraw/zinc/34/52/07/558345207.db2.gz AWQZRJOLQPKDFO-AFUMVMLFSA-N 0 0 410.901 5.060 40 30 HKEBRN COc1ccc(CN/N=C/c2c(C)n(Cc3ccccc3)c3ccccc23)cc1OC ZINC000020196631 524016632 /nfs/dbraw/zinc/01/66/32/524016632.db2.gz FLUSCSJVTCVXDE-OGLMXYFKSA-N 0 0 413.521 5.139 40 30 HKEBRN COc1ccc(CN/N=C/c2cc(C)n(-c3cccc(Cl)c3C)c2C)cc1OC ZINC000020196742 558345481 /nfs/dbraw/zinc/34/54/81/558345481.db2.gz KCNLUSVAZUBSCB-VULFUBBASA-N 0 0 411.933 5.197 40 30 HKEBRN O=C(Oc1ccc(/C=N/c2ccc(CSc3ccccc3)cc2)cc1)c1ccccc1 ZINC000020242137 569349618 /nfs/dbraw/zinc/34/96/18/569349618.db2.gz WNRNQBZZHQMORQ-TURZUDJPSA-N 0 0 423.537 6.949 40 30 HKEBRN C(=N/c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)\c1c2ccccc2cc2ccccc21 ZINC000020242172 569349611 /nfs/dbraw/zinc/34/96/11/569349611.db2.gz YFGVBQJHQGRQMY-UZWMFBFFSA-N 0 0 415.580 8.211 40 30 HKEBRN C(=N/c1ccc(CSc2ccccc2)cc1)\c1c2ccccc2cc2ccccc21 ZINC000020242184 569349604 /nfs/dbraw/zinc/34/96/04/569349604.db2.gz YTIPYSRJDVDSHS-VUTHCHCSSA-N 0 0 403.550 8.036 40 30 HKEBRN COc1ccc(C2=C(NN3CCC(Cc4ccccc4)CC3)c3ccccc3C2=O)cc1 ZINC000020248185 558351614 /nfs/dbraw/zinc/35/16/14/558351614.db2.gz XPMONDJRIKFYQQ-UHFFFAOYSA-N 0 0 424.544 5.219 40 30 HKEBRN Cc1cc(C)c(CSc2nnc(NN=Cc3cccc(Cl)c3Cl)[nH]2)c(C)c1 ZINC000020344384 558356306 /nfs/dbraw/zinc/35/63/06/558356306.db2.gz KUSFRLHDDCGUTB-LSFURLLWSA-N 0 0 420.369 5.775 40 30 HKEBRN Cc1ccccc1C(=O)O/N=C1\c2ccccc2N(Cc2cccc3ccccc32)C1=O ZINC000020418434 558361341 /nfs/dbraw/zinc/36/13/41/558361341.db2.gz YFSJICJKANZCKK-AZPGRJICSA-N 0 0 420.468 5.256 40 30 HKEBRN N#Cc1c2c(sc1NC(=O)c1cc(-c3ccc(Cl)c(Cl)c3)on1)CCC2 ZINC000020436531 568606700 /nfs/dbraw/zinc/60/67/00/568606700.db2.gz JXULIJNMTKGIDO-UHFFFAOYSA-N 0 0 404.278 5.323 40 30 HKEBRN C=CCOc1cccc(NC(=O)c2ccc(OCCSc3ccccc3)cc2)c1 ZINC000020451269 569018914 /nfs/dbraw/zinc/01/89/14/569018914.db2.gz YQFNBGCMGIJSPQ-UHFFFAOYSA-N 0 0 405.519 5.675 40 30 HKEBRN Clc1ccc(C=NNc2nnc(SCc3ccc(Cl)c(Cl)c3)[nH]2)cc1 ZINC000020457372 558370531 /nfs/dbraw/zinc/37/05/31/558370531.db2.gz JGEQVSIGCIMROJ-DNTJNYDQSA-N 0 0 412.733 5.503 40 30 HKEBRN N#CC1(C#N)[C@@H](c2cccs2)[C@H](C(=O)c2ccccc2)N2C=Cc3ccccc3[C@H]21 ZINC000020459093 568609711 /nfs/dbraw/zinc/60/97/11/568609711.db2.gz XMQDLKBYPKWGHM-ZDXQCDESSA-N 0 0 407.498 5.158 40 30 HKEBRN N#CC1(C#N)[C@@H](c2ccsc2)[C@H](C(=O)c2ccccc2)N2C=Cc3ccccc3[C@H]21 ZINC000020459097 568609779 /nfs/dbraw/zinc/60/97/79/568609779.db2.gz BCTDQUNEHWVSRF-ZDXQCDESSA-N 0 0 407.498 5.158 40 30 HKEBRN COc1cc(OC)cc([C@@H]2[C@@H](C(C)(C)C)C(C#N)(C#N)[C@H]3c4ccccc4C=CN32)c1 ZINC000020459348 568609738 /nfs/dbraw/zinc/60/97/38/568609738.db2.gz YJFFLXRXAJPNAM-TZRRMPRUSA-N 0 0 413.521 5.482 40 30 HKEBRN C[C@@H]1[C@@H](c2ccc(F)c(Br)c2)N2C=Cc3ccccc3[C@@H]2C1(C#N)C#N ZINC000020459350 568609789 /nfs/dbraw/zinc/60/97/89/568609789.db2.gz QBTLLGDSMCGLPH-CAYVGHNUSA-N 0 0 408.274 5.340 40 30 HKEBRN CCCCc1sc(-c2c(C#N)c(N)nc3c2CCCCC3)cc1Br ZINC000020470134 568610832 /nfs/dbraw/zinc/61/08/32/568610832.db2.gz JITKZVFNTBGDJP-UHFFFAOYSA-N 0 0 404.377 5.638 40 30 HKEBRN N#CC1(C#N)[C@@H](c2ccccc2)[C@H](C(=O)c2ccccc2)N2C=Cc3ccccc3[C@H]21 ZINC000020528889 558383940 /nfs/dbraw/zinc/38/39/40/558383940.db2.gz PPBABPDVOHWTOJ-GSLIJJQTSA-N 0 0 401.469 5.096 40 30 HKEBRN N#Cc1cc2c(nc1SCC(=O)Nc1nc(-c3ccccc3)cs1)CCCCC2 ZINC000020530476 568625730 /nfs/dbraw/zinc/62/57/30/568625730.db2.gz QTAQUBFFWANIGY-UHFFFAOYSA-N 0 0 420.563 5.076 40 30 HKEBRN O=C(O/N=C1\c2ccccc2N(Cc2cccc3ccccc32)C1=O)c1cccs1 ZINC000020533988 558385257 /nfs/dbraw/zinc/38/52/57/558385257.db2.gz HOPHXGUAGUJVDF-YYDJUVGSSA-N 0 0 412.470 5.009 40 30 HKEBRN COc1cc(/C=N/N=C2\CC[C@@H]3[C@@H]4CCc5cc(O)ccc5[C@@H]4CC[C@]23C)ccc1O ZINC000020572597 569349664 /nfs/dbraw/zinc/34/96/64/569349664.db2.gz LWFIYCGPQQWUES-LWMZTYRKSA-N 0 0 418.537 5.438 40 30 HKEBRN COc1cc(/C=N/N=C2\CC[C@H]3[C@H]4CCc5cc(O)ccc5[C@@H]4CC[C@]23C)ccc1O ZINC000020572602 521986719 /nfs/dbraw/zinc/98/67/19/521986719.db2.gz LWFIYCGPQQWUES-MPPVBHRFSA-N 0 0 418.537 5.438 40 30 HKEBRN C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC/C2=N\N=C\c1ccc(Cl)cc1 ZINC000020572612 568457289 /nfs/dbraw/zinc/45/72/89/568457289.db2.gz PZMASCFNOYVBCT-VJGSLMQASA-N 0 0 406.957 6.377 40 30 HKEBRN C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC/C2=N\N=C\c1ccc([N+](=O)[O-])cc1 ZINC000020572627 525351096 /nfs/dbraw/zinc/35/10/96/525351096.db2.gz NKPCGAOAWVPOES-RBOOUSOPSA-N 0 0 417.509 5.632 40 30 HKEBRN COc1ccc2c(c1)CC[C@H]1[C@@H]3C/C(=C\c4ccc(C(C)C)cc4)C(=O)[C@@]3(C)CC[C@@H]21 ZINC000020607802 525534015 /nfs/dbraw/zinc/53/40/15/525534015.db2.gz LYWNEJOPIMJYIT-BXGNBJRRSA-N 0 0 414.589 6.937 40 30 HKEBRN C=CCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000020633212 518974033 /nfs/dbraw/zinc/97/40/33/518974033.db2.gz YUADVZLFBZBFHX-LJQANCHMSA-N 0 0 414.292 5.361 40 30 HKEBRN C=CCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000020633215 518973249 /nfs/dbraw/zinc/97/32/49/518973249.db2.gz YUADVZLFBZBFHX-IBGZPJMESA-N 0 0 414.292 5.361 40 30 HKEBRN C=CCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@@H]1c1ccc(Cl)cc1Cl ZINC000020633230 518973831 /nfs/dbraw/zinc/97/38/31/518973831.db2.gz PDSMEWMQNOQFAV-LJQANCHMSA-N 0 0 414.292 5.361 40 30 HKEBRN C=CCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@H]1c1ccc(Cl)cc1Cl ZINC000020633233 518973764 /nfs/dbraw/zinc/97/37/64/518973764.db2.gz PDSMEWMQNOQFAV-IBGZPJMESA-N 0 0 414.292 5.361 40 30 HKEBRN COc1ccc(-c2cc(-c3ccc4ccccc4c3)nc3nc(SCC#N)nn32)cc1 ZINC000020635903 523083225 /nfs/dbraw/zinc/08/32/25/523083225.db2.gz ICJMJMHUPHXISY-UHFFFAOYSA-N 0 0 423.501 5.236 40 30 HKEBRN C=CCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@@H]1c1cccc(OCCCC)c1 ZINC000020672448 518974224 /nfs/dbraw/zinc/97/42/24/518974224.db2.gz IXSSONSNHOTHQE-HSZRJFAPSA-N 0 0 417.509 5.233 40 30 HKEBRN C=CCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@H]1c1cccc(OCCCC)c1 ZINC000020672451 518973753 /nfs/dbraw/zinc/97/37/53/518973753.db2.gz IXSSONSNHOTHQE-QHCPKHFHSA-N 0 0 417.509 5.233 40 30 HKEBRN CC(=O)C1C(C)=Nc2nc3ccccc3n2[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000020672573 519368863 /nfs/dbraw/zinc/36/88/63/519368863.db2.gz FXIIWRSSNQNNOW-RUZDIDTESA-N 0 0 409.489 5.493 40 30 HKEBRN CC(=O)C1C(C)=Nc2nc3ccccc3n2[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC000020672576 519367997 /nfs/dbraw/zinc/36/79/97/519367997.db2.gz FXIIWRSSNQNNOW-VWLOTQADSA-N 0 0 409.489 5.493 40 30 HKEBRN COc1ccccc1CN/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl ZINC000020761223 568458057 /nfs/dbraw/zinc/45/80/57/568458057.db2.gz QPXOQXHNKNHCLR-VULFUBBASA-N 0 0 415.320 5.705 40 30 HKEBRN COc1ccccc1CN/N=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1 ZINC000020761247 568458152 /nfs/dbraw/zinc/45/81/52/568458152.db2.gz QOUNVASLRAYXAM-VULFUBBASA-N 0 0 415.320 5.705 40 30 HKEBRN COc1ccccc1CN/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000020761326 568458087 /nfs/dbraw/zinc/45/80/87/568458087.db2.gz WIZKPNYODSAHPZ-DHRITJCHSA-N 0 0 415.320 5.705 40 30 HKEBRN COc1ccccc1CN/N=C/c1ccc(OCc2ccccc2Cl)c(OC)c1 ZINC000020761477 568458173 /nfs/dbraw/zinc/45/81/73/568458173.db2.gz VKZVGQHLNLMVRV-AFUMVMLFSA-N 0 0 410.901 5.060 40 30 HKEBRN COc1ccccc1CN/N=C/c1ccc(OCc2ccc(Cl)cc2)c(OC)c1 ZINC000020761482 568458156 /nfs/dbraw/zinc/45/81/56/568458156.db2.gz QZABVHMWPVBVOM-AFUMVMLFSA-N 0 0 410.901 5.060 40 30 HKEBRN CCOc1cc(/C=N/NCc2ccccc2OC)ccc1OCc1ccccc1Cl ZINC000020761618 568458336 /nfs/dbraw/zinc/45/83/36/568458336.db2.gz BMNYJHPUSBLINY-CVKSISIWSA-N 0 0 424.928 5.450 40 30 HKEBRN CCOc1cc(/C=N/NCc2ccccc2OC)ccc1OCc1ccc(Cl)cc1 ZINC000020761623 568458367 /nfs/dbraw/zinc/45/83/67/568458367.db2.gz DJWBDMHSHSSCHJ-CVKSISIWSA-N 0 0 424.928 5.450 40 30 HKEBRN COc1ccccc1CN/N=C/c1cn(Cc2ccccc2Cl)c2ccccc12 ZINC000020762125 568458465 /nfs/dbraw/zinc/45/84/65/568458465.db2.gz LMVBCFVHUOIWDM-JFLMPSFJSA-N 0 0 403.913 5.475 40 30 HKEBRN COc1ccccc1CN/N=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12 ZINC000020762129 568458514 /nfs/dbraw/zinc/45/85/14/568458514.db2.gz CAQSVAPZIZMTHG-JFLMPSFJSA-N 0 0 403.913 5.475 40 30 HKEBRN COc1ccccc1CN/N=C/c1cn(Cc2cccc3ccccc32)c2ccccc12 ZINC000020762154 568458453 /nfs/dbraw/zinc/45/84/53/568458453.db2.gz CZXHWKYFQLSARM-UXHLAJHPSA-N 0 0 419.528 5.975 40 30 HKEBRN COc1ccccc1CN/N=C/c1c(C)n(Cc2ccccc2Cl)c2ccccc12 ZINC000020762174 568458530 /nfs/dbraw/zinc/45/85/30/568458530.db2.gz HQZYBXUOZJABOX-LQKURTRISA-N 0 0 417.940 5.784 40 30 HKEBRN COc1ccccc1CN/N=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1 ZINC000020762237 568458473 /nfs/dbraw/zinc/45/84/73/568458473.db2.gz NOXKMAVVZKFACI-DHRITJCHSA-N 0 0 415.320 5.705 40 30 HKEBRN COc1ccccc1CN/N=C/c1cc(C)n(-c2cccc(Cl)c2Cl)c1C ZINC000020762481 568458502 /nfs/dbraw/zinc/45/85/02/568458502.db2.gz BKSVDEQFVIOBQO-DHRITJCHSA-N 0 0 402.325 5.533 40 30 HKEBRN COc1ccccc1CN/N=C/c1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C ZINC000020762485 568458484 /nfs/dbraw/zinc/45/84/84/568458484.db2.gz SSQZRAWUPUKYIG-DHRITJCHSA-N 0 0 402.325 5.533 40 30 HKEBRN COc1ccccc1CN/N=C/c1cc(C)n(-c2ccc(Cl)cc2Cl)c1C ZINC000020762490 568458538 /nfs/dbraw/zinc/45/85/38/568458538.db2.gz GQJIZUMIBLEXPV-DHRITJCHSA-N 0 0 402.325 5.533 40 30 HKEBRN COc1ccccc1CN/N=C/c1cc(C)n(-c2cc(Cl)ccc2Cl)c1C ZINC000020762494 568458551 /nfs/dbraw/zinc/45/85/51/568458551.db2.gz YPYXAERHWJDVLK-DHRITJCHSA-N 0 0 402.325 5.533 40 30 HKEBRN COc1ccccc1CN/N=C/c1c(C)n(Cc2ccc(F)cc2)c2ccccc12 ZINC000020762587 568458488 /nfs/dbraw/zinc/45/84/88/568458488.db2.gz OIJRFQHPXXZVJY-LQKURTRISA-N 0 0 401.485 5.269 40 30 HKEBRN COc1ccccc1CN/N=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1 ZINC000020762690 568458556 /nfs/dbraw/zinc/45/85/56/568458556.db2.gz LQBGDZZKUVYXKB-VULFUBBASA-N 0 0 415.320 5.705 40 30 HKEBRN COc1ccccc1CN/N=C/c1cc(Cl)ccc1OCc1ccccc1Cl ZINC000020762749 568458610 /nfs/dbraw/zinc/45/86/10/568458610.db2.gz FAMIPAVSOGVTDU-VULFUBBASA-N 0 0 415.320 5.705 40 30 HKEBRN COc1ccccc1CN/N=C/c1cc(Cl)ccc1OCc1ccc(Cl)cc1 ZINC000020762753 568458600 /nfs/dbraw/zinc/45/86/00/568458600.db2.gz UMWHRTDZJITZAF-VULFUBBASA-N 0 0 415.320 5.705 40 30 HKEBRN COc1ccccc1CN/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 ZINC000020762841 568458634 /nfs/dbraw/zinc/45/86/34/568458634.db2.gz VSBMOKOUBOCKQP-DHRITJCHSA-N 0 0 415.320 5.705 40 30 HKEBRN COc1ccccc1CN/N=C/c1cccc(OCc2ccc(Cl)c(Cl)c2)c1 ZINC000020762904 568458612 /nfs/dbraw/zinc/45/86/12/568458612.db2.gz PLAAKZNQVFMRME-DHRITJCHSA-N 0 0 415.320 5.705 40 30 HKEBRN COc1ccccc1CN/N=C/c1ccc(OCc2cccc(Cl)c2)c(OC)c1 ZINC000020762970 568458586 /nfs/dbraw/zinc/45/85/86/568458586.db2.gz PMNFZJHLVOZQBP-AFUMVMLFSA-N 0 0 410.901 5.060 40 30 HKEBRN COc1ccccc1CN/N=C/c1cc(Cl)c(OCc2ccccc2)c(OC)c1 ZINC000020763045 568458583 /nfs/dbraw/zinc/45/85/83/568458583.db2.gz PIVKWQCDYISCRN-AFUMVMLFSA-N 0 0 410.901 5.060 40 30 HKEBRN CCOc1cc(/C=N/NCc2ccccc2OC)ccc1OCc1cccc(Cl)c1 ZINC000020763172 568458559 /nfs/dbraw/zinc/45/85/59/568458559.db2.gz RDFQNBVWAFNRPQ-CVKSISIWSA-N 0 0 424.928 5.450 40 30 HKEBRN CCOc1cc(/C=N/NCc2ccccc2OC)ccc1OCc1ccc(C)cc1 ZINC000020763197 568458623 /nfs/dbraw/zinc/45/86/23/568458623.db2.gz ZXKZLSBWZOUYPW-WGOQTCKBSA-N 0 0 404.510 5.105 40 30 HKEBRN CCOc1cc(/C=N/NCc2ccccc2OC)cc(Cl)c1OCc1ccccc1 ZINC000020763215 568458590 /nfs/dbraw/zinc/45/85/90/568458590.db2.gz XKZOEXWTQMHZNX-CVKSISIWSA-N 0 0 424.928 5.450 40 30 HKEBRN COc1ccccc1CN/N=C/c1c(OCc2ccc(F)cc2)ccc2ccccc21 ZINC000020763454 568458738 /nfs/dbraw/zinc/45/87/38/568458738.db2.gz AEMDDDKPNRSRSK-STBIYBPSSA-N 0 0 414.480 5.690 40 30 HKEBRN COc1ccccc1CN/N=C/c1c(OCc2ccccc2C#N)ccc2ccccc21 ZINC000020763476 568458752 /nfs/dbraw/zinc/45/87/52/568458752.db2.gz UYTPVCRDCCVELI-UXHLAJHPSA-N 0 0 421.500 5.423 40 30 HKEBRN COc1ccccc1CN/N=C/c1c(OCc2ccc(C)cc2)ccc2ccccc21 ZINC000020763481 568458767 /nfs/dbraw/zinc/45/87/67/568458767.db2.gz FDVJWFVIBXZOLX-RDRPBHBLSA-N 0 0 410.517 5.860 40 30 HKEBRN COc1ccccc1CN/N=C/c1c(OCc2ccc(C#N)cc2)ccc2ccccc21 ZINC000020763486 568458662 /nfs/dbraw/zinc/45/86/62/568458662.db2.gz APULZAPGNJRKSD-UXHLAJHPSA-N 0 0 421.500 5.423 40 30 HKEBRN COc1ccccc1CN/N=C/c1c(OCc2cccc(C#N)c2)ccc2ccccc21 ZINC000020763491 568458736 /nfs/dbraw/zinc/45/87/36/568458736.db2.gz MBGLIKWOABNFRN-UXHLAJHPSA-N 0 0 421.500 5.423 40 30 HKEBRN COc1ccccc1CN/N=C/c1cn(Cc2cccc(Cl)c2)c2ccccc12 ZINC000020763512 568458680 /nfs/dbraw/zinc/45/86/80/568458680.db2.gz VRNLPSBGCBDUMT-JFLMPSFJSA-N 0 0 403.913 5.475 40 30 HKEBRN COc1ccccc1CN/N=C/c1c(C)n(Cc2cccc(Cl)c2)c2ccccc12 ZINC000020763540 568458667 /nfs/dbraw/zinc/45/86/67/568458667.db2.gz QRXFKYNLSNKYSU-LQKURTRISA-N 0 0 417.940 5.784 40 30 HKEBRN COc1ccccc1CN/N=C/c1c(C)n(Cc2ccc(Cl)cc2)c2ccccc12 ZINC000020763545 568458774 /nfs/dbraw/zinc/45/87/74/568458774.db2.gz ZSMVPTRPXNOLDF-LQKURTRISA-N 0 0 417.940 5.784 40 30 HKEBRN COc1ccccc1CN/N=C/c1c(C)n(Cc2ccccc2C#N)c2ccccc12 ZINC000020763574 568458744 /nfs/dbraw/zinc/45/87/44/568458744.db2.gz KOYFWWGMDTUCSZ-STBIYBPSSA-N 0 0 408.505 5.002 40 30 HKEBRN COc1ccccc1CN/N=C/c1c(C)n(Cc2ccc(C#N)cc2)c2ccccc12 ZINC000020763589 568458673 /nfs/dbraw/zinc/45/86/73/568458673.db2.gz NOVCPRYXWOMNBB-STBIYBPSSA-N 0 0 408.505 5.002 40 30 HKEBRN COc1ccccc1CN/N=C/c1c(C)n(Cc2cccc(C#N)c2)c2ccccc12 ZINC000020763595 568458668 /nfs/dbraw/zinc/45/86/68/568458668.db2.gz XGBXTTYXYCWYEU-STBIYBPSSA-N 0 0 408.505 5.002 40 30 HKEBRN CC1[C@H]2CCCC[C@]2(C#N)N(Cc2ccccc2C(F)(F)F)[C@@]2(C#N)CCCC[C@@H]12 ZINC000020792761 521057799 /nfs/dbraw/zinc/05/77/99/521057799.db2.gz SOTMWCFQLUSXKP-HRLHRBDXSA-N 0 0 415.503 6.062 40 30 HKEBRN COc1cc([C@@H]2C(C(C)=O)C(C)=Nc3nc4ccccc4n32)ccc1OCCC(C)C ZINC000020797166 522919742 /nfs/dbraw/zinc/91/97/42/522919742.db2.gz DOMWUDZDRMCXKM-XMMPIXPASA-N 0 0 419.525 5.348 40 30 HKEBRN COc1cc([C@H]2C(C(C)=O)C(C)=Nc3nc4ccccc4n32)ccc1OCCC(C)C ZINC000020797170 522957147 /nfs/dbraw/zinc/95/71/47/522957147.db2.gz DOMWUDZDRMCXKM-DEOSSOPVSA-N 0 0 419.525 5.348 40 30 HKEBRN CCCCOc1ccc([C@@H]2C(C(C)=O)C(C)=Nc3nc4ccccc4n32)cc1OC ZINC000020797190 520894153 /nfs/dbraw/zinc/89/41/53/520894153.db2.gz FMNSEEBZGHVGLK-HSZRJFAPSA-N 0 0 405.498 5.102 40 30 HKEBRN CCCCOc1ccc([C@H]2C(C(C)=O)C(C)=Nc3nc4ccccc4n32)cc1OC ZINC000020797194 520896548 /nfs/dbraw/zinc/89/65/48/520896548.db2.gz FMNSEEBZGHVGLK-QHCPKHFHSA-N 0 0 405.498 5.102 40 30 HKEBRN CCCOc1ccc([C@@H]2C(C(C)=O)C(C)=Nc3nc4ccccc4n32)cc1OCC ZINC000020797213 520420996 /nfs/dbraw/zinc/42/09/96/520420996.db2.gz JMPBWTXQGDUUMI-HSZRJFAPSA-N 0 0 405.498 5.102 40 30 HKEBRN CCCOc1ccc([C@H]2C(C(C)=O)C(C)=Nc3nc4ccccc4n32)cc1OCC ZINC000020797217 520431494 /nfs/dbraw/zinc/43/14/94/520431494.db2.gz JMPBWTXQGDUUMI-QHCPKHFHSA-N 0 0 405.498 5.102 40 30 HKEBRN CCCCOc1ccc([C@@H]2C(C(C)=O)C(C)=Nc3nc4ccccc4n32)cc1OCC ZINC000020797221 520894977 /nfs/dbraw/zinc/89/49/77/520894977.db2.gz MKMHRJOOTVQGPG-XMMPIXPASA-N 0 0 419.525 5.492 40 30 HKEBRN CCCCOc1ccc([C@H]2C(C(C)=O)C(C)=Nc3nc4ccccc4n32)cc1OCC ZINC000020797225 520897642 /nfs/dbraw/zinc/89/76/42/520897642.db2.gz MKMHRJOOTVQGPG-DEOSSOPVSA-N 0 0 419.525 5.492 40 30 HKEBRN CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(=O)O[C@H](C#N)c1cccc(Oc2ccccc2)c1 ZINC000021299910 520628753 /nfs/dbraw/zinc/62/87/53/520628753.db2.gz KAATUXNTWXVJKI-NSHGMRRFSA-N 0 0 416.304 6.178 40 30 in-vitro HKEBRN CCCCCCc1cc2cc(/C(C)=N/Nc3ccc([N+](=O)[O-])cc3)c(=O)oc2cc1O ZINC000021487040 520136590 /nfs/dbraw/zinc/13/65/90/520136590.db2.gz QISSZUNXYNUSEQ-BUVRLJJBSA-N 0 0 423.469 5.366 40 30 HKEBRN CCOC(=O)c1sc(NC(=O)/C=C/c2ccc(-c3ccccc3)o2)c(C#N)c1C ZINC000021595660 568722516 /nfs/dbraw/zinc/72/25/16/568722516.db2.gz YHYJCVPCXBYIKN-ZRDIBKRKSA-N 0 0 406.463 5.017 40 30 HKEBRN C=CCn1c(SCC(=O)Nc2ccc(C)c(Cl)c2)nnc1-c1cccc(C)c1 ZINC000021961212 569349728 /nfs/dbraw/zinc/34/97/28/569349728.db2.gz CZJHPILUWOWFHZ-UHFFFAOYSA-N 0 0 412.946 5.132 40 30 HKEBRN C=CCn1c(SCC(=O)Nc2ccc3ccccc3c2)nnc1-c1cccc(C)c1 ZINC000021961297 569349768 /nfs/dbraw/zinc/34/97/68/569349768.db2.gz IEKJHJQWBSYNMJ-UHFFFAOYSA-N 0 0 414.534 5.324 40 30 HKEBRN N#Cc1c(Cl)nc(Cl)c(Cl)c1N(C[C@@H]1CCCO1)C[C@H]1CC=CCC1 ZINC000022027802 568764303 /nfs/dbraw/zinc/76/43/03/568764303.db2.gz YCMWNXIKOMYOIV-STQMWFEESA-N 0 0 400.737 5.255 40 30 HKEBRN COc1ccc(CNc2ccc(Cl)cc2[C@@](O)(C#CC2CC2)C(F)(F)F)cc1 ZINC000022054377 524098156 /nfs/dbraw/zinc/09/81/56/524098156.db2.gz BXJWOBQJYQHISM-FQEVSTJZSA-N 0 0 409.835 5.124 40 30 in-vitro HKEBRN C=CCn1nnnc1NCc1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl ZINC000022111077 568475539 /nfs/dbraw/zinc/47/55/39/568475539.db2.gz NJNNPZIRXJDSDP-UHFFFAOYSA-N 0 0 424.719 5.010 40 30 HKEBRN C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)CCCC(C)(C)O)CC[C@H]23)C[C@@H](O)C[C@@H]1O ZINC000022129829 569284836 /nfs/dbraw/zinc/28/48/36/569284836.db2.gz GMRQFYUYWCNGIN-QSWBGIMISA-N 0 0 416.646 5.705 40 30 HKEBRN O=[N+]([O-])c1ccc2c(c1)/C(=N\c1ccc(Cl)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1-2 ZINC000022246914 527379305 /nfs/dbraw/zinc/37/93/05/527379305.db2.gz WDWOKLPKJKYMOH-XUTLUUPISA-N 0 0 424.756 5.214 40 30 HKEBRN C/C(=N\OCC(=O)Nc1c(C)cccc1C(C)C)c1nc2ccccc2n1C(F)F ZINC000022322427 518470373 /nfs/dbraw/zinc/47/03/73/518470373.db2.gz DOSKIYXOGRAOHK-JFLMPSFJSA-N 0 0 414.456 5.243 40 30 HKEBRN Oc1ccc(Cc2ccccc2Cl)cc1/C=N/c1ccc(CN2CCOCC2)cc1 ZINC000022468682 526344272 /nfs/dbraw/zinc/34/42/72/526344272.db2.gz BJCWHNIZGCOORD-WPWMEQJKSA-N 0 0 420.940 5.219 40 30 HKEBRN CSc1nc2n(n1)[C@H](c1cccc(Oc3ccccc3)c1)C1C(=O)C[C@@H](C)CC1=N2 ZINC000022608419 526217615 /nfs/dbraw/zinc/21/76/15/526217615.db2.gz NJKUEUYWKPMZBK-LHSJRXKWSA-N 0 0 418.522 5.060 40 30 HKEBRN CSc1nc2n(n1)[C@@H](c1cccc(Oc3ccccc3)c1)C1C(=O)C[C@@H](C)CC1=N2 ZINC000022608422 526217447 /nfs/dbraw/zinc/21/74/47/526217447.db2.gz NJKUEUYWKPMZBK-QKKBWIMNSA-N 0 0 418.522 5.060 40 30 HKEBRN CSc1nc2n(n1)[C@H](c1cccc(Oc3ccccc3)c1)C1C(=O)C[C@H](C)CC1=N2 ZINC000022608425 526217708 /nfs/dbraw/zinc/21/77/08/526217708.db2.gz NJKUEUYWKPMZBK-SPLOXXLWSA-N 0 0 418.522 5.060 40 30 HKEBRN CSc1nc2n(n1)[C@@H](c1cccc(Oc3ccccc3)c1)C1C(=O)C[C@H](C)CC1=N2 ZINC000022608428 526217225 /nfs/dbraw/zinc/21/72/25/526217225.db2.gz NJKUEUYWKPMZBK-SZNDQCEHSA-N 0 0 418.522 5.060 40 30 HKEBRN CC1(C)CC(=O)C2=C(C1)Nc1ccc3ccccc3c1[C@@H]2C=Cc1ccccc1[N+](=O)[O-] ZINC000024543280 520260276 /nfs/dbraw/zinc/26/02/76/520260276.db2.gz YVVAJUYYKCXBNR-RPAADVPWSA-N 0 0 424.500 6.614 40 30 HKEBRN CC1(C)CC(=O)C2=C(C1)Nc1ccc3ccccc3c1[C@H]2C=Cc1ccccc1[N+](=O)[O-] ZINC000024543284 520261023 /nfs/dbraw/zinc/26/10/23/520261023.db2.gz YVVAJUYYKCXBNR-VSFZPWCASA-N 0 0 424.500 6.614 40 30 HKEBRN O[C@@H](/C(=N/N=C(\c1ccccc1)[C@@H](O)c1ccccc1)c1ccccc1)c1ccccc1 ZINC000025500118 527643806 /nfs/dbraw/zinc/64/38/06/527643806.db2.gz LZSAGKJUELTLJL-WZVDLRMFSA-N 0 0 420.512 5.347 40 30 HKEBRN O[C@H](/C(=N/N=C(\c1ccccc1)[C@@H](O)c1ccccc1)c1ccccc1)c1ccccc1 ZINC000025500123 527682126 /nfs/dbraw/zinc/68/21/26/527682126.db2.gz LZSAGKJUELTLJL-YWJOFGESSA-N 0 0 420.512 5.347 40 30 HKEBRN O[C@@H](/C(=N/N=C(\c1ccccc1)[C@H](O)c1ccccc1)c1ccccc1)c1ccccc1 ZINC000025500127 527644480 /nfs/dbraw/zinc/64/44/80/527644480.db2.gz LZSAGKJUELTLJL-XUFDGXORSA-N 0 0 420.512 5.347 40 30 HKEBRN FC(F)(F)C(F)(F)C(F)(F)c1ccc(-c2cn3c(n2)-c2ccccc2C3)cc1 ZINC000026442286 527661660 /nfs/dbraw/zinc/66/16/60/527661660.db2.gz YNLVCZZMGSVGTD-UHFFFAOYSA-N 0 0 400.297 5.868 40 30 HKEBRN O=[N+]([O-])c1ccc(N=NC(=CCc2ccc(F)cc2)c2cccs2)c([N+](=O)[O-])c1 ZINC000026442382 527358835 /nfs/dbraw/zinc/35/88/35/527358835.db2.gz OZYRDGYEILGBRH-HFYBAYOISA-N 0 0 412.402 5.233 40 30 HKEBRN C=CCn1c(-c2ccc(Cl)cc2)cs/c1=N\c1ccc(Br)cc1 ZINC000026508314 519148686 /nfs/dbraw/zinc/14/86/86/519148686.db2.gz ZUDMKMPOYPTDLW-UZYVYHOESA-N 0 0 405.748 6.051 40 30 HKEBRN C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@]2(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)(C)O)CC[C@H]12 ZINC000026522252 518664894 /nfs/dbraw/zinc/66/48/94/518664894.db2.gz KJKIIUAXZGLUND-AFEICDPWSA-N 0 0 412.658 6.756 40 30 HKEBRN C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@H]23)C[C@@H](O)C[C@@H]1O ZINC000026522798 518657960 /nfs/dbraw/zinc/65/79/60/518657960.db2.gz OFHCOWSQAMBJIW-BLUDRTMOSA-N 0 0 400.647 6.590 40 30 HKEBRN C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC[C@H]23)C[C@@H](O)C[C@@H]1O ZINC000026522802 518657949 /nfs/dbraw/zinc/65/79/49/518657949.db2.gz HKXBNHCUPKIYDM-HAEQLYIWSA-N 0 0 412.658 6.612 40 30 HKEBRN CC(=O)Nc1sc(N=NCc2ccc(Cl)cc2Cl)nc1-c1ccccc1 ZINC000026533070 519754153 /nfs/dbraw/zinc/75/41/53/519754153.db2.gz RPRKKRXTXMCCKB-FBHDLOMBSA-N 0 0 405.310 5.521 40 30 HKEBRN C=CCn1c(-c2ccc(Cl)cc2Cl)csc1=Nc1cccc2ccccc21 ZINC000026570027 519121171 /nfs/dbraw/zinc/12/11/71/519121171.db2.gz JYRIZQSHQFRKKY-UHFFFAOYSA-O 0 0 412.365 7.092 40 30 HKEBRN C=CCn1c(-c2ccc(Cl)cc2Cl)csc1=Nc1ccc(C(C)=O)cc1 ZINC000026570033 519121641 /nfs/dbraw/zinc/12/16/41/519121641.db2.gz YQTDTWWSGNBYCD-UHFFFAOYSA-O 0 0 404.342 6.142 40 30 HKEBRN COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@]5(CO5)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000026570798 568551266 /nfs/dbraw/zinc/55/12/66/568551266.db2.gz FMUVPGOCTWGNEY-IDMURBRTSA-N 0 0 402.619 6.004 40 30 HKEBRN C=CCOc1ccc(Cl)cc1/C=C1\SC(=S)N(Cc2ccccc2)C1=O ZINC000026608396 519035653 /nfs/dbraw/zinc/03/56/53/519035653.db2.gz BYCNGBXCBYYIAO-PDGQHHTCSA-N 0 0 401.940 5.306 40 30 HKEBRN CC(=O)Nc1sc(N=NCc2c(F)cccc2Cl)nc1-c1ccc(C)cc1 ZINC000026770237 519754316 /nfs/dbraw/zinc/75/43/16/519754316.db2.gz FRQRJDQIBNFVLX-YVNNLAQVSA-N 0 0 402.882 5.315 40 30 HKEBRN CC(=O)Nc1sc(N=NCc2cccc3ccccc32)nc1-c1ccc(Cl)cc1 ZINC000026771313 519754049 /nfs/dbraw/zinc/75/40/49/519754049.db2.gz IAKVITXBOIDXCC-CFRMEGHHSA-N 0 0 420.925 6.021 40 30 HKEBRN O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N=C(c1ccccc1)c1ccccc1 ZINC000026779846 527327188 /nfs/dbraw/zinc/32/71/88/527327188.db2.gz CRIHWQWTGONCLQ-UHFFFAOYSA-N 0 0 415.327 5.691 40 30 HKEBRN C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@]2(C)[C@@H]1CC[C@H]2[C@H](C)CCCC(C)(C)O ZINC000026891873 569025709 /nfs/dbraw/zinc/02/57/09/569025709.db2.gz JWUBBDSIWDLEOM-REWYDCQSSA-N 0 0 400.647 6.734 40 30 HKEBRN C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@@]2(C)[C@@H]([C@@H](C)CCCC(C)(C)O)CC[C@H]12 ZINC000026891878 518663508 /nfs/dbraw/zinc/66/35/08/518663508.db2.gz JWUBBDSIWDLEOM-OAIUGLKDSA-N 0 0 400.647 6.734 40 30 HKEBRN C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@@]2(C)[C@@H]([C@H](C)CCCC(C)(C)O)CC[C@H]12 ZINC000026891883 569025679 /nfs/dbraw/zinc/02/56/79/569025679.db2.gz JWUBBDSIWDLEOM-VWCLOQSNSA-N 0 0 400.647 6.734 40 30 HKEBRN COc1ccc(/C=N/c2ccc(Br)cc2C(=O)c2ccc(C)cc2)cc1 ZINC000026893579 523452164 /nfs/dbraw/zinc/45/21/64/523452164.db2.gz KQNAFBONYPLYJQ-ZVHZXABRSA-N 0 0 408.295 5.748 40 30 HKEBRN O=C(c1ccccc1)c1cc(Br)ccc1/N=C/c1ccc([N+](=O)[O-])cc1 ZINC000026893582 526796693 /nfs/dbraw/zinc/79/66/93/526796693.db2.gz FUCGQBQQUAKGAZ-LPYMAVHISA-N 0 0 409.239 5.339 40 30 HKEBRN N#C[C@H](CNc1ccccc1)c1cc(Br)ccc1OCc1ccccc1 ZINC000026895925 526508955 /nfs/dbraw/zinc/50/89/55/526508955.db2.gz IFJQZHNOIGXVJC-GOSISDBHSA-N 0 0 407.311 5.747 40 30 HKEBRN N#C[C@@H](CNc1ccccc1)c1cc(Br)ccc1OCc1ccccc1 ZINC000026895927 526495663 /nfs/dbraw/zinc/49/56/63/526495663.db2.gz IFJQZHNOIGXVJC-SFHVURJKSA-N 0 0 407.311 5.747 40 30 HKEBRN Cc1ccccc1NC[C@@H](C#N)c1cc(Br)ccc1OCc1ccccc1 ZINC000026895930 525268414 /nfs/dbraw/zinc/26/84/14/525268414.db2.gz UQYBHSJGOQIQEX-LJQANCHMSA-N 0 0 421.338 6.056 40 30 HKEBRN Cc1ccccc1NC[C@H](C#N)c1cc(Br)ccc1OCc1ccccc1 ZINC000026895933 525270541 /nfs/dbraw/zinc/27/05/41/525270541.db2.gz UQYBHSJGOQIQEX-IBGZPJMESA-N 0 0 421.338 6.056 40 30 HKEBRN Cc1ccc(NC[C@@H](C#N)c2cc(Br)ccc2OCc2ccccc2)cc1 ZINC000026895941 525281543 /nfs/dbraw/zinc/28/15/43/525281543.db2.gz BYYNWSZUIODBGI-LJQANCHMSA-N 0 0 421.338 6.056 40 30 HKEBRN Cc1ccc(NC[C@H](C#N)c2cc(Br)ccc2OCc2ccccc2)cc1 ZINC000026895944 525281941 /nfs/dbraw/zinc/28/19/41/525281941.db2.gz BYYNWSZUIODBGI-IBGZPJMESA-N 0 0 421.338 6.056 40 30 HKEBRN CCSC1=C(C(=O)c2ccc(Cl)cc2)C(=O)C[C@@H](c2ccc(Cl)cc2)S1 ZINC000026896904 521695379 /nfs/dbraw/zinc/69/53/79/521695379.db2.gz DHMIWHJPBDPWMZ-KRWDZBQOSA-N 0 0 423.386 6.588 40 30 HKEBRN CCSC1=C(C(=O)c2ccc(Cl)cc2)C(=O)C[C@H](c2ccc(Cl)cc2)S1 ZINC000026896905 521695428 /nfs/dbraw/zinc/69/54/28/521695428.db2.gz DHMIWHJPBDPWMZ-QGZVFWFLSA-N 0 0 423.386 6.588 40 30 HKEBRN Cc1cccnc1N1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(C(C)C)cc1 ZINC000027061642 525534250 /nfs/dbraw/zinc/53/42/50/525534250.db2.gz KSJQSHHFSVUHSY-QFIPXVFZSA-N 0 0 412.489 5.296 40 30 HKEBRN Cc1cccnc1N1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(C(C)C)cc1 ZINC000027061646 525533150 /nfs/dbraw/zinc/53/31/50/525533150.db2.gz KSJQSHHFSVUHSY-JOCHJYFZSA-N 0 0 412.489 5.296 40 30 HKEBRN Cc1ccc(/N=C2\S/C(=C\c3c[nH]c4ccccc34)C(=O)N2c2ccc(C)cc2)cc1 ZINC000027229943 568566234 /nfs/dbraw/zinc/56/62/34/568566234.db2.gz CMPHKRASTYZUJJ-AHHHDHMGSA-N 0 0 423.541 6.593 40 30 HKEBRN C=CCn1c(SCCOc2ccccc2Cl)nnc1-c1ccccc1OCC ZINC000027298742 519234947 /nfs/dbraw/zinc/23/49/47/519234947.db2.gz BNACOEGYECWQQQ-UHFFFAOYSA-N 0 0 415.946 5.354 40 30 HKEBRN C=CCNC(=O)c1ccccc1NC(=O)c1ccc(CSc2ccccc2)cc1 ZINC000027391801 568568576 /nfs/dbraw/zinc/56/85/76/568568576.db2.gz FFNJKBUGSWUBIW-UHFFFAOYSA-N 0 0 402.519 5.147 40 30 HKEBRN CCOc1cc(C=C2NC3=C(CCCCC3)C2=O)ccc1OC(=O)c1ccccc1 ZINC000027525416 520625759 /nfs/dbraw/zinc/62/57/59/520625759.db2.gz DWGRKHYGLDIEJX-QTKYHAHDSA-N 0 0 403.478 5.249 40 30 HKEBRN CCOc1cc(C=C2NC3=C(CCCCC3)C2=O)ccc1OC(=O)c1ccccc1 ZINC000027525418 520625624 /nfs/dbraw/zinc/62/56/24/520625624.db2.gz DWGRKHYGLDIEJX-DDNKWHRWSA-N 0 0 403.478 5.249 40 30 HKEBRN CC(N=Nc1nc(-c2ccccc2)c(-c2ccccc2)s1)c1ccc(Cl)cc1 ZINC000027529296 568569112 /nfs/dbraw/zinc/56/91/12/568569112.db2.gz BYRGZNMTUOQHKQ-WGOQTCKBSA-N 0 0 403.938 6.967 40 30 HKEBRN C=C1/C(=C/C=C2\CCC[C@]3(C)[C@@H]2CC[C@H]3[C@@H](C)CCCC(C)C)C[C@@H](O)C[C@@H]1O ZINC000027555822 559069088 /nfs/dbraw/zinc/06/90/88/559069088.db2.gz OFHCOWSQAMBJIW-GYODFPPFSA-N 0 0 400.647 6.590 40 30 HKEBRN O=C1/C(=C/c2ccc3c(c2)OCO3)S/C(=N\c2ccccc2)N1c1ccccc1 ZINC000027644973 568573605 /nfs/dbraw/zinc/57/36/05/568573605.db2.gz OYLOYUKNSMPYKK-PZUCIDFCSA-N 0 0 400.459 5.224 40 30 HKEBRN COc1ccccc1COc1ccc2c(c1)O/C(=C\c1cn(C)c3ccccc13)C2=O ZINC000028182471 524495219 /nfs/dbraw/zinc/49/52/19/524495219.db2.gz CKRWUOXVSISVIZ-MXAYSNPKSA-N 0 0 411.457 5.382 40 30 HKEBRN Cn1cc(/C=C2\Oc3cc(OCc4ccc(Cl)cc4)ccc3C2=O)c2ccccc21 ZINC000028182472 527144810 /nfs/dbraw/zinc/14/48/10/527144810.db2.gz OJANZNVABBGMPQ-MSXFZWOLSA-N 0 0 415.876 6.027 40 30 HKEBRN Cn1cc(/C=C2\Oc3cc(OCc4ccccc4Cl)ccc3C2=O)c2ccccc21 ZINC000028182484 527144800 /nfs/dbraw/zinc/14/48/00/527144800.db2.gz IUQCXUBSPRIGKS-MSXFZWOLSA-N 0 0 415.876 6.027 40 30 HKEBRN Cn1cc(/C=C2\Oc3cc(OC/C=C/c4ccccc4)ccc3C2=O)c2ccccc21 ZINC000028182493 527144846 /nfs/dbraw/zinc/14/48/46/527144846.db2.gz ZCYMFXUTUIHUBS-IICKDNCXSA-N 0 0 407.469 5.887 40 30 HKEBRN COc1ccc2c(c1)c(/C=C1\Oc3cc(OCc4ccccc4)ccc3C1=O)cn2C ZINC000028182513 525599663 /nfs/dbraw/zinc/59/96/63/525599663.db2.gz OGBMKVOAVLYCOE-ROTLSHHCSA-N 0 0 411.457 5.382 40 30 HKEBRN CCn1cc(/C=C2\Oc3c(ccc(OCc4ccccc4)c3C)C2=O)c2ccccc21 ZINC000028182529 523308029 /nfs/dbraw/zinc/30/80/29/523308029.db2.gz VIYAGVVIBJNMSD-MYYYXRDXSA-N 0 0 409.485 6.165 40 30 HKEBRN CCn1cc(/C=C2\Oc3c(ccc(OCc4ccccc4C)c3C)C2=O)c2ccccc21 ZINC000028182532 523308303 /nfs/dbraw/zinc/30/83/03/523308303.db2.gz OEINLENMCRFSAI-YSMPRRRNSA-N 0 0 423.512 6.473 40 30 HKEBRN CCn1cc(/C=C2\Oc3cc(OCc4ccc(C)cc4)ccc3C2=O)c2ccccc21 ZINC000028182548 523310471 /nfs/dbraw/zinc/31/04/71/523310471.db2.gz GPMOMLNFTXAPMV-WGARJPEWSA-N 0 0 409.485 6.165 40 30 HKEBRN Cc1c2c(ccc1OC/C=C/c1ccccc1)C(=O)/C(=C/c1cn(C)c3ccccc13)O2 ZINC000028182572 525933242 /nfs/dbraw/zinc/93/32/42/525933242.db2.gz SFPZMSYMJZLNDB-SUCYAFSJSA-N 0 0 421.496 6.195 40 30 HKEBRN CCn1cc(/C=C2\Oc3cc(OCc4ccccc4F)ccc3C2=O)c2ccccc21 ZINC000028182584 523309813 /nfs/dbraw/zinc/30/98/13/523309813.db2.gz YDQNEXPTDWICBV-MXAYSNPKSA-N 0 0 413.448 5.996 40 30 HKEBRN CCn1cc(/C=C2\Oc3cc(OC/C=C/c4ccccc4)ccc3C2=O)c2ccccc21 ZINC000028182622 523307726 /nfs/dbraw/zinc/30/77/26/523307726.db2.gz MUFLBOONQJVDOY-UOCLXJOFSA-N 0 0 421.496 6.370 40 30 HKEBRN Cc1cc(/C=N/NC(=S)Nc2ccccc2)c(C)n1-c1cccc(Cl)c1Cl ZINC000028217530 568604268 /nfs/dbraw/zinc/60/42/68/568604268.db2.gz PODBCWCGOJFVFC-FSJBWODESA-N 0 0 417.365 5.721 40 30 HKEBRN Cc1cc(/C=N/NC(=S)Nc2ccccc2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000028217532 569350313 /nfs/dbraw/zinc/35/03/13/569350313.db2.gz YTZHDRMCWAFPIL-FSJBWODESA-N 0 0 417.365 5.721 40 30 HKEBRN Cc1cc(/C=N/NC(=S)Nc2ccccc2)c(C)n1-c1cc(Cl)ccc1Cl ZINC000028217534 569350300 /nfs/dbraw/zinc/35/03/00/569350300.db2.gz IGSCLRZRRZTQAR-FSJBWODESA-N 0 0 417.365 5.721 40 30 HKEBRN Cc1cc(/C=N/NC(=S)Nc2ccccc2)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000028217537 568604323 /nfs/dbraw/zinc/60/43/23/568604323.db2.gz DQYKKNYODMVUBL-FSJBWODESA-N 0 0 417.365 5.721 40 30 HKEBRN Cc1cc(/C=N/NC(=S)Nc2ccccc2)c(C)n1-c1cc(Cl)cc(Cl)c1 ZINC000028217538 569350278 /nfs/dbraw/zinc/35/02/78/569350278.db2.gz DXFGVCMJLXXOPI-FSJBWODESA-N 0 0 417.365 5.721 40 30 HKEBRN CCN(CC)c1ccc(C=C2SC(=O)N=C2Nc2cc(C(C)C)c(O)cc2C)cc1 ZINC000028294959 520880597 /nfs/dbraw/zinc/88/05/97/520880597.db2.gz WIFAODYNSCSBDI-XKZIYDEJSA-N 0 0 423.582 6.198 40 30 HKEBRN Clc1ccccc1CN1CCN(/N=C\c2c3ccccc3cc3ccccc32)CC1 ZINC000028349962 526987489 /nfs/dbraw/zinc/98/74/89/526987489.db2.gz IFXSCDOYHRYSCK-VEILYXNESA-N 0 0 413.952 5.798 40 30 HKEBRN C=CCn1c(SCc2ccc(C(C)(C)C)cc2)nnc(Nc2ccc(C)cc2)c1=O ZINC000028527609 519239040 /nfs/dbraw/zinc/23/90/40/519239040.db2.gz BGRAPTGXUCSMPS-UHFFFAOYSA-N 0 0 420.582 5.466 40 30 HKEBRN Cc1nc(-c2ccccc2)sc1C(=O)Nc1sc(-c2ccccc2)cc1C#N ZINC000028540219 568789099 /nfs/dbraw/zinc/78/90/99/568789099.db2.gz FCLQVVAIERZNQN-UHFFFAOYSA-N 0 0 401.516 5.971 40 30 HKEBRN C=CCc1ccccc1OCC(=O)Nc1scc(-c2cccs2)c1C(=O)OC ZINC000028540252 519142277 /nfs/dbraw/zinc/14/22/77/519142277.db2.gz IBRIJBOSSLYBOM-UHFFFAOYSA-N 0 0 413.520 5.009 40 30 HKEBRN C/C(=N/N=c1/scc(-c2ccccc2)n1Cc1ccco1)c1ccc2ccccc2c1 ZINC000028627934 518451059 /nfs/dbraw/zinc/45/10/59/518451059.db2.gz NLQUWGUKYQNUHM-WYKZTKDVSA-N 0 0 423.541 6.336 40 30 HKEBRN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C/C(=N\O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000028825835 568639269 /nfs/dbraw/zinc/63/92/69/568639269.db2.gz OHVJEOXDVIFIPO-KLVPPCHUSA-N 0 0 413.646 7.037 40 30 HKEBRN C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@H]3[C@H](C)CCCC(C)C)C[C@@H](O)C[C@@H]1O ZINC000029226150 518657589 /nfs/dbraw/zinc/65/75/89/518657589.db2.gz OFHCOWSQAMBJIW-HUEPGBSESA-N 0 0 400.647 6.590 40 30 HKEBRN C=C1/C(=C/C=C2\CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@@H](C)CCCC(C)(C)O)C[C@@H](O)C[C@@H]1O ZINC000029345962 518657881 /nfs/dbraw/zinc/65/78/81/518657881.db2.gz GMRQFYUYWCNGIN-GVKVLCCPSA-N 0 0 416.646 5.705 40 30 HKEBRN C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O)C[C@H](O)C[C@@H]1O ZINC000029552079 569027168 /nfs/dbraw/zinc/02/71/68/569027168.db2.gz GMRQFYUYWCNGIN-GNVXBELXSA-N 0 0 416.646 5.705 40 30 in-vitro HKEBRN c1ccc(Nc2nc(N=NCc3ccc4ccccc4c3)nc(N3CCCCC3)n2)cc1 ZINC000030293621 518380574 /nfs/dbraw/zinc/38/05/74/518380574.db2.gz QSXYOIPBHGLPBX-ITYLOYPMSA-N 0 0 423.524 5.205 40 30 HKEBRN CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C(SC(C)=O)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000030729038 521233025 /nfs/dbraw/zinc/23/30/25/521233025.db2.gz AJPSTLTYGUDWEO-FHSUWLEUSA-N 0 0 418.599 5.448 40 30 in-vitro HKEBRN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccco1 ZINC000030823018 519927781 /nfs/dbraw/zinc/92/77/81/519927781.db2.gz SKEVIKLUMPXRJB-DEOSSOPVSA-N 0 0 406.526 6.003 40 30 HKEBRN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccco1 ZINC000030823019 519928607 /nfs/dbraw/zinc/92/86/07/519928607.db2.gz SKEVIKLUMPXRJB-XMMPIXPASA-N 0 0 406.526 6.003 40 30 HKEBRN O=C(c1ccc(F)cc1)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccco1 ZINC000030823026 526691153 /nfs/dbraw/zinc/69/11/53/526691153.db2.gz HHNCTLFKIGPZGE-QHCPKHFHSA-N 0 0 402.425 5.239 40 30 HKEBRN O=C(c1ccc(F)cc1)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccco1 ZINC000030823027 526691413 /nfs/dbraw/zinc/69/14/13/526691413.db2.gz HHNCTLFKIGPZGE-HSZRJFAPSA-N 0 0 402.425 5.239 40 30 HKEBRN O=C(c1cccs1)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1cccs1 ZINC000030823032 526838655 /nfs/dbraw/zinc/83/86/55/526838655.db2.gz OGLRLBHVWNJZEK-OAQYLSRUSA-N 0 0 406.532 5.630 40 30 HKEBRN O=C(c1cccs1)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1cccs1 ZINC000030823033 526838940 /nfs/dbraw/zinc/83/89/40/526838940.db2.gz OGLRLBHVWNJZEK-NRFANRHFSA-N 0 0 406.532 5.630 40 30 HKEBRN C=CCOc1ccc(NC(=O)C2CCN(Cc3ccc(Cl)cc3Cl)CC2)cc1 ZINC000030940558 519038542 /nfs/dbraw/zinc/03/85/42/519038542.db2.gz KNRBSWSBWOCCNG-UHFFFAOYSA-N 0 0 419.352 5.409 40 30 HKEBRN C=CCOc1ccc(NC(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000030940561 519037273 /nfs/dbraw/zinc/03/72/73/519037273.db2.gz PBQKJQAWMATIDU-UHFFFAOYSA-N 0 0 419.352 5.409 40 30 HKEBRN C=CCOc1ccc(NC(=O)C2CCN(Cc3c(Cl)cccc3Cl)CC2)cc1 ZINC000030940563 519038342 /nfs/dbraw/zinc/03/83/42/519038342.db2.gz RNEYBWSZBRMJJO-UHFFFAOYSA-N 0 0 419.352 5.409 40 30 HKEBRN C=CCOc1cccc(NC(=O)C2CCN(Cc3ccc(Cl)cc3Cl)CC2)c1 ZINC000030940728 519053411 /nfs/dbraw/zinc/05/34/11/519053411.db2.gz GBHCUDACANGHNF-UHFFFAOYSA-N 0 0 419.352 5.409 40 30 HKEBRN C=CCOc1cccc(NC(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000030940731 519052864 /nfs/dbraw/zinc/05/28/64/519052864.db2.gz UBOBRQCFQIRTCE-UHFFFAOYSA-N 0 0 419.352 5.409 40 30 HKEBRN C=CCOc1cccc(NC(=O)C2CCN(Cc3c(Cl)cccc3Cl)CC2)c1 ZINC000030940734 519053419 /nfs/dbraw/zinc/05/34/19/519053419.db2.gz KZJLNKZLKNVXNY-UHFFFAOYSA-N 0 0 419.352 5.409 40 30 HKEBRN C=C1CC[C@@H]2[C@](C)(CC[C@H](O)[C@@]2(C)CCC=C(C)C)[C@@H]1Cc1c[nH]c2ccccc12 ZINC000031163978 291282626 /nfs/dbraw/zinc/28/26/26/291282626.db2.gz SYFJYRUTNACAQV-IPTPSVHJSA-N 0 0 405.626 7.207 40 30 biogenic,in-vitro HKEBRN Cc1c(F)c(F)c(COC(=O)[C@H]2[C@@H](/C=C(/Cl)C(F)(F)F)C2(C)C)c(F)c1F ZINC000031274290 525791394 /nfs/dbraw/zinc/79/13/94/525791394.db2.gz ZFHGXWPMULPQSE-CXQRGBQISA-N 0 0 418.736 5.552 40 30 HKEBRN N#CCCN(CCC#N)c1ccc(/N=N/c2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1 ZINC000031351860 526455894 /nfs/dbraw/zinc/45/58/94/526455894.db2.gz MUERWWKQVXXPML-WCWDXBQESA-N 0 0 417.256 5.951 40 30 HKEBRN CC1=Nc2cc3ccccc3cc2N(C)/C1=C/C1=C(Cl)C(=O)c2ccccc2C1=O ZINC000031759903 520899973 /nfs/dbraw/zinc/89/99/73/520899973.db2.gz LJVKRIPRGDEUOT-FYJGNVAPSA-N 0 0 412.876 5.838 40 30 HKEBRN CCOC(=O)C1=C(/C=C\c2cccc(Cl)c2)O/C(=C\c2cccc(Cl)c2)C1=O ZINC000031771732 520473817 /nfs/dbraw/zinc/47/38/17/520473817.db2.gz FZNYZWGMQWRQNO-ZGKGUONDSA-N 0 0 415.272 5.464 40 30 HKEBRN O=c1[nH]ncc(NN=Cc2ccc(OCc3c(Cl)cccc3Cl)cc2)c1Cl ZINC000031783723 526381794 /nfs/dbraw/zinc/38/17/94/526381794.db2.gz LWKZLOHZMFBJPX-UYOCIXKTSA-N 0 0 423.687 5.167 40 30 HKEBRN C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](OCCC#N)CC[C@@]43C)[C@@H]1CC/C2=N\OCCC#N ZINC000031829774 558752699 /nfs/dbraw/zinc/75/26/99/558752699.db2.gz AGLFPKUPDNYHTN-WNJCXESFSA-N 0 0 409.574 5.534 40 30 HKEBRN COc1ccc(/C=C2\CC[C@@H](C)/C(=C/c3ccc(OC)c(OC)c3)C2=O)cc1OC ZINC000031894627 523416205 /nfs/dbraw/zinc/41/62/05/523416205.db2.gz FNEHNMVDEJMKOR-DBGZARRSSA-N 0 0 408.494 5.187 40 30 HKEBRN CCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCN(c2cc(C)ccc2C)CC1 ZINC000032099565 523708378 /nfs/dbraw/zinc/70/83/78/523708378.db2.gz XYGWCBSUIQXYIT-UHFFFAOYSA-N 0 0 423.564 5.173 40 30 HKEBRN Cc1nn(-c2ccccc2)c(C)c1/N=C/c1ccc(OC(=O)c2cccs2)cc1 ZINC000032099603 527536711 /nfs/dbraw/zinc/53/67/11/527536711.db2.gz OPSSPLMGYIQPGR-BUVRLJJBSA-N 0 0 401.491 5.520 40 30 HKEBRN CCCOc1cccc(C2C3=C(CC(C)(C)CC3=O)N(C)C3=C2C(=O)CC(C)(C)C3)c1 ZINC000032099730 520446665 /nfs/dbraw/zinc/44/66/65/520446665.db2.gz RVDUJGFGFLURPW-UHFFFAOYSA-N 0 0 421.581 5.791 40 30 HKEBRN O=C1CCCC2=C1C(c1ccccc1OCc1ccc(F)cc1)C1=C(CCCC1=O)N2 ZINC000032099734 526967089 /nfs/dbraw/zinc/96/70/89/526967089.db2.gz DLPDMTMMOUPPAM-UHFFFAOYSA-N 0 0 417.480 5.106 40 30 HKEBRN O=C(C=CNc1ccc(N=Nc2ccccc2)cc1)c1ccc(Br)cc1 ZINC000032100161 527597374 /nfs/dbraw/zinc/59/73/74/527597374.db2.gz NHMDIPUTCUGJRG-LXNJSCKXSA-N 0 0 406.283 6.673 40 30 HKEBRN O=C(C=CNc1ccc(Br)c(Cl)c1)c1ccc(Br)cc1 ZINC000032100174 527596799 /nfs/dbraw/zinc/59/67/99/527596799.db2.gz QHVBMHGRFQRGAX-BQYQJAHWSA-N 0 0 415.512 5.674 40 30 HKEBRN O=C(C=CNc1ccc(Cl)cc1Br)c1ccc(Br)cc1 ZINC000032100183 527597059 /nfs/dbraw/zinc/59/70/59/527597059.db2.gz IINCHGNAKDBGJF-BQYQJAHWSA-N 0 0 415.512 5.674 40 30 HKEBRN O=C(C=CNc1ccc(N=Nc2ccccc2)cc1)c1ccc(-c2ccccc2)cc1 ZINC000032100204 527596895 /nfs/dbraw/zinc/59/68/95/527596895.db2.gz QCDMEYVYSGBGLN-MTKUKVTPSA-N 0 0 403.485 7.578 40 30 HKEBRN O=C(C=CNc1ccc(Br)cc1Cl)c1ccc(-c2ccccc2)cc1 ZINC000032100238 527597068 /nfs/dbraw/zinc/59/70/68/527597068.db2.gz OJQVNTUUSLERGT-OUKQBFOZSA-N 0 0 412.714 6.578 40 30 HKEBRN O=C(C=CNc1ccc(Cl)c(Br)c1)c1ccc(Br)cc1 ZINC000032100241 527596571 /nfs/dbraw/zinc/59/65/71/527596571.db2.gz NFPBUCUGLXBOCB-BQYQJAHWSA-N 0 0 415.512 5.674 40 30 HKEBRN O=C(C=CNc1ccc(Cl)cc1Br)c1ccc(-c2ccccc2)cc1 ZINC000032100252 527596673 /nfs/dbraw/zinc/59/66/73/527596673.db2.gz HFTZPGFYXMXBAH-OUKQBFOZSA-N 0 0 412.714 6.578 40 30 HKEBRN O=C(C=CNc1ccc(Cl)c(Br)c1)c1ccc(-c2ccccc2)cc1 ZINC000032100255 527596536 /nfs/dbraw/zinc/59/65/36/527596536.db2.gz XCQYVJYPDNCOOU-OUKQBFOZSA-N 0 0 412.714 6.578 40 30 HKEBRN O=C(C=CNc1ccc(Br)c(Cl)c1)c1ccc(-c2ccccc2)cc1 ZINC000032100261 527596512 /nfs/dbraw/zinc/59/65/12/527596512.db2.gz SHOVQOGIVCQNLD-OUKQBFOZSA-N 0 0 412.714 6.578 40 30 HKEBRN COc1ccc(C(=O)C=C(C)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 ZINC000032100327 523536307 /nfs/dbraw/zinc/53/63/07/523536307.db2.gz UQDFLJAVPRSVSH-YRNVUSSQSA-N 0 0 403.322 5.931 40 30 HKEBRN CC(=CC(=O)c1ccc(Br)cc1)Nc1ccc(Oc2ccccc2)cc1 ZINC000032100470 518432137 /nfs/dbraw/zinc/43/21/37/518432137.db2.gz LQYXVHKVDTZQRG-FOCLMDBBSA-N 0 0 408.295 6.440 40 30 HKEBRN CC(=CC(=O)c1ccc(Cl)cc1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000032100539 518431920 /nfs/dbraw/zinc/43/19/20/518431920.db2.gz QVSYGXAZORKJHS-UXBLZVDNSA-N 0 0 407.741 6.576 40 30 HKEBRN Cc1cc(C=NN=c2[nH]c3ccccc3s2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000032109295 526098861 /nfs/dbraw/zinc/09/88/61/526098861.db2.gz UAIJHEDRASBVKT-ROTLSHHCSA-N 0 0 414.456 6.169 40 30 HKEBRN C=CCOc1ccc(/C=C2/S/C(=N/c3ccc(C)cc3)N(C)C2=O)cc1OCC ZINC000032114718 558753782 /nfs/dbraw/zinc/75/37/82/558753782.db2.gz ATXHHTRBULGRFG-NEHLPSIOSA-N 0 0 408.523 5.192 40 30 HKEBRN Oc1ccc(Cl)cc1/C=N/c1ccc2oc(-c3cc(F)c(F)cc3Cl)nc2c1 ZINC000032114885 558753776 /nfs/dbraw/zinc/75/37/76/558753776.db2.gz DNCFWMYGTOUUJJ-YCPBAFNGSA-N 0 0 419.214 6.536 40 30 HKEBRN CCCCC(=O)Nc1ccc(/N=C/c2cc(Cl)cc(OCC)c2O)cc1OC ZINC000032114899 558753708 /nfs/dbraw/zinc/75/37/08/558753708.db2.gz DIAZNZBDKJWACQ-YDZHTSKRSA-N 0 0 404.894 5.332 40 30 HKEBRN CCCCC(=O)Nc1ccc(/N=C/c2cc(C)cc(Br)c2O)cc1OC ZINC000032115093 519914309 /nfs/dbraw/zinc/91/43/09/519914309.db2.gz FWRAFZSWBVWVTI-WSDLNYQXSA-N 0 0 419.319 5.351 40 30 HKEBRN CCCCC(=O)Nc1ccc(/N=C/c2cc(Br)ccc2O)cc1OC ZINC000032115153 519914373 /nfs/dbraw/zinc/91/43/73/519914373.db2.gz UCUBKKVXKXOMCT-CIAFOILYSA-N 0 0 405.292 5.043 40 30 HKEBRN CCCCC(=O)Nc1ccc(/N=C/c2cc(Cc3ccccc3)ccc2O)cc1OC ZINC000032115189 519914179 /nfs/dbraw/zinc/91/41/79/519914179.db2.gz JXWZQGQCVUNCER-OVVQPSECSA-N 0 0 416.521 5.871 40 30 HKEBRN Oc1ccc(Cc2ccccc2Cl)cc1/C=N/c1ccccc1N1CCOCC1 ZINC000032115208 526344143 /nfs/dbraw/zinc/34/41/43/526344143.db2.gz JXSPTEOVMCZUEE-YZSQISJMSA-N 0 0 406.913 5.224 40 30 HKEBRN CCCCC(=O)Nc1ccc(/N=C/c2cc(Br)cc(C)c2O)cc1OC ZINC000032115280 519914187 /nfs/dbraw/zinc/91/41/87/519914187.db2.gz XCHZLNVNRMDWOB-WSDLNYQXSA-N 0 0 419.319 5.351 40 30 HKEBRN COc1cccc(/C=N/c2ccc3oc(-c4cc(F)c(F)cc4Cl)nc3c2)c1O ZINC000032115361 525776391 /nfs/dbraw/zinc/77/63/91/525776391.db2.gz ZXXUAFRGKTZGRH-KIBLKLHPSA-N 0 0 414.795 5.891 40 30 HKEBRN Cc1cccc(C(=O)CSc2nc(-c3cccs3)cc(C(F)(F)F)c2C#N)c1 ZINC000032117874 524159732 /nfs/dbraw/zinc/15/97/32/524159732.db2.gz HKNCRDUTRFWSRQ-UHFFFAOYSA-N 0 0 418.465 5.984 40 30 HKEBRN CCCCc1ccc2nc(NC(=S)NC(=O)C(Cl)(Cl)Cl)sc2c1 ZINC000032118804 521288166 /nfs/dbraw/zinc/28/81/66/521288166.db2.gz TZOORLKVVAPWKJ-UHFFFAOYSA-N 0 0 410.779 5.662 40 30 HKEBRN Cc1ccc(Sc2ccc(C=NNc3ccc([N+](=O)[O-])cc3)cc2[N+](=O)[O-])cc1 ZINC000032124614 525670727 /nfs/dbraw/zinc/67/07/27/525670727.db2.gz QLOWHVOLXJQKMQ-BKUYFWCQSA-N 0 0 408.439 5.409 40 30 HKEBRN Cc1ccc(Sc2ccc(C=NN=c3[nH]c4ccccc4s3)cc2[N+](=O)[O-])cc1 ZINC000032124662 525669956 /nfs/dbraw/zinc/66/99/56/525669956.db2.gz HETNEENGQISBJH-XKZIYDEJSA-N 0 0 420.519 6.110 40 30 HKEBRN Cc1ccc(Sc2ccc(/C=N\NC(=S)Nc3ccccc3)cc2[N+](=O)[O-])cc1 ZINC000032124727 525669723 /nfs/dbraw/zinc/66/97/23/525669723.db2.gz OVNCJCBAFHOMQM-HMAPJEAMSA-N 0 0 422.535 5.375 40 30 HKEBRN O=C(C=CNc1ccc(Br)cc1Cl)c1ccc(Br)cc1 ZINC000032194165 527596367 /nfs/dbraw/zinc/59/63/67/527596367.db2.gz CLBWBEMFDLMVFD-BQYQJAHWSA-N 0 0 415.512 5.674 40 30 HKEBRN CC(=CC(=O)c1ccc(Br)cc1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000032194238 518431463 /nfs/dbraw/zinc/43/14/63/518431463.db2.gz BSKGKIBDPRRTJY-PEHRLVKHSA-N 0 0 420.310 7.063 40 30 HKEBRN O=C1N=C(Nc2ccc(F)cc2)C(=CC(Cl)=Cc2ccc([N+](=O)[O-])cc2)S1 ZINC000032597755 527046687 /nfs/dbraw/zinc/04/66/87/527046687.db2.gz HBCHMMFHWRRIAX-MNXDUIDKSA-N 0 0 403.822 5.384 40 30 HKEBRN C=CCn1c(SCc2ccc(OC)cc2)nnc1-c1ccc(Cl)c(Cl)c1 ZINC000032604300 519241902 /nfs/dbraw/zinc/24/19/02/519241902.db2.gz NDMIGEIAGUESTE-UHFFFAOYSA-N 0 0 406.338 5.739 40 30 HKEBRN C=CCn1c(Cc2ccc(OC)cc2)nnc1SCc1ccc(Cl)cc1Cl ZINC000032604375 519191502 /nfs/dbraw/zinc/19/15/02/519191502.db2.gz HLBGXCUTQSLIKB-UHFFFAOYSA-N 0 0 420.365 5.663 40 30 HKEBRN C=CCn1c(COc2cccc(Cl)c2)nnc1SCc1ccc(Cl)cc1 ZINC000032604400 519188406 /nfs/dbraw/zinc/18/84/06/519188406.db2.gz YBXZRVGZMYQLPL-UHFFFAOYSA-N 0 0 406.338 5.642 40 30 HKEBRN COc1cc(CN=Nc2nc3ccccc3nc2Cl)ccc1OCc1ccccc1 ZINC000032647114 521996551 /nfs/dbraw/zinc/99/65/51/521996551.db2.gz XSWWYEMMALLEAM-AFUMVMLFSA-N 0 0 418.884 5.317 40 30 HKEBRN C=CCn1c(COc2ccc(Br)cc2)nnc1SCc1ccccc1 ZINC000032647647 519183836 /nfs/dbraw/zinc/18/38/36/519183836.db2.gz OTYVLGRPJAJGHX-UHFFFAOYSA-N 0 0 416.344 5.098 40 30 HKEBRN COc1cc(CN=Nc2nccs2)ccc1OCc1ccc(Cl)cc1Cl ZINC000032653940 571308226 /nfs/dbraw/zinc/30/82/26/571308226.db2.gz MRDJKJQOAFGZLQ-YVNNLAQVSA-N 0 0 408.310 5.484 40 30 HKEBRN CCOc1cc(C=NNc2ccccc2Cl)ccc1OCC(=O)Nc1ccccc1 ZINC000032654846 520647240 /nfs/dbraw/zinc/64/72/40/520647240.db2.gz QVSNADMGJLUAOF-MYYYXRDXSA-N 0 0 423.900 5.202 40 30 HKEBRN CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)CO ZINC000032840942 519994031 /nfs/dbraw/zinc/99/40/31/519994031.db2.gz OKMWKBLSFKFYGZ-DEOSSOPVSA-N 0 0 414.671 6.705 40 30 endogenous,in-man HKEBRN CCCCCCCC/C=C\CCCCCCCCCCCC(=O)OC[C@@H](O)CO ZINC000032840943 519971321 /nfs/dbraw/zinc/97/13/21/519971321.db2.gz ZXNAIPHYBVMMPY-DHSLYTQISA-N 0 0 412.655 6.481 40 30 endogenous,in-man HKEBRN CCCCCCCC/C=C\CCCCCCCCCCCC(=O)OC[C@H](O)CO ZINC000032840945 519971640 /nfs/dbraw/zinc/97/16/40/519971640.db2.gz ZXNAIPHYBVMMPY-OPSAWKISSA-N 0 0 412.655 6.481 40 30 HKEBRN Cc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)S2)c(C)c1 ZINC000033301477 525968666 /nfs/dbraw/zinc/96/86/66/525968666.db2.gz OEAHYYPGCDKKHU-NDENLUEZSA-N 0 0 419.462 5.363 40 30 HKEBRN Cc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)S2)c(C)c1 ZINC000033301487 525968447 /nfs/dbraw/zinc/96/84/47/525968447.db2.gz HDTKCDXDKGMMLN-NDENLUEZSA-N 0 0 419.462 5.363 40 30 HKEBRN Cc1ccc(/N=C2\NC(=O)/C(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)S2)c(C)c1 ZINC000033301494 525970977 /nfs/dbraw/zinc/97/09/77/525970977.db2.gz BZSGEMHKYMWJAK-NDENLUEZSA-N 0 0 419.462 5.363 40 30 HKEBRN Cc1cc(C)c(C2(C)CC(/C(=N\NC(N)=S)c3cc4ccccc4o3)C2)c(C)c1 ZINC000033305840 524254136 /nfs/dbraw/zinc/25/41/36/524254136.db2.gz BAXRJHCWTRFYQW-XTCLZLMSSA-N 0 0 405.567 5.263 40 30 HKEBRN COc1ccc(/C=C2\S/C(=N\c3ccccc3)N(C3CCCCC3)C2=O)c(OC)c1 ZINC000033347525 523427699 /nfs/dbraw/zinc/42/76/99/523427699.db2.gz JOQJOZDECZXVIT-YWROOUKNSA-N 0 0 422.550 5.641 40 30 HKEBRN CCOc1cc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)ccc1O ZINC000033347594 520633429 /nfs/dbraw/zinc/63/34/29/520633429.db2.gz BKHDTODHZWUOBR-WMOWQXFYSA-N 0 0 416.502 5.600 40 30 HKEBRN CCCCCCCCCCCCNC(=O)CCCC(=O)CCCCCCCCCC ZINC000033354534 520009494 /nfs/dbraw/zinc/00/94/94/520009494.db2.gz MFCZFIHMYHIHMF-UHFFFAOYSA-N 0 0 423.726 8.294 40 30 HKEBRN CCCCCCCCCCCCCCCCCCNC=C1C(=O)NC(=S)NC1=O ZINC000033354668 519997304 /nfs/dbraw/zinc/99/73/04/519997304.db2.gz SOWGMLVBBPPTEU-UHFFFAOYSA-N 0 0 423.667 5.252 40 30 HKEBRN CCCCCCCCCCS(=O)(=O)CCCOC(=O)CCCCCCCCC ZINC000033354673 520023016 /nfs/dbraw/zinc/02/30/16/520023016.db2.gz IDGRBCYTFGDTAL-UHFFFAOYSA-N 0 0 418.684 6.616 40 30 HKEBRN CC1(C)[C@@H]2CC[C@@]1(C)C(=O)/C2=C\N(OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000033368418 520640041 /nfs/dbraw/zinc/64/00/41/520640041.db2.gz MCCHTMOHYJPGQT-RQXHPJGPSA-N 0 0 420.465 5.082 40 30 HKEBRN O=C1N/C(=N/c2ccccc2)S/C1=C/c1ccc(OCc2ccccc2F)cc1 ZINC000033369969 568696612 /nfs/dbraw/zinc/69/66/12/568696612.db2.gz WTIOEHOIMDOTBI-KGENOOAVSA-N 0 0 404.466 5.296 40 30 HKEBRN COc1cc(CN=Nc2nc(-c3ccccc3)cs2)ccc1OCc1ccccc1 ZINC000033377356 521993201 /nfs/dbraw/zinc/99/32/01/521993201.db2.gz VXCUHURKXTXZRV-MFKUBSTISA-N 0 0 415.518 5.844 40 30 HKEBRN Clc1ccc(-c2csc(N=NCc3cccc(OCc4ccccc4)c3)n2)cc1 ZINC000033377445 526934971 /nfs/dbraw/zinc/93/49/71/526934971.db2.gz OWOTUHUHHJSIFN-AFUMVMLFSA-N 0 0 419.937 6.489 40 30 HKEBRN CCN(CC)c1ccc(CN=Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 ZINC000033377766 520883413 /nfs/dbraw/zinc/88/34/13/520883413.db2.gz SXDGQZOJROPOFE-FSJBWODESA-N 0 0 419.381 6.409 40 30 HKEBRN Clc1ccc(CN=Nc2nc(-c3ccc(Cl)cc3Cl)cs2)c(Cl)c1 ZINC000033377774 526938503 /nfs/dbraw/zinc/93/85/03/526938503.db2.gz IYTWSELXJVPDJZ-QPSGOUHRSA-N 0 0 417.148 6.870 40 30 HKEBRN N#Cc1ccc(C(=O)Nc2ccc(-c3cc4ccccc4oc3=O)c(Cl)c2)c(F)c1 ZINC000033380583 569350466 /nfs/dbraw/zinc/35/04/66/569350466.db2.gz JGXODYINIUTKTI-UHFFFAOYSA-N 0 0 418.811 5.376 40 30 HKEBRN O=[N+]([O-])c1ccc(NN=C(N=Nc2nc3ccccc3s2)c2ccccc2)cc1 ZINC000033387418 527357908 /nfs/dbraw/zinc/35/79/08/527357908.db2.gz WEVAQIIWOIRBRA-JRZMRYEWSA-N 0 0 402.439 5.762 40 30 HKEBRN COc1ccccc1/C=C1\S/C(=N\Cc2ccccc2)N(Cc2ccccc2)C1=O ZINC000033394099 524321877 /nfs/dbraw/zinc/32/18/77/524321877.db2.gz SSYRRANTXKHBDC-JTUXUYRKSA-N 0 0 414.530 5.368 40 30 HKEBRN O=[N+]([O-])c1ccc(COc2cccc(C=NNc3nc4ccccc4s3)c2)cc1 ZINC000033395799 527352840 /nfs/dbraw/zinc/35/28/40/527352840.db2.gz AZMVQNKOQXORDV-XKZIYDEJSA-N 0 0 404.451 5.230 40 30 HKEBRN CCOc1cc(C=NNc2nc3ccccc3s2)ccc1OCc1ccccc1 ZINC000033395905 520647131 /nfs/dbraw/zinc/64/71/31/520647131.db2.gz NVUSMARWVUWXLK-IWIPYMOSSA-N 0 0 403.507 5.720 40 30 HKEBRN Cc1cc(/C=C2\S/C(=N\C3CCCCC3)N(C3CCCCC3)C2=O)cc(C)c1O ZINC000033397700 569362328 /nfs/dbraw/zinc/36/23/28/569362328.db2.gz OVPWIBFDOKLJQH-PSYZWBJOSA-N 0 0 412.599 5.947 40 30 HKEBRN O=C1/C(=C/c2cccnc2)S/C(=N/c2ccccc2)N1CCc1ccc(Cl)cc1 ZINC000033400033 526942692 /nfs/dbraw/zinc/94/26/92/526942692.db2.gz USJMPEKXIMQRPT-GNDHVBMESA-N 0 0 419.937 5.582 40 30 HKEBRN O=C(CO/N=C\c1ccc(OCc2cccc(F)c2)cc1)Nc1ccc(Cl)cc1 ZINC000033405578 569362315 /nfs/dbraw/zinc/36/23/15/569362315.db2.gz ZPOQRIYKBUHAPH-MXAYSNPKSA-N 0 0 412.848 5.047 40 30 HKEBRN COc1ccc(/C=N\NC(=S)Nc2c(C)cccc2C)cc1OCc1ccccc1 ZINC000033405821 523457305 /nfs/dbraw/zinc/45/73/05/523457305.db2.gz RMRPFPRGZRUICT-MYYYXRDXSA-N 0 0 419.550 5.212 40 30 HKEBRN CCOc1ccc(/C=C2/S/C(=N\c3cccc(Cl)c3Cl)NC2=O)cc1OC ZINC000033416839 520850150 /nfs/dbraw/zinc/85/01/50/520850150.db2.gz BEWDJFZSLSXJPS-MHWRWJLKSA-N 0 0 423.321 5.292 40 30 HKEBRN C=CCN1C(=O)/C(=C\c2cn(Cc3ccc(Cl)cc3)c3ccccc23)SC1=S ZINC000033419729 518833727 /nfs/dbraw/zinc/83/37/27/518833727.db2.gz MVAMYWKKNFLSSG-UDWIEESQSA-N 0 0 424.978 5.730 40 30 HKEBRN C/C(=N/NC(=S)Nc1ccc(Cl)cc1Cl)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000033489212 518451366 /nfs/dbraw/zinc/45/13/66/518451366.db2.gz ZFWCBHLCUTWKET-ZBKNUEDVSA-N 0 0 417.705 5.266 40 30 HKEBRN C=CCc1cc(/C=C2\S/C(=N\c3ccc(Cl)cc3)NC2=O)cc(OCC)c1O ZINC000033491778 568697434 /nfs/dbraw/zinc/69/74/34/568697434.db2.gz CLQPVMTXSJETSP-PDGQHHTCSA-N 0 0 414.914 5.064 40 30 HKEBRN O=C(CO/N=C\c1cc(Cl)ccc1OCc1ccccc1F)Nc1ccccc1 ZINC000033516159 569362318 /nfs/dbraw/zinc/36/23/18/569362318.db2.gz YVZFPELHSHYOOM-MXAYSNPKSA-N 0 0 412.848 5.047 40 30 HKEBRN CC(C)(C)c1ccc(-c2cc(-c3ccc(Br)cc3)nc(N)c2C#N)cc1 ZINC000033528513 568697066 /nfs/dbraw/zinc/69/70/66/568697066.db2.gz BEXKQOWZUFGRAE-UHFFFAOYSA-N 0 0 406.327 5.929 40 30 HKEBRN Cc1cc(N2CCCC2)c(F)cc1C=[NH+][N-]c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000033557609 569362393 /nfs/dbraw/zinc/36/23/93/569362393.db2.gz KHVQYSWOSVAJCC-MYKKPKGFSA-N 0 0 410.371 5.107 40 30 HKEBRN CN(c1ccccc1)c1ccc(/C=N/N=C(/C(=O)c2ccccc2)c2ccccc2)cc1 ZINC000033573737 523651782 /nfs/dbraw/zinc/65/17/82/523651782.db2.gz DRFCRLBDMDXTCO-HSSWIBTOSA-N 0 0 417.512 6.161 40 30 HKEBRN O=C1/C(=C/c2cc(Cl)ccc2O)S/C(=N\c2ccccc2)N1C1CCCCC1 ZINC000033600792 569362402 /nfs/dbraw/zinc/36/24/02/569362402.db2.gz FQSYFLALSBWNRK-NJMAKWBESA-N 0 0 412.942 5.982 40 30 HKEBRN Cc1c(CN=Nc2ccc([N+](=O)[O-])cn2)c2ccccc2n1Cc1ccc(Cl)cc1 ZINC000033607707 525521458 /nfs/dbraw/zinc/52/14/58/525521458.db2.gz TUEWRELHHZQGAF-MXAYSNPKSA-N 0 0 419.872 5.401 40 30 HKEBRN COc1cc(C)c(/C=C2/S/C(=N\c3ccccc3)N(C(C)C)C2=O)cc1C(C)C ZINC000033618921 522182797 /nfs/dbraw/zinc/18/27/97/522182797.db2.gz MVGXPGUBTUFPGI-QMSJJHEMSA-N 0 0 408.567 6.139 40 30 HKEBRN O=[N+]([O-])c1cc(CN=Nc2c(F)c(F)c(C(F)(F)F)c(F)c2F)ccc1Cl ZINC000033621091 527326357 /nfs/dbraw/zinc/32/63/57/527326357.db2.gz IMUBXKKNFIGVTK-WVHIBCRRSA-N 0 0 415.652 5.269 40 30 HKEBRN O=S(=O)(c1ccccc1)N(Cc1ccccc1)c1ccc(N=C2CCCC2)cc1 ZINC000033627044 569362335 /nfs/dbraw/zinc/36/23/35/569362335.db2.gz VTIGWLVKPORWMM-UHFFFAOYSA-N 0 0 404.535 5.729 40 30 HKEBRN Cc1cc(Cl)c(C)c2c1S/C(=C1\Sc3c(c(C)c(Cl)cc3C)C1=O)C2=O ZINC000033650052 524846466 /nfs/dbraw/zinc/84/64/66/524846466.db2.gz WNQYKPVIXDBBAO-VXPUYCOJSA-N 0 0 421.370 6.716 40 30 HKEBRN COc1cc(C=NNc2nc3ccccc3s2)ccc1OCc1ccc(Cl)cc1 ZINC000033650560 522007128 /nfs/dbraw/zinc/00/71/28/522007128.db2.gz JESSIPLYLOPMCW-CFRMEGHHSA-N 0 0 423.925 5.983 40 30 HKEBRN Cc1ccc(NC(=O)CO/N=C\c2ccccc2OCc2ccc(Cl)cc2)cc1 ZINC000033667187 569362362 /nfs/dbraw/zinc/36/23/62/569362362.db2.gz UOMQQXMOOSSOBA-QFEZKATASA-N 0 0 408.885 5.217 40 30 HKEBRN N#Cc1ccccc1COc1ccc(Br)cc1C(=S)N1CCCCC1 ZINC000033667597 569350944 /nfs/dbraw/zinc/35/09/44/569350944.db2.gz BMMQJIJODSAHBQ-UHFFFAOYSA-N 0 0 415.356 5.061 40 30 HKEBRN Fc1cccc(Cl)c1COc1ccc(/C=N\NC(=S)Nc2ccccc2)cc1 ZINC000033676374 569362338 /nfs/dbraw/zinc/36/23/38/569362338.db2.gz SMCHBASCVAMYGX-CFRMEGHHSA-N 0 0 413.905 5.379 40 30 HKEBRN CC(C)c1nc(C#N)c(N=NCc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)o1 ZINC000033710941 519858401 /nfs/dbraw/zinc/85/84/01/519858401.db2.gz MXOCCZGCQCLASK-LGJNPRDNSA-N 0 0 414.444 5.107 40 30 HKEBRN Cc1cc(N2CCCC2)c(F)cc1/C=N/c1ccc(Oc2ccccc2Cl)cc1 ZINC000033717364 569362436 /nfs/dbraw/zinc/36/24/36/569362436.db2.gz VMIZIHGVXSFMMN-JVWAILMASA-N 0 0 408.904 6.931 40 30 HKEBRN C=CCn1c(SCC(=O)Nc2ccccc2C(C)C)nnc1-c1ccccc1F ZINC000033764284 568698604 /nfs/dbraw/zinc/69/86/04/568698604.db2.gz OCKCFEWCIZMIAH-UHFFFAOYSA-N 0 0 410.518 5.124 40 30 HKEBRN C=CCN1C(=O)/C(=C2/Sc3ccccc3N2CC)S/C1=N\c1ccccc1C ZINC000033766094 121235339 /nfs/dbraw/zinc/23/53/39/121235339.db2.gz PJHSRQIMRCARLG-BEIQUOEZSA-N 0 0 407.564 5.545 40 30 HKEBRN C=CCN(CC=C)C(=O)Nc1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 ZINC000033768032 569351350 /nfs/dbraw/zinc/35/13/50/569351350.db2.gz IZGXUZLWMAHRQW-UHFFFAOYSA-N 0 0 420.516 6.170 40 30 HKEBRN C=CCN1C(=O)/C(=C\c2cn(Cc3ccc(F)cc3)c3ccccc23)SC1=S ZINC000033778183 568698693 /nfs/dbraw/zinc/69/86/93/568698693.db2.gz UPTJBVRIVUUADW-UDWIEESQSA-N 0 0 408.523 5.216 40 30 HKEBRN C(=N/c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)\c1cccc(Oc2ccccc2)c1 ZINC000033789717 518379152 /nfs/dbraw/zinc/37/91/52/518379152.db2.gz LNGSIGVZRPXGJK-TWKHWXDSSA-N 0 0 407.557 7.697 40 30 HKEBRN CCNC(=S)N/N=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1 ZINC000033793281 569362451 /nfs/dbraw/zinc/36/24/51/569362451.db2.gz UVAAFAORVMFWPK-LSFURLLWSA-N 0 0 416.761 5.044 40 30 HKEBRN N#Cc1ccccc1COc1c(Cl)cc(C(=S)N2CCCCC2)cc1Cl ZINC000033795269 569351388 /nfs/dbraw/zinc/35/13/88/569351388.db2.gz YRAJAMCTBBIHCG-UHFFFAOYSA-N 0 0 405.350 5.605 40 30 HKEBRN C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCCC(C)C)C[C@@H](O)C[C@H]1O ZINC000033820663 569027747 /nfs/dbraw/zinc/02/77/47/569027747.db2.gz OFHCOWSQAMBJIW-FLFCXVRSSA-N 0 0 400.647 6.590 40 30 in-vitro HKEBRN C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)CCC[C@](C)(O)CO ZINC000033820679 518663863 /nfs/dbraw/zinc/66/38/63/518663863.db2.gz QOWCBCXATJITSI-DEORFHHGSA-N 0 0 416.646 5.706 40 30 in-vitro HKEBRN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000033820994 559248055 /nfs/dbraw/zinc/24/80/55/559248055.db2.gz IOIZWEJGGCZDOL-BXLWXSRCSA-N 0 0 400.647 6.568 40 30 in-vitro HKEBRN O=C1/C(=C\c2c[nH]c3ccccc23)S/C(=N/c2ccccc2)N1C1CCCCC1 ZINC000033821578 526944701 /nfs/dbraw/zinc/94/47/01/526944701.db2.gz FLHVPPZLQKSDTD-UMUYUUQJSA-N 0 0 401.535 6.105 40 30 HKEBRN O=C1/C(=C/c2ccco2)S/C(=N\c2ccc(Cl)cc2)N1c1ccc(Cl)cc1 ZINC000033828522 569362450 /nfs/dbraw/zinc/36/24/50/569362450.db2.gz OGXRUXBLGGGNBV-AWDJCAROSA-N 0 0 415.301 6.395 40 30 HKEBRN C=C(C)[C@H](CC=C(C)C)Cc1c(O)cc(O)c2c1O[C@H](c1ccccc1O)CC2=O ZINC000033832185 291281698 /nfs/dbraw/zinc/28/16/98/291281698.db2.gz OGBMVWVBHWHRGD-MWTRTKDXSA-N 0 0 408.494 5.601 40 30 biogenic,in-vivo HKEBRN c1ccc(N=C2Nc3ccccc3C2=C2c3ccccc3NC2=Nc2ccccc2)cc1 ZINC000033849212 526459847 /nfs/dbraw/zinc/45/98/47/526459847.db2.gz AFXSTDUJCLHWSC-QPLCGJKRSA-N 0 0 412.496 6.909 40 30 HKEBRN S=C(N/N=C\c1ccc(Cl)c(Cl)c1)N/N=C\c1ccc(Cl)c(Cl)c1 ZINC000033854957 526382728 /nfs/dbraw/zinc/38/27/28/526382728.db2.gz USIJFGMDDKBLAB-MESHQIMYSA-N 0 0 420.152 5.132 40 30 HKEBRN S=C(N/N=C/c1ccc(Cl)c(Cl)c1)N/N=C\c1ccc(Cl)c(Cl)c1 ZINC000033854959 526382448 /nfs/dbraw/zinc/38/24/48/526382448.db2.gz USIJFGMDDKBLAB-HBDSXEKQSA-N 0 0 420.152 5.132 40 30 HKEBRN COc1ccc(Br)c2c1/C(=N/OC(=O)c1cccc3ccccc31)CC2 ZINC000033860213 523487190 /nfs/dbraw/zinc/48/71/90/523487190.db2.gz LNZAIAYGKDXOMO-PTGBLXJZSA-N 0 0 410.267 5.118 40 30 HKEBRN CSC1=N[C@@H](c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C(C(C)=O)=C(C)N1C ZINC000033864169 569362449 /nfs/dbraw/zinc/36/24/49/569362449.db2.gz YBRZSCQOEVMCRX-SFHVURJKSA-N 0 0 419.890 5.077 40 30 HKEBRN CSC1=N[C@H](c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C(C(C)=O)=C(C)N1C ZINC000033864170 569362511 /nfs/dbraw/zinc/36/25/11/569362511.db2.gz YBRZSCQOEVMCRX-GOSISDBHSA-N 0 0 419.890 5.077 40 30 HKEBRN O=C(CO/N=C\c1cc(Cl)ccc1OCc1ccc(F)cc1)Nc1ccccc1 ZINC000033879261 568698280 /nfs/dbraw/zinc/69/82/80/568698280.db2.gz OLJVVIAVEXHSCY-MXAYSNPKSA-N 0 0 412.848 5.047 40 30 HKEBRN COc1cc(C(=S)N2CCC(C)CC2)cc(Cl)c1OCc1ccccc1C#N ZINC000033887101 569351461 /nfs/dbraw/zinc/35/14/61/569351461.db2.gz SOCOQFIIPJOZBD-UHFFFAOYSA-N 0 0 414.958 5.207 40 30 HKEBRN COc1ccc(CN=Nc2nc(-c3ccc(Cl)cc3)nc3ccccc32)c(OC)c1 ZINC000033889978 523459275 /nfs/dbraw/zinc/45/92/75/523459275.db2.gz IMRVUCXHGZYKGL-QFEZKATASA-N 0 0 418.884 5.413 40 30 HKEBRN O=[N+]([O-])c1ccc(N=NCc2cc(Cl)c(OCc3ccccc3)c(Cl)c2)nc1 ZINC000033905574 527359592 /nfs/dbraw/zinc/35/95/92/527359592.db2.gz GNLNGRQQSUMEQL-RMORIDSASA-N 0 0 417.252 5.322 40 30 HKEBRN O=[N+]([O-])c1ccc(CN=Nc2nc(-c3ccccc3)cc(-c3ccc(F)cc3)n2)cc1 ZINC000033906589 527346444 /nfs/dbraw/zinc/34/64/44/527346444.db2.gz HHNZRANTXJYIIH-MYYYXRDXSA-N 0 0 413.412 5.304 40 30 HKEBRN O=[N+]([O-])c1cccc(CN=Nc2nc(-c3ccccc3)cc(-c3ccc(F)cc3)n2)c1 ZINC000033906591 527384279 /nfs/dbraw/zinc/38/42/79/527384279.db2.gz ILNPXLYHLFIHKB-MYYYXRDXSA-N 0 0 413.412 5.304 40 30 HKEBRN COc1ccc(CN=Nc2nc(-c3ccccc3)cc(-c3ccc(Cl)cc3)n2)cc1 ZINC000033906608 523462468 /nfs/dbraw/zinc/46/24/68/523462468.db2.gz GWZAMKMNJBNMTJ-QQXSKIMKSA-N 0 0 414.896 5.919 40 30 HKEBRN C=CCN1C(=O)/C(=C2/Sc3ccccc3N2CC)S/C1=N\c1ccc(C)cc1C ZINC000033919719 121239021 /nfs/dbraw/zinc/23/90/21/121239021.db2.gz HIBONOLURYFSEI-ZMPCKTLKSA-N 0 0 421.591 5.854 40 30 HKEBRN COCc1cc(C)nc(N=NCc2ccc(-c3ccc(Cl)cc3Cl)o2)c1C#N ZINC000033922023 569362438 /nfs/dbraw/zinc/36/24/38/569362438.db2.gz YAOKYGSMPUXWJO-VROXFSQNSA-N 0 0 415.280 5.421 40 30 HKEBRN CC1[C@H]2CCCC[C@]2(C#N)N(Cc2ccccc2C(F)(F)F)[C@@]2(C#N)CCCC[C@H]12 ZINC000033928953 521057254 /nfs/dbraw/zinc/05/72/54/521057254.db2.gz SOTMWCFQLUSXKP-OHUMZHCVSA-N 0 0 415.503 6.062 40 30 HKEBRN CC1[C@H]2CCCC[C@]2(C#N)N(Cc2ccccc2C(F)(F)F)[C@]2(C#N)CCCC[C@@H]12 ZINC000033928955 521058124 /nfs/dbraw/zinc/05/81/24/521058124.db2.gz SOTMWCFQLUSXKP-UCCJWERRSA-N 0 0 415.503 6.062 40 30 HKEBRN CC1[C@H]2CCCC[C@@]2(C#N)N(Cc2ccccc2C(F)(F)F)[C@@]2(C#N)CCCC[C@H]12 ZINC000033928956 521058615 /nfs/dbraw/zinc/05/86/15/521058615.db2.gz SOTMWCFQLUSXKP-PSKFWPKQSA-N 0 0 415.503 6.062 40 30 HKEBRN C[C@@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC/C2=N\N=C\c1ccc(Cl)cc1 ZINC000033957376 525914232 /nfs/dbraw/zinc/91/42/32/525914232.db2.gz PZMASCFNOYVBCT-FEUOJKLQSA-N 0 0 406.957 6.377 40 30 HKEBRN C[C@@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC/C2=N\N=C\c1ccc(Cl)cc1 ZINC000033957378 525913820 /nfs/dbraw/zinc/91/38/20/525913820.db2.gz PZMASCFNOYVBCT-HABTXOPUSA-N 0 0 406.957 6.377 40 30 HKEBRN C[C@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC/C2=N\N=C\c1ccc(Cl)cc1 ZINC000033957379 525353151 /nfs/dbraw/zinc/35/31/51/525353151.db2.gz PZMASCFNOYVBCT-INCSKIAMSA-N 0 0 406.957 6.377 40 30 HKEBRN C[C@@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC/C2=N\N=C\c1c(F)cccc1Cl ZINC000033957388 525913676 /nfs/dbraw/zinc/91/36/76/525913676.db2.gz XQQADLVGNFCRTE-CELNVRQLSA-N 0 0 424.947 6.516 40 30 HKEBRN C[C@@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC/C2=N\N=C\c1c(F)cccc1Cl ZINC000033957390 525914641 /nfs/dbraw/zinc/91/46/41/525914641.db2.gz XQQADLVGNFCRTE-NBZPJIFTSA-N 0 0 424.947 6.516 40 30 HKEBRN C[C@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC/C2=N\N=C\c1c(F)cccc1Cl ZINC000033957391 525353715 /nfs/dbraw/zinc/35/37/15/525353715.db2.gz XQQADLVGNFCRTE-ALCNNCAISA-N 0 0 424.947 6.516 40 30 HKEBRN C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@@H](C)CCCC(C)(C)O)C[C@@H](O)C[C@H]1O ZINC000033969738 518657076 /nfs/dbraw/zinc/65/70/76/518657076.db2.gz GMRQFYUYWCNGIN-QQGLGBOKSA-N 0 0 416.646 5.705 40 30 HKEBRN C[C@@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1C/C(=C\c1ccc(OC(F)F)cc1)C2=O ZINC000034112430 525913839 /nfs/dbraw/zinc/91/38/39/525913839.db2.gz PROGDNSPTJYDEC-BIENJOIISA-N 0 0 424.487 6.112 40 30 HKEBRN C[C@@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1C/C(=C\c1ccc(OC(F)F)cc1)C2=O ZINC000034112433 525914315 /nfs/dbraw/zinc/91/43/15/525914315.db2.gz PROGDNSPTJYDEC-JUUUPRSMSA-N 0 0 424.487 6.112 40 30 HKEBRN C[C@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1C/C(=C\c1ccc(OC(F)F)cc1)C2=O ZINC000034112435 525353326 /nfs/dbraw/zinc/35/33/26/525353326.db2.gz PROGDNSPTJYDEC-IBOJMUIXSA-N 0 0 424.487 6.112 40 30 HKEBRN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)C4=C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000034165714 568698923 /nfs/dbraw/zinc/69/89/23/568698923.db2.gz NCHPULCZWCKWHV-ACVICXQNSA-N 0 0 400.647 6.568 40 30 HKEBRN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)C4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000034165715 568698991 /nfs/dbraw/zinc/69/89/91/568698991.db2.gz NCHPULCZWCKWHV-OLSNINGUSA-N 0 0 400.647 6.568 40 30 HKEBRN COc1ccc(CN=Nc2nc(-c3ccc(Cl)cc3)nc3ccccc32)cc1OC ZINC000034377713 523462354 /nfs/dbraw/zinc/46/23/54/523462354.db2.gz BSQMBRJYUYIBAM-QFEZKATASA-N 0 0 418.884 5.413 40 30 HKEBRN O=C1/C(=C\c2ccc(Cl)cc2)S/C(=N/c2ccccc2)N1Cc1ccccc1 ZINC000034701057 526946069 /nfs/dbraw/zinc/94/60/69/526946069.db2.gz OYEDIWAISPLENA-DIRPYQRSSA-N 0 0 404.922 6.144 40 30 HKEBRN O=C(CO/N=C\c1ccc(OCc2ccccc2F)cc1)Nc1ccc(Cl)cc1 ZINC000034705752 569362452 /nfs/dbraw/zinc/36/24/52/569362452.db2.gz TUFHFRAZMTWCLP-MXAYSNPKSA-N 0 0 412.848 5.047 40 30 HKEBRN Cc1cc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc(C)c1O ZINC000034720020 569362477 /nfs/dbraw/zinc/36/24/77/569362477.db2.gz VIXQQXPVXKQZLY-PSYZWBJOSA-N 0 0 400.503 5.818 40 30 HKEBRN Cc1c(Cl)cccc1/N=C1\NC(=O)/C(=C\c2cccn2-c2ccc(O)cc2)S1 ZINC000034745817 525750083 /nfs/dbraw/zinc/75/00/83/525750083.db2.gz GCQFGRKZMLWMFW-XDHOZWIPSA-N 0 0 409.898 5.036 40 30 HKEBRN Cc1nnc(Sc2ccc(/C=C3\Sc4ccccc4C3=O)cc2[N+](=O)[O-])s1 ZINC000034771891 569362443 /nfs/dbraw/zinc/36/24/43/569362443.db2.gz DWSINWALELALQK-SXGWCWSVSA-N 0 0 413.505 5.235 40 30 HKEBRN Cc1sc(NC(=O)CSc2nc3cc(C)c(C)cc3cc2C#N)c(C#N)c1C ZINC000034791534 557016681 /nfs/dbraw/zinc/01/66/81/557016681.db2.gz GNVCASWYZHNYFH-UHFFFAOYSA-N 0 0 406.536 5.004 40 30 HKEBRN Cc1cc2cc(C#N)c(SCC(=O)Nc3nc4ccccc4s3)nc2cc1C ZINC000034791541 568827350 /nfs/dbraw/zinc/82/73/50/568827350.db2.gz XJCSTVVVBCELQV-UHFFFAOYSA-N 0 0 404.520 5.064 40 30 HKEBRN Cc1cc2cc(C#N)c(SCC(=O)Nc3ccccc3C(F)(F)F)nc2cc1C ZINC000034791549 568827396 /nfs/dbraw/zinc/82/73/96/568827396.db2.gz JDCIXMMIAHGCQJ-UHFFFAOYSA-N 0 0 415.440 5.473 40 30 HKEBRN O=C(CO/N=C\c1ccc(OCc2ccc(F)cc2)cc1)Nc1ccc(Cl)cc1 ZINC000034794686 569362478 /nfs/dbraw/zinc/36/24/78/569362478.db2.gz VURRKAVKWUHPPG-MXAYSNPKSA-N 0 0 412.848 5.047 40 30 HKEBRN Clc1ccc(-c2nc(N=NC=CCc3ccccc3)sc2-c2ccccc2)cc1 ZINC000034804807 557018083 /nfs/dbraw/zinc/01/80/83/557018083.db2.gz GXGSOKGIDNTLDT-LGFPMUJSSA-N 0 0 415.949 7.242 40 30 HKEBRN Clc1ccc(-c2sc(N=NC=CCc3ccccc3)nc2-c2ccccc2)cc1 ZINC000034804810 557018052 /nfs/dbraw/zinc/01/80/52/557018052.db2.gz QUALKCAQKLQWLP-LGFPMUJSSA-N 0 0 415.949 7.242 40 30 HKEBRN C[C@H](c1ccccc1)N1C(=O)/C(=C/c2ccc(Cl)cc2)S/C1=N\c1ccccc1 ZINC000034805999 526097047 /nfs/dbraw/zinc/09/70/47/526097047.db2.gz CXJQJYIJHWEYQN-UGVCYYKNSA-N 0 0 418.949 6.705 40 30 HKEBRN N#Cc1c(Cl)nc(Cl)c(Cl)c1N(C[C@H]1CCCO1)C[C@H]1CC=CCC1 ZINC000034869143 568829888 /nfs/dbraw/zinc/82/98/88/568829888.db2.gz YCMWNXIKOMYOIV-QWHCGFSZSA-N 0 0 400.737 5.255 40 30 HKEBRN CCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2CC)S/C1=N\c1ccccc1 ZINC000034876180 121246601 /nfs/dbraw/zinc/24/66/01/121246601.db2.gz KVDCTBMOLLKBGA-QHQVFXOCSA-N 0 0 411.552 5.079 40 30 HKEBRN CC(C)(C)C(=O)[C@@H]1[C@H](c2cccc(Cl)c2)C(C#N)(C#N)[C@H]2c3ccccc3C=CN21 ZINC000034888899 518595640 /nfs/dbraw/zinc/59/56/40/518595640.db2.gz GRONKESKVLEQQO-FDFHNCONSA-N 0 0 415.924 5.482 40 30 HKEBRN CC(C)(C)C(=O)[C@H]1[C@H](c2cccc(Cl)c2)C(C#N)(C#N)[C@H]2c3ccccc3C=CN12 ZINC000034888900 518594568 /nfs/dbraw/zinc/59/45/68/518594568.db2.gz GRONKESKVLEQQO-BHDDXSALSA-N 0 0 415.924 5.482 40 30 HKEBRN CC(C)(C)C(=O)[C@@H]1[C@@H](c2cccc(Cl)c2)C(C#N)(C#N)[C@H]2c3ccccc3C=CN21 ZINC000034888901 518592700 /nfs/dbraw/zinc/59/27/00/518592700.db2.gz GRONKESKVLEQQO-BHIFYINESA-N 0 0 415.924 5.482 40 30 HKEBRN CC(C)(C)C(=O)[C@H]1[C@@H](c2cccc(Cl)c2)C(C#N)(C#N)[C@H]2c3ccccc3C=CN12 ZINC000034888902 518595449 /nfs/dbraw/zinc/59/54/49/518595449.db2.gz GRONKESKVLEQQO-YPAWHYETSA-N 0 0 415.924 5.482 40 30 HKEBRN CC/N=C1/S/C(=C/c2ccccc2OCc2ccccc2Cl)C(=O)N1CC ZINC000035041751 557268447 /nfs/dbraw/zinc/26/84/47/557268447.db2.gz CCZBLYBNBKHMMT-TZIVZOBOSA-N 0 0 400.931 5.231 40 30 HKEBRN CC/N=C1/S/C(=C/c2ccc(OCc3ccccc3Cl)cc2)C(=O)N1CC ZINC000035041780 557268469 /nfs/dbraw/zinc/26/84/69/557268469.db2.gz PKWPZMFINBJVNP-TZIVZOBOSA-N 0 0 400.931 5.231 40 30 HKEBRN C=CCOc1ccc(/C=C2\C=C(c3ccc(OC)cc3)OC2=O)cc1Br ZINC000035044071 557270746 /nfs/dbraw/zinc/27/07/46/557270746.db2.gz FDPRVVWTXXQEOV-LFIBNONCSA-N 0 0 413.267 5.004 40 30 HKEBRN c1ccc2sc(N=NC3CCCC(N=Nc4nc5ccccc5s4)C3)nc2c1 ZINC000035044131 526522272 /nfs/dbraw/zinc/52/22/72/526522272.db2.gz VXEHKEGBVJQEMZ-NQGGHMMCSA-N 0 0 406.540 5.716 40 30 HKEBRN S=C(N/N=C\c1ccc(Cl)cc1Cl)N/N=C\c1ccc(Cl)cc1Cl ZINC000035104818 526382434 /nfs/dbraw/zinc/38/24/34/526382434.db2.gz SKCDBPJQYUHJFC-MESHQIMYSA-N 0 0 420.152 5.132 40 30 HKEBRN S=C(N/N=C/c1ccc(Cl)cc1Cl)N/N=C\c1ccc(Cl)cc1Cl ZINC000035104819 526383110 /nfs/dbraw/zinc/38/31/10/526383110.db2.gz SKCDBPJQYUHJFC-HBDSXEKQSA-N 0 0 420.152 5.132 40 30 HKEBRN Cc1ccc(NC(=O)CO/N=C\c2ccc(OCc3cccc4ccccc43)cc2)cc1 ZINC000035151619 569362570 /nfs/dbraw/zinc/36/25/70/569362570.db2.gz JPRSNVKKGORQPW-QRQIAZFYSA-N 0 0 424.500 5.716 40 30 HKEBRN COc1cc(CN=Nc2c(F)c(F)c(C(F)(F)F)c(F)c2F)c(Cl)cc1O ZINC000035189673 522006664 /nfs/dbraw/zinc/00/66/64/522006664.db2.gz YVJHSRLHGBJOOX-QDPJQKAKSA-N 0 0 416.680 5.075 40 30 HKEBRN Cc1cc(C)c2cc(C#N)c(SCC(=O)Nc3nc4ccccc4s3)nc2c1 ZINC000035288724 557668752 /nfs/dbraw/zinc/66/87/52/557668752.db2.gz WNLRKDKMWNPWFN-UHFFFAOYSA-N 0 0 404.520 5.064 40 30 HKEBRN Cc1cc2cc(C#N)c(SCC(=O)Nc3ccc(N4CCCC4)cc3)nc2cc1C ZINC000035288741 557668787 /nfs/dbraw/zinc/66/87/87/557668787.db2.gz JFMFAMMZTXVGII-UHFFFAOYSA-N 0 0 416.550 5.054 40 30 HKEBRN CCOc1ccccc1NC(=O)CSc1nc2ccc(C(C)C)cc2cc1C#N ZINC000035288910 569016858 /nfs/dbraw/zinc/01/68/58/569016858.db2.gz FLFCRJHJFLJCON-UHFFFAOYSA-N 0 0 405.523 5.359 40 30 HKEBRN CC(C)c1ccc2nc(SCC(=O)Nc3ccc(N(C)C)cc3)c(C#N)cc2c1 ZINC000035288917 569016906 /nfs/dbraw/zinc/01/69/06/569016906.db2.gz KUVMDTQVXSZZCU-UHFFFAOYSA-N 0 0 404.539 5.027 40 30 HKEBRN CC(=O)c1cccc(NC(=O)CSc2nc3ccc(C(C)C)cc3cc2C#N)c1 ZINC000035288919 569016924 /nfs/dbraw/zinc/01/69/24/569016924.db2.gz LZKAHGOTIVMZLI-UHFFFAOYSA-N 0 0 403.507 5.163 40 30 HKEBRN Cc1ccc(C)c2nc(SCC(=O)Nc3nc4ccccc4s3)c(C#N)cc12 ZINC000035289048 569016900 /nfs/dbraw/zinc/01/69/00/569016900.db2.gz MMQUPTSRVRLXPN-UHFFFAOYSA-N 0 0 404.520 5.064 40 30 HKEBRN CCOc1ccc2cc(C#N)c(SCC(=O)Nc3cccc4ccccc43)nc2c1 ZINC000035291273 569025383 /nfs/dbraw/zinc/02/53/83/569025383.db2.gz HKPVKFQFZXFACN-UHFFFAOYSA-N 0 0 413.502 5.389 40 30 HKEBRN Cc1cc(C)c2cc(C#N)c(NCCCNC(=O)Nc3ccccc3Cl)nc2c1 ZINC000035291510 569025402 /nfs/dbraw/zinc/02/54/02/569025402.db2.gz POAMETRAXGYPDN-UHFFFAOYSA-N 0 0 407.905 5.000 40 30 HKEBRN Cc1ccc2cc(C#N)c(NCCCNC(=O)Nc3ccccc3Cl)nc2c1C ZINC000035291940 569025395 /nfs/dbraw/zinc/02/53/95/569025395.db2.gz YDFZHVVGXCOALG-UHFFFAOYSA-N 0 0 407.905 5.000 40 30 HKEBRN CSc1ccc(NC(=O)NCCCNc2nc3c(C)c(C)ccc3cc2C#N)cc1 ZINC000035291947 557679940 /nfs/dbraw/zinc/67/99/40/557679940.db2.gz ZIZHIFDTGUZYSG-UHFFFAOYSA-N 0 0 419.554 5.069 40 30 HKEBRN CCc1ccc(NC(=S)NCCCNc2nc3c(C)c(C)ccc3cc2C#N)cc1 ZINC000035291952 569025390 /nfs/dbraw/zinc/02/53/90/569025390.db2.gz AMFYRYLWUMQVNQ-UHFFFAOYSA-N 0 0 417.582 5.074 40 30 HKEBRN Cc1ccc2cc(C#N)c(NCCCNC(=S)Nc3ccc(Cl)cc3)nc2c1C ZINC000035291958 569025399 /nfs/dbraw/zinc/02/53/99/569025399.db2.gz NNOLOKZOAZZIPG-UHFFFAOYSA-N 0 0 423.973 5.165 40 30 HKEBRN Cc1ccc2cc(C#N)c(NCCCNC(=S)Nc3ccccc3Cl)nc2c1C ZINC000035291971 569025400 /nfs/dbraw/zinc/02/54/00/569025400.db2.gz JGZIYTHJSDDFNI-UHFFFAOYSA-N 0 0 423.973 5.165 40 30 HKEBRN Cc1cccc(NC(=S)NCCCNc2nc3c(C)c(C)ccc3cc2C#N)c1C ZINC000035291974 569025427 /nfs/dbraw/zinc/02/54/27/569025427.db2.gz MWHWNMKMFGHETC-UHFFFAOYSA-N 0 0 417.582 5.129 40 30 HKEBRN Cc1cc(C)cc(NC(=S)NCCCNc2nc3c(C)c(C)ccc3cc2C#N)c1 ZINC000035291978 569025409 /nfs/dbraw/zinc/02/54/09/569025409.db2.gz KKXRZAYBRSLEIJ-UHFFFAOYSA-N 0 0 417.582 5.129 40 30 HKEBRN Cc1ccc(C)c(NC(=S)NCCCNc2nc3cc(C)cc(C)c3cc2C#N)c1 ZINC000035292302 569025471 /nfs/dbraw/zinc/02/54/71/569025471.db2.gz XGUHFXVVEWBIMA-UHFFFAOYSA-N 0 0 417.582 5.129 40 30 HKEBRN Cc1cc(C)c2cc(C#N)c(NCCCNC(=S)Nc3ccc(Cl)cc3)nc2c1 ZINC000035292314 569025489 /nfs/dbraw/zinc/02/54/89/569025489.db2.gz ACYCRRXNWNAUFL-UHFFFAOYSA-N 0 0 423.973 5.165 40 30 HKEBRN Cc1cc(C)c2cc(C#N)c(NCCCNC(=S)Nc3cccc(Cl)c3)nc2c1 ZINC000035292329 569025466 /nfs/dbraw/zinc/02/54/66/569025466.db2.gz DGFDENWAPBMJOU-UHFFFAOYSA-N 0 0 423.973 5.165 40 30 HKEBRN Cc1cc(C)c2cc(C#N)c(NCCCNC(=S)Nc3ccccc3Cl)nc2c1 ZINC000035292334 569025486 /nfs/dbraw/zinc/02/54/86/569025486.db2.gz QOCHAMVBGUMNLJ-UHFFFAOYSA-N 0 0 423.973 5.165 40 30 HKEBRN Cc1cc(C)c2cc(C#N)c(NCCCNC(=S)Nc3cccc(C)c3C)nc2c1 ZINC000035292340 557680875 /nfs/dbraw/zinc/68/08/75/557680875.db2.gz QNHQJKCCZUSXRO-UHFFFAOYSA-N 0 0 417.582 5.129 40 30 HKEBRN C/C(=N/N1CCN(C2c3ccccc3-c3ccccc32)CC1)c1ccccc1Cl ZINC000035302161 518449664 /nfs/dbraw/zinc/44/96/64/518449664.db2.gz GGCBMLNDDRSMJS-IMRQLAEWSA-N 0 0 401.941 5.452 40 30 HKEBRN Cc1ccc2cc(C#N)c(NCCCNC(=S)Nc3cccc(Cl)c3)nc2c1C ZINC000035310894 569030767 /nfs/dbraw/zinc/03/07/67/569030767.db2.gz VHNMJXBKPSVUDZ-UHFFFAOYSA-N 0 0 423.973 5.165 40 30 HKEBRN CCc1ccc(NC(=S)NCCCNc2nc3cc(C)cc(C)c3cc2C#N)cc1 ZINC000035310900 569030744 /nfs/dbraw/zinc/03/07/44/569030744.db2.gz CKUQRCXKVWXETJ-UHFFFAOYSA-N 0 0 417.582 5.074 40 30 HKEBRN Cc1cc(C)c2cc(C#N)c(NCCCNC(=S)Nc3ccc(C)c(C)c3)nc2c1 ZINC000035310903 569030778 /nfs/dbraw/zinc/03/07/78/569030778.db2.gz MDHYFOHOFWHKMH-UHFFFAOYSA-N 0 0 417.582 5.129 40 30 HKEBRN Cc1ccc2cc(C#N)c(SCC(=O)Nc3ccccc3-c3ccccc3)nc2c1 ZINC000035311701 569030787 /nfs/dbraw/zinc/03/07/87/569030787.db2.gz 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569030824 /nfs/dbraw/zinc/03/08/24/569030824.db2.gz LYGNRHBSRBQXBE-UHFFFAOYSA-N 0 0 417.582 5.074 40 30 HKEBRN CCc1ccc2nc(NCCCNC(=S)Nc3ccc(C)c(C)c3)c(C#N)cc2c1 ZINC000035311742 569030805 /nfs/dbraw/zinc/03/08/05/569030805.db2.gz NIKKFTJYSGEPAG-UHFFFAOYSA-N 0 0 417.582 5.074 40 30 HKEBRN CCc1ccc2nc(NCCCNC(=S)Nc3cc(C)cc(C)c3)c(C#N)cc2c1 ZINC000035311743 569030790 /nfs/dbraw/zinc/03/07/90/569030790.db2.gz NKJOUEWGFRKXLT-UHFFFAOYSA-N 0 0 417.582 5.074 40 30 HKEBRN COc1ccc(C)cc1NC(=O)CSc1nc2ccc(C(C)C)cc2cc1C#N ZINC000035311840 569030815 /nfs/dbraw/zinc/03/08/15/569030815.db2.gz WDVCJQBNCHUNSP-UHFFFAOYSA-N 0 0 405.523 5.278 40 30 HKEBRN Cc1ccc2nc(SCC(=O)Nc3ccccc3-c3ccccc3)c(C#N)cc2c1 ZINC000035311876 569030867 /nfs/dbraw/zinc/03/08/67/569030867.db2.gz NAMHZICOFXPCNY-UHFFFAOYSA-N 0 0 409.514 5.813 40 30 HKEBRN Cc1cc(C)c2cc(C#N)c(SCC(=O)Nc3ccccc3-c3ccccc3)nc2c1 ZINC000035312309 557688192 /nfs/dbraw/zinc/68/81/92/557688192.db2.gz HBCXOYUKKINZDB-UHFFFAOYSA-N 0 0 423.541 6.121 40 30 HKEBRN Cc1cc(C)c2nc(NCCCNC(=O)Nc3ccccc3Cl)c(C#N)cc2c1 ZINC000035312785 557688536 /nfs/dbraw/zinc/68/85/36/557688536.db2.gz DJBNOPGPJRCKDP-UHFFFAOYSA-N 0 0 407.905 5.000 40 30 HKEBRN CSc1ccc(NC(=O)NCCCNc2nc3c(C)cc(C)cc3cc2C#N)cc1 ZINC000035312789 557688542 /nfs/dbraw/zinc/68/85/42/557688542.db2.gz AFIDDSNGYXTQAR-UHFFFAOYSA-N 0 0 419.554 5.069 40 30 HKEBRN Cc1cc(C)c2nc(NCCCNC(=S)Nc3ccc(Cl)cc3)c(C#N)cc2c1 ZINC000035312810 569030928 /nfs/dbraw/zinc/03/09/28/569030928.db2.gz RRIHKSLZOUZPJI-UHFFFAOYSA-N 0 0 423.973 5.165 40 30 HKEBRN Cc1cc(C)c2nc(NCCCNC(=S)Nc3cccc(Cl)c3)c(C#N)cc2c1 ZINC000035312813 569030921 /nfs/dbraw/zinc/03/09/21/569030921.db2.gz NBCUQRLLGQCEOB-UHFFFAOYSA-N 0 0 423.973 5.165 40 30 HKEBRN Cc1cc(C)c2nc(NCCCNC(=S)Nc3ccccc3Cl)c(C#N)cc2c1 ZINC000035312815 569030935 /nfs/dbraw/zinc/03/09/35/569030935.db2.gz QBMLELZXQZGRKQ-UHFFFAOYSA-N 0 0 423.973 5.165 40 30 HKEBRN Cc1cc(C)c2nc(NCCCNC(=S)Nc3cccc(C)c3C)c(C#N)cc2c1 ZINC000035312844 569030923 /nfs/dbraw/zinc/03/09/23/569030923.db2.gz VFNUNINYRRPANH-UHFFFAOYSA-N 0 0 417.582 5.129 40 30 HKEBRN Cc1cc(C)c2nc(NCCCNC(=S)Nc3ccc(C)c(C)c3)c(C#N)cc2c1 ZINC000035312845 569030902 /nfs/dbraw/zinc/03/09/02/569030902.db2.gz NZXSPZVYTXJYQT-UHFFFAOYSA-N 0 0 417.582 5.129 40 30 HKEBRN Cc1cccc2cc(C#N)c(SCC(=O)Nc3ccccc3-c3ccccc3)nc12 ZINC000035314358 569030938 /nfs/dbraw/zinc/03/09/38/569030938.db2.gz HSBLYBSAPYQPPH-UHFFFAOYSA-N 0 0 409.514 5.813 40 30 HKEBRN O=C(C=C(Nc1cccc2[nH]c(-c3ccccc3)cc21)c1ccccc1)c1ccccc1 ZINC000035325056 527592275 /nfs/dbraw/zinc/59/22/75/527592275.db2.gz UIAXASYBARFZDW-VFCFBJKWSA-N 0 0 414.508 7.171 40 30 HKEBRN CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000035415703 519648284 /nfs/dbraw/zinc/64/82/84/519648284.db2.gz VUCDSTCRVYGRSG-NXAOOIFMSA-N 0 0 400.647 6.568 40 30 HKEBRN CCOc1ccc(/C=C2/S/C(=N\c3ccc(Cl)c(Cl)c3)NC2=O)cc1OC ZINC000035644893 520849662 /nfs/dbraw/zinc/84/96/62/520849662.db2.gz YMXROLUJIHRZTN-RQZCQDPDSA-N 0 0 423.321 5.292 40 30 HKEBRN Cc1ccc(/N=C2\NC(=O)/C(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)S2)cc1C ZINC000035646546 557802852 /nfs/dbraw/zinc/80/28/52/557802852.db2.gz KJXDXYGTYBNZKF-NDENLUEZSA-N 0 0 419.462 5.363 40 30 HKEBRN Cc1ccc(C)c(/N=C2/NC(=O)/C(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)S2)c1 ZINC000035646551 557802867 /nfs/dbraw/zinc/80/28/67/557802867.db2.gz MOBAUEHKXFYLTP-NDENLUEZSA-N 0 0 419.462 5.363 40 30 HKEBRN Cc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)S2)cc1C ZINC000035646670 557802721 /nfs/dbraw/zinc/80/27/21/557802721.db2.gz IEPPDFZBOGTEOS-NDENLUEZSA-N 0 0 419.462 5.363 40 30 HKEBRN Cc1ccc(C)c(/N=C2/NC(=O)/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)S2)c1 ZINC000035646675 557802862 /nfs/dbraw/zinc/80/28/62/557802862.db2.gz SFNUBTJTJJYKMV-NDENLUEZSA-N 0 0 419.462 5.363 40 30 HKEBRN Cc1ccc(C)c(/N=C2/NC(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)S2)c1 ZINC000035646795 557802844 /nfs/dbraw/zinc/80/28/44/557802844.db2.gz VOGDCWBUUGTKND-NDENLUEZSA-N 0 0 419.462 5.363 40 30 HKEBRN O=C1N/C(=N/c2cccc(Cl)c2Cl)S/C1=C\c1ccc(Br)o1 ZINC000035647043 557802794 /nfs/dbraw/zinc/80/27/94/557802794.db2.gz AISUTIQIZDRZBK-POHAHGRESA-N 0 0 418.099 5.241 40 30 HKEBRN O=C1N/C(=N/c2ccc(Cl)c(Cl)c2)S/C1=C/c1ccc(Cl)cc1Cl ZINC000035647488 557802839 /nfs/dbraw/zinc/80/28/39/557802839.db2.gz SWNZYECECPXGOU-LHHJGKSTSA-N 0 0 418.132 6.192 40 30 HKEBRN C=CCn1c(SCc2ccc(OC)c(OC)c2)nnc1-c1cccc(Cl)c1 ZINC000035682806 519242452 /nfs/dbraw/zinc/24/24/52/519242452.db2.gz QQFFEHXKGOKSBU-UHFFFAOYSA-N 0 0 401.919 5.094 40 30 HKEBRN Cc1ccc(/C(=N\c2ccccc2)NC(=S)N(Cc2ccccc2)C(C)C)cc1 ZINC000036293419 525941069 /nfs/dbraw/zinc/94/10/69/525941069.db2.gz YYJRTUURWJLHJC-UHFFFAOYSA-N 0 0 401.579 5.858 40 30 HKEBRN CC(C)CCC[C@@H](C)[C@@H]1CC[C@H]2[C@H]3CC[C@@H](CCC#N)[C@@](C)(CCC#N)[C@@H]3CC[C@]12C ZINC000036371216 557848938 /nfs/dbraw/zinc/84/89/38/557848938.db2.gz HEWXCDIWMWJHEW-YWUZJCJPSA-N 0 0 424.717 8.531 40 30 HKEBRN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3CC[C@@H](CCC#N)[C@@](C)(CCC#N)[C@@H]3CC[C@]12C ZINC000036371217 557848909 /nfs/dbraw/zinc/84/89/09/557848909.db2.gz HEWXCDIWMWJHEW-LZGZPNGRSA-N 0 0 424.717 8.531 40 30 HKEBRN CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@@H](CCC#N)[C@@](C)(CCC#N)[C@@H]3CC[C@@]21C ZINC000036371218 557848915 /nfs/dbraw/zinc/84/89/15/557848915.db2.gz HEWXCDIWMWJHEW-UUZSZYTCSA-N 0 0 424.717 8.531 40 30 HKEBRN CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@H]3CC[C@@H](CCC#N)[C@@](C)(CCC#N)[C@@H]3CC[C@]12C ZINC000036371219 557848935 /nfs/dbraw/zinc/84/89/35/557848935.db2.gz HEWXCDIWMWJHEW-UBYQUXONSA-N 0 0 424.717 8.531 40 30 HKEBRN Clc1ccc(O/N=C(\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000036378003 526957816 /nfs/dbraw/zinc/95/78/16/526957816.db2.gz WTLDJAQYAPHGFC-XQNSMLJCSA-N 0 0 415.107 5.980 40 30 HKEBRN CCOC(=O)c1ccc(C#Cc2ccc3c(c2)C(c2ccc(C)cc2)=CCC3(C)C)cc1 ZINC000036444293 521465750 /nfs/dbraw/zinc/46/57/50/521465750.db2.gz YQBZMGXOWNSVJL-UHFFFAOYSA-N 0 0 420.552 6.685 40 30 in-vitro HKEBRN Cc1cccc2c3nnc(N=NC[C@@H]4C[C@H]5C(=CCCC5(C)C)C[C@@H]4C)nc3[nH]c21 ZINC000036499826 524968808 /nfs/dbraw/zinc/96/88/08/524968808.db2.gz YNDSERMTSHYXKD-MQLVQPQLSA-N 0 0 402.546 5.621 40 30 HKEBRN COc1ccc(/C=C2\C[C@H]3[C@H]4CCc5cc(OC)ccc5[C@H]4CC[C@@]3(C)C2=O)cc1 ZINC000036611819 523419811 /nfs/dbraw/zinc/41/98/11/523419811.db2.gz JKKLUSGJEQWZSQ-IWQYWSLLSA-N 0 0 402.534 5.823 40 30 HKEBRN COc1ccc(/C=C2\C[C@H]3[C@H]4CCc5cc(OC)ccc5[C@H]4CC[C@]3(C)C2=O)cc1 ZINC000036611820 523419258 /nfs/dbraw/zinc/41/92/58/523419258.db2.gz JKKLUSGJEQWZSQ-CQXUBIKQSA-N 0 0 402.534 5.823 40 30 HKEBRN COc1ccc(/C=C2\C[C@H]3[C@H]4CCc5cc(OC)ccc5[C@@H]4CC[C@@]3(C)C2=O)cc1 ZINC000036611821 523418875 /nfs/dbraw/zinc/41/88/75/523418875.db2.gz JKKLUSGJEQWZSQ-IOOOOYSUSA-N 0 0 402.534 5.823 40 30 HKEBRN COc1ccc(/C=C2\C[C@H]3[C@H]4CCc5cc(OC)ccc5[C@@H]4CC[C@]3(C)C2=O)cc1 ZINC000036611822 523419671 /nfs/dbraw/zinc/41/96/71/523419671.db2.gz JKKLUSGJEQWZSQ-RIIVXTRYSA-N 0 0 402.534 5.823 40 30 HKEBRN COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)O[C@@H]3CC(C)(C)CC(=O)[C@@H]32)cc1Cl ZINC000036612593 525227417 /nfs/dbraw/zinc/22/74/17/525227417.db2.gz MDHKJVXFXCDIDI-GIVPXCGWSA-N 0 0 416.945 5.480 40 30 HKEBRN COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)O[C@H]3CC(C)(C)CC(=O)[C@H]23)cc1Cl ZINC000036612594 525225896 /nfs/dbraw/zinc/22/58/96/525225896.db2.gz MDHKJVXFXCDIDI-JBACZVJFSA-N 0 0 416.945 5.480 40 30 HKEBRN COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)O[C@@H]3CC(C)(C)CC(=O)[C@H]32)cc1Cl ZINC000036612595 525226193 /nfs/dbraw/zinc/22/61/93/525226193.db2.gz MDHKJVXFXCDIDI-HLAWJBBLSA-N 0 0 416.945 5.480 40 30 HKEBRN COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)O[C@H]3CC(C)(C)CC(=O)[C@@H]23)cc1Cl ZINC000036612596 525227198 /nfs/dbraw/zinc/22/71/98/525227198.db2.gz MDHKJVXFXCDIDI-SESVDKBCSA-N 0 0 416.945 5.480 40 30 HKEBRN CC(=O)N(c1ccc(C)cc1)c1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N ZINC000036612650 569206608 /nfs/dbraw/zinc/20/66/08/569206608.db2.gz WODQYECFMOZYFN-UHFFFAOYSA-N 0 0 403.485 6.280 40 30 HKEBRN COc1ccc(N(C(C)=O)c2nc(-c3ccccc3)cc(-c3ccccc3)c2C#N)cc1 ZINC000036612762 569206613 /nfs/dbraw/zinc/20/66/13/569206613.db2.gz GXHVVTOFPXNQID-UHFFFAOYSA-N 0 0 419.484 5.980 40 30 HKEBRN COc1ccc2c(c1)CC[C@@H]1[C@@H]3C/C(=C\c4ccc(Cl)cc4)C(=O)[C@]3(C)CC[C@H]21 ZINC000036614410 525532869 /nfs/dbraw/zinc/53/28/69/525532869.db2.gz HEISBLGPHCGBTI-LDDHGXPRSA-N 0 0 406.953 6.467 40 30 HKEBRN COc1ccc2c(c1)CC[C@@H]1[C@@H]3C/C(=C\c4ccc(Cl)cc4)C(=O)[C@@]3(C)CC[C@H]21 ZINC000036614411 525533528 /nfs/dbraw/zinc/53/35/28/525533528.db2.gz HEISBLGPHCGBTI-IPZCSDAYSA-N 0 0 406.953 6.467 40 30 HKEBRN COc1ccc2c(c1)CC[C@@H]1[C@@H]3C/C(=C\c4ccc(Cl)cc4)C(=O)[C@]3(C)CC[C@@H]21 ZINC000036614412 525533316 /nfs/dbraw/zinc/53/33/16/525533316.db2.gz HEISBLGPHCGBTI-NZNXFPTASA-N 0 0 406.953 6.467 40 30 HKEBRN COc1ccc2c(c1)CC[C@@H]1[C@@H]3C/C(=C\c4ccc(Cl)cc4)C(=O)[C@@]3(C)CC[C@@H]21 ZINC000036614413 525532915 /nfs/dbraw/zinc/53/29/15/525532915.db2.gz HEISBLGPHCGBTI-IHUJNQPGSA-N 0 0 406.953 6.467 40 30 HKEBRN COc1ccc2c(c1)CC[C@H]1[C@H]3C/C(=C\c4ccc(C(C)C)cc4)C(=O)[C@@]3(C)CC[C@@H]21 ZINC000036614424 525533573 /nfs/dbraw/zinc/53/35/73/525533573.db2.gz LYWNEJOPIMJYIT-YLXIFHIASA-N 0 0 414.589 6.937 40 30 HKEBRN COc1ccc2c(c1)CC[C@@H]1[C@H]3C/C(=C\c4ccc(C(C)C)cc4)C(=O)[C@@]3(C)CC[C@@H]21 ZINC000036614425 525533081 /nfs/dbraw/zinc/53/30/81/525533081.db2.gz LYWNEJOPIMJYIT-NISWSJAKSA-N 0 0 414.589 6.937 40 30 HKEBRN COc1ccc2c(c1)CC[C@@H]1[C@@H]3C/C(=C\c4ccc(C(C)C)cc4)C(=O)[C@@]3(C)CC[C@@H]21 ZINC000036614426 525533046 /nfs/dbraw/zinc/53/30/46/525533046.db2.gz LYWNEJOPIMJYIT-DGBHFGJASA-N 0 0 414.589 6.937 40 30 HKEBRN CCn1cc(/C=C2\C[C@H]3[C@@H]4CCc5cc(OC)ccc5[C@@H]4CC[C@]3(C)C2=O)c(C)n1 ZINC000036614428 523307079 /nfs/dbraw/zinc/30/70/79/523307079.db2.gz IATLNWYXDOFXTO-MSQPAMCTSA-N 0 0 404.554 5.339 40 30 HKEBRN CCn1cc(/C=C2\C[C@@H]3[C@H]4CCc5cc(OC)ccc5[C@@H]4CC[C@]3(C)C2=O)c(C)n1 ZINC000036614429 523307005 /nfs/dbraw/zinc/30/70/05/523307005.db2.gz IATLNWYXDOFXTO-NGPYGVLWSA-N 0 0 404.554 5.339 40 30 HKEBRN CCn1cc(/C=C2\C[C@H]3[C@H]4CCc5cc(OC)ccc5[C@@H]4CC[C@]3(C)C2=O)c(C)n1 ZINC000036614430 523307247 /nfs/dbraw/zinc/30/72/47/523307247.db2.gz IATLNWYXDOFXTO-PNKLTVKJSA-N 0 0 404.554 5.339 40 30 HKEBRN CCCn1nccc1/C=N/N=C1\CC[C@H]2[C@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]12C ZINC000036619586 521672406 /nfs/dbraw/zinc/67/24/06/521672406.db2.gz NTWGOOVKOLVKLF-DVMPOVQLSA-N 0 0 404.558 5.330 40 30 HKEBRN CCCn1nccc1/C=N/N=C1\CC[C@@H]2[C@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]12C ZINC000036619587 521672206 /nfs/dbraw/zinc/67/22/06/521672206.db2.gz NTWGOOVKOLVKLF-OCGBOYBUSA-N 0 0 404.558 5.330 40 30 HKEBRN CCCn1nccc1/C=N/N=C1\CC[C@H]2[C@H]3CCc4cc(O)ccc4[C@@H]3CC[C@@]12C ZINC000036619588 521672107 /nfs/dbraw/zinc/67/21/07/521672107.db2.gz NTWGOOVKOLVKLF-DBSHLPGZSA-N 0 0 404.558 5.330 40 30 HKEBRN CCCn1nccc1/C=N/N=C1\CC[C@@H]2[C@H]3CCc4cc(O)ccc4[C@@H]3CC[C@@]12C ZINC000036619589 521672183 /nfs/dbraw/zinc/67/21/83/521672183.db2.gz NTWGOOVKOLVKLF-BIEPANJSSA-N 0 0 404.558 5.330 40 30 HKEBRN CCCn1nccc1/C=C1\C[C@H]2[C@@H]3CCc4cc(OC)ccc4[C@@H]3CC[C@]2(C)C1=O ZINC000036619598 521672537 /nfs/dbraw/zinc/67/25/37/521672537.db2.gz JCOSBAWMYWWBFV-RNQQNZJUSA-N 0 0 404.554 5.420 40 30 HKEBRN CCCn1nccc1/C=C1\C[C@@H]2[C@H]3CCc4cc(OC)ccc4[C@@H]3CC[C@]2(C)C1=O ZINC000036619599 521672403 /nfs/dbraw/zinc/67/24/03/521672403.db2.gz JCOSBAWMYWWBFV-HPHSGVLCSA-N 0 0 404.554 5.420 40 30 HKEBRN CCCn1nccc1/C=C1\C[C@H]2[C@H]3CCc4cc(OC)ccc4[C@@H]3CC[C@]2(C)C1=O ZINC000036619600 521671917 /nfs/dbraw/zinc/67/19/17/521671917.db2.gz JCOSBAWMYWWBFV-NWYOMUFSSA-N 0 0 404.554 5.420 40 30 HKEBRN COc1cc(/C=N/N=C2\CC[C@H]3[C@H]4CCc5cc(O)ccc5[C@H]4CC[C@@]23C)ccc1O ZINC000036623999 521988276 /nfs/dbraw/zinc/98/82/76/521988276.db2.gz LWFIYCGPQQWUES-DZFTXKSVSA-N 0 0 418.537 5.438 40 30 HKEBRN COc1cc(/C=N/N=C2\CC[C@H]3[C@H]4CCc5cc(O)ccc5[C@@H]4CC[C@@]23C)ccc1O ZINC000036624003 521988112 /nfs/dbraw/zinc/98/81/12/521988112.db2.gz LWFIYCGPQQWUES-CWCGGEEQSA-N 0 0 418.537 5.438 40 30 HKEBRN N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SCC(=O)c1ccccn1 ZINC000036627035 569211187 /nfs/dbraw/zinc/21/11/87/569211187.db2.gz CZYDYQZKGNADRJ-UHFFFAOYSA-N 0 0 407.498 5.657 40 30 HKEBRN O=C1N=C(Nc2ccc(O)cc2)C(=CC(Cl)=Cc2ccc([N+](=O)[O-])cc2)S1 ZINC000036633751 527344718 /nfs/dbraw/zinc/34/47/18/527344718.db2.gz BMTWNNCFWYVLPP-MNXDUIDKSA-N 0 0 401.831 5.155 40 30 HKEBRN CC(C)CCC[C@H](C)[C@H]1CC[C@@H]2[C@H]3C[C@H]4O[C@]45C[C@@H](O)CC[C@]5(C)[C@@H]3CC[C@]12C ZINC000036649193 560082121 /nfs/dbraw/zinc/08/21/21/560082121.db2.gz PRYIJAGAEJZDBO-ZXCZRWHLSA-N 0 0 402.663 6.600 40 30 biogenic,in-vitro HKEBRN COc1cc(/C=N/OCc2ncc(-c3ccc(Cl)cc3)o2)ccc1OC(F)F ZINC000036757164 521998686 /nfs/dbraw/zinc/99/86/86/521998686.db2.gz XUEBOVHEABDPNB-PGGKNCGUSA-N 0 0 408.788 5.156 40 30 HKEBRN O=C1c2ccccc2C(=O)N1c1ccc(/N=C/c2cc(Cl)ccc2O)c(Cl)c1 ZINC000038162567 569362585 /nfs/dbraw/zinc/36/25/85/569362585.db2.gz COVXTUZVELKQRX-BHGWPJFGSA-N 0 0 411.244 5.250 40 30 HKEBRN c1ccc(N=C2Nc3ccccc3C2=C2c3ccccc3NC2=Nc2ccccc2)cc1 ZINC000038175440 526460542 /nfs/dbraw/zinc/46/05/42/526460542.db2.gz AFXSTDUJCLHWSC-OCEACIFDSA-N 0 0 412.496 6.909 40 30 HKEBRN O=[N+]([O-])c1ccccc1C=NNc1nc(-c2ccccc2Cl)nc2ccccc21 ZINC000038195885 527398016 /nfs/dbraw/zinc/39/80/16/527398016.db2.gz BISYORYDYANBMY-QRVIBDJDSA-N 0 0 403.829 5.304 40 30 HKEBRN COc1ccc(C(C)N=Nc2nc(-c3ccccc3Cl)nc3ccccc32)cc1 ZINC000038196043 523365349 /nfs/dbraw/zinc/36/53/49/523365349.db2.gz JGMJSHVKLYIUFA-DICXZTSXSA-N 0 0 402.885 5.795 40 30 HKEBRN C=CCN1C(=O)/C(=C\c2ccc(OCc3c(F)cccc3Cl)cc2)SC1=S ZINC000038201231 518831830 /nfs/dbraw/zinc/83/18/30/518831830.db2.gz CIIMKPUPIIYQPJ-WOJGMQOQSA-N 0 0 419.930 5.445 40 30 HKEBRN C=C[C@]1(OC(C)=O)CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000038558872 558655519 /nfs/dbraw/zinc/65/55/19/558655519.db2.gz LQJLWZKFQZZWGW-UZZVPUAOSA-N 0 0 402.575 5.449 40 30 HKEBRN C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C(CSc5ccccc5)C(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000038632911 525313648 /nfs/dbraw/zinc/31/36/48/525313648.db2.gz ZTHICPNHMULZDY-AYEIPMSGSA-N 0 0 424.650 6.432 40 30 in-vitro HKEBRN C=CCOc1ccc(NC(=O)c2ccc(OCCSc3ccccc3)cc2)cc1 ZINC000038755411 519038928 /nfs/dbraw/zinc/03/89/28/519038928.db2.gz CJGJGOHVKJRGAA-UHFFFAOYSA-N 0 0 405.519 5.675 40 30 HKEBRN C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C/C(=O)C2CC2)C[C@@H](O)C[C@@H]1O ZINC000038791621 569362579 /nfs/dbraw/zinc/36/25/79/569362579.db2.gz KKDBQSPKXAUHPH-NRCQPIEOSA-N 0 0 410.598 5.299 40 30 HKEBRN C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)CCC[C@@](C)(O)CO ZINC000038791732 569052367 /nfs/dbraw/zinc/05/23/67/569052367.db2.gz QOWCBCXATJITSI-IBLPRGGXSA-N 0 0 416.646 5.706 40 30 in-vitro HKEBRN CC(C)(C)[C@@H]1CCC(N=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H](Cc2ccccc2)C1 ZINC000038797052 518936012 /nfs/dbraw/zinc/93/60/12/518936012.db2.gz FCYJQKNNOIQDPN-TWAXNNGESA-N 0 0 424.501 5.976 40 30 HKEBRN CC(C)(C)[C@H]1CCC(N=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H](Cc2ccccc2)C1 ZINC000038797055 518971563 /nfs/dbraw/zinc/97/15/63/518971563.db2.gz FCYJQKNNOIQDPN-IGQVJXEMSA-N 0 0 424.501 5.976 40 30 HKEBRN CCCCC1=C(C)CC(N=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H](C)[C@H]1CCCC ZINC000038797060 519917033 /nfs/dbraw/zinc/91/70/33/519917033.db2.gz WNRAOAAOTUQJHI-WGICHRRSSA-N 0 0 416.522 6.624 40 30 HKEBRN C=C(F)CCCCCCCCC(=O)OCc1cc(Oc2ccccc2)ccc1F ZINC000039180833 518652644 /nfs/dbraw/zinc/65/26/44/518652644.db2.gz DBJTZXRBBKFRKD-UHFFFAOYSA-N 0 0 402.481 7.265 40 30 HKEBRN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1S[C@H]2c1cc([N+](=O)[O-])ccc1Cl ZINC000039921294 558686612 /nfs/dbraw/zinc/68/66/12/558686612.db2.gz WFNWNOFWWWTYDA-FQEVSTJZSA-N 0 0 414.914 6.150 40 30 HKEBRN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1S[C@@H]2c1cc([N+](=O)[O-])ccc1Cl ZINC000039921295 558686946 /nfs/dbraw/zinc/68/69/46/558686946.db2.gz WFNWNOFWWWTYDA-HXUWFJFHSA-N 0 0 414.914 6.150 40 30 HKEBRN C=C1/C(=C\C=C2\CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C/[C@H](C)C(C)C)C[C@@H](O)C[C@@H]1O ZINC000039953729 518657702 /nfs/dbraw/zinc/65/77/02/518657702.db2.gz HKXBNHCUPKIYDM-GEDKAAPRSA-N 0 0 412.658 6.612 40 30 HKEBRN N#Cc1c(N)n(-c2ccccc2Br)nc1-c1ccc(Cl)cc1Cl ZINC000039955317 560822095 /nfs/dbraw/zinc/82/20/95/560822095.db2.gz ZIZOMRXRIURWOP-UHFFFAOYSA-N 0 0 408.086 5.062 40 30 HKEBRN N#Cc1c(N)n(-c2cccc(Br)c2)nc1-c1ccc(Cl)cc1Cl ZINC000039955326 560822086 /nfs/dbraw/zinc/82/20/86/560822086.db2.gz SCSFLTWBKLPMFY-UHFFFAOYSA-N 0 0 408.086 5.062 40 30 HKEBRN C=C1CC[C@H](O)C/C1=C\C=C1/CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)/C=C/[C@H](C)C(C)(C)O ZINC000040164337 518665255 /nfs/dbraw/zinc/66/52/55/518665255.db2.gz KJKIIUAXZGLUND-ODPFGAGNSA-N 0 0 412.658 6.756 40 30 in-vivo HKEBRN Cc1c2c(nn1-c1ccccc1)[C@@H](c1ccc(C)cc1)N(c1ccccc1)C=CC2=O ZINC000040385413 525935497 /nfs/dbraw/zinc/93/54/97/525935497.db2.gz GZKWUEUJNQTFGL-HHHXNRCGSA-N 0 0 405.501 5.795 40 30 HKEBRN Cc1c2c(nn1-c1ccccc1)[C@H](c1ccc(C)cc1)N(c1ccccc1)C=CC2=O ZINC000040385416 525934846 /nfs/dbraw/zinc/93/48/46/525934846.db2.gz GZKWUEUJNQTFGL-MHZLTWQESA-N 0 0 405.501 5.795 40 30 HKEBRN C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@@H]2CC[C@H]3[C@H](C)CCCC(C)C)C[C@@H](O)C[C@@H]1O ZINC000040433779 518657395 /nfs/dbraw/zinc/65/73/95/518657395.db2.gz OFHCOWSQAMBJIW-UUSUJTSBSA-N 0 0 400.647 6.590 40 30 HKEBRN CC(=O)C1=C(C)OC(C)=C[C@]12Nc1cc(-c3ccccc3)cc(Br)c1O2 ZINC000040545942 519368364 /nfs/dbraw/zinc/36/83/64/519368364.db2.gz JWVGJEVPCKBOBW-OAQYLSRUSA-N 0 0 412.283 5.414 40 30 HKEBRN CC(=O)C1=C(C)OC(C)=C[C@@]12Nc1cc(-c3ccccc3)cc(Br)c1O2 ZINC000040545944 519367983 /nfs/dbraw/zinc/36/79/83/519367983.db2.gz JWVGJEVPCKBOBW-NRFANRHFSA-N 0 0 412.283 5.414 40 30 HKEBRN N#Cc1c2c(sc1NC(=O)CSc1ccnc3cc(Cl)ccc31)CCCC2 ZINC000041107862 526531913 /nfs/dbraw/zinc/53/19/13/526531913.db2.gz WDRFUXSWWJAJOW-UHFFFAOYSA-N 0 0 413.955 5.431 40 30 HKEBRN C=CCSc1nnc(-c2ccc(F)cc2)n1Cc1ccc(Br)cc1 ZINC000041124440 519082949 /nfs/dbraw/zinc/08/29/49/519082949.db2.gz GCPKTKBWOBAAAL-UHFFFAOYSA-N 0 0 404.308 5.173 40 30 HKEBRN C#CCOc1ccc(Br)cc1CNc1ccc(Br)cc1C ZINC000041635783 559153083 /nfs/dbraw/zinc/15/30/83/559153083.db2.gz NTSOYLKKAWWXEK-UHFFFAOYSA-N 0 0 409.121 5.144 40 30 HKEBRN CCCCCCCC/C=C/CCCCCCCC(=O)NCCc1ccc(O)c(O)c1 ZINC000043617342 558833706 /nfs/dbraw/zinc/83/37/06/558833706.db2.gz QQBPLXNESPTPNU-MDZDMXLPSA-N 0 0 417.634 6.794 40 30 HKEBRN CCCCCCCCCCCCCCCCCCNc1ccc(C(=O)OCC)cc1 ZINC000043705851 558834296 /nfs/dbraw/zinc/83/42/96/558834296.db2.gz OPXKELKVCZNZNP-UHFFFAOYSA-N 0 0 417.678 8.537 40 30 HKEBRN C=C(C)[C@@H]1CC[C@@]2(C)CC[C@@]3(C)[C@@H](CC[C@H]4[C@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]43C)[C@H]12 ZINC000043743184 518644717 /nfs/dbraw/zinc/64/47/17/518644717.db2.gz GRBHNQFQFHLCHO-AYVWMHEESA-N 0 0 424.713 8.233 40 30 HKEBRN CCn1c2ccccc2c2cc(/C=N\N(Cc3ccccc3)c3ccccc3)ccc21 ZINC000044712414 523274235 /nfs/dbraw/zinc/27/42/35/523274235.db2.gz RPHJRJPXKZMFFQ-BRPDVVIDSA-N 0 0 403.529 6.855 40 30 HKEBRN CCCCOc1ccc(C(=O)O/N=C(\c2cc3ccccc3o2)c2ccccc2)cc1 ZINC000045221807 520870872 /nfs/dbraw/zinc/87/08/72/520870872.db2.gz IGSBFQCVYYXXOA-RFBIWTDZSA-N 0 0 413.473 6.221 40 30 HKEBRN CCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CC(=O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000045789096 519959232 /nfs/dbraw/zinc/95/92/32/519959232.db2.gz MJJWFCLVIQKSSE-QJXQXWKHSA-N 0 0 414.586 5.580 40 30 in-vitro HKEBRN CCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3C[C@H](O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000045789099 519958626 /nfs/dbraw/zinc/95/86/26/519958626.db2.gz CJYZRMYXYMXOKS-AUDRSALESA-N 0 0 416.602 5.371 40 30 in-vitro HKEBRN CCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000045789102 519958911 /nfs/dbraw/zinc/95/89/11/519958911.db2.gz CJYZRMYXYMXOKS-RTBGAKBOSA-N 0 0 416.602 5.371 40 30 in-vitro HKEBRN Cc1ccc2cc(C=NNc3nc4ccc(C)cc4c(-c4ccccc4)n3)c(=O)[nH]c2c1 ZINC000046085281 526223892 /nfs/dbraw/zinc/22/38/92/526223892.db2.gz KGKLYCRXLYKTBC-JFLMPSFJSA-N 0 0 419.488 5.201 40 30 HKEBRN Clc1ccc(-c2nc(N=NCc3cccc4cccnc43)nc3ccccc32)cc1 ZINC000046085388 526933934 /nfs/dbraw/zinc/93/39/34/526933934.db2.gz GGZNCHZHLWJFCV-JFLMPSFJSA-N 0 0 409.880 5.944 40 30 HKEBRN Clc1ccc(-c2nc(N=NCc3ccc4ncccc4c3)nc3ccccc32)cc1 ZINC000046085393 526934667 /nfs/dbraw/zinc/93/46/67/526934667.db2.gz JKDXDDJTFLFNMH-JFLMPSFJSA-N 0 0 409.880 5.944 40 30 HKEBRN Clc1ccc(-c2nc(N=NCc3cccc4ncccc34)nc3ccccc32)cc1 ZINC000046085394 526933804 /nfs/dbraw/zinc/93/38/04/526933804.db2.gz TWUINKDWTNSEJT-JFLMPSFJSA-N 0 0 409.880 5.944 40 30 HKEBRN CN(C)c1ccc(CN=Nc2nc3ccccc3c(-c3ccc(Cl)cc3)n2)cc1 ZINC000046085396 522134259 /nfs/dbraw/zinc/13/42/59/522134259.db2.gz JANGGJOQBMWVOO-MFKUBSTISA-N 0 0 401.901 5.462 40 30 HKEBRN Clc1ccc(-c2nc(N=NCc3ccc4nccnc4c3)nc3ccccc32)cc1 ZINC000046085398 526934359 /nfs/dbraw/zinc/93/43/59/526934359.db2.gz OMNTUAIRBORBOP-MZJWZYIUSA-N 0 0 410.868 5.339 40 30 HKEBRN CN(C)c1ccc(CN=Nc2nc3ccc(Cl)cc3c(-c3ccccc3)n2)cc1 ZINC000046085409 522134969 /nfs/dbraw/zinc/13/49/69/522134969.db2.gz RHCHWGSVOSFWGK-MFKUBSTISA-N 0 0 401.901 5.462 40 30 HKEBRN C=C1CC[C@H](O)C/C1=C\C=C1/CCC[C@]2(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)(C)O)CC[C@H]12 ZINC000048056601 518665770 /nfs/dbraw/zinc/66/57/70/518665770.db2.gz KJKIIUAXZGLUND-HZYUFNTJSA-N 0 0 412.658 6.756 40 30 HKEBRN C=C1[C@@H]2CCC3=C4CC[C@H]([C@H](C)CC[C@@H](C)C(C)C)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC[C@@H]1O ZINC000049046290 571317706 /nfs/dbraw/zinc/31/77/06/571317706.db2.gz BDIHZBORJCSTHA-TYRJJJPYSA-N 0 0 412.702 7.945 40 30 HKEBRN CCC(C)N=Nc1nc2c(cc(I)cc2C(F)(F)F)s1 ZINC000057327436 569063663 /nfs/dbraw/zinc/06/36/63/569063663.db2.gz WYPVKSBHYFXBOW-FXBPXSCXSA-N 0 0 413.206 5.118 40 30 HKEBRN CCC(C)N=Nc1nc2c(s1)c(C(F)(F)F)c(Br)cc2Cl ZINC000057327655 569063658 /nfs/dbraw/zinc/06/36/58/569063658.db2.gz KGXWXEKYMSPHGJ-IPKBDRFQSA-N 0 0 400.651 5.929 40 30 HKEBRN Cc1ccc2nc(NC(=O)CSc3nc4cc(C)ccc4cc3C#N)sc2c1 ZINC000057775099 569383469 /nfs/dbraw/zinc/38/34/69/569383469.db2.gz DBCVUGUJZZJZNO-UHFFFAOYSA-N 0 0 404.520 5.064 40 30 HKEBRN Cc1ccc2nc(NC(=O)CSc3nc4ccc(C)cc4cc3C#N)sc2c1 ZINC000057775105 569383467 /nfs/dbraw/zinc/38/34/67/569383467.db2.gz KCJNPAWKCQRLQE-UHFFFAOYSA-N 0 0 404.520 5.064 40 30 HKEBRN Cc1ccc2nc(NC(=O)CSc3nc4c(C)cccc4cc3C#N)sc2c1 ZINC000057775113 569383557 /nfs/dbraw/zinc/38/35/57/569383557.db2.gz WLJNVZVVDIRHKZ-UHFFFAOYSA-N 0 0 404.520 5.064 40 30 HKEBRN COc1cc(C=NNc2ccccc2)ccc1OCc1ccc(Cl)cc1Cl ZINC000058823140 568699836 /nfs/dbraw/zinc/69/98/36/568699836.db2.gz INYCBVXJGDREMP-ZMOGYAJESA-N 0 0 401.293 6.027 40 30 HKEBRN COc1cc(C=NNc2ccccc2)ccc1OCc1ccc(Br)cc1 ZINC000058823334 568699684 /nfs/dbraw/zinc/69/96/84/568699684.db2.gz CJPCGHAWRBCGEZ-OEAKJJBVSA-N 0 0 411.299 5.483 40 30 HKEBRN COc1cc(C=NNc2ccccc2)cc(Br)c1OCc1ccccc1 ZINC000058823338 568699803 /nfs/dbraw/zinc/69/98/03/568699803.db2.gz RRPCPTJADGRVDC-OEAKJJBVSA-N 0 0 411.299 5.483 40 30 HKEBRN S=C(N/N=C/c1cccc(OCc2cccc3ccccc32)c1)Nc1ccccc1 ZINC000058823342 568699888 /nfs/dbraw/zinc/69/98/88/568699888.db2.gz NKNUPOBGEZEZHG-YZSQISJMSA-N 0 0 411.530 5.739 40 30 HKEBRN CCOc1cc(C=NNc2ccccc2)ccc1OCc1ccc(Cl)cc1Cl ZINC000058823399 568699903 /nfs/dbraw/zinc/69/99/03/568699903.db2.gz GJSRBLLTKAVBLO-AFUMVMLFSA-N 0 0 415.320 6.417 40 30 HKEBRN O=C(NCc1ccccc1)c1c(/N=C\c2ccc(Cl)cc2)sc2c1CCCC2 ZINC000058826825 568699910 /nfs/dbraw/zinc/69/99/10/568699910.db2.gz SYRLMZVQNCWEGL-YSMPRRRNSA-N 0 0 408.954 5.961 40 30 HKEBRN CN(C)c1ccc(/C=N\c2sc3c(c2C(=O)NCc2ccccc2)CCCC3)cc1 ZINC000058826844 568699690 /nfs/dbraw/zinc/69/96/90/568699690.db2.gz RHXCSURABHCNAK-PKAZHMFMSA-N 0 0 417.578 5.374 40 30 HKEBRN CC(C)c1ccc(/C=N\c2sc3c(c2C(=O)NCc2ccccc2)CCCC3)cc1 ZINC000058826874 568699914 /nfs/dbraw/zinc/69/99/14/568699914.db2.gz PBYLLTJINDCVCB-QRQIAZFYSA-N 0 0 416.590 6.431 40 30 HKEBRN N#CCOc1ccc([C@@H]2Nc3c(Cl)cc(Cl)c(Cl)c3[C@@H]3C=CC[C@@H]32)cc1 ZINC000058851389 568699229 /nfs/dbraw/zinc/69/92/29/568699229.db2.gz WIZJHSVTMZDZQL-TYILLQQXSA-N 0 0 405.712 6.376 40 30 HKEBRN Clc1ccc(COc2ccc(C=NN=c3[nH]c4ccccc4o3)cc2)c(Cl)c1 ZINC000059034397 568700052 /nfs/dbraw/zinc/70/00/52/568700052.db2.gz DCDRBTMCOUVGIN-WYMPLXKRSA-N 0 0 412.276 6.160 40 30 HKEBRN Cc1c(Br)c(C=C2C(=O)c3ccccc3C2=O)c(C)n1-c1ccccc1 ZINC000059104077 568700393 /nfs/dbraw/zinc/70/03/93/568700393.db2.gz KDKHNBZHCQHCBR-UHFFFAOYSA-N 0 0 406.279 5.319 40 30 HKEBRN C/N=C1/S/C(=C\c2c(OCc3cccc(C)c3)ccc3ccccc32)C(=O)N1C ZINC000059104080 568700283 /nfs/dbraw/zinc/70/02/83/568700283.db2.gz IGESYUIATSDPOQ-FRODBLILSA-N 0 0 402.519 5.259 40 30 HKEBRN Cc1ccc(Cl)cc1/N=C/c1cc(Br)c(I)o1 ZINC000059104123 568700309 /nfs/dbraw/zinc/70/03/09/568700309.db2.gz ALJIGZPAFGOQHG-OMCISZLKSA-N 0 0 424.463 5.359 40 30 HKEBRN Cc1c(Br)c(/C=N/c2ccc([N+](=O)[O-])cc2C)c(C)n1-c1ccccc1 ZINC000059104127 568700389 /nfs/dbraw/zinc/70/03/89/568700389.db2.gz ADDVEQQNUWWLQM-WSDLNYQXSA-N 0 0 412.287 5.824 40 30 HKEBRN CC/N=C1\S/C(=C\c2ccc(OCc3cccc4ccccc43)cc2)C(=O)N1CC ZINC000059104325 568700364 /nfs/dbraw/zinc/70/03/64/568700364.db2.gz GAGQEXXCQDMMJQ-JTUXUYRKSA-N 0 0 416.546 5.731 40 30 HKEBRN CSc1ccccc1/N=C/c1cc(Br)c(I)o1 ZINC000059104346 568700345 /nfs/dbraw/zinc/70/03/45/568700345.db2.gz HXVPVXNMSRKVMZ-VIZOYTHASA-N 0 0 422.085 5.119 40 30 HKEBRN Cc1c(Br)c(/C=N/c2cc(Cl)ccc2C)c(C)n1-c1ccccc1 ZINC000059104362 568700395 /nfs/dbraw/zinc/70/03/95/568700395.db2.gz ZNDCCASBGQSHFN-FSJBWODESA-N 0 0 401.735 6.569 40 30 HKEBRN CC/N=C1\S/C(=C\c2cc(Cl)c(O[C@H](C)CC)c(OCC)c2)C(=O)N1CC ZINC000059104393 568700368 /nfs/dbraw/zinc/70/03/68/568700368.db2.gz VOGFYIBAAPAIQZ-ATOAYSOUSA-N 0 0 410.967 5.228 40 30 HKEBRN CC/N=C1\S/C(=C\c2cc(Cl)c(O[C@@H](C)CC)c(OCC)c2)C(=O)N1CC ZINC000059104395 568700333 /nfs/dbraw/zinc/70/03/33/568700333.db2.gz VOGFYIBAAPAIQZ-YCTUGHIMSA-N 0 0 410.967 5.228 40 30 HKEBRN C/N=C1/S/C(=C\c2ccccc2OCc2ccc(Cl)c(Cl)c2)C(=O)N1C ZINC000059104403 568700266 /nfs/dbraw/zinc/70/02/66/568700266.db2.gz KFMZCEZWLZWOFR-BQDZKJHTSA-N 0 0 407.322 5.104 40 30 HKEBRN Brc1cc(/C=N/c2ccc(C3CCCCC3)cc2)oc1Br ZINC000059104433 568700201 /nfs/dbraw/zinc/70/02/01/568700201.db2.gz ZRTFMCNZSVFYRD-RGVLZGJSSA-N 0 0 411.137 6.603 40 30 HKEBRN C/N=C1/S/C(=C\c2cn(Cc3ccc4ccccc4c3)c3ccccc23)C(=O)N1C ZINC000059104451 568700192 /nfs/dbraw/zinc/70/01/92/568700192.db2.gz HSDGIHHWZFUDEI-JWLCOBFGSA-N 0 0 411.530 5.375 40 30 HKEBRN CCc1ccc(/N=C2\S/C(=C\c3cccnc3)C(=O)N2c2ccc(CC)cc2)cc1 ZINC000059104485 568700358 /nfs/dbraw/zinc/70/03/58/568700358.db2.gz SDOOEFNUTQGHEP-WOARFCOISA-N 0 0 413.546 6.015 40 30 HKEBRN CN(C)c1ccc(-n2cccc2/C=N/c2ccc(Br)c(Cl)c2)cc1 ZINC000059104530 568700181 /nfs/dbraw/zinc/70/01/81/568700181.db2.gz JFEPAKWAHMULET-LPYMAVHISA-N 0 0 402.723 5.710 40 30 HKEBRN C=CCc1cc(/C=C2\S/C(=N/C)N(C)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000059104544 568700386 /nfs/dbraw/zinc/70/03/86/568700386.db2.gz HPWSCGQOZIPESQ-HTEZIOAISA-N 0 0 412.942 5.179 40 30 HKEBRN CCN(CC)c1ccc(/N=C/c2c(Br)c(C)n(-c3ccccc3)c2C)cc1 ZINC000059104609 568700620 /nfs/dbraw/zinc/70/06/20/568700620.db2.gz MSIFOELFBJZFOC-PCLIKHOPSA-N 0 0 424.386 6.453 40 30 HKEBRN C/N=C1/S/C(=C\c2c(OCc3ccccc3Cl)ccc3ccccc32)C(=O)N1C ZINC000059104672 568700488 /nfs/dbraw/zinc/70/04/88/568700488.db2.gz MCRJGGHROMEIKC-IAUUDGPGSA-N 0 0 422.937 5.604 40 30 HKEBRN C/N=C1/S/C(=C\c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C(=O)N1C ZINC000059104756 568700479 /nfs/dbraw/zinc/70/04/79/568700479.db2.gz BUXRWQWDCSPDCA-TZUUXVJYSA-N 0 0 407.322 5.104 40 30 HKEBRN Brc1cc(/C=N/c2cccc(Br)c2)oc1Br ZINC000059104785 558931864 /nfs/dbraw/zinc/93/18/64/558931864.db2.gz BWTZJNXXJPQRPY-GIDUJCDVSA-N 0 0 407.887 5.318 40 30 HKEBRN CCc1cccc(C)c1-n1c(C)cc(/C=C2\S/C(=N/c3ccccc3)NC2=O)c1C ZINC000059104801 568700425 /nfs/dbraw/zinc/70/04/25/568700425.db2.gz YSTJERFUVJXFPQ-JCMHNJIXSA-N 0 0 415.562 5.857 40 30 HKEBRN O=[N+]([O-])c1cc(/N=C/c2cc(Br)c(Br)o2)ccc1Cl ZINC000059104836 568700554 /nfs/dbraw/zinc/70/05/54/568700554.db2.gz KINYPGHDVYBPRK-PJQLUOCWSA-N 0 0 408.433 5.117 40 30 HKEBRN COc1ccc(/N=C/c2c(C)n(-c3ccccc3)c(C)c2Br)cc1Cl ZINC000059104914 568700566 /nfs/dbraw/zinc/70/05/66/568700566.db2.gz WDAMUOQHEAMQFD-FSJBWODESA-N 0 0 417.734 6.269 40 30 HKEBRN CC/N=C1\S/C(=C\c2ccc(OCc3ccc4ccccc4c3)cc2)C(=O)N1CC ZINC000059105063 568700639 /nfs/dbraw/zinc/70/06/39/568700639.db2.gz ZQEOGAZDUDDCCC-JTUXUYRKSA-N 0 0 416.546 5.731 40 30 HKEBRN O=C1N/C(=N/c2ccc(F)cc2)S/C1=C/c1ccc(OCc2ccccc2)cc1 ZINC000059105696 568700523 /nfs/dbraw/zinc/70/05/23/568700523.db2.gz SYFVBDOWAMZGGE-KGENOOAVSA-N 0 0 404.466 5.296 40 30 HKEBRN Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\S/C(=N/c3ccc(F)cc3)NC2=O)o1 ZINC000059105707 568700561 /nfs/dbraw/zinc/70/05/61/568700561.db2.gz JLULODPQRNQNCK-ODLFYWEKSA-N 0 0 423.425 5.194 40 30 HKEBRN Cc1cc(/C=C2\S/C(=N/c3ccc(F)cc3)NC2=O)c(C)n1-c1ccc(C)cc1 ZINC000059105739 568700607 /nfs/dbraw/zinc/70/06/07/568700607.db2.gz USOQCSGTFUWRTA-BKUYFWCQSA-N 0 0 405.498 5.433 40 30 HKEBRN O=C1N/C(=N/c2ccc(F)cc2)S/C1=C/c1ccc(OCc2ccc(F)cc2)cc1 ZINC000059105749 568700666 /nfs/dbraw/zinc/70/06/66/568700666.db2.gz UYKPIDMCUXQGMF-FYJGNVAPSA-N 0 0 422.456 5.435 40 30 HKEBRN Cc1cc(/C=C2/S/C(=N/c3ccc(F)cc3)NC2=O)c(C)n1-c1ccc(C)c(C)c1 ZINC000059105762 568700594 /nfs/dbraw/zinc/70/05/94/568700594.db2.gz QNMRDKMRJHAKPA-LPYMAVHISA-N 0 0 419.525 5.742 40 30 HKEBRN Cc1cc(/C=C2/S/C(=N/c3ccc(F)cc3)NC2=O)c(C)n1-c1cc(C)cc(C)c1 ZINC000059105763 568700545 /nfs/dbraw/zinc/70/05/45/568700545.db2.gz TXYWJQRBQDSUJJ-LPYMAVHISA-N 0 0 419.525 5.742 40 30 HKEBRN Cc1cccc(COc2ccc(/C=C3/S/C(=N\c4ccc(F)cc4)NC3=O)cc2)c1 ZINC000059105769 568700460 /nfs/dbraw/zinc/70/04/60/568700460.db2.gz KHAJPVHGZNNTOF-HYARGMPZSA-N 0 0 418.493 5.605 40 30 HKEBRN O=C1N/C(=N/c2ccc(F)cc2)S/C1=C/c1ccc(OCc2cccc(F)c2)cc1 ZINC000059105791 568700664 /nfs/dbraw/zinc/70/06/64/568700664.db2.gz WQZRSIXHSUZEBI-FYJGNVAPSA-N 0 0 422.456 5.435 40 30 HKEBRN O=C1N/C(=N/c2ccc(F)cc2)S/C1=C/c1ccc(OCc2ccccc2F)cc1 ZINC000059105794 568700917 /nfs/dbraw/zinc/70/09/17/568700917.db2.gz JBPQFIBPVKRRBW-FYJGNVAPSA-N 0 0 422.456 5.435 40 30 HKEBRN Cc1cc(/C=C2/S/C(=N/c3ccc(F)cc3)NC2=O)c(C)n1-c1ccc(C)cc1C ZINC000059105802 568700757 /nfs/dbraw/zinc/70/07/57/568700757.db2.gz KHDFOVVIHQZRGQ-LPYMAVHISA-N 0 0 419.525 5.742 40 30 HKEBRN CCc1ccc(-n2c(C)cc(/C=C3\S/C(=N\c4ccc(F)cc4)NC3=O)c2C)cc1 ZINC000059105803 568700907 /nfs/dbraw/zinc/70/09/07/568700907.db2.gz ONLOFXWXKQJAQE-HMAPJEAMSA-N 0 0 419.525 5.687 40 30 HKEBRN CCOc1c(Cl)cc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)cc1Cl ZINC000059105862 568699986 /nfs/dbraw/zinc/69/99/86/568699986.db2.gz KMXSBAIESHCABC-OQLLNIDSSA-N 0 0 411.285 5.423 40 30 HKEBRN C#CCOc1c(Cl)cc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)cc1Cl ZINC000059105877 568700115 /nfs/dbraw/zinc/70/01/15/568700115.db2.gz MWINJXCJDKCGNJ-MHWRWJLKSA-N 0 0 421.280 5.036 40 30 HKEBRN Cc1cc(/C=C2/S/C(=N/c3ccc(F)cc3)NC2=O)c(C)n1-c1ccccc1F ZINC000059105947 568703893 /nfs/dbraw/zinc/70/38/93/568703893.db2.gz AGRRPFPWBOFADO-UDWIEESQSA-N 0 0 409.461 5.264 40 30 HKEBRN Cc1cc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)c(C)n1-c1cccc(F)c1 ZINC000059105948 568703744 /nfs/dbraw/zinc/70/37/44/568703744.db2.gz OOOIFEGSNMRFDC-RGVLZGJSSA-N 0 0 409.461 5.264 40 30 HKEBRN Cc1cc(/C=C2\S/C(=N\c3ccc(F)cc3)NC2=O)c(C)n1-c1ccc(F)cc1 ZINC000059105949 568703911 /nfs/dbraw/zinc/70/39/11/568703911.db2.gz GAWCESNKYPUKNO-NDENLUEZSA-N 0 0 409.461 5.264 40 30 HKEBRN Cc1ccc(-c2ccc(/C=C3/S/C(=N\c4ccc(F)cc4)NC3=O)o2)cc1[N+](=O)[O-] ZINC000059106018 568703848 /nfs/dbraw/zinc/70/38/48/568703848.db2.gz HICZVSPTWZDFTH-YBFXNURJSA-N 0 0 423.425 5.194 40 30 HKEBRN CC(=O)c1ccc(-c2ccc(C=C3SC(=Nc4ccc(F)cc4)NC3=O)o2)cc1 ZINC000059106020 568703761 /nfs/dbraw/zinc/70/37/61/568703761.db2.gz UJOMMZXYIGTBIS-UDWIEESQSA-N 0 0 406.438 5.180 40 30 HKEBRN CCOc1cc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)cc(Cl)c1OCC ZINC000059106032 568703748 /nfs/dbraw/zinc/70/37/48/568703748.db2.gz RPTBFRQAMWXJSH-GZTJUZNOSA-N 0 0 420.893 5.168 40 30 HKEBRN Cc1cc(/C=C2\S/C(=N/c3ccc(C)cc3)NC2=O)c(C)n1-c1ccc(F)cc1 ZINC000059137096 568701301 /nfs/dbraw/zinc/70/13/01/568701301.db2.gz YHXWPWMGSVAFLU-BKUYFWCQSA-N 0 0 405.498 5.433 40 30 HKEBRN Cc1cc(/C=C2\S/C(=N\c3cccc(C)c3)NC2=O)c(C)n1-c1ccc(F)cc1 ZINC000059137097 568701395 /nfs/dbraw/zinc/70/13/95/568701395.db2.gz TUFUFCQYVAPVPH-BKUYFWCQSA-N 0 0 405.498 5.433 40 30 HKEBRN Cc1cc(/C=C2\S/C(=N\c3ccc(C)c(C)c3)NC2=O)c(C)n1-c1ccc(F)cc1 ZINC000059137099 568701320 /nfs/dbraw/zinc/70/13/20/568701320.db2.gz SVMGPZQKWRJQLP-XKZIYDEJSA-N 0 0 419.525 5.742 40 30 HKEBRN Cc1cc(/C=C2\S/C(=N/c3ccccc3C)NC2=O)c(C)n1-c1ccc(F)cc1 ZINC000059137108 568701386 /nfs/dbraw/zinc/70/13/86/568701386.db2.gz SWXAOOPBPUIHMG-BKUYFWCQSA-N 0 0 405.498 5.433 40 30 HKEBRN Cc1cc(/C=C2\S/C(=N\c3cccc(C)c3C)NC2=O)c(C)n1-c1ccc(F)cc1 ZINC000059137113 568701491 /nfs/dbraw/zinc/70/14/91/568701491.db2.gz AXRUPLZGCVWAST-XKZIYDEJSA-N 0 0 419.525 5.742 40 30 HKEBRN Cc1cc(/C=C2\S/C(=N\c3ccc(C)cc3C)NC2=O)c(C)n1-c1ccc(F)cc1 ZINC000059137115 568701474 /nfs/dbraw/zinc/70/14/74/568701474.db2.gz WENQYUKDWUIFRO-XKZIYDEJSA-N 0 0 419.525 5.742 40 30 HKEBRN COc1ccc(/N=C2/NC(=O)/C(=C/c3cc(C)n(-c4ccc(F)cc4)c3C)S2)cc1 ZINC000059137117 568701431 /nfs/dbraw/zinc/70/14/31/568701431.db2.gz MAALPCJVNNYNMP-BKUYFWCQSA-N 0 0 421.497 5.133 40 30 HKEBRN CCc1ccc(/N=C2/NC(=O)/C(=C/c3cc(C)n(-c4ccc(F)cc4)c3C)S2)cc1 ZINC000059137129 568701471 /nfs/dbraw/zinc/70/14/71/568701471.db2.gz PAZLPVZYMPOISH-HMAPJEAMSA-N 0 0 419.525 5.687 40 30 HKEBRN CCc1ccc(/N=C2/NC(=O)/C(=C/c3cc(C)n(-c4cccc(F)c4)c3C)S2)cc1 ZINC000059137317 568701465 /nfs/dbraw/zinc/70/14/65/568701465.db2.gz KBPZBLNQKLSDAS-XKZIYDEJSA-N 0 0 419.525 5.687 40 30 HKEBRN Cc1ccc(Cl)cc1/N=C1\NC(=O)/C(=C/c2ccc(-c3ccc(F)cc3)o2)S1 ZINC000059137694 569352379 /nfs/dbraw/zinc/35/23/79/569352379.db2.gz LSIDMRVLCNKOOP-ODLFYWEKSA-N 0 0 412.873 5.939 40 30 HKEBRN Cc1c(Cl)cccc1/N=C1\NC(=O)/C(=C/c2ccc(-c3ccc(F)cc3)o2)S1 ZINC000059137697 568701390 /nfs/dbraw/zinc/70/13/90/568701390.db2.gz FSIDURDQSCOQDG-ODLFYWEKSA-N 0 0 412.873 5.939 40 30 HKEBRN Cc1ccc(/N=C2\NC(=O)/C(=C/c3ccc(Sc4ccc(C)cc4)o3)S2)cc1 ZINC000059137831 568701324 /nfs/dbraw/zinc/70/13/24/568701324.db2.gz PTJAKDKZDHCGJG-UYRXBGFRSA-N 0 0 406.532 5.939 40 30 HKEBRN Cc1ccc(Sc2ccc(/C=C3\S/C(=N/c4cccc(C)c4)NC3=O)o2)cc1 ZINC000059137832 568701278 /nfs/dbraw/zinc/70/12/78/568701278.db2.gz MTAOZWRPVNUADF-UYRXBGFRSA-N 0 0 406.532 5.939 40 30 HKEBRN Cc1ccc(Sc2ccc(/C=C3\S/C(=N/c4ccc(C)c(C)c4)NC3=O)o2)cc1 ZINC000059137833 568701306 /nfs/dbraw/zinc/70/13/06/568701306.db2.gz KGQBTBOKMJUVPA-MOSHPQCFSA-N 0 0 420.559 6.248 40 30 HKEBRN Cc1ccc(Sc2ccc(/C=C3\S/C(=N/c4cc(C)cc(C)c4)NC3=O)o2)cc1 ZINC000059137835 568701523 /nfs/dbraw/zinc/70/15/23/568701523.db2.gz CHEDMCVDTJYOJL-MOSHPQCFSA-N 0 0 420.559 6.248 40 30 HKEBRN Cc1ccc(Sc2ccc(/C=C3\S/C(=N\c4ccccc4C)NC3=O)o2)cc1 ZINC000059137846 568701327 /nfs/dbraw/zinc/70/13/27/568701327.db2.gz ATRTZEVDHNYHRK-UYRXBGFRSA-N 0 0 406.532 5.939 40 30 HKEBRN Cc1ccc(Sc2ccc(/C=C3\S/C(=N\c4cccc(C)c4C)NC3=O)o2)cc1 ZINC000059137848 568701480 /nfs/dbraw/zinc/70/14/80/568701480.db2.gz DXJOCMHLTUKCDO-MOSHPQCFSA-N 0 0 420.559 6.248 40 30 HKEBRN Cc1ccc(Sc2ccc(/C=C3\S/C(=N\c4ccc(C)cc4C)NC3=O)o2)cc1 ZINC000059137851 568701522 /nfs/dbraw/zinc/70/15/22/568701522.db2.gz XRXJNINHJMFOMT-MOSHPQCFSA-N 0 0 420.559 6.248 40 30 HKEBRN COc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(Sc4ccc(C)cc4)o3)S2)cc1 ZINC000059137853 568701462 /nfs/dbraw/zinc/70/14/62/568701462.db2.gz YXWGOAFFRCUOOM-UYRXBGFRSA-N 0 0 422.531 5.639 40 30 HKEBRN Cc1ccc(Sc2ccc(/C=C3\S/C(=N\c4ccc(F)cc4)NC3=O)o2)cc1 ZINC000059137860 568701469 /nfs/dbraw/zinc/70/14/69/568701469.db2.gz KUVYNJHUDYLKML-PDGQHHTCSA-N 0 0 410.495 5.770 40 30 HKEBRN CCc1ccc(/N=C2\NC(=O)/C(=C/c3ccc(Sc4ccc(C)cc4)o3)S2)cc1 ZINC000059137864 568701482 /nfs/dbraw/zinc/70/14/82/568701482.db2.gz IZUNGTNIUDIWBZ-ZHZULCJRSA-N 0 0 420.559 6.193 40 30 HKEBRN O=C1N/C(=N\c2ccc(Cl)c(Cl)c2)S/C1=C\c1ccc(N2CCCCC2)o1 ZINC000059138047 568701364 /nfs/dbraw/zinc/70/13/64/568701364.db2.gz NZDMNXOSJIUEBJ-WJDWOHSUSA-N 0 0 422.337 5.468 40 30 HKEBRN O=C1N/C(=N\c2ccc(Cl)c(Cl)c2)S/C1=C\c1ccc(N2CCCC2)o1 ZINC000059138448 568701517 /nfs/dbraw/zinc/70/15/17/568701517.db2.gz UMZFAXDEYXYXHV-GDNBJRDFSA-N 0 0 408.310 5.078 40 30 HKEBRN O=C1N/C(=N\c2ccccc2)S/C1=C\c1cc(Cl)ccc1OCc1ccccc1 ZINC000059145705 568701865 /nfs/dbraw/zinc/70/18/65/568701865.db2.gz BBLFOMAAASVWQC-STZFKDTASA-N 0 0 420.921 5.811 40 30 HKEBRN N#Cc1ccccc1COc1ccc(/C=C2\C(=O)Nc3cc(C(F)(F)F)ccc32)cc1 ZINC000059186113 568945507 /nfs/dbraw/zinc/94/55/07/568945507.db2.gz JXYYEWPTUFOECA-NHDPSOOVSA-N 0 0 420.390 5.649 40 30 HKEBRN O=C1CCCC2=C1C(c1cccc(OCc3ccc(F)cc3)c1)C1=C(CCCC1=O)N2 ZINC000059193517 568702564 /nfs/dbraw/zinc/70/25/64/568702564.db2.gz AXHATESSJMZTKY-UHFFFAOYSA-N 0 0 417.480 5.106 40 30 HKEBRN Clc1ccc(-c2csc(N=NCc3c(Cl)cccc3Cl)n2)c(Cl)c1 ZINC000059193704 571310438 /nfs/dbraw/zinc/31/04/38/571310438.db2.gz JYBSAPAALLCTJP-QPSGOUHRSA-N 0 0 417.148 6.870 40 30 HKEBRN CCCCOc1ccc(CN=Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 ZINC000059193717 568702567 /nfs/dbraw/zinc/70/25/67/568702567.db2.gz HQUNUEFIJDPJQY-FSJBWODESA-N 0 0 420.365 6.742 40 30 HKEBRN FC(F)(F)c1ccccc1CN=Nc1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000059193767 568702434 /nfs/dbraw/zinc/70/24/34/568702434.db2.gz IUSBNOWVGMHFMB-LIMNOBDPSA-N 0 0 416.255 6.582 40 30 HKEBRN Cc1sc(N=NCc2ccc(OCc3ccccc3F)cc2)nc1-c1ccccc1 ZINC000059193785 571310455 /nfs/dbraw/zinc/31/04/55/571310455.db2.gz KCFZCCZJVXBMIJ-CVKSISIWSA-N 0 0 417.509 6.283 40 30 HKEBRN Cc1sc(N=NCc2ccc(OC(=O)c3ccccc3)cc2)nc1-c1ccccc1 ZINC000059193849 571310528 /nfs/dbraw/zinc/31/05/28/571310528.db2.gz RJFFRPSQUXDDQQ-PCLIKHOPSA-N 0 0 413.502 5.784 40 30 HKEBRN Cc1sc(N=NCc2ccc(OCc3ccc(C)cc3)cc2)nc1-c1ccccc1 ZINC000059193896 571310435 /nfs/dbraw/zinc/31/04/35/571310435.db2.gz QPLJYJWUXRTLAK-WGOQTCKBSA-N 0 0 413.546 6.452 40 30 HKEBRN Cc1sc(N=NCc2ccc(OCc3ccc(F)cc3)cc2)nc1-c1ccccc1 ZINC000059193899 571310454 /nfs/dbraw/zinc/31/04/54/571310454.db2.gz MLRFUZFUBPADJZ-CVKSISIWSA-N 0 0 417.509 6.283 40 30 HKEBRN O=C(Oc1ccc(C=NNc2nc3ccccc3s2)cc1)c1ccccc1Cl ZINC000059194415 568702558 /nfs/dbraw/zinc/70/25/58/568702558.db2.gz XNOMFGRRTUNSDH-YDZHTSKRSA-N 0 0 407.882 5.615 40 30 HKEBRN COc1cc(C=NNc2nc3ccccc3s2)ccc1OC(=O)c1ccc(F)cc1 ZINC000059194424 568702359 /nfs/dbraw/zinc/70/23/59/568702359.db2.gz STYZISBHRBPWRZ-ZMOGYAJESA-N 0 0 421.453 5.109 40 30 HKEBRN O=C(Oc1ccc(C=NNc2nc3ccccc3s2)cc1)c1cccc(Cl)c1 ZINC000059194447 568702526 /nfs/dbraw/zinc/70/25/26/568702526.db2.gz CTHXIRDMDBFKSX-YDZHTSKRSA-N 0 0 407.882 5.615 40 30 HKEBRN COc1cc(C=NNc2nc3ccccc3s2)ccc1OC(=O)c1ccc(C)cc1 ZINC000059194464 568702340 /nfs/dbraw/zinc/70/23/40/568702340.db2.gz VBAMVVOOJNMTOA-ZVHZXABRSA-N 0 0 417.490 5.279 40 30 HKEBRN COc1cc(C=NNc2nc3ccccc3s2)ccc1OC(=O)c1cccc(C)c1 ZINC000059194467 568702350 /nfs/dbraw/zinc/70/23/50/568702350.db2.gz PGMUDGNMVDHCAA-ZVHZXABRSA-N 0 0 417.490 5.279 40 30 HKEBRN O=C(Oc1ccccc1C=NN=c1[nH]c2ccccc2s1)c1ccc(Cl)cc1 ZINC000059194473 568702553 /nfs/dbraw/zinc/70/25/53/568702553.db2.gz VGCBNMMSLCXLAE-YDZHTSKRSA-N 0 0 407.882 5.615 40 30 HKEBRN COc1cc(C=NNc2nc3ccccc3s2)ccc1OC(=O)c1ccccc1C ZINC000059194500 568702482 /nfs/dbraw/zinc/70/24/82/568702482.db2.gz RLEWMGZJWRGYRL-ZVHZXABRSA-N 0 0 417.490 5.279 40 30 HKEBRN Fc1cccc(Cl)c1COc1ccc(C=NNc2nc3ccccc3s2)cc1 ZINC000059194505 568702406 /nfs/dbraw/zinc/70/24/06/568702406.db2.gz CGXKCPGTLRJWLG-WYMPLXKRSA-N 0 0 411.889 6.114 40 30 HKEBRN COc1cc(C=NNc2nc3ccccc3s2)ccc1OCc1cccc(C)c1 ZINC000059194513 568702312 /nfs/dbraw/zinc/70/23/12/568702312.db2.gz CEMHAXRZURNJNU-ZVHZXABRSA-N 0 0 403.507 5.638 40 30 HKEBRN CCOc1cc(C=NNc2nc3ccccc3s2)ccc1OCc1cccc(C)c1 ZINC000059194516 568702510 /nfs/dbraw/zinc/70/25/10/568702510.db2.gz GBTOPZDPJUWADO-MFKUBSTISA-N 0 0 417.534 6.028 40 30 HKEBRN CC(N=Nc1nc(-c2ccc(Cl)cc2Cl)cs1)c1ccc([N+](=O)[O-])cc1 ZINC000059195410 571304460 /nfs/dbraw/zinc/30/44/60/571304460.db2.gz IFEFJTAOEAHSEM-UFFVCSGVSA-N 0 0 407.282 5.861 40 30 HKEBRN C=CCOc1ccccc1/C=N/c1sc2c(c1C(=O)Nc1ccccc1)CCCC2 ZINC000059198962 568702499 /nfs/dbraw/zinc/70/24/99/568702499.db2.gz ZNMIVZAOBNAEOF-YZSQISJMSA-N 0 0 416.546 6.195 40 30 HKEBRN O=[N+]([O-])c1ccc(N=NCc2ccc(-c3ccccc3C(F)(F)F)o2)c([N+](=O)[O-])c1 ZINC000059219754 568702711 /nfs/dbraw/zinc/70/27/11/568702711.db2.gz PUABMHVFWHPZSR-LSHDLFTRSA-N 0 0 420.303 5.228 40 30 HKEBRN O=C1N/C(=N/c2ccccc2)S/C1=C\c1ccc(-c2ccccc2C(F)(F)F)o1 ZINC000059220140 568702657 /nfs/dbraw/zinc/70/26/57/568702657.db2.gz OTTBOHOBEMNCKS-PDGQHHTCSA-N 0 0 414.408 5.857 40 30 HKEBRN Cc1ccc(/N=C2\NC(=O)/C(=C\c3ccc(OCc4ccccc4)cc3)S2)cc1C ZINC000059223892 568702703 /nfs/dbraw/zinc/70/27/03/568702703.db2.gz DCOVGTROWYCWSH-HZHRSRAPSA-N 0 0 414.530 5.774 40 30 HKEBRN Cc1ccc(/N=C2/NC(=O)/C(=C\c3cccc(OCc4ccccc4)c3)S2)cc1C ZINC000059223895 568702848 /nfs/dbraw/zinc/70/28/48/568702848.db2.gz NRVUCOBBYJZEDP-HZHRSRAPSA-N 0 0 414.530 5.774 40 30 HKEBRN C#CCOc1ccc2ccccc2c1/C=C1\S/C(=N/c2ccc(C)c(C)c2)NC1=O ZINC000059224057 568702845 /nfs/dbraw/zinc/70/28/45/568702845.db2.gz GJVFOPXDDSOYKR-HAHDFKILSA-N 0 0 412.514 5.360 40 30 HKEBRN Cc1ccc(Cl)cc1/N=C1\NC(=O)/C(=C/c2cc(Br)ccc2O)S1 ZINC000059224166 568702789 /nfs/dbraw/zinc/70/27/89/568702789.db2.gz OPHBYPRTSZAWLB-CHHVJCJISA-N 0 0 423.719 5.008 40 30 HKEBRN C=CCOc1ccc(/C=C2\S/C(=N/c3cc(Cl)ccc3C)NC2=O)cc1OC ZINC000059224231 568702675 /nfs/dbraw/zinc/70/26/75/568702675.db2.gz PTVZOZQDKGDCNA-ODLFYWEKSA-N 0 0 414.914 5.113 40 30 HKEBRN Cc1ccc(Cl)cc1/N=C1\NC(=O)/C(=C/c2ccc(O)c(Br)c2)S1 ZINC000059224276 568702835 /nfs/dbraw/zinc/70/28/35/568702835.db2.gz USWRWFVMZCEQEG-CHHVJCJISA-N 0 0 423.719 5.008 40 30 HKEBRN COc1ccc2ccccc2c1/C=C1\S/C(=N/c2cc(Cl)ccc2C)NC1=O ZINC000059224279 568702623 /nfs/dbraw/zinc/70/26/23/568702623.db2.gz LLAHALRAMGNSSW-NDENLUEZSA-N 0 0 408.910 5.702 40 30 HKEBRN Cc1ccc(Cl)cc1/N=C1\NC(=O)/C(=C/c2ccc(Br)cc2)S1 ZINC000059224281 568702618 /nfs/dbraw/zinc/70/26/18/568702618.db2.gz KGRHZKYQASRUCA-NVNXTCNLSA-N 0 0 407.720 5.303 40 30 HKEBRN CCOc1ccc2ccccc2c1/C=C1\S/C(=N/c2cc(Cl)ccc2C)NC1=O ZINC000059224372 568702608 /nfs/dbraw/zinc/70/26/08/568702608.db2.gz VVPGZAJENOOSSL-BKUYFWCQSA-N 0 0 422.937 6.092 40 30 HKEBRN Cc1ccc(Cl)cc1/N=C1\NC(=O)/C(=C/c2ccc(N3CCCC3)cc2C)S1 ZINC000059224421 568702615 /nfs/dbraw/zinc/70/26/15/568702615.db2.gz SKZOLPAWNSRXND-NDENLUEZSA-N 0 0 411.958 5.449 40 30 HKEBRN Cc1ccc(Cl)cc1/N=C1\NC(=O)/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)S1 ZINC000059224422 568702747 /nfs/dbraw/zinc/70/27/47/568702747.db2.gz QWRHEYMNXVPCKQ-CHHVJCJISA-N 0 0 408.266 5.102 40 30 HKEBRN Cc1cccc(/N=C2\NC(=O)/C(=C/c3cccn3-c3ccc(Cl)cc3)S2)c1C ZINC000059247889 568703194 /nfs/dbraw/zinc/70/31/94/568703194.db2.gz CQGCWZUPEMXDPV-MOSHPQCFSA-N 0 0 407.926 5.639 40 30 HKEBRN O=C1N/C(=N/c2cccc(Cl)c2Cl)S/C1=C\c1cccn1-c1ccccc1 ZINC000059247895 558932665 /nfs/dbraw/zinc/93/26/65/558932665.db2.gz UERXOOIYAKHTGD-ATVHPVEESA-N 0 0 414.317 5.676 40 30 HKEBRN O=C1N/C(=N\c2ccc(Cl)c(Cl)c2)S/C1=C\c1cccn1-c1ccccc1 ZINC000059248020 568703143 /nfs/dbraw/zinc/70/31/43/568703143.db2.gz BLVVQBXWRRKMDK-PDGQHHTCSA-N 0 0 414.317 5.676 40 30 HKEBRN Clc1ccc(-n2cccc2/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1 ZINC000059248065 568703150 /nfs/dbraw/zinc/70/31/50/568703150.db2.gz BBQAYDOOTPFAFA-RDRPBHBLSA-N 0 0 414.980 7.349 40 30 HKEBRN Fc1cccc(/N=C/c2cc(Br)c(Sc3ccc(Cl)cc3)o2)c1 ZINC000059248140 568703186 /nfs/dbraw/zinc/70/31/86/568703186.db2.gz CHRVPMBYNITZPI-UFFVCSGVSA-N 0 0 410.695 6.736 40 30 HKEBRN Brc1ccc(-n2cccc2/C=N/c2cccc(Br)c2)cc1 ZINC000059248187 568703203 /nfs/dbraw/zinc/70/32/03/568703203.db2.gz IYIOXBJTUBUQKM-UDWIEESQSA-N 0 0 404.105 5.753 40 30 HKEBRN Cc1ccc(/N=C/c2cc(Br)c(Sc3ccc(Cl)cc3)o2)cc1 ZINC000059248267 568703154 /nfs/dbraw/zinc/70/31/54/568703154.db2.gz FQTSBHZVRRRBAF-SRZZPIQSSA-N 0 0 406.732 6.906 40 30 HKEBRN Oc1ccc(/N=C/c2cc(Br)c(Sc3ccc(Cl)cc3)o2)cc1 ZINC000059248301 568703146 /nfs/dbraw/zinc/70/31/46/568703146.db2.gz KRRWUWIYPMVBSB-KEBDBYFISA-N 0 0 408.704 6.303 40 30 HKEBRN Brc1cc(/C=N/c2ccc(C3CCCCC3)cc2)oc1N1CCOCC1 ZINC000059248463 568703195 /nfs/dbraw/zinc/70/31/95/568703195.db2.gz NBJIMSBUQRNGCH-HZHRSRAPSA-N 0 0 417.347 5.677 40 30 HKEBRN Brc1ccc(-n2cccc2/C=N/c2ccc(-c3ccccc3)cc2)cc1 ZINC000059248810 568703163 /nfs/dbraw/zinc/70/31/63/568703163.db2.gz ZCIGVFRDMFDWHC-KOEQRZSOSA-N 0 0 401.307 6.657 40 30 HKEBRN Brc1cc(/C=N/c2ccc(Nc3ccccc3)cc2)oc1N1CCCC1 ZINC000059248950 568703212 /nfs/dbraw/zinc/70/32/12/568703212.db2.gz RVCINDZTGPYYOV-HZHRSRAPSA-N 0 0 410.315 6.137 40 30 HKEBRN C=CCc1cc(/C=C2\S/C(=N/c3cccc(C)c3C)NC2=O)cc(OCC)c1O ZINC000059249092 568703192 /nfs/dbraw/zinc/70/31/92/568703192.db2.gz GTTIZTOCWRTZBM-MOSHPQCFSA-N 0 0 408.523 5.028 40 30 HKEBRN Cc1ccc(/N=C2/NC(=O)/C(=C/c3cccn3-c3ccc(Cl)cc3)S2)c(C)c1 ZINC000059249119 568703226 /nfs/dbraw/zinc/70/32/26/568703226.db2.gz LENYAUNBJVYQJU-MOSHPQCFSA-N 0 0 407.926 5.639 40 30 HKEBRN CCc1ccc(/N=C/c2cc(Br)c(Sc3ccc(Cl)cc3)o2)cc1 ZINC000059249308 568703477 /nfs/dbraw/zinc/70/34/77/568703477.db2.gz QBYGYCPYTUTGEX-WSDLNYQXSA-N 0 0 420.759 7.160 40 30 HKEBRN N#Cc1ccc(/N=C/c2cc(Br)c(Sc3ccc(Cl)cc3)o2)cc1 ZINC000059249497 568703372 /nfs/dbraw/zinc/70/33/72/568703372.db2.gz KWCIVZVZZZEBFH-SSDVNMTOSA-N 0 0 417.715 6.469 40 30 HKEBRN Fc1ccc(/N=C/c2cc(Br)c(Sc3ccc(Cl)cc3)o2)cc1 ZINC000059249533 568703461 /nfs/dbraw/zinc/70/34/61/568703461.db2.gz FXZITQWPZKSSRW-UFFVCSGVSA-N 0 0 410.695 6.736 40 30 HKEBRN COc1ccccc1/N=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1 ZINC000059249635 568703442 /nfs/dbraw/zinc/70/34/42/568703442.db2.gz QFDKRZGTUQNGJQ-SRZZPIQSSA-N 0 0 422.731 6.606 40 30 HKEBRN Brc1ccc(-n2cccc2/C=N/c2ccc(C3CCCCC3)cc2)cc1 ZINC000059249764 568703459 /nfs/dbraw/zinc/70/34/59/568703459.db2.gz LMGPCVMDOLKRGQ-KOEQRZSOSA-N 0 0 407.355 7.038 40 30 HKEBRN Cc1cc(/N=C/c2cc(Br)c(Sc3ccc(Cl)cc3)o2)ccc1F ZINC000059250015 568703450 /nfs/dbraw/zinc/70/34/50/568703450.db2.gz HGWZXRJCBRIGFZ-LSHDLFTRSA-N 0 0 424.722 7.045 40 30 HKEBRN Cc1ccc(/N=C2\NC(=O)/C(=C/c3cccn3-c3ccc(Cl)cc3)S2)cc1C ZINC000059250150 568703445 /nfs/dbraw/zinc/70/34/45/568703445.db2.gz YUTSRYMOOZMNHH-MOSHPQCFSA-N 0 0 407.926 5.639 40 30 HKEBRN CCOc1ccc(/N=C2\NC(=O)/C(=C/c3cccn3-c3ccc(Cl)cc3)S2)cc1 ZINC000059250257 568703485 /nfs/dbraw/zinc/70/34/85/568703485.db2.gz BYFWCFJPZONWPU-ZHZULCJRSA-N 0 0 423.925 5.421 40 30 HKEBRN COC(=O)c1ccc(/N=C/c2cccn2-c2ccc(Br)cc2)cc1Cl ZINC000059250344 568703353 /nfs/dbraw/zinc/70/33/53/568703353.db2.gz DWMSKMCKXMMYMC-WSDLNYQXSA-N 0 0 417.690 5.430 40 30 HKEBRN Cc1cc(C)cc(/N=C2\NC(=O)/C(=C/c3cccn3-c3ccc(Cl)cc3)S2)c1 ZINC000059250402 568703409 /nfs/dbraw/zinc/70/34/09/568703409.db2.gz OEHZSTKEBPNDRM-MOSHPQCFSA-N 0 0 407.926 5.639 40 30 HKEBRN Cc1c(/C=C2/S/C(=N\c3ccc(Cl)c(Cl)c3)NC2=O)c2ccccc2n1C ZINC000059250444 568703382 /nfs/dbraw/zinc/70/33/82/568703382.db2.gz OJDJDCDZTWGVHU-VCHYOVAHSA-N 0 0 416.333 5.685 40 30 HKEBRN Brc1cc(/C=N/N(c2ccccc2)c2ccccc2)oc1N1CCCC1 ZINC000059302231 568705214 /nfs/dbraw/zinc/70/52/14/568705214.db2.gz CODZJGFYJIOLQR-XQNSMLJCSA-N 0 0 410.315 5.815 40 30 HKEBRN COC(=O)c1ccc(Cl)c(/N=C/c2cccn2-c2ccc(Br)cc2)c1 ZINC000059302270 568705032 /nfs/dbraw/zinc/70/50/32/568705032.db2.gz CCJXSFJWYJVFAL-WSDLNYQXSA-N 0 0 417.690 5.430 40 30 HKEBRN CCCCOC(=O)c1ccc(/N=C/c2cc(Br)c(N3CCCC3)o2)cc1 ZINC000059302520 568705161 /nfs/dbraw/zinc/70/51/61/568705161.db2.gz LJXMQTAMGNDCHH-HYARGMPZSA-N 0 0 419.319 5.350 40 30 HKEBRN C=CCc1cc(/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc(OCC)c1O ZINC000059302624 568705094 /nfs/dbraw/zinc/70/50/94/568705094.db2.gz VLQBFOHADRSWHL-RDRPBHBLSA-N 0 0 415.577 6.738 40 30 HKEBRN Cc1cc(/N=C/c2cc(Br)c(N3CCCC3)o2)ccc1Br ZINC000059302641 568705051 /nfs/dbraw/zinc/70/50/51/568705051.db2.gz LDBOFZXONCWREI-VXLYETTFSA-N 0 0 412.125 5.464 40 30 HKEBRN Cc1cc(/N=C/c2cccn2-c2ccc(Br)cc2)ccc1Br ZINC000059302698 568705142 /nfs/dbraw/zinc/70/51/42/568705142.db2.gz KBNWXMUCIIJDFK-CIAFOILYSA-N 0 0 418.132 6.061 40 30 HKEBRN Cc1ccc(/N=C/c2cc(Br)c(Sc3ccc(Cl)cc3)o2)cc1C ZINC000059302726 568705165 /nfs/dbraw/zinc/70/51/65/568705165.db2.gz ZSOOFTGUTQIUCB-SSDVNMTOSA-N 0 0 420.759 7.214 40 30 HKEBRN O=C1N/C(=N\c2cccc(Cl)c2)S/C1=C\c1cccn1-c1ccc(Cl)cc1 ZINC000059302980 568705117 /nfs/dbraw/zinc/70/51/17/568705117.db2.gz AFMYFPQJGBREDX-PDGQHHTCSA-N 0 0 414.317 5.676 40 30 HKEBRN C=CCc1cc(/C=N/c2ccc(Oc3ccc(OC)cc3)cc2)cc(OCC)c1O ZINC000059302995 568705192 /nfs/dbraw/zinc/70/51/92/568705192.db2.gz CGHVSLLYQKGWKI-YZSQISJMSA-N 0 0 403.478 6.071 40 30 HKEBRN COc1cccc(/N=C/c2cc(Br)c(Sc3ccc(Cl)cc3)o2)c1 ZINC000059303055 568705225 /nfs/dbraw/zinc/70/52/25/568705225.db2.gz QNDAXWUREYMYSM-SRZZPIQSSA-N 0 0 422.731 6.606 40 30 HKEBRN Brc1ccc(/N=C/c2cccn2-c2ccc(Br)cc2)cc1 ZINC000059303077 568705101 /nfs/dbraw/zinc/70/51/01/568705101.db2.gz UZRSWRPWSHTYQN-UDWIEESQSA-N 0 0 404.105 5.753 40 30 HKEBRN Brc1cc(/C=N/c2ccc(-c3ccccc3)cc2)oc1N1CCOCC1 ZINC000059303327 568705169 /nfs/dbraw/zinc/70/51/69/568705169.db2.gz RNPPNEHWGCEMMQ-HZHRSRAPSA-N 0 0 411.299 5.296 40 30 HKEBRN S=C(N/N=C/c1ccc(OCc2cccc3ccccc32)cc1)Nc1ccccc1 ZINC000059381850 526382599 /nfs/dbraw/zinc/38/25/99/526382599.db2.gz YUFMXUJGJGVJCK-YZSQISJMSA-N 0 0 411.530 5.739 40 30 HKEBRN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1c(O)ccc2ccccc21 ZINC000059387308 568705502 /nfs/dbraw/zinc/70/55/02/568705502.db2.gz XJBYKULUHPHLRO-UHFFFAOYSA-N 0 0 415.533 5.519 40 30 HKEBRN O=C1ON=C(c2ccccc2)/C1=C/c1c(OCc2ccccc2)ccc2ccccc21 ZINC000059387323 568705494 /nfs/dbraw/zinc/70/54/94/568705494.db2.gz BOJRBBABRAMJFX-ULJHMMPZSA-N 0 0 405.453 5.763 40 30 HKEBRN Clc1ccc(COc2ccc(CN=Nc3nc(-c4ccccc4)cs3)cc2)cc1 ZINC000059387341 568705491 /nfs/dbraw/zinc/70/54/91/568705491.db2.gz MBPNNHYLWWYRHY-AFUMVMLFSA-N 0 0 419.937 6.489 40 30 HKEBRN Cc1cccc(C(=O)Oc2ccc(CN=Nc3nc(-c4ccccc4)cs3)cc2)c1 ZINC000059387349 568705485 /nfs/dbraw/zinc/70/54/85/568705485.db2.gz DXWXDDMKVLZYDX-MFKUBSTISA-N 0 0 413.502 5.784 40 30 HKEBRN Clc1ccc(-c2csc(N=NCc3ccccc3OCc3ccccc3)n2)cc1 ZINC000059387397 568705466 /nfs/dbraw/zinc/70/54/66/568705466.db2.gz TUFPBKQEBKYUDO-AFUMVMLFSA-N 0 0 419.937 6.489 40 30 HKEBRN Clc1ccc(-c2csc(N=NCc3ccc(OCc4ccccc4)cc3)n2)cc1 ZINC000059387403 568705408 /nfs/dbraw/zinc/70/54/08/568705408.db2.gz ZQWKCQQTSSDUNP-AFUMVMLFSA-N 0 0 419.937 6.489 40 30 HKEBRN Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2/C=N/c2ccccc2C)cc1 ZINC000059392238 568705488 /nfs/dbraw/zinc/70/54/88/568705488.db2.gz QOQLLLBAHYEAIN-YZSQISJMSA-N 0 0 415.514 5.975 40 30 HKEBRN CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000059397981 568705439 /nfs/dbraw/zinc/70/54/39/568705439.db2.gz FCWWADHFVCMJSI-OAQYLSRUSA-N 0 0 401.506 5.116 40 30 HKEBRN CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000059397983 568705549 /nfs/dbraw/zinc/70/55/49/568705549.db2.gz FCWWADHFVCMJSI-NRFANRHFSA-N 0 0 401.506 5.116 40 30 HKEBRN CCCCCOc1ccc(C(C)N=Nc2nc(-c3ccc(Cl)cc3)cs2)cc1 ZINC000059398941 568705506 /nfs/dbraw/zinc/70/55/06/568705506.db2.gz WPEAFZQXSOXUCZ-XYGWBWBKSA-N 0 0 413.974 6.869 40 30 HKEBRN CCOc1cc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@H]43)cc2)ccc1OC ZINC000059402625 568705437 /nfs/dbraw/zinc/70/54/37/568705437.db2.gz IZWMNBKOEIGIHV-PAIWINSPSA-N 0 0 424.544 6.671 40 30 HKEBRN CCOc1cc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@@H]43)cc2)ccc1OC ZINC000059402629 568705451 /nfs/dbraw/zinc/70/54/51/568705451.db2.gz IZWMNBKOEIGIHV-AUQWLOBBSA-N 0 0 424.544 6.671 40 30 HKEBRN CCOc1cc(C=NNc2nc3ccccc3[nH]2)ccc1OCc1ccc(Cl)cc1 ZINC000059417073 568705772 /nfs/dbraw/zinc/70/57/72/568705772.db2.gz KOXPKYILESWXQJ-AFUMVMLFSA-N 0 0 420.900 5.640 40 30 HKEBRN Clc1ccc(COc2ccc(C=NNc3nc4ccccc4[nH]3)cc2)cc1Cl ZINC000059417097 568705744 /nfs/dbraw/zinc/70/57/44/568705744.db2.gz TUISNXDKJKMJRZ-WYMPLXKRSA-N 0 0 411.292 5.895 40 30 HKEBRN O=C1N/C(=N/c2ccccc2)S/C1=C/c1ccccc1OCc1ccccc1F ZINC000059418030 568706055 /nfs/dbraw/zinc/70/60/55/568706055.db2.gz JABXEZJNZASJOC-KGENOOAVSA-N 0 0 404.466 5.296 40 30 HKEBRN O=C1N/C(=N/c2ccccc2)S/C1=C/c1ccccc1OCc1ccc(F)cc1 ZINC000059418031 568706008 /nfs/dbraw/zinc/70/60/08/568706008.db2.gz KQPULMWPMVXJFJ-KGENOOAVSA-N 0 0 404.466 5.296 40 30 HKEBRN O=C1N/C(=N/c2ccccc2)S/C1=C/c1cccc(OCc2ccccc2F)c1 ZINC000059418032 568705920 /nfs/dbraw/zinc/70/59/20/568705920.db2.gz ALYGJTRTRYASFT-KGENOOAVSA-N 0 0 404.466 5.296 40 30 HKEBRN O=C1N/C(=N/c2ccccc2)S/C1=C/c1cccc(OCc2ccc(F)cc2)c1 ZINC000059418033 568706015 /nfs/dbraw/zinc/70/60/15/568706015.db2.gz OYRAMBAPKLKPDQ-KGENOOAVSA-N 0 0 404.466 5.296 40 30 HKEBRN O=C1N/C(=N/c2ccccc2)S/C1=C/c1ccc(OCc2ccc(F)cc2)cc1 ZINC000059418034 568705971 /nfs/dbraw/zinc/70/59/71/568705971.db2.gz SHJGHMNEJPIMNR-KGENOOAVSA-N 0 0 404.466 5.296 40 30 HKEBRN CCOC(=O)c1ccc(-c2ccc(/C=C3/S/C(=N/c4ccccc4)NC3=O)o2)cc1 ZINC000059418037 568705984 /nfs/dbraw/zinc/70/59/84/568705984.db2.gz CRNANMHWDSEXQS-XSFVSMFZSA-N 0 0 418.474 5.015 40 30 HKEBRN COc1cc(C=NNc2nc3ccccc3s2)ccc1OCc1ccccc1F ZINC000059418079 568706023 /nfs/dbraw/zinc/70/60/23/568706023.db2.gz CQDQPWCBDSXYDI-ZMOGYAJESA-N 0 0 407.470 5.469 40 30 HKEBRN COc1cc(C=NNc2nc3ccccc3s2)ccc1OCc1ccc(F)cc1 ZINC000059418080 568706059 /nfs/dbraw/zinc/70/60/59/568706059.db2.gz IDGBPADROMWJAW-ZMOGYAJESA-N 0 0 407.470 5.469 40 30 HKEBRN CCOc1cc(C=NNc2nc3ccccc3s2)ccc1OCc1ccc(F)cc1 ZINC000059418081 568705939 /nfs/dbraw/zinc/70/59/39/568705939.db2.gz HDQMZPXCCWKUBM-AFUMVMLFSA-N 0 0 421.497 5.859 40 30 HKEBRN COc1ccc(C=NNc2nc3ccccc3s2)cc1OCc1ccc(Cl)cc1 ZINC000059418082 568705931 /nfs/dbraw/zinc/70/59/31/568705931.db2.gz KMBKIKFZRYMUFY-ZMOGYAJESA-N 0 0 423.925 5.983 40 30 HKEBRN COc1ccc(/C=N/c2nc(-c3ccccc3)c(-c3ccccc3)s2)c(OC)c1 ZINC000059425583 568706380 /nfs/dbraw/zinc/70/63/80/568706380.db2.gz DTKSUAAJPSHADI-PCLIKHOPSA-N 0 0 400.503 6.245 40 30 HKEBRN Clc1cccc(Cl)c1/C=N/c1nc(-c2ccccc2)c(-c2ccccc2)s1 ZINC000059425588 568706191 /nfs/dbraw/zinc/70/61/91/568706191.db2.gz YXPMTBYFZGAWBX-AFUMVMLFSA-N 0 0 409.341 7.535 40 30 HKEBRN Cc1cc(C=NNc2ccccc2)c(C)n1-c1ccc(I)cc1 ZINC000059426227 568706196 /nfs/dbraw/zinc/70/61/96/568706196.db2.gz WADUNHVZAJQBFT-FYJGNVAPSA-N 0 0 415.278 5.145 40 30 HKEBRN Cc1ccc(-n2c(-c3ccccc3)cc(/C=N/c3ccccc3)c2-c2ccccc2)cc1 ZINC000059426262 568706168 /nfs/dbraw/zinc/70/61/68/568706168.db2.gz MSALRPKGYHANQW-DFKUXCBWSA-N 0 0 412.536 7.870 40 30 HKEBRN Cc1cc(C)cc(/N=C2\NC(=O)/C(=C/c3c4ccccc4cc4ccccc43)S2)c1 ZINC000059426760 568706467 /nfs/dbraw/zinc/70/64/67/568706467.db2.gz ZPACJUOYORMJKU-IWIPYMOSSA-N 0 0 408.526 6.501 40 30 HKEBRN Cc1cc(/C=C2/S/C(=N/c3cc(C)cc(C)c3)NC2=O)c(C)n1-c1ccccc1 ZINC000059426774 568706470 /nfs/dbraw/zinc/70/64/70/568706470.db2.gz GFNNTYHMQXDBEG-HYARGMPZSA-N 0 0 401.535 5.603 40 30 HKEBRN CCN(CC)c1ccc(/C=C2\S/C(=N/c3cc(C)cc(C)c3)NC2=O)c(OC)c1 ZINC000059426819 568706445 /nfs/dbraw/zinc/70/64/45/568706445.db2.gz IFTJBSKPMHDHQX-BKUYFWCQSA-N 0 0 409.555 5.050 40 30 HKEBRN CCOc1ccc2ccccc2c1/C=C1\S/C(=N/c2cc(C)cc(C)c2)NC1=O ZINC000059426822 568706496 /nfs/dbraw/zinc/70/64/96/568706496.db2.gz NCUHLYSXIVFGKP-HMAPJEAMSA-N 0 0 402.519 5.747 40 30 HKEBRN Cc1cc(C)cc(/N=C2\NC(=O)/C(=C\c3cc(Cl)cc(Cl)c3Cl)S2)c1 ZINC000059426828 568706440 /nfs/dbraw/zinc/70/64/40/568706440.db2.gz RNGKHWBQQIQKDW-VIZOYTHASA-N 0 0 411.741 6.155 40 30 HKEBRN Cc1cc(/C=C2\S/C(=N/c3ccc(C)cc3)NC2=O)c(C)n1-c1cc(C)cc(C)c1 ZINC000059427033 568706439 /nfs/dbraw/zinc/70/64/39/568706439.db2.gz JSMLPIJXTISNGU-UCQKPKSFSA-N 0 0 415.562 5.911 40 30 HKEBRN Cc1cc(/C=C2\S/C(=N/c3cccc(C)c3)NC2=O)c(C)n1-c1cc(C)cc(C)c1 ZINC000059427034 568706485 /nfs/dbraw/zinc/70/64/85/568706485.db2.gz JOBGKQWTTQYLNZ-UCQKPKSFSA-N 0 0 415.562 5.911 40 30 HKEBRN COC(=O)c1cc(/N=C/c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)ccc1Cl ZINC000059427175 568706443 /nfs/dbraw/zinc/70/64/43/568706443.db2.gz XBAAYFNNTIEWPE-FSJBWODESA-N 0 0 411.845 5.193 40 30 HKEBRN Cc1ccc(C)n1-c1ccc(/N=C\c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)cc1 ZINC000059427202 568706450 /nfs/dbraw/zinc/70/64/50/568706450.db2.gz CYOVMBKFHRLTKU-QQXSKIMKSA-N 0 0 412.493 6.160 40 30 HKEBRN Cc1cc(/C=N/N(c2ccccc2)c2ccccc2)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000059427203 568706460 /nfs/dbraw/zinc/70/64/60/568706460.db2.gz IAKJODQQDHJKTE-NLRVBDNBSA-N 0 0 410.477 6.175 40 30 HKEBRN CCOC(=O)c1ccc(-n2c(C)cc(C=NNc3ccc4ccccc4n3)c2C)cc1 ZINC000059427386 568706437 /nfs/dbraw/zinc/70/64/37/568706437.db2.gz LNYAGKUDPZMIBV-WGOQTCKBSA-N 0 0 412.493 5.265 40 30 HKEBRN COc1ccc(-c2c(C#N)c(/N=C/c3ccc(N(C)C)cc3)oc2-c2ccccc2)cc1 ZINC000059433139 568706436 /nfs/dbraw/zinc/70/64/36/568706436.db2.gz ZTBCLLOOPUSZNK-RDRPBHBLSA-N 0 0 421.500 6.310 40 30 HKEBRN COc1ccc(Cl)cc1/C=C1/S/C(=N/c2cccc(Cl)c2Cl)NC1=O ZINC000059433552 568706516 /nfs/dbraw/zinc/70/65/16/568706516.db2.gz ARWHKBMBMXIUQC-RIYZIHGNSA-N 0 0 413.713 5.547 40 30 HKEBRN CCOc1ccc(/C=C2/S/C(=N/c3ccc(OC)cc3)NC2=O)c2ccccc12 ZINC000059433582 568706425 /nfs/dbraw/zinc/70/64/25/568706425.db2.gz PNOPGQKWOFYJQZ-KGENOOAVSA-N 0 0 404.491 5.139 40 30 HKEBRN COCc1cc(C)nc(N=NCc2ccc(OCc3ccc(Cl)cc3)cc2)c1C#N ZINC000059433711 568706492 /nfs/dbraw/zinc/70/64/92/568706492.db2.gz DHAZUBOSTIJXFI-LGJNPRDNSA-N 0 0 420.900 5.087 40 30 HKEBRN COCc1cc(C)nc(N=NCc2cccc(OCc3ccc(Cl)cc3)c2)c1C#N ZINC000059433716 568706550 /nfs/dbraw/zinc/70/65/50/568706550.db2.gz MKCBWHNNVBEEFC-LGJNPRDNSA-N 0 0 420.900 5.087 40 30 HKEBRN COCc1cc(C)nc(N=NCc2ccccc2OCc2ccc(Cl)cc2)c1C#N ZINC000059433720 568706490 /nfs/dbraw/zinc/70/64/90/568706490.db2.gz RPIHEKVTIXVFBG-LGJNPRDNSA-N 0 0 420.900 5.087 40 30 HKEBRN O=C1CN(Cc2ccccc2)[C@@H](c2ccccc2Cl)N1/N=C/c1ccccc1Cl ZINC000059435453 568706660 /nfs/dbraw/zinc/70/66/60/568706660.db2.gz JAEXNLRIOFEXSF-SIBVSACJSA-N 0 0 424.331 5.371 40 30 HKEBRN O=C1CN(Cc2ccccc2)[C@H](c2ccccc2Cl)N1/N=C/c1ccccc1Cl ZINC000059435454 568706726 /nfs/dbraw/zinc/70/67/26/568706726.db2.gz JAEXNLRIOFEXSF-XHEHIBSSSA-N 0 0 424.331 5.371 40 30 HKEBRN C/C(=N\N1C(=O)CN(Cc2ccccc2)[C@H]1c1ccc(C)cc1)c1ccc(Cl)cc1 ZINC000059435509 568706836 /nfs/dbraw/zinc/70/68/36/568706836.db2.gz OVBBQLYZYUNMBG-AYDYRGASSA-N 0 0 417.940 5.416 40 30 HKEBRN C/C(=N\N1C(=O)CN(Cc2ccccc2)[C@@H]1c1ccc(C)cc1)c1ccc(Cl)cc1 ZINC000059435510 568706744 /nfs/dbraw/zinc/70/67/44/568706744.db2.gz OVBBQLYZYUNMBG-WINMZROPSA-N 0 0 417.940 5.416 40 30 HKEBRN C/C(=N\N1C(=O)CN(Cc2ccccc2)[C@H]1c1ccc(Cl)cc1)c1ccccc1 ZINC000059435511 568706808 /nfs/dbraw/zinc/70/68/08/568706808.db2.gz HSOINELGRIJKSJ-PSQINSSGSA-N 0 0 403.913 5.107 40 30 HKEBRN C/C(=N\N1C(=O)CN(Cc2ccccc2)[C@@H]1c1ccc(Cl)cc1)c1ccccc1 ZINC000059435512 568706825 /nfs/dbraw/zinc/70/68/25/568706825.db2.gz HSOINELGRIJKSJ-FXVMGJAWSA-N 0 0 403.913 5.107 40 30 HKEBRN Oc1ccc(Cl)cc1/C=N/c1cc(C(F)(F)F)ccc1OCc1ccccc1 ZINC000059459249 568704305 /nfs/dbraw/zinc/70/43/05/568704305.db2.gz AKCRBTXEFBTQKM-RPPGKUMJSA-N 0 0 405.803 6.394 40 30 HKEBRN COc1ccc(O)c(/C=N/c2cc(C(F)(F)F)ccc2OCc2ccccc2)c1 ZINC000059459256 568704389 /nfs/dbraw/zinc/70/43/89/568704389.db2.gz KDIYIHOACREBPP-LGJNPRDNSA-N 0 0 401.384 5.749 40 30 HKEBRN Oc1ccc2ccccc2c1/C=N/c1cc(C(F)(F)F)ccc1OCc1ccccc1 ZINC000059459257 568704281 /nfs/dbraw/zinc/70/42/81/568704281.db2.gz QPLNAVYGXDYLKV-WKULSOCRSA-N 0 0 421.418 6.894 40 30 HKEBRN COc1ccc2c(c1)CCc1sc(/N=C/c3c4ccccc4cc4ccccc43)nc1-2 ZINC000059459294 568704300 /nfs/dbraw/zinc/70/43/00/568704300.db2.gz IBRKYOGSSRGJQG-LQKURTRISA-N 0 0 420.537 6.974 40 30 HKEBRN COc1ccc2c(c1)CCc1sc(/N=C/c3c(OC)ccc4ccccc43)nc1-2 ZINC000059459312 568704333 /nfs/dbraw/zinc/70/43/33/568704333.db2.gz WVPMWLANUHCQNY-AFUMVMLFSA-N 0 0 400.503 5.830 40 30 HKEBRN Cc1ccc(/N=C2/NC(=O)/C(=C/c3cc([N+](=O)[O-])c(Cl)cc3Cl)S2)c(C)c1 ZINC000059459409 568704403 /nfs/dbraw/zinc/70/44/03/568704403.db2.gz IHZXGAVLXKYAAN-APSNUPSMSA-N 0 0 422.293 5.410 40 30 HKEBRN COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=Cc2ccc(Cl)c(Cl)c2)C1=O ZINC000059459521 568704348 /nfs/dbraw/zinc/70/43/48/568704348.db2.gz NFBSVBREXPZABQ-WOJGMQOQSA-N 0 0 402.277 5.179 40 30 HKEBRN COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)C(=Cc2ccc(Cl)c(Cl)c2)C1=O ZINC000059459522 568704322 /nfs/dbraw/zinc/70/43/22/568704322.db2.gz MROIPAXNXUOZKP-YBFXNURJSA-N 0 0 416.304 5.487 40 30 HKEBRN C/C(=N\N1C(=O)CN(Cc2ccccc2)[C@H]1c1ccccc1)c1ccc(Cl)cc1 ZINC000059459523 568704351 /nfs/dbraw/zinc/70/43/51/568704351.db2.gz BECWJQPEKVCEPG-PSQINSSGSA-N 0 0 403.913 5.107 40 30 HKEBRN C/C(=N\N1C(=O)CN(Cc2ccccc2)[C@@H]1c1ccccc1)c1ccc(Cl)cc1 ZINC000059459524 568704283 /nfs/dbraw/zinc/70/42/83/568704283.db2.gz BECWJQPEKVCEPG-FXVMGJAWSA-N 0 0 403.913 5.107 40 30 HKEBRN C/C(=N\N1C(=O)CN(Cc2ccccc2)[C@H]1c1ccc(Cl)cc1)c1ccc(C)cc1 ZINC000059459528 568704395 /nfs/dbraw/zinc/70/43/95/568704395.db2.gz YJBVBEUIGWQGSK-AYDYRGASSA-N 0 0 417.940 5.416 40 30 HKEBRN C/C(=N\N1C(=O)CN(Cc2ccccc2)[C@@H]1c1ccc(Cl)cc1)c1ccc(C)cc1 ZINC000059459529 568704363 /nfs/dbraw/zinc/70/43/63/568704363.db2.gz YJBVBEUIGWQGSK-WINMZROPSA-N 0 0 417.940 5.416 40 30 HKEBRN C/C(=N\N1C(=O)CN(Cc2ccccc2)[C@H]1c1cccc(Cl)c1)c1ccc(C)cc1 ZINC000059459544 568704672 /nfs/dbraw/zinc/70/46/72/568704672.db2.gz CPEZSJDRFLMIBI-AYDYRGASSA-N 0 0 417.940 5.416 40 30 HKEBRN C/C(=N\N1C(=O)CN(Cc2ccccc2)[C@@H]1c1cccc(Cl)c1)c1ccc(C)cc1 ZINC000059459545 568704687 /nfs/dbraw/zinc/70/46/87/568704687.db2.gz CPEZSJDRFLMIBI-WINMZROPSA-N 0 0 417.940 5.416 40 30 HKEBRN C/C(=N\N1C(=O)CN(Cc2ccccc2)[C@H]1c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000059459722 568704619 /nfs/dbraw/zinc/70/46/19/568704619.db2.gz KDGFXQXTBIXPHD-FXZATJRASA-N 0 0 421.903 5.246 40 30 HKEBRN C/C(=N\N1C(=O)CN(Cc2ccccc2)[C@@H]1c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000059459723 568704579 /nfs/dbraw/zinc/70/45/79/568704579.db2.gz KDGFXQXTBIXPHD-VNSNFZHPSA-N 0 0 421.903 5.246 40 30 HKEBRN Brc1ccc(/C=N/C2=N[C@H](c3ccco3)[C@H](c3ccco3)S2)cc1 ZINC000059461341 568704719 /nfs/dbraw/zinc/70/47/19/568704719.db2.gz QVDRFBOPVVEHGC-GNSOHCBRSA-N 0 0 401.285 5.639 40 30 HKEBRN Brc1ccc(/C=N/C2=N[C@@H](c3ccco3)[C@H](c3ccco3)S2)cc1 ZINC000059461342 568704723 /nfs/dbraw/zinc/70/47/23/568704723.db2.gz QVDRFBOPVVEHGC-FNPLVTCOSA-N 0 0 401.285 5.639 40 30 HKEBRN Brc1ccc(/C=N/C2=N[C@H](c3ccco3)[C@@H](c3ccco3)S2)cc1 ZINC000059461343 568704590 /nfs/dbraw/zinc/70/45/90/568704590.db2.gz QVDRFBOPVVEHGC-WGQIQHNGSA-N 0 0 401.285 5.639 40 30 HKEBRN Brc1ccc(/C=N/C2=N[C@@H](c3ccco3)[C@@H](c3ccco3)S2)cc1 ZINC000059461344 568704641 /nfs/dbraw/zinc/70/46/41/568704641.db2.gz QVDRFBOPVVEHGC-XKOORFEASA-N 0 0 401.285 5.639 40 30 HKEBRN Cc1ccc(/N=C2/c3cc(Br)ccc3N(Cc3ccc(F)cc3)C2=O)cc1 ZINC000059461423 568704566 /nfs/dbraw/zinc/70/45/66/568704566.db2.gz MSZWSLXCBXFNFN-DAFNUICNSA-N 0 0 423.285 5.564 40 30 HKEBRN COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=Cc2ccc(Cl)cc2Cl)C1=O ZINC000059461620 568704667 /nfs/dbraw/zinc/70/46/67/568704667.db2.gz VTURGEKPZQXWHJ-VXLYETTFSA-N 0 0 416.304 5.487 40 30 HKEBRN Oc1ccc(Br)cc1/C=N/c1cc(C(F)(F)F)ccc1N1CCCC1 ZINC000059462027 568704696 /nfs/dbraw/zinc/70/46/96/568704696.db2.gz QUCDBVFMCSVGOJ-FOKLQQMPSA-N 0 0 413.237 5.524 40 30 HKEBRN Brc1cccc(/C=N/c2nc(-c3ccccc3)c(-c3ccccc3)s2)c1 ZINC000059463559 568704560 /nfs/dbraw/zinc/70/45/60/568704560.db2.gz TZZBDXOYOWROAD-BUVRLJJBSA-N 0 0 419.347 6.990 40 30 HKEBRN Brc1ccc(/C=N/c2nc(-c3ccccc3)c(-c3ccccc3)s2)cc1 ZINC000059463561 568704710 /nfs/dbraw/zinc/70/47/10/568704710.db2.gz RSAPKBHUBPEGHG-BUVRLJJBSA-N 0 0 419.347 6.990 40 30 HKEBRN COc1ccc(/C=N/c2nc(-c3ccccc3)c(-c3ccccc3)s2)cc1OC ZINC000059463573 568704574 /nfs/dbraw/zinc/70/45/74/568704574.db2.gz UFNCUYAVIPJMDB-PCLIKHOPSA-N 0 0 400.503 6.245 40 30 HKEBRN COc1ccc(OC)c(/C=N/c2nc(-c3ccccc3)c(-c3ccccc3)s2)c1 ZINC000059463574 568704706 /nfs/dbraw/zinc/70/47/06/568704706.db2.gz UXNHOHSUNWGMEZ-PCLIKHOPSA-N 0 0 400.503 6.245 40 30 HKEBRN O=[N+]([O-])c1ccc(-c2sc(/N=C/c3ccccc3Cl)nc2-c2ccccc2)cc1 ZINC000059463654 568704604 /nfs/dbraw/zinc/70/46/04/568704604.db2.gz WOLSSOQIQUEWAK-ZVHZXABRSA-N 0 0 419.893 6.789 40 30 HKEBRN O=[N+]([O-])c1ccc(-c2sc(/N=C/c3ccc(Cl)cc3)nc2-c2ccccc2)cc1 ZINC000059463655 568704683 /nfs/dbraw/zinc/70/46/83/568704683.db2.gz CLRWZZRBVVICPM-ZVHZXABRSA-N 0 0 419.893 6.789 40 30 HKEBRN O=[N+]([O-])c1ccc(-c2sc(/N=C/c3ccccc3F)nc2-c2ccccc2)cc1 ZINC000059463657 568704675 /nfs/dbraw/zinc/70/46/75/568704675.db2.gz CCOJLAFLBCCGQI-ZVHZXABRSA-N 0 0 403.438 6.275 40 30 HKEBRN O=[N+]([O-])c1ccc(-c2sc(/N=C/c3ccc(F)cc3)nc2-c2ccccc2)cc1 ZINC000059463659 568704637 /nfs/dbraw/zinc/70/46/37/568704637.db2.gz TWMMPTXIVWDXKP-ZVHZXABRSA-N 0 0 403.438 6.275 40 30 HKEBRN COc1ccc(/C=N/c2nc(-c3ccccc3)c(-c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000059463665 568704733 /nfs/dbraw/zinc/70/47/33/568704733.db2.gz HETOGZICZOASMT-BUVRLJJBSA-N 0 0 415.474 6.145 40 30 HKEBRN COc1cccc(/C=N/c2nc(-c3ccccc3)c(-c3ccc([N+](=O)[O-])cc3)s2)c1 ZINC000059463667 568704598 /nfs/dbraw/zinc/70/45/98/568704598.db2.gz BQVIBEDKXDNKMH-BUVRLJJBSA-N 0 0 415.474 6.145 40 30 HKEBRN COc1ccccc1/C=N/c1nc(-c2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000059463668 568704607 /nfs/dbraw/zinc/70/46/07/568704607.db2.gz UMDAREOUDVJECJ-BUVRLJJBSA-N 0 0 415.474 6.145 40 30 HKEBRN O=[N+]([O-])c1ccc(-c2sc(/N=C/c3ccccc3O)nc2-c2ccccc2)cc1 ZINC000059463678 568704614 /nfs/dbraw/zinc/70/46/14/568704614.db2.gz MHWPOHZCECVLKD-OEAKJJBVSA-N 0 0 401.447 5.842 40 30 HKEBRN Cc1ccc(/C=N/c2nc(-c3ccc(C)cc3)c(-c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000059463683 568704822 /nfs/dbraw/zinc/70/48/22/568704822.db2.gz ABURPAONVFIWCC-MFKUBSTISA-N 0 0 413.502 6.753 40 30 HKEBRN Cc1ccc(-c2nc(/N=C/c3ccccc3F)sc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000059463687 568704856 /nfs/dbraw/zinc/70/48/56/568704856.db2.gz NDMIUJDLNXMPQS-AFUMVMLFSA-N 0 0 417.465 6.583 40 30 HKEBRN Cc1ccc(-c2nc(/N=C/c3ccc(F)cc3)sc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000059463688 568704906 /nfs/dbraw/zinc/70/49/06/568704906.db2.gz XDPBLANDSDWMSN-AFUMVMLFSA-N 0 0 417.465 6.583 40 30 HKEBRN O=[N+]([O-])c1ccc(-c2sc(/N=C/c3ccccc3)nc2-c2ccc(Cl)cc2)cc1 ZINC000059463709 568704844 /nfs/dbraw/zinc/70/48/44/568704844.db2.gz KRINMFYUABABSP-ZVHZXABRSA-N 0 0 419.893 6.789 40 30 HKEBRN COc1ccc(-c2nc(/N=C/c3ccccc3)sc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000059463739 568704933 /nfs/dbraw/zinc/70/49/33/568704933.db2.gz AERCSIPOXUAZJV-BUVRLJJBSA-N 0 0 415.474 6.145 40 30 HKEBRN Cc1ccc(-c2nc(/N=C/c3ccccc3)sc2-c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000059463768 568704900 /nfs/dbraw/zinc/70/49/00/568704900.db2.gz VDQPBMRPXGJYHS-MFKUBSTISA-N 0 0 413.502 6.753 40 30 HKEBRN Cc1ccc(-c2nc(/N=C/c3ccco3)sc2-c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000059463801 568704827 /nfs/dbraw/zinc/70/48/27/568704827.db2.gz OKLJRTQBSSULEN-YDZHTSKRSA-N 0 0 403.463 6.346 40 30 HKEBRN COc1cccc(/C=N/c2nc(-c3ccc(C)cc3)c(-c3ccccc3)s2)c1O ZINC000059463824 568704870 /nfs/dbraw/zinc/70/48/70/568704870.db2.gz ZRNWCYHSMONCNK-MFKUBSTISA-N 0 0 400.503 6.250 40 30 HKEBRN COc1ccc(/C=N/c2nc(-c3ccc(C)cc3)c(-c3ccccc3)s2)cc1OC ZINC000059463825 568704891 /nfs/dbraw/zinc/70/48/91/568704891.db2.gz OOWPYPMARQBDQO-WGOQTCKBSA-N 0 0 414.530 6.553 40 30 HKEBRN COc1ccc(OC)c(/C=N/c2nc(-c3ccc(C)cc3)c(-c3ccccc3)s2)c1 ZINC000059463827 568704964 /nfs/dbraw/zinc/70/49/64/568704964.db2.gz UWARALZQGAKQPB-WGOQTCKBSA-N 0 0 414.530 6.553 40 30 HKEBRN COc1ccc(-c2nc(/N=C/c3ccc(C)cc3)sc2-c2ccc(OC)cc2)cc1 ZINC000059464288 568704818 /nfs/dbraw/zinc/70/48/18/568704818.db2.gz APUQTXWPFKIIBE-WGOQTCKBSA-N 0 0 414.530 6.553 40 30 HKEBRN COc1ccc(-c2nc(/N=C/c3ccc(F)cc3)sc2-c2ccc(OC)cc2)cc1 ZINC000059464302 568704926 /nfs/dbraw/zinc/70/49/26/568704926.db2.gz PRHAHHFZPAWAIE-CVKSISIWSA-N 0 0 418.493 6.384 40 30 HKEBRN COc1ccc(-c2nc(/N=C/c3ccccc3F)sc2-c2ccc(OC)cc2)cc1 ZINC000059464303 568704889 /nfs/dbraw/zinc/70/48/89/568704889.db2.gz GUWRHALVHRUEBI-CVKSISIWSA-N 0 0 418.493 6.384 40 30 HKEBRN COc1ccc(-c2nc(/N=C/c3ccccc3)sc2-c2ccc(OC)cc2)cc1 ZINC000059464316 568704967 /nfs/dbraw/zinc/70/49/67/568704967.db2.gz AWVYQRSPEIAODH-PCLIKHOPSA-N 0 0 400.503 6.245 40 30 HKEBRN C(=N/c1ccc([C@H]2Nc3ccccc3[C@H]3C=CC[C@H]32)cc1)\c1cccc2ccccc12 ZINC000059471676 568704930 /nfs/dbraw/zinc/70/49/30/568704930.db2.gz NSRDOBGLWZDKTE-CRKVOJROSA-N 0 0 400.525 7.417 40 30 HKEBRN C(=N/c1ccc([C@@H]2Nc3ccccc3[C@H]3C=CC[C@H]32)cc1)\c1cccc2ccccc12 ZINC000059471678 568704830 /nfs/dbraw/zinc/70/48/30/568704830.db2.gz NSRDOBGLWZDKTE-YTXIPSSKSA-N 0 0 400.525 7.417 40 30 HKEBRN C(=N/c1ccc([C@H]2Nc3ccccc3[C@H]3C=CC[C@@H]32)cc1)\c1cccc2ccccc12 ZINC000059471679 568704883 /nfs/dbraw/zinc/70/48/83/568704883.db2.gz NSRDOBGLWZDKTE-LHRLDTQZSA-N 0 0 400.525 7.417 40 30 HKEBRN C(=N/c1ccc([C@@H]2Nc3ccccc3[C@H]3C=CC[C@@H]32)cc1)\c1cccc2ccccc12 ZINC000059471680 568704923 /nfs/dbraw/zinc/70/49/23/568704923.db2.gz NSRDOBGLWZDKTE-KZYSEAEVSA-N 0 0 400.525 7.417 40 30 HKEBRN Oc1ccccc1/C=N/c1ccc2nc(C(c3ccccc3)c3ccccc3)sc2c1 ZINC000059474869 568707025 /nfs/dbraw/zinc/70/70/25/568707025.db2.gz KJVAAXPTGZTXIK-MTDXEUNCSA-N 0 0 420.537 6.933 40 30 HKEBRN CC(C)c1ccc(C2C3=C(CC(C)(C)CC3=O)N(C)C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000059474874 568707068 /nfs/dbraw/zinc/70/70/68/568707068.db2.gz FUFXBJBWEBTSHW-UHFFFAOYSA-N 0 0 405.582 6.125 40 30 HKEBRN Oc1ccccc1CN=Nc1nc(-c2ccccc2)c(-c2ccc(Cl)cc2)s1 ZINC000059475130 568706912 /nfs/dbraw/zinc/70/69/12/568706912.db2.gz RLHGJGJITPEAPQ-ZVHZXABRSA-N 0 0 405.910 6.282 40 30 HKEBRN Clc1ccc(-c2sc(N=NCc3ccccc3Cl)nc2-c2ccccc2)cc1 ZINC000059475131 568706937 /nfs/dbraw/zinc/70/69/37/568706937.db2.gz GUBGVDRPCKEYQC-AFUMVMLFSA-N 0 0 424.356 7.230 40 30 HKEBRN Clc1ccc(CN=Nc2nc(-c3ccccc3)c(-c3ccc(Cl)cc3)s2)cc1 ZINC000059475132 568706915 /nfs/dbraw/zinc/70/69/15/568706915.db2.gz LZFLSXVVOVBENY-AFUMVMLFSA-N 0 0 424.356 7.230 40 30 HKEBRN CC(N=Nc1nc(-c2ccccc2)c(-c2ccc(Cl)cc2)s1)c1ccccc1 ZINC000059475133 568707104 /nfs/dbraw/zinc/70/71/04/568707104.db2.gz YUDKFTNXUWRQAM-WGOQTCKBSA-N 0 0 403.938 6.967 40 30 HKEBRN CC(N=Nc1nc(-c2ccccc2)c(-c2ccc(Cl)cc2)s1)c1ccccc1O ZINC000059475134 568706917 /nfs/dbraw/zinc/70/69/17/568706917.db2.gz KFEVFTXHGBESNE-CVKSISIWSA-N 0 0 419.937 6.672 40 30 HKEBRN COc1ccc(CN=Nc2nc(-c3ccccc3)c(-c3ccc(Cl)cc3)s2)cc1 ZINC000059475140 568707017 /nfs/dbraw/zinc/70/70/17/568707017.db2.gz WSJVMAARBNACOZ-MFKUBSTISA-N 0 0 419.937 6.585 40 30 HKEBRN Fc1ccc(CN=Nc2nc(-c3ccccc3)c(-c3ccc(Cl)cc3)s2)cc1 ZINC000059475146 568706916 /nfs/dbraw/zinc/70/69/16/568706916.db2.gz LTDVLSDEBGSZSV-AFUMVMLFSA-N 0 0 407.901 6.716 40 30 HKEBRN C=CCOc1ccccc1CN=Nc1nc(-c2ccc(Br)cc2)cs1 ZINC000059475149 568707022 /nfs/dbraw/zinc/70/70/22/568707022.db2.gz CCBZDPYLGUPFSH-CIAFOILYSA-N 0 0 414.328 5.583 40 30 HKEBRN C=CCOc1ccc(CN=Nc2nc(-c3ccc(Br)cc3)cs2)cc1 ZINC000059475150 568707013 /nfs/dbraw/zinc/70/70/13/568707013.db2.gz JCUHKHXOJLAFOH-CIAFOILYSA-N 0 0 414.328 5.583 40 30 HKEBRN Clc1ccc(CN=Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)c(Cl)c1 ZINC000059475152 568706911 /nfs/dbraw/zinc/70/69/11/568706911.db2.gz SRBAZAHRKNDBPW-AFUMVMLFSA-N 0 0 424.356 7.230 40 30 HKEBRN COC(=O)c1ccc(CN=Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)cc1 ZINC000059475153 568706926 /nfs/dbraw/zinc/70/69/26/568706926.db2.gz SMLIORKCIQWNNY-PCLIKHOPSA-N 0 0 413.502 5.710 40 30 HKEBRN C=CCOc1ccccc1CN=Nc1nc(-c2ccccc2)c(-c2ccccc2)s1 ZINC000059475155 568706972 /nfs/dbraw/zinc/70/69/72/568706972.db2.gz BOEGQWUYAHLTIH-NLRVBDNBSA-N 0 0 411.530 6.488 40 30 HKEBRN C=CCOc1ccc(CN=Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)cc1 ZINC000059475156 568706953 /nfs/dbraw/zinc/70/69/53/568706953.db2.gz RMOQMTKXNFXWSN-NLRVBDNBSA-N 0 0 411.530 6.488 40 30 HKEBRN CCCOc1ccc(C(F)(F)F)cc1/N=C/c1cc(Br)ccc1O ZINC000059475452 568707240 /nfs/dbraw/zinc/70/72/40/568707240.db2.gz DXSNPHPNFQAIQB-LSHDLFTRSA-N 0 0 402.210 5.713 40 30 HKEBRN Cc1cc(C)cc(C(=O)Nc2ccc(OCC(F)(F)C(F)F)c(C(F)(F)F)c2)c1 ZINC000059475478 568707390 /nfs/dbraw/zinc/70/73/90/568707390.db2.gz XQRNZIOQVFGHBS-UHFFFAOYSA-N 0 0 423.328 5.854 40 30 HKEBRN O=C(Cc1ccccc1)Nc1ccc(OCC(F)(F)C(F)F)c(C(F)(F)F)c1 ZINC000059475480 568707193 /nfs/dbraw/zinc/70/71/93/568707193.db2.gz LTLGESOIXMVJAJ-UHFFFAOYSA-N 0 0 409.301 5.166 40 30 HKEBRN Oc1ccc2ccccc2c1/C=N/c1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000059475489 568707379 /nfs/dbraw/zinc/70/73/79/568707379.db2.gz XVVKGENUTHSKFZ-VULFUBBASA-N 0 0 400.400 5.151 40 30 HKEBRN CN(c1ccccc1)c1ccc(/C=N/c2nc(-c3ccc(Cl)cc3)cs2)cc1 ZINC000059483024 568707349 /nfs/dbraw/zinc/70/73/49/568707349.db2.gz HDYVEUPMDPDKNR-MFKUBSTISA-N 0 0 403.938 6.982 40 30 HKEBRN CC(N=Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccc(Br)cc1 ZINC000059483045 568707388 /nfs/dbraw/zinc/70/73/88/568707388.db2.gz UEXRDPZTBKOWKE-SRZZPIQSSA-N 0 0 406.736 6.062 40 30 HKEBRN Cc1ccc(C(=O)Oc2ccc(/C=C3\C(=O)ON=C3c3ccc(Cl)cc3)cc2)cc1 ZINC000059483065 568707284 /nfs/dbraw/zinc/70/72/84/568707284.db2.gz KHKGURZHXAHOBJ-STZFKDTASA-N 0 0 417.848 5.212 40 30 HKEBRN O=C1ON=C(c2ccc(Cl)cc2)/C1=C\c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000059483067 568707185 /nfs/dbraw/zinc/70/71/85/568707185.db2.gz KXGWXFRAZPZXME-FYJGNVAPSA-N 0 0 424.283 5.917 40 30 HKEBRN COc1cc(/C=C2\C(=O)ON=C2c2ccc(Cl)cc2)ccc1OCc1ccccc1 ZINC000059483073 568707592 /nfs/dbraw/zinc/70/75/92/568707592.db2.gz BZSRCZUISROXOZ-MOSHPQCFSA-N 0 0 419.864 5.272 40 30 HKEBRN Cc1ccc(COc2ccc(/C=C3/C(=O)ON=C3c3ccc(Cl)cc3)cc2)cc1 ZINC000059483087 568707539 /nfs/dbraw/zinc/70/75/39/568707539.db2.gz KNTWWUHDZDANNP-HYARGMPZSA-N 0 0 403.865 5.572 40 30 HKEBRN Clc1ccc(-c2nn(-c3ccccc3)cc2/N=C/c2ccc3c(c2)OCO3)cc1 ZINC000059483113 568707513 /nfs/dbraw/zinc/70/75/13/568707513.db2.gz QAEQRFSHVLPWFK-DHRITJCHSA-N 0 0 401.853 5.672 40 30 HKEBRN Brc1cccc(/C=N/c2cn(-c3ccccc3)nc2-c2ccccc2)c1 ZINC000059483128 568707644 /nfs/dbraw/zinc/70/76/44/568707644.db2.gz AXGKLKXGZUWFKB-BUVRLJJBSA-N 0 0 402.295 6.052 40 30 HKEBRN CCCCOc1ccccc1C1C2=C(CC(C)(C)CC2=O)NC2=C1C(=O)CC(C)(C)C2 ZINC000059484175 568707457 /nfs/dbraw/zinc/70/74/57/568707457.db2.gz AVGFPCVMWOKRPX-UHFFFAOYSA-N 0 0 421.581 5.839 40 30 HKEBRN CCOc1cc(OC)ccc1C1C2=C(CC(C)(C)CC2=O)NC2=C1C(=O)CC(C)(C)C2 ZINC000059484185 568707460 /nfs/dbraw/zinc/70/74/60/568707460.db2.gz YBJDJPRMNAYRJH-UHFFFAOYSA-N 0 0 423.553 5.067 40 30 HKEBRN Clc1ccc(-c2nc(N=NCc3ccccc3Cl)sc2-c2ccccc2)cc1 ZINC000059484208 568707550 /nfs/dbraw/zinc/70/75/50/568707550.db2.gz KGZWBWSCXSJEKR-AFUMVMLFSA-N 0 0 424.356 7.230 40 30 HKEBRN COc1ccc(CN=Nc2nc(-c3ccc(Cl)cc3)c(-c3ccccc3)s2)cc1 ZINC000059484213 568707452 /nfs/dbraw/zinc/70/74/52/568707452.db2.gz DDPCBNVYPFSWIQ-MFKUBSTISA-N 0 0 419.937 6.585 40 30 HKEBRN Fc1ccc(CN=Nc2nc(-c3ccc(Cl)cc3)c(-c3ccccc3)s2)cc1 ZINC000059484221 568707612 /nfs/dbraw/zinc/70/76/12/568707612.db2.gz WEAWXEDQXPYQTH-AFUMVMLFSA-N 0 0 407.901 6.716 40 30 HKEBRN O=[N+]([O-])c1ccc(-c2sc(N=NCc3ccccc3)nc2-c2ccccc2)cc1 ZINC000059484248 568707482 /nfs/dbraw/zinc/70/74/82/568707482.db2.gz YILOPCAJPFFDMT-HZHRSRAPSA-N 0 0 400.463 5.831 40 30 HKEBRN O=[N+]([O-])c1ccc(-c2sc(N=NCc3ccccc3O)nc2-c2ccccc2)cc1 ZINC000059484250 568707486 /nfs/dbraw/zinc/70/74/86/568707486.db2.gz JJOOUFOHXNIZND-OEAKJJBVSA-N 0 0 416.462 5.537 40 30 HKEBRN O=[N+]([O-])c1ccc(-c2sc(N=NCc3ccc(F)cc3)nc2-c2ccccc2)cc1 ZINC000059484276 568707788 /nfs/dbraw/zinc/70/77/88/568707788.db2.gz QKRCOVANZYCSJC-ZVHZXABRSA-N 0 0 418.453 5.970 40 30 HKEBRN Cc1ccc(-c2nc(N=NCc3ccccc3[N+](=O)[O-])sc2-c2ccccc2)cc1 ZINC000059484278 568707815 /nfs/dbraw/zinc/70/78/15/568707815.db2.gz ZJZJOMDPJSCBRW-BUVRLJJBSA-N 0 0 414.490 6.140 40 30 HKEBRN Cc1ccc(-c2nc(N=NCc3cccc([N+](=O)[O-])c3)sc2-c2ccccc2)cc1 ZINC000059484279 568707872 /nfs/dbraw/zinc/70/78/72/568707872.db2.gz DYBMIDCMPQIDIG-BUVRLJJBSA-N 0 0 414.490 6.140 40 30 HKEBRN Cc1ccc(-c2nc(N=NCc3ccc([N+](=O)[O-])cc3)sc2-c2ccccc2)cc1 ZINC000059484282 571307939 /nfs/dbraw/zinc/30/79/39/571307939.db2.gz IUDXPBNWCHROQT-BUVRLJJBSA-N 0 0 414.490 6.140 40 30 HKEBRN Cc1ccc(-c2nc([N-][NH+]=Cc3ccc(N(C)C)cc3)sc2-c2ccccc2)cc1 ZINC000059484290 568707803 /nfs/dbraw/zinc/70/78/03/568707803.db2.gz QZRDPVIIHHOOLY-YZSQISJMSA-N 0 0 412.562 6.298 40 30 HKEBRN CCOc1ccc(CN=Nc2nc(-c3ccc(C)cc3)c(-c3ccccc3)s2)cc1 ZINC000059484300 568707689 /nfs/dbraw/zinc/70/76/89/568707689.db2.gz DAMBNPXDZICPEQ-YZSQISJMSA-N 0 0 413.546 6.630 40 30 HKEBRN COc1cc(CN=Nc2nc(-c3ccc(C)cc3)c(-c3ccccc3)s2)ccc1O ZINC000059484335 571308207 /nfs/dbraw/zinc/30/82/07/571308207.db2.gz IOIHCWKGFYQJNP-MFKUBSTISA-N 0 0 415.518 5.946 40 30 HKEBRN Cc1ccc(-c2nc(N=NCc3ccc(C(C)C)cc3)sc2-c2ccccc2)cc1 ZINC000059484359 568707835 /nfs/dbraw/zinc/70/78/35/568707835.db2.gz BEDUSKRHFAZWNJ-WPWMEQJKSA-N 0 0 411.574 7.355 40 30 HKEBRN Cc1ccc(-c2nc(N=NCc3ccc4c(c3)OCO4)sc2-c2ccccc2)cc1 ZINC000059484371 568707876 /nfs/dbraw/zinc/70/78/76/568707876.db2.gz ATFRFMIHKVACPK-AFUMVMLFSA-N 0 0 413.502 5.960 40 30 HKEBRN N#Cc1ccc(CSc2nnc(-c3ccccc3)n2-c2ccccc2)c(Cl)c1 ZINC000059484602 568956420 /nfs/dbraw/zinc/95/64/20/568956420.db2.gz FTBJDHWJFDBRHN-UHFFFAOYSA-N 0 0 402.910 5.752 40 30 HKEBRN N#Cc1ccc(CSc2nnc(-c3ccccc3)n2Cc2ccccc2)c(Cl)c1 ZINC000059484606 568956437 /nfs/dbraw/zinc/95/64/37/568956437.db2.gz SMGKPUXHSGJYHK-UHFFFAOYSA-N 0 0 416.937 5.811 40 30 HKEBRN N#Cc1ccc(CSc2nnc(Cc3ccccc3)n2-c2ccccc2)c(Cl)c1 ZINC000059484608 568956402 /nfs/dbraw/zinc/95/64/02/568956402.db2.gz UHPTYURWTFKFPR-UHFFFAOYSA-N 0 0 416.937 5.675 40 30 HKEBRN N#Cc1ccc(CSc2nc3ccccc3c(=O)n2-c2ccccc2)c(Cl)c1 ZINC000059484613 568956406 /nfs/dbraw/zinc/95/64/06/568956406.db2.gz MNYVJOUXQAMENV-UHFFFAOYSA-N 0 0 403.894 5.203 40 30 HKEBRN N#Cc1ccc(CSc2nc3ccccc3c(=O)n2Cc2ccccc2)c(Cl)c1 ZINC000059484618 568956431 /nfs/dbraw/zinc/95/64/31/568956431.db2.gz HCLRRSYPJRHYLU-UHFFFAOYSA-N 0 0 417.921 5.262 40 30 HKEBRN O=C1/C(=C/c2ccccc2O)S/C(=N\Cc2ccccc2)N1Cc1ccccc1 ZINC000059484860 568707731 /nfs/dbraw/zinc/70/77/31/568707731.db2.gz DKXIQKBFOSSZSS-YWROOUKNSA-N 0 0 400.503 5.065 40 30 HKEBRN COc1ccc(/C=C2\S/C(=N\Cc3ccccc3)N(Cc3ccccc3)C2=O)cc1 ZINC000059484864 568707747 /nfs/dbraw/zinc/70/77/47/568707747.db2.gz LMTHVERUYXQSAF-JTUXUYRKSA-N 0 0 414.530 5.368 40 30 HKEBRN Cc1ccc(-n2nc(-c3ccc(Cl)cc3)cc2/N=C/c2ccc3c(c2)OCO3)cc1 ZINC000059488283 568707698 /nfs/dbraw/zinc/70/76/98/568707698.db2.gz LUOJKEWNVJXNRS-VULFUBBASA-N 0 0 415.880 5.980 40 30 HKEBRN CCOC(=O)c1ccccc1NC(=CC(=O)c1ccc(Br)cc1)CC ZINC000059489022 568707961 /nfs/dbraw/zinc/70/79/61/568707961.db2.gz MNFSECIQVQQQBX-DTQAZKPQSA-N 0 0 402.288 5.215 40 30 HKEBRN CCC(=CC(=O)c1ccc(Br)cc1)Nc1cccc(Br)c1 ZINC000059489024 568707948 /nfs/dbraw/zinc/70/79/48/568707948.db2.gz YRKVCVLNPPPREC-RVDMUPIBSA-N 0 0 409.121 5.800 40 30 HKEBRN C=CCSc1nc2ccc(N3C(=O)c4cccc5cccc(c54)C3=O)cc2s1 ZINC000059489744 568707973 /nfs/dbraw/zinc/70/79/73/568707973.db2.gz SRJDQERKVHYOEX-UHFFFAOYSA-N 0 0 402.500 5.528 40 30 HKEBRN CC(C)CN(CC(C)C)c1ccc([N+](=O)[O-])cc1C=C1C(=O)c2ccccc2C1=O ZINC000059490080 568708225 /nfs/dbraw/zinc/70/82/25/568708225.db2.gz KORZOASSBWCGSF-UHFFFAOYSA-N 0 0 406.482 5.176 40 30 HKEBRN CC(C)CN(CC(C)C)c1ccc(C=C2C(=O)c3ccccc3C2=O)cc1[N+](=O)[O-] ZINC000059490087 568708222 /nfs/dbraw/zinc/70/82/22/568708222.db2.gz HWZJTPWCTZFEOC-UHFFFAOYSA-N 0 0 406.482 5.176 40 30 HKEBRN COc1cc(/C=N/c2ccccc2)ccc1OC(=O)c1sc2ccccc2c1Cl ZINC000059500678 568708393 /nfs/dbraw/zinc/70/83/93/568708393.db2.gz VSNVKLBMTMXOLQ-AFUMVMLFSA-N 0 0 421.905 6.533 40 30 HKEBRN Cc1cccc(/N=C/c2ccc(OC(=O)c3sc4ccccc4c3Cl)cc2)c1 ZINC000059500700 568708405 /nfs/dbraw/zinc/70/84/05/568708405.db2.gz BFDNTZMGVMYFPC-AFUMVMLFSA-N 0 0 405.906 6.833 40 30 HKEBRN Cc1ccc(/N=C/c2ccc(OC(=O)c3sc4ccccc4c3Cl)cc2)cc1 ZINC000059500701 568708364 /nfs/dbraw/zinc/70/83/64/568708364.db2.gz JXJSWIVUPOKEDO-AFUMVMLFSA-N 0 0 405.906 6.833 40 30 HKEBRN Cc1ccccc1/N=C/c1ccc(OC(=O)c2sc3ccccc3c2Cl)cc1 ZINC000059500704 568708389 /nfs/dbraw/zinc/70/83/89/568708389.db2.gz ZZBZRTPYKCWVKW-AFUMVMLFSA-N 0 0 405.906 6.833 40 30 HKEBRN O=C(Oc1ccc(/C=N/c2ccc(O)cc2)cc1)c1sc2ccccc2c1Cl ZINC000059500705 568708349 /nfs/dbraw/zinc/70/83/49/568708349.db2.gz ZUJSWDXOHIXAKS-ZMOGYAJESA-N 0 0 407.878 6.230 40 30 HKEBRN Cc1cccc(/N=C/c2ccccc2OC(=O)c2sc3ccccc3c2Cl)c1 ZINC000059500715 568708384 /nfs/dbraw/zinc/70/83/84/568708384.db2.gz LCCWGQMOVNGNHT-AFUMVMLFSA-N 0 0 405.906 6.833 40 30 HKEBRN Cc1ccc(/N=C/c2ccccc2OC(=O)c2sc3ccccc3c2Cl)cc1 ZINC000059500716 568708481 /nfs/dbraw/zinc/70/84/81/568708481.db2.gz XUPKMHCXXMLNNX-AFUMVMLFSA-N 0 0 405.906 6.833 40 30 HKEBRN Cc1ccccc1/N=C/c1ccccc1OC(=O)c1sc2ccccc2c1Cl ZINC000059500719 568708494 /nfs/dbraw/zinc/70/84/94/568708494.db2.gz MLUCMRPTNJWSLY-AFUMVMLFSA-N 0 0 405.906 6.833 40 30 HKEBRN CCCCc1ccc([C@@H](c2ccccc2)C2([N+](=O)[O-])C(=O)c3ccccc3C2=O)cc1 ZINC000059500987 568708378 /nfs/dbraw/zinc/70/83/78/568708378.db2.gz JGKQSZOQVYWGGQ-HSZRJFAPSA-N 0 0 413.473 5.256 40 30 HKEBRN CCCCc1ccc([C@H](c2ccccc2)C2([N+](=O)[O-])C(=O)c3ccccc3C2=O)cc1 ZINC000059500988 568708361 /nfs/dbraw/zinc/70/83/61/568708361.db2.gz JGKQSZOQVYWGGQ-QHCPKHFHSA-N 0 0 413.473 5.256 40 30 HKEBRN COc1cc(C=NNc2nc3ccccc3s2)ccc1OCc1ccccc1Cl ZINC000059502375 568708670 /nfs/dbraw/zinc/70/86/70/568708670.db2.gz KTOZZYWPCHIXQD-ZMOGYAJESA-N 0 0 423.925 5.983 40 30 HKEBRN O=C1N/C(=N\c2ccccc2Cl)S/C1=C/c1cccc(Oc2ccccc2)c1 ZINC000059502966 568708757 /nfs/dbraw/zinc/70/87/57/568708757.db2.gz WJTXSRUNDYMDAN-XSFVSMFZSA-N 0 0 406.894 6.024 40 30 HKEBRN Cc1ccc(CN=Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)c(C)c1 ZINC000059502993 568708585 /nfs/dbraw/zinc/70/85/85/568708585.db2.gz AOYIYIBKUSLGHY-PCLIKHOPSA-N 0 0 409.497 5.422 40 30 HKEBRN COc1ccc(/C=C2/S/C(=N/c3ccccc3Cl)NC2=O)cc1Br ZINC000059502996 568708662 /nfs/dbraw/zinc/70/86/62/568708662.db2.gz AVJCIUIQJYYMEK-OQLLNIDSSA-N 0 0 423.719 5.003 40 30 HKEBRN O=C1c2ccccc2S/C1=C\c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000059503505 568708715 /nfs/dbraw/zinc/70/87/15/568708715.db2.gz QJYHACGKJDLNOL-NHDPSOOVSA-N 0 0 413.325 6.902 40 30 HKEBRN O=C1/C(=C/c2c(O)ccc3ccccc32)S/C(=N\c2ccccc2)N1c1ccccc1 ZINC000059503515 568708681 /nfs/dbraw/zinc/70/86/81/568708681.db2.gz WNICFJXQORVBCG-HXNPFYCNSA-N 0 0 422.509 6.354 40 30 HKEBRN Cc1ccc(/N=C/c2cccc(OC(=O)c3sc4ccccc4c3Cl)c2)cc1 ZINC000059503596 568708697 /nfs/dbraw/zinc/70/86/97/568708697.db2.gz SFMYDIIVUZRTMP-AFUMVMLFSA-N 0 0 405.906 6.833 40 30 HKEBRN Cc1ccccc1/N=C/c1cccc(OC(=O)c2sc3ccccc3c2Cl)c1 ZINC000059503599 568708634 /nfs/dbraw/zinc/70/86/34/568708634.db2.gz TUOMHRYQKISLAV-AFUMVMLFSA-N 0 0 405.906 6.833 40 30 HKEBRN Cc1cc(C)c(CN=Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)c(C)c1 ZINC000059514435 568708563 /nfs/dbraw/zinc/70/85/63/568708563.db2.gz QKGFQVNRJFVLEH-WGOQTCKBSA-N 0 0 423.524 5.730 40 30 HKEBRN CCOc1cc(C=NNc2nc3ccccc3s2)ccc1OC(=O)c1ccccc1 ZINC000059514490 568708746 /nfs/dbraw/zinc/70/87/46/568708746.db2.gz RSDSKJYWJRGONM-BUVRLJJBSA-N 0 0 417.490 5.360 40 30 HKEBRN O=C1N/C(=N/c2ccccc2Cl)S/C1=C/c1ccccc1OCc1ccccc1 ZINC000059514534 568709048 /nfs/dbraw/zinc/70/90/48/568709048.db2.gz MHOUWDDRVSBIEN-KGENOOAVSA-N 0 0 420.921 5.811 40 30 HKEBRN CC(N=Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1)c1cccs1 ZINC000059514574 568709031 /nfs/dbraw/zinc/70/90/31/568709031.db2.gz YKRPPOWFLFNIRG-JFLMPSFJSA-N 0 0 401.499 5.256 40 30 HKEBRN Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(/N=C/c3cccc4ccccc34)cc1)N2 ZINC000059516418 568709023 /nfs/dbraw/zinc/70/90/23/568709023.db2.gz IGNQGUSSZLCMBY-ICVBSQCJSA-N 0 0 414.552 7.725 40 30 HKEBRN Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(/N=C/c3cccc4ccccc34)cc1)N2 ZINC000059516420 568709063 /nfs/dbraw/zinc/70/90/63/568709063.db2.gz IGNQGUSSZLCMBY-MPMRZIRESA-N 0 0 414.552 7.725 40 30 HKEBRN C=CCOc1ccc(/C=C2\C(=O)N(c3ccc(C(C)C)cc3)C(C)=C2C(=O)OC)cc1 ZINC000059566397 568706710 /nfs/dbraw/zinc/70/67/10/568706710.db2.gz AWNCGJVTAPJPNK-KQWNVCNZSA-N 0 0 417.505 5.252 40 30 HKEBRN C=CCc1cc(/C=C2\S/C(=N/c3cccc(Cl)c3Cl)NC2=O)ccc1O ZINC000059566877 568706680 /nfs/dbraw/zinc/70/66/80/568706680.db2.gz CYWPXRWAOXHQNJ-YBEGLDIGSA-N 0 0 405.306 5.319 40 30 HKEBRN C=CCc1cc(/C=C2\S/C(=N/c3cccc(Cl)c3Cl)NC2=O)ccc1OC ZINC000059566879 568706779 /nfs/dbraw/zinc/70/67/79/568706779.db2.gz QXVRRHAPXFBIOH-BOPFTXTBSA-N 0 0 419.333 5.622 40 30 HKEBRN O=C1N/C(=N\c2cccc(Cl)c2Cl)S/C1=C\c1c(F)cccc1Cl ZINC000059566987 568706811 /nfs/dbraw/zinc/70/68/11/568706811.db2.gz PMZWFPYIEFEJPV-QPEQYQDCSA-N 0 0 401.677 5.678 40 30 HKEBRN Cc1[nH]c2ccccc2c1/C=C1\S/C(=N/c2cccc(Cl)c2Cl)NC1=O ZINC000059567016 568706731 /nfs/dbraw/zinc/70/67/31/568706731.db2.gz CASUHWFZIMPXGY-SXGWCWSVSA-N 0 0 402.306 5.675 40 30 HKEBRN Cc1c(/C=C2\S/C(=N\c3cccc(Cl)c3Cl)NC2=O)c2ccccc2n1C ZINC000059567022 568706668 /nfs/dbraw/zinc/70/66/68/568706668.db2.gz WHRJMJRYICYYJX-YVLHZVERSA-N 0 0 416.333 5.685 40 30 HKEBRN O=[N+]([O-])c1cccc(-c2nc3ccccn3c2/N=C/c2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000059596714 568706688 /nfs/dbraw/zinc/70/66/88/568706688.db2.gz MZHLNRBELCPHKG-WSDLNYQXSA-N 0 0 421.800 5.222 40 30 HKEBRN CCCCCCCCOc1ccc(-c2ccc(OCCCCCCCC)cc2)cc1 ZINC000059608248 558937885 /nfs/dbraw/zinc/93/78/85/558937885.db2.gz JLYWHCZNZZHMSZ-UHFFFAOYSA-N 0 0 410.642 8.832 40 30 HKEBRN CCCCCCCOc1ccc(C(=O)Oc2ccc(-c3ccc(O)cc3)cc2)cc1 ZINC000059608444 558937760 /nfs/dbraw/zinc/93/77/60/558937760.db2.gz HSESQHRSURUNDL-UHFFFAOYSA-N 0 0 404.506 6.628 40 30 HKEBRN CCCCCCCCCCN1C(=O)/C(=C/c2ccc(OCCO)cc2)SC1=S ZINC000059608596 558937752 /nfs/dbraw/zinc/93/77/52/558937752.db2.gz VOIOAOLOJWJCNT-JZJYNLBNSA-N 0 0 421.628 5.400 40 30 HKEBRN CCCCCCCCCCOc1ccc(C=CC(=O)Oc2ccc(C(C)=O)cc2)cc1 ZINC000059608682 558937787 /nfs/dbraw/zinc/93/77/87/558937787.db2.gz XSXSORUQICWBEU-DEDYPNTBSA-N 0 0 422.565 7.028 40 30 HKEBRN O=C(Nc1ccccc1C(F)(F)F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000059608759 558937723 /nfs/dbraw/zinc/93/77/23/558937723.db2.gz FKXICZSCPUXRAF-UHFFFAOYSA-N 0 0 401.228 5.995 40 30 HKEBRN O=C1c2ccccc2C(=O)C1=Cc1cn(Cc2ccc(F)cc2Cl)c2ccccc12 ZINC000059639161 568706739 /nfs/dbraw/zinc/70/67/39/568706739.db2.gz RRCBPZBEUCNZRC-UHFFFAOYSA-N 0 0 415.851 5.945 40 30 HKEBRN CCCCCCCCCCCCCCCCCCNS(=O)(=O)c1cccc(N)c1 ZINC000059662234 558938133 /nfs/dbraw/zinc/93/81/33/558938133.db2.gz JUASIFNPZSLJNM-UHFFFAOYSA-N 0 0 424.695 6.809 40 30 HKEBRN CCCCCCCCC(C)(C)c1ccc2c(c1)OCCOCCOCCOCCO2 ZINC000059663514 519974602 /nfs/dbraw/zinc/97/46/02/519974602.db2.gz SDSHGSSUODONKY-UHFFFAOYSA-N 0 0 422.606 5.536 40 30 HKEBRN CCCCCCCCCCCCCCCCOC(=O)/C=C/c1ccc(C=O)cc1 ZINC000059663665 558938087 /nfs/dbraw/zinc/93/80/87/558938087.db2.gz DFFAYEKWNFNJDR-QZQOTICOSA-N 0 0 400.603 7.537 40 30 HKEBRN CCCCCCCCCCCCCCCCOC(=O)COc1ccc(C=O)cc1 ZINC000059663715 520001629 /nfs/dbraw/zinc/00/16/29/520001629.db2.gz LAPDOEKLJMWWLZ-UHFFFAOYSA-N 0 0 404.591 6.902 40 30 HKEBRN CCCCCCCCOc1ccc(C(=O)Oc2ccc(O)c(C(=O)OC)c2)cc1 ZINC000059663742 558938045 /nfs/dbraw/zinc/93/80/45/558938045.db2.gz HDRHMUPXBJWEAU-UHFFFAOYSA-N 0 0 400.471 5.137 40 30 HKEBRN CCCCCCCOC(=O)C(=Cc1ccc(O)cc1)C(=O)OCCCCCCC ZINC000059664094 558938340 /nfs/dbraw/zinc/93/83/40/558938340.db2.gz IVDQZWZVAKWDAN-UHFFFAOYSA-N 0 0 404.547 5.803 40 30 HKEBRN N#CCOc1ccccc1/C=N/c1sc2c(c1C(=O)Nc1ccccc1)CCCC2 ZINC000059676225 569352366 /nfs/dbraw/zinc/35/23/66/569352366.db2.gz ZSHYHBSWSKUGJA-WGOQTCKBSA-N 0 0 415.518 5.532 40 30 HKEBRN Cn1cc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)c2ccccc21 ZINC000059676402 569352407 /nfs/dbraw/zinc/35/24/07/569352407.db2.gz UUKAWCDXVLEINR-CVKSISIWSA-N 0 0 413.546 6.122 40 30 HKEBRN O=C1N/C(=N/c2ccc(Cl)cc2)S/C1=C\c1cccn1-c1ccc(Cl)cc1 ZINC000059678390 568709836 /nfs/dbraw/zinc/70/98/36/568709836.db2.gz HQBKANOXMCODRI-PDGQHHTCSA-N 0 0 414.317 5.676 40 30 HKEBRN Clc1ccc(Sc2oc(/C=N/Cc3ccccc3)cc2Br)cc1 ZINC000059678514 568709911 /nfs/dbraw/zinc/70/99/11/568709911.db2.gz VESFKBOAPVUHNJ-CIAFOILYSA-N 0 0 406.732 6.466 40 30 HKEBRN Brc1ccc(-n2cccc2/C=N/c2ccc(Nc3ccccc3)cc2)cc1 ZINC000059678715 568709918 /nfs/dbraw/zinc/70/99/18/568709918.db2.gz RZLIHSBOARTDNF-KOEQRZSOSA-N 0 0 416.322 6.734 40 30 HKEBRN O=[N+]([O-])c1cc(/N=C/c2cccn2-c2ccc(Br)cc2)ccc1Cl ZINC000059679142 568709867 /nfs/dbraw/zinc/70/98/67/568709867.db2.gz LPVPUMXSIVHHNT-RGVLZGJSSA-N 0 0 404.651 5.552 40 30 HKEBRN COC(=O)c1cc(/N=C/c2cccn2-c2ccc(Br)cc2)ccc1Cl ZINC000059679710 568710011 /nfs/dbraw/zinc/71/00/11/568710011.db2.gz KDTMZOJCZMBSTG-WSDLNYQXSA-N 0 0 417.690 5.430 40 30 HKEBRN O=[N+]([O-])c1ccc(-c2ccc(/C=N/c3ccc(N4CCOCC4)cc3)o2)c(Cl)c1 ZINC000059714981 568710135 /nfs/dbraw/zinc/71/01/35/568710135.db2.gz SBNSHXIGJMMISM-OEAKJJBVSA-N 0 0 411.845 5.095 40 30 HKEBRN CCCCCCCCOc1cc(S(=O)(=O)NCc2ccccc2)ccc1Cl ZINC000059722875 520041395 /nfs/dbraw/zinc/04/13/95/520041395.db2.gz CLIYYVRJIZTAAD-UHFFFAOYSA-N 0 0 409.979 5.558 40 30 HKEBRN CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)NCCO ZINC000059725655 558462781 /nfs/dbraw/zinc/46/27/81/558462781.db2.gz LISKWSFNVJTQKH-KTKRTIGZSA-N 0 0 409.699 7.473 40 30 in-vitro HKEBRN CCCCCCc1cc(F)c(C#Cc2ccc(-c3ccc(CCC)cc3)cc2)c(F)c1 ZINC000059796859 568933360 /nfs/dbraw/zinc/93/33/60/568933360.db2.gz YORMMDOZDCLCIA-UHFFFAOYSA-N 0 0 416.555 8.107 40 30 HKEBRN O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1 ZINC000059837359 568454434 /nfs/dbraw/zinc/45/44/34/568454434.db2.gz JLIWGTASKHCFPA-UHFFFAOYSA-N 0 0 401.228 5.995 40 30 HKEBRN CCOc1cc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)ccc1OC ZINC000059958947 568709557 /nfs/dbraw/zinc/70/95/57/568709557.db2.gz NWXMNDJVSDRFHC-UHFFFAOYSA-N 0 0 424.537 5.494 40 30 HKEBRN CCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC ZINC000059996635 569053785 /nfs/dbraw/zinc/05/37/85/569053785.db2.gz LVAGMBHLXLZJKZ-UHFFFAOYSA-N 0 0 418.618 7.501 40 30 HKEBRN CCCCCCCCCCCCCCCCCCCCCCCCCCCCCO ZINC000062240772 569053774 /nfs/dbraw/zinc/05/37/74/569053774.db2.gz PKBSGDQYUYBUDY-UHFFFAOYSA-N 0 0 424.798 10.531 40 30 in-vitro HKEBRN CC(C)C[C@@]1(C(=O)Nc2ccccc2)O[C@@]1(C(=O)c1ccc(F)cc1)c1ccccc1 ZINC000065734415 569393235 /nfs/dbraw/zinc/39/32/35/569393235.db2.gz WTTRRISNQAPVTN-IZZNHLLZSA-N 0 0 417.480 5.358 40 30 in-vitro HKEBRN CC(C)C[C@]1(C(=O)Nc2ccccc2)O[C@@]1(C(=O)c1ccc(F)cc1)c1ccccc1 ZINC000065734416 569393269 /nfs/dbraw/zinc/39/32/69/569393269.db2.gz WTTRRISNQAPVTN-CLJLJLNGSA-N 0 0 417.480 5.358 40 30 in-vitro HKEBRN CC(C)C[C@@]1(C(=O)Nc2ccccc2)O[C@]1(C(=O)c1ccc(F)cc1)c1ccccc1 ZINC000065734418 569393225 /nfs/dbraw/zinc/39/32/25/569393225.db2.gz WTTRRISNQAPVTN-UIOOFZCWSA-N 0 0 417.480 5.358 40 30 in-vitro HKEBRN CC(C)C[C@]1(C(=O)Nc2ccccc2)O[C@]1(C(=O)c1ccc(F)cc1)c1ccccc1 ZINC000065734419 569393266 /nfs/dbraw/zinc/39/32/66/569393266.db2.gz WTTRRISNQAPVTN-FTJBHMTQSA-N 0 0 417.480 5.358 40 30 in-vitro HKEBRN C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@@H]2OC(=O)CCC1CCCC1 ZINC000065734938 569393238 /nfs/dbraw/zinc/39/32/38/569393238.db2.gz QPMSXPMLTYTHGM-ZLQWOROUSA-N 0 0 410.598 6.177 40 30 in-vitro HKEBRN C[C@@H](CO)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(=O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000065742912 524770537 /nfs/dbraw/zinc/77/05/37/524770537.db2.gz LFNAJBFFWWMSEW-HNFKANRHSA-N 0 0 416.646 5.540 40 30 in-vitro HKEBRN C[C@H](CCC[C@H](C)CO)[C@H]1CC[C@H]2[C@@H]3C(=O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000065742913 524152533 /nfs/dbraw/zinc/15/25/33/524152533.db2.gz LFNAJBFFWWMSEW-RIZOXDRYSA-N 0 0 416.646 5.540 40 30 in-vitro HKEBRN CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(Cl)cc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000066088820 520808668 /nfs/dbraw/zinc/80/86/68/520808668.db2.gz XRVAAIDJWRYPPZ-QFIPXVFZSA-N 0 0 420.940 5.583 40 30 HKEBRN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(Cl)cc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000066088823 568940771 /nfs/dbraw/zinc/94/07/71/568940771.db2.gz XRVAAIDJWRYPPZ-JOCHJYFZSA-N 0 0 420.940 5.583 40 30 HKEBRN CC1=C(C(=O)OC(C)(C)C)[C@H](c2ccc(Cl)cc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000066088922 568940740 /nfs/dbraw/zinc/94/07/40/568940740.db2.gz MBTWIGKVQFWBRB-IBGZPJMESA-N 0 0 401.934 5.286 40 30 HKEBRN CC1=C(C(=O)OC(C)(C)C)[C@@H](c2ccc(Cl)cc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000066088923 568940642 /nfs/dbraw/zinc/94/06/42/568940642.db2.gz MBTWIGKVQFWBRB-LJQANCHMSA-N 0 0 401.934 5.286 40 30 HKEBRN Cc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)CC(C)(C)C3)[C@@H]2c2ccccc2)c(C)c1 ZINC000066091510 558983584 /nfs/dbraw/zinc/98/35/84/558983584.db2.gz BMTZRNJEZVRQHM-XMMPIXPASA-N 0 0 414.549 5.546 40 30 HKEBRN Cc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)CC(C)(C)C3)[C@H]2c2ccccc2)c(C)c1 ZINC000066091511 558983580 /nfs/dbraw/zinc/98/35/80/558983580.db2.gz BMTZRNJEZVRQHM-DEOSSOPVSA-N 0 0 414.549 5.546 40 30 HKEBRN COc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(Cl)cc1 ZINC000066091542 558983547 /nfs/dbraw/zinc/98/35/47/558983547.db2.gz WYADXOBMBDFRDY-OAQYLSRUSA-N 0 0 419.864 5.132 40 30 HKEBRN COc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(Cl)cc1 ZINC000066091543 558983590 /nfs/dbraw/zinc/98/35/90/558983590.db2.gz WYADXOBMBDFRDY-NRFANRHFSA-N 0 0 419.864 5.132 40 30 HKEBRN Cc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1 ZINC000066091554 558983600 /nfs/dbraw/zinc/98/36/00/558983600.db2.gz QUIDJKZXUZUFEV-HSZRJFAPSA-N 0 0 400.522 5.238 40 30 HKEBRN Cc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1 ZINC000066091555 558983578 /nfs/dbraw/zinc/98/35/78/558983578.db2.gz QUIDJKZXUZUFEV-QHCPKHFHSA-N 0 0 400.522 5.238 40 30 HKEBRN CCCCCCCCCC[C@@H]1CC2=C(O[C@H](CCCCCCC)CC2=O)C(=O)O1 ZINC000067911209 560049530 /nfs/dbraw/zinc/04/95/30/560049530.db2.gz CEMQZGZZHQFZOZ-NHCUHLMSSA-N 0 0 406.607 6.805 40 30 biogenic,in-vitro HKEBRN CCCCCCCCCC[C@H]1CC2=C(O[C@H](CCCCCCC)CC2=O)C(=O)O1 ZINC000067911211 520025497 /nfs/dbraw/zinc/02/54/97/520025497.db2.gz CEMQZGZZHQFZOZ-LEWJYISDSA-N 0 0 406.607 6.805 40 30 biogenic,in-vitro HKEBRN CCCCCCCCCC[C@@H]1CC2=C(O[C@@H](CCCCCCC)CC2=O)C(=O)O1 ZINC000067911213 560049533 /nfs/dbraw/zinc/04/95/33/560049533.db2.gz CEMQZGZZHQFZOZ-RTWAWAEBSA-N 0 0 406.607 6.805 40 30 biogenic,in-vitro HKEBRN CCCCCCCCCC[C@H]1CC2=C(O[C@@H](CCCCCCC)CC2=O)C(=O)O1 ZINC000067911215 560049525 /nfs/dbraw/zinc/04/95/25/560049525.db2.gz CEMQZGZZHQFZOZ-SFTDATJTSA-N 0 0 406.607 6.805 40 30 biogenic,in-vitro HKEBRN CCCCCCCCCCCCCCCCc1ccc2cc3ccccc3cc2c1 ZINC000068563077 558863459 /nfs/dbraw/zinc/86/34/59/558863459.db2.gz AMLHWCWDPHVSHB-UHFFFAOYSA-N 0 0 402.666 10.017 40 30 HKEBRN CCCCCCCCCOC(=O)CSc1nc2ccc(NC(C)=O)cc2s1 ZINC000068564943 558863495 /nfs/dbraw/zinc/86/34/95/558863495.db2.gz LASRSEIIZKSQPZ-UHFFFAOYSA-N 0 0 408.589 5.641 40 30 HKEBRN CC(C)(C)C1=C=C=C(C(C)(C)C)/C=C/C=C(/C(C)(C)C)C#C/C(C(C)(C)C)=C\C=C\1 ZINC000068564962 558861889 /nfs/dbraw/zinc/86/18/89/558861889.db2.gz IBBRIZYHCDDEKE-SAEHEZFYSA-N 0 0 402.666 8.760 40 30 HKEBRN CC(C)(C)/C1=C/C/C=C(/C(C)(C)C)C#C/C(C(C)(C)C)=C\C/C=C(/C(C)(C)C)C#C1 ZINC000068564964 558861923 /nfs/dbraw/zinc/86/19/23/558861923.db2.gz AKOZLDAZLCZMKA-VDWXDDMSSA-N 0 0 404.682 8.677 40 30 HKEBRN CCCCCCCCOc1ccc(/N=N/c2ccc(CCCC)cc2)c(Cl)c1 ZINC000068568973 520042706 /nfs/dbraw/zinc/04/27/06/520042706.db2.gz WXSMFGPMXVJXLJ-CYYJNZCTSA-N 0 0 400.994 8.837 40 30 HKEBRN CCCCCCCCOc1ccc(/N=N/c2ccc(CCCC)cc2)cc1Cl ZINC000068568974 558863406 /nfs/dbraw/zinc/86/34/06/558863406.db2.gz KNNDSPORFSUXSH-CYYJNZCTSA-N 0 0 400.994 8.837 40 30 HKEBRN CCCCCCCC(=O)Oc1ccc(/N=N/c2ccc(CCCC)cc2)cc1Cl ZINC000068568983 519964939 /nfs/dbraw/zinc/96/49/39/519964939.db2.gz RINSKRJJNBDDRH-CYYJNZCTSA-N 0 0 414.977 8.364 40 30 HKEBRN CCCCCCCCCC(=O)Oc1ccc(/N=N/c2ccc(CCCC)cc2)cc1 ZINC000068568985 558863501 /nfs/dbraw/zinc/86/35/01/558863501.db2.gz MUUDLDCCWSSDMA-BYYHNAKLSA-N 0 0 408.586 8.491 40 30 HKEBRN CCCCCCCC(=O)Oc1ccc(/N=N/c2ccc(CCCC)cc2)c(Cl)c1 ZINC000068568991 558863505 /nfs/dbraw/zinc/86/35/05/558863505.db2.gz BZXYGAPQWWVULL-CYYJNZCTSA-N 0 0 414.977 8.364 40 30 HKEBRN CCCCCCCc1ccc(/N=N/c2ccc(OC(=O)OCCCCCC)cc2)cc1 ZINC000068569004 558863500 /nfs/dbraw/zinc/86/35/00/558863500.db2.gz DCVAHRZATBLPPU-BYYHNAKLSA-N 0 0 424.585 8.711 40 30 HKEBRN CCCCCCCCCCc1ccc(/N=N/c2ccc(OCCCCCC)cc2)cc1 ZINC000068569006 558863455 /nfs/dbraw/zinc/86/34/55/558863455.db2.gz XBRRCKJJFMBLAT-QVIHXGFCSA-N 0 0 422.657 9.744 40 30 HKEBRN CCCCCCCCCCc1ccc(/N=N/c2ccc(OCCCCC)cc2)cc1 ZINC000068569009 558863681 /nfs/dbraw/zinc/86/36/81/558863681.db2.gz QKVSGYRQALOXCZ-ZQHSETAFSA-N 0 0 408.630 9.354 40 30 HKEBRN CCCCCCCCCc1ccc(/N=C/c2ccc(OCCCCCC)cc2)cc1 ZINC000068569019 558863641 /nfs/dbraw/zinc/86/36/41/558863641.db2.gz NZAISKFWVKZADQ-RMLRFSFXSA-N 0 0 407.642 8.689 40 30 HKEBRN CCCCCCCCOc1ccc(/C=N/c2ccc(/C=C/C(=O)OCC)cc2)cc1 ZINC000068569021 520042728 /nfs/dbraw/zinc/04/27/28/520042728.db2.gz AODQPEYJWVSBSM-BQMLBISHSA-N 0 0 407.554 6.753 40 30 HKEBRN CCCCCCC[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C ZINC000068571765 558863663 /nfs/dbraw/zinc/86/36/63/558863663.db2.gz IRLPWWSRHJOKPQ-GOSISDBHSA-N 0 0 400.604 5.935 40 30 HKEBRN CN(C)c1ccc(/C=C/C(=O)C(C(=O)c2ccccc2)=C2SCCCS2)cc1 ZINC000068590805 522127516 /nfs/dbraw/zinc/12/75/16/522127516.db2.gz MLEIJDJQGNDHMM-SDNWHVSQSA-N 0 0 409.576 5.300 40 30 HKEBRN C/C(=N\c1ccc(/N=N\c2ccccc2C)c(C)c1C)c1cc2ccccc2oc1=O ZINC000068601607 558863668 /nfs/dbraw/zinc/86/36/68/558863668.db2.gz MYZPFEWCCKCSOS-VMLSEYSDSA-N 0 0 409.489 7.274 40 30 HKEBRN O=C(c1ccccc1)c1ccc(/N=C/c2ccccc2O)c(/N=C/c2ccccc2O)c1 ZINC000068602862 558863861 /nfs/dbraw/zinc/86/38/61/558863861.db2.gz OLZPXPOGHKUMDZ-POAOKBCDSA-N 0 0 420.468 5.830 40 30 HKEBRN O=[N+]([O-])c1ccc(/C=N/c2ccc(-c3ccc(/N=C/c4ccc(O)cc4)cc3)cc2)cc1 ZINC000068603113 558863822 /nfs/dbraw/zinc/86/38/22/558863822.db2.gz ZZSCOBSBVCVPGZ-XUIWWLCJSA-N 0 0 421.456 6.469 40 30 HKEBRN CCCCCCCCCCCCCC(=O)Oc1ccc(/N=C/c2cccnc2)cc1 ZINC000068603346 558863969 /nfs/dbraw/zinc/86/39/69/558863969.db2.gz XVOTWVBPRFKHHZ-XAYXJRQQSA-N 0 0 408.586 7.439 40 30 HKEBRN CCCCCCCCCCCCOc1ccc(/N=C/c2ccc(N(C)C)cc2)cc1 ZINC000068603348 558863937 /nfs/dbraw/zinc/86/39/37/558863937.db2.gz NHOJERJINQFQQG-WEMUOSSPSA-N 0 0 408.630 7.803 40 30 HKEBRN CCCCCCCCSCCCCCCCCCCC(=O)NC1CCCCC1 ZINC000068604199 520045284 /nfs/dbraw/zinc/04/52/84/520045284.db2.gz VZJRMOLANPGNOR-UHFFFAOYSA-N 0 0 411.740 8.040 40 30 HKEBRN Cc1ccc(-c2nn(-c3ccccc3)cc2CN2CCS/C2=N\c2ccccc2)cc1 ZINC000071195243 571304254 /nfs/dbraw/zinc/30/42/54/571304254.db2.gz GFGTYUSAMWINPX-RQZHXJHFSA-N 0 0 424.573 6.084 40 30 HKEBRN c1c(CN2CCS/C2=N\c2ccccc2)c(-c2ccccc2)nn1-c1ccccc1 ZINC000071195290 571304281 /nfs/dbraw/zinc/30/42/81/571304281.db2.gz KROSOGXKCRTNSU-QPLCGJKRSA-N 0 0 410.546 5.776 40 30 HKEBRN CCCCCCCCCCCCCCCCCCN1C(=O)[C@H]2[C@@H]3CC[C@@H](O3)[C@H]2C1=O ZINC000071333929 558896960 /nfs/dbraw/zinc/89/69/60/558896960.db2.gz LQOYKQHSYJNBKA-WAPCQROESA-N 0 0 419.650 6.410 40 30 HKEBRN C=C1C(=C)[C@H]2c3ccccc3[C@@H]1c1c3c(ccc12)C1c2ccccc2C3c2ccccc21 ZINC000071782679 568919376 /nfs/dbraw/zinc/91/93/76/568919376.db2.gz YIZNNYCSUZHZHF-HHIISAQVSA-N 0 0 406.528 7.377 40 30 HKEBRN C=C1C(=C)[C@H]2c3ccccc3[C@@H]1c1ccc3c(c12)C1c2ccccc2C3c2ccccc21 ZINC000071782680 568919367 /nfs/dbraw/zinc/91/93/67/568919367.db2.gz YIZNNYCSUZHZHF-JAJSBUCGSA-N 0 0 406.528 7.377 40 30 HKEBRN CCCCOc1ccc2c(c1)CC[C@@H]1[C@H]3C/C(=C\c4cnn(C)c4)C(=O)[C@]3(C)CC[C@H]21 ZINC000071782833 558805679 /nfs/dbraw/zinc/80/56/79/558805679.db2.gz FBMXLHMQUBYVTL-YBGUEMQDSA-N 0 0 418.581 5.718 40 30 HKEBRN CCCCOc1ccc2c(c1)CC[C@H]1[C@H]3C/C(=C\c4cnn(C)c4)C(=O)[C@]3(C)CC[C@@H]21 ZINC000071782834 558805620 /nfs/dbraw/zinc/80/56/20/558805620.db2.gz FBMXLHMQUBYVTL-MEJQTSFHSA-N 0 0 418.581 5.718 40 30 HKEBRN CCCCOc1ccc2c(c1)CC[C@@H]1[C@H]3C/C(=C\c4cnn(C)c4)C(=O)[C@]3(C)CC[C@@H]21 ZINC000071782835 558805710 /nfs/dbraw/zinc/80/57/10/558805710.db2.gz FBMXLHMQUBYVTL-WPGQDAFGSA-N 0 0 418.581 5.718 40 30 HKEBRN C=C(C)C1(Br)[C@@H]2CC[C@H]1c1c2c(Cl)c(Cl)c(Cl)c1Cl ZINC000071785910 568919197 /nfs/dbraw/zinc/91/91/97/568919197.db2.gz HWHJKAOEJPWZLV-IOETWPSPSA-N 0 0 400.958 6.985 40 30 HKEBRN C=C1/C(=C/C=C2\CCC[C@@]3(C)[C@H]2CC[C@H]3[C@@H](C)CCCC(C)(C)O)C[C@@H](O)C[C@H]1O ZINC000071789635 568919552 /nfs/dbraw/zinc/91/95/52/568919552.db2.gz GMRQFYUYWCNGIN-WGCSYODSSA-N 0 0 416.646 5.705 40 30 in-vitro HKEBRN C=C1/C(=C/C=C2\CCC[C@@]3(C)[C@H]2CC[C@H]3[C@H](C)CCCC(C)(C)O)C[C@@H](O)C[C@H]1O ZINC000071789636 518656914 /nfs/dbraw/zinc/65/69/14/518656914.db2.gz GMRQFYUYWCNGIN-UNZVQHSZSA-N 0 0 416.646 5.705 40 30 in-vitro HKEBRN C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)/C=C\[C@H](C)C(C)(C)O ZINC000071789732 569352520 /nfs/dbraw/zinc/35/25/20/569352520.db2.gz KJKIIUAXZGLUND-HIGRIZEMSA-N 0 0 412.658 6.756 40 30 HKEBRN CCC(C)N=Nc1nc2cc(C)c(NC(=O)Cc3ccc(Cl)cc3)c(C)c2s1 ZINC000072228568 571306662 /nfs/dbraw/zinc/30/66/62/571306662.db2.gz OSZTWCUGXVABFT-MXAYSNPKSA-N 0 0 414.962 5.946 40 30 HKEBRN Cc1cc2nc(N=NC(C)C)sc2c(C)c1NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000072228586 558931610 /nfs/dbraw/zinc/93/16/10/558931610.db2.gz SZFPCTVEOYTLGX-UHFFFAOYSA-N 0 0 408.571 6.271 40 30 HKEBRN CCC(C)N=Nc1nc2cc(C)c(NC(=O)c3ccc(C(C)(C)C)cc3)c(C)c2s1 ZINC000072228587 558931626 /nfs/dbraw/zinc/93/16/26/558931626.db2.gz YMPKTOVCKNRGDJ-DICXZTSXSA-N 0 0 422.598 6.661 40 30 HKEBRN CCC(C)N=Nc1nc2cc(C)c(NC(=O)c3ccc(C(C)C)cc3)c(C)c2s1 ZINC000072228588 558931599 /nfs/dbraw/zinc/93/15/99/558931599.db2.gz OVDJEMDFRNOVOV-YSMPRRRNSA-N 0 0 408.571 6.487 40 30 HKEBRN CCC(C)N=Nc1nc2cc(C)c(NC(=O)c3ccccc3Cl)c(C)c2s1 ZINC000072228595 558931612 /nfs/dbraw/zinc/93/16/12/558931612.db2.gz OQKSABMRZKKRCL-MSXFZWOLSA-N 0 0 400.935 6.017 40 30 HKEBRN CCC(C)N=Nc1nc2cc(C)c(NC(=O)c3cccc(Cl)c3)c(C)c2s1 ZINC000072228602 558931634 /nfs/dbraw/zinc/93/16/34/558931634.db2.gz QQJHOAJSWSNFIN-MSXFZWOLSA-N 0 0 400.935 6.017 40 30 HKEBRN CCC(C)N=Nc1nc2cc(C)c(NC(=O)c3ccc(Cl)cc3)c(C)c2s1 ZINC000072228605 558931608 /nfs/dbraw/zinc/93/16/08/558931608.db2.gz BSEAUMKLLGLEBG-MSXFZWOLSA-N 0 0 400.935 6.017 40 30 HKEBRN Cc1cc2nc(N=NC(C)C)sc2c(C)c1NC(=O)c1ccc(Cl)cc1Cl ZINC000072228618 558931621 /nfs/dbraw/zinc/93/16/21/558931621.db2.gz GUFIRCRDFRFLRC-UHFFFAOYSA-N 0 0 421.353 6.280 40 30 HKEBRN Cc1cc2nc(N=NC(C)C)sc2c(C)c1NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000072228622 519446697 /nfs/dbraw/zinc/44/66/97/519446697.db2.gz OWLAEOXSSLMPSO-UHFFFAOYSA-N 0 0 421.353 6.280 40 30 HKEBRN Cc1cc2nc(N=NC(C)C)sc2c(C)c1NC(=O)c1cc(Cl)ccc1Cl ZINC000072228625 558931636 /nfs/dbraw/zinc/93/16/36/558931636.db2.gz LUDDPJLHZJZWEG-UHFFFAOYSA-N 0 0 421.353 6.280 40 30 HKEBRN CCC(C)N=Nc1nc2cc(C)c(NC(=O)c3cccc4ccccc43)c(C)c2s1 ZINC000072228627 558931638 /nfs/dbraw/zinc/93/16/38/558931638.db2.gz AGRXUUFAMVJITA-DICXZTSXSA-N 0 0 416.550 6.516 40 30 HKEBRN Cc1cc2nc(N=NC(C)C)sc2c(C)c1NC(=O)c1cccc2ccccc21 ZINC000072228628 558931565 /nfs/dbraw/zinc/93/15/65/558931565.db2.gz MGOXPFDNPNVNHY-UHFFFAOYSA-N 0 0 402.523 6.126 40 30 HKEBRN CCC(C)N=Nc1nc2cc(C)c(NC(=O)c3ccc(C)c(Cl)c3)c(C)c2s1 ZINC000072228651 558931766 /nfs/dbraw/zinc/93/17/66/558931766.db2.gz YVQUAXRCHNRTLE-MXAYSNPKSA-N 0 0 414.962 6.325 40 30 HKEBRN Cc1ccc(C(=O)Nc2c(C)cc3nc(N=NC(C)C)sc3c2C)cc1Cl ZINC000072228652 558931725 /nfs/dbraw/zinc/93/17/25/558931725.db2.gz BGGOKASPIACFSD-UHFFFAOYSA-N 0 0 400.935 5.935 40 30 HKEBRN CCCCOc1cccc(C(=O)Nc2c(C)cc3nc(N=NC(C)C)sc3c2C)c1 ZINC000072228686 558931742 /nfs/dbraw/zinc/93/17/42/558931742.db2.gz BIDUGTHZRWETKH-UHFFFAOYSA-N 0 0 424.570 6.152 40 30 HKEBRN CCCOc1cccc(C(=O)Nc2c(C)cc3nc(N=NC(C)C)sc3c2C)c1 ZINC000072228687 558931765 /nfs/dbraw/zinc/93/17/65/558931765.db2.gz DAHBXARAUNBSHD-UHFFFAOYSA-N 0 0 410.543 5.762 40 30 HKEBRN Cc1cc2nc(N=NC(C)C)sc2c(C)c1NC(=O)c1cccc(OC(C)C)c1 ZINC000072228689 558931762 /nfs/dbraw/zinc/93/17/62/558931762.db2.gz HOBCUMUJPJQEIA-UHFFFAOYSA-N 0 0 410.543 5.760 40 30 HKEBRN CCC(C)N=Nc1nc2cc(C)c(NC(=O)c3cccc(OC(C)C)c3)c(C)c2s1 ZINC000072228692 520184475 /nfs/dbraw/zinc/18/44/75/520184475.db2.gz HSIIXRIGLFUNTK-YSMPRRRNSA-N 0 0 424.570 6.150 40 30 HKEBRN CCOc1cccc(C(=O)Nc2c(C)cc3nc(N=NC(C)CC)sc3c2C)c1 ZINC000072228693 521326089 /nfs/dbraw/zinc/32/60/89/521326089.db2.gz OBJRGHRKNJFLKY-QFEZKATASA-N 0 0 410.543 5.762 40 30 HKEBRN CCCOc1cccc(C(=O)Nc2c(C)cc3nc(N=NC(C)CC)sc3c2C)c1 ZINC000072228694 558931735 /nfs/dbraw/zinc/93/17/35/558931735.db2.gz YZQAEGFIRMJOGC-YSMPRRRNSA-N 0 0 424.570 6.152 40 30 HKEBRN CCOc1ccc(C(=O)Nc2c(C)cc3nc(N=NC(C)CC)sc3c2C)cc1 ZINC000072228697 571308980 /nfs/dbraw/zinc/30/89/80/571308980.db2.gz NXOASNORUKIYFD-QFEZKATASA-N 0 0 410.543 5.762 40 30 HKEBRN CCC(C)N=Nc1nc2cc(C)c(NC(=O)c3ccc(OC(C)C)cc3)c(C)c2s1 ZINC000072228698 571306678 /nfs/dbraw/zinc/30/66/78/571306678.db2.gz ZCMSKONGEQUNKG-YSMPRRRNSA-N 0 0 424.570 6.150 40 30 HKEBRN CCCOc1ccc(C(=O)Nc2c(C)cc3nc(N=NC(C)CC)sc3c2C)cc1 ZINC000072228699 571307345 /nfs/dbraw/zinc/30/73/45/571307345.db2.gz CIKWVARCGDEVFP-YSMPRRRNSA-N 0 0 424.570 6.152 40 30 HKEBRN CCCCOc1ccc(C(=O)Nc2c(C)cc3nc(N=NC(C)C)sc3c2C)cc1 ZINC000072228701 571306795 /nfs/dbraw/zinc/30/67/95/571306795.db2.gz VTCVZZKSVUFWPL-UHFFFAOYSA-N 0 0 424.570 6.152 40 30 HKEBRN CCCOc1ccc(C(=O)Nc2c(C)cc3nc(N=NC(C)C)sc3c2C)cc1 ZINC000072228702 571307326 /nfs/dbraw/zinc/30/73/26/571307326.db2.gz ATMLFLWVAJJZRI-UHFFFAOYSA-N 0 0 410.543 5.762 40 30 HKEBRN Cc1cc2nc(N=NC(C)C)sc2c(C)c1NC(=O)c1ccc(OC(C)C)cc1 ZINC000072228704 571305319 /nfs/dbraw/zinc/30/53/19/571305319.db2.gz ABVQYWLTIVLEJI-UHFFFAOYSA-N 0 0 410.543 5.760 40 30 HKEBRN COc1ccc(C(=O)Nc2c(C)cc3nc(N=NC(C)C)sc3c2C)cc1Cl ZINC000072228729 571308834 /nfs/dbraw/zinc/30/88/34/571308834.db2.gz WPNUWMRTMHVUMP-UHFFFAOYSA-N 0 0 416.934 5.635 40 30 HKEBRN CCC(C)N=Nc1nc2cc(C)c(NC(=O)c3cccc(C)c3OC)c(C)c2s1 ZINC000072228746 558931737 /nfs/dbraw/zinc/93/17/37/558931737.db2.gz MGKYOXLMOTXVCS-QFEZKATASA-N 0 0 410.543 5.680 40 30 HKEBRN Cc1cc2nc(N=NC(C)C)sc2c(C)c1NC(=O)COc1ccc(C(C)C)cc1 ZINC000072228791 571305302 /nfs/dbraw/zinc/30/53/02/571305302.db2.gz BORPGLABHDMMEJ-UHFFFAOYSA-N 0 0 424.570 5.862 40 30 HKEBRN CCc1ccc(OCC(=O)Nc2c(C)cc3nc(N=NC(C)CC)sc3c2C)cc1 ZINC000072228793 571306734 /nfs/dbraw/zinc/30/67/34/571306734.db2.gz ZIFZFFKVRIDFEN-YSMPRRRNSA-N 0 0 424.570 5.691 40 30 HKEBRN CCC(C)N=Nc1nc2cc(C)c(NC(=O)COc3cccc(C)c3C)c(C)c2s1 ZINC000072228796 571306649 /nfs/dbraw/zinc/30/66/49/571306649.db2.gz XVMZIAYQEFGNRB-YSMPRRRNSA-N 0 0 424.570 5.745 40 30 HKEBRN CCC(C)N=Nc1nc2cc(C)c(NC(=O)COc3ccc(C)cc3C)c(C)c2s1 ZINC000072228797 571306663 /nfs/dbraw/zinc/30/66/63/571306663.db2.gz SHTCUYRUQFGNOB-QQXSKIMKSA-N 0 0 424.570 5.745 40 30 HKEBRN CCC(C)N=Nc1nc2cc(C)c(NC(=O)COc3ccc(C)c(C)c3)c(C)c2s1 ZINC000072228798 571306675 /nfs/dbraw/zinc/30/66/75/571306675.db2.gz IYASYPWWTYCNGC-QQXSKIMKSA-N 0 0 424.570 5.745 40 30 HKEBRN CCC(C)N=Nc1nc2cc(C)c(NC(=O)COc3cc(C)cc(C)c3)c(C)c2s1 ZINC000072228799 571306704 /nfs/dbraw/zinc/30/67/04/571306704.db2.gz CLKVMPRBWFHLTI-QQXSKIMKSA-N 0 0 424.570 5.745 40 30 HKEBRN CC(C)N=Nc1nc2c(s1)c(Cl)c1nc(N=NC(C)C)sc1c2Cl ZINC000072228983 558931723 /nfs/dbraw/zinc/93/17/23/558931723.db2.gz MSSNRXSTLLHGMG-UHFFFAOYSA-N 0 0 401.348 5.828 40 30 HKEBRN CCC(C)N=Nc1nc2c(s1)c(Cl)c(NC(=O)c1ccccc1)cc2Cl ZINC000072229002 558931741 /nfs/dbraw/zinc/93/17/41/558931741.db2.gz VJCQBOYQANNRSS-RMORIDSASA-N 0 0 407.326 6.053 40 30 HKEBRN CCC(C)N=Nc1nc2c(s1)c(Cl)c(NC(=O)c1cccc(C)c1)cc2Cl ZINC000072229003 558931716 /nfs/dbraw/zinc/93/17/16/558931716.db2.gz BKYZHDNSUCIACG-MYKKPKGFSA-N 0 0 421.353 6.362 40 30 HKEBRN CCC(C)N=Nc1nc2c(s1)c(Cl)c(NC(=O)c1ccccc1C)cc2Cl ZINC000072229004 558931729 /nfs/dbraw/zinc/93/17/29/558931729.db2.gz KYHOPGWVRZFMBU-MYKKPKGFSA-N 0 0 421.353 6.362 40 30 HKEBRN CCC(C)N=Nc1nc2c(s1)c(Cl)c(NC(=O)c1ccc(C)cc1)cc2Cl ZINC000072229005 558931696 /nfs/dbraw/zinc/93/16/96/558931696.db2.gz CGPFXAUAYCJHHZ-MYKKPKGFSA-N 0 0 421.353 6.362 40 30 HKEBRN Cc1ccc(C(=O)Nc2cc(Cl)c3nc(N=NC(C)C)sc3c2Cl)cc1 ZINC000072229006 558931758 /nfs/dbraw/zinc/93/17/58/558931758.db2.gz YIENLHPCZOJERM-UHFFFAOYSA-N 0 0 407.326 5.972 40 30 HKEBRN Cc1cccc(C(=O)Nc2cc(Cl)c3nc(N=NC(C)C)sc3c2Cl)c1 ZINC000072229008 558931700 /nfs/dbraw/zinc/93/17/00/558931700.db2.gz HEYSBNTXZLXGQV-UHFFFAOYSA-N 0 0 407.326 5.972 40 30 HKEBRN Cc1ccccc1C(=O)Nc1cc(Cl)c2nc(N=NC(C)C)sc2c1Cl ZINC000072229009 519445952 /nfs/dbraw/zinc/44/59/52/519445952.db2.gz CFIFURNMCSKGRV-UHFFFAOYSA-N 0 0 407.326 5.972 40 30 HKEBRN CC(C)N=Nc1nc2ccc(NC(=O)c3ccc(Br)cc3)cc2s1 ZINC000072229762 558932076 /nfs/dbraw/zinc/93/20/76/558932076.db2.gz GVBMDINHSOLCOO-UHFFFAOYSA-N 0 0 403.305 5.119 40 30 HKEBRN CCC(C)N=Nc1nc2ccc(NC(=O)c3ccc(Br)cc3)cc2s1 ZINC000072229763 558932019 /nfs/dbraw/zinc/93/20/19/558932019.db2.gz IELKOCNGABEVSW-JJFYIABZSA-N 0 0 417.332 5.509 40 30 HKEBRN CCC(C)N=Nc1nc2ccc(NC(=O)c3cccc(Br)c3)cc2s1 ZINC000072229764 558932082 /nfs/dbraw/zinc/93/20/82/558932082.db2.gz CYETVBKTJVYYFV-JJFYIABZSA-N 0 0 417.332 5.509 40 30 HKEBRN CC(C)N=Nc1nc2ccc(NC(=O)c3cccc(Br)c3)cc2s1 ZINC000072229765 558932052 /nfs/dbraw/zinc/93/20/52/558932052.db2.gz YCYICOQZDITQDU-UHFFFAOYSA-N 0 0 403.305 5.119 40 30 HKEBRN CC(C)N=Nc1nc2ccc(NC(=O)c3ccccc3Br)cc2s1 ZINC000072229766 558932078 /nfs/dbraw/zinc/93/20/78/558932078.db2.gz YIKQWMSERPGRDU-UHFFFAOYSA-N 0 0 403.305 5.119 40 30 HKEBRN CCC(C)N=Nc1nc2ccc(NC(=O)c3ccccc3Br)cc2s1 ZINC000072229767 520184463 /nfs/dbraw/zinc/18/44/63/520184463.db2.gz DAOBUUPMFFAVTC-JJFYIABZSA-N 0 0 417.332 5.509 40 30 HKEBRN CCC(C)N=Nc1nc2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2s1 ZINC000072229768 520183306 /nfs/dbraw/zinc/18/33/06/520183306.db2.gz ALEZPVCJYFKYKM-RMORIDSASA-N 0 0 407.326 6.053 40 30 HKEBRN CCC(C)N=Nc1nc2cc(NC(=O)c3ccc(Cl)cc3Cl)ccc2s1 ZINC000072229805 558932110 /nfs/dbraw/zinc/93/21/10/558932110.db2.gz CZIARDVQMUATEO-RMORIDSASA-N 0 0 407.326 6.053 40 30 HKEBRN c1c(CN2CCS/C2=N\c2ccccc2)c(-c2cccnc2)nn1-c1ccccc1 ZINC000072238852 526398831 /nfs/dbraw/zinc/39/88/31/526398831.db2.gz WMSYWUZSBDNSHD-LCUIJRPUSA-N 0 0 411.534 5.171 40 30 HKEBRN CCCCCCCCOC(=O)CCCCCCC[C@@H]1O[C@@H]1CCCCCCCC ZINC000072400226 558977231 /nfs/dbraw/zinc/97/72/31/558977231.db2.gz FIBARIGPBPUBHC-RPBOFIJWSA-N 0 0 410.683 8.139 40 30 in-vitro HKEBRN CCCCCCCCOC(=O)CCCCCCC[C@@H]1O[C@H]1CCCCCCCC ZINC000072400227 558977044 /nfs/dbraw/zinc/97/70/44/558977044.db2.gz FIBARIGPBPUBHC-DQEYMECFSA-N 0 0 410.683 8.139 40 30 in-vitro HKEBRN CCCCCCCCOC(=O)CCCCCCC[C@H]1O[C@@H]1CCCCCCCC ZINC000072400228 558977223 /nfs/dbraw/zinc/97/72/23/558977223.db2.gz FIBARIGPBPUBHC-JWQCQUIFSA-N 0 0 410.683 8.139 40 30 in-vitro HKEBRN CCCCCCCCOC(=O)CCCCCCC[C@H]1O[C@H]1CCCCCCCC ZINC000072400229 558977200 /nfs/dbraw/zinc/97/72/00/558977200.db2.gz FIBARIGPBPUBHC-LOSJGSFVSA-N 0 0 410.683 8.139 40 30 in-vitro HKEBRN CCCCCCCCCCCCCCCC(=O)OC[C@H](O)COCc1ccccc1 ZINC000072400266 558977215 /nfs/dbraw/zinc/97/72/15/558977215.db2.gz KTMANQJLYZAYIP-RUZDIDTESA-N 0 0 420.634 6.589 40 30 in-vitro HKEBRN CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COCc1ccccc1 ZINC000072400267 558977221 /nfs/dbraw/zinc/97/72/21/558977221.db2.gz KTMANQJLYZAYIP-VWLOTQADSA-N 0 0 420.634 6.589 40 30 in-vitro HKEBRN CSc1ccc(/C=C2\CN(C(C)C)C/C(=C/c3ccc(SC)cc3)C2=O)cc1 ZINC000072408125 559198209 /nfs/dbraw/zinc/19/82/09/559198209.db2.gz GLKXYZIVFBFNNJ-IWXNDQKYSA-N 0 0 409.620 5.891 40 30 HKEBRN CC(C)N1C/C(=C\c2c(F)cccc2Cl)C(=O)/C(=C/c2c(F)cccc2Cl)C1 ZINC000072408144 559198303 /nfs/dbraw/zinc/19/83/03/559198303.db2.gz DBSPPQFBXQMDPD-AOEKMSOUSA-N 0 0 422.302 6.032 40 30 HKEBRN CCCCCCCCCCCCCCCCCC1=[NH+]CCN1CS(=O)(=O)[O-] ZINC000073200066 558986076 /nfs/dbraw/zinc/98/60/76/558986076.db2.gz MVWFXALASWBBHY-UHFFFAOYSA-N 0 0 402.645 5.807 40 30 HKEBRN CCCCCCCCNC(=O)C1=C(C)NC(C)=C(C(=O)NCCCCCCCC)C1 ZINC000073241733 558986084 /nfs/dbraw/zinc/98/60/84/558986084.db2.gz NPCJWXOLULBCOY-UHFFFAOYSA-N 0 0 419.654 5.481 40 30 HKEBRN CCCCCCCCCCCCCCCCCC=C1C(=O)C(=O)CC(OC)C1=O ZINC000073258138 569057322 /nfs/dbraw/zinc/05/73/22/569057322.db2.gz VOJSRSKBOJBZEK-UHFFFAOYSA-N 0 0 406.607 7.132 40 30 HKEBRN CCCCCCCCCCCCCCCCc1c(=O)[nH]c(=S)[nH]c1C(=O)OC ZINC000073293310 558986147 /nfs/dbraw/zinc/98/61/47/558986147.db2.gz DXEKVIVVAIASET-UHFFFAOYSA-N 0 0 410.624 6.655 40 30 HKEBRN CCCCCCCCCCCCCCCCCc1nc(Cl)nc(Cl)c1Cl ZINC000073333438 519999414 /nfs/dbraw/zinc/99/94/14/519999414.db2.gz RPACGXAKBLMJFX-UHFFFAOYSA-N 0 0 421.884 8.851 40 30 HKEBRN C=CCOC(=O)c1ccc2c(c1)c1cc(C(=O)OCC=C)ccc1n2CCC(C)C ZINC000073634146 558809339 /nfs/dbraw/zinc/80/93/39/558809339.db2.gz ZRVNBSCHJQFILE-UHFFFAOYSA-N 0 0 405.494 5.526 40 30 HKEBRN C=CCOC(=O)c1ccc2nc(-c3cc(Br)ccc3Cl)sc2c1 ZINC000073635395 558849185 /nfs/dbraw/zinc/84/91/85/558849185.db2.gz DMGORDHHGSAQGU-UHFFFAOYSA-N 0 0 408.704 5.722 40 30 HKEBRN C#CCOC(=O)c1ccc2nc(-c3cc(Br)ccc3Cl)sc2c1 ZINC000073635400 558849118 /nfs/dbraw/zinc/84/91/18/558849118.db2.gz RGTKPZLJXBRZIU-UHFFFAOYSA-N 0 0 406.688 5.169 40 30 HKEBRN C=CCOC(=O)/C=C/c1ccc(-c2ccc(Br)cc2Br)o1 ZINC000073638349 558849714 /nfs/dbraw/zinc/84/97/14/558849714.db2.gz WDNMSCJXEHVAEU-VMPITWQZSA-N 0 0 412.077 5.214 40 30 HKEBRN CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(C)C ZINC000077256982 290702363 /nfs/dbraw/zinc/70/23/63/290702363.db2.gz MKGZDUKUQPPHFM-LJMPVKHUSA-N 0 0 410.686 8.009 40 30 biogenic,in-vitro HKEBRN CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO)NC(=O)OC(C)(C)C ZINC000077273765 520005652 /nfs/dbraw/zinc/00/56/52/520005652.db2.gz MCEGFLZHNLEUFR-LEWJYISDSA-N 0 0 401.632 5.714 40 30 in-vitro HKEBRN C=C1/C(=C/C=C2\CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C/[C@@H](O)C2CC2)C[C@@H](O)C[C@@H]1O ZINC000077285174 568924106 /nfs/dbraw/zinc/92/41/06/568924106.db2.gz LWQQLNNNIPYSNX-GMGGYIQASA-N 0 0 412.614 5.091 40 30 in-vitro HKEBRN CCCCCCCCCCN(CCO)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000077286507 568924236 /nfs/dbraw/zinc/92/42/36/568924236.db2.gz IJILTKKYTDZGGB-UHFFFAOYSA-N 0 0 423.597 6.371 40 30 in-vitro HKEBRN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](S)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000079367922 519646005 /nfs/dbraw/zinc/64/60/05/519646005.db2.gz QGVQZRDQPDLHHV-VEIPTCAHSA-N 0 0 402.732 8.326 40 30 HKEBRN CC(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@H]4[C@@]3(C)CC[C@H]3C(C)(C)C=CC(=O)[C@@]34C)[C@@H]12 ZINC000079669733 569352532 /nfs/dbraw/zinc/35/25/32/569352532.db2.gz VBJZKTOFAFJBGM-GONHYWAXSA-N 0 0 424.713 8.089 40 30 HKEBRN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)[C@@H]5O[C@@H]5[C@]4(C)[C@H]3CC[C@]12C ZINC000080342432 558825528 /nfs/dbraw/zinc/82/55/28/558825528.db2.gz AVWJZXUEQFMBRC-PELGXNCJSA-N 0 0 402.663 6.456 40 30 HKEBRN COc1cccc(/C=C/C(=O)c2c(=O)[nH]c3ccccc3c2-c2ccccc2)c1OC ZINC000081217800 559032045 /nfs/dbraw/zinc/03/20/45/559032045.db2.gz QEHAREJFZQWFSR-FOCLMDBBSA-N 0 0 411.457 5.108 40 30 HKEBRN CC(C)c1ccc(/C=C2\S/C(=N\c3ccccc3)N(C3CCCCC3)C2=O)cc1 ZINC000083260068 558833141 /nfs/dbraw/zinc/83/31/41/558833141.db2.gz CTALQZKUNUAMFB-PFMNSIPKSA-N 0 0 404.579 6.747 40 30 HKEBRN CC(C)COc1ccc(/C=C2\S/C(=N\c3cccc(Cl)c3Cl)NC2=O)cc1 ZINC000083261129 558833121 /nfs/dbraw/zinc/83/31/21/558833121.db2.gz OPPRDVAUHLSTDP-YVLHZVERSA-N 0 0 421.349 5.920 40 30 HKEBRN CCOc1ccc2ccccc2c1/C=C1/S/C(=N\c2ccc(C)cc2C)NC1=O ZINC000083292144 558833316 /nfs/dbraw/zinc/83/33/16/558833316.db2.gz ALAIFWZLYXPHSX-HYARGMPZSA-N 0 0 402.519 5.747 40 30 HKEBRN CCOc1ccc2ccccc2c1/C=C1/S/C(=N\c2ccc(OC)cc2)NC1=O ZINC000083292149 558833215 /nfs/dbraw/zinc/83/32/15/558833215.db2.gz WHZUKXBQGWSBSC-KGENOOAVSA-N 0 0 404.491 5.139 40 30 HKEBRN CCOc1cc(C=NNc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccccc1F ZINC000083292930 558833297 /nfs/dbraw/zinc/83/32/97/558833297.db2.gz BQIJCEDCVZDEEQ-OYKKKHCWSA-N 0 0 409.417 5.158 40 30 HKEBRN CCOc1cc(C=NNc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc(F)cc1 ZINC000083293124 558833270 /nfs/dbraw/zinc/83/32/70/558833270.db2.gz FFPQPZUYZCJVHO-OYKKKHCWSA-N 0 0 409.417 5.158 40 30 HKEBRN COc1cccc(/C=C2\S/C(=N\c3ccccc3)N(C3CCCCC3)C2=O)c1OC ZINC000083295110 558833257 /nfs/dbraw/zinc/83/32/57/558833257.db2.gz SBYBJKKWKHGQRU-MZHDSZJTSA-N 0 0 422.550 5.641 40 30 HKEBRN Cc1ccc(/C=C2\S/C(=N\c3cccc(Cl)c3Cl)NC2=O)cc1[N+](=O)[O-] ZINC000083295709 558833230 /nfs/dbraw/zinc/83/32/30/558833230.db2.gz KKUOOXBCISQINT-ZSOIEALJSA-N 0 0 408.266 5.102 40 30 HKEBRN COc1cccc(CN=Nc2nc(-c3ccccc3Cl)nc3ccccc32)c1O ZINC000083295837 525777866 /nfs/dbraw/zinc/77/78/66/525777866.db2.gz JBSYXZXIYVVGIG-CFRMEGHHSA-N 0 0 404.857 5.110 40 30 HKEBRN COc1cccc(CN=Nc2nc(-c3ccc(Cl)cc3)nc3ccccc32)c1O ZINC000083295844 558833304 /nfs/dbraw/zinc/83/33/04/558833304.db2.gz CMDIFHILGNCBOO-CFRMEGHHSA-N 0 0 404.857 5.110 40 30 HKEBRN O=C1N/C(=N/c2ccccc2Cl)S/C1=C/c1cccc(OCc2ccccc2)c1 ZINC000083296087 558833278 /nfs/dbraw/zinc/83/32/78/558833278.db2.gz CCMZFBIWVYVAHS-KGENOOAVSA-N 0 0 420.921 5.811 40 30 HKEBRN S=C(N/N=C\c1cn(CCOc2ccccc2)c2ccccc12)Nc1ccccc1 ZINC000083302540 558833314 /nfs/dbraw/zinc/83/33/14/558833314.db2.gz BOIVZOOAJHKHBY-UQQQWYQISA-N 0 0 414.534 5.041 40 30 HKEBRN O=[N+]([O-])c1cc(C=NNc2nc3ccccc3c3ccccc32)ccc1Br ZINC000083308940 558833390 /nfs/dbraw/zinc/83/33/90/558833390.db2.gz ORGNAAHSYOFZIO-UUYOSTAYSA-N 0 0 421.254 5.505 40 30 HKEBRN O=C1N/C(=N\c2cccc(Cl)c2Cl)S/C1=C\c1ccc(Cl)c(Cl)c1 ZINC000083308963 558833381 /nfs/dbraw/zinc/83/33/81/558833381.db2.gz GSMOWQYQIZLYKZ-QPEQYQDCSA-N 0 0 418.132 6.192 40 30 HKEBRN Cc1cc(/C=C2\S/C(=N\c3ccc(C)cc3C)NC2=O)c(C)n1-c1ccc(C)cc1 ZINC000083309681 558833447 /nfs/dbraw/zinc/83/34/47/558833447.db2.gz UYIGRWLFAPSFDB-UCQKPKSFSA-N 0 0 415.562 5.911 40 30 HKEBRN Cc1cc(/C=C2\S/C(=N/c3ccc(C)cc3C)NC2=O)c(C)n1-c1ccccc1 ZINC000083309685 558833436 /nfs/dbraw/zinc/83/34/36/558833436.db2.gz YTPYXDUVXKXXTG-HMAPJEAMSA-N 0 0 401.535 5.603 40 30 HKEBRN Cc1cc(/C=C2\S/C(=N\c3ccc(C)c(C)c3)NC2=O)c(C)n1-c1ccc(C)cc1 ZINC000083309748 558833408 /nfs/dbraw/zinc/83/34/08/558833408.db2.gz JWDTVGVFGSENSY-UCQKPKSFSA-N 0 0 415.562 5.911 40 30 HKEBRN Cc1cc(/C=C2\S/C(=N/c3ccc(C)c(C)c3)NC2=O)c(C)n1-c1ccccc1 ZINC000083309785 558833424 /nfs/dbraw/zinc/83/34/24/558833424.db2.gz JZTHEGCIJTYGJN-HMAPJEAMSA-N 0 0 401.535 5.603 40 30 HKEBRN Cc1cc(/C=C2\S/C(=N\c3cccc(C)c3)NC2=O)c(C)n1-c1ccc(C)cc1 ZINC000083309875 558833385 /nfs/dbraw/zinc/83/33/85/558833385.db2.gz OWJDKWSBBDWALX-HMAPJEAMSA-N 0 0 401.535 5.603 40 30 HKEBRN Cc1cc(/C=C2\S/C(=N/c3cccc(C)c3)NC2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000083309905 558833376 /nfs/dbraw/zinc/83/33/76/558833376.db2.gz HFISDUSVFDTMSJ-BKUYFWCQSA-N 0 0 421.953 5.948 40 30 HKEBRN Cc1cc(/C=C2\S/C(=N/c3ccc(C)cc3)NC2=O)c(C)n1-c1ccc(C)cc1 ZINC000083309944 558833407 /nfs/dbraw/zinc/83/34/07/558833407.db2.gz MCDIDESXWKBBCV-HMAPJEAMSA-N 0 0 401.535 5.603 40 30 HKEBRN Cc1cc(/C=C2\S/C(=N/c3ccc(C)cc3)NC2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000083309947 558833429 /nfs/dbraw/zinc/83/34/29/558833429.db2.gz QGBXTYKSXLUNJO-BKUYFWCQSA-N 0 0 421.953 5.948 40 30 HKEBRN O=[N+]([O-])c1ccc(NN=Cc2ccccc2OCc2ccc(Cl)cc2Cl)cc1 ZINC000083311989 558833608 /nfs/dbraw/zinc/83/36/08/558833608.db2.gz UOKLJTCQXHONSX-FMCGGJTJSA-N 0 0 416.264 5.927 40 30 HKEBRN O=[N+]([O-])c1ccc(NN=Cc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 ZINC000083312013 558833560 /nfs/dbraw/zinc/83/35/60/558833560.db2.gz YGXBZIOKAMOJHT-FMCGGJTJSA-N 0 0 416.264 5.927 40 30 HKEBRN O=[N+]([O-])c1ccc(NN=Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)cc1 ZINC000083312016 558833540 /nfs/dbraw/zinc/83/35/40/558833540.db2.gz OYZBWBCMVNZQOW-FMCGGJTJSA-N 0 0 416.264 5.927 40 30 HKEBRN O=[N+]([O-])c1ccc(NN=Cc2cn(Cc3ccccc3Cl)c3ccccc23)cc1 ZINC000083312019 558833630 /nfs/dbraw/zinc/83/36/30/558833630.db2.gz PYMLYFWENVBIBZ-CFRMEGHHSA-N 0 0 404.857 5.697 40 30 HKEBRN Cn1cc(/C=C2\S/C(=N\c3ccccc3)N(C3CCCCC3)C2=O)c2ccccc21 ZINC000083314215 558833591 /nfs/dbraw/zinc/83/35/91/558833591.db2.gz FBTNHEPBPUOQQV-JTUXUYRKSA-N 0 0 415.562 6.115 40 30 HKEBRN O=C1N/C(=N\c2ccccc2)S/C1=C\c1ccccc1OCc1ccc(F)cc1 ZINC000083315450 558833610 /nfs/dbraw/zinc/83/36/10/558833610.db2.gz KQPULMWPMVXJFJ-STZFKDTASA-N 0 0 404.466 5.296 40 30 HKEBRN COc1ccc(/C=C2\S/C(=N\c3ccccc3)N(C3CCCCC3)C2=O)cc1OC ZINC000083315516 558833545 /nfs/dbraw/zinc/83/35/45/558833545.db2.gz BOMBBRMUOCUISV-WMOWQXFYSA-N 0 0 422.550 5.641 40 30 HKEBRN O=C1N/C(=N\c2ccccc2)S/C1=C\c1ccc(OCc2ccc(F)cc2)cc1 ZINC000083315628 558833567 /nfs/dbraw/zinc/83/35/67/558833567.db2.gz SHJGHMNEJPIMNR-STZFKDTASA-N 0 0 404.466 5.296 40 30 HKEBRN O=C1N/C(=N\c2ccccc2)S/C1=C\c1cccc(OCc2ccc(F)cc2)c1 ZINC000083315775 558833550 /nfs/dbraw/zinc/83/35/50/558833550.db2.gz OYRAMBAPKLKPDQ-STZFKDTASA-N 0 0 404.466 5.296 40 30 HKEBRN COc1cc(C=NNc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccccc1 ZINC000083316252 558833516 /nfs/dbraw/zinc/83/35/16/558833516.db2.gz WXCFVYNKVVELQM-QRVIBDJDSA-N 0 0 411.845 5.282 40 30 HKEBRN Cc1cc(C)cc(C/N=C2\NC(=O)/C(=C/c3ccc(-c4ccc(Cl)cc4)o3)S2)c1 ZINC000083316798 558833528 /nfs/dbraw/zinc/83/35/28/558833528.db2.gz QBVIVVBJDJMLBP-MTJSOVHGSA-N 0 0 422.937 5.977 40 30 HKEBRN Oc1ccc(Br)cc1/C=N\c1ccc(CC23CC4CC(CC(C4)C2)C3)cc1 ZINC000083333845 559051984 /nfs/dbraw/zinc/05/19/84/559051984.db2.gz GZHBNBLEZFDNRE-YSMPRRRNSA-N 0 0 424.382 6.664 40 30 HKEBRN CC(C)(C)c1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nccs2)cc1 ZINC000085409760 559056847 /nfs/dbraw/zinc/05/68/47/559056847.db2.gz ZHDRTMLJWBXZSE-QGZVFWFLSA-N 0 0 424.547 5.285 40 30 HKEBRN CC(C)(C)c1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nccs2)cc1 ZINC000085409761 559056875 /nfs/dbraw/zinc/05/68/75/559056875.db2.gz ZHDRTMLJWBXZSE-KRWDZBQOSA-N 0 0 424.547 5.285 40 30 HKEBRN CC(C)c1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nccs2)cc1 ZINC000085409803 559056862 /nfs/dbraw/zinc/05/68/62/559056862.db2.gz GPHILZMMUVVYSM-QGZVFWFLSA-N 0 0 410.520 5.111 40 30 HKEBRN CC(C)c1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nccs2)cc1 ZINC000085409805 559056837 /nfs/dbraw/zinc/05/68/37/559056837.db2.gz GPHILZMMUVVYSM-KRWDZBQOSA-N 0 0 410.520 5.111 40 30 HKEBRN CCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCC ZINC000085564563 560731611 /nfs/dbraw/zinc/73/16/11/560731611.db2.gz GULIJHQUYGTWSO-UHFFFAOYSA-N 0 0 424.754 9.932 40 30 in-vitro HKEBRN CCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCC ZINC000085810520 559057519 /nfs/dbraw/zinc/05/75/19/559057519.db2.gz BPYWNJQNVNYQSQ-UHFFFAOYSA-N 0 0 400.600 5.715 40 30 HKEBRN CCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCC ZINC000085836408 569063037 /nfs/dbraw/zinc/06/30/37/569063037.db2.gz NCSMRDAYUUPTTK-UHFFFAOYSA-N 0 0 410.727 9.542 40 30 HKEBRN CCCCCCCC/C=C/CCCCCCCC(=O)OCCCCCCCCCC ZINC000086020574 519969004 /nfs/dbraw/zinc/96/90/04/519969004.db2.gz SASYSVUEVMOWPL-FOCLMDBBSA-N 0 0 422.738 9.708 40 30 HKEBRN CC(C)[C@@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(=O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000087493028 559147079 /nfs/dbraw/zinc/14/70/79/559147079.db2.gz LTLKHSBYMNKWPF-WSDDEMAPSA-N 0 0 414.674 6.814 40 30 HKEBRN C=C(C)[C@@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)CC ZINC000087493035 559147107 /nfs/dbraw/zinc/14/71/07/559147107.db2.gz BLMXNQVGERRIAW-LPJPOILFSA-N 0 0 408.670 7.929 40 30 biogenic HKEBRN C=C(C)[C@H](CC)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000087493036 518644618 /nfs/dbraw/zinc/64/46/18/518644618.db2.gz IUJSEAGAJKMVBJ-XJZKHKOHSA-N 0 0 410.686 8.153 40 30 biogenic HKEBRN N#CC(Cc1ccnc(Cl)c1)(Cc1ccnc(Cl)c1)c1ccnc(Cl)c1 ZINC000089261660 559064907 /nfs/dbraw/zinc/06/49/07/559064907.db2.gz XIQTZZCPIPLXJX-UHFFFAOYSA-N 0 0 403.700 5.079 40 30 HKEBRN CCCCc1ccc(-c2ccc(C#Cc3c(F)cc(CCCC)cc3F)cc2)cc1 ZINC000090428869 559053742 /nfs/dbraw/zinc/05/37/42/559053742.db2.gz FJTKLKYXSCOTTL-UHFFFAOYSA-N 0 0 402.528 7.717 40 30 HKEBRN Cc1cc(C(=O)/C=C/c2ccc(/C=C/C(=O)c3cc(C)sc3C)cc2)c(C)s1 ZINC000095101084 526196678 /nfs/dbraw/zinc/19/66/78/526196678.db2.gz IAHIETBDWTXPOB-WGDLNXRISA-N 0 0 406.572 6.835 40 30 HKEBRN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(O)cc3)[C@@H]2c2ccccc2Cl)cc1 ZINC000095101288 568934557 /nfs/dbraw/zinc/93/45/57/568934557.db2.gz YTLXPZNDBUFFCR-OAQYLSRUSA-N 0 0 419.864 5.137 40 30 HKEBRN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(O)cc3)[C@H]2c2ccccc2Cl)cc1 ZINC000095101289 568934521 /nfs/dbraw/zinc/93/45/21/568934521.db2.gz YTLXPZNDBUFFCR-NRFANRHFSA-N 0 0 419.864 5.137 40 30 HKEBRN Cc1cc(OCC(=O)c2ccc(Cl)cc2)nc(SCc2ccccc2)c1C#N ZINC000095117462 568596527 /nfs/dbraw/zinc/59/65/27/568596527.db2.gz ZBNRDIRDJZERES-UHFFFAOYSA-N 0 0 408.910 5.469 40 30 HKEBRN C=CCSc1nc(-c2ccccc2)c2c(c1C(=O)Nc1ccccc1)CCCC2 ZINC000095117545 568596442 /nfs/dbraw/zinc/59/64/42/568596442.db2.gz VCBUCLNLGLIYFO-UHFFFAOYSA-N 0 0 400.547 6.158 40 30 HKEBRN N#CCCSc1nc(-c2ccccc2)c2c(c1C(=O)Nc1ccccc1)CCCC2 ZINC000095117564 568596293 /nfs/dbraw/zinc/59/62/93/568596293.db2.gz KHDXGLMISZSUEN-UHFFFAOYSA-N 0 0 413.546 5.885 40 30 HKEBRN CC(C)c1nc(SCC(=O)c2cc3ccccc3oc2=O)c(C#N)c2c1CCCC2 ZINC000095117595 568596108 /nfs/dbraw/zinc/59/61/08/568596108.db2.gz DWSIOHRTHHQVHR-UHFFFAOYSA-N 0 0 418.518 5.037 40 30 HKEBRN CC(C)c1nc(C(C#N)(C#N)CC(=O)c2ccc(Cl)cc2)c(C#N)c2c1CCCC2 ZINC000095117606 568596438 /nfs/dbraw/zinc/59/64/38/568596438.db2.gz DELUWTZRCLAYFU-UHFFFAOYSA-N 0 0 416.912 5.167 40 30 HKEBRN CCCCCCCCCCCCCCCCCCC[C@H](O)CCCCCCCCC ZINC000095619154 568639598 /nfs/dbraw/zinc/63/95/98/568639598.db2.gz CPGCVOVWHCWVTP-GDLZYMKVSA-N 0 0 424.798 10.530 40 30 endogenous,in-man HKEBRN CCCCCCCC/C=C\CCCCCCCC(=O)OCCCCCCCCCC ZINC000095627927 569062989 /nfs/dbraw/zinc/06/29/89/569062989.db2.gz SASYSVUEVMOWPL-NXVVXOECSA-N 0 0 422.738 9.708 40 30 in-vitro HKEBRN OCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000095681799 559087833 /nfs/dbraw/zinc/08/78/33/559087833.db2.gz PYOIUKBYPXQLLT-UHFFFAOYSA-N 0 0 420.209 5.668 40 30 HKEBRN FC(F)(F)C(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F ZINC000095681835 559087823 /nfs/dbraw/zinc/08/78/23/559087823.db2.gz SEEJHICDPXGSRQ-UHFFFAOYSA-N 0 0 400.056 5.082 40 30 HKEBRN CCCC/C=C/C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000095681840 559087852 /nfs/dbraw/zinc/08/78/52/559087852.db2.gz MROPLCIMSIZRIC-AATRIKPKSA-N 0 0 402.194 6.472 40 30 HKEBRN FC(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)C1(F)F ZINC000095681862 559087836 /nfs/dbraw/zinc/08/78/36/559087836.db2.gz LYMIGLGNHPPIQP-UHFFFAOYSA-N 0 0 400.056 5.082 40 30 HKEBRN CCCCCCCCCCCCCCCCCc1cc(=O)oc2cc(O)ccc12 ZINC000095696903 559087958 /nfs/dbraw/zinc/08/79/58/559087958.db2.gz WYDKAGRKLLDCSY-UHFFFAOYSA-N 0 0 400.603 7.913 40 30 HKEBRN CCCCCCCCOP(OCCCCCCCC)OCCCCCCCC ZINC000095703978 520041046 /nfs/dbraw/zinc/04/10/46/520041046.db2.gz QOQNJVLFFRMJTQ-UHFFFAOYSA-N 0 0 418.643 9.345 40 30 HKEBRN FC(F)(F)C(F)(c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)C(F)(F)F ZINC000095708018 559088062 /nfs/dbraw/zinc/08/80/62/559088062.db2.gz BPGZBMINTWQDOH-UHFFFAOYSA-N 0 0 414.136 6.265 40 30 HKEBRN FC1(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F ZINC000095721994 559088254 /nfs/dbraw/zinc/08/82/54/559088254.db2.gz KYMNDYVYZVFFPQ-UHFFFAOYSA-N 0 0 416.055 5.014 40 30 HKEBRN CCCCCCCCCCOc1ccc(C=O)cc1OCCCCCCCCCC ZINC000095730997 520021353 /nfs/dbraw/zinc/02/13/53/520021353.db2.gz MKLNWOUQGKEWBQ-UHFFFAOYSA-N 0 0 418.662 8.538 40 30 HKEBRN C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@H]4[C@@]3(C)CC[C@H]3C[C@@H](O)CC[C@]43C)[C@@H]12 ZINC000095803967 568651051 /nfs/dbraw/zinc/65/10/51/568651051.db2.gz XQHSXWXRLYHKSF-VFXNRHIGSA-N 0 0 414.674 6.361 40 30 in-vitro HKEBRN CCCCCCCC[C@@H]1O[C@H]1CCCCCCCC(=O)OC[C@@H](CC)CCCC ZINC000095866650 559088691 /nfs/dbraw/zinc/08/86/91/559088691.db2.gz PUYRISKXBBQECH-SDHOMARFSA-N 0 0 410.683 7.995 40 30 HKEBRN CCCCCCCC[C@@H]1O[C@@H]1CCCCCCCC(=O)OC[C@@H](CC)CCCC ZINC000095866653 559088705 /nfs/dbraw/zinc/08/87/05/559088705.db2.gz PUYRISKXBBQECH-CCDWMCETSA-N 0 0 410.683 7.995 40 30 HKEBRN N#Cc1cnc2cnc(CNc3cccnc3)cc2c1Nc1ccc(F)c(Cl)c1 ZINC000095868340 568655406 /nfs/dbraw/zinc/65/54/06/568655406.db2.gz VKILOIWJKHMHKG-UHFFFAOYSA-N 0 0 404.836 5.045 40 30 HKEBRN CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@H]4[C@@]3(C)CC[C@H]3C(C)(C)CCC[C@]43C)[C@@H]2C1 ZINC000095868380 559088701 /nfs/dbraw/zinc/08/87/01/559088701.db2.gz TXXCMYLRDXEQRR-BIEDGCQKSA-N 0 0 424.713 8.377 40 30 biogenic HKEBRN CCCCCCCCOP(=O)(/C=C/c1ccccc1)OCCCCCCCC ZINC000095876288 559088779 /nfs/dbraw/zinc/08/87/79/559088779.db2.gz QJBHYQLPZLPAPU-BSYVCWPDSA-N 0 0 408.563 8.605 40 30 HKEBRN C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@H]2OC(=O)CCC1CCCC1 ZINC000095889723 525353256 /nfs/dbraw/zinc/35/32/56/525353256.db2.gz HPFVBGJFAYZEBE-YNHSGCSHSA-N 0 0 412.614 6.401 40 30 HKEBRN CC(C)(C)C(=O)OCC(=O)[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000095889730 568657755 /nfs/dbraw/zinc/65/77/55/568657755.db2.gz VVOIQBFMTVCINR-AKRRVSFLSA-N 0 0 414.586 5.293 40 30 world HKEBRN CCCCCCCCC(=O)OCCCOCCCOC(=O)CCCCCCCC ZINC000095903606 559088734 /nfs/dbraw/zinc/08/87/34/559088734.db2.gz QNQFILNCKAALEB-UHFFFAOYSA-N 0 0 414.627 6.371 40 30 HKEBRN C=C1CC[C@H](O)C/C1=C/C=C1/CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)/C=C/[C@H](C)C(C)(C)O ZINC000095908700 569352558 /nfs/dbraw/zinc/35/25/58/569352558.db2.gz KJKIIUAXZGLUND-NZMMWSKFSA-N 0 0 412.658 6.756 40 30 HKEBRN CCCCCCCCCCCCCCCCCCCCCC[C@@H](O)C(=O)OCC ZINC000096023591 559089679 /nfs/dbraw/zinc/08/96/79/559089679.db2.gz XNIPTMIZKFSVOJ-RUZDIDTESA-N 0 0 412.699 8.122 40 30 biogenic HKEBRN CCCCCCCCCCCCCCCCCCCCCc1cc(O)cc(OC)c1 ZINC000096023761 559089722 /nfs/dbraw/zinc/08/97/22/559089722.db2.gz AOJHEUTVUIWPNX-UHFFFAOYSA-N 0 0 418.706 9.375 40 30 biogenic HKEBRN Cc1ccccc1[C@@H]1c2ccccc2OC(c2ccccc2)C1=CN=Nc1ccccc1 ZINC000096113525 525395722 /nfs/dbraw/zinc/39/57/22/525395722.db2.gz ITULBBUZRBTQIP-WVGJAKOGSA-N 0 0 416.524 7.029 40 30 HKEBRN Clc1ccc(-c2ccc(/C=N/N=C/c3ccc(-c4ccc(Cl)cc4)o3)o2)cc1 ZINC000096193249 526933370 /nfs/dbraw/zinc/93/33/70/526933370.db2.gz IMFNTNWMNWUHNE-BKHCZYBLSA-N 0 0 409.272 6.966 40 30 HKEBRN CCCCCCCC/C=C\CCCCCCCC(=O)NCc1cccc(OC)c1 ZINC000096282635 560060483 /nfs/dbraw/zinc/06/04/83/560060483.db2.gz ZMKZIKHBSPDWEF-KHPPLWFESA-N 0 0 401.635 7.349 40 30 biogenic,in-vitro HKEBRN Cc1ccc(-c2ccc(-c3c(C#N)c4sc5ccccc5n4c(=O)c3C#N)o2)cc1 ZINC000096306134 568723676 /nfs/dbraw/zinc/72/36/76/568723676.db2.gz UUGDXMPBGRZGKL-UHFFFAOYSA-N 0 0 407.454 5.493 40 30 HKEBRN O=C(/C=C/c1ccccc1)C[C@@H](c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000096306178 568723659 /nfs/dbraw/zinc/72/36/59/568723659.db2.gz GDKSQHZNPZLJKS-UDFXALJUSA-N 0 0 410.922 5.528 40 30 HKEBRN O=C(/C=C/c1ccccc1)C[C@H](c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000096306179 527630314 /nfs/dbraw/zinc/63/03/14/527630314.db2.gz GDKSQHZNPZLJKS-RBNVVWFDSA-N 0 0 410.922 5.528 40 30 HKEBRN Fc1ccccc1/N=c1/scc(-c2ccccc2Cl)n1/N=C/c1cccnc1 ZINC000096400493 569049560 /nfs/dbraw/zinc/04/95/60/569049560.db2.gz XTXCXTGSHXKEMA-LPUPHVAQSA-N 0 0 408.889 5.519 40 30 HKEBRN C(=[NH+][N-]c1ccc2ccccc2n1)C1=C(N2CCOCC2)C(=Cc2ccccc2)CC1 ZINC000096400897 568721770 /nfs/dbraw/zinc/72/17/70/568721770.db2.gz VNLLGUZUZFATLX-YHBKODBMSA-N 0 0 410.521 5.096 40 30 HKEBRN Oc1ccc(/C=N/N=c2/scc(-c3ccc(Cl)cc3)n2-c2ccccc2)cc1 ZINC000096401680 526340251 /nfs/dbraw/zinc/34/02/51/526340251.db2.gz QPKMDOKMJJEBAF-ZUOQFLAMSA-N 0 0 405.910 5.500 40 30 HKEBRN C=CCN1C(=O)C(=Cc2ccc(Sc3ccc(Cl)cc3)s2)C(=O)NC1=S ZINC000096477492 568721785 /nfs/dbraw/zinc/72/17/85/568721785.db2.gz ZIOSTZATYYMAIS-UVTDQMKNSA-N 0 0 420.968 5.206 40 30 HKEBRN CC[C@H](C)CN1C(=O)/C(=C/c2ccc(C)c([N+](=O)[O-])c2)S/C1=N\c1ccccc1 ZINC000096569898 523878744 /nfs/dbraw/zinc/87/87/44/523878744.db2.gz ZKXIBAPBUKLSKR-SIUUDVKWSA-N 0 0 409.511 5.553 40 30 HKEBRN CCc1cc2c3c(c1)[C@@H](C)CC(C)(C)N3C(=O)/C2=N\c1ccc(Oc2ccccc2)cc1 ZINC000096868684 523851360 /nfs/dbraw/zinc/85/13/60/523851360.db2.gz KVUCRAMYIJSUMC-ATRNVFDJSA-N 0 0 424.544 6.795 40 30 HKEBRN CCc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)/C2=N\c1ccc(Oc2ccccc2)cc1 ZINC000096868685 523851492 /nfs/dbraw/zinc/85/14/92/523851492.db2.gz KVUCRAMYIJSUMC-XPMRTLDXSA-N 0 0 424.544 6.795 40 30 HKEBRN CCOC(=O)c1ccc(/N=C2/c3cc(CC)cc4c3N(C2=O)C(C)(C)C[C@@H]4C)cc1 ZINC000096868686 559112474 /nfs/dbraw/zinc/11/24/74/559112474.db2.gz PMXNLDSYQRCAGY-UZGAPFOWSA-N 0 0 404.510 5.179 40 30 HKEBRN CCOC(=O)c1ccc(/N=C2/c3cc(CC)cc4c3N(C2=O)C(C)(C)C[C@H]4C)cc1 ZINC000096868687 559112538 /nfs/dbraw/zinc/11/25/38/559112538.db2.gz PMXNLDSYQRCAGY-IAIVQWBNSA-N 0 0 404.510 5.179 40 30 HKEBRN CC(=O)Oc1c(C(C)C)cc2c(c1OC(C)=O)[C@@]1(C)CCCC(C)(C)C1C(=O)C2=O ZINC000096932985 291283616 /nfs/dbraw/zinc/28/36/16/291283616.db2.gz LXMVTMUQCSMREC-XMMPIXPASA-N 0 0 414.498 5.137 40 30 biogenic,in-vitro HKEBRN C[C@]12CC[C@H]3[C@@H](CC[C@H]4CCCC[C@@]43C)[C@@H]1C/C(=C\c1ccc([N+](=O)[O-])cc1)C2=O ZINC000097528781 525353557 /nfs/dbraw/zinc/35/35/57/525353557.db2.gz KPMMIZLQECJQJE-OUJPLRSTSA-N 0 0 407.554 6.590 40 30 HKEBRN CCCCCCCOC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1C[C@@H](C)C[C@H](C)C1 ZINC000097953119 560756734 /nfs/dbraw/zinc/75/67/34/560756734.db2.gz QNDWKEZNHNXNOO-UFYCRDLUSA-N 0 0 422.573 5.233 40 30 HKEBRN CCCCCCCCCCCC[C@H](Oc1ccc(O)c(C(C)(C)C)c1)C(=O)OCC ZINC000097957594 559125181 /nfs/dbraw/zinc/12/51/81/559125181.db2.gz USQBFMHVASTQGU-DEOSSOPVSA-N 0 0 420.634 7.311 40 30 HKEBRN CCCCCCCCCCCC[C@@H](Oc1ccc(O)c(C(C)(C)C)c1)C(=O)OCC ZINC000097957595 559125152 /nfs/dbraw/zinc/12/51/52/559125152.db2.gz USQBFMHVASTQGU-XMMPIXPASA-N 0 0 420.634 7.311 40 30 HKEBRN CCCCCCCC1=NN2C(=NC(=O)/C(=C\c3c(C)[nH]c4ccccc34)C2=N)S1 ZINC000097964980 558994287 /nfs/dbraw/zinc/99/42/87/558994287.db2.gz QGOMEFJLHBODMB-HVZAKDRGSA-N 0 0 407.543 5.456 40 30 HKEBRN Fc1ccc(-c2ccc(CN=Nc3c(F)c(F)c(C(F)(F)F)c(F)c3F)o2)cc1 ZINC000097972312 559125372 /nfs/dbraw/zinc/12/53/72/559125372.db2.gz WGCBJKGGMQHWKL-OAHLVZFQSA-N 0 0 420.259 6.107 40 30 HKEBRN CCCCCCCCOc1ccc(C=NNc2ccnc3cc(Cl)ccc32)cc1 ZINC000097980754 569050060 /nfs/dbraw/zinc/05/00/60/569050060.db2.gz WZMSJLHRJJNACJ-OVVQPSECSA-N 0 0 409.961 7.074 40 30 HKEBRN O=[N+]([O-])c1ccc(-c2ccc(CN=Nc3ccc(C(F)(F)F)cc3[N+](=O)[O-])o2)cc1 ZINC000097991480 568723385 /nfs/dbraw/zinc/72/33/85/568723385.db2.gz SKTNRORUOKHXMG-YVNNLAQVSA-N 0 0 420.303 5.228 40 30 HKEBRN CCc1ccc(/N=C2/S/C(=C/c3ccc(Cl)cc3)C(=O)N2CCCOC)cc1 ZINC000097995171 523875165 /nfs/dbraw/zinc/87/51/65/523875165.db2.gz XGXFIZRVCNZHLO-WJGQKVTCSA-N 0 0 414.958 5.543 40 30 HKEBRN CCCCCCCCCCCCCCCCCC(=O)N[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000098001626 519991904 /nfs/dbraw/zinc/99/19/04/519991904.db2.gz RUCRANXFIYJBTG-LOSJGSFVSA-N 0 0 407.727 8.579 40 30 HKEBRN CCCCCCCCCCCCCCCCCC(=O)N[C@H]1C[C@H](C)CC(C)(C)C1 ZINC000098001627 568940366 /nfs/dbraw/zinc/94/03/66/568940366.db2.gz RUCRANXFIYJBTG-DQEYMECFSA-N 0 0 407.727 8.579 40 30 HKEBRN CCCCCCCCCCCCCCCCCC(=O)N[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000098001628 519993543 /nfs/dbraw/zinc/99/35/43/519993543.db2.gz RUCRANXFIYJBTG-JWQCQUIFSA-N 0 0 407.727 8.579 40 30 HKEBRN CCCCCCCCCCCCCCCCCC(=O)N[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000098001629 568940309 /nfs/dbraw/zinc/94/03/09/568940309.db2.gz RUCRANXFIYJBTG-RPBOFIJWSA-N 0 0 407.727 8.579 40 30 HKEBRN CCCCCCCCCCCCCCCCOC(=O)CC(Cl)=C(Cl)Cl ZINC000098005215 568940289 /nfs/dbraw/zinc/94/02/89/568940289.db2.gz JSADBUDDQVQWFU-UHFFFAOYSA-N 0 0 413.857 8.287 40 30 HKEBRN CCCCCCCCCCCCCCCOC(=O)c1nsc(Cl)c1Cl ZINC000098006134 568940378 /nfs/dbraw/zinc/94/03/78/568940378.db2.gz HTKLTEPXKKXRME-UHFFFAOYSA-N 0 0 408.435 7.698 40 30 HKEBRN CCCCCCCCN1C(=O)c2[nH]nc(-c3ccc(Cl)cc3)c2[C@H]1c1ccccc1 ZINC000098008947 568940293 /nfs/dbraw/zinc/94/02/93/568940293.db2.gz MQHGAGMPMHQQAN-XMMPIXPASA-N 0 0 421.972 6.636 40 30 HKEBRN CCCCCCCCN1C(=O)c2[nH]nc(-c3ccc(Cl)cc3)c2[C@@H]1c1ccccc1 ZINC000098008948 568940343 /nfs/dbraw/zinc/94/03/43/568940343.db2.gz MQHGAGMPMHQQAN-DEOSSOPVSA-N 0 0 421.972 6.636 40 30 HKEBRN CCCCCCCCN1C(=O)c2[nH]nc(-c3ccc(OC)cc3)c2[C@H]1c1ccccc1 ZINC000098008949 568940310 /nfs/dbraw/zinc/94/03/10/568940310.db2.gz JOGZSNJPAGKFGP-RUZDIDTESA-N 0 0 417.553 5.991 40 30 HKEBRN CCCCCCCCN1C(=O)c2[nH]nc(-c3ccc(OC)cc3)c2[C@@H]1c1ccccc1 ZINC000098008950 568940284 /nfs/dbraw/zinc/94/02/84/568940284.db2.gz JOGZSNJPAGKFGP-VWLOTQADSA-N 0 0 417.553 5.991 40 30 HKEBRN CCCCCCCCCOc1ccc([C@H]2NC(=S)N=C(C)C2C(=O)OCC)cc1 ZINC000098042745 520028884 /nfs/dbraw/zinc/02/88/84/520028884.db2.gz RXAGPTDAMGKJKY-OAQYLSRUSA-N 0 0 418.603 5.172 40 30 HKEBRN CCCCCCCCCOc1ccc([C@@H]2NC(=S)N=C(C)C2C(=O)OCC)cc1 ZINC000098042746 520029710 /nfs/dbraw/zinc/02/97/10/520029710.db2.gz RXAGPTDAMGKJKY-NRFANRHFSA-N 0 0 418.603 5.172 40 30 HKEBRN CCCCCCCCCCOc1ccc(C(=O)Nc2ccc(NC(C)=O)cc2)cc1 ZINC000098042977 559126228 /nfs/dbraw/zinc/12/62/28/559126228.db2.gz QDGFORYGIMAJHH-UHFFFAOYSA-N 0 0 410.558 6.417 40 30 HKEBRN Cc1nc2cnc3ccc(Br)cc3c2n1-c1ccc(C(C)(C)C#N)cc1 ZINC000098181636 568723430 /nfs/dbraw/zinc/72/34/30/568723430.db2.gz FLNZOSVLPXDSKI-UHFFFAOYSA-N 0 0 405.299 5.446 40 30 HKEBRN C=C1/C(=C\C=C2\CCC[C@@]3(C)[C@H]2CC[C@H]3[C@H](C)CCCC(C)(C)O)C[C@H](O)C[C@@H]1O ZINC000100014603 568418377 /nfs/dbraw/zinc/41/83/77/568418377.db2.gz GMRQFYUYWCNGIN-PRQPRHPCSA-N 0 0 416.646 5.705 40 30 in-vitro HKEBRN C=C1/C(=C\C=C2\CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@@H](C)CCCC(C)(C)O)C[C@H](O)C[C@@H]1O ZINC000100014605 568418411 /nfs/dbraw/zinc/41/84/11/568418411.db2.gz GMRQFYUYWCNGIN-NGZLFHQVSA-N 0 0 416.646 5.705 40 30 in-vitro HKEBRN C=C1/C(=C\C=C2\CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O)C[C@H](O)C[C@@H]1O ZINC000100014609 518657773 /nfs/dbraw/zinc/65/77/73/518657773.db2.gz GMRQFYUYWCNGIN-CORNJWGPSA-N 0 0 416.646 5.705 40 30 in-vitro HKEBRN CCCCCCCCCC(=O)Nc1ccc(C(=O)Nc2ccccc2OCC)cc1 ZINC000100025458 559128734 /nfs/dbraw/zinc/12/87/34/559128734.db2.gz UDNNYDMTEIWGRO-UHFFFAOYSA-N 0 0 410.558 6.417 40 30 HKEBRN CCCCCCCCCCCNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 ZINC000100025465 559128719 /nfs/dbraw/zinc/12/87/19/559128719.db2.gz CZKFHRMJGGVZRH-UHFFFAOYSA-N 0 0 400.607 6.466 40 30 HKEBRN CCCCCCCCCCCCNC(=O)c1cccc(NC(=O)c2cccc(C)c2)c1 ZINC000100028499 559128766 /nfs/dbraw/zinc/12/87/66/559128766.db2.gz GDUUCPMXPFTBKC-UHFFFAOYSA-N 0 0 422.613 6.898 40 30 HKEBRN CCCCCCCCCCCCOC(=O)[C@@H](C)OC(=O)c1ccc(Cl)c(N)c1 ZINC000100037642 559129090 /nfs/dbraw/zinc/12/90/90/559129090.db2.gz KVBTUIKKMVJZEF-QGZVFWFLSA-N 0 0 411.970 5.932 40 30 HKEBRN CCCCCCCCCCCCOC(=O)[C@H](C)OC(=O)c1ccc(Cl)c(N)c1 ZINC000100037643 559129088 /nfs/dbraw/zinc/12/90/88/559129088.db2.gz KVBTUIKKMVJZEF-KRWDZBQOSA-N 0 0 411.970 5.932 40 30 HKEBRN CCCCCCCCCCOc1cc2c(cc1OCC)NC=C(C(=O)OCC)[C@@H]2O ZINC000100038206 559129111 /nfs/dbraw/zinc/12/91/11/559129111.db2.gz RSRHQRPZSHOGSB-HSZRJFAPSA-N 0 0 419.562 5.511 40 30 HKEBRN CCCCCCCCCCOc1cc2c(cc1OCC)NC=C(C(=O)OCC)[C@H]2O ZINC000100038208 520021190 /nfs/dbraw/zinc/02/11/90/520021190.db2.gz RSRHQRPZSHOGSB-QHCPKHFHSA-N 0 0 419.562 5.511 40 30 HKEBRN C=CCOCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000100042947 518981756 /nfs/dbraw/zinc/98/17/56/518981756.db2.gz GPVGUNIIVWJTLK-UHFFFAOYSA-N 0 0 404.166 5.318 40 30 HKEBRN CCCCCCCCCCCCOP(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000100044728 559116166 /nfs/dbraw/zinc/11/61/66/559116166.db2.gz DLZXXNAEQGRWPX-UHFFFAOYSA-N 0 0 418.514 8.190 40 30 HKEBRN OCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000100045488 559129223 /nfs/dbraw/zinc/12/92/23/559129223.db2.gz SMQWZVBJTNTJHH-UHFFFAOYSA-N 0 0 406.182 5.278 40 30 HKEBRN FC(F)(F)C(Oc1cccc(OC(C(F)(F)F)C(F)(F)F)c1)C(F)(F)F ZINC000100045625 559129211 /nfs/dbraw/zinc/12/92/11/559129211.db2.gz UHARMWKZVXCQBT-UHFFFAOYSA-N 0 0 410.154 5.431 40 30 HKEBRN FC(F)[C@](F)(C(F)(F)F)C(F)(F)C(C(F)(F)F)(C(F)(F)F)C(F)(F)F ZINC000100048622 527698950 /nfs/dbraw/zinc/69/89/50/527698950.db2.gz OKPPOETXRULRPA-UWTATZPHSA-N 0 0 420.062 5.831 40 30 HKEBRN FC(F)[C@@](F)(C(F)(F)F)C(F)(F)C(C(F)(F)F)(C(F)(F)F)C(F)(F)F ZINC000100048625 559129215 /nfs/dbraw/zinc/12/92/15/559129215.db2.gz OKPPOETXRULRPA-REOHCLBHSA-N 0 0 420.062 5.831 40 30 HKEBRN CCCCCCCCC(=O)OC[C@H](C)OC[C@@H](C)OC(=O)CCCCCCCC ZINC000100050296 519973981 /nfs/dbraw/zinc/97/39/81/519973981.db2.gz FJSNTQXNQNSZJS-FCHUYYIVSA-N 0 0 414.627 6.368 40 30 HKEBRN CCCCCCCCC(=O)OC[C@@H](C)OC[C@@H](C)OC(=O)CCCCCCCC ZINC000100050298 559129182 /nfs/dbraw/zinc/12/91/82/559129182.db2.gz FJSNTQXNQNSZJS-FGZHOGPDSA-N 0 0 414.627 6.368 40 30 HKEBRN CCCCCCCCC(=O)OC[C@H](C)OC[C@H](C)OC(=O)CCCCCCCC ZINC000100050300 559129176 /nfs/dbraw/zinc/12/91/76/559129176.db2.gz FJSNTQXNQNSZJS-VXKWHMMOSA-N 0 0 414.627 6.368 40 30 HKEBRN CCCCCCCCC(=O)OC[C@@H](C)OC[C@H](C)OC(=O)CCCCCCCC ZINC000100050303 519973826 /nfs/dbraw/zinc/97/38/26/519973826.db2.gz FJSNTQXNQNSZJS-YADHBBJMSA-N 0 0 414.627 6.368 40 30 HKEBRN C[C@H]1O[C@H](C)[C@H](C(C(F)(F)F)C(F)(F)F)O[C@@H]1C(C(F)(F)F)C(F)(F)F ZINC000100053159 559129286 /nfs/dbraw/zinc/12/92/86/559129286.db2.gz GADARVPRNLRGMP-KAZBKCHUSA-N 0 0 416.202 5.029 40 30 HKEBRN Fc1ccc(-c2cs/c(=N\N=C\c3ccc4c(c3)OCO4)n2-c2ccccc2)cc1 ZINC000100053626 569010034 /nfs/dbraw/zinc/01/00/34/569010034.db2.gz KXBFNYPAGGCKTG-SCHRPIHLSA-N 0 0 417.465 5.008 40 30 HKEBRN O=C(COc1ccc(/C=N\c2ccc(Br)cc2)cc1)Nc1ccccc1 ZINC000100055544 560723673 /nfs/dbraw/zinc/72/36/73/560723673.db2.gz YFTRDZXPAKCQPL-UCQKPKSFSA-N 0 0 409.283 5.217 40 30 HKEBRN O=C(COc1ccc(/C=N\c2ccc(Br)cc2)cc1)NC1CCCCC1 ZINC000100055547 526946840 /nfs/dbraw/zinc/94/68/40/526946840.db2.gz SQASBVSZMYPQGA-UCQKPKSFSA-N 0 0 415.331 5.027 40 30 HKEBRN CCCCCCCCCCCCCCCCCC(=O)OCCOCCOCCO ZINC000100055852 559129282 /nfs/dbraw/zinc/12/92/82/559129282.db2.gz QKSBICQDOPKLQM-UHFFFAOYSA-N 0 0 416.643 5.817 40 30 HKEBRN CCCCCCCCCCCCCCCCCCCCCC[C@H](O)C(=O)OCC ZINC000100059350 519995439 /nfs/dbraw/zinc/99/54/39/519995439.db2.gz XNIPTMIZKFSVOJ-VWLOTQADSA-N 0 0 412.699 8.122 40 30 HKEBRN C=CCn1c(-c2cc3ccccc3oc2=O)cs/c1=N/c1cccc2ccccc21 ZINC000100060677 569010416 /nfs/dbraw/zinc/01/04/16/569010416.db2.gz JRPDGROJXUSUIP-OCEACIFDSA-N 0 0 410.498 5.895 40 30 HKEBRN C=CCCCCCCCCCCCCCCCCCCCCCCCCCCCC ZINC000100069872 518700981 /nfs/dbraw/zinc/70/09/81/518700981.db2.gz WMZHDICSCDKPFS-UHFFFAOYSA-N 0 0 420.810 11.725 40 30 HKEBRN CCCCCCCCOc1ccc(OC(=O)c2ccc(OCCCCC)cc2)cc1 ZINC000100073794 559129677 /nfs/dbraw/zinc/12/96/77/559129677.db2.gz VDTCVKLVMVTSMC-UHFFFAOYSA-N 0 0 412.570 7.214 40 30 HKEBRN CCCCCCCCCCc1cnc(-c2ccc(OCCCCCCCC)cc2)nc1 ZINC000100073854 520025463 /nfs/dbraw/zinc/02/54/63/520025463.db2.gz LIIWGEPQAZKMBX-UHFFFAOYSA-N 0 0 424.673 8.566 40 30 HKEBRN CCCCCCCCCCCCNC(=S)NCCCCCCCCCCCC ZINC000100076976 559129650 /nfs/dbraw/zinc/12/96/50/559129650.db2.gz NWFVONWTBGQHGT-UHFFFAOYSA-N 0 0 412.772 8.292 40 30 HKEBRN Cc1c(/C=N/c2ccc(C(C)C)cc2)c2ccccn2c1/C=N/c1ccc(C(C)C)cc1 ZINC000100081769 560723772 /nfs/dbraw/zinc/72/37/72/560723772.db2.gz FBJGVJVYLCOZAU-GFTXTJKWSA-N 0 0 421.588 7.996 40 30 HKEBRN C=C1/C(=C/C=C2\CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CC[C@@H](O)C(C)C)C[C@@H](O)C[C@@H]1O ZINC000100088492 568454458 /nfs/dbraw/zinc/45/44/58/568454458.db2.gz BJYLYJCXYAMOFT-TZGGOSDNSA-N 0 0 416.646 5.561 40 30 HKEBRN Cc1cc2c(cc1C)CN(c1ccc(/N=C/c3ccc(Br)cc3)cc1)C2 ZINC000100102514 560724056 /nfs/dbraw/zinc/72/40/56/560724056.db2.gz RBDLCODLJVHUHS-DHRITJCHSA-N 0 0 405.339 6.337 40 30 HKEBRN Cc1[nH]c2ccccc2c1/C=C1\S/C(=N\c2ccccc2)N(c2ccccc2)C1=O ZINC000100103337 560724048 /nfs/dbraw/zinc/72/40/48/560724048.db2.gz GXMOBDSRECTWGH-WOARFCOISA-N 0 0 409.514 6.285 40 30 HKEBRN Cc1[nH]c2ccccc2c1/C=N\c1sc2c(c1C(=O)NCc1ccco1)CCCC2 ZINC000100104915 560724047 /nfs/dbraw/zinc/72/40/47/560724047.db2.gz JOVXUTFDBDXDTC-WGARJPEWSA-N 0 0 417.534 5.690 40 30 HKEBRN CCCCCCCCCCCCOP(O)OCCCCCCCCCCCC ZINC000100110188 569011837 /nfs/dbraw/zinc/01/18/37/569011837.db2.gz SPBMDAHKYSRJFO-UHFFFAOYSA-N 0 0 418.643 9.081 40 30 HKEBRN Nc1ccc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1 ZINC000100115452 527474832 /nfs/dbraw/zinc/47/48/32/527474832.db2.gz OQIGJIYYJLAXJO-UHFFFAOYSA-N 0 0 411.161 5.464 40 30 HKEBRN Cc1cc(/C=N/c2sc3c(c2C#N)CCCC3)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000100116453 560724057 /nfs/dbraw/zinc/72/40/57/560724057.db2.gz RQLYAXUYLGOQPY-ZMOGYAJESA-N 0 0 404.495 5.565 40 30 HKEBRN Cc1cc(/C=N/c2ccc(Br)cc2C)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000100116492 560724033 /nfs/dbraw/zinc/72/40/33/560724033.db2.gz SMSNZWBQBCODHW-WSDLNYQXSA-N 0 0 412.287 5.824 40 30 HKEBRN CC(=O)SCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000100132653 559130260 /nfs/dbraw/zinc/13/02/60/559130260.db2.gz SVEVXDYTPMSOIT-UHFFFAOYSA-N 0 0 422.206 5.395 40 30 HKEBRN Cc1ccc(/N=C2\S/C(=C/c3ccc4c(c3)OCO4)C(=O)N2C2CCCCC2)cc1 ZINC000100138406 560723891 /nfs/dbraw/zinc/72/38/91/560723891.db2.gz UMECPMNIUKOQJT-QMSJJHEMSA-N 0 0 420.534 5.660 40 30 HKEBRN Cc1ccc(NC(=O)COc2ccc(/C=N\c3ccc(Br)cc3)cc2)cc1 ZINC000100142463 560723898 /nfs/dbraw/zinc/72/38/98/560723898.db2.gz LEVKWAQNKOFKGI-OYKKKHCWSA-N 0 0 423.310 5.526 40 30 HKEBRN CC1CCN(c2ccc([N+](=O)[O-])cc2/C=N/c2ccc3c(c2)oc2ccccc23)CC1 ZINC000100153056 560723871 /nfs/dbraw/zinc/72/38/71/560723871.db2.gz UVHBWNDNYLNWLV-WGOQTCKBSA-N 0 0 413.477 6.481 40 30 HKEBRN CC1CCN(CN2c3ccccc3/C(=N\c3ccc(F)c(C(F)(F)F)c3)C2=O)CC1 ZINC000100153268 560723926 /nfs/dbraw/zinc/72/39/26/560723926.db2.gz ZJZFUQGEAZCRHC-NHFJDJAPSA-N 0 0 419.422 5.001 40 30 HKEBRN CCc1ccc2oc(-c3cccc(/N=C\c4cc(Br)ccc4O)c3)nc2c1 ZINC000100159617 559131372 /nfs/dbraw/zinc/13/13/72/559131372.db2.gz NYEHBPHARDZEES-CFRMEGHHSA-N 0 0 421.294 6.276 40 30 HKEBRN CCCCCCc1ccc(C(=O)Oc2ccc(/C=N/c3ccccc3Cl)cc2)cc1 ZINC000100165349 520136843 /nfs/dbraw/zinc/13/68/43/520136843.db2.gz CEXRPOGLVRYSAR-TURZUDJPSA-N 0 0 419.952 7.433 40 30 HKEBRN CCCCCC/C=C/CCCCCCCC(=O)OCCCCCCCCCCCC ZINC000100167307 559131496 /nfs/dbraw/zinc/13/14/96/559131496.db2.gz CDXFYPWJGOODOG-FYWRMAATSA-N 0 0 422.738 9.708 40 30 HKEBRN CCCCCCCOc1ccccc1CN=Nc1nc(C)c(C(=O)OCC)s1 ZINC000100171864 560723879 /nfs/dbraw/zinc/72/38/79/560723879.db2.gz SWLOICQHOYDDCM-PXLXIMEGSA-N 0 0 403.548 5.423 40 30 HKEBRN O=C1c2ccccc2-c2cc(Br)c(/N=C\c3ccc([N+](=O)[O-])cc3)cc21 ZINC000100182696 559131658 /nfs/dbraw/zinc/13/16/58/559131658.db2.gz QOGIWCJMXRDQHD-JJFYIABZSA-N 0 0 407.223 5.319 40 30 HKEBRN CCN(CC)c1ccc(/C=N/c2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)cc1 ZINC000100189301 560723915 /nfs/dbraw/zinc/72/39/15/560723915.db2.gz JMZUFXAZQGHBHX-TWKHWXDSSA-N 0 0 419.528 7.082 40 30 HKEBRN COc1cc(OC)c(/C=N/c2sc3c(c2C#N)CCCC3)cc1Br ZINC000100194234 559131715 /nfs/dbraw/zinc/13/17/15/559131715.db2.gz LFLXIGOHUWDVLZ-UFFVCSGVSA-N 0 0 405.317 5.029 40 30 HKEBRN CC/N=C1/S/C(=C/c2cn(Cc3ccccc3F)c3ccccc23)C(=O)N1CC ZINC000100203517 560723967 /nfs/dbraw/zinc/72/39/67/560723967.db2.gz ILVAEVGKPQQNAQ-FYCBZXFJSA-N 0 0 407.514 5.141 40 30 HKEBRN C=CCOc1ccc(/C=C2\C(=O)N(c3ccc(C)c(C)c3)C(C)=C2C(=O)OCC)cc1 ZINC000100208251 560723955 /nfs/dbraw/zinc/72/39/55/560723955.db2.gz DMPQWUTVJJLLBA-KQWNVCNZSA-N 0 0 417.505 5.136 40 30 HKEBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccc([N+](=O)[O-])cc3C)c2C)cc1 ZINC000100212011 560723951 /nfs/dbraw/zinc/72/39/51/560723951.db2.gz ZTBWZISBTPVKQT-ZVHZXABRSA-N 0 0 405.454 5.238 40 30 HKEBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccc(Cl)c(Cl)c3)c2C)cc1 ZINC000100212077 560724045 /nfs/dbraw/zinc/72/40/45/560724045.db2.gz FVKZYLRWIHZRKN-DHRITJCHSA-N 0 0 415.320 6.328 40 30 HKEBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3cc(Cl)cc(Cl)c3)c2C)cc1 ZINC000100212080 560724053 /nfs/dbraw/zinc/72/40/53/560724053.db2.gz UQPAQFVUOJHJFT-DHRITJCHSA-N 0 0 415.320 6.328 40 30 HKEBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccc(C(C)(C)C)cc3)c2C)cc1 ZINC000100212127 560724061 /nfs/dbraw/zinc/72/40/61/560724061.db2.gz ALORRTARUTWUAW-WPWMEQJKSA-N 0 0 402.538 6.319 40 30 HKEBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccc(-c4ccccc4)cc3)c2C)cc1 ZINC000100212137 560724032 /nfs/dbraw/zinc/72/40/32/560724032.db2.gz XICZLXIVOPZNFL-VUTHCHCSSA-N 0 0 422.528 6.688 40 30 HKEBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccc(N(CC)CC)cc3)c2C)cc1 ZINC000100212139 560724059 /nfs/dbraw/zinc/72/40/59/560724059.db2.gz KDASXOXDCDRVIF-OVVQPSECSA-N 0 0 417.553 5.868 40 30 HKEBRN CCOc1cccc(/C=N/c2cc(C(F)(F)F)ccc2Oc2ccccc2F)c1O ZINC000100222693 560724208 /nfs/dbraw/zinc/72/42/08/560724208.db2.gz QNUKUHLAZZZOMC-UVHMKAGCSA-N 0 0 419.374 6.492 40 30 HKEBRN CCOc1cccc(/C=N/c2cc(C(F)(F)F)ccc2Oc2cccc(F)c2)c1O ZINC000100222697 560724217 /nfs/dbraw/zinc/72/42/17/560724217.db2.gz LABADKMSEVWJFM-UVHMKAGCSA-N 0 0 419.374 6.492 40 30 HKEBRN CCOc1cccc(/C=N/c2cc(C(F)(F)F)ccc2Oc2ccc(C)cc2)c1O ZINC000100222703 560724218 /nfs/dbraw/zinc/72/42/18/560724218.db2.gz QAYBQQSIZDDYCX-MZJWZYIUSA-N 0 0 415.411 6.661 40 30 HKEBRN CCOc1cccc(/C=N/c2cc(C(F)(F)F)ccc2Oc2ccc(F)cc2)c1O ZINC000100222715 560724193 /nfs/dbraw/zinc/72/41/93/560724193.db2.gz NNVXAMYZZKMNFL-UVHMKAGCSA-N 0 0 419.374 6.492 40 30 HKEBRN CCOc1cccc(/C=N/c2cc(C(F)(F)F)ccc2Oc2ccccc2)c1O ZINC000100222729 560724235 /nfs/dbraw/zinc/72/42/35/560724235.db2.gz HYCBIZNCYZIPNS-VULFUBBASA-N 0 0 401.384 6.353 40 30 HKEBRN CCOc1cccc(/C=N/c2cc(C(F)(F)F)ccc2OCC(F)(F)F)c1O ZINC000100222763 560724221 /nfs/dbraw/zinc/72/42/21/560724221.db2.gz VUZDYESIONCBND-YCPBAFNGSA-N 0 0 407.310 5.501 40 30 HKEBRN CCOc1cc(C=Nc2nc[nH]n2)cc(Cl)c1OCc1cccc2ccccc21 ZINC000100231652 559132620 /nfs/dbraw/zinc/13/26/20/559132620.db2.gz YXKRWTGAHRFNBV-WYMPLXKRSA-N 0 0 406.873 5.340 40 30 HKEBRN C[C@H](c1ccccc1)N1C(=O)/C(=C\c2c[nH]c3ccccc23)S/C1=N/c1ccccc1 ZINC000100233593 559132706 /nfs/dbraw/zinc/13/27/06/559132706.db2.gz DPNXZWNATNDIKH-BYULABSTSA-N 0 0 423.541 6.533 40 30 HKEBRN CC(=CC(=O)c1ccc(Br)cc1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000100237736 559133077 /nfs/dbraw/zinc/13/30/77/559133077.db2.gz BSKGKIBDPRRTJY-JXXUREIGSA-N 0 0 420.310 7.063 40 30 HKEBRN CCCCCCCOc1ccc(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)cc1 ZINC000100239716 559133071 /nfs/dbraw/zinc/13/30/71/559133071.db2.gz GDNRFAFLQGQRJJ-UHFFFAOYSA-N 0 0 420.509 6.133 40 30 HKEBRN CCOc1ccc(/N=C\c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)cc1 ZINC000100242802 560724207 /nfs/dbraw/zinc/72/42/07/560724207.db2.gz FDAGICPLBXHEHQ-VPBNWZFVSA-N 0 0 402.494 5.092 40 30 HKEBRN CCOc1ccc(/N=C\c2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)cc1 ZINC000100242804 560724232 /nfs/dbraw/zinc/72/42/32/560724232.db2.gz FDAGICPLBXHEHQ-FDRCZSESSA-N 0 0 402.494 5.092 40 30 HKEBRN CCOc1ccc(/N=C\c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)cc1 ZINC000100242809 560724212 /nfs/dbraw/zinc/72/42/12/560724212.db2.gz FBGIBNIVKIPXTQ-MYYYXRDXSA-N 0 0 408.885 5.507 40 30 HKEBRN CCOc1ccc(/N=C\c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)cc1 ZINC000100242816 560724234 /nfs/dbraw/zinc/72/42/34/560724234.db2.gz IXMSRPKKUNZTNL-MYYYXRDXSA-N 0 0 408.885 5.507 40 30 HKEBRN CCOc1ccc(/C=C2\S/C(=N\c3ccccc3)N(C3CCCCC3)C2=O)cc1 ZINC000100243244 560724046 /nfs/dbraw/zinc/72/40/46/560724046.db2.gz HWOFIOKCJGAZFP-ISSOZRQYSA-N 0 0 406.551 6.022 40 30 HKEBRN O=C(C=CNc1ccc(N=Nc2ccccc2)cc1)c1ccc(Br)cc1 ZINC000100245448 559133292 /nfs/dbraw/zinc/13/32/92/559133292.db2.gz NHMDIPUTCUGJRG-CQBAGECTSA-N 0 0 406.283 6.673 40 30 HKEBRN CCCCCOc1ccc(C2=NOC(=O)/C2=C\c2ccc(OCCCC)cc2)cc1 ZINC000100245471 520252520 /nfs/dbraw/zinc/25/25/20/520252520.db2.gz UIEADUQPTARFGA-NKFKGCMQSA-N 0 0 407.510 5.779 40 30 biogenic,in-vitro HKEBRN O=C(C=CNc1ccc(N=Nc2ccccc2)cc1)c1ccc(-c2ccccc2)cc1 ZINC000100245571 559133318 /nfs/dbraw/zinc/13/33/18/559133318.db2.gz QCDMEYVYSGBGLN-DCJSEKHCSA-N 0 0 403.485 7.578 40 30 HKEBRN CCCCCCCCCCCC(=O)Nc1ccc(NC(=O)c2ccco2)c(OC)c1 ZINC000100249850 560724103 /nfs/dbraw/zinc/72/41/03/560724103.db2.gz FETQNEZKQDKXTM-UHFFFAOYSA-N 0 0 414.546 6.400 40 30 HKEBRN COc1cc(/C=N\O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000100250207 559133399 /nfs/dbraw/zinc/13/33/99/559133399.db2.gz HRGOSLYHWDMWSR-GXHLCREISA-N 0 0 405.075 5.152 40 30 HKEBRN Cc1cc(/C=C2/S/C(=N\c3ccc(F)cc3)N(C3CCCCC3)C2=O)c(C)n1C ZINC000100265480 560724130 /nfs/dbraw/zinc/72/41/30/560724130.db2.gz CNZSXSSKVWGQRQ-LISDSOCTSA-N 0 0 411.546 5.718 40 30 HKEBRN Cn1cc(/C=N\c2sc3c(c2C(=O)NC2CCCCC2)CCCC3)c2ccccc21 ZINC000100268461 560724136 /nfs/dbraw/zinc/72/41/36/560724136.db2.gz BRLJNRBPIZLCBR-YSMPRRRNSA-N 0 0 419.594 5.932 40 30 HKEBRN O=C1/C(=C\c2ccco2)S/C(=N\c2ccccc2)N1CCc1c[nH]c2ccccc12 ZINC000100276057 560724204 /nfs/dbraw/zinc/72/42/04/560724204.db2.gz KEIBORGGPVJFFY-GCXIQGEKSA-N 0 0 413.502 5.608 40 30 HKEBRN COCCN1C(=O)/C(=C/c2ccc(Cl)c(Cl)c2)S/C1=N/c1ccccc1 ZINC000100280142 559133605 /nfs/dbraw/zinc/13/36/05/559133605.db2.gz CIURMPBTCGJDHB-UKUDRTMLSA-N 0 0 407.322 5.244 40 30 HKEBRN COc1ccc(/N=C2\S/C(=C/c3ccc(-c4ccc(C#N)cc4)o3)C(=O)N2C)cc1 ZINC000100280587 523469066 /nfs/dbraw/zinc/46/90/66/523469066.db2.gz JFVNGLBPVMODMQ-RRJMXWIWSA-N 0 0 415.474 5.061 40 30 HKEBRN CCCCCCCCCCCCCCCCN1C(=O)c2cccc3cccc(c32)C1=O ZINC000100285973 519999015 /nfs/dbraw/zinc/99/90/15/519999015.db2.gz SGGICNHGUVSELL-UHFFFAOYSA-N 0 0 421.625 7.917 40 30 HKEBRN COc1ccc(/C=C2/S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1C ZINC000100286486 560724196 /nfs/dbraw/zinc/72/41/96/560724196.db2.gz BWCYCAUZXIJKDE-FTJNEJEMSA-N 0 0 400.503 5.812 40 30 HKEBRN CCCCCCCCCCCCc1cc(C)cc([C@@H]2Nc3ccccc3S2)c1O ZINC000100291282 559193096 /nfs/dbraw/zinc/19/30/96/559193096.db2.gz PACBIGNRUWABMA-AREMUKBSSA-N 0 0 411.655 8.380 40 30 HKEBRN CCCCCCCCCCCCc1cc(C)cc([C@H]2Nc3ccccc3S2)c1O ZINC000100291284 559193092 /nfs/dbraw/zinc/19/30/92/559193092.db2.gz PACBIGNRUWABMA-SANMLTNESA-N 0 0 411.655 8.380 40 30 HKEBRN Cc1ccc(/N=C2/S/C(=C/c3ccc(Br)cc3)C(=O)N2C)cc1C ZINC000100296971 560724219 /nfs/dbraw/zinc/72/42/19/560724219.db2.gz IFHMQQVQHQUZLT-WZOFUNJYSA-N 0 0 401.329 5.300 40 30 HKEBRN CCOC(=O)c1ccc(/C=C2/S/C(=N/c3ccccc3)N(CC(C)C)C2=O)cc1 ZINC000100297788 521460892 /nfs/dbraw/zinc/46/08/92/521460892.db2.gz OKUYOOWXOGRRMN-TWGQILOBSA-N 0 0 408.523 5.123 40 30 HKEBRN CCCCCCCCC(=O)OCCCCCCCOC(=O)CCCCCCCC ZINC000100297806 559133803 /nfs/dbraw/zinc/13/38/03/559133803.db2.gz QLZXRFAUNOYXNK-UHFFFAOYSA-N 0 0 412.655 7.525 40 30 HKEBRN CCCCCCCCC(=O)OCCNC(=O)[C@@H](C)OC(=O)CCCCCCCC ZINC000100297811 559133801 /nfs/dbraw/zinc/13/38/01/559133801.db2.gz GIBWHSWUGMFLGQ-HXUWFJFHSA-N 0 0 413.599 5.079 40 30 HKEBRN CCCCCCCCC(=O)OCCNC(=O)[C@H](C)OC(=O)CCCCCCCC ZINC000100297814 519973069 /nfs/dbraw/zinc/97/30/69/519973069.db2.gz GIBWHSWUGMFLGQ-FQEVSTJZSA-N 0 0 413.599 5.079 40 30 HKEBRN CCCN1C(=O)/C(=C\c2cc(Cl)ccc2OC)S/C1=N/c1ccc(C)cc1 ZINC000100298702 559133888 /nfs/dbraw/zinc/13/38/88/559133888.db2.gz PLFZOAIZHMUWNW-TZIVZOBOSA-N 0 0 400.931 5.671 40 30 HKEBRN CCCOc1ccc(/C=C2/S/C(=N/c3ccccc3)N(CC)C2=O)cc1OCC ZINC000100299213 520320950 /nfs/dbraw/zinc/32/09/50/520320950.db2.gz VSFXCUYXIKXZDH-BUUFFXLRSA-N 0 0 410.539 5.498 40 30 HKEBRN CCCCCCCCCC[C@@H](C(=O)OCC)P(=O)(OCCCC)OCCCC ZINC000100301963 520023281 /nfs/dbraw/zinc/02/32/81/520023281.db2.gz MLZFYRJHSLXFLK-NRFANRHFSA-N 0 0 420.571 7.275 40 30 HKEBRN CCCCCCCCCC[C@H](C(=O)OCC)P(=O)(OCCCC)OCCCC ZINC000100301965 559133890 /nfs/dbraw/zinc/13/38/90/559133890.db2.gz MLZFYRJHSLXFLK-OAQYLSRUSA-N 0 0 420.571 7.275 40 30 HKEBRN CCCCCCCCCCCCc1ccccc1NC(=O)Nc1ccc(Cl)cc1 ZINC000100304173 559133952 /nfs/dbraw/zinc/13/39/52/559133952.db2.gz INULTMKPDCOOKB-UHFFFAOYSA-N 0 0 415.021 8.447 40 30 HKEBRN CCCCCCCCCCCCCCCCC[C@@]1(c2ccccc2)NC(=O)NC1=O ZINC000100307577 559133969 /nfs/dbraw/zinc/13/39/69/559133969.db2.gz MFFFCCQIZQOHHW-SANMLTNESA-N 0 0 414.634 6.983 40 30 HKEBRN CCCCCCCCCCCCCCCCC[C@]1(c2ccccc2)NC(=O)NC1=O ZINC000100307579 559133978 /nfs/dbraw/zinc/13/39/78/559133978.db2.gz MFFFCCQIZQOHHW-AREMUKBSSA-N 0 0 414.634 6.983 40 30 HKEBRN CCCCCCCCCCCCCCCCCCC1=CC(=O)c2ccccc2C1=O ZINC000100307888 559133993 /nfs/dbraw/zinc/13/39/93/559133993.db2.gz OVFBAFHCHZKLRO-UHFFFAOYSA-N 0 0 410.642 8.644 40 30 HKEBRN CCCCCCCCCCCCCCCCCCSc1ccc2ccccc2c1 ZINC000100309653 559134026 /nfs/dbraw/zinc/13/40/26/559134026.db2.gz LMIXQYAGWZATQI-UHFFFAOYSA-N 0 0 412.727 10.193 40 30 HKEBRN CCCCCCCCCCCCCCCCNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000100309883 559134015 /nfs/dbraw/zinc/13/40/15/559134015.db2.gz OFTKGWZUBGTPJA-UHFFFAOYSA-N 0 0 405.583 7.198 40 30 HKEBRN CCCCCCCCCCCCCCCCNC(=O)Nc1ccc(OCC)cc1 ZINC000100309889 559134028 /nfs/dbraw/zinc/13/40/28/559134028.db2.gz RTAIKLLFXPKMFP-UHFFFAOYSA-N 0 0 404.639 7.688 40 30 HKEBRN CCCCCCCCCCCCCCCCOCCOCCOCCOCCO ZINC000100310215 520001254 /nfs/dbraw/zinc/00/12/54/520001254.db2.gz CACXEVGZNASLOU-UHFFFAOYSA-N 0 0 418.659 5.526 40 30 HKEBRN CCCCCCCCCCCCCCNC1=C(Cl)C(=O)c2ccccc2C1=O ZINC000100310455 559134016 /nfs/dbraw/zinc/13/40/16/559134016.db2.gz NFJACRZZBGGIGK-UHFFFAOYSA-N 0 0 403.994 6.807 40 30 HKEBRN CCCCCCCCCCN(CCCCCCCCCC)C(=O)[C@@H](C)OC(C)=O ZINC000100311980 520018392 /nfs/dbraw/zinc/01/83/92/520018392.db2.gz NSIHRBHUXHGZFY-HSZRJFAPSA-N 0 0 411.671 7.048 40 30 HKEBRN CCCCCCCCCCN(CCCCCCCCCC)C(=O)[C@H](C)OC(C)=O ZINC000100311984 559134025 /nfs/dbraw/zinc/13/40/25/559134025.db2.gz NSIHRBHUXHGZFY-QHCPKHFHSA-N 0 0 411.671 7.048 40 30 HKEBRN COc1cc(/C=N/c2sc3c(c2C#N)CCCC3)ccc1OCc1ccc(F)cc1 ZINC000100313216 560724418 /nfs/dbraw/zinc/72/44/18/560724418.db2.gz VTMSXEWOHAGYLR-MZJWZYIUSA-N 0 0 420.509 5.976 40 30 HKEBRN CCCCCCCCOP(=O)(/C=C\c1ccccc1)OCCCCCCCC ZINC000100313832 559134011 /nfs/dbraw/zinc/13/40/11/559134011.db2.gz QJBHYQLPZLPAPU-ATJXCDBQSA-N 0 0 408.563 8.605 40 30 HKEBRN COc1cc(/C=N\C2=C(C)[C@@H](C)N(c3ccccc3)C2=O)ccc1OCCC(C)C ZINC000100314501 559134044 /nfs/dbraw/zinc/13/40/44/559134044.db2.gz FQUHQLCBBLUNGV-NLULDLIBSA-N 0 0 406.526 5.248 40 30 HKEBRN COc1cc(/C=N\C2=C(C)[C@H](C)N(c3ccccc3)C2=O)ccc1OCCC(C)C ZINC000100314505 522004458 /nfs/dbraw/zinc/00/44/58/522004458.db2.gz FQUHQLCBBLUNGV-HPUZFYODSA-N 0 0 406.526 5.248 40 30 HKEBRN COc1ccc(OC)c(/C=C2\S/C(=N\c3ccccc3)N(C3CCCCC3)C2=O)c1 ZINC000100322883 560724408 /nfs/dbraw/zinc/72/44/08/560724408.db2.gz HSSJSYHTDYYUSG-WMOWQXFYSA-N 0 0 422.550 5.641 40 30 HKEBRN COc1ccc(C(=O)C(=CNc2cccc(C(F)(F)F)c2)C(=O)C(F)(F)F)cc1 ZINC000100338217 560724559 /nfs/dbraw/zinc/72/45/59/560724559.db2.gz QTLQKJJAHJCVIH-XNTDXEJSSA-N 0 0 417.305 5.024 40 30 HKEBRN COc1ccc(-c2c(C#N)c(/N=C/c3ccc(Cl)cc3)oc2-c2ccccc2)cc1 ZINC000100340802 560724548 /nfs/dbraw/zinc/72/45/48/560724548.db2.gz LSPVWDPYRRGMBI-LQKURTRISA-N 0 0 412.876 6.898 40 30 HKEBRN O=C1c2c(c(Cl)c(Cl)c(Cl)c2Cl)C(=O)C1=C1C=Cc2ccccc2N1 ZINC000100350899 559134331 /nfs/dbraw/zinc/13/43/31/559134331.db2.gz HOSJLXOUCNYNOD-UHFFFAOYSA-N 0 0 411.071 6.072 40 30 HKEBRN COc1ccc(/C=N\c2sc3c(c2C(=O)NCc2ccccc2)CCCC3)cc1 ZINC000100354115 560724566 /nfs/dbraw/zinc/72/45/66/560724566.db2.gz RLQQAIRTBBHEMF-QQXSKIMKSA-N 0 0 404.535 5.316 40 30 HKEBRN CN(C)c1ccc(/N=C(/C#N)c2cccc(/C(C#N)=N\c3ccc(N(C)C)cc3)c2)cc1 ZINC000100368391 522138941 /nfs/dbraw/zinc/13/89/41/522138941.db2.gz MENPARZFJLXAQL-IDDWGTJGSA-N 0 0 420.520 5.107 40 30 HKEBRN c1ccc(CC(N=Nc2ccccc2)=C(Cc2ccccc2)NNc2ccccc2)cc1 ZINC000100369435 559134595 /nfs/dbraw/zinc/13/45/95/559134595.db2.gz KIVQHQYEIKVWGY-GYNJYFOTSA-N 0 0 418.544 6.408 40 30 HKEBRN O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1c(F)c(F)c(F)c(F)c1F ZINC000100369669 559134622 /nfs/dbraw/zinc/13/46/22/559134622.db2.gz BBPVDUNVXMCAHD-UHFFFAOYSA-N 0 0 424.291 5.253 40 30 HKEBRN C(=N/c1cccc(-c2nc3ccccc3o2)c1)\c1ccccc1OCc1ccccc1 ZINC000100384122 559134684 /nfs/dbraw/zinc/13/46/84/559134684.db2.gz YBBAHUSNFJPWAO-MTDXEUNCSA-N 0 0 404.469 6.824 40 30 HKEBRN COc1cccc(/C=N/c2ccc(N3CCOCC3)cc2)c1OCc1ccccc1F ZINC000100384173 559134671 /nfs/dbraw/zinc/13/46/71/559134671.db2.gz JVZVHHGLWKGKGC-WPWMEQJKSA-N 0 0 420.484 5.001 40 30 HKEBRN Fc1ccccc1COc1ccccc1/C=N/c1ccc(N2CCCCC2)c(Cl)c1 ZINC000100384190 559134681 /nfs/dbraw/zinc/13/46/81/559134681.db2.gz FWGSCWVQRUIDMH-OGLMXYFKSA-N 0 0 422.931 6.799 40 30 HKEBRN CCOc1cc(/C=N/c2ccc3[nH]c(=O)[nH]c3c2)ccc1OCc1ccccc1Cl ZINC000100384203 559134655 /nfs/dbraw/zinc/13/46/55/559134655.db2.gz AHLKXQJWKYHFMY-DHRITJCHSA-N 0 0 421.884 5.238 40 30 HKEBRN COc1cccc(/C=N/c2cc(Cl)cc(Cl)c2)c1OCc1ccccc1F ZINC000100384220 559134650 /nfs/dbraw/zinc/13/46/50/559134650.db2.gz OROKDLQZZKUQCX-BRJLIKDPSA-N 0 0 404.268 6.471 40 30 HKEBRN CCOc1cc(/C=N/c2cc(Cl)cc(Cl)c2)ccc1OCc1ccc(F)cc1 ZINC000100384222 559134653 /nfs/dbraw/zinc/13/46/53/559134653.db2.gz NGXZGZHGIFKILC-LGJNPRDNSA-N 0 0 418.295 6.861 40 30 HKEBRN COc1ccc(/N=C/c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1Cl ZINC000100384402 559134638 /nfs/dbraw/zinc/13/46/38/559134638.db2.gz YNTYCHDMXLFCSB-DHRITJCHSA-N 0 0 416.304 6.340 40 30 HKEBRN CCCCCCCOc1ccc(C(=O)Nc2cccc(NC(=O)c3ccco3)c2)cc1 ZINC000100392083 560724619 /nfs/dbraw/zinc/72/46/19/560724619.db2.gz QWMVFYDGAIRDBM-UHFFFAOYSA-N 0 0 420.509 6.133 40 30 HKEBRN CCCCCCCCCCCc1c(=O)c(=O)cc2[nH]c3cc([N+](=O)[O-])ccc3oc1-2 ZINC000100392915 560052745 /nfs/dbraw/zinc/05/27/45/560052745.db2.gz LNKAITOAILLMJQ-UHFFFAOYSA-N 0 0 412.486 5.568 40 30 biogenic,in-vitro HKEBRN O=C(C=C1Nc2ccccc2NC1=CC(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000100395400 559134808 /nfs/dbraw/zinc/13/48/08/559134808.db2.gz JSMVDVTYZMVRBO-HHQODBOJSA-N 0 0 400.865 5.711 40 30 HKEBRN O=C1/C(=C/c2ccc(Cl)cc2)S/C(=N\Cc2ccccc2)N1Cc1ccccc1 ZINC000100398800 560724622 /nfs/dbraw/zinc/72/46/22/560724622.db2.gz SRVQFMHBAWCQTE-SHSCQTOKSA-N 0 0 418.949 6.013 40 30 HKEBRN O=C1/C(=C\c2c[nH]c3ccccc23)S/C(=N\c2ccccc2F)N1C1CCCCC1 ZINC000100409837 560724575 /nfs/dbraw/zinc/72/45/75/560724575.db2.gz ODAYAWQNTRHJKC-MDISCOTOSA-N 0 0 419.525 6.244 40 30 HKEBRN O=C(CSc1nc2ccc(N=Cc3ccccc3)cc2s1)c1ccc(F)cc1 ZINC000100411795 560724505 /nfs/dbraw/zinc/72/45/05/560724505.db2.gz WMSSBHPZKLPXLV-ZMOGYAJESA-N 0 0 406.507 6.161 40 30 HKEBRN CCCCCCCCCCCCCCn1nc(Br)nc1Br ZINC000100412921 568935565 /nfs/dbraw/zinc/93/55/65/568935565.db2.gz RAESOIVHVGTVAA-UHFFFAOYSA-N 0 0 423.237 6.504 40 30 HKEBRN O=C(CSc1nc2ccc(N=Cc3ccc(F)cc3)cc2s1)c1ccc(F)cc1 ZINC000100413592 560724573 /nfs/dbraw/zinc/72/45/73/560724573.db2.gz DQLRQSXKZKNDAQ-BRJLIKDPSA-N 0 0 424.497 6.300 40 30 HKEBRN O=C(NC1CCCCC1)c1c(/N=C\c2ccc3c(c2)OCO3)sc2c1CCCC2 ZINC000100433435 559135369 /nfs/dbraw/zinc/13/53/69/559135369.db2.gz XZHMQBVGWBTQQE-CFRMEGHHSA-N 0 0 410.539 5.169 40 30 HKEBRN O=C1/C(=C/c2cccc3ccccc23)S/C(=N\c2ccccc2)N1C1CCCCC1 ZINC000100437004 560724702 /nfs/dbraw/zinc/72/47/02/560724702.db2.gz AUHYROYQVSKFDP-DZNDYGJHSA-N 0 0 412.558 6.777 40 30 HKEBRN O=C1/C(=C/c2c[nH]c3ccccc23)S/C(=N\Cc2ccccc2)N1Cc1ccccc1 ZINC000100437252 560724684 /nfs/dbraw/zinc/72/46/84/560724684.db2.gz ITBYQUQTOWKIQV-AHHHDHMGSA-N 0 0 423.541 5.841 40 30 HKEBRN O=C1/C(=N\c2ccc3ccccc3c2)c2ccccc2N1CN1CCc2ccccc2C1 ZINC000100437403 560724694 /nfs/dbraw/zinc/72/46/94/560724694.db2.gz KCLCUVKZAYXUAJ-OHYPFYFLSA-N 0 0 417.512 5.323 40 30 HKEBRN O=C(CSc1nc2ccc(N=Cc3ccccc3O)cc2s1)c1ccc(F)cc1 ZINC000100457545 560724734 /nfs/dbraw/zinc/72/47/34/560724734.db2.gz AJBQVIZKOKAQSR-WYMPLXKRSA-N 0 0 422.506 5.867 40 30 HKEBRN N#CC[C@H]1CC[C@@](c2cc(F)ccc2F)(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000100458671 526480145 /nfs/dbraw/zinc/48/01/45/526480145.db2.gz FBJSSDVJDCQIIG-LDTOLXSISA-N 0 0 409.885 5.391 40 30 HKEBRN O=C(C(=N/c1ccccc1)/C(=N\c1ccccc1)C(=O)c1ccccc1)c1ccccc1 ZINC000100471633 559135543 /nfs/dbraw/zinc/13/55/43/559135543.db2.gz WQMMIFSPFCPWEG-XDHTVYJESA-N 0 0 416.480 6.298 40 30 HKEBRN O=C1/C(=C/c2cccc([N+](=O)[O-])c2)S/C(=N\c2ccccc2)N1C1CCCCC1 ZINC000100481619 560724817 /nfs/dbraw/zinc/72/48/17/560724817.db2.gz RKAZHZJQAUUZCI-BLFRMDKKSA-N 0 0 407.495 5.532 40 30 HKEBRN CCOC(=O)c1c(/N=C\c2cc(Br)ccc2O)sc2c1CCCC2 ZINC000100491795 560724835 /nfs/dbraw/zinc/72/48/35/560724835.db2.gz BGZUNEWFFZHVSO-JMIUGGIZSA-N 0 0 408.317 5.022 40 30 HKEBRN CCCCCCCOc1ccc(CN=Nc2nc(-c3ccccc3)nc(C)c2C)cc1 ZINC000100497739 560724825 /nfs/dbraw/zinc/72/48/25/560724825.db2.gz UMFPPKWUEFZTFY-ZXVVBBHZSA-N 0 0 416.569 6.556 40 30 HKEBRN Clc1ccc(/C=N/c2ccc(/N=C\c3ccc(Cl)cc3Cl)cc2)c(Cl)c1 ZINC000100498288 560724845 /nfs/dbraw/zinc/72/48/45/560724845.db2.gz JBHMQYZEBPHEEO-UIXGLJBASA-N 0 0 422.142 7.801 40 30 HKEBRN CCN1C(=O)/C(=C2/Sc3ccccc3N2CC)S/C1=N/c1ccc(Cl)cc1 ZINC000100499523 121611110 /nfs/dbraw/zinc/61/11/10/121611110.db2.gz BLPZKQBRIPJPHH-PNFLQUQDSA-N 0 0 415.971 5.724 40 30 HKEBRN C=CCN1C(=O)/C(=C2/Sc3ccccc3N2CC)S/C1=N/Cc1ccccc1 ZINC000100499533 121611120 /nfs/dbraw/zinc/61/11/20/121611120.db2.gz JPPYAWVVOBFQQG-ZCGWOIPMSA-N 0 0 407.564 5.105 40 30 HKEBRN CCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](O)CO ZINC000100503522 559135944 /nfs/dbraw/zinc/13/59/44/559135944.db2.gz SMUXPRLRWPVDDT-HSZRJFAPSA-N 0 0 400.644 6.315 40 30 HKEBRN CCCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)CO ZINC000100503526 559135931 /nfs/dbraw/zinc/13/59/31/559135931.db2.gz SMUXPRLRWPVDDT-QHCPKHFHSA-N 0 0 400.644 6.315 40 30 HKEBRN CCCCCCCCCCCCCCCCOc1ccc2c(C)cc(=O)oc2c1 ZINC000100505548 520001022 /nfs/dbraw/zinc/00/10/22/520001022.db2.gz NNSZCOQRSLNMKW-UHFFFAOYSA-N 0 0 400.603 7.962 40 30 HKEBRN O=C1C=CC(=[NH+][N-]c2cccc(Cl)c2)C=C1C=Nc1ccc(N2CCOCC2)cc1 ZINC000100507060 560725387 /nfs/dbraw/zinc/72/53/87/560725387.db2.gz UAGOWLXKRNEDAM-OVFURWPXSA-N 0 0 420.900 6.048 40 30 HKEBRN CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@](C)(O)CCC1=CC(=O)C=CC1=O ZINC000100509290 559135961 /nfs/dbraw/zinc/13/59/61/559135961.db2.gz RYDAONHARCBTNC-XLGIIRLISA-N 0 0 404.635 6.591 40 30 HKEBRN CCCCCCCCCCCCCCC(C)N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000100511592 560725454 /nfs/dbraw/zinc/72/54/54/560725454.db2.gz AIIJNDALIRROQW-FCDQGJHFSA-N 0 0 420.554 7.382 40 30 HKEBRN C=CCOc1ccc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1 ZINC000100511691 519015608 /nfs/dbraw/zinc/01/56/08/519015608.db2.gz UDZNFWZWHHHCBG-CUHSDLGESA-N 0 0 412.514 6.060 40 30 HKEBRN CC1(C)CC(=O)C(C(c2ccc(Cl)cc2)C2C(=O)CC(C)(C)CC2=O)C(=O)C1 ZINC000100522260 560725479 /nfs/dbraw/zinc/72/54/79/560725479.db2.gz ZMSZPNXWFLDRGD-UHFFFAOYSA-N 0 0 402.918 5.826 40 30 HKEBRN CCCCCCCCCCCC(=O)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000100530377 519984036 /nfs/dbraw/zinc/98/40/36/519984036.db2.gz SOPVDKZKKKHCAF-UHFFFAOYSA-N 0 0 403.548 6.578 40 30 HKEBRN CCCCCCCCCCCCCC(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000100530884 569283658 /nfs/dbraw/zinc/28/36/58/569283658.db2.gz JHUUKIFPNQYKRT-UHFFFAOYSA-N 0 0 421.050 8.103 40 30 HKEBRN O=C(C=C1Nc2ccccc2NC1=CC(=O)c1ccc(F)cc1)c1ccc(F)cc1 ZINC000100549808 560725262 /nfs/dbraw/zinc/72/52/62/560725262.db2.gz GEMOKJFTTVIVJS-JZTLMNBPSA-N 0 0 402.400 5.336 40 30 HKEBRN CCCCCCCOc1ccc(C(=O)Nc2ccc3c(c2)oc2ccccc23)cc1 ZINC000100574614 560725263 /nfs/dbraw/zinc/72/52/63/560725263.db2.gz JZZRFAMGHFIDOH-UHFFFAOYSA-N 0 0 401.506 7.188 40 30 HKEBRN CCCCCCCCCCCCCC(=O)Nc1nc(-c2ccc(C)cc2)cs1 ZINC000100579764 519988139 /nfs/dbraw/zinc/98/81/39/519988139.db2.gz JKBNCNUUVSDTMY-UHFFFAOYSA-N 0 0 400.632 7.758 40 30 HKEBRN CCCCCCCC(=O)N[C@H](Nc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl ZINC000100597389 519962882 /nfs/dbraw/zinc/96/28/82/519962882.db2.gz NGHPMZFEKJLGCM-HNNXBMFYSA-N 0 0 410.729 5.180 40 30 HKEBRN CCCCCCCC(=O)N[C@@H](Nc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl ZINC000100597392 560725392 /nfs/dbraw/zinc/72/53/92/560725392.db2.gz NGHPMZFEKJLGCM-OAHLLOKOSA-N 0 0 410.729 5.180 40 30 HKEBRN C=C1CC[C@H](O)C/C1=C/C=C1/CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)CCCC(C)(C)O ZINC000100605450 558797690 /nfs/dbraw/zinc/79/76/90/558797690.db2.gz JWUBBDSIWDLEOM-ZZAPQYFZSA-N 0 0 400.647 6.734 40 30 HKEBRN CCCCCCCOc1ccc(CN=Nc2cc(Cl)nc(-c3ccccc3)n2)cc1 ZINC000100625481 560725694 /nfs/dbraw/zinc/72/56/94/560725694.db2.gz RNWREURSUZXRKN-NLRVBDNBSA-N 0 0 422.960 6.592 40 30 HKEBRN O=[N+]([O-])c1ccc(/C=N\c2ccc(-c3ccc(/N=C\c4ccc(O)cc4)cc3)cc2)cc1 ZINC000100644056 559137334 /nfs/dbraw/zinc/13/73/34/559137334.db2.gz ZZSCOBSBVCVPGZ-HJTNQMAYSA-N 0 0 421.456 6.469 40 30 HKEBRN O=[N+]([O-])c1ccc(/C=N/c2ccc(-c3ccc(/N=C\c4ccc(O)cc4)cc3)cc2)cc1 ZINC000100644058 559137337 /nfs/dbraw/zinc/13/73/37/559137337.db2.gz ZZSCOBSBVCVPGZ-QYEWKMJJSA-N 0 0 421.456 6.469 40 30 HKEBRN O=[N+]([O-])c1ccc(/C=N\c2ccc(-c3ccc(/N=C/c4ccc(O)cc4)cc3)cc2)cc1 ZINC000100644059 559137340 /nfs/dbraw/zinc/13/73/40/559137340.db2.gz ZZSCOBSBVCVPGZ-HJVIKEODSA-N 0 0 421.456 6.469 40 30 HKEBRN Clc1ccc(N=CC=C(Nc2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1 ZINC000100661703 559137520 /nfs/dbraw/zinc/13/75/20/559137520.db2.gz CIYBGKFWZJITHM-BPODSWHHSA-N 0 0 401.724 7.502 40 30 HKEBRN O=C(C=CNc1ccccc1C(=O)c1ccccc1)c1ccc(Br)cc1 ZINC000100662219 559137530 /nfs/dbraw/zinc/13/75/30/559137530.db2.gz JJKGQAVTIPTFKI-PFONDFGASA-N 0 0 406.279 5.489 40 30 HKEBRN CCCCCCCCCCCCS(=O)(=O)CCCCCCCCCCCC ZINC000100687272 520013083 /nfs/dbraw/zinc/01/30/83/520013083.db2.gz IBWOCMGLVDJIPM-UHFFFAOYSA-N 0 0 402.729 8.243 40 30 HKEBRN Cc1ccccc1[C@H]1c2ccccc2OC(c2ccccc2)C1=CN=Nc1ccccc1 ZINC000100720428 525449281 /nfs/dbraw/zinc/44/92/81/525449281.db2.gz ITULBBUZRBTQIP-ASYBXRLASA-N 0 0 416.524 7.029 40 30 HKEBRN Cc1ccc(-c2nc3ccccc3[nH]2)cc1/N=C/c1cc(Br)ccc1O ZINC000100815245 558797695 /nfs/dbraw/zinc/79/76/95/558797695.db2.gz MFUYQYAOWMOKHG-FSJBWODESA-N 0 0 406.283 5.757 40 30 HKEBRN C=CCn1c(-c2ccc(C)cc2)cs/c1=N\c1ccc(/N=N\c2ccccc2)cc1 ZINC000100840966 558651145 /nfs/dbraw/zinc/65/11/45/558651145.db2.gz AEFXIBIKXVEEHM-FNBANUKLSA-N 0 0 410.546 7.359 40 30 HKEBRN Oc1ccc(/C=N\N=c2\scc(-c3ccc(Cl)cc3)n2-c2ccccc2)cc1 ZINC000100841022 559141276 /nfs/dbraw/zinc/14/12/76/559141276.db2.gz QPKMDOKMJJEBAF-KBLMCVRGSA-N 0 0 405.910 5.500 40 30 HKEBRN COc1cc(/C=N/N=C2\CC[C@H]3[C@H]4CCc5cc(O)ccc5[C@H]4CC[C@]23C)ccc1O ZINC000100870596 559141470 /nfs/dbraw/zinc/14/14/70/559141470.db2.gz LWFIYCGPQQWUES-QETUKFFDSA-N 0 0 418.537 5.438 40 30 HKEBRN C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC/C2=N\N=C\c1ccc(Cl)cc1 ZINC000100870600 559141450 /nfs/dbraw/zinc/14/14/50/559141450.db2.gz PZMASCFNOYVBCT-YGUNLJQTSA-N 0 0 406.957 6.377 40 30 HKEBRN CCCCCCCCCCCCCCCc1ccc(OCc2ccc(N)cc2)cc1 ZINC000100889712 558800541 /nfs/dbraw/zinc/80/05/41/558800541.db2.gz VMRSULRMJCPJQG-UHFFFAOYSA-N 0 0 409.658 8.482 40 30 HKEBRN CCCCCCCCCCCCCCCc1ccc(OCc2ccccc2N)cc1 ZINC000100889909 558800510 /nfs/dbraw/zinc/80/05/10/558800510.db2.gz FAIGDKUFHXLADN-UHFFFAOYSA-N 0 0 409.658 8.482 40 30 HKEBRN O=C(Nc1ccc(Cl)cc1)C(N=Nc1ccc(Cl)cc1)C(=O)c1ccccc1 ZINC000100891683 569050238 /nfs/dbraw/zinc/05/02/38/569050238.db2.gz LGCAZVVSQCVFBA-LGUFXXKBSA-N 0 0 412.276 5.283 40 30 HKEBRN CCCCCCCCCCCC[NH2+][C@@H](CC(=O)Nc1cccc(Cl)c1)C(=O)[O-] ZINC000100909040 559141583 /nfs/dbraw/zinc/14/15/83/559141583.db2.gz XVMOUBSFECQDTM-FQEVSTJZSA-N 0 0 410.986 5.632 40 30 HKEBRN CCCCCCCCCCCC[NH2+][C@H](CC(=O)Nc1cccc(Cl)c1)C(=O)[O-] ZINC000100909043 559141587 /nfs/dbraw/zinc/14/15/87/559141587.db2.gz XVMOUBSFECQDTM-HXUWFJFHSA-N 0 0 410.986 5.632 40 30 HKEBRN COc1ccc(C(=O)O/N=C2/CC(C)(C)Cc3c2cc(C)n3-c2ccccc2)cc1 ZINC000100920939 559141720 /nfs/dbraw/zinc/14/17/20/559141720.db2.gz WDYGVPFAHZSFEP-ROMGYVFFSA-N 0 0 402.494 5.328 40 30 HKEBRN CCCCCCCCCCCCS(=O)(=O)Nc1cc(-c2ccccc2)ccc1O ZINC000100922124 559141778 /nfs/dbraw/zinc/14/17/78/559141778.db2.gz MKSOYTLDCKKZOE-UHFFFAOYSA-N 0 0 417.615 6.722 40 30 HKEBRN CCCCCCCCCCCCCCCCSCc1ccc(O)c2ncccc12 ZINC000100925736 559141908 /nfs/dbraw/zinc/14/19/08/559141908.db2.gz PTDCGSXDEVEFLL-UHFFFAOYSA-N 0 0 415.687 8.655 40 30 HKEBRN CCCCCCCCCCCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccccc1 ZINC000100926868 559141878 /nfs/dbraw/zinc/14/18/78/559141878.db2.gz GTSLMWBCDUKAHO-JOCHJYFZSA-N 0 0 400.563 5.983 40 30 HKEBRN CCCCCCCCCCCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccccc1 ZINC000100926869 559141928 /nfs/dbraw/zinc/14/19/28/559141928.db2.gz GTSLMWBCDUKAHO-QFIPXVFZSA-N 0 0 400.563 5.983 40 30 HKEBRN CCCCCCCCCCCC(=O)c1cc(C)cc(Br)c1OC(C)=O ZINC000100928103 559141848 /nfs/dbraw/zinc/14/18/48/559141848.db2.gz CRMIMFBXGQUJAU-UHFFFAOYSA-N 0 0 411.380 6.786 40 30 HKEBRN CCCCCCCCC/C(=N\O)c1ccc(OCC(=O)N2CCCCC2)cc1O ZINC000100930229 559141920 /nfs/dbraw/zinc/14/19/20/559141920.db2.gz UHBDBYIWRYGJBU-DARPEHSRSA-N 0 0 404.551 5.103 40 30 HKEBRN CCCCCCCCCCCCCCC/C(=N\OC(=O)NC)c1cc(C)ccc1O ZINC000100930291 559141860 /nfs/dbraw/zinc/14/18/60/559141860.db2.gz TVXNHJMGIMNWRO-SLEBQGDGSA-N 0 0 418.622 7.242 40 30 HKEBRN CCCCCCCCCCCCCCCCSC(=S)N(CCC#N)CCC#N ZINC000100931354 559141905 /nfs/dbraw/zinc/14/19/05/559141905.db2.gz SYOCCJLXTIULPY-UHFFFAOYSA-N 0 0 423.736 7.615 40 30 HKEBRN Cc1ccc(/C(=N/C(Cl)=C(Cl)Cl)Sc2nc3ccccc3s2)cc1 ZINC000100931420 559141913 /nfs/dbraw/zinc/14/19/13/559141913.db2.gz AHSJRXZPGDPVAP-JWGURIENSA-N 0 0 413.782 6.987 40 30 HKEBRN Cc1c(C(=O)Nc2ccccc2)oc2c1/C(=N\OC(=O)c1cccs1)CC(C)(C)C2 ZINC000100931438 559141943 /nfs/dbraw/zinc/14/19/43/559141943.db2.gz QHMARXIYQBXHPB-XYGWBWBKSA-N 0 0 422.506 5.435 40 30 HKEBRN CCCCCCCCCCCCCCNC(=O)CCC(=O)N(CCC#N)CCC#N ZINC000100932714 520006410 /nfs/dbraw/zinc/00/64/10/520006410.db2.gz PTVSZRNEEQNQMY-UHFFFAOYSA-N 0 0 418.626 5.240 40 30 HKEBRN COc1ccc(Br)c(/C=N/c2ccc(-c3nc4ccccc4o3)cc2)c1O ZINC000100933748 559141972 /nfs/dbraw/zinc/14/19/72/559141972.db2.gz GLALJNKPQZXULM-FSJBWODESA-N 0 0 423.266 5.722 40 30 HKEBRN Cc1cc2nc(-c3cccc(/N=C/c4ccc(Cl)c([N+](=O)[O-])c4)c3C)oc2c(C)c1 ZINC000100933782 525667853 /nfs/dbraw/zinc/66/78/53/525667853.db2.gz VQNCIPLFTHBIJS-BRJLIKDPSA-N 0 0 419.868 6.732 40 30 HKEBRN CCOc1cc(Br)cc(/C=N/c2ccc(N3CCCCC3)cc2)c1O ZINC000100933848 559141967 /nfs/dbraw/zinc/14/19/67/559141967.db2.gz BOTFUNPFJALNTM-HYARGMPZSA-N 0 0 403.320 5.294 40 30 HKEBRN CCCCCCCCCCCCOc1ccc(/C(Cc2ccccc2)=N/O)c(O)c1 ZINC000100933913 559141997 /nfs/dbraw/zinc/14/19/97/559141997.db2.gz ZFQPAWPHYVDOAN-IMVLJIQESA-N 0 0 411.586 7.113 40 30 HKEBRN CCCCCCCCCCCC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000100933945 519985520 /nfs/dbraw/zinc/98/55/20/519985520.db2.gz GELRVBKCTXWNAU-UHFFFAOYSA-N 0 0 402.582 7.643 40 30 HKEBRN CCCCCCCCCCCCNC(=O)CSC(=S)N(CCC#N)CCC#N ZINC000100934071 520010590 /nfs/dbraw/zinc/01/05/90/520010590.db2.gz NMDYWBQTTSLPPK-UHFFFAOYSA-N 0 0 424.680 5.171 40 30 HKEBRN CCCCCCCCCCCC(=O)c1ccc(OCCCCCCCC)cc1O ZINC000100934096 519986614 /nfs/dbraw/zinc/98/66/14/519986614.db2.gz NXTVBDYMPZGMNE-UHFFFAOYSA-N 0 0 404.635 8.235 40 30 HKEBRN CCCCCCCCCCN(CCOCCO)C(=O)Nc1cccc2ccccc21 ZINC000100934508 559141956 /nfs/dbraw/zinc/14/19/56/559141956.db2.gz ZYBPEPZSJMHWKF-UHFFFAOYSA-N 0 0 414.590 5.823 40 30 HKEBRN CCCCCCCCCCCCCCCCNC(=S)N(CCC#N)CCC#N ZINC000100934574 559141985 /nfs/dbraw/zinc/14/19/85/559141985.db2.gz UPYALJYEZAEIMX-UHFFFAOYSA-N 0 0 406.684 6.472 40 30 HKEBRN CC1(C)CC(N=Nc2ccccc2)=C2C(C1)O[C@@H]([N+](=O)[O-])[C@@H]2c1ccc(Cl)cc1 ZINC000100944164 559142184 /nfs/dbraw/zinc/14/21/84/559142184.db2.gz ZZURGLVLOGGSOR-WLYLGGEESA-N 0 0 411.889 5.599 40 30 HKEBRN CC1(C)CC(N=Nc2ccccc2)=C2C(C1)O[C@H]([N+](=O)[O-])[C@H]2c1ccc(Cl)cc1 ZINC000100944166 559142165 /nfs/dbraw/zinc/14/21/65/559142165.db2.gz ZZURGLVLOGGSOR-WIXHRANISA-N 0 0 411.889 5.599 40 30 HKEBRN CC1(C)CC(N=Nc2ccccc2)=C2C(C1)O[C@H]([N+](=O)[O-])[C@@H]2c1ccc(Cl)cc1 ZINC000100944169 559142133 /nfs/dbraw/zinc/14/21/33/559142133.db2.gz ZZURGLVLOGGSOR-LRRMRFHFSA-N 0 0 411.889 5.599 40 30 HKEBRN Cc1c(/N=C\c2ccc(-c3ccc(C)c(Cl)c3)o2)c(=O)n(-c2ccccc2)n1C ZINC000100948023 559142194 /nfs/dbraw/zinc/14/21/94/559142194.db2.gz KXSKMJFGGQAUHM-QFEZKATASA-N 0 0 405.885 5.457 40 30 HKEBRN CCCCCCCCNC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)o1 ZINC000100950373 559142177 /nfs/dbraw/zinc/14/21/77/559142177.db2.gz GXOJNLUOHCUKSK-UHFFFAOYSA-N 0 0 422.594 6.577 40 30 HKEBRN CCOc1ccccc1/C=N\c1sc2c(c1C(=O)Nc1ccccc1)CCCC2 ZINC000100954016 521451024 /nfs/dbraw/zinc/45/10/24/521451024.db2.gz NSCDNPOXZFZOOQ-XYGWBWBKSA-N 0 0 404.535 6.029 40 30 HKEBRN COc1cccc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)c1O ZINC000100954042 559142283 /nfs/dbraw/zinc/14/22/83/559142283.db2.gz RWLXUQJQHQHEII-OYKKKHCWSA-N 0 0 406.507 5.344 40 30 HKEBRN COc1cccc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)c1OC ZINC000100954046 559142286 /nfs/dbraw/zinc/14/22/86/559142286.db2.gz GPIBJPPJZRUUEI-MYYYXRDXSA-N 0 0 420.534 5.647 40 30 HKEBRN Cc1[nH]c2ccccc2c1/C=N\c1sc2c(c1C(=O)NC1CCCCC1)CCCC2 ZINC000100958819 559142287 /nfs/dbraw/zinc/14/22/87/559142287.db2.gz KRLLQKBQADHBDF-YSMPRRRNSA-N 0 0 419.594 6.230 40 30 HKEBRN O=C(NC1CCCCC1)c1c2c(sc1/N=C\c1cccc3ccccc13)CCCC2 ZINC000100958827 559142262 /nfs/dbraw/zinc/14/22/62/559142262.db2.gz NLGRIBCHQMYIMP-PKAZHMFMSA-N 0 0 416.590 6.593 40 30 HKEBRN CCCCCCCCS(=O)(=O)Nc1ccc(Cl)cc1/C(=N/O)c1ccccc1 ZINC000100959428 559142276 /nfs/dbraw/zinc/14/22/76/559142276.db2.gz GBULNHOYHZPYDV-XTQSDGFTSA-N 0 0 422.978 5.669 40 30 HKEBRN CCCCCCCCS(=O)(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000100959456 559142294 /nfs/dbraw/zinc/14/22/94/559142294.db2.gz WNGPZKMJAGDIDT-UHFFFAOYSA-N 0 0 407.963 5.673 40 30 HKEBRN CCCCCCCSCCSc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000100977424 559142439 /nfs/dbraw/zinc/14/24/39/559142439.db2.gz MDCPCHXNCBDLFH-UHFFFAOYSA-N 0 0 417.596 6.622 40 30 HKEBRN CC1=NN(c2c(Cl)cc(Cl)cc2Cl)C(=O)/C1=N/c1ccc(N(C)C)cc1 ZINC000100998845 559142570 /nfs/dbraw/zinc/14/25/70/559142570.db2.gz LVDUSHUVZHWEOM-CJLVFECKSA-N 0 0 409.704 5.208 40 30 HKEBRN Cc1n[nH]c(C)c1Sc1ccccc1/N=C/c1ccc(-c2ccccc2Cl)o1 ZINC000101002532 559142640 /nfs/dbraw/zinc/14/26/40/559142640.db2.gz ZBNHORGVTOUXTB-ZMOGYAJESA-N 0 0 407.926 6.842 40 30 HKEBRN O=C(/C=C/c1c(F)c(F)c(F)c(F)c1F)/C=C/c1c(F)c(F)c(F)c(F)c1F ZINC000101003596 559142638 /nfs/dbraw/zinc/14/26/38/559142638.db2.gz JBSHCVPSXHZNOJ-ZPUQHVIOSA-N 0 0 414.198 5.373 40 30 HKEBRN CCCCCCCCCCOc1ccc(/C=C/C(=O)Oc2ccc(C=O)cc2)cc1 ZINC000101005031 559142624 /nfs/dbraw/zinc/14/26/24/559142624.db2.gz XITSFJTWCCDJMY-XMHGGMMESA-N 0 0 408.538 6.637 40 30 HKEBRN CCCCCCCc1c(Cl)nc(-c2ccc(OCCCCCC)cc2)nc1Cl ZINC000101005285 520070126 /nfs/dbraw/zinc/07/01/26/520070126.db2.gz RXBOZPVKNZZNMX-UHFFFAOYSA-N 0 0 423.428 7.922 40 30 HKEBRN CCCCCCCCCCCOC(=O)CC(=O)OCCCCCCCCCCC ZINC000101005471 559142621 /nfs/dbraw/zinc/14/26/21/559142621.db2.gz LICACDNCTRZVDX-UHFFFAOYSA-N 0 0 412.655 7.525 40 30 HKEBRN CCCCCCCSc1nnc2c(n1)O[C@@H](c1ccccc1C)Nc1ccccc1-2 ZINC000101007163 559142632 /nfs/dbraw/zinc/14/26/32/559142632.db2.gz DZYOGFDDNBOULD-QFIPXVFZSA-N 0 0 420.582 6.413 40 30 HKEBRN CCCCCCCSc1nnc2c(n1)O[C@H](c1ccccc1C)Nc1ccccc1-2 ZINC000101007165 520065712 /nfs/dbraw/zinc/06/57/12/520065712.db2.gz DZYOGFDDNBOULD-JOCHJYFZSA-N 0 0 420.582 6.413 40 30 HKEBRN O=C1/C(=C/c2ccc(O)c(O)c2)S/C(=N\c2ccc(F)cc2)N1c1ccc(F)cc1 ZINC000101007191 526941528 /nfs/dbraw/zinc/94/15/28/526941528.db2.gz XYJCDQVLQBIUCJ-UZGKJVJGSA-N 0 0 424.428 5.185 40 30 HKEBRN CCCCCCCCOc1ccc(/C=C2\S/C(=N\CC)N(CC)C2=O)cc1OC ZINC000101012772 559142717 /nfs/dbraw/zinc/14/27/17/559142717.db2.gz FSOTVOBFJAZVFD-LWAHSQQZSA-N 0 0 418.603 5.747 40 30 HKEBRN CCCCCCCCOc1ccc(/C=C2\SC(=O)N(CCCC)C2=O)cc1OC ZINC000101013000 559142692 /nfs/dbraw/zinc/14/26/92/559142692.db2.gz JSPYUWMQTQRDGW-FXBPSFAMSA-N 0 0 419.587 6.271 40 30 HKEBRN Cc1n[nH]c(NC=C2C(=O)CC(c3ccccc3)CC2=O)c1-c1ccc(Cl)cc1 ZINC000101020636 559142712 /nfs/dbraw/zinc/14/27/12/559142712.db2.gz USDONPOGQXVINA-UHFFFAOYSA-N 0 0 405.885 5.050 40 30 HKEBRN C=CCn1c(-c2ccc(C)cc2)csc1=Nc1ccc(N=Nc2ccccc2)cc1 ZINC000101024989 519120960 /nfs/dbraw/zinc/12/09/60/519120960.db2.gz AEFXIBIKXVEEHM-DQSJHHFOSA-O 0 0 411.554 7.356 40 30 HKEBRN CCCCCCCCN(CCCCCCCC)C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000101106703 568936427 /nfs/dbraw/zinc/93/64/27/568936427.db2.gz NWBLBUAUGLEPEH-UHFFFAOYSA-N 0 0 403.695 7.752 40 30 HKEBRN COc1ccc(NC(=O)c2c3c(sc2/N=C/c2ccc(Cl)cc2)CCCC3)cc1 ZINC000101183393 560554336 /nfs/dbraw/zinc/55/43/36/560554336.db2.gz OKDMEVLEFXXOGF-AFUMVMLFSA-N 0 0 424.953 6.292 40 30 HKEBRN C=C1CC[C@H](O)C/C1=C/C=C1/CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)/C=C\[C@H](C)C(C)(C)O ZINC000101187138 569352562 /nfs/dbraw/zinc/35/25/62/569352562.db2.gz KJKIIUAXZGLUND-QYOVYPFMSA-N 0 0 412.658 6.756 40 30 HKEBRN COCc1cc(C)nc(N=NCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c1C#N ZINC000101349982 560728584 /nfs/dbraw/zinc/72/85/84/560728584.db2.gz APGHDAMMUJQFAQ-ZMFRSBBQSA-N 0 0 408.546 5.155 40 30 HKEBRN CCCCCCCOc1cc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2C)ccc1Cl ZINC000101366950 559146691 /nfs/dbraw/zinc/14/66/91/559146691.db2.gz NTKJEISIPXDXKC-QFBILLFUSA-N 0 0 402.000 5.546 40 30 HKEBRN CCCCCCCOc1cc(S(=O)(=O)N[C@H]2CCCC[C@@H]2C)ccc1Cl ZINC000101366951 520062561 /nfs/dbraw/zinc/06/25/61/520062561.db2.gz NTKJEISIPXDXKC-LPHOPBHVSA-N 0 0 402.000 5.546 40 30 HKEBRN CCCCCCCOc1cc(S(=O)(=O)N[C@@H]2CCCC[C@H]2C)ccc1Cl ZINC000101366952 559146690 /nfs/dbraw/zinc/14/66/90/559146690.db2.gz NTKJEISIPXDXKC-VQIMIIECSA-N 0 0 402.000 5.546 40 30 HKEBRN CCCCCCCOc1cc(S(=O)(=O)N[C@H]2CCCC[C@H]2C)ccc1Cl ZINC000101366954 559146662 /nfs/dbraw/zinc/14/66/62/559146662.db2.gz NTKJEISIPXDXKC-APWZRJJASA-N 0 0 402.000 5.546 40 30 HKEBRN O=C1/C(=C\c2ccc(Cl)cc2)S/C(=N\c2ccccc2)N1CCc1ccccc1 ZINC000101433945 560728795 /nfs/dbraw/zinc/72/87/95/560728795.db2.gz UTTKTFFMPYZHJB-GVPYCIPCSA-N 0 0 418.949 6.187 40 30 HKEBRN Clc1ccc(/N=C\c2ccc(/C=N\c3ccc(Cl)c(Cl)c3)cc2)cc1Cl ZINC000101437537 559146933 /nfs/dbraw/zinc/14/69/33/559146933.db2.gz LDOOKAXZJXPUPG-RSKRUZOQSA-N 0 0 422.142 7.801 40 30 HKEBRN Clc1ccc(/N=C/c2ccc(/C=N\c3ccc(Cl)c(Cl)c3)cc2)cc1Cl ZINC000101437539 559146922 /nfs/dbraw/zinc/14/69/22/559146922.db2.gz LDOOKAXZJXPUPG-UIXGLJBASA-N 0 0 422.142 7.801 40 30 HKEBRN CN(C)c1ccc(/C=N\c2ccc3c(c2)C2c4ccccc4C3c3ccccc32)cc1 ZINC000101445005 522135767 /nfs/dbraw/zinc/13/57/67/522135767.db2.gz LWZIHSFJDJCOMQ-YKQZZPSBSA-N 0 0 400.525 6.490 40 30 HKEBRN O=C(/C=C/c1ccc(O)cc1)C(C(=O)/C=C/c1ccc(O)cc1)=C1SCCCS1 ZINC000101461089 559146998 /nfs/dbraw/zinc/14/69/98/559146998.db2.gz LBCBRTKXAHUXNU-PWHKKFIBSA-N 0 0 424.543 5.044 40 30 HKEBRN Clc1ccc(/N=C\c2ccc(/C=N\c3ccc(Cl)cc3Cl)cc2)c(Cl)c1 ZINC000101472916 559147077 /nfs/dbraw/zinc/14/70/77/559147077.db2.gz UHVFNMCTNHHFSD-RSKRUZOQSA-N 0 0 422.142 7.801 40 30 HKEBRN Clc1ccc(/N=C/c2ccc(/C=N\c3ccc(Cl)cc3Cl)cc2)c(Cl)c1 ZINC000101472918 559147085 /nfs/dbraw/zinc/14/70/85/559147085.db2.gz UHVFNMCTNHHFSD-UIXGLJBASA-N 0 0 422.142 7.801 40 30 HKEBRN CCOC(=O)c1c(N=CN(C)C)sc(C=NNc2ccccc2)c1-c1ccccc1 ZINC000101474099 569050222 /nfs/dbraw/zinc/05/02/22/569050222.db2.gz GTAGFDFJTCRVPB-HHBCHXPSSA-N 0 0 420.538 5.259 40 30 HKEBRN COc1cccc(/C=C2/S/C(=N\c3ccccc3)N(CCc3ccccc3)C2=O)c1 ZINC000101503486 560728897 /nfs/dbraw/zinc/72/88/97/560728897.db2.gz QXHWQTXDXQAVEQ-LVCNHQDNSA-N 0 0 414.530 5.542 40 30 HKEBRN CCCCOc1ccc(/C=C2/S/C(=N\c3ccccc3)N(CCC)C2=O)cc1OC ZINC000101509294 520853105 /nfs/dbraw/zinc/85/31/05/520853105.db2.gz KASCGXRAVPMECK-AIQBXGKYSA-N 0 0 424.566 5.888 40 30 HKEBRN CCN1C(=O)/C(=C\c2c(OC)ccc3ccccc32)S/C1=N\c1ccc(C)cc1 ZINC000101510515 521515029 /nfs/dbraw/zinc/51/50/29/521515029.db2.gz CJWNZLNBUZZUNA-LBMUFILHSA-N 0 0 402.519 5.781 40 30 HKEBRN COc1ccccc1/C=C/C(=O)C(C(=O)c1ccccc1)=C1SCCCCS1 ZINC000101510524 559147176 /nfs/dbraw/zinc/14/71/76/559147176.db2.gz CMSBCZABXBCESI-BUHFOSPRSA-N 0 0 410.560 5.632 40 30 HKEBRN COc1ccc(/C=C/C(=O)C(C(=O)c2ccccc2)=C2SCCCCS2)cc1 ZINC000101510527 559147171 /nfs/dbraw/zinc/14/71/71/559147171.db2.gz CDWMHMJARWVYLT-SDNWHVSQSA-N 0 0 410.560 5.632 40 30 HKEBRN CCCCCCCCCCOc1ccc(C(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)cc1 ZINC000101510722 560728889 /nfs/dbraw/zinc/72/88/89/560728889.db2.gz BCURXPBCRVGFAN-DNRSQYFGSA-N 0 0 416.646 7.824 40 30 HKEBRN CCCCCCCCCCOc1ccc(C(=O)O[C@H]2C[C@H](C)CC[C@@H]2C(C)C)cc1 ZINC000101510723 560728872 /nfs/dbraw/zinc/72/88/72/560728872.db2.gz BCURXPBCRVGFAN-RCXJIHSJSA-N 0 0 416.646 7.824 40 30 HKEBRN CCCCCCCCCCOc1ccc(C(=O)O[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)cc1 ZINC000101510724 520022279 /nfs/dbraw/zinc/02/22/79/520022279.db2.gz BCURXPBCRVGFAN-HDYLNDSGSA-N 0 0 416.646 7.824 40 30 HKEBRN CCCCCCCCCCOc1ccc(C(=O)O[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)cc1 ZINC000101510726 560728878 /nfs/dbraw/zinc/72/88/78/560728878.db2.gz BCURXPBCRVGFAN-DFCKQENNSA-N 0 0 416.646 7.824 40 30 HKEBRN C=CCc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C)C2=O)cc(OCC)c1O ZINC000101512084 519124645 /nfs/dbraw/zinc/12/46/45/519124645.db2.gz OUXSMOJRJWRHPX-ZSICUCBDSA-N 0 0 408.523 5.062 40 30 HKEBRN Cc1[nH]c2ccccc2c1/C=C1/S/C(=N\c2ccccc2)N(Cc2ccccc2)C1=O ZINC000101514301 560729004 /nfs/dbraw/zinc/72/90/04/560729004.db2.gz HDBCSHZOZPOVFH-DOGKOTLKSA-N 0 0 423.541 6.281 40 30 HKEBRN COc1cccc(/C=C2/S/C(=N\c3ccccc3)N(Cc3ccccc3)C2=O)c1O ZINC000101514444 560728979 /nfs/dbraw/zinc/72/89/79/560728979.db2.gz MLPOEUHNBFYCTM-LPCFMYKTSA-N 0 0 416.502 5.205 40 30 HKEBRN C/N=C1/S/C(=C/c2c(OCc3ccc(C)cc3)ccc3ccccc32)C(=O)N1C ZINC000101527978 560728995 /nfs/dbraw/zinc/72/89/95/560728995.db2.gz PJEZHUQDSJPTLA-ASAQIREPSA-N 0 0 402.519 5.259 40 30 HKEBRN CCCN1C(=O)/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)S/C1=N\c1ccccc1 ZINC000101538169 521698428 /nfs/dbraw/zinc/69/84/28/521698428.db2.gz JRMLWBQWTKPJIF-CUNGHOPLSA-N 0 0 401.875 5.262 40 30 HKEBRN O=C1/C(=C/c2cc(Cl)ccc2O)S/C(=N/c2ccccc2)N1c1ccccc1 ZINC000101538307 568936299 /nfs/dbraw/zinc/93/62/99/568936299.db2.gz LFMNGFFDCCWSCO-POHHJLCXSA-N 0 0 406.894 5.854 40 30 HKEBRN Cc1ccc2nc(-c3ccc(/N=C/c4cc5c(cc4Cl)OCO5)cc3)sc2c1 ZINC000101539296 560729078 /nfs/dbraw/zinc/72/90/78/560729078.db2.gz OUZUAHQCTRYUPN-BHGWPJFGSA-N 0 0 406.894 6.404 40 30 HKEBRN Cc1ccc(/N=C/c2c(OS(=O)(=O)c3ccc(C)cc3)ccc3ccccc32)cc1 ZINC000101547720 568936451 /nfs/dbraw/zinc/93/64/51/568936451.db2.gz AQLUCYIBDSTWHO-YZSQISJMSA-N 0 0 415.514 5.975 40 30 HKEBRN COc1ccc(/N=C(\c2ccccc2Cl)N(C(C)=O)c2ccc(OC)cc2)cc1 ZINC000101557136 568936461 /nfs/dbraw/zinc/93/64/61/568936461.db2.gz CIVVQNIBNSSPCB-WJTDDFOZSA-N 0 0 408.885 5.489 40 30 HKEBRN O=C(c1ccccc1)C1=C(c2ccccc2)NC(=S)N[C@H]1c1ccccc1Cl ZINC000101571187 568936460 /nfs/dbraw/zinc/93/64/60/568936460.db2.gz IBHIMCIDQYGNIT-NRFANRHFSA-N 0 0 404.922 5.153 40 30 HKEBRN O=C(c1ccccc1)C1=C(c2ccccc2)NC(=S)N[C@@H]1c1ccccc1Cl ZINC000101571191 568936463 /nfs/dbraw/zinc/93/64/63/568936463.db2.gz IBHIMCIDQYGNIT-OAQYLSRUSA-N 0 0 404.922 5.153 40 30 HKEBRN CC1(C)[C@H]2CC[C@]1(C)C(N=Nc1nc(-c3ccc(-c4ccccc4)cc3)cs1)C2 ZINC000101579462 568936411 /nfs/dbraw/zinc/93/64/11/568936411.db2.gz ZZCMYMJPBRHXIB-FRRVSZSTSA-N 0 0 401.579 7.091 40 30 HKEBRN N#Cc1c(=S)[nH]c2c(c1-c1ccc(F)cc1)C(c1ccccc1)=Nc1ccccc1N2 ZINC000101631196 569014738 /nfs/dbraw/zinc/01/47/38/569014738.db2.gz MCKQCLVRAHFNIZ-UHFFFAOYSA-N 0 0 422.488 6.648 40 30 HKEBRN CCCCc1ccc(-n2c(C)cc(/C=C3/S/C(=N/CC)N(CC)C3=O)c2C)cc1 ZINC000101636129 560729165 /nfs/dbraw/zinc/72/91/65/560729165.db2.gz BKDGCRDCQZTYJL-XAFFKLEKSA-N 0 0 409.599 5.749 40 30 HKEBRN CCCCCCCCCCOc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1 ZINC000101660326 559147617 /nfs/dbraw/zinc/14/76/17/559147617.db2.gz CGIUDRVZRSHVSR-UHFFFAOYSA-N 0 0 411.542 6.230 40 30 HKEBRN CCCCCOc1ccc(C2=NOC(=O)/C2=C\c2ccc(Br)cc2)cc1 ZINC000101662496 569015921 /nfs/dbraw/zinc/01/59/21/569015921.db2.gz MNLLAISSGLSIKW-RGEXLXHISA-N 0 0 414.299 5.363 40 30 HKEBRN CCCCCCCOc1ccc(C2=NOC(=O)/C2=C\c2ccc([N+](=O)[O-])cc2)cc1 ZINC000101662589 569015864 /nfs/dbraw/zinc/01/58/64/569015864.db2.gz RMJDPKIYHQMFID-PGMHBOJBSA-N 0 0 408.454 5.289 40 30 HKEBRN CCOc1ccc2ccccc2c1/C=N/c1ccc(I)cc1 ZINC000101667605 521297665 /nfs/dbraw/zinc/29/76/65/521297665.db2.gz PIMYFITWCZFVHU-FYJGNVAPSA-N 0 0 401.247 5.594 40 30 HKEBRN CCCCCCCCCCCCCC[C@@H](CCCCCCC(=O)OC)C(=O)OC ZINC000101673548 569016342 /nfs/dbraw/zinc/01/63/42/569016342.db2.gz UUFMVVDMEZDMBI-QHCPKHFHSA-N 0 0 412.655 7.380 40 30 HKEBRN CCCCCCCCCCCCCC[C@H](CCCCCCC(=O)OC)C(=O)OC ZINC000101673551 569016371 /nfs/dbraw/zinc/01/63/71/569016371.db2.gz UUFMVVDMEZDMBI-HSZRJFAPSA-N 0 0 412.655 7.380 40 30 HKEBRN CCCCCCCCCCC(=O)CCCC(=O)N(c1ccccc1)c1ccccc1 ZINC000101674692 519979018 /nfs/dbraw/zinc/97/90/18/519979018.db2.gz LSVKGIRSBYQWAM-UHFFFAOYSA-N 0 0 407.598 7.622 40 30 HKEBRN CCCCCCCCCCC(=O)CCCC(=O)Nc1ccc(Br)cc1 ZINC000101674708 519978773 /nfs/dbraw/zinc/97/87/73/519978773.db2.gz BBUKOLUJILOPOE-UHFFFAOYSA-N 0 0 410.396 6.658 40 30 HKEBRN Brc1ccc(-c2ccc(/C=N\c3ccc(N4CCOCC4)cc3)o2)cc1 ZINC000101736540 560729527 /nfs/dbraw/zinc/72/95/27/560729527.db2.gz GXHDMJKNGPWJJI-HAHDFKILSA-N 0 0 411.299 5.296 40 30 HKEBRN O=[N+]([O-])c1ccc(-c2ccc(/C=N\c3ccc4c(c3)OCO4)o2)c(Br)c1 ZINC000101736581 560729517 /nfs/dbraw/zinc/72/95/17/560729517.db2.gz QWQKWSVYFHVHLI-UKWGHVSLSA-N 0 0 415.199 5.097 40 30 HKEBRN Cc1ccc(Sc2oc(/C=N\c3ccc4c(c3)OCO4)cc2Br)cc1 ZINC000101746967 525675777 /nfs/dbraw/zinc/67/57/77/525675777.db2.gz JMJQIPGCBWOGHS-FBHDLOMBSA-N 0 0 416.296 5.981 40 30 HKEBRN COc1ccc(/N=C\c2cc(Br)c(Sc3ccc(C)cc3)o2)cn1 ZINC000101748851 560729356 /nfs/dbraw/zinc/72/93/56/560729356.db2.gz GFUDZNOOPYZEJB-JAIQZWGSSA-N 0 0 403.301 5.656 40 30 HKEBRN Oc1ccccc1/N=C\c1cc(Br)c(Sc2ccc(Cl)cc2)o1 ZINC000101754106 560729387 /nfs/dbraw/zinc/72/93/87/560729387.db2.gz ZSPQKNAKQHRSQE-JMIUGGIZSA-N 0 0 408.704 6.303 40 30 HKEBRN Cc1ccc2nc(-c3ccc(/N=C4/c5cccc6c5N(CCC6)C4=O)cc3)sc2c1 ZINC000101763691 526241219 /nfs/dbraw/zinc/24/12/19/526241219.db2.gz NTTRFHJLYOSVSY-ROMGYVFFSA-N 0 0 409.514 5.685 40 30 HKEBRN CCOC(=O)c1ccc(/N=C2/c3cc(CC)cc4c3N(C2=O)C(C)(C)C=C4C)cc1 ZINC000101763772 521464199 /nfs/dbraw/zinc/46/41/99/521464199.db2.gz UEGNPTLRKXDNNR-QLYXXIJNSA-N 0 0 402.494 5.089 40 30 HKEBRN CCCCc1ccc(/N=C2/c3cc(OCC)cc4c3N(C2=O)C(C)(C)C=C4C)cc1 ZINC000101763907 559147929 /nfs/dbraw/zinc/14/79/29/559147929.db2.gz DYWZTMPFOYEHTO-VYIQYICTSA-N 0 0 402.538 6.091 40 30 HKEBRN Cc1ccc(/N=C2/c3cccc4c3N(C2=O)C(C)(C)C[C@@]4(C)c2ccccc2)cc1C ZINC000101764056 559147946 /nfs/dbraw/zinc/14/79/46/559147946.db2.gz QFXGGIWLVCUSHO-VEVGFDJISA-N 0 0 408.545 6.259 40 30 HKEBRN Cc1ccc(/N=C2/c3cccc4c3N(C2=O)C(C)(C)C[C@]4(C)c2ccccc2)cc1C ZINC000101764059 559147918 /nfs/dbraw/zinc/14/79/18/559147918.db2.gz QFXGGIWLVCUSHO-PHHYILGUSA-N 0 0 408.545 6.259 40 30 HKEBRN Cc1cc(C)cc(/N=C2/c3cccc4c3N(C2=O)C(C)(C)C[C@@]4(C)c2ccccc2)c1 ZINC000101764086 559147910 /nfs/dbraw/zinc/14/79/10/559147910.db2.gz MLGWUOZIQVXYGZ-VEVGFDJISA-N 0 0 408.545 6.259 40 30 HKEBRN Cc1cc(C)cc(/N=C2/c3cccc4c3N(C2=O)C(C)(C)C[C@]4(C)c2ccccc2)c1 ZINC000101764092 559147923 /nfs/dbraw/zinc/14/79/23/559147923.db2.gz MLGWUOZIQVXYGZ-PHHYILGUSA-N 0 0 408.545 6.259 40 30 HKEBRN Cc1cc2c3c(c1)[C@@H](C)CC(C)(C)N3C(=O)/C2=N\c1ccc(Oc2ccccc2)cc1 ZINC000101764145 525627806 /nfs/dbraw/zinc/62/78/06/525627806.db2.gz UYYMWZLOVWLSFG-GIVZKRSOSA-N 0 0 410.517 6.541 40 30 HKEBRN Cc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)/C2=N\c1ccc(Oc2ccccc2)cc1 ZINC000101764149 559147939 /nfs/dbraw/zinc/14/79/39/559147939.db2.gz UYYMWZLOVWLSFG-RJNJXNQDSA-N 0 0 410.517 6.541 40 30 HKEBRN CCc1cc2c3c(c1)[C@@H](C)CC(C)(C)N3C(=O)/C2=N\c1cccc(C(F)(F)F)c1 ZINC000101764476 559147937 /nfs/dbraw/zinc/14/79/37/559147937.db2.gz TZBROLLRLOZKCG-UNRHKWLTSA-N 0 0 400.444 6.021 40 30 HKEBRN CCc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)/C2=N\c1cccc(C(F)(F)F)c1 ZINC000101764480 559147925 /nfs/dbraw/zinc/14/79/25/559147925.db2.gz TZBROLLRLOZKCG-UKAFKNFTSA-N 0 0 400.444 6.021 40 30 HKEBRN CCc1cc2c3c(c1)[C@@H](C)CC(C)(C)N3C(=O)/C2=N\c1ccc(Cl)c(Cl)c1 ZINC000101764486 559147953 /nfs/dbraw/zinc/14/79/53/559147953.db2.gz HXWFJLDEDOGQHX-QQXIEXKDSA-N 0 0 401.337 6.309 40 30 HKEBRN CCc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)/C2=N\c1ccc(Cl)c(Cl)c1 ZINC000101764491 559147934 /nfs/dbraw/zinc/14/79/34/559147934.db2.gz HXWFJLDEDOGQHX-PBEZBYSDSA-N 0 0 401.337 6.309 40 30 HKEBRN CCc1cc2c3c(c1)[C@@H](C)CC(C)(C)N3C(=O)/C2=N\c1cc(Cl)cc(Cl)c1 ZINC000101764514 559147920 /nfs/dbraw/zinc/14/79/20/559147920.db2.gz VROFIPDBTRJPLS-QQXIEXKDSA-N 0 0 401.337 6.309 40 30 HKEBRN CCc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)/C2=N\c1cc(Cl)cc(Cl)c1 ZINC000101764517 523851603 /nfs/dbraw/zinc/85/16/03/523851603.db2.gz VROFIPDBTRJPLS-PBEZBYSDSA-N 0 0 401.337 6.309 40 30 HKEBRN COc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)/C2=N\c1cc(Cl)cc(Cl)c1 ZINC000101764537 523056672 /nfs/dbraw/zinc/05/66/72/523056672.db2.gz LTEJOJGHZUXRLK-ZHUHTFJQSA-N 0 0 403.309 5.755 40 30 HKEBRN COc1cc2c3c(c1)[C@@H](C)CC(C)(C)N3C(=O)/C2=N\c1cc(Cl)cc(Cl)c1 ZINC000101764541 559147955 /nfs/dbraw/zinc/14/79/55/559147955.db2.gz LTEJOJGHZUXRLK-XTKXSTFYSA-N 0 0 403.309 5.755 40 30 HKEBRN CCCCc1ccc(/N=C2/c3cc(OCC)cc4c3N(C2=O)C(C)(C)C[C@@H]4C)cc1 ZINC000101764577 521269578 /nfs/dbraw/zinc/26/95/78/521269578.db2.gz RPIMGSNRIBNPKN-TVLIFYJGSA-N 0 0 404.554 6.181 40 30 HKEBRN CCCCc1ccc(/N=C2/c3cc(OCC)cc4c3N(C2=O)C(C)(C)C[C@H]4C)cc1 ZINC000101764582 521270280 /nfs/dbraw/zinc/27/02/80/521270280.db2.gz RPIMGSNRIBNPKN-BUXPXJLHSA-N 0 0 404.554 6.181 40 30 HKEBRN CCOc1cc2c3c(c1)[C@@H](C)CC(C)(C)N3C(=O)/C2=N\c1cccc(C(F)(F)F)c1 ZINC000101764837 559147932 /nfs/dbraw/zinc/14/79/32/559147932.db2.gz NSTPWNKRFTUNNG-UNRHKWLTSA-N 0 0 416.443 5.857 40 30 HKEBRN CCOc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)/C2=N\c1cccc(C(F)(F)F)c1 ZINC000101764842 520803908 /nfs/dbraw/zinc/80/39/08/520803908.db2.gz NSTPWNKRFTUNNG-UKAFKNFTSA-N 0 0 416.443 5.857 40 30 HKEBRN CCOc1cc2c3c(c1)[C@@H](C)CC(C)(C)N3C(=O)/C2=N\c1ccc(Cl)c(Cl)c1 ZINC000101764861 559147942 /nfs/dbraw/zinc/14/79/42/559147942.db2.gz NLIFPNPCCRCMKI-QQXIEXKDSA-N 0 0 417.336 6.145 40 30 HKEBRN CCOc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)/C2=N\c1ccc(Cl)c(Cl)c1 ZINC000101764867 559147916 /nfs/dbraw/zinc/14/79/16/559147916.db2.gz NLIFPNPCCRCMKI-PBEZBYSDSA-N 0 0 417.336 6.145 40 30 HKEBRN C=C1CC[C@H](O)C/C1=C\C=C1\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)/C=C/[C@H](C)C(C)(C)O ZINC000101793969 569018921 /nfs/dbraw/zinc/01/89/21/569018921.db2.gz KJKIIUAXZGLUND-UURWAHJLSA-N 0 0 412.658 6.756 40 30 in-vitro HKEBRN C=C1/C(=C/C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C/[C@H](C)C(C)C)C[C@@H](O)C[C@@H]1O ZINC000101793973 569352567 /nfs/dbraw/zinc/35/25/67/569352567.db2.gz HKXBNHCUPKIYDM-VHKYCACESA-N 0 0 412.658 6.612 40 30 in-vitro HKEBRN N#Cc1c2c(sc1/N=C\c1ccc(-c3ccc(Br)cc3)o1)CCCC2 ZINC000101853596 560730025 /nfs/dbraw/zinc/73/00/25/560730025.db2.gz QZWYETDIHRZMDY-FMCGGJTJSA-N 0 0 411.324 6.272 40 30 HKEBRN COc1ccc(OC)c(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)c1 ZINC000101892097 560729958 /nfs/dbraw/zinc/72/99/58/560729958.db2.gz BHBZYHBVPPOZLC-MYYYXRDXSA-N 0 0 420.534 5.647 40 30 HKEBRN CC(C)(C)[C@@H]1CCc2c(sc(/N=C\c3ccccc3)c2C(=O)Nc2ccccc2)C1 ZINC000101892154 560729936 /nfs/dbraw/zinc/72/99/36/560729936.db2.gz RSIOQRFUJGTMTP-VXIMLZEYSA-N 0 0 416.590 6.902 40 30 HKEBRN CC(C)(C)[C@H]1CCc2c(sc(/N=C\c3ccccc3)c2C(=O)Nc2ccccc2)C1 ZINC000101892159 560729957 /nfs/dbraw/zinc/72/99/57/560729957.db2.gz RSIOQRFUJGTMTP-QRKUKRBDSA-N 0 0 416.590 6.902 40 30 HKEBRN C[C@@H](c1ccccc1)N1C(=O)/C(=C\c2c[nH]c3ccccc23)S/C1=N\c1ccccc1 ZINC000101948890 560730179 /nfs/dbraw/zinc/73/01/79/560730179.db2.gz DPNXZWNATNDIKH-NXQACGOGSA-N 0 0 423.541 6.533 40 30 HKEBRN COc1ccc(N2Cc3ccccc3/C2=N\C(=O)c2ccc(Br)cc2)cc1 ZINC000102012210 569050203 /nfs/dbraw/zinc/05/02/03/569050203.db2.gz RRDLQEFDKFKGQC-DARPEHSRSA-N 0 0 421.294 5.065 40 30 HKEBRN CCCCCCC[C@H]1C(=O)C[C@@H](c2ccc(OC)cc2)N[C@H]1c1ccc(OC)cc1 ZINC000102128957 569031616 /nfs/dbraw/zinc/03/16/16/569031616.db2.gz MQYJBRIBYJJYCI-GNKBHMEESA-N 0 0 409.570 6.025 40 30 HKEBRN CCCCCCCCCCc1c(C)nc(Nc2nc(C)c3ccccc3n2)[nH]c1=O ZINC000102241471 559149645 /nfs/dbraw/zinc/14/96/45/559149645.db2.gz FWIUMJHHSRVLFX-UHFFFAOYSA-N 0 0 407.562 5.757 40 30 HKEBRN CCCCCCCCCCc1c(C)nc(Nc2nc(C)c3ccc(C)cc3n2)[nH]c1=O ZINC000102241482 559149687 /nfs/dbraw/zinc/14/96/87/559149687.db2.gz ZCCFAKDSHUTFAH-UHFFFAOYSA-N 0 0 421.589 6.065 40 30 HKEBRN C=C1/C(=C/C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C\[C@H](C)C(C)C)C[C@@H](O)C[C@@H]1O ZINC000102249901 569352586 /nfs/dbraw/zinc/35/25/86/569352586.db2.gz HKXBNHCUPKIYDM-XFYXZQDYSA-N 0 0 412.658 6.612 40 30 HKEBRN C=C1/C(=C/C=C2\CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C\[C@H](C)C(C)C)C[C@@H](O)C[C@@H]1O ZINC000102249909 569352585 /nfs/dbraw/zinc/35/25/85/569352585.db2.gz HKXBNHCUPKIYDM-FHAGRVPJSA-N 0 0 412.658 6.612 40 30 world HKEBRN CCCCCCCC[NH2+]Cc1cc(Br)cc(Br)c1OCC ZINC000102561698 560731178 /nfs/dbraw/zinc/73/11/78/560731178.db2.gz TUFHMOFRGGCGPG-UHFFFAOYSA-N 0 0 421.217 6.060 40 30 HKEBRN O=C(/N=C1\c2ccccc2CN1c1ccc(F)c(Cl)c1)c1cccnc1Cl ZINC000102662423 569041183 /nfs/dbraw/zinc/04/11/83/569041183.db2.gz UGTBVJXQSIYKMY-NCELDCMTSA-N 0 0 400.240 5.135 40 30 HKEBRN CC1[C@H]2CCCC[C@@]2(C#N)N(Cc2ccccc2C(F)(F)F)[C@]2(C#N)CCCC[C@H]12 ZINC000102668736 559151882 /nfs/dbraw/zinc/15/18/82/559151882.db2.gz SOTMWCFQLUSXKP-SCPDWHHUSA-N 0 0 415.503 6.062 40 30 HKEBRN CC1[C@H]2CCCC[C@@]2(C#N)N(Cc2ccccc2C(F)(F)F)[C@]2(C#N)CCCC[C@@H]12 ZINC000102668740 560731494 /nfs/dbraw/zinc/73/14/94/560731494.db2.gz SOTMWCFQLUSXKP-DHDFEYNSSA-N 0 0 415.503 6.062 40 30 HKEBRN O=[N+]([O-])c1ccc(Cl)c(-c2ccc(/C=N/c3ccc(Br)cc3)o2)c1 ZINC000102787040 559152863 /nfs/dbraw/zinc/15/28/63/559152863.db2.gz SYQHXVITBCTHFH-KEBDBYFISA-N 0 0 405.635 6.021 40 30 HKEBRN COc1ccc(/C=N/c2ccccc2-c2ccccc2/N=C/c2ccc(OC)cc2)cc1 ZINC000102787378 523456370 /nfs/dbraw/zinc/45/63/70/523456370.db2.gz JKURSBUBEYCHAZ-CZYCKNNWSA-N 0 0 420.512 6.872 40 30 HKEBRN CC1(C)CC(=O)C2=C(C1)Oc1ccc3ccccc3c1[C@H]2C1C(=O)CC(C)(C)CC1=O ZINC000102791225 559152866 /nfs/dbraw/zinc/15/28/66/559152866.db2.gz SKRQNNVOEZWTIA-VWLOTQADSA-N 0 0 416.517 6.160 40 30 HKEBRN CC1(C)CC(=O)C2=C(C1)Oc1ccc3ccccc3c1[C@@H]2C1C(=O)CC(C)(C)CC1=O ZINC000102791226 559152878 /nfs/dbraw/zinc/15/28/78/559152878.db2.gz SKRQNNVOEZWTIA-RUZDIDTESA-N 0 0 416.517 6.160 40 30 HKEBRN O=C1C=CC2=N[C@@]34CCCC[C@H]3[C@@H](c3ccccc3)C=C(c3ccc(O)cc3)N4C2=C1 ZINC000102805391 559152949 /nfs/dbraw/zinc/15/29/49/559152949.db2.gz SNOJHUGTPWMMOU-QSEAXJEQSA-N 0 0 408.501 5.196 40 30 HKEBRN O=C1C=CC2=N[C@@]34CCCC[C@H]3[C@H](c3ccccc3)C=C(c3ccc(O)cc3)N4C2=C1 ZINC000102805395 559152979 /nfs/dbraw/zinc/15/29/79/559152979.db2.gz SNOJHUGTPWMMOU-VMODYCNZSA-N 0 0 408.501 5.196 40 30 HKEBRN Cc1nn(-c2ccccc2)c(N2CCCCC2)c1/C=N/c1ccc(Br)cc1 ZINC000102909663 569042079 /nfs/dbraw/zinc/04/20/79/569042079.db2.gz QYTRIVCKXUAGBM-LFVJCYFKSA-N 0 0 423.358 5.684 40 30 HKEBRN Cc1ccc(/C=C2/S/C(=N/c3cccc(C)c3)N(Cc3cccs3)C2=O)cc1 ZINC000102923066 569042175 /nfs/dbraw/zinc/04/21/75/569042175.db2.gz RGMSYAQWTQTPDG-IZSQXYTLSA-N 0 0 404.560 6.169 40 30 HKEBRN Cc1cccc(C(=O)/N=C2\c3ccccc3CN2c2cccc(Oc3ccccc3)c2)c1 ZINC000102923211 569042154 /nfs/dbraw/zinc/04/21/54/569042154.db2.gz ARQBNTYYMSVVDH-ORIPQNMZSA-N 0 0 418.496 6.395 40 30 HKEBRN O=C1/C(=C/c2ccc(Cl)cc2)S/C(=N\c2ccccc2)N1CCC1=CCCCC1 ZINC000102925416 526940381 /nfs/dbraw/zinc/94/03/81/526940381.db2.gz JPEMQYONTONKPQ-CVXQDMMISA-N 0 0 422.981 6.835 40 30 HKEBRN C[C@@H](c1ccccc1)N1C(=O)/C(=C/c2ccc(Cl)cc2)S/C1=N\c1ccccc1 ZINC000102925428 569042144 /nfs/dbraw/zinc/04/21/44/569042144.db2.gz CXJQJYIJHWEYQN-MQPDMMFLSA-N 0 0 418.949 6.705 40 30 HKEBRN O=C1/C(=C\c2ccc(Cl)cc2)S/C(=N\c2ccccc2)N1Cc1ccccc1 ZINC000102925447 526946590 /nfs/dbraw/zinc/94/65/90/526946590.db2.gz OYEDIWAISPLENA-DBSKITMISA-N 0 0 404.922 6.144 40 30 HKEBRN COc1cccc(C(=O)/N=C2\c3ccccc3CN2c2cc(Cl)cc(Cl)c2)c1 ZINC000102934240 525783365 /nfs/dbraw/zinc/78/33/65/525783365.db2.gz USRLXYFLOOQIFX-NJNXFGOHSA-N 0 0 411.288 5.609 40 30 HKEBRN COc1cc(/C=N/c2cccc(Br)c2)ccc1OC(=O)c1ccco1 ZINC000102934890 569042187 /nfs/dbraw/zinc/04/21/87/569042187.db2.gz LFAOXXNNZPGMSA-CIAFOILYSA-N 0 0 400.228 5.021 40 30 HKEBRN CCOc1ccccc1/N=C/c1ccc(OC(=O)c2ccc(OC)cc2)c(OC)c1 ZINC000102935812 521450662 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FCRDNJYLCIIJLF-AIQBXGKYSA-N 0 0 400.503 5.894 40 30 HKEBRN Clc1ccc(-c2ccc(/C=N\c3ccc(N4CCOCC4)cc3)o2)c(Cl)c1 ZINC000103842864 526932719 /nfs/dbraw/zinc/93/27/19/526932719.db2.gz XBRPAYKTIZZVTN-OYKKKHCWSA-N 0 0 401.293 5.841 40 30 HKEBRN Cc1cccc(/C=N\c2ccc(-c3ccc(/N=C\c4cccc(C)c4O)cc3)cc2)c1O ZINC000103893363 559157245 /nfs/dbraw/zinc/15/72/45/559157245.db2.gz JHOYSQJJZDPVRT-LZUTUTKMSA-N 0 0 420.512 6.883 40 30 HKEBRN Cc1cccc(/C=N/c2ccc(-c3ccc(/N=C\c4cccc(C)c4O)cc3)cc2)c1O ZINC000103893366 559157248 /nfs/dbraw/zinc/15/72/48/559157248.db2.gz JHOYSQJJZDPVRT-QCOHSWCKSA-N 0 0 420.512 6.883 40 30 HKEBRN CCCCCCCCOc1ccc(/C=c2/sc3nc4ccccc4n3c2=O)cc1 ZINC000103956375 569050067 /nfs/dbraw/zinc/05/00/67/569050067.db2.gz ZRPITAVHMRRPIV-OQKWZONESA-N 0 0 406.551 5.196 40 30 HKEBRN c1ccc(C/N=C2/c3ccccc3[C@@]3(c4ccccc4)[C@@H]2N3Cc2ccccc2)cc1 ZINC000104045530 559157499 /nfs/dbraw/zinc/15/74/99/559157499.db2.gz ZCLGJVKIUWRQMS-OGDZZGGXSA-N 0 0 400.525 5.818 40 30 HKEBRN COc1ccc(C(=N\c2ccccc2)/C(=N\c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000104046574 559157514 /nfs/dbraw/zinc/15/75/14/559157514.db2.gz CAZWIUFQHGHKHJ-JOKXDOCYSA-N 0 0 420.512 6.646 40 30 HKEBRN COc1ccc(C(=N/c2ccccc2)/C(=N\c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000104046578 559157445 /nfs/dbraw/zinc/15/74/45/559157445.db2.gz CAZWIUFQHGHKHJ-ZUELCTOOSA-N 0 0 420.512 6.646 40 30 HKEBRN CCCCCCCCCCCCCCCCCC(=O)OCC(C)([N+](=O)[O-])[N+](=O)[O-] ZINC000104046605 559157454 /nfs/dbraw/zinc/15/74/54/559157454.db2.gz QIRZEPOZHXLPGK-UHFFFAOYSA-N 0 0 416.559 6.061 40 30 HKEBRN CCCCCCCCc1nc(CCCCCCCC)nc(CCCCCCCC)n1 ZINC000104049953 559157490 /nfs/dbraw/zinc/15/74/90/559157490.db2.gz JREMNSRRCWCJFL-UHFFFAOYSA-N 0 0 417.726 8.581 40 30 HKEBRN CCCCCCCCCCCC(=O)OC(CC[C@@H]1CCCO1)CC[C@@H]1CCCO1 ZINC000104053537 559157505 /nfs/dbraw/zinc/15/75/05/559157505.db2.gz UPNARAPJXYOZGZ-GOTSBHOMSA-N 0 0 410.639 6.738 40 30 HKEBRN CCCCCCCCCCCC(=O)OC(CC[C@H]1CCCO1)CC[C@@H]1CCCO1 ZINC000104053544 559157501 /nfs/dbraw/zinc/15/75/01/559157501.db2.gz UPNARAPJXYOZGZ-VSGJHWFKSA-N 0 0 410.639 6.738 40 30 HKEBRN CCCCCCCCCCCC(=O)OC(CC[C@H]1CCCO1)CC[C@H]1CCCO1 ZINC000104053549 559157481 /nfs/dbraw/zinc/15/74/81/559157481.db2.gz UPNARAPJXYOZGZ-DHIUTWEWSA-N 0 0 410.639 6.738 40 30 HKEBRN CCCCCCCCCCOC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000104053569 559157504 /nfs/dbraw/zinc/15/75/04/559157504.db2.gz ANBFBOGYAIQPLK-UHFFFAOYSA-N 0 0 400.606 8.136 40 30 HKEBRN Clc1ccc(/C=N\c2cccc(N(Cc3ccccc3)Cc3ccccc3)c2)cc1 ZINC000104058461 559157617 /nfs/dbraw/zinc/15/76/17/559157617.db2.gz PCGPHMLKVPOBMV-CEUNXORHSA-N 0 0 410.948 7.297 40 30 HKEBRN C(=C\c1ccccc1)\C=N/c1cccc(N(Cc2ccccc2)Cc2ccccc2)c1 ZINC000104058480 559157607 /nfs/dbraw/zinc/15/76/07/559157607.db2.gz STBXUDANNKPDBL-NSDXQKPXSA-N 0 0 402.541 7.309 40 30 HKEBRN O=C(CC(=CC(O)(c1ccccc1)c1ccccc1)Nc1ccccc1)c1ccccc1 ZINC000104066201 559157620 /nfs/dbraw/zinc/15/76/20/559157620.db2.gz XJGXGZHDJYEUQO-MEFGMAGPSA-N 0 0 419.524 6.192 40 30 HKEBRN O=C(C=C(C=C(c1ccccc1)c1ccccc1)Nc1ccccc1)c1ccccc1 ZINC000104066205 559157611 /nfs/dbraw/zinc/15/76/11/559157611.db2.gz YMWPFYLPHXCDDY-HPNDGRJYSA-N 0 0 401.509 6.997 40 30 HKEBRN C[C@H]1CCC[C@@H]1/C(=N\S(=O)(=O)c1ccc(Cl)c(Cl)c1)N1CCCCC1 ZINC000104075343 559157701 /nfs/dbraw/zinc/15/77/01/559157701.db2.gz NBQUCXZYAGHOST-QARARTDJSA-N 0 0 403.375 5.003 40 30 HKEBRN O=C(Oc1ccc(/N=C\c2ccccc2)cc1)Oc1ccc(/N=C\c2ccccc2)cc1 ZINC000104082298 559157668 /nfs/dbraw/zinc/15/76/68/559157668.db2.gz CJDYJOHCNOYMGT-HNXTVNFMSA-N 0 0 420.468 6.766 40 30 HKEBRN O=C(Oc1ccc(/N=C/c2ccccc2)cc1)Oc1ccc(/N=C\c2ccccc2)cc1 ZINC000104082301 559157717 /nfs/dbraw/zinc/15/77/17/559157717.db2.gz CJDYJOHCNOYMGT-XINFVKEFSA-N 0 0 420.468 6.766 40 30 HKEBRN CCCCCCCCCCCCCCCCS(=O)(=O)N/N=C\c1ccccc1O ZINC000104082412 559157705 /nfs/dbraw/zinc/15/77/05/559157705.db2.gz OCBNPJMBZAFZBT-FLFQWRMESA-N 0 0 424.651 6.127 40 30 HKEBRN CCCCCCCCCCCCCCCCS(=O)(=O)N/N=C/c1ccccc1O ZINC000104082417 559157673 /nfs/dbraw/zinc/15/76/73/559157673.db2.gz OCBNPJMBZAFZBT-DARPEHSRSA-N 0 0 424.651 6.127 40 30 HKEBRN O=C1c2ccccc2C2=C1c1ccccc1[C@@]1(c3ccccc3)C(=O)c3ccccc3[C@@H]21 ZINC000104086228 559157823 /nfs/dbraw/zinc/15/78/23/559157823.db2.gz OCZDUWQNWOTEFF-BHBYDHKZSA-N 0 0 410.472 6.074 40 30 HKEBRN CCN(CC)c1ccc(/N=C2/C=C(C(=O)Nc3ccccc3)C(=O)c3ccccc32)cc1 ZINC000104087346 559157843 /nfs/dbraw/zinc/15/78/43/559157843.db2.gz SOGANZAFQORHIT-FVDSYPCUSA-N 0 0 423.516 5.415 40 30 HKEBRN CCCCCCCCOC(=O)Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1 ZINC000104088432 559157798 /nfs/dbraw/zinc/15/77/98/559157798.db2.gz DCEBJSWVXALYDS-UHFFFAOYSA-N 0 0 410.580 5.207 40 30 HKEBRN CCCCCCCCOC(=O)Nc1ccc(S(=O)(=O)N(CCC)CCC)cc1 ZINC000104088468 559157828 /nfs/dbraw/zinc/15/78/28/559157828.db2.gz PMMYSYQPKNASIL-UHFFFAOYSA-N 0 0 412.596 5.406 40 30 HKEBRN CCOC(=O)Nc1ccc2c(c1)Cc1cc(N=Cc3ccc4c(c3)OCO4)ccc1-2 ZINC000104089602 559157855 /nfs/dbraw/zinc/15/78/55/559157855.db2.gz ZRWIWBUMPIUMED-MXAYSNPKSA-N 0 0 400.434 5.306 40 30 HKEBRN C(=N\N=C(C(=N/N=C\c1ccccc1)\c1ccccc1)/c1ccccc1)\c1ccccc1 ZINC000104091106 560735193 /nfs/dbraw/zinc/73/51/93/560735193.db2.gz POINJGXMPFZOEB-OHUAVFIHSA-N 0 0 414.512 6.033 40 30 HKEBRN C(=N/N=C(C(=N\N=C/c1ccccc1)/c1ccccc1)\c1ccccc1)\c1ccccc1 ZINC000104091111 560735183 /nfs/dbraw/zinc/73/51/83/560735183.db2.gz POINJGXMPFZOEB-CMIMIBBYSA-N 0 0 414.512 6.033 40 30 HKEBRN C(=N\N=C(C(=N\N=C/c1ccccc1)/c1ccccc1)\c1ccccc1)\c1ccccc1 ZINC000104091116 560735201 /nfs/dbraw/zinc/73/52/01/560735201.db2.gz POINJGXMPFZOEB-LISLPQAZSA-N 0 0 414.512 6.033 40 30 HKEBRN C(=N/N=C(C(=N/N=C\c1ccccc1)\c1ccccc1)/c1ccccc1)\c1ccccc1 ZINC000104091121 560735184 /nfs/dbraw/zinc/73/51/84/560735184.db2.gz POINJGXMPFZOEB-SQSCGVKXSA-N 0 0 414.512 6.033 40 30 HKEBRN S=C(N/N=C\c1cccc(OCc2ccccc2)c1)NC12CC3CC(CC(C3)C1)C2 ZINC000104099007 559157890 /nfs/dbraw/zinc/15/78/90/559157890.db2.gz HYKDFLSUZPTTJJ-QQXSKIMKSA-N 0 0 419.594 5.032 40 30 HKEBRN CCCCCCCCCCCCCCCC/C(=C\c1ccc2ccccc2c1)[N+](=O)[O-] ZINC000104103082 559158059 /nfs/dbraw/zinc/15/80/59/559158059.db2.gz SYMPNUSVNHJJER-ZZIIXHQDSA-N 0 0 423.641 9.329 40 30 HKEBRN CCCCCCCCCCCCCCCC/C(=C/c1ccc2ccccc2c1)[N+](=O)[O-] ZINC000104103086 559158066 /nfs/dbraw/zinc/15/80/66/559158066.db2.gz SYMPNUSVNHJJER-COOPMVRXSA-N 0 0 423.641 9.329 40 30 HKEBRN CCCCCCCCCCCCCCC/C(=C\c1ccc2ccccc2c1)[N+](=O)[O-] ZINC000104103090 559158055 /nfs/dbraw/zinc/15/80/55/559158055.db2.gz NULHATKDONUWHY-SLEBQGDGSA-N 0 0 409.614 8.939 40 30 HKEBRN CCCCCCCCCCCCCCC/C(=C/c1ccc2ccccc2c1)[N+](=O)[O-] ZINC000104103095 559158046 /nfs/dbraw/zinc/15/80/46/559158046.db2.gz NULHATKDONUWHY-VYIQYICTSA-N 0 0 409.614 8.939 40 30 HKEBRN CCCCCC(=C\c1ccccc1)/C=N\NC(=S)NC12CC3CC(CC(C3)C1)C2 ZINC000104103366 559158053 /nfs/dbraw/zinc/15/80/53/559158053.db2.gz RTJMMSODBQUTEU-HNTFAUOOSA-N 0 0 409.643 6.069 40 30 HKEBRN CCCCCC(/C=N\NC(=S)NC12CC3CC(CC(C3)C1)C2)=C/c1ccccc1 ZINC000104103370 559158052 /nfs/dbraw/zinc/15/80/52/559158052.db2.gz RTJMMSODBQUTEU-PJLIFIQASA-N 0 0 409.643 6.069 40 30 HKEBRN Cc1ccc(S(=O)(=O)[N-]c2ccccc2/N=C/c2c(O)ccc3ccccc32)cc1 ZINC000104104011 559158048 /nfs/dbraw/zinc/15/80/48/559158048.db2.gz GHOIBIHUGLCMII-PCLIKHOPSA-N 0 0 416.502 5.405 40 30 HKEBRN Cc1ccc(S(=O)(=O)[N-]c2ccccc2/N=C\c2cccc3cccnc23)cc1 ZINC000104104018 559158043 /nfs/dbraw/zinc/15/80/43/559158043.db2.gz GNISQFJOLLZECU-XYGWBWBKSA-N 0 0 401.491 5.095 40 30 HKEBRN CCCCCCCCCCCCCCCCn1c2ccccc2s/c1=N\N=O ZINC000104110395 559158056 /nfs/dbraw/zinc/15/80/56/559158056.db2.gz OZERAVLLCRNHBZ-VHXPQNKSSA-N 0 0 403.636 7.766 40 30 HKEBRN CCCCCCCCCCCCCCCCn1c2ccccc2s/c1=N/N=O ZINC000104110400 559158063 /nfs/dbraw/zinc/15/80/63/559158063.db2.gz OZERAVLLCRNHBZ-WCWDXBQESA-N 0 0 403.636 7.766 40 30 HKEBRN O=c1[nH]c2c(N=Cc3ccc4c(c3)OCO4)cc(Br)cc2c2ccccc12 ZINC000104124686 559158315 /nfs/dbraw/zinc/15/83/15/559158315.db2.gz QUBNKYZPAHFMIG-RMORIDSASA-N 0 0 421.250 5.335 40 30 HKEBRN O=C(N[C@@H](/N=C\c1ccc(Cl)cc1)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000104125987 559158305 /nfs/dbraw/zinc/15/83/05/559158305.db2.gz AKQQYZOQDLATEW-KXQYWQJRSA-N 0 0 417.723 6.195 40 30 HKEBRN O=C(N[C@H](/N=C/c1ccc(Cl)cc1)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000104125997 559158317 /nfs/dbraw/zinc/15/83/17/559158317.db2.gz AKQQYZOQDLATEW-HMHIXTCJSA-N 0 0 417.723 6.195 40 30 HKEBRN CCCCCCCC/C=C\CCCCCCCC(=O)NCCCOCCOCC ZINC000104129138 559158323 /nfs/dbraw/zinc/15/83/23/559158323.db2.gz JVNPLYDIVHQDGD-QXMHVHEDSA-N 0 0 411.671 6.583 40 30 HKEBRN CCCCCCCC/C=C/CCCCCCCC(=O)NCCCOCCOCC ZINC000104129142 559158307 /nfs/dbraw/zinc/15/83/07/559158307.db2.gz JVNPLYDIVHQDGD-VAWYXSNFSA-N 0 0 411.671 6.583 40 30 HKEBRN CCCCCCCCCCCCCCCCSc1ccc(Br)cc1 ZINC000104134573 559158448 /nfs/dbraw/zinc/15/84/48/559158448.db2.gz IGVGAMCTVCTBLR-UHFFFAOYSA-N 0 0 413.509 9.023 40 30 HKEBRN CCCCCCCCCCCCOc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000104134615 559158412 /nfs/dbraw/zinc/15/84/12/559158412.db2.gz MEPMCKHXMRVYQY-UHFFFAOYSA-N 0 0 415.599 8.046 40 30 HKEBRN CN(C)c1ccc(/N=C2\C/C(=N\c3ccc(N(C)C)cc3)C(=O)c3ccccc32)cc1 ZINC000104135248 559158409 /nfs/dbraw/zinc/15/84/09/559158409.db2.gz PSDGZRPAKLWCRC-KNCIMYNLSA-N 0 0 410.521 5.299 40 30 HKEBRN CN(C)c1ccc(/N=C2/C/C(=N/c3ccc(N(C)C)cc3)C(=O)c3ccccc32)cc1 ZINC000104135250 559158424 /nfs/dbraw/zinc/15/84/24/559158424.db2.gz PSDGZRPAKLWCRC-FRUUGIBISA-N 0 0 410.521 5.299 40 30 HKEBRN CN(C)c1ccc(/N=C2\C/C(=N/c3ccc(N(C)C)cc3)C(=O)c3ccccc32)cc1 ZINC000104135252 559158446 /nfs/dbraw/zinc/15/84/46/559158446.db2.gz PSDGZRPAKLWCRC-BOQRKYGMSA-N 0 0 410.521 5.299 40 30 HKEBRN CCCCCCCCCCCCCCCc1cc(=O)n(-c2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000104140702 559158438 /nfs/dbraw/zinc/15/84/38/559158438.db2.gz BTLOZVJCHCNZHK-UHFFFAOYSA-N 0 0 415.578 7.169 40 30 HKEBRN CCCCCCCCCCC(CCCCCCCCCC)c1cccc2ccccc21 ZINC000104141707 559158443 /nfs/dbraw/zinc/15/84/43/559158443.db2.gz ZSBYUESFRFAERN-UHFFFAOYSA-N 0 0 422.741 10.985 40 30 HKEBRN CCCCCCCCCCCCCCCCCCNC(=O)Nc1ccc(C)c(C)c1 ZINC000104143972 559158406 /nfs/dbraw/zinc/15/84/06/559158406.db2.gz XTMXOAFFELFOML-UHFFFAOYSA-N 0 0 416.694 8.686 40 30 HKEBRN CCCCCC(=O)/C=C/C[C@@H](CCCCCCC#N)[C@@H](CC(OC)OC)[N+](=O)[O-] ZINC000104144916 559158394 /nfs/dbraw/zinc/15/83/94/559158394.db2.gz AEBLDRQVETTYBH-VUGUFIJQSA-N 0 0 410.555 5.217 40 30 HKEBRN CCCCCCCCCCC(CCCCCCCCCC)[C@@H]1C[C@H](C)CC[C@@H]1C ZINC000104145418 559158481 /nfs/dbraw/zinc/15/84/81/559158481.db2.gz UPYOZECJBFFKFT-IUAQSZDVSA-N 0 0 406.783 10.737 40 30 HKEBRN CCCCCCCCCCC(CCCCCCCCCC)[C@H]1C[C@H](C)CC[C@@H]1C ZINC000104145422 559158501 /nfs/dbraw/zinc/15/85/01/559158501.db2.gz UPYOZECJBFFKFT-XQFUHLNNSA-N 0 0 406.783 10.737 40 30 HKEBRN CCCCCCCCCCC(CCCCCCCCCC)[C@@H]1C[C@@H](C)CC[C@@H]1C ZINC000104145428 559158511 /nfs/dbraw/zinc/15/85/11/559158511.db2.gz UPYOZECJBFFKFT-HPUNYJORSA-N 0 0 406.783 10.737 40 30 HKEBRN CCCCCCCCCCC(CCCCCCCCCC)[C@H]1C[C@@H](C)CC[C@@H]1C ZINC000104145429 559158471 /nfs/dbraw/zinc/15/84/71/559158471.db2.gz UPYOZECJBFFKFT-YCVJPRETSA-N 0 0 406.783 10.737 40 30 HKEBRN CCCCCCCCC(CCCCCCCC)[C@@H]1C[C@@H]2CCC[C@@H]2[C@H]2CCC[C@@H]21 ZINC000104145450 559158493 /nfs/dbraw/zinc/15/84/93/559158493.db2.gz JSKCOAYGYKRYTA-YTRKHUOHSA-N 0 0 402.751 9.956 40 30 HKEBRN CCCCCCCCC(CCCCCCCC)[C@H]1C[C@@H]2CCC[C@@H]2[C@H]2CCC[C@@H]21 ZINC000104145454 559158491 /nfs/dbraw/zinc/15/84/91/559158491.db2.gz JSKCOAYGYKRYTA-WNJKUOTESA-N 0 0 402.751 9.956 40 30 HKEBRN CCCCCCCCC(CCCCCCCC)[C@@H]1C[C@H]2CCC[C@@H]2[C@H]2CCC[C@@H]21 ZINC000104145459 559158469 /nfs/dbraw/zinc/15/84/69/559158469.db2.gz JSKCOAYGYKRYTA-ZCCUTQAASA-N 0 0 402.751 9.956 40 30 HKEBRN CCCCCCCCC(CCCCCCCC)[C@H]1C[C@H]2CCC[C@@H]2[C@H]2CCC[C@@H]21 ZINC000104145461 559158473 /nfs/dbraw/zinc/15/84/73/559158473.db2.gz JSKCOAYGYKRYTA-FYYQJAJYSA-N 0 0 402.751 9.956 40 30 HKEBRN CCCCCCCCCCCCCCCC[C@@]1(c2ccccc2)NC(=O)NC1=O ZINC000104145914 559158465 /nfs/dbraw/zinc/15/84/65/559158465.db2.gz POUORNAHUUKXTL-VWLOTQADSA-N 0 0 400.607 6.593 40 30 HKEBRN CCCCCCCCCCCCCCCC[C@]1(c2ccccc2)NC(=O)NC1=O ZINC000104145915 559158503 /nfs/dbraw/zinc/15/85/03/559158503.db2.gz POUORNAHUUKXTL-RUZDIDTESA-N 0 0 400.607 6.593 40 30 HKEBRN CCCCCCCCCCCCCCCCCC(=O)OCC[C@@H](C)CCCC(C)C ZINC000104151796 559158507 /nfs/dbraw/zinc/15/85/07/559158507.db2.gz WFIGUHNDAQTVIX-MHZLTWQESA-N 0 0 424.754 9.644 40 30 HKEBRN CCCCCCCCCCCCCCCCCC(=O)OCC[C@H](C)CCCC(C)C ZINC000104151800 559158495 /nfs/dbraw/zinc/15/84/95/559158495.db2.gz WFIGUHNDAQTVIX-HHHXNRCGSA-N 0 0 424.754 9.644 40 30 HKEBRN CCCCCCCCCCCCCCCCCC(=O)Oc1cccc2cccnc21 ZINC000104154510 559158509 /nfs/dbraw/zinc/15/85/09/559158509.db2.gz NSCQSJGIVYLOLP-UHFFFAOYSA-N 0 0 411.630 8.402 40 30 HKEBRN CCCCCCCCCCCCCCCCCCN1C(=O)[C@H]2[C@H]3CC[C@H](O3)[C@@H]2C1=O ZINC000104155932 559158618 /nfs/dbraw/zinc/15/86/18/559158618.db2.gz LQOYKQHSYJNBKA-KIHHCIJBSA-N 0 0 419.650 6.410 40 30 HKEBRN CCCCCCCCCCCCCCCCOc1c(Cl)cc(Cl)cc1Cl ZINC000104156327 559158607 /nfs/dbraw/zinc/15/86/07/559158607.db2.gz JKCZIZUDOOVIBU-UHFFFAOYSA-N 0 0 421.880 9.507 40 30 HKEBRN CCCCCCCCCCCCCCCCCC(=O)N1C(=O)c2ccccc2C1=O ZINC000104157374 559158632 /nfs/dbraw/zinc/15/86/32/559158632.db2.gz HTUREOWOZKYCNE-UHFFFAOYSA-N 0 0 413.602 7.071 40 30 HKEBRN CCCCCCCCCCCCCCCCCCCC(=O)COS(C)(=O)=O ZINC000104157976 559158635 /nfs/dbraw/zinc/15/86/35/559158635.db2.gz KZYZITBQWLTSFM-UHFFFAOYSA-N 0 0 404.657 6.573 40 30 HKEBRN COc1ccc(/N=C\c2cc(Cl)cc(Cl)c2OC(=O)c2ccccc2)cc1 ZINC000104160223 559158604 /nfs/dbraw/zinc/15/86/04/559158604.db2.gz YVSSQMPXTGEUPV-CFRMEGHHSA-N 0 0 400.261 5.972 40 30 HKEBRN Cc1ccc(/N=C\c2cc(Cl)cc(Cl)c2OC(=O)c2ccccc2)cc1Cl ZINC000104160679 559158600 /nfs/dbraw/zinc/15/86/00/559158600.db2.gz JFMFYNBZOCFDMG-ROTLSHHCSA-N 0 0 418.707 6.925 40 30 HKEBRN O=C(Oc1c(Cl)cc(Cl)cc1/C=N\c1ccc(Cl)cc1)c1ccccc1 ZINC000104160964 559158595 /nfs/dbraw/zinc/15/85/95/559158595.db2.gz KOIURPNEHOAIAI-MSXFZWOLSA-N 0 0 404.680 6.617 40 30 HKEBRN CCCCCCCCCCCCCCCCCCNC(=S)SCCCC ZINC000104161642 559158624 /nfs/dbraw/zinc/15/86/24/559158624.db2.gz WYPDGUHQYFFJDN-UHFFFAOYSA-N 0 0 401.770 8.656 40 30 HKEBRN CCCCCCCCCCCCCCCCCCNC(=O)NCc1ccncc1 ZINC000104163519 559158694 /nfs/dbraw/zinc/15/86/94/559158694.db2.gz XJMUAKZYFDYXHR-UHFFFAOYSA-N 0 0 403.655 7.142 40 30 HKEBRN CCCCCCCCCCCC(=O)Nc1cc(C)ccc1/N=N\c1ccc(C)cc1 ZINC000104164460 559158688 /nfs/dbraw/zinc/15/86/88/559158688.db2.gz YINCINAEYIJYOE-ZIADKAODSA-N 0 0 407.602 8.578 40 30 HKEBRN CCCCCCCCCCCC(=O)Nc1cc(C)ccc1/N=N/c1ccc(C)cc1 ZINC000104164466 559158702 /nfs/dbraw/zinc/15/87/02/559158702.db2.gz YINCINAEYIJYOE-ZQHSETAFSA-N 0 0 407.602 8.578 40 30 HKEBRN C/C(=C/c1ccccc1)C(=O)[C@@H]1[C@H](c2ccccc2)CC(=O)[C@@H](C)[C@@H]1c1ccccc1 ZINC000104167460 559158684 /nfs/dbraw/zinc/15/86/84/559158684.db2.gz KTKAAPOLGAVYOZ-WUNVQGDBSA-N 0 0 408.541 6.452 40 30 HKEBRN CCCCCCCCCC(=O)NC(=S)Nc1ccc(C(=O)OCCCC)cc1 ZINC000104171844 559158682 /nfs/dbraw/zinc/15/86/82/559158682.db2.gz YRMWRMXFENKMNE-UHFFFAOYSA-N 0 0 406.592 5.597 40 30 HKEBRN CCCCCCCCCCCOC(=O)/C=C/C(=O)OCCCCCCCCCCC ZINC000104179227 560849136 /nfs/dbraw/zinc/84/91/36/560849136.db2.gz FBVIPHHSIBKNAH-QURGRASLSA-N 0 0 424.666 7.691 40 30 HKEBRN CCCCCCCCCCCCCCCCCCn1cnc2ncnc(Cl)c21 ZINC000104189485 519995966 /nfs/dbraw/zinc/99/59/66/519995966.db2.gz MITJTKJRJORVLX-UHFFFAOYSA-N 0 0 407.046 7.741 40 30 HKEBRN FC(F)(F)c1cccc(/N=C\c2ccc(/C=N\c3cccc(C(F)(F)F)c3)cc2)c1 ZINC000104192135 527685044 /nfs/dbraw/zinc/68/50/44/527685044.db2.gz GIJIOLGRUWWULN-VVAFTLCXSA-N 0 0 420.356 7.225 40 30 HKEBRN FC(F)(F)c1cccc(/N=C/c2ccc(/C=N\c3cccc(C(F)(F)F)c3)cc2)c1 ZINC000104192138 527684929 /nfs/dbraw/zinc/68/49/29/527684929.db2.gz GIJIOLGRUWWULN-PGQPTCQNSA-N 0 0 420.356 7.225 40 30 HKEBRN COc1c(Cl)cccc1/N=C\c1ccc(/C=N\c2cccc(Cl)c2OC)cc1 ZINC000104192144 518126729 /nfs/dbraw/zinc/12/67/29/518126729.db2.gz MCJVDSHAUWRUKO-WFBNZKAHSA-N 0 0 413.304 6.512 40 30 HKEBRN COc1c(Cl)cccc1/N=C/c1ccc(/C=N\c2cccc(Cl)c2OC)cc1 ZINC000104192148 559158922 /nfs/dbraw/zinc/15/89/22/559158922.db2.gz MCJVDSHAUWRUKO-KGRJIBJCSA-N 0 0 413.304 6.512 40 30 HKEBRN COc1ccc(/N=C\c2ccc(/C=N\c3ccc(OC)cc3OC)cc2)c(OC)c1 ZINC000104192155 523473599 /nfs/dbraw/zinc/47/35/99/523473599.db2.gz JWJYYPHJGMMNGX-YXHOTNNGSA-N 0 0 404.466 5.222 40 30 HKEBRN COc1ccc(/N=C/c2ccc(/C=N\c3ccc(OC)cc3OC)cc2)c(OC)c1 ZINC000104192158 559158906 /nfs/dbraw/zinc/15/89/06/559158906.db2.gz JWJYYPHJGMMNGX-WFOJNGAISA-N 0 0 404.466 5.222 40 30 HKEBRN COc1ccc(OC)c(/N=C\c2ccc(/C=N\c3cc(OC)ccc3OC)cc2)c1 ZINC000104192162 524802964 /nfs/dbraw/zinc/80/29/64/524802964.db2.gz UFWBWAPCZZHREP-YXHOTNNGSA-N 0 0 404.466 5.222 40 30 HKEBRN COc1ccc(OC)c(/N=C/c2ccc(/C=N/c3cc(OC)ccc3OC)cc2)c1 ZINC000104192168 559158886 /nfs/dbraw/zinc/15/88/86/559158886.db2.gz UFWBWAPCZZHREP-RYQLWAFASA-N 0 0 404.466 5.222 40 30 HKEBRN Clc1cnc(/N=C/c2ccc(/C=N\c3ncc(Cl)cc3Cl)cc2)c(Cl)c1 ZINC000104192246 559158899 /nfs/dbraw/zinc/15/88/99/559158899.db2.gz CWAYPYGFKGVCCB-GNIJEABVSA-N 0 0 424.118 6.591 40 30 HKEBRN C/C(=C/c1ccccc1)C(=O)[C@@H]1[C@H](c2ccccc2)[C@@H](C)[C@H](O)C[C@@H]1c1ccccc1 ZINC000104195341 559158915 /nfs/dbraw/zinc/15/89/15/559158915.db2.gz VFUSIMKKWNMEOO-JRKPZBFPSA-N 0 0 410.557 6.244 40 30 HKEBRN COc1ccc(/C=C\C2=CC(=O)C[C@H](/C=C\c3ccc(OC)c(OC)c3)C2)cc1OC ZINC000104195348 559158903 /nfs/dbraw/zinc/15/89/03/559158903.db2.gz XIRQHZXXHMDKQE-APYSYSHUSA-N 0 0 420.505 5.353 40 30 HKEBRN COc1ccc(/C=C/[C@H]2CC(=O)C=C(/C=C\c3ccc(OC)c(OC)c3)C2)cc1OC ZINC000104195355 559158905 /nfs/dbraw/zinc/15/89/05/559158905.db2.gz XIRQHZXXHMDKQE-BTKHCVNVSA-N 0 0 420.505 5.353 40 30 HKEBRN COc1ccc(/C=C/C2=CC(=O)C[C@H](/C=C\c3ccc(OC)c(OC)c3)C2)cc1OC ZINC000104195359 559158908 /nfs/dbraw/zinc/15/89/08/559158908.db2.gz XIRQHZXXHMDKQE-UIGRODIVSA-N 0 0 420.505 5.353 40 30 HKEBRN CCCCCCCCCCCCCCCCCCn1cnc2c1nc[nH]c2=S ZINC000104196738 519996684 /nfs/dbraw/zinc/99/66/84/519996684.db2.gz OCHJQYOULIKOHC-UHFFFAOYSA-N 0 0 404.668 7.377 40 30 HKEBRN CCCCCCCC[N+](C)([O-])CCCCCC[N+](C)([O-])CCCCCCCC ZINC000104199032 559158900 /nfs/dbraw/zinc/15/89/00/559158900.db2.gz WGGSUTVVRHSEGD-UHFFFAOYSA-N 0 0 400.692 7.157 40 30 HKEBRN CC1=Nc2cc3ccccc3cc2N(C)/C1=C\C1=C(Cl)C(=O)c2ccccc2C1=O ZINC000104200853 559158893 /nfs/dbraw/zinc/15/88/93/559158893.db2.gz LJVKRIPRGDEUOT-BKUYFWCQSA-N 0 0 412.876 5.838 40 30 HKEBRN CCCCCCCCCCCCOC(=O)c1ccc(I)cc1 ZINC000104206645 559159028 /nfs/dbraw/zinc/15/90/28/559159028.db2.gz VXVFYNRYYISCFJ-UHFFFAOYSA-N 0 0 416.343 6.369 40 30 HKEBRN C/C(=N\OC(=O)c1c(C)onc1-c1c(Cl)cccc1Cl)c1ccccc1O ZINC000104207213 559159013 /nfs/dbraw/zinc/15/90/13/559159013.db2.gz QRPSMPAGVRMXMT-LSHDLFTRSA-N 0 0 405.237 5.243 40 30 HKEBRN C/C(=N/OC(=O)c1c(C)onc1-c1c(Cl)cccc1Cl)c1ccccc1O ZINC000104207216 559159033 /nfs/dbraw/zinc/15/90/33/559159033.db2.gz QRPSMPAGVRMXMT-YVNNLAQVSA-N 0 0 405.237 5.243 40 30 HKEBRN C/C(=N\CC/N=C(/C)c1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000104207966 559159009 /nfs/dbraw/zinc/15/90/09/559159009.db2.gz FKIWUOQSVDWWAC-VOKWCDJLSA-N 0 0 422.164 5.530 40 30 HKEBRN C/C(=N/CC/N=C(/C)c1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000104207970 559159040 /nfs/dbraw/zinc/15/90/40/559159040.db2.gz FKIWUOQSVDWWAC-JZTLMNBPSA-N 0 0 422.164 5.530 40 30 HKEBRN CCCCCCCCCSc1nc2ccc(/N=C\c3ccccc3O)cc2s1 ZINC000104213487 559159136 /nfs/dbraw/zinc/15/91/36/559159136.db2.gz STSVSXDVCDJSTJ-ULJHMMPZSA-N 0 0 412.624 7.595 40 30 HKEBRN O=[N+]([O-])c1ccccc1/C=N\c1ccc2nc(SCc3ccccc3)sc2c1 ZINC000104213528 527397496 /nfs/dbraw/zinc/39/74/96/527397496.db2.gz GBJXCKYHVWRUGJ-XKZIYDEJSA-N 0 0 405.504 6.247 40 30 HKEBRN O=C1c2ccccc2CN(c2ccccc2)/C(=N/c2ccccc2)N1c1ccccc1 ZINC000104222877 527133013 /nfs/dbraw/zinc/13/30/13/527133013.db2.gz YJBLQNYRMUNLNT-DQSJHHFOSA-N 0 0 403.485 6.041 40 30 HKEBRN O=C1c2ccccc2C(=O)C1=C(Nc1ccccc1Br)c1ccccc1 ZINC000104223495 559159237 /nfs/dbraw/zinc/15/92/37/559159237.db2.gz AJRVZPMNWRJKBK-HIXSDJFHSA-N 0 0 404.263 5.265 40 30 HKEBRN O=C1c2ccccc2C(=O)C1=C(Nc1ccccc1Br)c1ccccc1 ZINC000104223500 559159186 /nfs/dbraw/zinc/15/91/86/559159186.db2.gz AJRVZPMNWRJKBK-GFMRDNFCSA-N 0 0 404.263 5.265 40 30 HKEBRN Cc1ccc(N=CC2=C(c3ccccc3)Oc3ccccc3[C@@H]2c2ccccc2)cc1 ZINC000104225208 559159228 /nfs/dbraw/zinc/15/92/28/559159228.db2.gz QOOPOBPUSJSGBW-ASYBXRLASA-N 0 0 401.509 7.333 40 30 HKEBRN Cc1ccc(N=CC2=C(c3ccccc3)Oc3ccccc3[C@H]2c2ccccc2)cc1 ZINC000104225214 559159214 /nfs/dbraw/zinc/15/92/14/559159214.db2.gz QOOPOBPUSJSGBW-WVGJAKOGSA-N 0 0 401.509 7.333 40 30 HKEBRN O=C1N(c2ccccc2)C(=N\c2ccccc2)/C(=N/c2ccccc2)N1c1ccccc1 ZINC000104234485 527039203 /nfs/dbraw/zinc/03/92/03/527039203.db2.gz ANNODTFQNIALEM-RZEXXKRKSA-N 0 0 416.484 6.594 40 30 HKEBRN CC(C)(C)[C@@H]1CCC(N=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H](Cc2ccccc2)C1 ZINC000104234892 518935454 /nfs/dbraw/zinc/93/54/54/518935454.db2.gz FCYJQKNNOIQDPN-QXFYDELESA-N 0 0 424.501 5.976 40 30 HKEBRN COc1ccc(/C=N\SC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1 ZINC000104244767 523462032 /nfs/dbraw/zinc/46/20/32/523462032.db2.gz NTUGGKIFPKVPKO-HFTWOUSFSA-N 0 0 409.554 6.754 40 30 HKEBRN CCCCCCCCCC(=O)c1cc(O)c(C(=O)CCCCCCCCC)cc1O ZINC000104246293 519980383 /nfs/dbraw/zinc/98/03/83/519980383.db2.gz NBVZGLPJYSGFAG-UHFFFAOYSA-N 0 0 418.618 7.745 40 30 HKEBRN CN(/C(=N/C(=S)NCc1ccccc1)SCc1ccccc1)c1ccccc1 ZINC000104246517 559159424 /nfs/dbraw/zinc/15/94/24/559159424.db2.gz HEXVXBIMCGORPH-BZZOAKBMSA-N 0 0 405.592 5.487 40 30 HKEBRN CCCCCCCCCCCCCCCCN1C(=O)c2ccccc2S1(=O)=O ZINC000104250556 559159498 /nfs/dbraw/zinc/15/94/98/559159498.db2.gz IVUHEOQWIKHGGV-UHFFFAOYSA-N 0 0 407.620 6.312 40 30 HKEBRN CCCCC1=C(C)CC(N=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H](C)[C@H]1CCCC ZINC000104253782 519917555 /nfs/dbraw/zinc/91/75/55/519917555.db2.gz WNRAOAAOTUQJHI-LXYRBDFESA-N 0 0 416.522 6.624 40 30 HKEBRN CCCCCCCCCCCC(=O)OC(COCCC(C)C)COCCC(C)C ZINC000104257692 559159471 /nfs/dbraw/zinc/15/94/71/559159471.db2.gz MVYFIVZIHAZWOW-UHFFFAOYSA-N 0 0 414.671 6.945 40 30 HKEBRN CCCCCCCCCCCCCCCN=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000104259357 559159487 /nfs/dbraw/zinc/15/94/87/559159487.db2.gz IKOKCNUVXOMYAS-XLNRJJMWSA-N 0 0 406.527 6.992 40 30 HKEBRN CCCCCCCCCCCCCCCN=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000104259362 519988701 /nfs/dbraw/zinc/98/87/01/519988701.db2.gz IKOKCNUVXOMYAS-OQKWZONESA-N 0 0 406.527 6.992 40 30 HKEBRN CCCCCCCCCCCCCCCCCC(=O)O[C@@H](C)CC[C@@H]1CCCO1 ZINC000104260100 559159465 /nfs/dbraw/zinc/15/94/65/559159465.db2.gz MQOCPPQDMPIRFU-DQEYMECFSA-N 0 0 410.683 8.139 40 30 HKEBRN CCCCCCCCCCCCCCCCCC(=O)O[C@H](C)CC[C@@H]1CCCO1 ZINC000104260105 559159480 /nfs/dbraw/zinc/15/94/80/559159480.db2.gz MQOCPPQDMPIRFU-RPBOFIJWSA-N 0 0 410.683 8.139 40 30 HKEBRN CCCCCCCCCCCCCCCCCC(=O)O[C@@H](C)CC[C@H]1CCCO1 ZINC000104260110 519992873 /nfs/dbraw/zinc/99/28/73/519992873.db2.gz MQOCPPQDMPIRFU-LOSJGSFVSA-N 0 0 410.683 8.139 40 30 HKEBRN CCCCCCCCCCCCCCCCCC(=O)O[C@H](C)CC[C@H]1CCCO1 ZINC000104260118 559159478 /nfs/dbraw/zinc/15/94/78/559159478.db2.gz MQOCPPQDMPIRFU-JWQCQUIFSA-N 0 0 410.683 8.139 40 30 HKEBRN CCCCOC(=O)CCCCCCC/C=C\[C@H]1C=C[C@H](CCCC)[C@@H](C#N)[C@H]1C#N ZINC000104261990 559159591 /nfs/dbraw/zinc/15/95/91/559159591.db2.gz OUCFEMDIOMPJEK-YUECZVSBSA-N 0 0 412.618 6.889 40 30 HKEBRN CCCCCCCCCCCCCCCCCCOC(=O)[C@H](N)Cc1ccccc1 ZINC000104268339 559159625 /nfs/dbraw/zinc/15/96/25/559159625.db2.gz WLKLVBQJQJTOHQ-AREMUKBSSA-N 0 0 417.678 7.361 40 30 HKEBRN CCCCCCCCCCCCCCCCCCOC(=O)[C@@H](N)Cc1ccccc1 ZINC000104268344 559159598 /nfs/dbraw/zinc/15/95/98/559159598.db2.gz WLKLVBQJQJTOHQ-SANMLTNESA-N 0 0 417.678 7.361 40 30 HKEBRN COC1=CC(=NNc2ccccc2)C=C(C=NNC(=S)Nc2ccccc2)C1=O ZINC000104276364 559159729 /nfs/dbraw/zinc/15/97/29/559159729.db2.gz JGTJKFGCJPSLTI-BTRCZGFISA-N 0 0 405.483 5.137 40 30 HKEBRN COC1=CC(=NNc2ccccc2)C=C(C=NNC(=S)Nc2ccccc2)C1=O ZINC000104276367 559159737 /nfs/dbraw/zinc/15/97/37/559159737.db2.gz JGTJKFGCJPSLTI-QMSJJHEMSA-N 0 0 405.483 5.137 40 30 HKEBRN COC1=CC(=NNc2ccccc2)C=C(C=NNC(=S)Nc2cccc(C)c2)C1=O ZINC000104276375 559159749 /nfs/dbraw/zinc/15/97/49/559159749.db2.gz KFENKUVOVKNVQH-MKRFAJQFSA-N 0 0 419.510 5.445 40 30 HKEBRN COC1=CC(=NNc2ccccc2)C=C(C=NNC(=S)Nc2cccc(C)c2)C1=O ZINC000104276380 522015194 /nfs/dbraw/zinc/01/51/94/522015194.db2.gz KFENKUVOVKNVQH-WRIATZMJSA-N 0 0 419.510 5.445 40 30 HKEBRN COC1=CC(=NNc2ccccc2)C=C(C=NNC(=S)Nc2ccc(C)cc2)C1=O ZINC000104276391 559159702 /nfs/dbraw/zinc/15/97/02/559159702.db2.gz XFQVVONBOACZMR-MKRFAJQFSA-N 0 0 419.510 5.445 40 30 HKEBRN COC1=CC(=NNc2ccccc2)C=C(C=NNC(=S)Nc2ccc(C)cc2)C1=O ZINC000104276396 522016862 /nfs/dbraw/zinc/01/68/62/522016862.db2.gz XFQVVONBOACZMR-WRIATZMJSA-N 0 0 419.510 5.445 40 30 HKEBRN COC1=CC(=NNc2ccccc2)C=C(C=NNC(=S)Nc2ccc(C)cc2)C1=O ZINC000104276401 522014891 /nfs/dbraw/zinc/01/48/91/522014891.db2.gz XFQVVONBOACZMR-HRRUJZEASA-N 0 0 419.510 5.445 40 30 HKEBRN Cc1ccc(/N=N\c2ccc(N(CCC#N)CCC#N)cc2C)c(Br)c1 ZINC000104283874 559159885 /nfs/dbraw/zinc/15/98/85/559159885.db2.gz KTQYMHQOZGQFBR-IZHYLOQSSA-N 0 0 410.319 6.115 40 30 HKEBRN O=C(/C=C\c1ccccc1)N1C/C(=C/c2ccccc2)C(=O)/C(=C\c2ccccc2)C1 ZINC000104289048 559159879 /nfs/dbraw/zinc/15/98/79/559159879.db2.gz VWRVRYWIRXZQDO-AYSPQFQNSA-N 0 0 405.497 5.278 40 30 HKEBRN Cc1cccc(/N=C\c2ccc(N(CCC#N)S(=O)(=O)c3ccccc3)cc2C)c1 ZINC000104290491 559159922 /nfs/dbraw/zinc/15/99/22/559159922.db2.gz XGMLUCBCMHSQQQ-ITYLOYPMSA-N 0 0 417.534 5.163 40 30 HKEBRN N#CCCN(c1ccc(/C=N\c2ccccc2Cl)cc1)S(=O)(=O)c1ccccc1 ZINC000104296756 559160082 /nfs/dbraw/zinc/16/00/82/559160082.db2.gz CAIIALRYULFLOG-UQQQWYQISA-N 0 0 423.925 5.200 40 30 HKEBRN CN(C)c1ccc(N2C(=S)SC(=N/c3ccccc3)/C2=N/c2ccccc2)cc1 ZINC000104311297 559160185 /nfs/dbraw/zinc/16/01/85/559160185.db2.gz DJWXJQJTFZVOEH-KJQPNGKASA-N 0 0 416.575 6.051 40 30 HKEBRN CN(C)c1ccc(N2C(=S)SC(=N\c3ccccc3)/C2=N\c2ccccc2)cc1 ZINC000104311308 559160173 /nfs/dbraw/zinc/16/01/73/559160173.db2.gz DJWXJQJTFZVOEH-ZINFLPCDSA-N 0 0 416.575 6.051 40 30 HKEBRN S=C1SC(=N/c2ccccc2)/C(=N/c2ccccc2)N1c1ccc2ccccc2c1 ZINC000104311321 559160190 /nfs/dbraw/zinc/16/01/90/559160190.db2.gz GWLUNVUGYRXBEC-AORWUECESA-N 0 0 423.566 7.138 40 30 HKEBRN S=C1SC(=N\c2ccccc2)/C(=N\c2ccccc2)N1c1ccc2ccccc2c1 ZINC000104311329 559160156 /nfs/dbraw/zinc/16/01/56/559160156.db2.gz GWLUNVUGYRXBEC-YZYVWJRPSA-N 0 0 423.566 7.138 40 30 HKEBRN COc1ccc(Br)c(/C=N/c2cccc3cc(OC)c(OC)cc32)c1 ZINC000104314855 569327478 /nfs/dbraw/zinc/32/74/78/569327478.db2.gz MKPKJMRTAOPOIE-WSDLNYQXSA-N 0 0 400.272 5.379 40 30 HKEBRN COc1ccc(/C=C2/CC[C@@H](C)/C(=C/c3ccc(OC)c(OC)c3)C2=O)cc1OC ZINC000104318034 559160336 /nfs/dbraw/zinc/16/03/36/559160336.db2.gz FNEHNMVDEJMKOR-ZBTUVSSZSA-N 0 0 408.494 5.187 40 30 HKEBRN CCCCCCCCCCCCCCCCCC(=O)c1ccc(OC)c(OC)c1 ZINC000104323247 559160404 /nfs/dbraw/zinc/16/04/04/559160404.db2.gz NNZOMVBERPKKQS-UHFFFAOYSA-N 0 0 404.635 8.148 40 30 HKEBRN CCCCCCCCCCCCCCCCCCOC(=N)c1ccc(O)c(OC)c1 ZINC000104324812 559160386 /nfs/dbraw/zinc/16/03/86/559160386.db2.gz FMYMVDOGOMAERA-UHFFFAOYSA-N 0 0 419.650 8.004 40 30 HKEBRN CCCCCCCCCCCCCCCCCC1=NC(C)(C)CN1c1ccccc1 ZINC000104326531 559160381 /nfs/dbraw/zinc/16/03/81/559160381.db2.gz UZBGGYVAISRTBD-UHFFFAOYSA-N 0 0 412.706 8.945 40 30 HKEBRN CCCCCCCC/C=C\CCCCCCCC1=NC(C)(C)CN1c1ccccc1 ZINC000104326541 559160396 /nfs/dbraw/zinc/16/03/96/559160396.db2.gz XVFOGNNDUHBDIT-QXMHVHEDSA-N 0 0 410.690 8.721 40 30 HKEBRN CCCCCCCC/C=C/CCCCCCCC1=NC(C)(C)CN1c1ccccc1 ZINC000104326547 559160388 /nfs/dbraw/zinc/16/03/88/559160388.db2.gz XVFOGNNDUHBDIT-VAWYXSNFSA-N 0 0 410.690 8.721 40 30 HKEBRN O=[N+]([O-])c1ccc2c(c1)/C(=N/c1ccc(Cl)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1-2 ZINC000104327326 559160392 /nfs/dbraw/zinc/16/03/92/559160392.db2.gz WDWOKLPKJKYMOH-VZCXRCSSSA-N 0 0 424.756 5.214 40 30 HKEBRN CCCCCCCCCCCCCCC(NC(C)=O)(C(=O)OCC)C(=O)OCC ZINC000104329518 559160384 /nfs/dbraw/zinc/16/03/84/559160384.db2.gz RMUFSIOWRKEIPW-UHFFFAOYSA-N 0 0 413.599 5.079 40 30 HKEBRN CCCCCCCCCCCCCCCCCCOC(=O)/C=C/C(=O)NC(N)=O ZINC000104335014 559160527 /nfs/dbraw/zinc/16/05/27/559160527.db2.gz AWUMPPHEZCYUHJ-VHEBQXMUSA-N 0 0 410.599 5.542 40 30 HKEBRN CN(C)c1ccc(/C=C2/c3ccccc3-c3ccc(/N=C\c4ccccc4)cc32)cc1 ZINC000104335086 559160468 /nfs/dbraw/zinc/16/04/68/559160468.db2.gz SDJXPKUQLHGMCD-IGRXPJQBSA-N 0 0 400.525 7.073 40 30 HKEBRN CN(C)c1ccc(/C=C2\c3ccccc3-c3ccc(/N=C\c4ccccc4)cc32)cc1 ZINC000104335090 559160510 /nfs/dbraw/zinc/16/05/10/559160510.db2.gz SDJXPKUQLHGMCD-APUYINBGSA-N 0 0 400.525 7.073 40 30 HKEBRN CC(C)c1cc(C(C)C)c(/N=C\c2ccccc2)c(C(C)C)c1/N=C\c1ccccc1 ZINC000104340938 559160506 /nfs/dbraw/zinc/16/05/06/559160506.db2.gz GDEHVUVSJMBQMX-RLVGRCEOSA-N 0 0 410.605 8.558 40 30 HKEBRN CC(C)c1cc(C(C)C)c(/N=C/c2ccccc2)c(C(C)C)c1/N=C/c1ccccc1 ZINC000104340944 559160494 /nfs/dbraw/zinc/16/04/94/559160494.db2.gz GDEHVUVSJMBQMX-GFTXTJKWSA-N 0 0 410.605 8.558 40 30 HKEBRN CCCCCCCCCCCCOC(=O)NC1c2ccccc2Oc2ccccc21 ZINC000104344236 559160541 /nfs/dbraw/zinc/16/05/41/559160541.db2.gz UVMHWLGGWIUKAI-UHFFFAOYSA-N 0 0 409.570 7.529 40 30 HKEBRN CCCCCCCCCCCCCCCCNC(=S)N/N=C\c1ccccc1O ZINC000104350069 559160500 /nfs/dbraw/zinc/16/05/00/559160500.db2.gz UQOUMLSYUBEUEW-QLYXXIJNSA-N 0 0 419.679 6.672 40 30 HKEBRN CCCCCCCCCCCCCCCCNC(=S)N/N=C/c1ccccc1O ZINC000104350074 559160472 /nfs/dbraw/zinc/16/04/72/559160472.db2.gz UQOUMLSYUBEUEW-YYADALCUSA-N 0 0 419.679 6.672 40 30 HKEBRN CCCCCCCCCCCCCCCCCCNc1nc2ccccc2s1 ZINC000104351231 559160545 /nfs/dbraw/zinc/16/05/45/559160545.db2.gz CSNZIPQIERMZTK-UHFFFAOYSA-N 0 0 402.692 8.970 40 30 HKEBRN CCCCCCCCCCCCCCCCNC(=O)Nc1cccc2ccccc21 ZINC000104359217 559160622 /nfs/dbraw/zinc/16/06/22/559160622.db2.gz OJCQPYVASOUYJE-UHFFFAOYSA-N 0 0 410.646 8.443 40 30 HKEBRN O=C(C=C(Nc1ccc(-c2ccccc2)cc1)C(=O)c1ccccc1)c1ccccc1 ZINC000104359308 559160612 /nfs/dbraw/zinc/16/06/12/559160612.db2.gz FCRUHIZHWVXVGL-QOMWVZHYSA-N 0 0 403.481 6.415 40 30 HKEBRN CCCCCCCCCCCCCCCCNC(=O)Nc1ccc2ccccc2c1 ZINC000104359385 559160623 /nfs/dbraw/zinc/16/06/23/559160623.db2.gz BVAVIVVNKVLQBB-UHFFFAOYSA-N 0 0 410.646 8.443 40 30 HKEBRN CCCCCCCCCCCCCCCCNC(=S)N/N=C\c1ccc(O)cc1 ZINC000104360296 559160614 /nfs/dbraw/zinc/16/06/14/559160614.db2.gz GCBONNQPBAPEFU-QLYXXIJNSA-N 0 0 419.679 6.672 40 30 HKEBRN CCCCCCCCCCCCCCCCNC(=S)N/N=C/c1ccc(O)cc1 ZINC000104360301 560850765 /nfs/dbraw/zinc/85/07/65/560850765.db2.gz GCBONNQPBAPEFU-YYADALCUSA-N 0 0 419.679 6.672 40 30 HKEBRN O=C1c2ccccc2-c2cc(Br)c(/N=C\c3c[nH]c4ccccc34)cc21 ZINC000104368730 559160603 /nfs/dbraw/zinc/16/06/03/559160603.db2.gz NYSIUERGBXTIEI-ROTLSHHCSA-N 0 0 401.263 5.892 40 30 HKEBRN O=C1c2ccccc2-c2cc(Br)c(/N=C/c3c[nH]c4ccccc34)cc21 ZINC000104368733 559160627 /nfs/dbraw/zinc/16/06/27/559160627.db2.gz NYSIUERGBXTIEI-BRJLIKDPSA-N 0 0 401.263 5.892 40 30 HKEBRN CCCCCCCCCCCCNC(=S)N/N=C\c1ccc(O)c(OCC)c1 ZINC000104373372 559160604 /nfs/dbraw/zinc/16/06/04/559160604.db2.gz BKYGYHRCWWFYJD-MOHJPFBDSA-N 0 0 407.624 5.510 40 30 HKEBRN Cn1cc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)c2ccccc21 ZINC000104374502 569362713 /nfs/dbraw/zinc/36/27/13/569362713.db2.gz NLTACGOMLIOMMY-MHZLTWQESA-N 0 0 406.529 6.641 40 30 HKEBRN Cn1cc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)c2ccccc21 ZINC000104374505 569362693 /nfs/dbraw/zinc/36/26/93/569362693.db2.gz NLTACGOMLIOMMY-HHHXNRCGSA-N 0 0 406.529 6.641 40 30 HKEBRN CCCCCCCCCCCCNC(=S)N/N=C\c1ccc(Cl)c(Cl)c1 ZINC000104380300 559160864 /nfs/dbraw/zinc/16/08/64/559160864.db2.gz NZTNZYRDWDOHIZ-JLPGSUDCSA-N 0 0 416.462 6.712 40 30 HKEBRN CCCCCCCCCCCCNC(=S)N/N=C/c1ccc(Cl)c(Cl)c1 ZINC000104380304 559160854 /nfs/dbraw/zinc/16/08/54/559160854.db2.gz NZTNZYRDWDOHIZ-LFVJCYFKSA-N 0 0 416.462 6.712 40 30 HKEBRN CCCCCCCCCCCCNC(=S)N/N=C\c1cccc(OC)c1OC ZINC000104380362 559160863 /nfs/dbraw/zinc/16/08/63/559160863.db2.gz VPGOFBXKYLEISN-MOHJPFBDSA-N 0 0 407.624 5.423 40 30 HKEBRN CCCCCCCCCCCCNC(=S)N/N=C/c1cccc(OC)c1OC ZINC000104380368 559160849 /nfs/dbraw/zinc/16/08/49/559160849.db2.gz VPGOFBXKYLEISN-HKOYGPOVSA-N 0 0 407.624 5.423 40 30 HKEBRN CCCCCCCCCCCCCC(=O)OCC(=O)c1ccc(-c2ccccc2)cc1 ZINC000104380439 559160866 /nfs/dbraw/zinc/16/08/66/559160866.db2.gz RQVDFJIBIZXPRN-UHFFFAOYSA-N 0 0 422.609 7.781 40 30 HKEBRN CCCCCCCCCCCCCCCCCCN1CN(CO)C(=O)N(CO)C1 ZINC000104380784 559160853 /nfs/dbraw/zinc/16/08/53/559160853.db2.gz GILFPVDYUDEGQI-UHFFFAOYSA-N 0 0 413.647 5.102 40 30 HKEBRN C=CCN(CC=C)C(=O)Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1 ZINC000104395419 569352645 /nfs/dbraw/zinc/35/26/45/569352645.db2.gz NAKOVCISOQRBEB-UHFFFAOYSA-N 0 0 420.476 5.085 40 30 HKEBRN CCCCCCCCCCCCCCc1ccc2[nH]c3c(c2c1)CCc1ccccc1-3 ZINC000104587201 569014307 /nfs/dbraw/zinc/01/43/07/569014307.db2.gz PIIRCFOXEYKQSH-UHFFFAOYSA-N 0 0 415.665 9.177 40 30 HKEBRN CCc1ccc(/C=C2\S/C(=N/c3ccc(Cl)cc3)N(CC(C)C)C2=O)s1 ZINC000104612392 560736494 /nfs/dbraw/zinc/73/64/94/560736494.db2.gz YKVUZJKYQRGUDQ-OADBCFLWSA-N 0 0 404.988 6.224 40 30 HKEBRN C=CCN(C(=S)Oc1ccc2nc3[nH]c4ccccc4c3nc2c1)c1ccccc1 ZINC000104768532 569352605 /nfs/dbraw/zinc/35/26/05/569352605.db2.gz HCNPTDFZPRJMBS-UHFFFAOYSA-N 0 0 410.502 5.621 40 30 HKEBRN O=[N+]([O-])c1cc(/C=C/C=N/c2ccc(Nc3ccccc3)cc2)ccc1Br ZINC000104820406 559161654 /nfs/dbraw/zinc/16/16/54/559161654.db2.gz SHNKDHXIGPBQOT-XJLXESQPSA-N 0 0 422.282 6.517 40 30 HKEBRN C=C1/C(=C/C=C2\CCC[C@]3(C)[C@@H]2CC[C@H]3[C@@H](C)CCCC(C)(C)O)C[C@H](O)C[C@H]1O ZINC000104885283 571314305 /nfs/dbraw/zinc/31/43/05/571314305.db2.gz GMRQFYUYWCNGIN-FVJPYTEKSA-N 0 0 416.646 5.705 40 30 HKEBRN CCCCCCCCCCCCCCCCCCCOc1ccc(N)cc1Cl ZINC000104891595 559161899 /nfs/dbraw/zinc/16/18/99/559161899.db2.gz RMEKNOREIKZTQA-UHFFFAOYSA-N 0 0 410.086 8.953 40 30 HKEBRN CCCCCCCCCOc1ccc(C=CC(=O)Oc2ccc(C(C)=O)cc2)cc1 ZINC000104891599 559161900 /nfs/dbraw/zinc/16/19/00/559161900.db2.gz UGTZZMRMFMSQKK-XDHOZWIPSA-N 0 0 408.538 6.637 40 30 HKEBRN CC(C)[C@@H](C)CC[C@@H](C)[C@@H]1CC[C@H]2c3ccc4c(c3CC[C@@]21C)CCC(O)=C4C=O ZINC000105004729 560737566 /nfs/dbraw/zinc/73/75/66/560737566.db2.gz WSXDVDYWXDOPKG-BXHITRTKSA-N 0 0 408.626 7.255 40 30 HKEBRN CC(C)[C@@H](C)CC[C@@H](C)[C@H]1CC[C@@H]2c3ccc4c(c3CC[C@]12C)CCC(O)=C4C=O ZINC000105004733 560737557 /nfs/dbraw/zinc/73/75/57/560737557.db2.gz WSXDVDYWXDOPKG-CLNZBEEFSA-N 0 0 408.626 7.255 40 30 HKEBRN CCCCCCCCCCCCCC[C@@H](C(=O)OCC)P(=O)(OCC)OCC ZINC000105019915 559161983 /nfs/dbraw/zinc/16/19/83/559161983.db2.gz TYSCYTJCTWMRHZ-NRFANRHFSA-N 0 0 420.571 7.275 40 30 HKEBRN CCCCCCCCCCCCCC[C@H](C(=O)OCC)P(=O)(OCC)OCC ZINC000105019917 559162027 /nfs/dbraw/zinc/16/20/27/559162027.db2.gz TYSCYTJCTWMRHZ-OAQYLSRUSA-N 0 0 420.571 7.275 40 30 HKEBRN CCCCCCCOc1ccccc1CN=Nc1nc(-c2ccccc2)c(C)s1 ZINC000105042273 560737560 /nfs/dbraw/zinc/73/75/60/560737560.db2.gz HRDFDDRJUCERSE-XIEYBQDHSA-N 0 0 407.583 6.914 40 30 HKEBRN CCCCCCCCC(=O)N1c2ccccc2[C@H](N(C(C)=O)c2ccccc2)C[C@@H]1C ZINC000105294294 560737555 /nfs/dbraw/zinc/73/75/55/560737555.db2.gz KLJNWYXHCKEMHP-HFZDXXHNSA-N 0 0 420.597 6.657 40 30 HKEBRN CCCCCCCCC(=O)N1c2ccccc2[C@@H](N(C(C)=O)c2ccccc2)C[C@@H]1C ZINC000105294297 560737540 /nfs/dbraw/zinc/73/75/40/560737540.db2.gz KLJNWYXHCKEMHP-LVXARBLLSA-N 0 0 420.597 6.657 40 30 HKEBRN CCCCCCCCC(=O)N1c2ccccc2[C@H](N(C(C)=O)c2ccccc2)C[C@H]1C ZINC000105294300 560737542 /nfs/dbraw/zinc/73/75/42/560737542.db2.gz KLJNWYXHCKEMHP-QFQXNSOFSA-N 0 0 420.597 6.657 40 30 HKEBRN CCCCCCCCC(=O)N1c2ccccc2[C@@H](N(C(C)=O)c2ccccc2)C[C@H]1C ZINC000105294302 560737529 /nfs/dbraw/zinc/73/75/29/560737529.db2.gz KLJNWYXHCKEMHP-RLWLMLJZSA-N 0 0 420.597 6.657 40 30 HKEBRN CN1c2ccccc2C(C)(C)/C1=C\C=N\c1cc(C(F)(F)F)ccc1C(F)(F)F ZINC000105401799 569053823 /nfs/dbraw/zinc/05/38/23/569053823.db2.gz JVCYDYDCANOLHG-LGZQUSSVSA-N 0 0 412.377 6.738 40 30 HKEBRN CCCCCCCCCCCCOCCCCC(=O)Nc1cccc2ccccc21 ZINC000105406152 559162735 /nfs/dbraw/zinc/16/27/35/559162735.db2.gz JYFFXQIQGUIGPC-UHFFFAOYSA-N 0 0 411.630 7.886 40 30 HKEBRN CCCCCCCCCCCCNC(=O)C(=O)Nc1ccc(OCCCCC)cc1 ZINC000105442613 560738552 /nfs/dbraw/zinc/73/85/52/560738552.db2.gz FYPWCNCDAOYRLU-UHFFFAOYSA-N 0 0 418.622 6.231 40 30 HKEBRN Cc1cc(/C=N\c2cccc(C)c2)c(C)n1-c1ccc(I)cc1 ZINC000105442754 569362696 /nfs/dbraw/zinc/36/26/96/569362696.db2.gz RGWFWGONKQGGPU-XKZIYDEJSA-N 0 0 414.290 5.758 40 30 HKEBRN CCCCCCCOc1ccccc1CN=Nc1nc(-c2ccc(C)cc2)cs1 ZINC000105450206 560738541 /nfs/dbraw/zinc/73/85/41/560738541.db2.gz SQEORGRELPWWHT-KOEQRZSOSA-N 0 0 407.583 6.914 40 30 HKEBRN CCCCCCCCOc1ccc(/C=C2/C=C(c3ccc(OC)cc3)OC2=O)cc1 ZINC000105508784 560738484 /nfs/dbraw/zinc/73/84/84/560738484.db2.gz PSKSMIVTVLBWAX-PYCFMQQDSA-N 0 0 406.522 6.416 40 30 HKEBRN CCCCCCCCOc1ccc(/C=C2/C=C(c3ccc(C)cc3C)OC2=O)cc1 ZINC000105508793 560738435 /nfs/dbraw/zinc/73/84/35/560738435.db2.gz XNLIUEQPMJWUGW-NKFKGCMQSA-N 0 0 404.550 7.024 40 30 HKEBRN CCCCCCCCOc1ccc(/C=C2/C=C(c3ccc(CC)cc3)OC2=O)cc1 ZINC000105508796 560738425 /nfs/dbraw/zinc/73/84/25/560738425.db2.gz ABNOXSHFBYSUSA-CLCOLTQESA-N 0 0 404.550 6.970 40 30 HKEBRN CCCCCCCCOc1c(Cl)cc(C=C2SC(=S)NC2=O)cc1Cl ZINC000105525974 568489789 /nfs/dbraw/zinc/48/97/89/568489789.db2.gz WOEAJFKYRBJPCN-RVDMUPIBSA-N 0 0 418.411 6.222 40 30 HKEBRN CCCCCCCOc1ccc(/C=C2\N=C(c3ccc(C(C)(C)C)cc3)OC2=O)cc1 ZINC000105649296 560738730 /nfs/dbraw/zinc/73/87/30/560738730.db2.gz YHWVKCHCTRIKNZ-CLCOLTQESA-N 0 0 419.565 6.678 40 30 HKEBRN C=CCn1c(-c2ccc(Br)cc2)cs/c1=N/c1ccc(OCC)cc1 ZINC000105756840 569050587 /nfs/dbraw/zinc/05/05/87/569050587.db2.gz XJPJDVYJOHPBKU-LSDHQDQOSA-N 0 0 415.356 5.796 40 30 HKEBRN Cc1ccccc1/N=C1\S/C(=C/c2cccc(F)c2)C(=O)N1Cc1cccs1 ZINC000105789382 569369955 /nfs/dbraw/zinc/36/99/55/569369955.db2.gz LYPHRBBEEWGZIJ-POHNCSCLSA-N 0 0 408.523 6.000 40 30 HKEBRN Cc1cc(N2CCCC2)c(F)cc1/C=N\c1ccccc1I ZINC000106439696 569362694 /nfs/dbraw/zinc/36/26/94/569362694.db2.gz BZEVBRZFSHUAKT-MTJSOVHGSA-N 0 0 408.258 5.090 40 30 HKEBRN CCc1ccc(C(=O)C=CNc2cc(C(F)(F)F)cc(C(F)(F)CF)c2)cc1 ZINC000106565927 569362714 /nfs/dbraw/zinc/36/27/14/569362714.db2.gz KLQRDMNQSOCQCR-BQYQJAHWSA-N 0 0 401.350 6.138 40 30 HKEBRN C=CCc1cc(/C=C2\SC(=O)N(Cc3ccccc3Cl)C2=O)cc(OC)c1O ZINC000106681452 560745166 /nfs/dbraw/zinc/74/51/66/560745166.db2.gz CPIWYXSZSAMJNP-WQRHYEAKSA-N 0 0 415.898 5.019 40 30 HKEBRN O=C(COc1c(Cl)cc(/C=N\O)cc1Cl)Nc1ccc(Cl)c(Cl)c1 ZINC000106682482 569362731 /nfs/dbraw/zinc/36/27/31/569362731.db2.gz WSRCCHCKFOAVBX-IOXNKQMXSA-N 0 0 408.068 5.126 40 30 HKEBRN C=CCc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc(OC)c1O ZINC000106688495 560745386 /nfs/dbraw/zinc/74/53/86/560745386.db2.gz LONGATMRJDSCCH-WQRHYEAKSA-N 0 0 415.898 5.019 40 30 HKEBRN C=CCOc1ccc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1OC ZINC000106688515 560745407 /nfs/dbraw/zinc/74/54/07/560745407.db2.gz JKOHGIUMJAOLNK-UNOMPAQXSA-N 0 0 415.898 5.150 40 30 HKEBRN N#CCOc1ccc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000106700923 560744856 /nfs/dbraw/zinc/74/48/56/560744856.db2.gz KMPSHXSCDPFOFZ-MFOYZWKCSA-N 0 0 419.289 5.132 40 30 HKEBRN C=CCOc1ccc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)cc1OCC ZINC000106702568 560745468 /nfs/dbraw/zinc/74/54/68/560745468.db2.gz FTWBESJULAAGKF-STZFKDTASA-N 0 0 409.507 5.195 40 30 HKEBRN N#CCOc1ccc(/C=C2\SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)cc1 ZINC000106716341 560745648 /nfs/dbraw/zinc/74/56/48/560745648.db2.gz OLYLDHAFXJKKEO-YVLHZVERSA-N 0 0 419.289 5.132 40 30 HKEBRN N#CCOc1ccc(/C=C2\SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000106721484 560745770 /nfs/dbraw/zinc/74/57/70/560745770.db2.gz OASHFZPDYIZFEY-YVLHZVERSA-N 0 0 419.289 5.132 40 30 HKEBRN CCOc1cc(/C=N\c2sc3c(c2C(=O)NCc2ccco2)CCCC3)ccc1O ZINC000106838961 569362711 /nfs/dbraw/zinc/36/27/11/569362711.db2.gz JHNQCHWDSOOPNR-MXAYSNPKSA-N 0 0 424.522 5.005 40 30 HKEBRN Cc1ccc(C(=N\Cc2ccc([N+](=O)[O-])cc2)/N=c2/sc3ccccc3n2C)cc1 ZINC000107143655 560895430 /nfs/dbraw/zinc/89/54/30/560895430.db2.gz XXXLUXCFLWWMPX-BQASJOSNSA-N 0 0 416.506 5.004 40 30 HKEBRN CCOc1cc(/C=N/O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000107584062 569362706 /nfs/dbraw/zinc/36/27/06/569362706.db2.gz QAZXKCYURVIQCB-DNTJNYDQSA-N 0 0 419.102 5.542 40 30 HKEBRN O=C(CO/N=C\c1ccc(OCc2cccc3ccccc32)cc1)Nc1ccccc1 ZINC000107619729 569362813 /nfs/dbraw/zinc/36/28/13/569362813.db2.gz RNLJSGLDEPJJCP-PKAZHMFMSA-N 0 0 410.473 5.408 40 30 HKEBRN COc1cccc(Oc2ccc(/N=C/c3cc(F)c(N4CCCC4)cc3C)cc2)c1 ZINC000107662283 569362819 /nfs/dbraw/zinc/36/28/19/569362819.db2.gz SEALIGSHZBAKMI-WPWMEQJKSA-N 0 0 404.485 6.286 40 30 HKEBRN C=CCn1c(COc2cc(C)ccc2C(C)C)nnc1SCC(=O)c1ccccc1 ZINC000107673275 569352828 /nfs/dbraw/zinc/35/28/28/569352828.db2.gz UJJUNCHQUGWZJT-UHFFFAOYSA-N 0 0 421.566 5.450 40 30 HKEBRN Cc1cc(N2CCCC2)c(F)cc1/C=C1\S/C(=N/c2ccc(Cl)cc2)NC1=O ZINC000107674873 569362832 /nfs/dbraw/zinc/36/28/32/569362832.db2.gz IGMXSAJRDPKTCI-UNOMPAQXSA-N 0 0 415.921 5.279 40 30 HKEBRN Cc1ccc(/N=C2/NC(=O)/C(=C/c3cc(F)c(N4CCCC4)cc3C)S2)c(C)c1 ZINC000107701893 569362828 /nfs/dbraw/zinc/36/28/28/569362828.db2.gz WNVQDSKSKWHVFP-BKUYFWCQSA-N 0 0 409.530 5.243 40 30 HKEBRN C=CCn1c(COc2ccc3ccccc3c2C)nnc1SCc1ccc(C)cc1 ZINC000107717112 569352876 /nfs/dbraw/zinc/35/28/76/569352876.db2.gz QTTWXMYOWRTHDA-UHFFFAOYSA-N 0 0 415.562 6.105 40 30 HKEBRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N=NCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000107717139 560751372 /nfs/dbraw/zinc/75/13/72/560751372.db2.gz KJOWUJKRLPULMZ-AUEPDCJTSA-N 0 0 409.751 5.973 40 30 HKEBRN COc1cccc(C(=O)C=C(C)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 ZINC000107736840 569362817 /nfs/dbraw/zinc/36/28/17/569362817.db2.gz MBWPUEGMRATOEL-IZZDOVSWSA-N 0 0 403.322 5.931 40 30 HKEBRN Cc1cc(/C=N\c2ccccc2C)c(C)n1-c1ccc(I)cc1 ZINC000107750998 560751364 /nfs/dbraw/zinc/75/13/64/560751364.db2.gz YFLWRQAYGPEVOD-XKZIYDEJSA-N 0 0 414.290 5.758 40 30 HKEBRN N#Cc1c(NC(=O)Cn2ccc3ccccc32)oc(-c2ccccc2)c1-c1ccccc1 ZINC000107762570 569352948 /nfs/dbraw/zinc/35/29/48/569352948.db2.gz GIGFDNNQPQYVBH-UHFFFAOYSA-N 0 0 417.468 6.079 40 30 HKEBRN CCCCOc1ccc(C2C3=C(CCCC3=O)N(CC)C3=C2C(=O)CCC3)cc1OC ZINC000107780561 569362804 /nfs/dbraw/zinc/36/28/04/569362804.db2.gz HWSFKRVZKSVTHC-UHFFFAOYSA-N 0 0 423.553 5.307 40 30 HKEBRN N#Cc1ccccc1NC(=S)NC(=O)c1sc2cc(Cl)ccc2c1Cl ZINC000107784425 569352897 /nfs/dbraw/zinc/35/28/97/569352897.db2.gz ZHTHJLCURYYMAC-UHFFFAOYSA-N 0 0 406.319 5.207 40 30 HKEBRN Cc1cc(N2CCCC2)c(F)cc1/C=N/c1ccc(Oc2cccc(Cl)c2)cc1 ZINC000107803308 569362802 /nfs/dbraw/zinc/36/28/02/569362802.db2.gz KRIIAGRILLJSTA-JVWAILMASA-N 0 0 408.904 6.931 40 30 HKEBRN O=C(CO/N=C\c1ccccc1OCc1cccc(F)c1)Nc1ccc(Cl)cc1 ZINC000107824813 569362849 /nfs/dbraw/zinc/36/28/49/569362849.db2.gz RPKXAILXCPNQIA-MXAYSNPKSA-N 0 0 412.848 5.047 40 30 HKEBRN CCOc1cc(/C=N\O)ccc1OCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000107849376 569362792 /nfs/dbraw/zinc/36/27/92/569362792.db2.gz YOZSOAKUXAHWLX-MYYYXRDXSA-N 0 0 407.466 5.060 40 30 HKEBRN C=CCOc1ccc(/C=C2\S/C(=N\c3ccc(C)c(Cl)c3)NC2=O)cc1OC ZINC000107865366 569362820 /nfs/dbraw/zinc/36/28/20/569362820.db2.gz VIGZCPDTQGYIQV-ODLFYWEKSA-N 0 0 414.914 5.113 40 30 HKEBRN C=CCn1c(COc2ccc(C(C)C)cc2)nnc1SCc1ccc([N+](=O)[O-])cc1 ZINC000107908952 569353140 /nfs/dbraw/zinc/35/31/40/569353140.db2.gz VRALUPCRTOYPKY-UHFFFAOYSA-N 0 0 424.526 5.367 40 30 HKEBRN CCOC(=O)c1sc(NC(=O)c2ccc(-c3ccc(C)c(C)c3)o2)c(C#N)c1C ZINC000107922390 569353157 /nfs/dbraw/zinc/35/31/57/569353157.db2.gz QIQKNPSCDRZDCY-UHFFFAOYSA-N 0 0 408.479 5.234 40 30 HKEBRN C=CCn1c(COc2cccc(C)c2)nnc1SCc1ccc(Cl)cc1Cl ZINC000107936013 569353191 /nfs/dbraw/zinc/35/31/91/569353191.db2.gz MBUFPXSJRXSFJD-UHFFFAOYSA-N 0 0 420.365 5.951 40 30 HKEBRN Cc1ccc(COc2ccc(/C=N\OCC(=O)Nc3ccc(Cl)cc3)cc2)cc1 ZINC000108076877 569362811 /nfs/dbraw/zinc/36/28/11/569362811.db2.gz GNYSWTWWIBIKDB-QFEZKATASA-N 0 0 408.885 5.217 40 30 HKEBRN O=C(CO/N=C\c1c(OCc2ccccc2)ccc2ccccc21)Nc1ccccc1 ZINC000108148257 569362856 /nfs/dbraw/zinc/36/28/56/569362856.db2.gz ALEZUPDXUMXKSV-PKAZHMFMSA-N 0 0 410.473 5.408 40 30 HKEBRN CCNC(=S)N/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1 ZINC000108288488 569362959 /nfs/dbraw/zinc/36/29/59/569362959.db2.gz YZTSFFKEOIEJRI-LSFURLLWSA-N 0 0 416.761 5.044 40 30 HKEBRN C=CCn1c(S[C@@H](C)C(=O)N2[C@@H](C)CCC[C@@H]2C)nnc1-c1ccc(Cl)cc1 ZINC000108871311 568998012 /nfs/dbraw/zinc/99/80/12/568998012.db2.gz PXYDBIAHSCTWFF-JYJNAYRXSA-N 0 0 418.994 5.055 40 30 HKEBRN Cc1cc(N2CCCC2)c(F)cc1/C=N\c1cccc(I)c1 ZINC000108896562 569362927 /nfs/dbraw/zinc/36/29/27/569362927.db2.gz FCIGQLKWYFIHJA-MTJSOVHGSA-N 0 0 408.258 5.090 40 30 HKEBRN Cc1cc(C=C2SC(=N)C(c3nccs3)=C2O)c(C)n1-c1c(C)cccc1C ZINC000108974942 569362982 /nfs/dbraw/zinc/36/29/82/569362982.db2.gz QSJPNKFTBWQZKS-UPKWEHEMSA-N 0 0 407.564 5.585 40 30 HKEBRN CCCCCCCCOc1ccc(Cl)cc1/C=C1\C(=O)N(c2ccccc2)N=C1C ZINC000109018759 569362921 /nfs/dbraw/zinc/36/29/21/569362921.db2.gz NZTWZBLZYBBLFG-NKFKGCMQSA-N 0 0 424.972 6.885 40 30 HKEBRN O=C(CO/N=C\c1ccccc1OCc1ccccc1F)Nc1ccc(Cl)cc1 ZINC000109029941 569362925 /nfs/dbraw/zinc/36/29/25/569362925.db2.gz DYUFKSAUPWUSES-MXAYSNPKSA-N 0 0 412.848 5.047 40 30 HKEBRN CCOc1c(Br)cc(Br)cc1/C=N/c1ccc(OC)cc1 ZINC000109116631 560755260 /nfs/dbraw/zinc/75/52/60/560755260.db2.gz SAHAFMLNIMLRTA-VXLYETTFSA-N 0 0 413.109 5.370 40 30 HKEBRN C/C(=N\c1ccc(N(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1)C(C)(C)C ZINC000109354571 569362916 /nfs/dbraw/zinc/36/29/16/569362916.db2.gz HKFBOLNUCLKASM-LHLOQNFPSA-N 0 0 420.578 6.221 40 30 HKEBRN Cc1cc(N2CCCC2)c(F)cc1/C=N\c1ccc(I)cc1 ZINC000109378501 569362944 /nfs/dbraw/zinc/36/29/44/569362944.db2.gz QECFWLLBGJUHHP-MTJSOVHGSA-N 0 0 408.258 5.090 40 30 HKEBRN CCCCCCCCOc1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc1OC ZINC000109450348 569362988 /nfs/dbraw/zinc/36/29/88/569362988.db2.gz KTLHSBGWPPYBFL-NKFKGCMQSA-N 0 0 420.553 6.241 40 30 HKEBRN CCCCCCCCOc1ccc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc1 ZINC000109716349 569362977 /nfs/dbraw/zinc/36/29/77/569362977.db2.gz DFYZWHJSKRTMCX-UHFFFAOYSA-N 0 0 422.565 6.554 40 30 HKEBRN O=c1[nH]c2ccc(/N=C\c3cc(Cl)cc(Cl)c3OCc3ccccc3)cc2[nH]1 ZINC000109735410 569362970 /nfs/dbraw/zinc/36/29/70/569362970.db2.gz YMONKRMDTSSKJB-MYKKPKGFSA-N 0 0 412.276 5.493 40 30 HKEBRN O=[N+]([O-])c1cccc(-c2ccc(CN=Nc3ccc(C(F)(F)F)cc3[N+](=O)[O-])o2)c1 ZINC000110451150 568417735 /nfs/dbraw/zinc/41/77/35/568417735.db2.gz RBXSOFPNKKGBLF-LSHDLFTRSA-N 0 0 420.303 5.228 40 30 HKEBRN COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=Cc2ccc(Cl)c(Cl)c2)C1=O ZINC000110451194 569362980 /nfs/dbraw/zinc/36/29/80/569362980.db2.gz ZFTRMUJBIUSSJI-YBFXNURJSA-N 0 0 416.304 5.487 40 30 HKEBRN Cc1cc(/N=C\c2cc(F)c(N3CCCC3)cc2C)ccc1I ZINC000110506498 568491332 /nfs/dbraw/zinc/49/13/32/568491332.db2.gz GURVCGJOQPQBEF-UUYOSTAYSA-N 0 0 422.285 5.398 40 30 HKEBRN C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@H]1CC/C2=N\N=C\c1ccc([N+](=O)[O-])cc1 ZINC000111087698 569362926 /nfs/dbraw/zinc/36/29/26/569362926.db2.gz NKPCGAOAWVPOES-QKKPJAJESA-N 0 0 417.509 5.632 40 30 HKEBRN C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@H]1CC/C2=N\N=C\c1ccc([N+](=O)[O-])cc1 ZINC000111087701 569363008 /nfs/dbraw/zinc/36/30/08/569363008.db2.gz NKPCGAOAWVPOES-HBVTUDECSA-N 0 0 417.509 5.632 40 30 HKEBRN O=C1/C(=C/c2ccccc2Cl)S/C(=N\c2ccccc2F)N1C1CCCCC1 ZINC000111904282 560775129 /nfs/dbraw/zinc/77/51/29/560775129.db2.gz GFRXIBBFTNNZAC-UDGIJHFQSA-N 0 0 414.933 6.416 40 30 HKEBRN N#Cc1c(/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)oc(-c2ccco2)c1-c1ccco1 ZINC000111916115 560775140 /nfs/dbraw/zinc/77/51/40/560775140.db2.gz DIEDFCWEGZJSFW-FOKLQQMPSA-N 0 0 407.769 5.983 40 30 HKEBRN COc1ccc(-c2oc(/N=C/c3ccc(C)cc3)c(C#N)c2-c2ccc(OC)cc2)cc1 ZINC000111916238 560775137 /nfs/dbraw/zinc/77/51/37/560775137.db2.gz BPGXHGICGBZXIU-STBIYBPSSA-N 0 0 422.484 6.562 40 30 HKEBRN Oc1ccc2ccccc2c1/C=N/c1ccc(Br)cc1Br ZINC000111944398 560775146 /nfs/dbraw/zinc/77/51/46/560775146.db2.gz RZFKFVHAOWVEKG-KEBDBYFISA-N 0 0 405.089 5.821 40 30 HKEBRN CCCCCCCCCCNS(=O)(=O)c1cc(Cl)c(Cl)cc1Cl ZINC000112189589 568442993 /nfs/dbraw/zinc/44/29/93/568442993.db2.gz FTKVFBDYSOIVMX-UHFFFAOYSA-N 0 0 400.799 6.066 40 30 HKEBRN N#Cc1ccccc1COc1ccc(/C=C2/S/C(=N/c3ccccc3)NC2=O)cc1 ZINC000113833971 560805211 /nfs/dbraw/zinc/80/52/11/560805211.db2.gz ZQTOPBHCVLKWNG-HYARGMPZSA-N 0 0 411.486 5.029 40 30 HKEBRN C=CCN1C(=O)/C(=C\c2cn(Cc3ccc(C)cc3)c3ccccc23)SC1=S ZINC000113838001 560805362 /nfs/dbraw/zinc/80/53/62/560805362.db2.gz DLPJUMFRFIBUAT-FYJGNVAPSA-N 0 0 404.560 5.385 40 30 HKEBRN C=CCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)SC1=S ZINC000113838565 560805392 /nfs/dbraw/zinc/80/53/92/560805392.db2.gz ITFHPAZYSWYRGG-RQZCQDPDSA-N 0 0 423.390 5.788 40 30 HKEBRN COc1cc(C=NNc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccccc1Cl ZINC000113855788 560805618 /nfs/dbraw/zinc/80/56/18/560805618.db2.gz JJQPNSZJBDDGID-QRVIBDJDSA-N 0 0 411.845 5.282 40 30 HKEBRN N#Cc1c2c(sc1/N=C/c1ccc(-c3cccc(C(F)(F)F)c3)o1)CCCC2 ZINC000113857155 560805666 /nfs/dbraw/zinc/80/56/66/560805666.db2.gz AMQZRYIKMLFTJP-RPPGKUMJSA-N 0 0 400.425 6.528 40 30 HKEBRN CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C ZINC000118912442 291292481 /nfs/dbraw/zinc/29/24/81/291292481.db2.gz MKGZDUKUQPPHFM-LPJPOILFSA-N 0 0 410.686 8.009 40 30 biogenic,in-vitro HKEBRN CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](S)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118913307 519648546 /nfs/dbraw/zinc/64/85/46/519648546.db2.gz QGVQZRDQPDLHHV-PAMFVNDTSA-N 0 0 402.732 8.326 40 30 HKEBRN CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](S)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118913308 559205125 /nfs/dbraw/zinc/20/51/25/559205125.db2.gz QGVQZRDQPDLHHV-QGCYDVEPSA-N 0 0 402.732 8.326 40 30 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FLTRILBCYUFBEW-IGBCZVNUSA-N 0 0 405.582 5.509 40 30 HKEBRN CN(/C=C1\C[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)C1=O)c1ccccc1 ZINC000118930571 559206341 /nfs/dbraw/zinc/20/63/41/559206341.db2.gz FLTRILBCYUFBEW-MBJTYVNUSA-N 0 0 405.582 5.509 40 30 HKEBRN CN(/C=C1/C[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)C1=O)c1ccccc1 ZINC000118930572 559206334 /nfs/dbraw/zinc/20/63/34/559206334.db2.gz FLTRILBCYUFBEW-CKMULDFVSA-N 0 0 405.582 5.509 40 30 HKEBRN C=C1[C@@H]2CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC[C@@H]1O ZINC000118931032 518669346 /nfs/dbraw/zinc/66/93/46/518669346.db2.gz VZIGRTXYYCCTRR-LVSAPHKCSA-N 0 0 400.691 7.635 40 30 HKEBRN C=C1[C@@H]2CC[C@H]3[C@@H]4CC[C@H]([C@@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC[C@@H]1O ZINC000118931033 568419685 /nfs/dbraw/zinc/41/96/85/568419685.db2.gz VZIGRTXYYCCTRR-QKUKPTSISA-N 0 0 400.691 7.635 40 30 HKEBRN C=C1[C@@H](O)CC[C@@]2(C)[C@@H]1CC[C@H]1[C@@H]3CC[C@H]([C@H](C)CCCC(C)C)[C@@]3(C)CC[C@@H]12 ZINC000118931034 518666353 /nfs/dbraw/zinc/66/63/53/518666353.db2.gz VZIGRTXYYCCTRR-XVCLFIIUSA-N 0 0 400.691 7.635 40 30 HKEBRN C=C1[C@@H](O)CC[C@@]2(C)[C@@H]1CC[C@H]1[C@@H]3CC[C@H]([C@@H](C)CCCC(C)C)[C@@]3(C)CC[C@@H]12 ZINC000118931035 568419808 /nfs/dbraw/zinc/41/98/08/568419808.db2.gz VZIGRTXYYCCTRR-UDUNJJFBSA-N 0 0 400.691 7.635 40 30 HKEBRN C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)/C=C/c1ccccc1 ZINC000118931417 560869834 /nfs/dbraw/zinc/86/98/34/560869834.db2.gz JNNJOMNLPDCYKP-GSEPXZTGSA-N 0 0 406.610 6.289 40 30 HKEBRN C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)/C=C/c1ccccc1 ZINC000118931419 560869815 /nfs/dbraw/zinc/86/98/15/560869815.db2.gz JNNJOMNLPDCYKP-MFUPKGIFSA-N 0 0 406.610 6.289 40 30 HKEBRN C=C1C[C@H]2C[C@@H](O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@H]3[C@H]12 ZINC000118931433 560869878 /nfs/dbraw/zinc/86/98/78/560869878.db2.gz OPLUXFIQJCETJD-QIVCSNKZSA-N 0 0 400.691 7.635 40 30 HKEBRN C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](OCCC#N)CC[C@@]43C)[C@@H]1CC/C2=N\OCCC#N ZINC000118932307 559206390 /nfs/dbraw/zinc/20/63/90/559206390.db2.gz AGLFPKUPDNYHTN-CFKMZVRZSA-N 0 0 409.574 5.534 40 30 HKEBRN C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](OCCC#N)CC[C@@]43C)[C@@H]1CC/C2=N/OCCC#N ZINC000118932309 525351077 /nfs/dbraw/zinc/35/10/77/525351077.db2.gz AGLFPKUPDNYHTN-QJHBFUJVSA-N 0 0 409.574 5.534 40 30 HKEBRN CO[C@H]1CC[C@@]2(C)C(=CC(=O)[C@H]3[C@@H]4CC[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]32)C1 ZINC000118932596 560869884 /nfs/dbraw/zinc/86/98/84/560869884.db2.gz YLJFYUPNPBFGPI-LTOXSCOASA-N 0 0 414.674 7.222 40 30 HKEBRN CO[C@@H]1CC[C@@]2(C)C(=CC(=O)[C@H]3[C@@H]4CC[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]32)C1 ZINC000118932600 560869864 /nfs/dbraw/zinc/86/98/64/560869864.db2.gz YLJFYUPNPBFGPI-DPBVIQQRSA-N 0 0 414.674 7.222 40 30 HKEBRN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(O)=C(C=O)C[C@]4(C)[C@H]3CC[C@]12C ZINC000118934656 519645860 /nfs/dbraw/zinc/64/58/60/519645860.db2.gz 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519648434 /nfs/dbraw/zinc/64/84/34/519648434.db2.gz YBGNTBYIXGTDRY-JXDUNPRVSA-N 0 0 401.679 7.938 40 30 HKEBRN CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C/C(=N\O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118935249 559206566 /nfs/dbraw/zinc/20/65/66/559206566.db2.gz YBGNTBYIXGTDRY-DFMSPESFSA-N 0 0 401.679 7.938 40 30 HKEBRN C=C[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3C[C@H](OC(C)=O)[C@]12C ZINC000118935304 560870033 /nfs/dbraw/zinc/87/00/33/560870033.db2.gz WJHSEWONWLVSGI-FPWCFHQCSA-N 0 0 402.575 5.305 40 30 HKEBRN C=C[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3C[C@H](OC(C)=O)[C@]12C ZINC000118935305 560870001 /nfs/dbraw/zinc/87/00/01/560870001.db2.gz WJHSEWONWLVSGI-VDYVOLKCSA-N 0 0 402.575 5.305 40 30 HKEBRN C=C[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3C[C@H](OC(C)=O)[C@]12C ZINC000118935306 519300479 /nfs/dbraw/zinc/30/04/79/519300479.db2.gz WJHSEWONWLVSGI-CSHQKTAISA-N 0 0 402.575 5.305 40 30 HKEBRN C=C[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3C[C@H](OC(C)=O)[C@]12C ZINC000118935307 560870020 /nfs/dbraw/zinc/87/00/20/560870020.db2.gz WJHSEWONWLVSGI-ZCHBMYMGSA-N 0 0 402.575 5.305 40 30 HKEBRN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C/C(=N/O)[C@@H]5O[C@@H]5[C@]4(C)[C@H]3CC[C@]12C ZINC000118936294 559206613 /nfs/dbraw/zinc/20/66/13/559206613.db2.gz FEKAJWKTTGKVJA-RSNDJRMYSA-N 0 0 415.662 6.925 40 30 HKEBRN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C/C(=N\O)[C@@H]5O[C@@H]5[C@]4(C)[C@H]3CC[C@]12C ZINC000118936295 559206633 /nfs/dbraw/zinc/20/66/33/559206633.db2.gz FEKAJWKTTGKVJA-VBMIRMFFSA-N 0 0 415.662 6.925 40 30 HKEBRN CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C/C(=N/O)[C@@H]5O[C@@H]5[C@]4(C)[C@H]3CC[C@]12C ZINC000118936296 559206605 /nfs/dbraw/zinc/20/66/05/559206605.db2.gz FEKAJWKTTGKVJA-FRAWHWJMSA-N 0 0 415.662 6.925 40 30 HKEBRN CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C/C(=N\O)[C@@H]5O[C@@H]5[C@]4(C)[C@H]3CC[C@]12C ZINC000118936297 559206614 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/nfs/dbraw/zinc/04/89/17/571048917.db2.gz FLUNCYADCCYJBE-JFLMPSFJSA-N 0 0 422.956 6.582 40 30 HKEBRN Cc1cc(/C=N/c2ccc(Br)c(C)c2)c(C)n1-c1ccc2ncccc2c1 ZINC000197801616 571048940 /nfs/dbraw/zinc/04/89/40/571048940.db2.gz SWYAZOQCPYYNRB-VULFUBBASA-N 0 0 418.338 6.464 40 30 HKEBRN Cc1cc(/C=N/c2ccc(-c3ccccc3)cc2)c(C)n1-c1ccc2ncccc2c1 ZINC000197857159 571048911 /nfs/dbraw/zinc/04/89/11/571048911.db2.gz OAISDNKQAFGVAZ-NDZAJKAJSA-N 0 0 401.513 7.060 40 30 HKEBRN C=CC/C(C#C[Si](C)(C)C)=C(\C#Cc1ccc(C(F)(F)F)cc1)[Si](C)(C)C ZINC000197882134 569318625 /nfs/dbraw/zinc/31/86/25/569318625.db2.gz JZSSXFZUAVSSTN-VZCXRCSSSA-N 0 0 404.624 6.688 40 30 HKEBRN CCOc1ccc(NC(=O)CCSc2nc(-c3ccccc3)ccc2C#N)cc1 ZINC000197915228 569318646 /nfs/dbraw/zinc/31/86/46/569318646.db2.gz ZHUGVSFYIWNVQV-UHFFFAOYSA-N 0 0 403.507 5.140 40 30 HKEBRN COc1ccccc1Oc1ccc(/N=C/c2ccc3c(c2)[C@H](C)CC(C)(C)N3C)cc1 ZINC000198074667 560891583 /nfs/dbraw/zinc/89/15/83/560891583.db2.gz IHEYKHXHRYFGBB-AZFHEMCLSA-N 0 0 414.549 6.960 40 30 HKEBRN COc1ccccc1Oc1ccc(/N=C/c2ccc3c(c2)[C@@H](C)CC(C)(C)N3C)cc1 ZINC000198074676 560891638 /nfs/dbraw/zinc/89/16/38/560891638.db2.gz IHEYKHXHRYFGBB-VKLJRCAFSA-N 0 0 414.549 6.960 40 30 HKEBRN COc1ccc(Oc2ccc(/N=C/c3ccc4c(c3)[C@H](C)CC(C)(C)N4C)cc2)cc1 ZINC000198074690 560891661 /nfs/dbraw/zinc/89/16/61/560891661.db2.gz MDFRIDBNLNXLKE-AZFHEMCLSA-N 0 0 414.549 6.960 40 30 HKEBRN COc1ccc(Oc2ccc(/N=C/c3ccc4c(c3)[C@@H](C)CC(C)(C)N4C)cc2)cc1 ZINC000198074699 560891577 /nfs/dbraw/zinc/89/15/77/560891577.db2.gz MDFRIDBNLNXLKE-VKLJRCAFSA-N 0 0 414.549 6.960 40 30 HKEBRN Cc1ccc(Oc2ccc(/N=C/c3cc4c(cc3C)N(C)C(C)(C)C[C@@H]4C)cc2)cc1 ZINC000198080654 560891717 /nfs/dbraw/zinc/89/17/17/560891717.db2.gz RYEJPWWJMOXSKJ-DFVFNMDZSA-N 0 0 412.577 7.568 40 30 HKEBRN Cc1ccc(Oc2ccc(/N=C/c3cc4c(cc3C)N(C)C(C)(C)C[C@H]4C)cc2)cc1 ZINC000198080666 571048938 /nfs/dbraw/zinc/04/89/38/571048938.db2.gz RYEJPWWJMOXSKJ-LJVLJBDNSA-N 0 0 412.577 7.568 40 30 HKEBRN C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N/c3ccc(N4CCOCC4)cc3)cc21 ZINC000198082635 560891707 /nfs/dbraw/zinc/89/17/07/560891707.db2.gz MJMVKVNPNBLGGR-MOROIOLQSA-N 0 0 411.977 5.649 40 30 HKEBRN C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N/c3ccc(N4CCOCC4)cc3)cc21 ZINC000198082643 560891724 /nfs/dbraw/zinc/89/17/24/560891724.db2.gz MJMVKVNPNBLGGR-GNYKCMPYSA-N 0 0 411.977 5.649 40 30 HKEBRN C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N/c3ccc(Br)cc3)cc21 ZINC000198084747 560891889 /nfs/dbraw/zinc/89/18/89/560891889.db2.gz MAFMYPYSFGNTIV-GHONEHJGSA-N 0 0 405.767 6.575 40 30 HKEBRN C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N/c3ccc(Br)cc3)cc21 ZINC000198084757 560891821 /nfs/dbraw/zinc/89/18/21/560891821.db2.gz MAFMYPYSFGNTIV-ZXCVBSDHSA-N 0 0 405.767 6.575 40 30 HKEBRN C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N/c3ccc(Oc4ccccc4)cc3)cc21 ZINC000198086185 560891824 /nfs/dbraw/zinc/89/18/24/560891824.db2.gz RVWIKEBILOIGAJ-OQIQZUQJSA-N 0 0 418.968 7.605 40 30 HKEBRN C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N/c3ccc(Oc4ccccc4)cc3)cc21 ZINC000198086190 560891854 /nfs/dbraw/zinc/89/18/54/560891854.db2.gz RVWIKEBILOIGAJ-ADXYVXIDSA-N 0 0 418.968 7.605 40 30 HKEBRN CCN1c2ccc(/C=N/c3ccc(Oc4ccc(C)cc4)cc3)cc2[C@H](C)CC1(C)C ZINC000198095828 571048951 /nfs/dbraw/zinc/04/89/51/571048951.db2.gz WOFPFLHRPXAERH-LBGKPPMZSA-N 0 0 412.577 7.650 40 30 HKEBRN CCN1c2ccc(/C=N/c3ccc(Oc4ccc(C)cc4)cc3)cc2[C@@H](C)CC1(C)C ZINC000198095838 560891884 /nfs/dbraw/zinc/89/18/84/560891884.db2.gz WOFPFLHRPXAERH-JCJHSNGYSA-N 0 0 412.577 7.650 40 30 HKEBRN CCN1c2cc(C)c(/C=N/c3ccc(N4CCOCC4)cc3)cc2[C@H](C)CC1(C)C ZINC000198100791 571048906 /nfs/dbraw/zinc/04/89/06/571048906.db2.gz CUDKZUXYXANFPF-QZCBGFPPSA-N 0 0 405.586 5.694 40 30 HKEBRN CCN1c2cc(C)c(/C=N/c3ccc(N4CCOCC4)cc3)cc2[C@@H](C)CC1(C)C ZINC000198100802 560891871 /nfs/dbraw/zinc/89/18/71/560891871.db2.gz CUDKZUXYXANFPF-FGAYPWGZSA-N 0 0 405.586 5.694 40 30 HKEBRN CCN1c2cc(C)c(/C=N/c3ccc(Oc4ccccc4)cc3)cc2[C@H](C)CC1(C)C ZINC000198101518 571048898 /nfs/dbraw/zinc/04/88/98/571048898.db2.gz QTVQGXVYYVGDLY-LBGKPPMZSA-N 0 0 412.577 7.650 40 30 HKEBRN CCN1c2cc(C)c(/C=N/c3ccc(Oc4ccccc4)cc3)cc2[C@@H](C)CC1(C)C ZINC000198101530 560891848 /nfs/dbraw/zinc/89/18/48/560891848.db2.gz QTVQGXVYYVGDLY-JCJHSNGYSA-N 0 0 412.577 7.650 40 30 HKEBRN COc1ccccc1Oc1ccc(/N=C/c2ccc3c(c2)C(C)=CC(C)(C)N3C)cc1 ZINC000198147144 560891983 /nfs/dbraw/zinc/89/19/83/560891983.db2.gz GNEKAFNMIVDGHP-MTDXEUNCSA-N 0 0 412.533 6.870 40 30 HKEBRN COc1ccc(Oc2ccc(/N=C/c3ccc4c(c3)C(C)=CC(C)(C)N4C)cc2)cc1 ZINC000198147152 560892004 /nfs/dbraw/zinc/89/20/04/560892004.db2.gz LLXGQQXOIJRFEW-MTDXEUNCSA-N 0 0 412.533 6.870 40 30 HKEBRN CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=N/c3ccc(N4CCOCC4)cc3)cc21 ZINC000198149657 560891949 /nfs/dbraw/zinc/89/19/49/560891949.db2.gz GERDYYBLERCTCW-WGOQTCKBSA-N 0 0 409.961 5.559 40 30 HKEBRN Cc1ccc(Oc2ccc(/N=C/c3cc4c(cc3C)N(C)C(C)(C)C=C4C)cc2)cc1 ZINC000198151024 560891928 /nfs/dbraw/zinc/89/19/28/560891928.db2.gz JUVWFIXZYMPQQG-RDRPBHBLSA-N 0 0 410.561 7.478 40 30 HKEBRN CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=N/c3ccc(Oc4ccccc4)cc3)cc21 ZINC000198151315 560891959 /nfs/dbraw/zinc/89/19/59/560891959.db2.gz ZMOZDVMXQSXQTN-OGLMXYFKSA-N 0 0 416.952 7.515 40 30 HKEBRN CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=N/c3ccc(Br)cc3)cc21 ZINC000198153677 560892013 /nfs/dbraw/zinc/89/20/13/560892013.db2.gz GIIHHUZHIKFNFM-FSJBWODESA-N 0 0 403.751 6.485 40 30 HKEBRN CCN1c2cc(C)c(/C=N/c3ccc(N4CCOCC4)cc3)cc2C(C)=CC1(C)C ZINC000198159461 560891956 /nfs/dbraw/zinc/89/19/56/560891956.db2.gz MNRJONMRTLIXHP-OVVQPSECSA-N 0 0 403.570 5.604 40 30 HKEBRN CCN1c2ccc(/C=N/c3ccc(Oc4ccc(C)cc4)cc3)cc2C(C)=CC1(C)C ZINC000198160663 560891936 /nfs/dbraw/zinc/89/19/36/560891936.db2.gz MMKPXWTWJWKGMI-VUTHCHCSSA-N 0 0 410.561 7.560 40 30 HKEBRN CCN1c2cc(C)c(/C=N/c3ccc(Oc4ccccc4)cc3)cc2C(C)=CC1(C)C ZINC000198161826 560891999 /nfs/dbraw/zinc/89/19/99/560891999.db2.gz ZTMYWYCBFAGUIO-VUTHCHCSSA-N 0 0 410.561 7.560 40 30 HKEBRN CCN1c2cc(C)c(/C=N/c3ccc(Oc4ccc(C)cc4)cc3)cc2C(C)=CC1(C)C ZINC000198161879 560891990 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CC1=CC(C)(C)N(C(C)C)c2ccc(/C=C3\S/C(=N\c4ccccc4)NC3=O)cc21 ZINC000223483869 568550111 /nfs/dbraw/zinc/55/01/11/568550111.db2.gz XDVQMSIECQSUBF-HMAPJEAMSA-N 0 0 417.578 5.989 40 30 HKEBRN CC1=CC(C)(C)N(C(C)C)c2ccc(/C=N/c3ccc(Oc4ccccc4)cc3)cc21 ZINC000223491095 568550376 /nfs/dbraw/zinc/55/03/76/568550376.db2.gz JYPLQQJYMVNDHD-VUTHCHCSSA-N 0 0 410.561 7.640 40 30 HKEBRN Cc1ccc(Oc2ccc(/N=C/c3ccc4c(c3)C(C)=CC(C)(C)N4C(C)C)cc2)cc1 ZINC000223491180 568550360 /nfs/dbraw/zinc/55/03/60/568550360.db2.gz MZKKUVJRKMRTQV-NDZAJKAJSA-N 0 0 424.588 7.948 40 30 HKEBRN Cc1cc2c(cc1/C=C1\S/C(=N\c3ccccc3)N(C)C1=O)C(C)=CC(C)(C)N2C ZINC000223496993 568550499 /nfs/dbraw/zinc/55/04/99/568550499.db2.gz NVANMWWTLDPJSJ-PZFZXBCHSA-N 0 0 417.578 5.861 40 30 HKEBRN Cc1cc2c(cc1/C=N/c1ccc(N3CCOCC3)cc1)C(C)=CC(C)(C)N2C(C)C ZINC000223500712 568550429 /nfs/dbraw/zinc/55/04/29/568550429.db2.gz GAEQZUCZEBMYNY-MTDXEUNCSA-N 0 0 417.597 5.993 40 30 HKEBRN Cc1cc2c(cc1/C=N\NC(=S)Nc1ccccc1)C(C)=CC(C)(C)N2C(C)C ZINC000223506645 568550686 /nfs/dbraw/zinc/55/06/86/568550686.db2.gz GMUFFNKIORCODP-MYYYXRDXSA-N 0 0 406.599 5.726 40 30 HKEBRN CC/N=C1\S/C(=C\c2cc3c(cc2C)N(C(C)C)C(C)(C)C=C3C)C(=O)N1CC ZINC000223512090 568550676 /nfs/dbraw/zinc/55/06/76/568550676.db2.gz YLMNWFLKNSFODU-LGHZWSLZSA-N 0 0 411.615 5.717 40 30 HKEBRN Cc1cc2c(cc1/C=N/c1ccc(Oc3ccccc3)cc1)C(C)=CC(C)(C)N2C(C)C ZINC000223516671 568550800 /nfs/dbraw/zinc/55/08/00/568550800.db2.gz LCYAPLFYIKUSPF-NDZAJKAJSA-N 0 0 424.588 7.948 40 30 HKEBRN C=CCN1C(=O)/C(=C/c2cc3c(cc2C)N(C(C)C)C(C)(C)C=C3C)SC1=S ZINC000223518613 559124091 /nfs/dbraw/zinc/12/40/91/559124091.db2.gz LGOVBWCPMIIASU-NDENLUEZSA-N 0 0 412.624 5.793 40 30 HKEBRN Cc1cc2c(cc1/C=N/c1ccc(Br)cc1)C(C)=CC(C)(C)N2C(C)C ZINC000223521763 568550930 /nfs/dbraw/zinc/55/09/30/568550930.db2.gz DJESOEYVOKYAIC-AFUMVMLFSA-N 0 0 411.387 6.918 40 30 HKEBRN C[C@@H]1CC(C)(C)N(C)c2ccc(/C=C3\S/C(=N/c4ccccc4)N(C)C3=O)cc21 ZINC000223524816 568550950 /nfs/dbraw/zinc/55/09/50/568550950.db2.gz SGLWJVROOQOUTF-HQBBIKFRSA-N 0 0 405.567 5.642 40 30 HKEBRN CCN1C(=O)/C(=C/c2ccc3c(c2)[C@@H](C)CC(C)(C)N3C)S/C1=N/c1ccccc1 ZINC000223524906 568550937 /nfs/dbraw/zinc/55/09/37/568550937.db2.gz ODKHKQTZLWVGGD-SFNVVVPJSA-N 0 0 419.594 6.033 40 30 HKEBRN CCN1c2ccc(CN=Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2[C@@H](C)CC1(C)C ZINC000223527196 568550906 /nfs/dbraw/zinc/55/09/06/568550906.db2.gz RKPYQYSFEJCKFZ-KOUDTOEKSA-N 0 0 411.462 5.061 40 30 HKEBRN CCN1c2ccc(/C=C3\S/C(=N\c4ccccc4)NC3=O)cc2[C@@H](C)CC1(C)C ZINC000223533377 568551078 /nfs/dbraw/zinc/55/10/78/568551078.db2.gz KKCYKIIRCAKMNV-AKGOGDBKSA-N 0 0 405.567 5.690 40 30 HKEBRN CCN1c2ccc(/C=C3\S/C(=N\c4ccc(C)cc4)NC3=O)cc2[C@@H](C)CC1(C)C ZINC000223533435 568551018 /nfs/dbraw/zinc/55/10/18/568551018.db2.gz GOSDMVYBRAXRFN-CPEHUTGBSA-N 0 0 419.594 5.999 40 30 HKEBRN CCN1c2ccc(/C=C3\S/C(=N\c4cccc(C)c4)NC3=O)cc2[C@@H](C)CC1(C)C ZINC000223533490 568551126 /nfs/dbraw/zinc/55/11/26/568551126.db2.gz NZSAVZIZVVSGIX-CPEHUTGBSA-N 0 0 419.594 5.999 40 30 HKEBRN CCN1c2ccc(/C=C3\S/C(=N\c4ccccc4)N(C)C3=O)cc2[C@@H](C)CC1(C)C ZINC000223533837 568551141 /nfs/dbraw/zinc/55/11/41/568551141.db2.gz RHBARAQNCHUNLU-REFLOSCSSA-N 0 0 419.594 6.033 40 30 HKEBRN CCN1c2ccc(/C=C3\S/C(=N/c4ccccc4)N(C)C3=O)cc2[C@@H](C)CC1(C)C ZINC000223533903 568551178 /nfs/dbraw/zinc/55/11/78/568551178.db2.gz RHBARAQNCHUNLU-SFNVVVPJSA-N 0 0 419.594 6.033 40 30 HKEBRN CCN1c2ccc(/C=C3\S/C(=N\c4ccccc4C)NC3=O)cc2[C@@H](C)CC1(C)C ZINC000223533971 568551193 /nfs/dbraw/zinc/55/11/93/568551193.db2.gz SEBDVFCKSAOWTB-CPEHUTGBSA-N 0 0 419.594 5.999 40 30 HKEBRN CCN1c2ccc(/C=C3\S/C(=N\c4ccc(F)cc4)NC3=O)cc2[C@@H](C)CC1(C)C ZINC000223534389 568551165 /nfs/dbraw/zinc/55/11/65/568551165.db2.gz WYRGMSFLWURJGU-MNAFEPAFSA-N 0 0 423.557 5.829 40 30 HKEBRN CC(C)N1c2ccc(/C=N/c3ccc(N4CCOCC4)cc3)cc2[C@@H](C)CC1(C)C ZINC000223541646 568551251 /nfs/dbraw/zinc/55/12/51/568551251.db2.gz YXYIJIXCVVIHGF-FGAYPWGZSA-N 0 0 405.586 5.774 40 30 HKEBRN CC(C)N1c2ccc(/C=C3\S/C(=N\c4ccccc4)NC3=O)cc2[C@@H](C)CC1(C)C ZINC000223552688 568551578 /nfs/dbraw/zinc/55/15/78/568551578.db2.gz SMXDJDXBFPIPDP-CPEHUTGBSA-N 0 0 419.594 6.079 40 30 HKEBRN CC(C)N1c2ccc(/C=N/c3ccc(Oc4ccccc4)cc3)cc2[C@@H](C)CC1(C)C ZINC000223562327 568551816 /nfs/dbraw/zinc/55/18/16/568551816.db2.gz MXRWJOJZRABSIS-JCJHSNGYSA-N 0 0 412.577 7.730 40 30 HKEBRN C=CCN1C(=O)/C(=C/c2ccc3c(c2)[C@@H](C)CC(C)(C)N3C(C)C)SC1=S ZINC000223565118 559154844 /nfs/dbraw/zinc/15/48/44/559154844.db2.gz SXDHZLQVZPNWJR-CCRNYGKSSA-N 0 0 400.613 5.574 40 30 HKEBRN C=CCN1C(=O)/C(=C/c2ccc3c(c2)[C@H](C)CC(C)(C)N3C(C)C)SC1=S ZINC000223565181 559154792 /nfs/dbraw/zinc/15/47/92/559154792.db2.gz SXDHZLQVZPNWJR-VUFYJBQKSA-N 0 0 400.613 5.574 40 30 HKEBRN Cc1cc2c(cc1/C=C1\S/C(=N\c3ccccc3)N(C)C1=O)[C@@H](C)CC(C)(C)N2C ZINC000223570087 568551914 /nfs/dbraw/zinc/55/19/14/568551914.db2.gz UGSVNXDLUDWLDK-DPGFWJQXSA-N 0 0 419.594 5.951 40 30 HKEBRN CCN1c2cc(C)c(/C=C3\S/C(=N\c4ccccc4)NC3=O)cc2[C@@H](C)CC1(C)C ZINC000223578862 568552188 /nfs/dbraw/zinc/55/21/88/568552188.db2.gz XCCNBZMUCONUNG-CPEHUTGBSA-N 0 0 419.594 5.999 40 30 HKEBRN C=CCN1C(=O)/C(=C/c2cc3c(cc2C)N(CC)C(C)(C)C[C@@H]3C)SC1=S ZINC000223584869 559157241 /nfs/dbraw/zinc/15/72/41/559157241.db2.gz FYLRIVNTJBCITK-CCRNYGKSSA-N 0 0 400.613 5.494 40 30 HKEBRN Cc1cc2c(cc1/C=N/c1ccc(N3CCOCC3)cc1)[C@@H](C)CC(C)(C)N2C(C)C ZINC000223587429 568552522 /nfs/dbraw/zinc/55/25/22/568552522.db2.gz YBFWWCTYECHILZ-PWIYWSIBSA-N 0 0 419.613 6.083 40 30 HKEBRN Cc1cc2c(cc1/C=N/c1ccc(N3CCOCC3)cc1)[C@H](C)CC(C)(C)N2C(C)C ZINC000223587483 568552452 /nfs/dbraw/zinc/55/24/52/568552452.db2.gz YBFWWCTYECHILZ-YFHGFKKUSA-N 0 0 419.613 6.083 40 30 HKEBRN Cc1cc2c(cc1/C=N\NC(=S)Nc1ccccc1)[C@@H](C)CC(C)(C)N2C(C)C ZINC000223596609 568552885 /nfs/dbraw/zinc/55/28/85/568552885.db2.gz RYDCDMDCNLXYMG-AOBKZXEFSA-N 0 0 408.615 5.816 40 30 HKEBRN Cc1cc2c(cc1/C=N\NC(=S)Nc1ccccc1)[C@H](C)CC(C)(C)N2C(C)C ZINC000223596673 568552800 /nfs/dbraw/zinc/55/28/00/568552800.db2.gz RYDCDMDCNLXYMG-SDPDQUOZSA-N 0 0 408.615 5.816 40 30 HKEBRN CC/N=C1\S/C(=C\c2cc3c(cc2C)N(C(C)C)C(C)(C)C[C@@H]3C)C(=O)N1CC ZINC000223605065 568553108 /nfs/dbraw/zinc/55/31/08/568553108.db2.gz SIJFNEBOYFABKV-STAAWOJUSA-N 0 0 413.631 5.808 40 30 HKEBRN C=CCN1C(=O)/C(=C/c2cc3c(cc2C)N(C(C)C)C(C)(C)C[C@@H]3C)SC1=S ZINC000223613990 518824087 /nfs/dbraw/zinc/82/40/87/518824087.db2.gz BDSCEDPCOCUMLY-DEFALTHMSA-N 0 0 414.640 5.883 40 30 HKEBRN Cc1cc2c(cc1/C=N/c1ccc(Br)cc1)[C@@H](C)CC(C)(C)N2C(C)C ZINC000223618445 568553504 /nfs/dbraw/zinc/55/35/04/568553504.db2.gz MFQMQQWRJZAICM-YSGZUTGPSA-N 0 0 413.403 7.009 40 30 HKEBRN Cc1cc2c(cc1/C=N/c1ccc(Br)cc1)[C@H](C)CC(C)(C)N2C(C)C ZINC000223618500 568553520 /nfs/dbraw/zinc/55/35/20/568553520.db2.gz MFQMQQWRJZAICM-NFXIUMSZSA-N 0 0 413.403 7.009 40 30 HKEBRN N#Cc1c(N)nc(SCc2ccc(Br)cc2)nc1C1CCCCC1 ZINC000223663097 569030987 /nfs/dbraw/zinc/03/09/87/569030987.db2.gz PJQCVINFUQHMTJ-UHFFFAOYSA-N 0 0 403.349 5.033 40 30 HKEBRN N#Cc1c(N)nc(SCc2ccc(Cl)cc2Cl)nc1Cc1ccccc1 ZINC000223664594 569030972 /nfs/dbraw/zinc/03/09/72/569030972.db2.gz CMOPZMQFWXRXHY-UHFFFAOYSA-N 0 0 401.322 5.120 40 30 HKEBRN N#Cc1c(N)nc(SCc2ccccc2Cl)nc1Cc1ccccc1Cl ZINC000223666376 569031029 /nfs/dbraw/zinc/03/10/29/569031029.db2.gz ZEWSJLYWBIVWIT-UHFFFAOYSA-N 0 0 401.322 5.120 40 30 HKEBRN N#Cc1c(N)nc(SCc2ccc(Cl)cc2)nc1Cc1ccccc1Cl ZINC000223666466 569031037 /nfs/dbraw/zinc/03/10/37/569031037.db2.gz UVANZAVWABVEQU-UHFFFAOYSA-N 0 0 401.322 5.120 40 30 HKEBRN N#Cc1c(N)nc(SCc2cccc3ccccc32)nc1Cc1ccccc1Cl ZINC000223667414 569031035 /nfs/dbraw/zinc/03/10/35/569031035.db2.gz QDCLYBZNCPZGCP-UHFFFAOYSA-N 0 0 416.937 5.620 40 30 HKEBRN N#Cc1c(N)nc(SCc2ccccc2Cl)nc1Cc1ccc(Cl)cc1 ZINC000223668384 569031030 /nfs/dbraw/zinc/03/10/30/569031030.db2.gz CBCKCUUNZLHQSB-UHFFFAOYSA-N 0 0 401.322 5.120 40 30 HKEBRN N#Cc1c(N)nc(SCc2ccc(Cl)cc2)nc1Cc1ccc(Cl)cc1 ZINC000223668460 569031027 /nfs/dbraw/zinc/03/10/27/569031027.db2.gz YCBCQUSIOBGAKR-UHFFFAOYSA-N 0 0 401.322 5.120 40 30 HKEBRN N#Cc1c(N)nc(SCc2cccc3ccccc32)nc1Cc1ccc(Cl)cc1 ZINC000223669386 569031005 /nfs/dbraw/zinc/03/10/05/569031005.db2.gz IPTCIARLHCWWGN-UHFFFAOYSA-N 0 0 416.937 5.620 40 30 HKEBRN Cc1cccc(Cc2nc(SCc3ccc(Cl)cc3Cl)nc(N)c2C#N)c1 ZINC000223670654 569031003 /nfs/dbraw/zinc/03/10/03/569031003.db2.gz GBGUVSUJTWZSKP-UHFFFAOYSA-N 0 0 415.349 5.429 40 30 HKEBRN Cc1ccc(Cc2nc(SCc3ccc(Cl)cc3Cl)nc(N)c2C#N)cc1 ZINC000223672798 569031021 /nfs/dbraw/zinc/03/10/21/569031021.db2.gz LYNSAFFTKMAHAK-UHFFFAOYSA-N 0 0 415.349 5.429 40 30 HKEBRN N#Cc1c(N)nc(SCc2ccc(Cl)cc2Cl)nc1Cc1ccccc1F ZINC000223675291 569031028 /nfs/dbraw/zinc/03/10/28/569031028.db2.gz IUMGWNYERHOXTP-UHFFFAOYSA-N 0 0 419.312 5.259 40 30 HKEBRN N#Cc1c(N)nc(SCc2cccc3ccccc32)nc1Cc1ccccc1F ZINC000223676095 569031011 /nfs/dbraw/zinc/03/10/11/569031011.db2.gz BBZVYSYISIXBOY-UHFFFAOYSA-N 0 0 400.482 5.106 40 30 HKEBRN N#Cc1c(N)nc(SCc2ccc(Cl)cc2Cl)nc1Cc1cccc(F)c1 ZINC000223677229 569031040 /nfs/dbraw/zinc/03/10/40/569031040.db2.gz RKVVRQGPOGFBQS-UHFFFAOYSA-N 0 0 419.312 5.259 40 30 HKEBRN N#Cc1c(N)nc(SCc2cccc3ccccc32)nc1Cc1cccc(F)c1 ZINC000223677991 569031047 /nfs/dbraw/zinc/03/10/47/569031047.db2.gz WRPRQQHDSGQHLX-UHFFFAOYSA-N 0 0 400.482 5.106 40 30 HKEBRN N#Cc1c(N)nc(SCc2ccc(Cl)cc2Cl)nc1Cc1ccc(F)cc1 ZINC000223679159 569031117 /nfs/dbraw/zinc/03/11/17/569031117.db2.gz WJQHQATZKVLFAB-UHFFFAOYSA-N 0 0 419.312 5.259 40 30 HKEBRN N#Cc1c(N)nc(SCc2cccc3ccccc32)nc1Cc1ccc(F)cc1 ZINC000223679950 569031053 /nfs/dbraw/zinc/03/10/53/569031053.db2.gz LDRQCXRIUYLPAF-UHFFFAOYSA-N 0 0 400.482 5.106 40 30 HKEBRN N#Cc1c(N)nc(SCc2ccc(Cl)cc2Cl)nc1COc1ccccc1 ZINC000223681076 569031093 /nfs/dbraw/zinc/03/10/93/569031093.db2.gz ADZSCDLEXQMNBW-UHFFFAOYSA-N 0 0 417.321 5.109 40 30 HKEBRN Cc1ccccc1OCc1nc(SCc2cccc3ccccc32)nc(N)c1C#N ZINC000223683965 569031108 /nfs/dbraw/zinc/03/11/08/569031108.db2.gz GHACBUBEJJIIOT-UHFFFAOYSA-N 0 0 412.518 5.263 40 30 HKEBRN Cc1cccc(OCc2nc(SCc3cccc4ccccc43)nc(N)c2C#N)c1 ZINC000223685963 569031074 /nfs/dbraw/zinc/03/10/74/569031074.db2.gz MFKAPKYVUNFKOB-UHFFFAOYSA-N 0 0 412.518 5.263 40 30 HKEBRN Cc1ccc(OCc2nc(SCc3cccc4ccccc43)nc(N)c2C#N)cc1 ZINC000223687979 569031091 /nfs/dbraw/zinc/03/10/91/569031091.db2.gz UKVHDRBSKGAJOT-UHFFFAOYSA-N 0 0 412.518 5.263 40 30 HKEBRN N#Cc1c(N)nc(SCc2cccc3ccccc32)nc1COc1ccc(F)cc1 ZINC000223689960 569031135 /nfs/dbraw/zinc/03/11/35/569031135.db2.gz LONBSTZEIYHXMU-UHFFFAOYSA-N 0 0 416.481 5.094 40 30 HKEBRN CC(C)c1ccc2c(c1)C(=NNc1ccc(Cl)cc1Cl)C(=O)N2C1CSC1 ZINC000223727705 568557581 /nfs/dbraw/zinc/55/75/81/568557581.db2.gz QALDQKBHEBPHHY-CLCOLTQESA-N 0 0 420.365 5.395 40 30 HKEBRN CC(C)c1ccc2c(c1)C(=NNc1cc(Cl)cc(Cl)c1)C(=O)N2C1CSC1 ZINC000223727785 519840504 /nfs/dbraw/zinc/84/05/04/519840504.db2.gz GTHHBFIOOHAROW-CLCOLTQESA-N 0 0 420.365 5.395 40 30 HKEBRN CC(C)c1ccc2c(c1)C(=NNc1cccc(C(F)(F)F)c1)C(=O)N2C1CSC1 ZINC000223729021 568557573 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CCCCOc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCCCC2)c(C#N)c1 ZINC000225768545 568672705 /nfs/dbraw/zinc/67/27/05/568672705.db2.gz WZOLLPRMEOAMEO-UHFFFAOYSA-N 0 0 406.526 5.586 40 30 HKEBRN CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCCCC2)c(C#N)c1 ZINC000225768575 522265457 /nfs/dbraw/zinc/26/54/57/522265457.db2.gz HGAMRQWTOMZKDH-GOSISDBHSA-N 0 0 406.526 5.585 40 30 HKEBRN CC[C@H](C)Oc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCCCC2)c(C#N)c1 ZINC000225768593 568781155 /nfs/dbraw/zinc/78/11/55/568781155.db2.gz HGAMRQWTOMZKDH-SFHVURJKSA-N 0 0 406.526 5.585 40 30 HKEBRN COc1ccc(C2(C(=O)Nc3ccc(OCC(C)C)cc3C#N)CCCCC2)cc1 ZINC000225768626 523866419 /nfs/dbraw/zinc/86/64/19/523866419.db2.gz BAFXJHGATNPZKG-UHFFFAOYSA-N 0 0 406.526 5.442 40 30 HKEBRN C=CCOc1ccc(NC(=S)N[C@@H](c2ccccc2)c2ccc(C)cc2C)cc1 ZINC000225769146 559272381 /nfs/dbraw/zinc/27/23/81/559272381.db2.gz AGTZTBGVQZIGNM-DEOSSOPVSA-N 0 0 402.563 5.944 40 30 HKEBRN C=CCOc1ccc(NC(=S)N[C@H](c2ccccc2)c2ccc(C)cc2C)cc1 ZINC000225769164 559272355 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CC[C@H](C)Oc1ccc(NC(=O)C2(c3ccccc3Cl)CCOCC2)c(C#N)c1 ZINC000225777952 568781560 /nfs/dbraw/zinc/78/15/60/568781560.db2.gz XFRXFQXXVUBDGD-INIZCTEOSA-N 0 0 412.917 5.076 40 30 HKEBRN CCCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)cc1C#N ZINC000225778985 568781573 /nfs/dbraw/zinc/78/15/73/568781573.db2.gz SSYIMXRGSLLVKU-UHFFFAOYSA-N 0 0 412.917 5.077 40 30 HKEBRN CCCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)c(C#N)c1 ZINC000225779135 568781588 /nfs/dbraw/zinc/78/15/88/568781588.db2.gz CFJKUZGZUFNMHK-UHFFFAOYSA-N 0 0 412.917 5.077 40 30 HKEBRN CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)c(C#N)c1 ZINC000225779153 568781547 /nfs/dbraw/zinc/78/15/47/568781547.db2.gz RFQYFTLHVIPPPM-MRXNPFEDSA-N 0 0 412.917 5.076 40 30 HKEBRN CC[C@H](C)Oc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)c(C#N)c1 ZINC000225779166 568781549 /nfs/dbraw/zinc/78/15/49/568781549.db2.gz RFQYFTLHVIPPPM-INIZCTEOSA-N 0 0 412.917 5.076 40 30 HKEBRN C=CCOc1cccc(NC(=O)/C(=C/c2cccs2)NC(=O)c2cccc(C)c2)c1 ZINC000225815084 559272306 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ZINC000245238733 525348858 /nfs/dbraw/zinc/34/88/58/525348858.db2.gz AHMJMFJZNJAALU-MVOISCCBSA-N 0 0 402.578 6.159 40 30 HKEBRN CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)C(C#Cc5ccccc5)=CC[C@@H]4[C@H]3CC[C@H]2C1 ZINC000245238910 569370351 /nfs/dbraw/zinc/37/03/51/569370351.db2.gz CKXFHIVEFDOLKD-BXZLKHLESA-N 0 0 416.605 6.549 40 30 HKEBRN CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)C(C#Cc5ccccc5)=CC[C@@H]4[C@H]3CC[C@H]2C1 ZINC000245238911 569370362 /nfs/dbraw/zinc/37/03/62/569370362.db2.gz CKXFHIVEFDOLKD-JCOJYLPPSA-N 0 0 416.605 6.549 40 30 HKEBRN c1ccc(CC(N=Nc2ccccc2)=C(Cc2ccccc2)NNc2ccccc2)cc1 ZINC000245239552 569370355 /nfs/dbraw/zinc/37/03/55/569370355.db2.gz KIVQHQYEIKVWGY-AVIMUQFTSA-N 0 0 418.544 6.408 40 30 HKEBRN C=C[C@]1(OC(C)=O)CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H](CCC45OCCO5)[C@H]3CC[C@H]2C1 ZINC000245239570 519304642 /nfs/dbraw/zinc/30/46/42/519304642.db2.gz KOBCGCROWPFVMN-KIEAKMPYSA-N 0 0 402.575 5.260 40 30 HKEBRN CC(/C=C(\C)c1ccc(-c2ccccc2)cc1)=NNS(=O)(=O)c1ccc(C)cc1 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/nfs/dbraw/zinc/37/95/42/569379542.db2.gz UGSVNXDLUDWLDK-PBZNDTEZSA-N 0 0 419.594 5.951 40 30 HKEBRN Cc1cc2c(cc1/C=C1\SC(=Nc3ccccc3)N(C)C1=O)[C@@H](C)CC(C)(C)N2C ZINC000260572273 569379554 /nfs/dbraw/zinc/37/95/54/569379554.db2.gz UGSVNXDLUDWLDK-POSALZGESA-N 0 0 419.594 5.951 40 30 HKEBRN Cc1ccc(/N=C2/NC(=O)/C(=C/c3cc4c(cc3C)N(C)C(C)(C)C[C@H]4C)S2)cc1 ZINC000260572400 569379527 /nfs/dbraw/zinc/37/95/27/569379527.db2.gz VDYNNPOCJCAEGW-VYZAVGSRSA-N 0 0 419.594 5.917 40 30 HKEBRN CC/N=C1\S/C(=C\c2cc3c(cc2Cl)N(C)C(C)(C)C[C@H]3C)C(=O)N1CC ZINC000260572451 569379549 /nfs/dbraw/zinc/37/95/49/569379549.db2.gz VNULTEYDVUTAFA-FVHVMVHCSA-N 0 0 405.995 5.374 40 30 HKEBRN CC(C)N1c2ccc(/C=N/c3ccc(N4CCOCC4)cc3)cc2[C@H](C)CC1(C)C ZINC000260573518 569379515 /nfs/dbraw/zinc/37/95/15/569379515.db2.gz YXYIJIXCVVIHGF-QZCBGFPPSA-N 0 0 405.586 5.774 40 30 HKEBRN C=CCOc1ccc(NC(=S)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cc1 ZINC000260735416 569379657 /nfs/dbraw/zinc/37/96/57/569379657.db2.gz ICKRUUPECYXGKK-OALUTQOASA-N 0 0 409.599 5.535 40 30 HKEBRN C=CCOc1ccc(NC(=S)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cc1 ZINC000260735420 569379645 /nfs/dbraw/zinc/37/96/45/569379645.db2.gz ICKRUUPECYXGKK-RBUKOAKNSA-N 0 0 409.599 5.535 40 30 HKEBRN C=CCOc1cccc(NC(=S)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)c1 ZINC000260742593 569379710 /nfs/dbraw/zinc/37/97/10/569379710.db2.gz XPKFLTXTUKWCIA-OALUTQOASA-N 0 0 409.599 5.535 40 30 HKEBRN C=CCOc1cccc(NC(=S)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)c1 ZINC000260742601 569379741 /nfs/dbraw/zinc/37/97/41/569379741.db2.gz XPKFLTXTUKWCIA-RBUKOAKNSA-N 0 0 409.599 5.535 40 30 HKEBRN O=C(C=CNc1ccc(N=Nc2ccccc2)cc1)c1ccc(Br)cc1 ZINC000260840621 569380529 /nfs/dbraw/zinc/38/05/29/569380529.db2.gz NHMDIPUTCUGJRG-OZKVFTRCSA-N 0 0 406.283 6.673 40 30 HKEBRN O=C(C=CNc1ccc(N=Nc2ccccc2)cc1)c1ccc(-c2ccccc2)cc1 ZINC000260840639 569380532 /nfs/dbraw/zinc/38/05/32/569380532.db2.gz QCDMEYVYSGBGLN-FCVZXZOBSA-N 0 0 403.485 7.578 40 30 HKEBRN COc1cc([N+](=O)[O-])c(/C=N/[C@@H](C)Cc2c[nH]c3cc(Cl)c(F)cc23)cc1Cl ZINC000261507808 569380821 /nfs/dbraw/zinc/38/08/21/569380821.db2.gz MNEZFIZYWHHQAU-ABTNGYCASA-N 0 0 424.259 5.581 40 30 HKEBRN CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CSc3cccs3)sc2C1 ZINC000261526542 558844663 /nfs/dbraw/zinc/84/46/63/558844663.db2.gz AGHGXMAKODVMCB-CYBMUJFWSA-N 0 0 404.626 5.953 40 30 HKEBRN CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)CSc3cccs3)sc2C1 ZINC000261526543 558844678 /nfs/dbraw/zinc/84/46/78/558844678.db2.gz AGHGXMAKODVMCB-ZDUSSCGKSA-N 0 0 404.626 5.953 40 30 HKEBRN CCCc1ccc(C#N)c(S[C@H](CC)C(=O)Nc2sc3c(c2C#N)CCCC3)n1 ZINC000261526827 558844805 /nfs/dbraw/zinc/84/48/05/558844805.db2.gz MMHORZMPTABLEF-GOSISDBHSA-N 0 0 424.595 5.227 40 30 HKEBRN CCCc1ccc(C#N)c(S[C@@H](CC)C(=O)Nc2sc3c(c2C#N)CCCC3)n1 ZINC000261526828 558844798 /nfs/dbraw/zinc/84/47/98/558844798.db2.gz MMHORZMPTABLEF-SFHVURJKSA-N 0 0 424.595 5.227 40 30 HKEBRN N#Cc1c(NC(=O)CSc2cccs2)sc2c1CC[C@H](c1ccccc1)C2 ZINC000261526877 558844721 /nfs/dbraw/zinc/84/47/21/558844721.db2.gz NWCVTKXRUCECSE-HNNXBMFYSA-N 0 0 410.589 5.685 40 30 HKEBRN N#Cc1c(NC(=O)CSc2cccs2)sc2c1CC[C@@H](c1ccccc1)C2 ZINC000261526878 558844730 /nfs/dbraw/zinc/84/47/30/558844730.db2.gz NWCVTKXRUCECSE-OAHLLOKOSA-N 0 0 410.589 5.685 40 30 HKEBRN C#C[C@]1(OC(=O)CCCCCC)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C ZINC000263592866 569380813 /nfs/dbraw/zinc/38/08/13/569380813.db2.gz APTGJECXMIKIET-JOOMPNRTSA-N 0 0 410.598 6.014 40 30 HKEBRN C#C[C@]1(OC(=O)CCCCCC)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]21C ZINC000263592867 569380815 /nfs/dbraw/zinc/38/08/15/569380815.db2.gz APTGJECXMIKIET-JRJSASDPSA-N 0 0 410.598 6.014 40 30 HKEBRN C#C[C@]1(OC(=O)CCCCCC)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@@H]3CC[C@]21C ZINC000263592868 569380735 /nfs/dbraw/zinc/38/07/35/569380735.db2.gz APTGJECXMIKIET-OPLSODKJSA-N 0 0 410.598 6.014 40 30 HKEBRN C=C(C)[C@H](/C=C\[C@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C)CC ZINC000263599044 569380838 /nfs/dbraw/zinc/38/08/38/569380838.db2.gz IMWBKGMKWXIXEQ-KCPLWMBESA-N 0 0 410.686 7.721 40 30 HKEBRN C[C@]12CC[C@H]3[C@H](CCC4C(=O)C(=O)CC[C@H]43)[C@@H]1CC[C@H]2OC(=O)CCC1CCCC1 ZINC000263600698 569380788 /nfs/dbraw/zinc/38/07/88/569380788.db2.gz KHKDIUPVDIEHAH-CLVFFMBESA-N 0 0 414.586 5.896 40 30 HKEBRN C[C@]12CC[C@H]3[C@H](CCC4C(=O)C(=O)CC[C@H]43)[C@H]1CC[C@@H]2OC(=O)CCC1CCCC1 ZINC000263600699 569380789 /nfs/dbraw/zinc/38/07/89/569380789.db2.gz KHKDIUPVDIEHAH-PHAGSCHQSA-N 0 0 414.586 5.896 40 30 HKEBRN C[C@]12CC[C@H]3[C@H](CCC4C(=O)C(=O)CC[C@H]43)[C@H]1CC[C@H]2OC(=O)CCC1CCCC1 ZINC000263600700 569380755 /nfs/dbraw/zinc/38/07/55/569380755.db2.gz KHKDIUPVDIEHAH-YVVHDBJZSA-N 0 0 414.586 5.896 40 30 HKEBRN CCCCCC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]21C ZINC000263612089 569380886 /nfs/dbraw/zinc/38/08/86/569380886.db2.gz XURCMZMFZXXQDJ-HMUDODNISA-N 0 0 414.586 5.580 40 30 HKEBRN CCCCCC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@@H]3CC[C@]21C ZINC000263612090 569380867 /nfs/dbraw/zinc/38/08/67/569380867.db2.gz XURCMZMFZXXQDJ-KZPACXBASA-N 0 0 414.586 5.580 40 30 HKEBRN CCCCCC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C ZINC000263612091 569380912 /nfs/dbraw/zinc/38/09/12/569380912.db2.gz XURCMZMFZXXQDJ-QQINFNOISA-N 0 0 414.586 5.580 40 30 HKEBRN CN(N=Cc1ccccc1)P(=O)(Oc1ccccc1)N(C)N=Cc1ccccc1 ZINC000263621386 569380977 /nfs/dbraw/zinc/38/09/77/569380977.db2.gz FBIBOVOWNYKJSB-UHFFFAOYSA-N 0 0 406.426 5.105 40 30 HKEBRN CCCCCCCC[C@@H]1O[C@H]1CCCCCCCC(=O)OC[C@H](CC)CCCC ZINC000299803432 520048313 /nfs/dbraw/zinc/04/83/13/520048313.db2.gz PUYRISKXBBQECH-DSITVLBTSA-N 0 0 410.683 7.995 40 30 HKEBRN CCCCCCCC[C@@H]1O[C@@H]1CCCCCCCC(=O)OC[C@H](CC)CCCC ZINC000299803433 520047274 /nfs/dbraw/zinc/04/72/74/520047274.db2.gz PUYRISKXBBQECH-DSNGMDLFSA-N 0 0 410.683 7.995 40 30 HKEBRN CCCCCCOc1ccc(C=NN=Cc2ccc(OCCCCCC)cc2)cc1 ZINC000299888394 520105154 /nfs/dbraw/zinc/10/51/54/520105154.db2.gz HMWUYNPFJZLLSL-UHFFFAOYSA-N 0 0 408.586 7.058 40 30 HKEBRN COc1cc(-c2ccc(N=Cc3ccccc3)c(OC)c2)ccc1N=Cc1ccccc1 ZINC000299888481 569382448 /nfs/dbraw/zinc/38/24/48/569382448.db2.gz KYYSHXFJTBPOCB-UHFFFAOYSA-N 0 0 420.512 6.872 40 30 HKEBRN C=C1/C(=C/C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C\[C@@H](O)C2CC2)C[C@@H](O)C[C@@H]1O ZINC000299888496 558851421 /nfs/dbraw/zinc/85/14/21/558851421.db2.gz LWQQLNNNIPYSNX-CRTCDPGOSA-N 0 0 412.614 5.091 40 30 HKEBRN C=C1/C(=C/C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C/[C@@H](O)C2CC2)C[C@@H](O)C[C@@H]1O ZINC000299888497 569382445 /nfs/dbraw/zinc/38/24/45/569382445.db2.gz LWQQLNNNIPYSNX-HUXNOMKGSA-N 0 0 412.614 5.091 40 30 HKEBRN c1ccc(N=Nc2ccc(N=NC(N=Nc3ccccc3)c3ccccc3)cc2)cc1 ZINC000299888789 526481333 /nfs/dbraw/zinc/48/13/33/526481333.db2.gz XTIPSUJKQCQPBH-UHFFFAOYSA-N 0 0 404.477 7.660 40 30 HKEBRN CC(=O)Nc1ccc(Nc2cc(-c3cccnc3)nc(NC3CCCCC3)n2)cc1 ZINC000328983733 571306696 /nfs/dbraw/zinc/30/66/96/571306696.db2.gz HJLSPVBCTMQCNG-UHFFFAOYSA-N 0 0 402.502 5.635 40 30 HKEBRN CCCCCCCCCCCCCCCCO[P@@](C)(=O)OCCC(C)(C)C ZINC000329005278 520001748 /nfs/dbraw/zinc/00/17/48/520001748.db2.gz KXNVOTZYFAZFFE-HHHXNRCGSA-N 0 0 404.616 8.760 40 30 HKEBRN CCCCCCCCCCCCCCCCO[P@](C)(=O)OCCC(C)(C)C ZINC000329005282 569384578 /nfs/dbraw/zinc/38/45/78/569384578.db2.gz KXNVOTZYFAZFFE-MHZLTWQESA-N 0 0 404.616 8.760 40 30 HKEBRN CC(=O)Nc1ccc(Nc2cc(-c3ccncc3)nc(NC3CCCCC3)n2)cc1 ZINC000329014432 571306657 /nfs/dbraw/zinc/30/66/57/571306657.db2.gz MWTRDBYDGOMCGX-UHFFFAOYSA-N 0 0 402.502 5.635 40 30 HKEBRN CC(=O)Nc1ccc(Nc2cc(-c3ccccn3)nc(NC3CCCCC3)n2)cc1 ZINC000329020310 571306659 /nfs/dbraw/zinc/30/66/59/571306659.db2.gz OALYFHSPRYCLRE-UHFFFAOYSA-N 0 0 402.502 5.635 40 30 HKEBRN CC(=O)Nc1ccc(Nc2cc(-c3ccccc3)nc(NC3CCCCC3)n2)cc1 ZINC000329031719 569384681 /nfs/dbraw/zinc/38/46/81/569384681.db2.gz QKFNPMKWILMDIW-UHFFFAOYSA-N 0 0 401.514 6.240 40 30 HKEBRN CCCCCCCCCCCCCCCC(=O)OC[C@H](O)[C@H]1OCC(O)C1=O ZINC000390823002 571257972 /nfs/dbraw/zinc/25/79/72/571257972.db2.gz PNPVRZUUKLDYIN-SIKLNZKXSA-N 0 0 400.556 5.098 40 30 HKEBRN C=CCOc1ccccc1/C=C1\SC(=S)N(c2ccc(OC)c(Cl)c2)C1=O ZINC000408526212 558464470 /nfs/dbraw/zinc/46/44/70/558464470.db2.gz AAPIVHYSYPUJNQ-WQRHYEAKSA-N 0 0 417.939 5.319 40 30 HKEBRN C=CCOc1ccccc1/C=C1\SC(=O)N(Cc2ccc(Cl)c(Cl)c2)C1=O ZINC000408526325 558464488 /nfs/dbraw/zinc/46/44/88/558464488.db2.gz ASXRPCNPVJRTQK-WQRHYEAKSA-N 0 0 420.317 5.795 40 30 HKEBRN C=CCOc1ccccc1/C=C1/SC(=S)N(c2ccc(Cl)cc2Cl)C1=O ZINC000408526491 558464760 /nfs/dbraw/zinc/46/47/60/558464760.db2.gz BPYJOWMXIFKMCN-LICLKQGHSA-N 0 0 422.358 5.964 40 30 HKEBRN Cc1ccc(N=C2NC(=O)/C(=C/c3ccccc3OCc3ccccc3F)S2)cc1 ZINC000408526901 558464884 /nfs/dbraw/zinc/46/48/84/558464884.db2.gz ACHZHAKIGNCTOW-HMAPJEAMSA-N 0 0 418.493 5.605 40 30 HKEBRN CCOc1ccc(Br)cc1/C=C1\SC(=Nc2ccc(C)cc2)NC1=O ZINC000408526963 557288608 /nfs/dbraw/zinc/28/86/08/557288608.db2.gz AFUWDNATFAOXNP-BOPFTXTBSA-N 0 0 417.328 5.048 40 30 HKEBRN CCCOc1c(Cl)cc(/C=C2\SC(=Nc3ccc(C)cc3)NC2=O)cc1OC ZINC000408527099 558463221 /nfs/dbraw/zinc/46/32/21/558463221.db2.gz AOYVXIYPVZPUNL-PDGQHHTCSA-N 0 0 416.930 5.337 40 30 HKEBRN CCCOc1ccc2ccccc2c1/C=C1\SC(=Nc2ccc(C)cc2)NC1=O ZINC000408527183 558463402 /nfs/dbraw/zinc/46/34/02/558463402.db2.gz BFGHHOQXBVROHU-JCMHNJIXSA-N 0 0 402.519 5.829 40 30 HKEBRN C=CCOc1c(Cl)cc(/C=C2\SC(=Nc3ccc(C)cc3)NC2=O)cc1Cl ZINC000408527247 558463503 /nfs/dbraw/zinc/46/35/03/558463503.db2.gz BNYOQOQOFFOMPJ-BOPFTXTBSA-N 0 0 419.333 5.758 40 30 HKEBRN CCCOc1c(Cl)cc(/C=C2\SC(=Nc3ccccc3)NC2=O)cc1OC ZINC000408527342 558463396 /nfs/dbraw/zinc/46/33/96/558463396.db2.gz AENXPKOJNNCPNJ-ATVHPVEESA-N 0 0 402.903 5.029 40 30 HKEBRN O=C1NC(=Nc2ccccc2)S/C1=C\c1ccc(OCc2cccc(Cl)c2)cc1 ZINC000408527730 558463378 /nfs/dbraw/zinc/46/33/78/558463378.db2.gz BNLRSAGZTXXUHW-STZFKDTASA-N 0 0 420.921 5.811 40 30 HKEBRN C=CCOc1ccccc1/C=C1\SC(=O)N(Cc2c(F)cccc2Cl)C1=O ZINC000408527840 558464948 /nfs/dbraw/zinc/46/49/48/558464948.db2.gz FTAULMIBZJAKKS-WQRHYEAKSA-N 0 0 403.862 5.280 40 30 HKEBRN O=C1NC(=Nc2ccc(Cl)cc2)S/C1=C\c1ccccc1OCc1ccccc1 ZINC000408528017 558465272 /nfs/dbraw/zinc/46/52/72/558465272.db2.gz BYVXEEVRJKQVMV-STZFKDTASA-N 0 0 420.921 5.811 40 30 HKEBRN O=C1NC(=Nc2ccccc2)S/C1=C\c1cccc(OCc2cccc(F)c2)c1 ZINC000408528351 558465311 /nfs/dbraw/zinc/46/53/11/558465311.db2.gz DUYJXDHYWRSVCI-STZFKDTASA-N 0 0 404.466 5.296 40 30 HKEBRN O=C1NC(=Nc2ccccc2)S/C1=C\c1ccc(OCc2ccccc2)c(Cl)c1 ZINC000408528635 558465665 /nfs/dbraw/zinc/46/56/65/558465665.db2.gz DWVMKRWXKOWHHA-STZFKDTASA-N 0 0 420.921 5.811 40 30 HKEBRN CCOc1cc(/C=C2\SC(=Nc3ccccc3)NC2=O)cc(Cl)c1OCC ZINC000408528660 558465681 /nfs/dbraw/zinc/46/56/81/558465681.db2.gz DXWHQPPMOPVAFI-ATVHPVEESA-N 0 0 402.903 5.029 40 30 HKEBRN Cc1ccc(COc2ccccc2/C=C2\SC(=Nc3ccccc3)NC2=O)cc1 ZINC000408528747 558465663 /nfs/dbraw/zinc/46/56/63/558465663.db2.gz FGSJVVDBEBHGSC-JCMHNJIXSA-N 0 0 400.503 5.466 40 30 HKEBRN C=CCOc1c(/C=C2/SC(=S)N(c3ccc(C)cc3C)C2=O)cccc1OC ZINC000408528920 558465883 /nfs/dbraw/zinc/46/58/83/558465883.db2.gz HPEBMFNUDHCZFE-CPNJWEJPSA-N 0 0 411.548 5.283 40 30 HKEBRN CCOc1cc(/C=C2\SC(=Nc3ccc(Cl)cc3)NC2=O)cc(Cl)c1OC ZINC000408529304 558466038 /nfs/dbraw/zinc/46/60/38/558466038.db2.gz HCVUBDIZXSBPGQ-YBEGLDIGSA-N 0 0 423.321 5.292 40 30 HKEBRN CCOc1ccc(/C=C2\SC(=Nc3ccc(C)cc3)NC2=O)cc1Br ZINC000408529399 558466344 /nfs/dbraw/zinc/46/63/44/558466344.db2.gz HEDWGHDLFLNCMS-BOPFTXTBSA-N 0 0 417.328 5.048 40 30 HKEBRN Cc1ccc(N=C2NC(=O)/C(=C/c3cccc(OCc4ccc(F)cc4)c3)S2)cc1 ZINC000408529491 558466309 /nfs/dbraw/zinc/46/63/09/558466309.db2.gz HJMUGEGMPDYZPD-HMAPJEAMSA-N 0 0 418.493 5.605 40 30 HKEBRN C=CCOc1ccccc1/C=C1/SC(=S)N(c2cccc3ccccc32)C1=O ZINC000408529546 558466363 /nfs/dbraw/zinc/46/63/63/558466363.db2.gz IJYYXURXSLHITQ-RCCKNPSSSA-N 0 0 403.528 5.810 40 30 HKEBRN C=CCOc1c(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cccc1OC ZINC000408529560 558466354 /nfs/dbraw/zinc/46/63/54/558466354.db2.gz IKVUIIRLWWUQKS-SFQUDFHCSA-N 0 0 401.871 5.154 40 30 HKEBRN CCCOc1ccc(Cl)cc1/C=C1\SC(=Nc2ccc(Cl)cc2)NC1=O ZINC000408530118 558466557 /nfs/dbraw/zinc/46/65/57/558466557.db2.gz KTDVYLRWIJBISA-BOPFTXTBSA-N 0 0 407.322 5.674 40 30 HKEBRN C=CCOc1c(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cccc1OC ZINC000408530214 558464892 /nfs/dbraw/zinc/46/48/92/558464892.db2.gz JRFGQDDLQFAOAC-PDGQHHTCSA-N 0 0 415.898 5.150 40 30 HKEBRN C=CCOc1ccccc1/C=C1/SC(=S)N(c2cccc(C(F)(F)F)c2)C1=O ZINC000408530350 558464878 /nfs/dbraw/zinc/46/48/78/558464878.db2.gz KLWLMLDSDRFHBJ-GZTJUZNOSA-N 0 0 421.465 5.676 40 30 HKEBRN C=CCOc1c(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cccc1OC ZINC000408530416 558464936 /nfs/dbraw/zinc/46/49/36/558464936.db2.gz KXFNLBJKAMBYNN-GZTJUZNOSA-N 0 0 401.871 5.154 40 30 HKEBRN C=CCOc1ccc(C(=O)OCC(=O)c2ccc(-c3ccccc3)cc2)cc1OCC ZINC000408530460 558464981 /nfs/dbraw/zinc/46/49/81/558464981.db2.gz JLBBLDGOIIWXPM-UHFFFAOYSA-N 0 0 416.473 5.357 40 30 HKEBRN CCCOc1ccc(Br)cc1/C=C1\SC(=Nc2ccccc2)NC1=O ZINC000408530598 558465227 /nfs/dbraw/zinc/46/52/27/558465227.db2.gz MQYOZJFMZLFQLR-ATVHPVEESA-N 0 0 417.328 5.130 40 30 HKEBRN CCCOc1c(Cl)cc(/C=C2\SC(=Nc3ccccc3)NC2=O)cc1OCC ZINC000408530758 558471486 /nfs/dbraw/zinc/47/14/86/558471486.db2.gz NGQQXWSFJCDBPQ-AQTBWJFISA-N 0 0 416.930 5.419 40 30 HKEBRN C=CCOc1ccc(Cl)cc1/C=C1\SC(=Nc2ccc(Cl)cc2)NC1=O ZINC000408531062 558471498 /nfs/dbraw/zinc/47/14/98/558471498.db2.gz NUZOMXPMRPVCDA-BOPFTXTBSA-N 0 0 405.306 5.450 40 30 HKEBRN CCOc1ccc(/C=C2\SC(=Nc3ccc(Cl)cc3)NC2=O)cc1OCC ZINC000408531143 558471464 /nfs/dbraw/zinc/47/14/64/558471464.db2.gz OMZNJXNMYHXQIN-PDGQHHTCSA-N 0 0 402.903 5.029 40 30 HKEBRN CCCCOc1ccc(Cl)cc1C1C2=C(CCCC2=O)N(C)C2=C1C(=O)CCC2 ZINC000408531197 558471460 /nfs/dbraw/zinc/47/14/60/558471460.db2.gz LFKLPJCZGJQCMY-UHFFFAOYSA-N 0 0 413.945 5.562 40 30 HKEBRN CC(C)Oc1ccc2ccccc2c1/C=C1\SC(=Nc2ccc(Cl)cc2)NC1=O ZINC000408531397 558471654 /nfs/dbraw/zinc/47/16/54/558471654.db2.gz PTJJTIRARHDMQU-BKUYFWCQSA-N 0 0 422.937 6.172 40 30 HKEBRN O=C1NC(=Nc2ccc(Cl)cc2)S/C1=C\c1ccc(OCc2ccccc2)cc1 ZINC000408531799 558472699 /nfs/dbraw/zinc/47/26/99/558472699.db2.gz RFMBGPITSGAIIW-STZFKDTASA-N 0 0 420.921 5.811 40 30 HKEBRN C=CCOc1ccc(/C=C2\SC(=Nc3ccc(Cl)cc3)NC2=O)cc1OCC ZINC000408531806 558472702 /nfs/dbraw/zinc/47/27/02/558472702.db2.gz RIHVSBHNHDGFRJ-UYRXBGFRSA-N 0 0 414.914 5.195 40 30 HKEBRN C=CCOc1c(Cl)cc(/C=C2\SC(=Nc3ccc(C)cc3)NC2=O)cc1OC ZINC000408531865 558474072 /nfs/dbraw/zinc/47/40/72/558474072.db2.gz MOVMMZRPYTYXQN-PDGQHHTCSA-N 0 0 414.914 5.113 40 30 HKEBRN CCCOc1ccc(/C=C2\SC(=Nc3ccccc3)NC2=O)cc1Br ZINC000408532008 558474485 /nfs/dbraw/zinc/47/44/85/558474485.db2.gz RYBUGBSQLQUZHZ-ATVHPVEESA-N 0 0 417.328 5.130 40 30 HKEBRN Cc1ccc(COc2cccc(/C=C3\SC(=Nc4ccccc4)NC3=O)c2)cc1 ZINC000408532240 558466521 /nfs/dbraw/zinc/46/65/21/558466521.db2.gz SXFPYNUUWGHDIK-JCMHNJIXSA-N 0 0 400.503 5.466 40 30 HKEBRN O=C1NC(=Nc2ccccc2)S/C1=C\c1ccccc1OCc1cccc(F)c1 ZINC000408532242 558466739 /nfs/dbraw/zinc/46/67/39/558466739.db2.gz SXLZDYOWUPLOJA-STZFKDTASA-N 0 0 404.466 5.296 40 30 HKEBRN C=CCOc1ccccc1/C=C1\SC(=O)N(Cc2c(Cl)cccc2Cl)C1=O ZINC000408532363 558466752 /nfs/dbraw/zinc/46/67/52/558466752.db2.gz ODFHBQHURFJVME-WQRHYEAKSA-N 0 0 420.317 5.795 40 30 HKEBRN C=CCOc1ccccc1/C=C1\SC(=O)N(Cc2ccc(Cl)cc2Cl)C1=O ZINC000408532412 558466735 /nfs/dbraw/zinc/46/67/35/558466735.db2.gz OGTCMOBDPSHJMA-ZDLGFXPLSA-N 0 0 420.317 5.795 40 30 HKEBRN COc1ccc(/C=C2\SC(=Nc3ccc(Cl)cc3)NC2=O)cc1Br ZINC000408532755 558466777 /nfs/dbraw/zinc/46/67/77/558466777.db2.gz VQCMQGIHVHSEJI-DHDCSXOGSA-N 0 0 423.719 5.003 40 30 HKEBRN CCOc1cc(/C=C2\SC(=Nc3ccc(C)cc3)NC2=O)cc(Cl)c1OCC ZINC000408532868 558469550 /nfs/dbraw/zinc/46/95/50/558469550.db2.gz PNVQZCLYEIRDPR-PDGQHHTCSA-N 0 0 416.930 5.337 40 30 HKEBRN CCOc1ccc2ccccc2c1/C=C1\SC(=Nc2ccc(Cl)cc2)NC1=O ZINC000408532894 558470327 /nfs/dbraw/zinc/47/03/27/558470327.db2.gz WPTAMZBNHKCUAX-MOSHPQCFSA-N 0 0 408.910 5.784 40 30 HKEBRN C=CCOc1ccc2ccccc2c1/C=C1\SC(=Nc2ccc(C)cc2)NC1=O ZINC000408533136 558475585 /nfs/dbraw/zinc/47/55/85/558475585.db2.gz PVZVDVWNUICWEP-JCMHNJIXSA-N 0 0 400.503 5.605 40 30 HKEBRN O=C1NC(=Nc2ccccc2)S/C1=C\c1cccc(OCc2cccc(Cl)c2)c1 ZINC000408533167 558475581 /nfs/dbraw/zinc/47/55/81/558475581.db2.gz XJVJYMZWVRDIND-STZFKDTASA-N 0 0 420.921 5.811 40 30 HKEBRN C=CCOc1ccccc1/C=C1\SC(=O)N(Cc2ccc(F)cc2Cl)C1=O ZINC000408533264 558475639 /nfs/dbraw/zinc/47/56/39/558475639.db2.gz QDVFKYMQRRMIKK-ZDLGFXPLSA-N 0 0 403.862 5.280 40 30 HKEBRN Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(OCc4cccc(F)c4)cc3)S2)cc1 ZINC000408533383 558475623 /nfs/dbraw/zinc/47/56/23/558475623.db2.gz QSMSWUVOOGQDNV-HMAPJEAMSA-N 0 0 418.493 5.605 40 30 HKEBRN Cc1ccc(N=C2NC(=O)/C(=C/c3ccccc3OCc3ccccc3)S2)cc1 ZINC000408533418 558475602 /nfs/dbraw/zinc/47/56/02/558475602.db2.gz QWBLLARIUAMXEY-JCMHNJIXSA-N 0 0 400.503 5.466 40 30 HKEBRN C=CCOc1c(Cl)cc(/C=C2\SC(=Nc3ccccc3)NC2=O)cc1OCC ZINC000408533448 558475534 /nfs/dbraw/zinc/47/55/34/558475534.db2.gz YQYWIHZWMWHVQC-AQTBWJFISA-N 0 0 414.914 5.195 40 30 HKEBRN CCCOc1c(Cl)cc(/C=C2\SC(=Nc3ccccc3)NC2=O)cc1Cl ZINC000408533453 558475629 /nfs/dbraw/zinc/47/56/29/558475629.db2.gz YSSQPYRIKHATNB-WJDWOHSUSA-N 0 0 407.322 5.674 40 30 HKEBRN Cc1ccc(COc2cccc(/C=C3\SC(=Nc4ccc(C)cc4)NC3=O)c2)cc1 ZINC000408533839 558475737 /nfs/dbraw/zinc/47/57/37/558475737.db2.gz SKVHOJZEPQLZPF-HAHDFKILSA-N 0 0 414.530 5.774 40 30 HKEBRN Cc1ccc(N=C2NC(=O)/C(=C/c3ccccc3OCc3ccc(F)cc3)S2)cc1 ZINC000408533869 558476009 /nfs/dbraw/zinc/47/60/09/558476009.db2.gz SQXMIRWPHPFEGB-HMAPJEAMSA-N 0 0 418.493 5.605 40 30 HKEBRN Cc1ccc(N=C2NC(=O)/C(=C/c3ccccc3OCc3cccc(F)c3)S2)cc1 ZINC000408534181 558475997 /nfs/dbraw/zinc/47/59/97/558475997.db2.gz TYBSTCYUAMGBCE-HMAPJEAMSA-N 0 0 418.493 5.605 40 30 HKEBRN Cc1ccc(COc2ccccc2/C=C2\SC(=Nc3ccc(C)cc3)NC2=O)cc1 ZINC000408534684 558476250 /nfs/dbraw/zinc/47/62/50/558476250.db2.gz WATYSIDDHGDVDU-HAHDFKILSA-N 0 0 414.530 5.774 40 30 HKEBRN C#CCOc1c(Cl)cc(/C=C2\SC(=Nc3ccc(C)cc3)NC2=O)cc1Cl ZINC000408535445 558476844 /nfs/dbraw/zinc/47/68/44/558476844.db2.gz YXGCZRPDAZHEQI-BOPFTXTBSA-N 0 0 417.317 5.205 40 30 HKEBRN C=CCOc1c(/C=C2\SC(=O)N(Cc3ccccc3Cl)C2=O)cccc1OC ZINC000408535819 558477503 /nfs/dbraw/zinc/47/75/03/558477503.db2.gz WXNCLYALPOIPES-PDGQHHTCSA-N 0 0 415.898 5.150 40 30 HKEBRN C=CCOc1c(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)cccc1OC ZINC000408535860 558477446 /nfs/dbraw/zinc/47/74/46/558477446.db2.gz XOFGTPJIZSANQY-SFQUDFHCSA-N 0 0 417.939 5.319 40 30 HKEBRN C=CCOc1c(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)cccc1OC ZINC000408536066 558477483 /nfs/dbraw/zinc/47/74/83/558477483.db2.gz XRRSKCGJQKBXGZ-GZTJUZNOSA-N 0 0 417.939 5.319 40 30 HKEBRN C=CCOc1ccccc1/C=C1\SC(=S)N(c2ccc(F)c(Cl)c2)C1=O ZINC000408536235 558477372 /nfs/dbraw/zinc/47/73/72/558477372.db2.gz YVDHYVFPYSGXSH-YVLHZVERSA-N 0 0 405.903 5.450 40 30 HKEBRN C=CCOc1ccccc1/C=C1/SC(=S)N(c2ccc(Cl)c(Cl)c2)C1=O ZINC000408536445 558477602 /nfs/dbraw/zinc/47/76/02/558477602.db2.gz ZNJLDGUTKNSPTC-LICLKQGHSA-N 0 0 422.358 5.964 40 30 HKEBRN C=CCOc1c(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)cccc1OC ZINC000408536491 558477687 /nfs/dbraw/zinc/47/76/87/558477687.db2.gz ZUEMODIAIPZWDA-UYRXBGFRSA-N 0 0 411.548 5.283 40 30 HKEBRN COc1cc(C#N)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000408537391 558482321 /nfs/dbraw/zinc/48/23/21/558482321.db2.gz DKUXBBGWQZLBRP-UHFFFAOYSA-N 0 0 417.137 5.049 40 30 HKEBRN N#Cc1cc(Br)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408537577 558482495 /nfs/dbraw/zinc/48/24/95/558482495.db2.gz FUFKRKSUOUINBS-UHFFFAOYSA-N 0 0 401.485 5.316 40 30 HKEBRN CCCCCCOc1ccc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc1OC ZINC000408538849 558478147 /nfs/dbraw/zinc/47/81/47/558478147.db2.gz CLSZCBIRLQJSAX-UHFFFAOYSA-N 0 0 424.537 5.782 40 30 HKEBRN CCCCCCOc1ccc(/C=C2/SC(=Nc3ccc(Cl)cc3)NC2=O)cc1 ZINC000408538890 558478220 /nfs/dbraw/zinc/47/82/20/558478220.db2.gz CYVMEQMAESWHKB-HMMYKYKNSA-N 0 0 414.958 6.191 40 30 HKEBRN N#Cc1cc(Br)c(OCc2cccc3ccccc32)c(Br)c1 ZINC000408538970 558478175 /nfs/dbraw/zinc/47/81/75/558478175.db2.gz SEWNMYTWVVZOJF-UHFFFAOYSA-N 0 0 417.100 5.815 40 30 HKEBRN CCCCCCCCOc1ccc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)cc1 ZINC000408539028 558478226 /nfs/dbraw/zinc/47/82/26/558478226.db2.gz DQHRXSSCTSBZAQ-UHFFFAOYSA-N 0 0 421.581 6.127 40 30 HKEBRN CCOc1cc(COc2ccc(/C=N\O)cc2OC)ccc1OCc1ccccc1 ZINC000408539283 557359827 /nfs/dbraw/zinc/35/98/27/557359827.db2.gz GMVSMCNKCJBLOH-MYYYXRDXSA-N 0 0 407.466 5.060 40 30 HKEBRN CCCCCCCCOc1c(Br)cc(/C=N\O)cc1Br ZINC000408539407 558487887 /nfs/dbraw/zinc/48/78/87/558487887.db2.gz HEKDNZKEQGPVGL-WQRHYEAKSA-N 0 0 407.146 5.759 40 30 HKEBRN CCCCCCCCOc1c(Cl)cc(C=C2SC(=S)NC2=O)cc1OC ZINC000408539810 558488158 /nfs/dbraw/zinc/48/81/58/558488158.db2.gz JVDIJFMHSOGLNF-FOWTUZBSSA-N 0 0 413.992 5.577 40 30 HKEBRN CCOc1cc(/C=N\O)ccc1OCc1ccc(OCc2ccccc2)c(OCC)c1 ZINC000408540092 558488419 /nfs/dbraw/zinc/48/84/19/558488419.db2.gz MZGMWBMUXMSHNJ-QQXSKIMKSA-N 0 0 421.493 5.450 40 30 HKEBRN CCCCCCOc1ccc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)cc1OC ZINC000408540476 558488953 /nfs/dbraw/zinc/48/89/53/558488953.db2.gz SGULGHQVJCDLAY-CJLVFECKSA-N 0 0 424.566 5.854 40 30 HKEBRN COC(=O)c1cccc(Cn2cc(/C=N/c3ccc(F)c(Cl)c3)c3ccccc32)c1 ZINC000408540714 558484062 /nfs/dbraw/zinc/48/40/62/558484062.db2.gz BDJBMJUBWHGXEY-UVHMKAGCSA-N 0 0 420.871 6.019 40 30 HKEBRN COC(=O)c1cccc(Cn2cc(/C=N\c3ccccc3Cl)c3ccccc32)c1 ZINC000408540878 558484089 /nfs/dbraw/zinc/48/40/89/558484089.db2.gz CHGQQXOWLVDRDP-WGARJPEWSA-N 0 0 402.881 5.880 40 30 HKEBRN COC(=O)c1cccc(Cn2cc(/C=N/c3cccc(Cl)c3C)c3ccccc32)c1 ZINC000408541110 558484346 /nfs/dbraw/zinc/48/43/46/558484346.db2.gz BNQDXKILBRJUKD-MZJWZYIUSA-N 0 0 416.908 6.189 40 30 HKEBRN COC(=O)c1cccc(Cn2cc(/C=N/c3ccc(F)cc3F)c3ccccc32)c1 ZINC000408541362 558484559 /nfs/dbraw/zinc/48/45/59/558484559.db2.gz CKTAISIFCRCBMT-UVHMKAGCSA-N 0 0 404.416 5.505 40 30 HKEBRN CCCCCCOc1ccc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)cc1OC ZINC000408541394 558484515 /nfs/dbraw/zinc/48/45/15/558484515.db2.gz ZJCTXMGCRMWSNM-UHFFFAOYSA-N 0 0 423.553 5.355 40 30 HKEBRN COC(=O)c1cccc(Cn2cc(/C=N\c3ccc(C(C)(C)C)cc3)c3ccccc32)c1 ZINC000408541467 558484710 /nfs/dbraw/zinc/48/47/10/558484710.db2.gz GKBHDSMTZYZPPF-RHANQZHGSA-N 0 0 424.544 6.524 40 30 HKEBRN COC(=O)c1cccc(Cn2cc(/C=N/c3cccc4ccccc43)c3ccccc32)c1 ZINC000408541476 558484718 /nfs/dbraw/zinc/48/47/18/558484718.db2.gz CUPIKKFVUIRVIN-STBIYBPSSA-N 0 0 418.496 6.380 40 30 HKEBRN CCCCCCOc1ccc(/C=C2/SC(=Nc3ccccc3)NC2=O)cc1OCC ZINC000408541753 558485339 /nfs/dbraw/zinc/48/53/39/558485339.db2.gz HMKQHIFZDWUEFS-OQKWZONESA-N 0 0 424.566 5.936 40 30 HKEBRN COC(=O)c1cccc(Cn2cc(/C=N/c3ccc(C)c(Cl)c3)c3ccccc32)c1 ZINC000408541825 558485516 /nfs/dbraw/zinc/48/55/16/558485516.db2.gz HWETVFCKEZVADD-MZJWZYIUSA-N 0 0 416.908 6.189 40 30 HKEBRN COC(=O)c1cccc(Cn2cc(/C=N\c3ccc(Cl)cc3O)c3ccccc32)c1 ZINC000408541831 558485506 /nfs/dbraw/zinc/48/55/06/558485506.db2.gz GCHKNVHJQGNDHC-ZMFRSBBQSA-N 0 0 418.880 5.586 40 30 HKEBRN COC(=O)c1cccc(Cn2cc(/C=N\c3cccc([N+](=O)[O-])c3)c3ccccc32)c1 ZINC000408541996 558486363 /nfs/dbraw/zinc/48/63/63/558486363.db2.gz ITXWPROONBQRGJ-QFEZKATASA-N 0 0 413.433 5.135 40 30 HKEBRN CC[C@H](C)c1ccc(/N=C/c2cn(Cc3cccc(C(=O)OC)c3)c3ccccc23)cc1 ZINC000408542013 558486398 /nfs/dbraw/zinc/48/63/98/558486398.db2.gz JANCEYDSNRFJFE-CGKHLXHRSA-N 0 0 424.544 6.740 40 30 HKEBRN CC[C@@H](C)c1ccc(/N=C/c2cn(Cc3cccc(C(=O)OC)c3)c3ccccc23)cc1 ZINC000408542014 558486405 /nfs/dbraw/zinc/48/64/05/558486405.db2.gz JANCEYDSNRFJFE-IIELIFRRSA-N 0 0 424.544 6.740 40 30 HKEBRN COC(=O)c1cccc(Cn2cc(/C=N\c3ccc(N(C)C)cc3)c3ccccc32)c1 ZINC000408542038 558486389 /nfs/dbraw/zinc/48/63/89/558486389.db2.gz JIXILBZIGNUMPJ-YUMHPJSZSA-N 0 0 411.505 5.293 40 30 HKEBRN COC(=O)c1cccc(Cn2cc(C=Nc3ccc(C(C)=O)cc3)c3ccccc32)c1 ZINC000408542251 558487516 /nfs/dbraw/zinc/48/75/16/558487516.db2.gz ILHQPXQEMKFHOM-JFLMPSFJSA-N 0 0 410.473 5.429 40 30 HKEBRN CCCCCCOc1ccc(Cl)cc1/C=C1/SC(=Nc2ccccc2)NC1=O ZINC000408542302 557360213 /nfs/dbraw/zinc/36/02/13/557360213.db2.gz KLIRFJZWFCTQCD-HMMYKYKNSA-N 0 0 414.958 6.191 40 30 HKEBRN COC(=O)c1cccc(Cn2cc(/C=N/c3cccc(Cl)c3)c3ccccc32)c1 ZINC000408542648 558487619 /nfs/dbraw/zinc/48/76/19/558487619.db2.gz MURGJCHYQZKNSP-VULFUBBASA-N 0 0 402.881 5.880 40 30 HKEBRN CCOc1ccccc1/N=C\c1cn(Cc2cccc(C(=O)OC)c2)c2ccccc12 ZINC000408542779 558487876 /nfs/dbraw/zinc/48/78/76/558487876.db2.gz LBUDYQUXBUHCIL-YUMHPJSZSA-N 0 0 412.489 5.626 40 30 HKEBRN COC(=O)c1cccc(Cn2cc(/C=N/c3cc(Cl)ccc3C)c3ccccc32)c1 ZINC000408543198 558490261 /nfs/dbraw/zinc/49/02/61/558490261.db2.gz NJVXSKBYGOXJCD-MZJWZYIUSA-N 0 0 416.908 6.189 40 30 HKEBRN COC(=O)c1cccc(Cn2cc(/C=N\c3ccc([N+](=O)[O-])cc3)c3ccccc32)c1 ZINC000408543237 558490267 /nfs/dbraw/zinc/49/02/67/558490267.db2.gz ODBCDQBKOJXODC-QFEZKATASA-N 0 0 413.433 5.135 40 30 HKEBRN COC(=O)c1cccc(Cn2cc(/C=N/c3ccc(F)c(C)c3)c3ccccc32)c1 ZINC000408543291 558490437 /nfs/dbraw/zinc/49/04/37/558490437.db2.gz QAEQUMYHPMCGJW-MZJWZYIUSA-N 0 0 400.453 5.674 40 30 HKEBRN CCCCc1ccc(/N=C/c2cn(Cc3cccc(C(=O)OC)c3)c3ccccc23)cc1 ZINC000408543730 558491130 /nfs/dbraw/zinc/49/11/30/558491130.db2.gz SODFPKXFAGRLNG-RDRPBHBLSA-N 0 0 424.544 6.569 40 30 HKEBRN COC(=O)c1cccc(Cn2cc(/C=N/c3ccccc3SC)c3ccccc32)c1 ZINC000408543990 558491369 /nfs/dbraw/zinc/49/13/69/558491369.db2.gz RGGVJRXIYDJLCP-CVKSISIWSA-N 0 0 414.530 5.949 40 30 HKEBRN COC(=O)c1cccc(Cn2cc(/C=N/c3ccc(C(C)C)cc3)c3ccccc32)c1 ZINC000408544004 558491371 /nfs/dbraw/zinc/49/13/71/558491371.db2.gz UGZQBBYQWODGIX-LQKURTRISA-N 0 0 410.517 6.350 40 30 HKEBRN COC(=O)c1cccc(Cn2cc(/C=N\c3ccc(Cl)cc3)c3ccccc32)c1 ZINC000408544126 558491511 /nfs/dbraw/zinc/49/15/11/558491511.db2.gz UWHPFKDBALKXST-WGARJPEWSA-N 0 0 402.881 5.880 40 30 HKEBRN CCCCCCOc1ccc(/C=C2/SC(=Nc3ccccc3)NC2=O)cc1OC ZINC000408544131 558491514 /nfs/dbraw/zinc/49/15/14/558491514.db2.gz UYLDPXHZSBAKGI-LTGZKZEYSA-N 0 0 410.539 5.546 40 30 HKEBRN COC(=O)c1cccc(Cn2cc(/C=N\c3ccc4ccccc4c3)c3ccccc32)c1 ZINC000408544425 558491832 /nfs/dbraw/zinc/49/18/32/558491832.db2.gz SZHFOKPWOXKCCS-RHANQZHGSA-N 0 0 418.496 6.380 40 30 HKEBRN C=CCc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])cc(OC)c1OCc1ccccc1 ZINC000408545457 558489898 /nfs/dbraw/zinc/48/98/98/558489898.db2.gz YXQZVAQXPJJPJU-VAWYXSNFSA-N 0 0 406.438 5.378 40 30 HKEBRN CCN(CC(=O)Nc1oc(-c2ccccc2)c(-c2ccccc2)c1C#N)c1ccccc1 ZINC000408547570 558498579 /nfs/dbraw/zinc/49/85/79/558498579.db2.gz ZAVJTEZNXDUQKR-UHFFFAOYSA-N 0 0 421.500 5.950 40 30 HKEBRN COc1cc(C)c(/C=C2\SC(=Nc3cccc(Cl)c3Cl)NC2=O)cc1OC ZINC000408548923 558494164 /nfs/dbraw/zinc/49/41/64/558494164.db2.gz NMJVJOVEJGDCLL-SXGWCWSVSA-N 0 0 423.321 5.211 40 30 HKEBRN COc1cc(C)c(/C=N/c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)cc1OC ZINC000408548951 558494110 /nfs/dbraw/zinc/49/41/10/558494110.db2.gz OBQGTUOWEKZTSW-OEAKJJBVSA-N 0 0 408.479 5.822 40 30 HKEBRN COc1cc(C)c(/C=C2\SC(=Nc3ccc(Cl)c(Cl)c3)NC2=O)cc1OC ZINC000408549628 557396737 /nfs/dbraw/zinc/39/67/37/557396737.db2.gz VXRLSWUHIVIZRY-IUXPMGMMSA-N 0 0 423.321 5.211 40 30 HKEBRN Cc1cc(Br)ccc1/N=C\c1ccccc1I ZINC000408549873 558495868 /nfs/dbraw/zinc/49/58/68/558495868.db2.gz AQOFKXOYXJQNGV-MFOYZWKCSA-N 0 0 400.057 5.113 40 30 HKEBRN Cc1ccccc1Oc1ccc(/N=C/c2ccccc2I)cc1 ZINC000408549955 558495901 /nfs/dbraw/zinc/49/59/01/558495901.db2.gz CBZQICHRAQGXMV-HYARGMPZSA-N 0 0 413.258 6.143 40 30 HKEBRN Cc1ccc(/N=C\c2ccccc2I)c(Br)c1 ZINC000408550813 558499390 /nfs/dbraw/zinc/49/93/90/558499390.db2.gz KBXRPCMSKIIEKL-MFOYZWKCSA-N 0 0 400.057 5.113 40 30 HKEBRN Cc1cc(/N=C/c2ccccc2I)ccc1Br ZINC000408550961 557417781 /nfs/dbraw/zinc/41/77/81/557417781.db2.gz LALZLZNTHNLTSL-RQZCQDPDSA-N 0 0 400.057 5.113 40 30 HKEBRN Clc1cc(/N=C/c2ccccc2I)ccc1Br ZINC000408551709 558499674 /nfs/dbraw/zinc/49/96/74/558499674.db2.gz PEABFDSNQXBLKS-CAOOACKPSA-N 0 0 420.475 5.458 40 30 HKEBRN Cc1ccc(Oc2ccc(/N=C/c3ccccc3I)cc2)cc1 ZINC000408552406 557440869 /nfs/dbraw/zinc/44/08/69/557440869.db2.gz SXDSGJCJHLYMLQ-HYARGMPZSA-N 0 0 413.258 6.143 40 30 HKEBRN C=CCOc1c(Cl)cc([C@H]2SCC(=O)N2c2ccc(Cl)cc2)cc1Cl ZINC000408554360 558500232 /nfs/dbraw/zinc/50/02/32/558500232.db2.gz CNTJVSAUOKNORY-GOSISDBHSA-N 0 0 414.741 5.990 40 30 HKEBRN C=CCOc1c(Cl)cc([C@@H]2SCC(=O)N2c2ccc(Cl)cc2)cc1Cl ZINC000408554366 558500432 /nfs/dbraw/zinc/50/04/32/558500432.db2.gz CNTJVSAUOKNORY-SFHVURJKSA-N 0 0 414.741 5.990 40 30 HKEBRN C#CCOc1ccc2ccccc2c1CNc1ccc(Br)c(Cl)c1 ZINC000408555586 557450821 /nfs/dbraw/zinc/45/08/21/557450821.db2.gz GLLIIPDQCRBBSH-UHFFFAOYSA-N 0 0 400.703 5.880 40 30 HKEBRN C=CCOc1c(Cl)cc([C@@H]2SCC(=O)N2c2ccc(Cl)cc2)cc1OC ZINC000408555678 558502528 /nfs/dbraw/zinc/50/25/28/558502528.db2.gz HDGSXDCTXSHZPX-IBGZPJMESA-N 0 0 410.322 5.345 40 30 HKEBRN C=CCOc1c(Cl)cc([C@H]2SCC(=O)N2c2ccc(Cl)cc2)cc1OC ZINC000408555681 558502578 /nfs/dbraw/zinc/50/25/78/558502578.db2.gz HDGSXDCTXSHZPX-LJQANCHMSA-N 0 0 410.322 5.345 40 30 HKEBRN C=CCOc1c(Cl)cc(CNc2ccc(Br)c(Cl)c2)cc1OC ZINC000408555690 558502470 /nfs/dbraw/zinc/50/24/70/558502470.db2.gz HFKHWNJHVLJTKL-UHFFFAOYSA-N 0 0 417.130 5.941 40 30 HKEBRN C#CCOc1c(Cl)cc([C@@H]2SCC(=O)N2c2ccc(Cl)cc2)cc1OCC ZINC000408556891 557453538 /nfs/dbraw/zinc/45/35/38/557453538.db2.gz KSGVDJISQMBKTQ-FQEVSTJZSA-N 0 0 422.333 5.183 40 30 HKEBRN C#CCOc1c(Cl)cc([C@H]2SCC(=O)N2c2ccc(Cl)cc2)cc1OCC ZINC000408556892 557453582 /nfs/dbraw/zinc/45/35/82/557453582.db2.gz KSGVDJISQMBKTQ-HXUWFJFHSA-N 0 0 422.333 5.183 40 30 HKEBRN C=CCOc1c(Cl)cc([C@@H]2SCC(=O)N2c2ccc(Cl)cc2)cc1OCC ZINC000408556921 557453586 /nfs/dbraw/zinc/45/35/86/557453586.db2.gz KWXSJNYEWKGEBP-FQEVSTJZSA-N 0 0 424.349 5.736 40 30 HKEBRN C=CCOc1c(Cl)cc([C@H]2SCC(=O)N2c2ccc(Cl)cc2)cc1OCC ZINC000408556922 558502720 /nfs/dbraw/zinc/50/27/20/558502720.db2.gz KWXSJNYEWKGEBP-HXUWFJFHSA-N 0 0 424.349 5.736 40 30 HKEBRN C=CCOc1ccc(Br)cc1[C@H]1SCC(=O)N1c1ccc(Cl)cc1 ZINC000408557419 558502929 /nfs/dbraw/zinc/50/29/29/558502929.db2.gz NHJAICCKWHSUDW-GOSISDBHSA-N 0 0 424.747 5.446 40 30 HKEBRN C=CCOc1ccc(Br)cc1[C@@H]1SCC(=O)N1c1ccc(Cl)cc1 ZINC000408557420 558503058 /nfs/dbraw/zinc/50/30/58/558503058.db2.gz NHJAICCKWHSUDW-SFHVURJKSA-N 0 0 424.747 5.446 40 30 HKEBRN C=CCOc1c(Cl)cc(CNc2ccc(Br)c(Cl)c2)cc1Cl ZINC000408557677 558503061 /nfs/dbraw/zinc/50/30/61/558503061.db2.gz OFMARGLLYCZEQX-UHFFFAOYSA-N 0 0 421.549 6.586 40 30 HKEBRN C#CCOc1c(Cl)cc([C@H]2SCC(=O)N2c2ccc(Cl)cc2)cc1Cl ZINC000408557889 558503177 /nfs/dbraw/zinc/50/31/77/558503177.db2.gz PHWGNXXRYBUZML-GOSISDBHSA-N 0 0 412.725 5.437 40 30 HKEBRN C#CCOc1c(Cl)cc([C@@H]2SCC(=O)N2c2ccc(Cl)cc2)cc1Cl ZINC000408557895 557454767 /nfs/dbraw/zinc/45/47/67/557454767.db2.gz PHWGNXXRYBUZML-SFHVURJKSA-N 0 0 412.725 5.437 40 30 HKEBRN C=CCOc1ccc([C@H]2SCC(=O)N2c2ccc(Cl)cc2)cc1Br ZINC000408557906 558503181 /nfs/dbraw/zinc/50/31/81/558503181.db2.gz PJAOQIDKYQXMCP-GOSISDBHSA-N 0 0 424.747 5.446 40 30 HKEBRN C=CCOc1ccc([C@@H]2SCC(=O)N2c2ccc(Cl)cc2)cc1Br ZINC000408557907 558503226 /nfs/dbraw/zinc/50/32/26/558503226.db2.gz PJAOQIDKYQXMCP-SFHVURJKSA-N 0 0 424.747 5.446 40 30 HKEBRN C=CCOc1ccc(C(=O)Nc2ccc(Oc3ccccc3OC)cc2)cc1OCC ZINC000408557954 558503247 /nfs/dbraw/zinc/50/32/47/558503247.db2.gz QXQDLLCOEJHVLM-UHFFFAOYSA-N 0 0 419.477 5.703 40 30 HKEBRN C#CCOc1c(Cl)cc(CNc2ccc(Br)c(Cl)c2)cc1OC ZINC000408558091 558503287 /nfs/dbraw/zinc/50/32/87/558503287.db2.gz PRHUIHPVZOJKSK-UHFFFAOYSA-N 0 0 415.114 5.389 40 30 HKEBRN C#CCOc1c(Cl)cc(CNc2ccc(Br)c(Cl)c2)cc1Cl ZINC000408558231 558503213 /nfs/dbraw/zinc/50/32/13/558503213.db2.gz QMXKCBXKLCHCRT-UHFFFAOYSA-N 0 0 419.533 6.033 40 30 HKEBRN C=CCn1c(CCCCCCC)nnc1SCC(=O)Nc1ccc(C)cc1C ZINC000408560079 557457653 /nfs/dbraw/zinc/45/76/53/557457653.db2.gz AGHOKHTZNPNHEW-UHFFFAOYSA-N 0 0 400.592 5.325 40 30 HKEBRN C=CCn1c(CCCCCCC)nnc1SCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000408560154 557457850 /nfs/dbraw/zinc/45/78/50/557457850.db2.gz BUSYUGJXJKECQJ-UHFFFAOYSA-N 0 0 421.010 5.670 40 30 HKEBRN CCCCCCCc1nnc(SCC(=O)Nc2c(C)cc(C)cc2C)n1CC ZINC000408560232 558504271 /nfs/dbraw/zinc/50/42/71/558504271.db2.gz GCTWLLLOEHDRKL-UHFFFAOYSA-N 0 0 402.608 5.467 40 30 HKEBRN CCCCCCCc1nnc(SCC(=O)Nc2ccc(Cl)c(Cl)c2)n1C ZINC000408560235 558504186 /nfs/dbraw/zinc/50/41/86/558504186.db2.gz GHDBXGWRSLJSQW-UHFFFAOYSA-N 0 0 415.390 5.366 40 30 HKEBRN CCCCCCCc1nnc(SCC(=O)Nc2ccc(Cl)cc2Cl)n1C ZINC000408560470 558504384 /nfs/dbraw/zinc/50/43/84/558504384.db2.gz IYBDZLKDEATHRK-UHFFFAOYSA-N 0 0 415.390 5.366 40 30 HKEBRN CCCCCCCc1nnc(SCC(=O)Nc2c(C)cccc2CC)n1CC ZINC000408560554 557458936 /nfs/dbraw/zinc/45/89/36/557458936.db2.gz KQQNABCRCJKHBZ-UHFFFAOYSA-N 0 0 402.608 5.413 40 30 HKEBRN C=CCn1c(CCCCCCC)nnc1SCC(=O)Nc1c(C)cc(C)cc1C ZINC000408560577 558504349 /nfs/dbraw/zinc/50/43/49/558504349.db2.gz LATYUSJDNKFOQW-UHFFFAOYSA-N 0 0 414.619 5.633 40 30 HKEBRN C=CCn1c(CCCCCCC)nnc1SCC(=O)Nc1c(C)cccc1CC ZINC000408560580 558504437 /nfs/dbraw/zinc/50/44/37/558504437.db2.gz LDOJUPBODVTTED-UHFFFAOYSA-N 0 0 414.619 5.579 40 30 HKEBRN C=CCOc1ccc2ccccc2c1CNc1ccc(Br)c(Cl)c1 ZINC000408560592 558504393 /nfs/dbraw/zinc/50/43/93/558504393.db2.gz ZVQNTOMSRBLWBK-UHFFFAOYSA-N 0 0 402.719 6.433 40 30 HKEBRN C=CCn1c(CCCCCCC)nnc1SCC(=O)Nc1ccc2ccccc2c1 ZINC000408560603 558504459 /nfs/dbraw/zinc/50/44/59/558504459.db2.gz LRBCUNXEWCOPAC-UHFFFAOYSA-N 0 0 422.598 5.861 40 30 HKEBRN C=CCn1c(CCCCCCC)nnc1SCC(=O)Nc1ccc(C(C)C)cc1 ZINC000408560708 558504679 /nfs/dbraw/zinc/50/46/79/558504679.db2.gz NYIWPRCBRULLTQ-UHFFFAOYSA-N 0 0 414.619 5.831 40 30 HKEBRN C=CCn1c(CCCCCCC)nnc1SCC(=O)Nc1ccc(OCC)cc1 ZINC000408560739 558504598 /nfs/dbraw/zinc/50/45/98/558504598.db2.gz OHWZEHIEURWUCE-UHFFFAOYSA-N 0 0 416.591 5.107 40 30 HKEBRN CCCCCCCc1nnc(SCC(=O)Nc2ccc(C)c(Cl)c2)n1CC ZINC000408560742 558504644 /nfs/dbraw/zinc/50/46/44/558504644.db2.gz OIKXTWGFKRZJMM-UHFFFAOYSA-N 0 0 408.999 5.504 40 30 HKEBRN CCCCCCCc1nnc(SCC(=O)Nc2ccc(C(C)C)cc2)n1CC ZINC000408560757 558504660 /nfs/dbraw/zinc/50/46/60/558504660.db2.gz OLOCVEMXMBYYNY-UHFFFAOYSA-N 0 0 402.608 5.665 40 30 HKEBRN C=CCn1c(CCCCCCC)nnc1SCC(=O)Nc1c(C)cccc1C ZINC000408560826 557459294 /nfs/dbraw/zinc/45/92/94/557459294.db2.gz PKDBTXUMTASJQY-UHFFFAOYSA-N 0 0 400.592 5.325 40 30 HKEBRN CCCCCCCc1nnc(SCC(=O)Nc2cccc3ccccc32)n1CC ZINC000408560827 558504530 /nfs/dbraw/zinc/50/45/30/558504530.db2.gz FFBIQRRRMUKTPN-UHFFFAOYSA-N 0 0 410.587 5.695 40 30 HKEBRN C=CCn1c(CCCCCCC)nnc1SCC(=O)Nc1ccccc1OCC ZINC000408560833 558504537 /nfs/dbraw/zinc/50/45/37/558504537.db2.gz PMYZCIOPLAPTRW-UHFFFAOYSA-N 0 0 416.591 5.107 40 30 HKEBRN CCCCCCCc1nnc(SCC(=O)Nc2cccc(C(F)(F)F)c2)n1C ZINC000408560839 557459241 /nfs/dbraw/zinc/45/92/41/557459241.db2.gz FGDCCDTVPKHBNH-UHFFFAOYSA-N 0 0 414.497 5.078 40 30 HKEBRN CCCCCCCc1nnc(SCC(=O)Nc2cccc(Cl)c2Cl)n1C ZINC000408560890 557459277 /nfs/dbraw/zinc/45/92/77/557459277.db2.gz QMTPUPLWOZUIHN-UHFFFAOYSA-N 0 0 415.390 5.366 40 30 HKEBRN CCCCCCCc1nnc(SCC(=O)Nc2ccc3ccccc3c2)n1CC ZINC000408560919 557459224 /nfs/dbraw/zinc/45/92/24/557459224.db2.gz RLAIMJRMCHJNJI-UHFFFAOYSA-N 0 0 410.587 5.695 40 30 HKEBRN C=CCn1c(CCCCCCC)nnc1SCC(=O)Nc1cccc(C)c1C ZINC000408560984 558504804 /nfs/dbraw/zinc/50/48/04/558504804.db2.gz SSFVUUSPKNLAEI-UHFFFAOYSA-N 0 0 400.592 5.325 40 30 HKEBRN CCCCCCCc1nnc(SCC(=O)Nc2ccc3c4c(cccc42)CC3)n1C ZINC000408561010 557459468 /nfs/dbraw/zinc/45/94/68/557459468.db2.gz UMWCKORCGOUOTB-UHFFFAOYSA-N 0 0 422.598 5.311 40 30 HKEBRN CCCCCCCc1nnc(SCC(=O)Nc2cccc(Cl)c2C)n1CC ZINC000408561047 558504891 /nfs/dbraw/zinc/50/48/91/558504891.db2.gz WTJAEFWHGSMARO-UHFFFAOYSA-N 0 0 408.999 5.504 40 30 HKEBRN CCCCCCCc1nnc(SCC(=O)Nc2cc(Cl)cc(Cl)c2)n1C ZINC000408561061 558504808 /nfs/dbraw/zinc/50/48/08/558504808.db2.gz XMZRBBIQFJJCJR-UHFFFAOYSA-N 0 0 415.390 5.366 40 30 HKEBRN C=CCn1c(CCCCCCC)nnc1SCC(=O)Nc1cccc(Cl)c1C ZINC000408561246 558504800 /nfs/dbraw/zinc/50/48/00/558504800.db2.gz ZPIIXTJFWRYRPB-UHFFFAOYSA-N 0 0 421.010 5.670 40 30 HKEBRN C=CCn1c(CCCCCCC)nnc1SCC(=O)Nc1ccc(Cl)cc1 ZINC000408561313 558504772 /nfs/dbraw/zinc/50/47/72/558504772.db2.gz HQZYPYSOMXRQED-UHFFFAOYSA-N 0 0 406.983 5.361 40 30 HKEBRN C=CCn1c(CCCCCCC)nnc1SCC(=O)Nc1ccccc1Cl ZINC000408561950 558505321 /nfs/dbraw/zinc/50/53/21/558505321.db2.gz LXXPICVBKLHTGU-UHFFFAOYSA-N 0 0 406.983 5.361 40 30 HKEBRN C=CCn1c(CCCCCCC)nnc1SCC(=O)Nc1cccc(Cl)c1 ZINC000408562187 558505192 /nfs/dbraw/zinc/50/51/92/558505192.db2.gz NXVVCOUNJYMECW-UHFFFAOYSA-N 0 0 406.983 5.361 40 30 HKEBRN C=CCn1c(CCCCCCC)nnc1SCC(=O)Nc1cccc2ccccc21 ZINC000408562438 558505460 /nfs/dbraw/zinc/50/54/60/558505460.db2.gz PNBPOQBIXCFFQH-UHFFFAOYSA-N 0 0 422.598 5.861 40 30 HKEBRN COc1cc(C=C2CCCCC(C(=O)C(F)(F)F)=C2O)cc(Br)c1O ZINC000408562937 558505596 /nfs/dbraw/zinc/50/55/96/558505596.db2.gz GUUNKITYYMEOIE-FAIWILQLSA-N 0 0 421.209 5.064 40 30 HKEBRN CCC(C)(C)[C@@H]1CCC(=O)C(=CNc2ccc(I)cc2C)C1 ZINC000408563143 558505919 /nfs/dbraw/zinc/50/59/19/558505919.db2.gz IXZPXNIWSHVOFZ-OKFGHLOFSA-N 0 0 411.327 5.701 40 30 HKEBRN CCC(C)(C)[C@H]1CCC(=O)C(=CNc2ccc(I)cc2C)C1 ZINC000408563146 558505951 /nfs/dbraw/zinc/50/59/51/558505951.db2.gz IXZPXNIWSHVOFZ-ZQHYZAEZSA-N 0 0 411.327 5.701 40 30 HKEBRN CCC(C)(C)[C@@H]1CCC(=O)C(=CNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000408563957 558504190 /nfs/dbraw/zinc/50/41/90/558504190.db2.gz STZIONFYISMRIY-XZHRJIJLSA-N 0 0 407.398 6.825 40 30 HKEBRN CCC(C)(C)[C@H]1CCC(=O)C(=CNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000408563958 558504115 /nfs/dbraw/zinc/50/41/15/558504115.db2.gz STZIONFYISMRIY-YLSINNKHSA-N 0 0 407.398 6.825 40 30 HKEBRN C=CCOc1cccc(NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c1 ZINC000408564178 557471044 /nfs/dbraw/zinc/47/10/44/557471044.db2.gz SKJCTOOUIPFECI-UHFFFAOYSA-N 0 0 409.938 6.449 40 30 HKEBRN CCOc1cc(C=C2CCCC(C(=O)C(F)(F)F)=C2O)cc(Br)c1O ZINC000408564179 557470976 /nfs/dbraw/zinc/47/09/76/557470976.db2.gz VUXOZAGKEHWYEH-FAIWILQLSA-N 0 0 421.209 5.064 40 30 HKEBRN Clc1ccccc1COc1ccc(C=NNc2ccccc2)cc1Br ZINC000408565814 557463782 /nfs/dbraw/zinc/46/37/82/557463782.db2.gz ATERAOJUKPVOGA-YDZHTSKRSA-N 0 0 415.718 6.128 40 30 HKEBRN Cc1cc(C=NNc2ccccc2)c(C)n1-c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000408566467 557464827 /nfs/dbraw/zinc/46/48/27/557464827.db2.gz GRXRGQLDASUPDJ-YZSQISJMSA-N 0 0 410.477 6.115 40 30 HKEBRN Clc1ccc(COc2ccc(C=NNc3ccccc3)cc2Br)cc1 ZINC000408567224 558506884 /nfs/dbraw/zinc/50/68/84/558506884.db2.gz KWUFXSXAHHMAEZ-YDZHTSKRSA-N 0 0 415.718 6.128 40 30 HKEBRN C=CCOc1ccc(NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1 ZINC000408568259 557465866 /nfs/dbraw/zinc/46/58/66/557465866.db2.gz SSCQCUGGGFWCEP-UHFFFAOYSA-N 0 0 409.938 6.449 40 30 HKEBRN Cc1sc(NC(=S)NC(=O)C=Cc2ccc(-c3ccccc3)o2)c(C#N)c1C ZINC000408572593 558506187 /nfs/dbraw/zinc/50/61/87/558506187.db2.gz KWHGJXIJBLZZKE-PKNBQFBNSA-N 0 0 407.520 5.023 40 30 HKEBRN C=CCOc1c(Cl)cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)cc1OCC ZINC000408575671 557479166 /nfs/dbraw/zinc/47/91/66/557479166.db2.gz WUAZXJIYWNJSIH-KRWDZBQOSA-N 0 0 400.862 5.193 40 30 HKEBRN C=CCOc1c(Cl)cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)cc1OCC ZINC000408575672 557479116 /nfs/dbraw/zinc/47/91/16/557479116.db2.gz WUAZXJIYWNJSIH-QGZVFWFLSA-N 0 0 400.862 5.193 40 30 HKEBRN C=CCOc1ccc(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1 ZINC000408576456 557479612 /nfs/dbraw/zinc/47/96/12/557479612.db2.gz UZUPMVJQKAIXGB-HAVVHWLPSA-N 0 0 400.434 5.339 40 30 HKEBRN CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)Cn3ccc4ccccc43)sc2C1 ZINC000408582014 558516251 /nfs/dbraw/zinc/51/62/51/558516251.db2.gz LAUCECBFYOGRQZ-KRWDZBQOSA-N 0 0 405.567 5.754 40 30 HKEBRN CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)Cn3ccc4ccccc43)sc2C1 ZINC000408582015 558516254 /nfs/dbraw/zinc/51/62/54/558516254.db2.gz LAUCECBFYOGRQZ-QGZVFWFLSA-N 0 0 405.567 5.754 40 30 HKEBRN CCOc1c(OC)cc(C#N)cc1C(=O)Nc1ccc(Oc2ccccc2OC)cc1 ZINC000408582959 558516469 /nfs/dbraw/zinc/51/64/69/558516469.db2.gz PZCGXGBSKTVELO-UHFFFAOYSA-N 0 0 418.449 5.019 40 30 HKEBRN CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)CSc3ccc(C)cc3)sc2C1 ZINC000408583095 558516643 /nfs/dbraw/zinc/51/66/43/558516643.db2.gz RNPZYDGNGGQYEE-INIZCTEOSA-N 0 0 412.624 6.200 40 30 HKEBRN CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CSc3ccc(C)cc3)sc2C1 ZINC000408583100 558516495 /nfs/dbraw/zinc/51/64/95/558516495.db2.gz RNPZYDGNGGQYEE-MRXNPFEDSA-N 0 0 412.624 6.200 40 30 HKEBRN CCCCCCCCOc1ccc(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000408585787 558518689 /nfs/dbraw/zinc/51/86/89/558518689.db2.gz IOEPUWBPKYWUQW-UHFFFAOYSA-N 0 0 413.470 5.374 40 30 HKEBRN CCCCCCCCOc1ccc(C(=O)OCC(=O)c2ccc(Cl)cc2)cc1 ZINC000408585890 557489701 /nfs/dbraw/zinc/48/97/01/557489701.db2.gz JXIWVTLZYPSYDA-UHFFFAOYSA-N 0 0 402.918 6.119 40 30 HKEBRN CCCCCCCCOc1ccc(C(=O)Nc2ccc(Br)cc2C)cc1 ZINC000408586218 558518820 /nfs/dbraw/zinc/51/88/20/558518820.db2.gz LZGNZOREFNHMOV-UHFFFAOYSA-N 0 0 418.375 6.749 40 30 HKEBRN CCCCCCCCOc1ccc(C(=O)Nc2ccccc2Oc2ccccc2)cc1 ZINC000408586267 557488208 /nfs/dbraw/zinc/48/82/08/557488208.db2.gz MKUWDGNYJFJKKN-UHFFFAOYSA-N 0 0 417.549 7.471 40 30 HKEBRN Cc1c(C=NN=c2[nH]c3ccccc3s2)c2ccccc2n1Cc1ccc(F)cc1 ZINC000408586412 558518945 /nfs/dbraw/zinc/51/89/45/558518945.db2.gz BTOPDFWYFVRMRS-VULFUBBASA-N 0 0 414.509 6.193 40 30 HKEBRN Cc1cc(C=NN=c2[nH]c3ccccc3s2)c(C)n1-c1cc(Cl)ccc1Cl ZINC000408586877 557493236 /nfs/dbraw/zinc/49/32/36/557493236.db2.gz CVEOAXMLCBVLQA-FOKLQQMPSA-N 0 0 415.349 6.457 40 30 HKEBRN CCCCCCCCOc1ccc(C(=O)Nc2ccccc2Br)cc1 ZINC000408587569 557491061 /nfs/dbraw/zinc/49/10/61/557491061.db2.gz RZPQWSPMBSCVQG-UHFFFAOYSA-N 0 0 404.348 6.441 40 30 HKEBRN CCCCCCCCOc1ccc(C(=O)Nc2cccc(Br)c2)cc1 ZINC000408587588 558519488 /nfs/dbraw/zinc/51/94/88/558519488.db2.gz SFINCMZNVGCSGO-UHFFFAOYSA-N 0 0 404.348 6.441 40 30 HKEBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(C=NN=c2[nH]c3ccccc3s2)c1C ZINC000408587783 558519480 /nfs/dbraw/zinc/51/94/80/558519480.db2.gz HIENTWQKOKEKCI-WSDLNYQXSA-N 0 0 421.482 5.067 40 30 HKEBRN O=[N+]([O-])c1cccc(CO/N=C/c2ccc(-c3cccc(Br)c3)o2)c1 ZINC000408587826 558519449 /nfs/dbraw/zinc/51/94/49/558519449.db2.gz AHMRILZRFIVHPK-RGVLZGJSSA-N 0 0 401.216 5.168 40 30 HKEBRN Cc1cc(/C=N/OCc2ccccc2C#N)c(C)n1-c1cccc(Br)c1 ZINC000408587882 557491354 /nfs/dbraw/zinc/49/13/54/557491354.db2.gz ALBXWEMAGSSRTL-ZMOGYAJESA-N 0 0 408.299 5.279 40 30 HKEBRN O=[N+]([O-])c1cccc(CO/N=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)c1 ZINC000408587917 557491348 /nfs/dbraw/zinc/49/13/48/557491348.db2.gz APDYMTVFGDYRHA-DHRITJCHSA-N 0 0 419.868 5.802 40 30 HKEBRN Cc1cc(/C=N\OCc2cccc([N+](=O)[O-])c2)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000408587991 558520089 /nfs/dbraw/zinc/52/00/89/558520089.db2.gz AVMXSTJZJMNGBK-KSEXSDGBSA-N 0 0 418.280 5.860 40 30 HKEBRN N#Cc1ccccc1CO/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000408588018 558520456 /nfs/dbraw/zinc/52/04/56/558520456.db2.gz AZMMGKGJGQANLY-LGJNPRDNSA-N 0 0 411.288 5.995 40 30 HKEBRN CC(C)Oc1ccc(/C=N/c2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)c(O)c1 ZINC000408588099 557491584 /nfs/dbraw/zinc/49/15/84/557491584.db2.gz HVFAZRLGBJNGDT-STBIYBPSSA-N 0 0 422.484 6.729 40 30 HKEBRN Cc1cc(C=NN=c2[nH]c3ccccc3s2)c(C)n1-c1cc([N+](=O)[O-])ccc1C ZINC000408588130 558521347 /nfs/dbraw/zinc/52/13/47/558521347.db2.gz IAJQLAYPFQCYCT-WSDLNYQXSA-N 0 0 405.483 5.366 40 30 HKEBRN Cc1cc(C=NNc2nc3ccccc3[nH]2)c(C)n1-c1ccc(Br)cc1 ZINC000408588203 558521950 /nfs/dbraw/zinc/52/19/50/558521950.db2.gz IHPPMQMMMKBLOI-WSDLNYQXSA-N 0 0 408.303 5.179 40 30 HKEBRN COc1ccc(Cl)cc1-n1c(C)cc(C=NN=c2[nH]c3ccccc3s2)c1C ZINC000408588288 558522233 /nfs/dbraw/zinc/52/22/33/558522233.db2.gz IUTPBKQSUSDISD-FSJBWODESA-N 0 0 410.930 5.812 40 30 HKEBRN N#Cc1ccccc1CO/N=C/c1cn(Cc2cccc([N+](=O)[O-])c2)c2ccccc12 ZINC000408588315 557491665 /nfs/dbraw/zinc/49/16/65/557491665.db2.gz BERULFJRPOEXFR-VULFUBBASA-N 0 0 410.433 5.020 40 30 HKEBRN CCCCCCCCOc1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 ZINC000408588486 557492917 /nfs/dbraw/zinc/49/29/17/557492917.db2.gz WMLKPSRIRSMBFB-UHFFFAOYSA-N 0 0 417.549 7.471 40 30 HKEBRN CCOc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)ccc1OCc1ccccc1F ZINC000408588499 557493998 /nfs/dbraw/zinc/49/39/98/557493998.db2.gz BQVCBPIQMCPXPA-AFUMVMLFSA-N 0 0 424.428 5.262 40 30 HKEBRN COc1cc(/C=N/OCc2ccccc2C#N)cc(Cl)c1OCc1cccc(C)c1 ZINC000408588634 558522641 /nfs/dbraw/zinc/52/26/41/558522641.db2.gz CBLBIKYUYOFZJU-MZJWZYIUSA-N 0 0 420.896 5.658 40 30 HKEBRN Cc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)c(C)n1-c1cc(Cl)ccc1Cl ZINC000408588671 558522568 /nfs/dbraw/zinc/52/25/68/558522568.db2.gz CFUDXQOHLOOVAN-FOKLQQMPSA-N 0 0 418.280 5.860 40 30 HKEBRN CCOc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)ccc1OCc1cccc(F)c1 ZINC000408589057 558523526 /nfs/dbraw/zinc/52/35/26/558523526.db2.gz CTVPPGZBVLBLSJ-AFUMVMLFSA-N 0 0 424.428 5.262 40 30 HKEBRN Cc1cc(/C=N/OCc2ccccc2C#N)c(C)n1-c1ccccc1Br ZINC000408589089 557496836 /nfs/dbraw/zinc/49/68/36/557496836.db2.gz CZWWFCKEBDBSPG-ZMOGYAJESA-N 0 0 408.299 5.279 40 30 HKEBRN Cc1c(/C=N/OCc2ccccc2C#N)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 ZINC000408589116 558523536 /nfs/dbraw/zinc/52/35/36/558523536.db2.gz DBNQUMOBLCCRLN-JFLMPSFJSA-N 0 0 424.460 5.329 40 30 HKEBRN Cc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)c(C)n1-c1cccc(Cl)c1Cl ZINC000408589188 558523494 /nfs/dbraw/zinc/52/34/94/558523494.db2.gz DFCAPBAERUPZGA-FOKLQQMPSA-N 0 0 418.280 5.860 40 30 HKEBRN O=[N+]([O-])c1cccc(CO/N=C/c2ccccc2OCc2cccc3ccccc32)c1 ZINC000408589243 558524015 /nfs/dbraw/zinc/52/40/15/558524015.db2.gz DJPSGQUZFDIOFJ-WGOQTCKBSA-N 0 0 412.445 5.878 40 30 HKEBRN Cc1c(/C=N/OCc2cccc([N+](=O)[O-])c2)c2ccccc2n1Cc1ccccc1F ZINC000408589324 558518400 /nfs/dbraw/zinc/51/84/00/558518400.db2.gz DSFRNCUEZSESSU-VULFUBBASA-N 0 0 417.440 5.596 40 30 HKEBRN O=[N+]([O-])c1cccc(CO/N=C/c2ccccc2OCc2ccc3ccccc3c2)c1 ZINC000408589565 558528511 /nfs/dbraw/zinc/52/85/11/558528511.db2.gz DUEHKZHTIRHCGA-WGOQTCKBSA-N 0 0 412.445 5.878 40 30 HKEBRN COc1cc(/C=N/OCc2ccccc2C#N)cc(Cl)c1OCc1ccc(F)cc1 ZINC000408589605 558528557 /nfs/dbraw/zinc/52/85/57/558528557.db2.gz FATVCKSLWOPXBD-UVHMKAGCSA-N 0 0 424.859 5.489 40 30 HKEBRN N#Cc1ccccc1CO/N=C/c1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12 ZINC000408589621 558528476 /nfs/dbraw/zinc/52/84/76/558528476.db2.gz FEAUWISQHYUKPG-VULFUBBASA-N 0 0 410.433 5.020 40 30 HKEBRN CCOc1cc(/C=N/OCc2ccccc2C#N)ccc1OCc1cccc(C)c1 ZINC000408589658 557497849 /nfs/dbraw/zinc/49/78/49/557497849.db2.gz FHQFGQFIYAYJSM-JVWAILMASA-N 0 0 400.478 5.395 40 30 HKEBRN Cc1cc(C=NNc2ccccc2)c(C)n1-c1ccccc1I ZINC000408589673 558528769 /nfs/dbraw/zinc/52/87/69/558528769.db2.gz MQTYLVQCYABYEH-FYJGNVAPSA-N 0 0 415.278 5.145 40 30 HKEBRN Cc1cc(C=NNc2nc3ccccc3[nH]2)c(C)n1-c1ccccc1Br ZINC000408589681 558528697 /nfs/dbraw/zinc/52/86/97/558528697.db2.gz MTFPSEAWGCVEJL-WSDLNYQXSA-N 0 0 408.303 5.179 40 30 HKEBRN CCOC(=O)c1ccccc1-n1c(C)cc(C=NN=c2[nH]c3ccccc3s2)c1C ZINC000408589917 558528796 /nfs/dbraw/zinc/52/87/96/558528796.db2.gz NMKXSCPKZKJCPT-ZVHZXABRSA-N 0 0 418.522 5.327 40 30 HKEBRN C=CCc1cc(/C=N/OCc2ccccc2C#N)cc(OC)c1OCc1ccccc1 ZINC000408590213 558528980 /nfs/dbraw/zinc/52/89/80/558528980.db2.gz GTUMWSYFWDPKHN-OGLMXYFKSA-N 0 0 412.489 5.425 40 30 HKEBRN Cc1cc(C=NN=c2[nH]c3ccccc3s2)c(C)n1-c1cccc(Cl)c1Cl ZINC000408590214 558529015 /nfs/dbraw/zinc/52/90/15/558529015.db2.gz OCQKSKOVUMLBKQ-FOKLQQMPSA-N 0 0 415.349 6.457 40 30 HKEBRN O=[N+]([O-])c1cccc(CO/N=C/c2ccc(-c3ccc(F)cc3Br)o2)c1 ZINC000408590220 558528947 /nfs/dbraw/zinc/52/89/47/558528947.db2.gz GVFBULGOHRDKAB-UFFVCSGVSA-N 0 0 419.206 5.307 40 30 HKEBRN COc1cc(/C=N/OCc2ccccc2C#N)ccc1OCc1ccc2ccccc2c1 ZINC000408590294 558528990 /nfs/dbraw/zinc/52/89/90/558528990.db2.gz HGMOFKDIPOFHCG-STBIYBPSSA-N 0 0 422.484 5.850 40 30 HKEBRN COc1cc(/C=N/OCc2ccccc2C#N)cc(Cl)c1OCc1ccccc1 ZINC000408590697 558529166 /nfs/dbraw/zinc/52/91/66/558529166.db2.gz HNZVGUAOGATXBD-VULFUBBASA-N 0 0 406.869 5.350 40 30 HKEBRN CCOc1cc(/C=N/OCc2ccccc2C#N)ccc1OCc1cccc(F)c1 ZINC000408590750 558529232 /nfs/dbraw/zinc/52/92/32/558529232.db2.gz HTFDJJJSDYUENI-JFLMPSFJSA-N 0 0 404.441 5.226 40 30 HKEBRN N#Cc1ccccc1CO/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 ZINC000408590803 558529466 /nfs/dbraw/zinc/52/94/66/558529466.db2.gz HZXXCQSPNXJOKZ-LGJNPRDNSA-N 0 0 411.288 5.995 40 30 HKEBRN N#Cc1ccccc1CO/N=C/c1ccc(-c2cc([N+](=O)[O-])c(Cl)cc2Cl)o1 ZINC000408590833 558529501 /nfs/dbraw/zinc/52/95/01/558529501.db2.gz IDSKAGUYYMYFTJ-AUEPDCJTSA-N 0 0 416.220 5.584 40 30 HKEBRN CCOc1cc(/C=N/OCc2ccccc2C#N)ccc1OCc1ccc(C)cc1 ZINC000408590845 558529416 /nfs/dbraw/zinc/52/94/16/558529416.db2.gz IIPOXSSANOHVDJ-JVWAILMASA-N 0 0 400.478 5.395 40 30 HKEBRN N#Cc1ccccc1CO/N=C/c1cc(Cl)c(OCc2ccccc2)c(Cl)c1 ZINC000408590853 558529473 /nfs/dbraw/zinc/52/94/73/558529473.db2.gz IMHPEYSLOYXMHF-LGJNPRDNSA-N 0 0 411.288 5.995 40 30 HKEBRN C=CCOc1cccc(/C=N/c2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)c1 ZINC000408590869 558529458 /nfs/dbraw/zinc/52/94/58/558529458.db2.gz QVKPQVXGPUURLN-VUTHCHCSSA-N 0 0 404.469 6.801 40 30 HKEBRN Cc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000408591183 558529732 /nfs/dbraw/zinc/52/97/32/558529732.db2.gz IWQJAQIFFNKHKE-FOKLQQMPSA-N 0 0 401.825 5.346 40 30 HKEBRN Cc1cc(/C=N/OCc2ccccc2C#N)c(C)n1-c1ccc(Br)c(C)c1 ZINC000408591184 558529750 /nfs/dbraw/zinc/52/97/50/558529750.db2.gz IWYYIDJTOKZHNN-DHRITJCHSA-N 0 0 422.326 5.587 40 30 HKEBRN Cc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408591234 558529760 /nfs/dbraw/zinc/52/97/60/558529760.db2.gz JCKMMBBKGQUCIM-MFKUBSTISA-N 0 0 405.498 5.851 40 30 HKEBRN O=[N+]([O-])c1cccc(CO/N=C/c2ccc(Sc3ccc(Cl)cc3)s2)c1 ZINC000408591240 558529675 /nfs/dbraw/zinc/52/96/75/558529675.db2.gz JCXRKIKRBBOIMA-RGVLZGJSSA-N 0 0 404.900 6.012 40 30 HKEBRN O=[N+]([O-])c1cccc(CO/N=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)c1 ZINC000408591242 558529684 /nfs/dbraw/zinc/52/96/84/558529684.db2.gz JDGNQKPGZCTLIO-DHRITJCHSA-N 0 0 403.413 5.288 40 30 HKEBRN Cc1c(/C=N/OCc2ccccc2C#N)c2ccccc2n1Cc1ccc(Cl)cc1 ZINC000408591243 558529719 /nfs/dbraw/zinc/52/97/19/558529719.db2.gz JDZSEFVOBICSOL-RWPZCVJISA-N 0 0 413.908 6.074 40 30 HKEBRN COc1cc(/C=N/OCc2ccccc2C#N)cc(Cl)c1OCc1ccccc1F ZINC000408591245 558529671 /nfs/dbraw/zinc/52/96/71/558529671.db2.gz JEVHAABBKYBOLE-UVHMKAGCSA-N 0 0 424.859 5.489 40 30 HKEBRN COc1cc(/C=N/OCc2ccccc2C#N)cc(Cl)c1OCc1cccc(F)c1 ZINC000408591253 558529725 /nfs/dbraw/zinc/52/97/25/558529725.db2.gz JFSRHBXOUWZZAM-UVHMKAGCSA-N 0 0 424.859 5.489 40 30 HKEBRN CCOc1cc(/C=N/OCc2ccccc2C#N)ccc1OCc1ccc(F)cc1 ZINC000408591263 558529743 /nfs/dbraw/zinc/52/97/43/558529743.db2.gz JHNJLENRXMJQRB-JFLMPSFJSA-N 0 0 404.441 5.226 40 30 HKEBRN N#Cc1ccccc1CO/N=C/c1cn(Cc2cccc3ccccc32)c2ccccc12 ZINC000408591295 558529687 /nfs/dbraw/zinc/52/96/87/558529687.db2.gz JLUHLFOMGOWMSE-OCSSWDANSA-N 0 0 415.496 6.265 40 30 HKEBRN Cc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000408591312 558529721 /nfs/dbraw/zinc/52/97/21/558529721.db2.gz JQAVXLZJSWQYEC-FOKLQQMPSA-N 0 0 418.280 5.860 40 30 HKEBRN CCOc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)ccc1OCc1ccc(C)cc1 ZINC000408591316 558529695 /nfs/dbraw/zinc/52/96/95/558529695.db2.gz JRBTURRNUAGKCT-MFKUBSTISA-N 0 0 420.465 5.432 40 30 HKEBRN Cc1cc(C=NNc2nc3ccccc3[nH]2)c(C)n1-c1cccc(Br)c1 ZINC000408591539 558525300 /nfs/dbraw/zinc/52/53/00/558525300.db2.gz USVGBMRVUUIWHG-WSDLNYQXSA-N 0 0 408.303 5.179 40 30 HKEBRN CCN(CC)c1ccc(-n2c(C)cc(/C=N/OCc3cccc([N+](=O)[O-])c3)c2C)cc1 ZINC000408591737 558527398 /nfs/dbraw/zinc/52/73/98/558527398.db2.gz KEAGAMWWVJGNDI-PCLIKHOPSA-N 0 0 420.513 5.399 40 30 HKEBRN COc1cc(/C=N/OCc2ccccc2C#N)ccc1OCc1ccccc1Cl ZINC000408591774 558527743 /nfs/dbraw/zinc/52/77/43/558527743.db2.gz KJNOARRTHDSYQO-VULFUBBASA-N 0 0 406.869 5.350 40 30 HKEBRN O=[N+]([O-])c1cccc(CO/N=C/c2ccc(OCc3cccc4ccccc43)cc2)c1 ZINC000408591851 557504590 /nfs/dbraw/zinc/50/45/90/557504590.db2.gz KVLGYWSHLAPWKZ-WGOQTCKBSA-N 0 0 412.445 5.878 40 30 HKEBRN CCOC(=O)c1cccc(-n2c(C)cc(C=NN=c3[nH]c4ccccc4s3)c2C)c1 ZINC000408592353 558528048 /nfs/dbraw/zinc/52/80/48/558528048.db2.gz XVUJZWKAXFVKRB-ZVHZXABRSA-N 0 0 418.522 5.327 40 30 HKEBRN CCOc1cc(/C=N/OCc2ccccc2C#N)ccc1OCc1ccccc1F ZINC000408592549 558528086 /nfs/dbraw/zinc/52/80/86/558528086.db2.gz MLWPWFOGDVLGEU-JFLMPSFJSA-N 0 0 404.441 5.226 40 30 HKEBRN O=[N+]([O-])c1cccc(CO/N=C/c2cn(Cc3ccccc3Cl)c3ccccc23)c1 ZINC000408592581 558528297 /nfs/dbraw/zinc/52/82/97/558528297.db2.gz MSMLHRZMWLBTFZ-DHRITJCHSA-N 0 0 419.868 5.802 40 30 HKEBRN CCOc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)ccc1OCc1ccccc1 ZINC000408592594 558528305 /nfs/dbraw/zinc/52/83/05/558528305.db2.gz MUKPXXMLKPALGE-BUVRLJJBSA-N 0 0 406.438 5.123 40 30 HKEBRN CCOc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)ccc1OCc1ccc(F)cc1 ZINC000408592609 557506304 /nfs/dbraw/zinc/50/63/04/557506304.db2.gz MVKUGYREGIMMIE-AFUMVMLFSA-N 0 0 424.428 5.262 40 30 HKEBRN Cc1cc(/C=N\OCc2ccccc2C#N)c(C)n1-c1ccc(-c2ccccc2)cc1 ZINC000408592644 557506309 /nfs/dbraw/zinc/50/63/09/557506309.db2.gz NEVLLPSUTXUOEH-MIXAMLLLSA-N 0 0 405.501 6.184 40 30 HKEBRN N#Cc1ccccc1CO/N=C/c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000408592672 558528309 /nfs/dbraw/zinc/52/83/09/558528309.db2.gz NIUAVIGIXVXYSQ-AFUMVMLFSA-N 0 0 421.294 5.450 40 30 HKEBRN CCOc1cc(/C=N/OCc2ccccc2C#N)ccc1OCc1ccc(Cl)cc1 ZINC000408592706 558528301 /nfs/dbraw/zinc/52/83/01/558528301.db2.gz NMGJLFAIEDUEQA-JFLMPSFJSA-N 0 0 420.896 5.740 40 30 HKEBRN CCOc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)cc(Cl)c1O[C@H](C)CC ZINC000408592736 558528307 /nfs/dbraw/zinc/52/83/07/558528307.db2.gz NRBFKBSMAMKNJX-LVCXCXRVSA-N 0 0 406.866 5.375 40 30 HKEBRN CCOc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)cc(Cl)c1O[C@@H](C)CC ZINC000408592739 558528311 /nfs/dbraw/zinc/52/83/11/558528311.db2.gz NRBFKBSMAMKNJX-OFJBCHTGSA-N 0 0 406.866 5.375 40 30 HKEBRN CCCCc1ccc(-n2c(C)cc(/C=N/OCc3cccc([N+](=O)[O-])c3)c2C)cc1 ZINC000408593084 558528252 /nfs/dbraw/zinc/52/82/52/558528252.db2.gz OVUUGNBVZHANID-PCLIKHOPSA-N 0 0 405.498 5.896 40 30 HKEBRN Cc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)c(C)n1-c1ccc2ncccc2c1 ZINC000408593306 558528493 /nfs/dbraw/zinc/52/84/93/558528493.db2.gz PGTAQRKXHWBWIC-AFUMVMLFSA-N 0 0 400.438 5.101 40 30 HKEBRN Cc1ccc(-c2ccc(/C=N\OCc3cccc([N+](=O)[O-])c3)o2)c(Br)c1 ZINC000408593437 558529463 /nfs/dbraw/zinc/52/94/63/558529463.db2.gz POSFKXUJKGZOFB-NHDPSOOVSA-N 0 0 415.243 5.476 40 30 HKEBRN COc1cc(/C=N/OCc2ccccc2C#N)ccc1OCc1cccc2ccccc21 ZINC000408593507 558530120 /nfs/dbraw/zinc/53/01/20/558530120.db2.gz QFOJUDFVCHDLLR-STBIYBPSSA-N 0 0 422.484 5.850 40 30 HKEBRN CCCCOC(=O)c1ccc(-c2ccc(/C=N/OCc3ccccc3C#N)o2)cc1 ZINC000408593540 558530175 /nfs/dbraw/zinc/53/01/75/558530175.db2.gz BASDUFWPMBYBBI-WGOQTCKBSA-N 0 0 402.450 5.326 40 30 HKEBRN O=[N+]([O-])c1cccc(CO/N=C/c2cn(Cc3ccccc3F)c3ccccc23)c1 ZINC000408593594 557511326 /nfs/dbraw/zinc/51/13/26/557511326.db2.gz QLHYRODDDPSPMB-DHRITJCHSA-N 0 0 403.413 5.288 40 30 HKEBRN COc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)ccc1OCc1ccc(C)cc1 ZINC000408593658 558530273 /nfs/dbraw/zinc/53/02/73/558530273.db2.gz QUPJHCGOKWLIME-ZVHZXABRSA-N 0 0 406.438 5.042 40 30 HKEBRN Cc1cccc(NC(=O)Cn2cc(/C=N/OCc3ccccc3C#N)c3ccccc32)c1 ZINC000408594009 558530619 /nfs/dbraw/zinc/53/06/19/558530619.db2.gz CSNQMORXIJUZSE-RWPZCVJISA-N 0 0 422.488 5.011 40 30 HKEBRN C=CCn1c(COc2cccc3ccccc32)nnc1SCC(=O)c1ccccc1 ZINC000408594012 558530576 /nfs/dbraw/zinc/53/05/76/558530576.db2.gz CYPVTVDOMMJRAZ-UHFFFAOYSA-N 0 0 415.518 5.171 40 30 HKEBRN N#Cc1ccccc1CO/N=C/c1ccc(OCc2ccccc2)c(Br)c1 ZINC000408594072 558530476 /nfs/dbraw/zinc/53/04/76/558530476.db2.gz RXPGTHZEUUHKMU-AFUMVMLFSA-N 0 0 421.294 5.450 40 30 HKEBRN N#Cc1ccccc1Cn1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)c2ccccc21 ZINC000408594091 558530593 /nfs/dbraw/zinc/53/05/93/558530593.db2.gz SCSXKSHFWZKTIZ-VULFUBBASA-N 0 0 410.433 5.020 40 30 HKEBRN N#Cc1ccccc1CO/N=C/c1ccc(-c2ccc(Br)c(Cl)c2)o1 ZINC000408594098 558530461 /nfs/dbraw/zinc/53/04/61/558530461.db2.gz SDWAPRVHTUQGTL-FOKLQQMPSA-N 0 0 415.674 5.785 40 30 HKEBRN N#Cc1ccccc1CO/N=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408594119 558530625 /nfs/dbraw/zinc/53/06/25/558530625.db2.gz FUCUFQHNRFEMHA-LGJNPRDNSA-N 0 0 411.288 5.995 40 30 HKEBRN O=[N+]([O-])c1cccc(CO/N=C/c2ccc(-c3ccc(Br)cc3F)o2)c1 ZINC000408594148 558530580 /nfs/dbraw/zinc/53/05/80/558530580.db2.gz SNSCLYBFAVTWBU-UFFVCSGVSA-N 0 0 419.206 5.307 40 30 HKEBRN Cc1cc(/C=N\OCc2ccccc2C#N)c(C)n1-c1ccc(Br)cc1 ZINC000408594151 558530570 /nfs/dbraw/zinc/53/05/70/558530570.db2.gz SODFOPYOJMGRQC-CFRMEGHHSA-N 0 0 408.299 5.279 40 30 HKEBRN COc1cc(/C=N/OCc2ccccc2C#N)cc(Cl)c1OCc1ccc(C)cc1 ZINC000408594610 558530926 /nfs/dbraw/zinc/53/09/26/558530926.db2.gz UHPBPPAMDKOHCZ-MZJWZYIUSA-N 0 0 420.896 5.658 40 30 HKEBRN N#Cc1ccccc1CO/N=C/c1cc(Br)ccc1OCc1ccccc1 ZINC000408594638 558530907 /nfs/dbraw/zinc/53/09/07/558530907.db2.gz IZTVVQLQGRKNIG-AFUMVMLFSA-N 0 0 421.294 5.450 40 30 HKEBRN Cc1c(/C=N/OCc2cccc([N+](=O)[O-])c2)c2ccccc2n1Cc1ccccc1C#N ZINC000408594686 558530955 /nfs/dbraw/zinc/53/09/55/558530955.db2.gz UWIPESBQVMOBOE-JFLMPSFJSA-N 0 0 424.460 5.329 40 30 HKEBRN Cc1cc(/C=N/OCc2ccccc2C#N)c(C)n1-c1sc2c(c1C#N)CCCC2 ZINC000408594946 558530979 /nfs/dbraw/zinc/53/09/79/558530979.db2.gz VCNPIWJYAXLYKI-MZJWZYIUSA-N 0 0 414.534 5.329 40 30 HKEBRN Cc1c(/C=N/OCc2ccccc2C#N)c2ccccc2n1Cc1ccccc1Cl ZINC000408594974 558530918 /nfs/dbraw/zinc/53/09/18/558530918.db2.gz VDZRCKDBJMNTGF-RWPZCVJISA-N 0 0 413.908 6.074 40 30 HKEBRN Cc1c(/C=N/OCc2ccccc2C#N)c2ccccc2n1Cc1ccccc1C#N ZINC000408595021 558531044 /nfs/dbraw/zinc/53/10/44/558531044.db2.gz VIMDQKSVAWDKBT-MUFRIFMGSA-N 0 0 404.473 5.292 40 30 HKEBRN CCCCOC(=O)c1ccc(-c2ccc(/C=N/OCc3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000408595055 558531146 /nfs/dbraw/zinc/53/11/46/558531146.db2.gz VMEOHYWQUAWPDN-BUVRLJJBSA-N 0 0 422.437 5.362 40 30 HKEBRN COc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)ccc1OCc1cccc(C)c1 ZINC000408595152 558531150 /nfs/dbraw/zinc/53/11/50/558531150.db2.gz VRWHDUOLBTUJSI-ZVHZXABRSA-N 0 0 406.438 5.042 40 30 HKEBRN N#Cc1ccccc1CO/N=C/c1c(OCc2ccccc2C#N)ccc2ccccc21 ZINC000408595168 558531195 /nfs/dbraw/zinc/53/11/95/558531195.db2.gz KXCGBMTWPKKSNX-OCSSWDANSA-N 0 0 417.468 5.713 40 30 HKEBRN N#Cc1ccccc1CO/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl ZINC000408595252 558531200 /nfs/dbraw/zinc/53/12/00/558531200.db2.gz LNJQYMIDNMMVRP-LGJNPRDNSA-N 0 0 411.288 5.995 40 30 HKEBRN N#Cc1ccccc1CO/N=C/c1ccccc1OCc1ccc(Br)cc1 ZINC000408595303 558531125 /nfs/dbraw/zinc/53/11/25/558531125.db2.gz MESNCQRABITIHO-AFUMVMLFSA-N 0 0 421.294 5.450 40 30 HKEBRN N#Cc1ccccc1CO/N=C/c1cn(Cc2ccc3ccccc3c2)c2ccccc12 ZINC000408595500 558531546 /nfs/dbraw/zinc/53/15/46/558531546.db2.gz XDYJTWRRZHCWSX-OCSSWDANSA-N 0 0 415.496 6.265 40 30 HKEBRN COc1ccc(Cl)cc1-n1c(C)cc(/C=N/OCc2cccc([N+](=O)[O-])c2)c1C ZINC000408595528 558531448 /nfs/dbraw/zinc/53/14/48/558531448.db2.gz XFIJENFAKGJFRO-FSJBWODESA-N 0 0 413.861 5.215 40 30 HKEBRN C=CCn1c(SCC(=O)c2ccc(Cl)cc2Cl)nnc1-c1cccc(C)c1 ZINC000408595686 558531540 /nfs/dbraw/zinc/53/15/40/558531540.db2.gz MJVIURQIUGRKAE-UHFFFAOYSA-N 0 0 418.349 5.721 40 30 HKEBRN CC[C@@H](C)Oc1c(Br)cc(/C=N/OCc2ccccc2C#N)cc1OC ZINC000408595728 558531524 /nfs/dbraw/zinc/53/15/24/558531524.db2.gz MPZYVCWKJHWNNH-CHOFVFFHSA-N 0 0 417.303 5.057 40 30 HKEBRN CC[C@H](C)Oc1c(Br)cc(/C=N/OCc2ccccc2C#N)cc1OC ZINC000408595729 558531436 /nfs/dbraw/zinc/53/14/36/558531436.db2.gz MPZYVCWKJHWNNH-XMTZNVEYSA-N 0 0 417.303 5.057 40 30 HKEBRN CC[C@@H](C)Oc1ccc(/C=N/OCc2cccc([N+](=O)[O-])c2)cc1Br ZINC000408595971 558531554 /nfs/dbraw/zinc/53/15/54/558531554.db2.gz YIRQJMJVTCENHA-AYPRBGQRSA-N 0 0 407.264 5.085 40 30 HKEBRN CC[C@H](C)Oc1ccc(/C=N/OCc2cccc([N+](=O)[O-])c2)cc1Br ZINC000408595972 558531714 /nfs/dbraw/zinc/53/17/14/558531714.db2.gz YIRQJMJVTCENHA-HSWQHBDASA-N 0 0 407.264 5.085 40 30 HKEBRN CCOc1cc(/C=N/OCc2ccccc2C#N)ccc1OCc1ccccc1Cl ZINC000408596013 558531702 /nfs/dbraw/zinc/53/17/02/558531702.db2.gz YPINAMSXKZQJFH-JFLMPSFJSA-N 0 0 420.896 5.740 40 30 HKEBRN CCOc1cc(/C=N/OCc2ccccc2C#N)cc(Cl)c1OCc1ccccc1 ZINC000408596276 557514140 /nfs/dbraw/zinc/51/41/40/557514140.db2.gz QWCMRPROTFFSIA-JFLMPSFJSA-N 0 0 420.896 5.740 40 30 HKEBRN Cc1ccc(NC(=O)Cn2cc(/C=N/OCc3ccccc3C#N)c3ccccc32)cc1 ZINC000408596277 557514197 /nfs/dbraw/zinc/51/41/97/557514197.db2.gz QWIAXHKVRBEGNC-RWPZCVJISA-N 0 0 422.488 5.011 40 30 HKEBRN CCN(CC)c1ccc(-n2c(C)cc(/C=N/OCc3ccccc3C#N)c2C)cc1 ZINC000408596401 558531925 /nfs/dbraw/zinc/53/19/25/558531925.db2.gz YWWKYQQCAXKJLE-WPWMEQJKSA-N 0 0 400.526 5.363 40 30 HKEBRN O=[N+]([O-])c1cccc(CO/N=C/c2ccc(OCc3ccc4ccccc4c3)cc2)c1 ZINC000408596440 558531997 /nfs/dbraw/zinc/53/19/97/558531997.db2.gz ZFQDRDRBYJEBSO-WGOQTCKBSA-N 0 0 412.445 5.878 40 30 HKEBRN CCOc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)ccc1OCc1cccc(C)c1 ZINC000408596496 557514678 /nfs/dbraw/zinc/51/46/78/557514678.db2.gz ZQAXCOJXXLJRED-MFKUBSTISA-N 0 0 420.465 5.432 40 30 HKEBRN O=[N+]([O-])c1cccc(CO/N=C\c2ccc(-c3ccc(Br)cc3)o2)c1 ZINC000408596509 558532028 /nfs/dbraw/zinc/53/20/28/558532028.db2.gz ZUXODYBLJVUCIF-JAIQZWGSSA-N 0 0 401.216 5.168 40 30 HKEBRN CCOc1cc(/C=N/OCc2ccccc2C#N)cc(Br)c1OC(C)C ZINC000408596706 557516282 /nfs/dbraw/zinc/51/62/82/557516282.db2.gz TTZIDLHECDATKL-FSJBWODESA-N 0 0 417.303 5.057 40 30 HKEBRN N#Cc1ccccc1CO/N=C/c1c(OCc2ccc(F)cc2)ccc2ccccc21 ZINC000408596826 558532084 /nfs/dbraw/zinc/53/20/84/558532084.db2.gz VGGWGGXOVDDOBJ-MUFRIFMGSA-N 0 0 410.448 5.980 40 30 HKEBRN Cc1ccc(COc2ccc3ccccc3c2/C=N/OCc2ccccc2C#N)cc1 ZINC000408597140 558529712 /nfs/dbraw/zinc/52/97/12/558529712.db2.gz XDPWIVWQAUWCEW-STBIYBPSSA-N 0 0 406.485 6.150 40 30 HKEBRN N#Cc1ccccc1CN1C(=O)S/C(=C/c2ccc(-c3ccc(F)cc3F)o2)C1=O ZINC000408600185 558535097 /nfs/dbraw/zinc/53/50/97/558535097.db2.gz ADPAJUFLYXJTEC-KEBDBYFISA-N 0 0 422.412 5.333 40 30 HKEBRN O=C1CCCC2=C1C(c1ccc(-c3ccc(F)c(Cl)c3)o1)C1=C(CCCC1=O)O2 ZINC000408600290 558534972 /nfs/dbraw/zinc/53/49/72/558534972.db2.gz BDNDRWBHDWYCMV-UHFFFAOYSA-N 0 0 412.844 5.867 40 30 HKEBRN COc1ccc(N=C2NC(=O)/C(=C/c3ccc(-c4ccc(F)cc4F)o3)S2)cc1 ZINC000408600296 558534990 /nfs/dbraw/zinc/53/49/90/558534990.db2.gz BFIYIZZWHLVNKU-ODLFYWEKSA-N 0 0 412.417 5.125 40 30 HKEBRN N#Cc1c2c(sc1/N=C/c1ccc(OCc3c(F)cccc3Cl)cc1)CCCC2 ZINC000408600504 558535009 /nfs/dbraw/zinc/53/50/09/558535009.db2.gz BYEZJGYDFFIFQI-UVHMKAGCSA-N 0 0 424.928 6.621 40 30 HKEBRN O=C1NC(=Nc2ccccc2Cl)S/C1=C\c1ccc(-c2ccc(F)cc2F)o1 ZINC000408600558 557520339 /nfs/dbraw/zinc/52/03/39/557520339.db2.gz DGRNQACCBBIKRK-ZDLGFXPLSA-N 0 0 416.836 5.770 40 30 HKEBRN CCOC(=O)c1c2c(sc1/N=C\c1ccc(-c3ccc(F)cc3F)o1)CCCC2 ZINC000408600604 558532823 /nfs/dbraw/zinc/53/28/23/558532823.db2.gz DXHKREHFPWSLBK-ROTLSHHCSA-N 0 0 415.461 6.092 40 30 HKEBRN O=C1CCCC2=C1C(c1ccc(-c3ccc(F)c(Cl)c3)o1)C1=C(CCCC1=O)N2 ZINC000408601135 558538412 /nfs/dbraw/zinc/53/84/12/558538412.db2.gz IQBVYGFGFISOFK-UHFFFAOYSA-N 0 0 411.860 5.440 40 30 HKEBRN Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(-c4ccc(F)cc4F)o3)S2)c(C)c1 ZINC000408601270 558538317 /nfs/dbraw/zinc/53/83/17/558538317.db2.gz JMZBQJNPKQXJJE-JAIQZWGSSA-N 0 0 410.445 5.733 40 30 HKEBRN Cc1ccc(N=C2NC(=O)/C(=C\c3ccc(-c4ccc(F)c(Cl)c4)o3)S2)cc1 ZINC000408602448 558538662 /nfs/dbraw/zinc/53/86/62/558538662.db2.gz NZCINSAYWKFTFJ-YBFXNURJSA-N 0 0 412.873 5.939 40 30 HKEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(/N=C\c3ccc(-c4ccc(F)cc4F)o3)sc2C1 ZINC000408602449 558538627 /nfs/dbraw/zinc/53/86/27/558538627.db2.gz NZDUHVHFDGCXJF-PFFIHKFBSA-N 0 0 424.516 7.060 40 30 HKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(/N=C\c3ccc(-c4ccc(F)cc4F)o3)sc2C1 ZINC000408602450 558538572 /nfs/dbraw/zinc/53/85/72/558538572.db2.gz NZDUHVHFDGCXJF-SQOYCZJHSA-N 0 0 424.516 7.060 40 30 HKEBRN C#CCOc1c(Br)cc(CNc2ccc(F)c(Cl)c2)cc1OCC ZINC000408603170 558538798 /nfs/dbraw/zinc/53/87/98/558538798.db2.gz BELZPTPIVQZRIZ-UHFFFAOYSA-N 0 0 412.686 5.264 40 30 HKEBRN CC(C)COc1ccc(C=NNc2nc3ccccc3s2)cc1Br ZINC000408604102 558538834 /nfs/dbraw/zinc/53/88/34/558538834.db2.gz SMDDPOICXRGNEP-KEBDBYFISA-N 0 0 404.333 5.540 40 30 HKEBRN C#CCOc1ccc(CNc2ccc(Br)cc2C)cc1Br ZINC000408605319 557517412 /nfs/dbraw/zinc/51/74/12/557517412.db2.gz GHZWCABMFYJENQ-UHFFFAOYSA-N 0 0 409.121 5.144 40 30 HKEBRN C#CCOc1c(Cl)cc(CNc2ccc(Br)cc2C)cc1OCC ZINC000408605485 558539117 /nfs/dbraw/zinc/53/91/17/558539117.db2.gz HJMYHZGKDXXBFR-UHFFFAOYSA-N 0 0 408.723 5.434 40 30 HKEBRN CC(C)COc1ccc(/C=N\c2sc3c(c2C#N)CCCC3)cc1Br ZINC000408605638 558539168 /nfs/dbraw/zinc/53/91/68/558539168.db2.gz YLPFKSAZMRMWPK-KSEXSDGBSA-N 0 0 417.372 6.046 40 30 HKEBRN C=CCOc1c(Cl)cc(CNc2ccc(Br)cc2C)cc1OCC ZINC000408608212 558539598 /nfs/dbraw/zinc/53/95/98/558539598.db2.gz KWTAQQYCCPOVQL-UHFFFAOYSA-N 0 0 410.739 5.987 40 30 HKEBRN C=CCOc1c(Br)cc(CNc2ccc(F)c(Cl)c2)cc1OCC ZINC000408610661 557534100 /nfs/dbraw/zinc/53/41/00/557534100.db2.gz RBULPFXADJALIA-UHFFFAOYSA-N 0 0 414.702 5.817 40 30 HKEBRN C=CCOc1ccc(Br)cc1CNc1ccc(Br)cc1C ZINC000408611012 558535632 /nfs/dbraw/zinc/53/56/32/558535632.db2.gz PNDNHTOBUNFAJL-UHFFFAOYSA-N 0 0 411.137 5.697 40 30 HKEBRN C=CCOc1c(Br)cc(CNc2ccc(Cl)cc2Cl)cc1OC ZINC000408611602 557529917 /nfs/dbraw/zinc/52/99/17/557529917.db2.gz UHOYUJSCCHTCLF-UHFFFAOYSA-N 0 0 417.130 5.941 40 30 HKEBRN C#CCOc1c(Br)cc(CNc2ccc(Cl)cc2Cl)cc1OC ZINC000408612434 557530354 /nfs/dbraw/zinc/53/03/54/557530354.db2.gz VYRMVHOTQXOIJT-UHFFFAOYSA-N 0 0 415.114 5.389 40 30 HKEBRN C=CCOc1ccc(CNc2ccc(Br)cc2C)cc1Br ZINC000408612551 558537619 /nfs/dbraw/zinc/53/76/19/558537619.db2.gz SLHQCUHNGDINRP-UHFFFAOYSA-N 0 0 411.137 5.697 40 30 HKEBRN C=CCOc1c(Br)cc(CNc2ccc(F)c(Cl)c2)cc1OC ZINC000408613695 558538150 /nfs/dbraw/zinc/53/81/50/558538150.db2.gz ZKNIUDXPFPNDFU-UHFFFAOYSA-N 0 0 400.675 5.427 40 30 HKEBRN C=CCOc1c(Cl)cc(CNc2ccc(Br)cc2C)cc1Cl ZINC000408613881 558538009 /nfs/dbraw/zinc/53/80/09/558538009.db2.gz WUIPTTCJMSJQDT-UHFFFAOYSA-N 0 0 401.131 6.241 40 30 HKEBRN N#Cc1ccccc1COc1ccc(/C=C/C(=O)c2ccccc2)cc1Br ZINC000408617626 558543515 /nfs/dbraw/zinc/54/35/15/558543515.db2.gz ATKZDBFBXHXKKN-ZRDIBKRKSA-N 0 0 418.290 5.796 40 30 HKEBRN CCOc1cc(/C=C/C(=O)c2ccccc2)ccc1OCc1cccc2ccccc21 ZINC000408618677 558543624 /nfs/dbraw/zinc/54/36/24/558543624.db2.gz DWKNSKYXDIFWMY-BMRADRMJSA-N 0 0 408.497 6.714 40 30 HKEBRN Cc1cc(/C=C/C(=O)c2ccccc2)c(C)n1-c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000408619063 558543908 /nfs/dbraw/zinc/54/39/08/558543908.db2.gz FUHJOFDFKSUDOE-SFQUDFHCSA-N 0 0 422.484 6.565 40 30 HKEBRN COc1c(F)c(F)c(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c(F)c1F ZINC000408619261 557536316 /nfs/dbraw/zinc/53/63/16/557536316.db2.gz AUPNHVQAEGCSQD-UHFFFAOYSA-N 0 0 401.665 5.176 40 30 HKEBRN COc1cc(/C=C/C(=O)c2ccccc2)ccc1OCc1ccc(Br)cc1 ZINC000408619771 558543998 /nfs/dbraw/zinc/54/39/98/558543998.db2.gz HJOXWZDGQUJCLC-UKTHLTGXSA-N 0 0 423.306 5.933 40 30 HKEBRN O=C(/C=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)c1ccccc1 ZINC000408619799 558544064 /nfs/dbraw/zinc/54/40/64/558544064.db2.gz HNOIWXYXMHUPLR-ACCUITESSA-N 0 0 406.312 6.893 40 30 HKEBRN Cc1ccc(-c2nc3cc(NC(=O)c4ccc(C#N)cc4F)ccc3o2)cc1Cl ZINC000408620010 558543965 /nfs/dbraw/zinc/54/39/65/558543965.db2.gz GLIBOOYORKUHAH-UHFFFAOYSA-N 0 0 405.816 5.720 40 30 HKEBRN C=CCOc1ccc(C(=O)Nc2ccc(Br)cc2C(C)C)cc1OCC ZINC000408620345 558544312 /nfs/dbraw/zinc/54/43/12/558544312.db2.gz LYKCUWBUIMOEDV-UHFFFAOYSA-N 0 0 418.331 5.788 40 30 HKEBRN C=CCOc1ccc(C(=O)Nc2ccc(Oc3ccc(C)cc3)cc2)cc1OCC ZINC000408621521 558544591 /nfs/dbraw/zinc/54/45/91/558544591.db2.gz OMQFQCFOCNXRMN-UHFFFAOYSA-N 0 0 403.478 6.003 40 30 HKEBRN C=CCOc1ccc(C(=O)Nc2ccc(Oc3ccc(OC)cc3)cc2)cc1OCC ZINC000408622489 558540628 /nfs/dbraw/zinc/54/06/28/558540628.db2.gz QRPJOVWAENFODJ-UHFFFAOYSA-N 0 0 419.477 5.703 40 30 HKEBRN COc1c(F)c(F)c(C(=O)Nc2ccc(C(F)(F)F)cc2Cl)c(F)c1F ZINC000408623292 557550131 /nfs/dbraw/zinc/55/01/31/557550131.db2.gz SMTLHXNDMONGJZ-UHFFFAOYSA-N 0 0 401.665 5.176 40 30 HKEBRN C=CCOc1ccc(C(=O)Nc2ccc(Oc3cccc(C)c3)cc2)cc1OCC ZINC000408623329 558540587 /nfs/dbraw/zinc/54/05/87/558540587.db2.gz SJZHZPJOHFOFEL-UHFFFAOYSA-N 0 0 403.478 6.003 40 30 HKEBRN Cc1ccc(-c2nc3cc(NC(=O)c4ccc(C#N)cc4F)ccc3o2)c(Cl)c1 ZINC000408623392 558540730 /nfs/dbraw/zinc/54/07/30/558540730.db2.gz TUPJPNRGTYEWTD-UHFFFAOYSA-N 0 0 405.816 5.720 40 30 HKEBRN O=C(/C=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)c1ccccc1 ZINC000408623820 557551592 /nfs/dbraw/zinc/55/15/92/557551592.db2.gz SFYGLOILONCMJK-ACCUITESSA-N 0 0 406.312 6.893 40 30 HKEBRN COc1cc(/C=C/C(=O)c2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408623825 557551481 /nfs/dbraw/zinc/55/14/81/557551481.db2.gz SGZYZWZNMNCFDB-FMIVXFBMSA-N 0 0 413.300 6.477 40 30 HKEBRN C=CCOc1ccc(C(=O)Nc2ccc(Oc3ccccc3C)cc2)cc1OCC ZINC000408624093 558540735 /nfs/dbraw/zinc/54/07/35/558540735.db2.gz UIEZNKVGIIUQMN-UHFFFAOYSA-N 0 0 403.478 6.003 40 30 HKEBRN C=CCOc1ccc(C(=O)Nc2ccc(Oc3cccc(OC)c3)cc2)cc1OCC ZINC000408625574 557558106 /nfs/dbraw/zinc/55/81/06/557558106.db2.gz XMSAVAVSYFMYFI-UHFFFAOYSA-N 0 0 419.477 5.703 40 30 HKEBRN Cc1c(/C=C/C(=O)c2ccccc2)c2ccccc2n1Cc1ccc(Cl)c(Cl)c1 ZINC000408625661 558541192 /nfs/dbraw/zinc/54/11/92/558541192.db2.gz YWOHRTCUOXDXAB-WYMLVPIESA-N 0 0 420.339 7.201 40 30 HKEBRN CCOc1cc(/C=C/C(=O)c2ccccc2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408626123 558541446 /nfs/dbraw/zinc/54/14/46/558541446.db2.gz ZXQCTOBDCDXVMS-GXDHUFHOSA-N 0 0 403.434 5.469 40 30 HKEBRN Cc1ccc2nc(-c3ccc(Cl)c(NC(=O)c4ccc(C#N)cc4F)c3)oc2c1 ZINC000408626541 558541377 /nfs/dbraw/zinc/54/13/77/558541377.db2.gz IAEFTDNSAWKCGS-UHFFFAOYSA-N 0 0 405.816 5.720 40 30 HKEBRN Cc1ccc2oc(-c3cc(NC(=O)c4ccc(C#N)cc4F)ccc3Cl)nc2c1 ZINC000408626918 558541428 /nfs/dbraw/zinc/54/14/28/558541428.db2.gz JJZKHZDZXUHRLK-UHFFFAOYSA-N 0 0 405.816 5.720 40 30 HKEBRN Cc1sc(NC(=O)c2ccc(-c3ccc(Br)cc3)o2)c(C#N)c1C ZINC000408629215 558541672 /nfs/dbraw/zinc/54/16/72/558541672.db2.gz QCHUNAOLYBMMHE-UHFFFAOYSA-N 0 0 401.285 5.511 40 30 HKEBRN COc1ccc(C(=O)/C=C/c2cn(Cc3ccccc3Cl)c3ccccc23)cc1 ZINC000408645574 558547149 /nfs/dbraw/zinc/54/71/49/558547149.db2.gz ACKNUDYLRJQZBO-NTCAYCPXSA-N 0 0 401.893 6.248 40 30 HKEBRN Cc1cc(C=NNc2nc3ccccc3n2C)c(C)n1-c1cccc(Br)c1 ZINC000408645737 558547886 /nfs/dbraw/zinc/54/78/86/558547886.db2.gz ANXYJCCORDPXJA-YDZHTSKRSA-N 0 0 422.330 5.189 40 30 HKEBRN Cc1cc(C=NNc2nc3ccccc3n2C)c(C)n1-c1ccc(Cl)cc1Cl ZINC000408646280 558549313 /nfs/dbraw/zinc/54/93/13/558549313.db2.gz ASIYNYFIWLQCGV-WYMPLXKRSA-N 0 0 412.324 5.734 40 30 HKEBRN COc1cc(C=NNc2nc3ccccc3n2C)ccc1OCc1ccccc1Cl ZINC000408647946 557626367 /nfs/dbraw/zinc/62/63/67/557626367.db2.gz BZQQNNCTNZJPSZ-AFUMVMLFSA-N 0 0 420.900 5.260 40 30 HKEBRN COc1ccc(C(=O)/C=C/c2cn(Cc3cccc4ccccc43)c3ccccc23)cc1 ZINC000408648897 557620053 /nfs/dbraw/zinc/62/00/53/557620053.db2.gz CTPGTQDUYNDWNJ-OBGWFSINSA-N 0 0 417.508 6.748 40 30 HKEBRN COc1ccc(C(=O)/C=C/c2cc(C)n(-c3ccc(C(=O)OC(C)C)cc3)c2C)cc1 ZINC000408648912 557620027 /nfs/dbraw/zinc/62/00/27/557620027.db2.gz CVOOYJDBLVHWJJ-XNTDXEJSSA-N 0 0 417.505 5.564 40 30 HKEBRN COc1ccc(C(=O)/C=C/c2cccc(OCc3ccc(Br)cc3)c2)cc1 ZINC000408652980 557633984 /nfs/dbraw/zinc/63/39/84/557633984.db2.gz IRQQDCFGMPXMFW-VGOFMYFVSA-N 0 0 423.306 5.933 40 30 HKEBRN COc1ccc(C(=O)/C=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)cc1 ZINC000408653416 558556726 /nfs/dbraw/zinc/55/67/26/558556726.db2.gz IZWHZICCCZNGBE-IZZDOVSWSA-N 0 0 400.305 6.306 40 30 HKEBRN Cc1cc(C=NNc2nc3ccccc3n2C)c(C)n1-c1ccccc1Br ZINC000408653580 557635352 /nfs/dbraw/zinc/63/53/52/557635352.db2.gz JMEBQIMQCPFBSW-YDZHTSKRSA-N 0 0 422.330 5.189 40 30 HKEBRN COc1ccc(C(=O)/C=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)cc1 ZINC000408654755 557637583 /nfs/dbraw/zinc/63/75/83/557637583.db2.gz GPCHSBBHLHIIMJ-UUILKARUSA-N 0 0 420.377 5.200 40 30 HKEBRN COc1ccc(C(=O)/C=C/c2cc(C)n(-c3cccc(Br)c3)c2C)cc1 ZINC000408655752 558552947 /nfs/dbraw/zinc/55/29/47/558552947.db2.gz LNUKQTVPCCRAOV-FMIVXFBMSA-N 0 0 410.311 5.761 40 30 HKEBRN COc1ccc(C(=O)/C=C/c2ccc(OCc3ccccc3)c(Br)c2)cc1 ZINC000408656046 558558032 /nfs/dbraw/zinc/55/80/32/558558032.db2.gz HDTLVHSFRPRTLH-NTUHNPAUSA-N 0 0 423.306 5.933 40 30 HKEBRN CCOC(=O)c1cc(-c2ccc(C=NN=c3[nH]c4ccccc4n3C)o2)ccc1Cl ZINC000408656335 557639413 /nfs/dbraw/zinc/63/94/13/557639413.db2.gz LYYSQXSVEFHNSR-ZMOGYAJESA-N 0 0 422.872 5.109 40 30 HKEBRN COc1ccc(C(=O)/C=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)cc1 ZINC000408656428 558558209 /nfs/dbraw/zinc/55/82/09/558558209.db2.gz MINDLLRZJAVLBA-XNTDXEJSSA-N 0 0 401.893 6.248 40 30 HKEBRN CCOc1cc(/C=C/C(=O)c2ccc(OC)cc2)ccc1OCc1ccc(Cl)cc1 ZINC000408656906 558558381 /nfs/dbraw/zinc/55/83/81/558558381.db2.gz HVAKSHXKYMVICS-MKMNVTDBSA-N 0 0 422.908 6.222 40 30 HKEBRN CCOc1cc(/C=C/C(=O)c2ccc(OC)cc2)cc(Br)c1OCC ZINC000408657566 558559183 /nfs/dbraw/zinc/55/91/83/558559183.db2.gz ILFAMNGFPXOMMV-IZZDOVSWSA-N 0 0 405.288 5.151 40 30 HKEBRN COc1ccc(Cl)cc1-n1c(C)cc(C=NNc2nc3ccccc3n2C)c1C ZINC000408657888 557641185 /nfs/dbraw/zinc/64/11/85/557641185.db2.gz NSTZGXKLLCJJLT-ZMOGYAJESA-N 0 0 407.905 5.089 40 30 HKEBRN COc1ccc(C(=O)/C=C/c2ccccc2OCc2ccc(Br)cc2)cc1 ZINC000408660890 558560753 /nfs/dbraw/zinc/56/07/53/558560753.db2.gz LXDKTHFWGFQQDB-XNTDXEJSSA-N 0 0 423.306 5.933 40 30 HKEBRN COc1ccc(C(=O)/C=C/c2ccc(OCc3cccc4ccccc43)c(OC)c2)cc1 ZINC000408661925 558560684 /nfs/dbraw/zinc/56/06/84/558560684.db2.gz MDSSWTVTFUXYMR-MHWRWJLKSA-N 0 0 424.496 6.332 40 30 HKEBRN COc1ccc(C(=O)/C=C/c2ccc(OCc3ccc(Br)cc3)cc2)cc1 ZINC000408667192 558559468 /nfs/dbraw/zinc/55/94/68/558559468.db2.gz QLLNPGDCIVSYDC-GIDUJCDVSA-N 0 0 423.306 5.933 40 30 HKEBRN CCCCCCCCCCCC(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1 ZINC000408667547 557656547 /nfs/dbraw/zinc/65/65/47/557656547.db2.gz BMQPMENYWJVPGE-UHFFFAOYSA-N 0 0 420.553 6.347 40 30 HKEBRN COc1ccc(C(=O)/C=C/c2cc(C)n(-c3ccc(C)c(Br)c3)c2C)cc1 ZINC000408668320 558559733 /nfs/dbraw/zinc/55/97/33/558559733.db2.gz VZWQYNGNQSEOJU-XYOKQWHBSA-N 0 0 424.338 6.070 40 30 HKEBRN CCCCCCCCCCCC(=O)Nc1ccc(C(=O)N2CCC(C)CC2)cc1 ZINC000408668916 558559683 /nfs/dbraw/zinc/55/96/83/558559683.db2.gz FYNRMSNRLUGLJQ-UHFFFAOYSA-N 0 0 400.607 6.418 40 30 HKEBRN CCCCCCCCCCCC(=O)Nc1cccc(N2C(=O)c3ccccc3C2=O)c1 ZINC000408669985 558560833 /nfs/dbraw/zinc/56/08/33/558560833.db2.gz HTAVVVLCKZXURK-UHFFFAOYSA-N 0 0 420.553 6.347 40 30 HKEBRN Cn1c2ccccc2nc1NN=Cc1cn(Cc2ccccc2Cl)c2ccccc12 ZINC000408670812 558560968 /nfs/dbraw/zinc/56/09/68/558560968.db2.gz YJNUAAXANBZZBU-VULFUBBASA-N 0 0 413.912 5.676 40 30 HKEBRN CCCCCCCCCCCC(=O)Nc1ccc(NC(=O)c2ccc(C)cc2)cc1 ZINC000408671846 558560920 /nfs/dbraw/zinc/56/09/20/558560920.db2.gz LPNLKOAAMHSMPA-UHFFFAOYSA-N 0 0 408.586 7.107 40 30 HKEBRN COc1ccc(C(=O)/C=C/c2ccccc2OCc2ccc(Cl)cc2Cl)cc1 ZINC000408672508 557669049 /nfs/dbraw/zinc/66/90/49/557669049.db2.gz VFMPBGYQOPGFRC-UKTHLTGXSA-N 0 0 413.300 6.477 40 30 HKEBRN CCCCCCCCCCCC(=O)Nc1cccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 ZINC000408673432 558561227 /nfs/dbraw/zinc/56/12/27/558561227.db2.gz SCLJXLOFOJEVPR-DHIUTWEWSA-N 0 0 424.585 6.002 40 30 HKEBRN CCCCCCCCCCCC(=O)Nc1cccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 ZINC000408673436 558561140 /nfs/dbraw/zinc/56/11/40/558561140.db2.gz SCLJXLOFOJEVPR-GOTSBHOMSA-N 0 0 424.585 6.002 40 30 HKEBRN CCCCCCCCCCCC(=O)Nc1cccc(N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1 ZINC000408673438 558561193 /nfs/dbraw/zinc/56/11/93/558561193.db2.gz SCLJXLOFOJEVPR-ZRZAMGCNSA-N 0 0 424.585 6.002 40 30 HKEBRN CCCCCCCCCCCC(=O)Nc1cccc(NC(=O)c2cccs2)c1 ZINC000408673744 558561157 /nfs/dbraw/zinc/56/11/57/558561157.db2.gz UTBIAPJAHOHFOX-UHFFFAOYSA-N 0 0 400.588 6.860 40 30 HKEBRN CCCCCCCCCCCC(=O)Nc1ccc(C(=O)NC[C@H]2CCCO2)cc1 ZINC000408673809 558561119 /nfs/dbraw/zinc/56/11/19/558561119.db2.gz VPCKPTFSRPGULV-JOCHJYFZSA-N 0 0 402.579 5.455 40 30 HKEBRN CCCCCCCCCCCC(=O)Nc1ccc(C(=O)NC[C@@H]2CCCO2)cc1 ZINC000408673810 558561211 /nfs/dbraw/zinc/56/12/11/558561211.db2.gz VPCKPTFSRPGULV-QFIPXVFZSA-N 0 0 402.579 5.455 40 30 HKEBRN CCCCCCCCCCCC(=O)Nc1cccc(C(=O)N2CCC(C)CC2)c1 ZINC000408673958 557670968 /nfs/dbraw/zinc/67/09/68/557670968.db2.gz WLMIBCPQUGSEFP-UHFFFAOYSA-N 0 0 400.607 6.418 40 30 HKEBRN CCCCCCCCCCCC(=O)Nc1ccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1 ZINC000408674120 558561095 /nfs/dbraw/zinc/56/10/95/558561095.db2.gz XNGUCFCCKNDSNN-DHIUTWEWSA-N 0 0 424.585 6.002 40 30 HKEBRN CCCCCCCCCCCC(=O)Nc1ccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1 ZINC000408674122 558561128 /nfs/dbraw/zinc/56/11/28/558561128.db2.gz XNGUCFCCKNDSNN-GOTSBHOMSA-N 0 0 424.585 6.002 40 30 HKEBRN CCCCCCCCCCCC(=O)Nc1ccc(N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)cc1 ZINC000408674124 558561233 /nfs/dbraw/zinc/56/12/33/558561233.db2.gz XNGUCFCCKNDSNN-ZRZAMGCNSA-N 0 0 424.585 6.002 40 30 HKEBRN CCCCCCCCCCCC(=O)N1[C@@H](C(=O)c2ccccc2)[C@H]1c1ccccc1 ZINC000408678626 557686972 /nfs/dbraw/zinc/68/69/72/557686972.db2.gz FWFVRJATXGFADH-AQTMLSCTSA-N 0 0 405.582 6.742 40 30 HKEBRN CCCCCCCCCCCC(=O)N1[C@H](c2ccccc2)[C@H]1C(=O)c1ccccc1 ZINC000408678630 558561722 /nfs/dbraw/zinc/56/17/22/558561722.db2.gz FWFVRJATXGFADH-OQKNHUCHSA-N 0 0 405.582 6.742 40 30 HKEBRN CCCCCCCCCCCC(=O)N1[C@H](C(=O)c2ccccc2)[C@@H]1c1ccccc1 ZINC000408678633 558561756 /nfs/dbraw/zinc/56/17/56/558561756.db2.gz FWFVRJATXGFADH-QIELNMHASA-N 0 0 405.582 6.742 40 30 HKEBRN CCCCCCCCCCCC(=O)N1[C@@H](C(=O)c2ccccc2)[C@@H]1c1ccccc1 ZINC000408678635 558561731 /nfs/dbraw/zinc/56/17/31/558561731.db2.gz FWFVRJATXGFADH-VEPNZUSMSA-N 0 0 405.582 6.742 40 30 HKEBRN CCCCCCCCCCCC(=O)Nc1cccc(NC(=O)CCc2ccccc2)c1 ZINC000408681002 557686732 /nfs/dbraw/zinc/68/67/32/557686732.db2.gz ISXKXCSKOSDZPC-UHFFFAOYSA-N 0 0 422.613 7.117 40 30 HKEBRN CCCCCCCCCCCC(=O)Nc1ccc(NC(=O)CCc2ccccc2)cc1 ZINC000408684286 558563267 /nfs/dbraw/zinc/56/32/67/558563267.db2.gz OQGPOXFNDSNSQF-UHFFFAOYSA-N 0 0 422.613 7.117 40 30 HKEBRN CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OCc1cccc2ccccc21 ZINC000408691602 558564770 /nfs/dbraw/zinc/56/47/70/558564770.db2.gz HUQLSZOSSLPNKH-GHRIWEEISA-N 0 0 422.524 7.022 40 30 HKEBRN Cc1ccc(C(=O)/C=C/c2ccccc2OCc2ccc(Br)cc2)cc1 ZINC000408691671 558564711 /nfs/dbraw/zinc/56/47/11/558564711.db2.gz LAYNCTPGULBCFC-NTCAYCPXSA-N 0 0 407.307 6.233 40 30 HKEBRN Cc1ccc(C(=O)/C=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)cc1 ZINC000408691697 558564764 /nfs/dbraw/zinc/56/47/64/558564764.db2.gz MJQYGKJGILCPMY-WUXMJOGZSA-N 0 0 404.378 5.500 40 30 HKEBRN CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408691730 558564705 /nfs/dbraw/zinc/56/47/05/558564705.db2.gz NZXUHJVBQUEKBN-RIYZIHGNSA-N 0 0 417.461 5.777 40 30 HKEBRN CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1 ZINC000408691789 558564729 /nfs/dbraw/zinc/56/47/29/558564729.db2.gz QCVJASMYXYMMEJ-RIYZIHGNSA-N 0 0 406.909 6.522 40 30 HKEBRN COc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OCc1cccc2ccccc21 ZINC000408691804 558564754 /nfs/dbraw/zinc/56/47/54/558564754.db2.gz QWMLFPCIIYVWRU-FOWTUZBSSA-N 0 0 408.497 6.632 40 30 HKEBRN Cc1ccc(C(=O)/C=C/c2ccc(OCc3ccc(Br)cc3)cc2)cc1 ZINC000408691805 558564719 /nfs/dbraw/zinc/56/47/19/558564719.db2.gz QWVFLNSLLWZWGY-OVCLIPMQSA-N 0 0 407.307 6.233 40 30 HKEBRN CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OCc1ccccc1Cl ZINC000408691809 558564741 /nfs/dbraw/zinc/56/47/41/558564741.db2.gz RBOPFQKFERBVLA-GXDHUFHOSA-N 0 0 406.909 6.522 40 30 HKEBRN Cc1ccc(C(=O)/C=C/c2ccc(-c3ccc(Br)cc3[N+](=O)[O-])o2)cc1 ZINC000408691881 558564738 /nfs/dbraw/zinc/56/47/38/558564738.db2.gz VVKCRXDLGKVVDT-JXMROGBWSA-N 0 0 412.239 5.822 40 30 HKEBRN Cc1cc(/C=C/C(=O)c2ccc(C)cc2)c(C)n1-c1cccc(C(=O)OC(C)C)c1 ZINC000408691971 558564950 /nfs/dbraw/zinc/56/49/50/558564950.db2.gz ADIBXEDGOAZXGF-BUHFOSPRSA-N 0 0 401.506 5.864 40 30 HKEBRN CCn1c2ccccc2nc1NN=Cc1cc(C)n(-c2cccc3ccccc32)c1C ZINC000408691977 558564996 /nfs/dbraw/zinc/56/49/96/558564996.db2.gz AHNHDKQKDVPTBL-WPWMEQJKSA-N 0 0 407.521 6.063 40 30 HKEBRN CCn1c2ccccc2[nH]c1=NN=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000408692007 558565036 /nfs/dbraw/zinc/56/50/36/558565036.db2.gz BEHMKHQMNFYUMU-WSDLNYQXSA-N 0 0 409.833 5.324 40 30 HKEBRN CCOC(=O)Cc1ccc(-n2c(C)cc(/C=C/C(=O)c3ccc(C)cc3)c2C)cc1 ZINC000408692008 558565023 /nfs/dbraw/zinc/56/50/23/558565023.db2.gz BEKJILOUNLINPQ-NTCAYCPXSA-N 0 0 401.506 5.404 40 30 HKEBRN Cc1cc(/C=C/C(=O)c2ccc(C)cc2)c(C)n1-c1ccc(C)c(Br)c1 ZINC000408692016 558564980 /nfs/dbraw/zinc/56/49/80/558564980.db2.gz BIULXLXZFZZQJA-ZRDIBKRKSA-N 0 0 408.339 6.370 40 30 HKEBRN CCn1c2ccccc2[nH]c1=NN=Cc1ccc(-c2ccc(Cl)c(C(=O)OC)c2)o1 ZINC000408692037 558565017 /nfs/dbraw/zinc/56/50/17/558565017.db2.gz BVOQZIFTSVXYCU-ZMOGYAJESA-N 0 0 422.872 5.202 40 30 HKEBRN Cc1cc(/C=C/C(=O)c2ccc(C)cc2)c(C)n1-c1ccc(C(=O)OC(C)C)cc1 ZINC000408692066 558565027 /nfs/dbraw/zinc/56/50/27/558565027.db2.gz CRCRMUYBTNGMJG-NTCAYCPXSA-N 0 0 401.506 5.864 40 30 HKEBRN CCn1c2ccccc2nc1NN=Cc1ccccc1OCc1cccc(Cl)c1 ZINC000408692074 558565003 /nfs/dbraw/zinc/56/50/03/558565003.db2.gz CUTGYLBTWFTRCA-MFKUBSTISA-N 0 0 404.901 5.735 40 30 HKEBRN Cc1ccc(C(=O)/C=C/c2c(OCc3ccc(Cl)cc3)ccc3ccccc32)cc1 ZINC000408692087 558565051 /nfs/dbraw/zinc/56/50/51/558565051.db2.gz DCQYXWASVXEOPL-FOCLMDBBSA-N 0 0 412.916 7.277 40 30 HKEBRN CCn1c2ccccc2nc1NN=Cc1ccccc1OCc1ccccc1Cl ZINC000408692113 558564962 /nfs/dbraw/zinc/56/49/62/558564962.db2.gz DRVNTYJSHQYVFM-MFKUBSTISA-N 0 0 404.901 5.735 40 30 HKEBRN CCn1c2ccccc2nc1NN=Cc1cc(C)n(-c2cc([N+](=O)[O-])ccc2C)c1C ZINC000408692162 558565042 /nfs/dbraw/zinc/56/50/42/558565042.db2.gz FXOAXJDDVRVHLH-ZVHZXABRSA-N 0 0 416.485 5.126 40 30 HKEBRN CCOc1ccc(-n2c(C)cc(C=NNc3nc4ccccc4n3CC)c2C)cc1 ZINC000408692197 558565010 /nfs/dbraw/zinc/56/50/10/558565010.db2.gz GVRMGZWIPPXAIA-PCLIKHOPSA-N 0 0 401.514 5.308 40 30 HKEBRN CCn1c2ccccc2nc1NN=Cc1cc(C)n(-c2cc(Cl)ccc2C)c1C ZINC000408692235 558565185 /nfs/dbraw/zinc/56/51/85/558565185.db2.gz IAQGAMZPASOTEZ-AFUMVMLFSA-N 0 0 405.933 5.872 40 30 HKEBRN CCn1c2ccccc2nc1NN=Cc1ccc(OCc2ccccc2)c(OC)c1 ZINC000408692242 558565265 /nfs/dbraw/zinc/56/52/65/558565265.db2.gz IESKKAGXQNWION-PCLIKHOPSA-N 0 0 400.482 5.090 40 30 HKEBRN Cc1ccc(C(=O)/C=C/c2cn(Cc3cccc4ccccc43)c3ccccc23)cc1 ZINC000408692252 558565191 /nfs/dbraw/zinc/56/51/91/558565191.db2.gz INZBFQGBRGPNSW-ISLYRVAYSA-N 0 0 401.509 7.047 40 30 HKEBRN CCn1c2ccccc2nc1NN=Cc1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000408692308 558565398 /nfs/dbraw/zinc/56/53/98/558565398.db2.gz JNEFSDHOPIWRNN-MFKUBSTISA-N 0 0 404.901 5.735 40 30 HKEBRN CCn1c2ccccc2nc1N=NCc1ccc(OCc2cccc3ccccc32)cc1 ZINC000408692316 558565471 /nfs/dbraw/zinc/56/54/71/558565471.db2.gz JQRNQIBOYXGSHT-MTDXEUNCSA-N 0 0 420.516 6.234 40 30 HKEBRN CCn1c2ccccc2[nH]c1=NN=Cc1cn(-c2ccccc2)nc1-c1ccc(C)o1 ZINC000408692356 558565406 /nfs/dbraw/zinc/56/54/06/558565406.db2.gz KQDYKKGGYUGDTG-MFKUBSTISA-N 0 0 410.481 5.256 40 30 HKEBRN CCn1c2ccccc2[nH]c1=NN=Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000408692409 558565681 /nfs/dbraw/zinc/56/56/81/558565681.db2.gz LXXVUPSPIDAPSQ-WSDLNYQXSA-N 0 0 409.833 5.324 40 30 HKEBRN Cc1ccc(C(=O)/C=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)cc1 ZINC000408692414 558565687 /nfs/dbraw/zinc/56/56/87/558565687.db2.gz LZBLAWFKOILIEW-ACCUITESSA-N 0 0 420.339 7.201 40 30 HKEBRN CCn1c2ccccc2nc1NN=Cc1ccccc1OCc1cccc2ccccc21 ZINC000408692440 558565824 /nfs/dbraw/zinc/56/58/24/558565824.db2.gz MOBWYLFWRYWQLH-MTDXEUNCSA-N 0 0 420.516 6.234 40 30 HKEBRN CCn1c2ccccc2[nH]c1=NN=Cc1ccc(-c2ccc(Br)cc2)o1 ZINC000408692493 558565941 /nfs/dbraw/zinc/56/59/41/558565941.db2.gz NRWSYJPRJGBIJE-LPYMAVHISA-N 0 0 409.287 5.525 40 30 HKEBRN CCn1c2ccccc2nc1NN=Cc1cn(Cc2ccc(F)cc2)c2ccccc12 ZINC000408692538 558565966 /nfs/dbraw/zinc/56/59/66/558565966.db2.gz OQHIZMGRWINLHY-JFLMPSFJSA-N 0 0 411.484 5.644 40 30 HKEBRN CCn1c2ccccc2nc1NN=Cc1ccccc1OCc1ccc(Cl)cc1 ZINC000408692541 558565916 /nfs/dbraw/zinc/56/59/16/558565916.db2.gz OVUXSCMFTLXMRN-MFKUBSTISA-N 0 0 404.901 5.735 40 30 HKEBRN CCn1c2ccccc2nc1NN=Cc1cccc(OCc2ccc(Cl)cc2)c1 ZINC000408692546 558565845 /nfs/dbraw/zinc/56/58/45/558565845.db2.gz OYPGNUKAKIXZBA-MFKUBSTISA-N 0 0 404.901 5.735 40 30 HKEBRN CCn1c2ccccc2[nH]c1=NN=Cc1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000408692555 558565832 /nfs/dbraw/zinc/56/58/32/558565832.db2.gz PFXNMLRTXLQQLL-WSDLNYQXSA-N 0 0 409.833 5.324 40 30 HKEBRN Cc1cc(/C=C/C(=O)c2ccc(C)cc2)c(C)n1-c1ccccc1C(=O)OC(C)C ZINC000408692565 558565853 /nfs/dbraw/zinc/56/58/53/558565853.db2.gz PKOUSYIQKDLHED-CCEZHUSRSA-N 0 0 401.506 5.864 40 30 HKEBRN CCn1c2ccccc2nc1NN=Cc1cc(C)n(-c2cc(Cl)ccc2OC)c1C ZINC000408692593 558565816 /nfs/dbraw/zinc/56/58/16/558565816.db2.gz QFAAYJMMDQUYAG-AFUMVMLFSA-N 0 0 421.932 5.572 40 30 HKEBRN CCn1c2ccccc2nc1NN=Cc1cn(Cc2ccccc2C)c2ccccc12 ZINC000408692617 558565935 /nfs/dbraw/zinc/56/59/35/558565935.db2.gz QSLKHYNMAXDYFG-JVWAILMASA-N 0 0 407.521 5.814 40 30 HKEBRN Cc1ccc(C(=O)/C=C/c2cccc(OCc3ccc(Br)cc3)c2)cc1 ZINC000408692640 558565878 /nfs/dbraw/zinc/56/58/78/558565878.db2.gz RKGMOIPBZSNZKF-NTEUORMPSA-N 0 0 407.307 6.233 40 30 HKEBRN Cc1ccc(C(=O)/C=C/c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)cc1 ZINC000408692662 558565962 /nfs/dbraw/zinc/56/59/62/558565962.db2.gz RUQXUGNNEBVWDA-ACCUITESSA-N 0 0 420.339 7.201 40 30 HKEBRN CCOc1cc(C=NNc2nc3ccccc3n2CC)ccc1OCc1ccccc1 ZINC000408692689 558565839 /nfs/dbraw/zinc/56/58/39/558565839.db2.gz SESMFTIHWRUGQD-YZSQISJMSA-N 0 0 414.509 5.480 40 30 HKEBRN CCn1c2ccccc2[nH]c1=NN=Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000408692712 558565928 /nfs/dbraw/zinc/56/59/28/558565928.db2.gz SPJGADUVOOGDHQ-BUVRLJJBSA-N 0 0 412.522 5.416 40 30 HKEBRN CCn1c2ccccc2[nH]c1=NN=Cc1ccc(-c2ccc(C)c(Br)c2)o1 ZINC000408692713 558565897 /nfs/dbraw/zinc/56/58/97/558565897.db2.gz SPQMUTMSLLVZRH-YDZHTSKRSA-N 0 0 423.314 5.833 40 30 HKEBRN CCn1c2ccccc2nc1NN=Cc1cn(Cc2ccccc2C#N)c2ccccc12 ZINC000408692775 558565862 /nfs/dbraw/zinc/56/58/62/558565862.db2.gz VBPBRDYFNNQRRF-LQKURTRISA-N 0 0 418.504 5.377 40 30 HKEBRN CCn1c2ccccc2nc1NN=Cc1ccc(OCc2ccccc2Cl)cc1 ZINC000408692843 558565904 /nfs/dbraw/zinc/56/59/04/558565904.db2.gz WRNPKGFVKHXPCO-MFKUBSTISA-N 0 0 404.901 5.735 40 30 HKEBRN CCn1c2ccccc2nc1NN=Cc1cccc(OCc2cccc3ccccc32)c1 ZINC000408692879 558565922 /nfs/dbraw/zinc/56/59/22/558565922.db2.gz XMTFSNCQFFOYGR-MTDXEUNCSA-N 0 0 420.516 6.234 40 30 HKEBRN CCn1c2ccccc2[nH]c1=NN=Cc1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 ZINC000408692893 558565910 /nfs/dbraw/zinc/56/59/10/558565910.db2.gz XTVIGOCYOHEIJD-WSDLNYQXSA-N 0 0 409.833 5.324 40 30 HKEBRN CCn1c2ccccc2nc1NN=Cc1cn(Cc2ccc(C)cc2)c2ccccc12 ZINC000408692895 558565856 /nfs/dbraw/zinc/56/58/56/558565856.db2.gz XUNJHGFMEXIXHN-JVWAILMASA-N 0 0 407.521 5.814 40 30 HKEBRN CCn1c2ccccc2nc1NN=Cc1cccc(OCc2ccccc2Cl)c1 ZINC000408692906 558565975 /nfs/dbraw/zinc/56/59/75/558565975.db2.gz YCPGAHASTTUYFF-MFKUBSTISA-N 0 0 404.901 5.735 40 30 HKEBRN CCn1c2ccccc2nc1NN=Cc1cc(C)n(-c2ccc(C)c(Cl)c2)c1C ZINC000408692928 558565889 /nfs/dbraw/zinc/56/58/89/558565889.db2.gz YRSJZXHVACNAGR-AFUMVMLFSA-N 0 0 405.933 5.872 40 30 HKEBRN C=CCc1cc(C(=O)NCCSCc2c(Cl)cccc2Cl)ccc1OC ZINC000408703833 558578323 /nfs/dbraw/zinc/57/83/23/558578323.db2.gz YYEJZDKTAWCRQQ-UHFFFAOYSA-N 0 0 410.366 5.394 40 30 HKEBRN C=CCc1cc(C(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)ccc1OC ZINC000408705621 558582862 /nfs/dbraw/zinc/58/28/62/558582862.db2.gz KDHKFDLNIYHJRD-GOSISDBHSA-N 0 0 414.505 5.167 40 30 HKEBRN C=CCc1cc(C(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)ccc1OC ZINC000408705622 558582889 /nfs/dbraw/zinc/58/28/89/558582889.db2.gz KDHKFDLNIYHJRD-SFHVURJKSA-N 0 0 414.505 5.167 40 30 HKEBRN C=CCc1cc(C(=O)NCCSCc2ccc(Cl)c(Cl)c2)ccc1OC ZINC000408705778 558582901 /nfs/dbraw/zinc/58/29/01/558582901.db2.gz NFBIIWRCDLORIA-UHFFFAOYSA-N 0 0 410.366 5.394 40 30 HKEBRN C=CCc1cc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)ccc1OC ZINC000408705931 558583006 /nfs/dbraw/zinc/58/30/06/558583006.db2.gz QNZNBXRMEDRRHW-UHFFFAOYSA-N 0 0 405.881 5.560 40 30 HKEBRN C=CCc1cc(C(=O)Nc2ccc(CSc3ccccc3)cc2C)ccc1OC ZINC000408706152 558583115 /nfs/dbraw/zinc/58/31/15/558583115.db2.gz WEFWENBFYWBCIS-UHFFFAOYSA-N 0 0 403.547 6.277 40 30 HKEBRN CCCCCCCCCCNC(=O)C(=O)NCC(c1ccccc1)c1ccccc1 ZINC000408706600 557732081 /nfs/dbraw/zinc/73/20/81/557732081.db2.gz AHCNKMKFSMNAHE-UHFFFAOYSA-N 0 0 408.586 5.192 40 30 HKEBRN CCCCCCCCCCCCNC(=O)C(=O)Nc1ccc(Br)cc1 ZINC000408707060 558583108 /nfs/dbraw/zinc/58/31/08/558583108.db2.gz IZJNMRQVFKPUES-UHFFFAOYSA-N 0 0 411.384 5.425 40 30 HKEBRN CCCCCCCCCCCCNC(=O)C(=O)Nc1ccccc1Br ZINC000408707603 558583122 /nfs/dbraw/zinc/58/31/22/558583122.db2.gz OZPQKFNSYPVNJP-UHFFFAOYSA-N 0 0 411.384 5.425 40 30 HKEBRN CCCCCCCCCCCCNC(=O)C(=O)Nc1ccc(Cl)cc1Cl ZINC000408707924 558583020 /nfs/dbraw/zinc/58/30/20/558583020.db2.gz SVLFFUIGVRGSMO-UHFFFAOYSA-N 0 0 401.378 5.969 40 30 HKEBRN CCCCCCCCCCCCNC(=O)C(=O)Nc1cccc(Br)c1 ZINC000408708379 558583345 /nfs/dbraw/zinc/58/33/45/558583345.db2.gz YPYWWFAEWIDIHM-UHFFFAOYSA-N 0 0 411.384 5.425 40 30 HKEBRN CCCCCCCCCCCCNC(=O)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000408708418 558583349 /nfs/dbraw/zinc/58/33/49/558583349.db2.gz ZNOJPUGUFBCQRK-UHFFFAOYSA-N 0 0 401.378 5.969 40 30 HKEBRN CCCCCCCCCCNC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000408708668 558583334 /nfs/dbraw/zinc/58/33/34/558583334.db2.gz KIDGZIMWXHTTSI-UHFFFAOYSA-N 0 0 406.876 5.554 40 30 HKEBRN CCCCCCCCCCNC(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000408708701 558583290 /nfs/dbraw/zinc/58/32/90/558583290.db2.gz LCSHDLXCQSWXTA-UHFFFAOYSA-N 0 0 406.876 5.554 40 30 HKEBRN CCCCCCCCCCCCNC(=O)C(=O)Nc1ccc(OCC(C)C)cc1 ZINC000408708739 558583298 /nfs/dbraw/zinc/58/32/98/558583298.db2.gz LYFAVLLUVVCUGK-UHFFFAOYSA-N 0 0 404.595 5.697 40 30 HKEBRN CCCCCCCCCCCCNC(=O)C(=O)Nc1ccccc1C(F)(F)F ZINC000408709642 558583293 /nfs/dbraw/zinc/58/32/93/558583293.db2.gz VXYBDOMZJBULHF-UHFFFAOYSA-N 0 0 400.485 5.681 40 30 HKEBRN C[C@@H]1Cc2cc(/C=C3/S/C(=N\c4ccccc4)N(c4ccccc4)C3=O)ccc2O1 ZINC000408710936 558583545 /nfs/dbraw/zinc/58/35/45/558583545.db2.gz YVFXDVWCFWGNII-HAWIIJGWSA-N 0 0 412.514 5.819 40 30 HKEBRN C[C@H]1Cc2cc(/C=C3/S/C(=N\c4ccccc4)N(c4ccccc4)C3=O)ccc2O1 ZINC000408710937 558583613 /nfs/dbraw/zinc/58/36/13/558583613.db2.gz YVFXDVWCFWGNII-NYOLZVMQSA-N 0 0 412.514 5.819 40 30 HKEBRN Oc1ccc(Br)cc1/C=N/c1ccc(-c2nnc(-c3ccccc3)o2)cc1 ZINC000408718068 558585757 /nfs/dbraw/zinc/58/57/57/558585757.db2.gz GXRDJSRRSDHGSV-YDZHTSKRSA-N 0 0 420.266 5.622 40 30 HKEBRN CCOC(=O)c1ccc(-c2ccc(/C=C3/Sc4ccccc4C3=O)o2)c([N+](=O)[O-])c1 ZINC000408718119 558585776 /nfs/dbraw/zinc/58/57/76/558585776.db2.gz KNLRBYMKBXFKKA-UDWIEESQSA-N 0 0 421.430 5.361 40 30 HKEBRN Brc1ccc(/C=N/c2ccc(-c3nnc(-c4ccccc4)o3)cc2)cc1 ZINC000408718338 558585783 /nfs/dbraw/zinc/58/57/83/558585783.db2.gz SPCPWVBDSMKJDZ-OEAKJJBVSA-N 0 0 404.267 5.917 40 30 HKEBRN CCCCOc1ccc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000408718479 558585747 /nfs/dbraw/zinc/58/57/47/558585747.db2.gz ZOJDVDCVJFRYLH-UHFFFAOYSA-N 0 0 422.565 6.266 40 30 HKEBRN O=C(/C=C/c1ccc(Br)cc1)c1cccc(N2Cc3ccccc3C2)c1 ZINC000408718619 558585780 /nfs/dbraw/zinc/58/57/80/558585780.db2.gz KFTLOKPVMPIVAH-JLHYYAGUSA-N 0 0 404.307 5.865 40 30 HKEBRN CCOc1ccc(/C=C2/SC(=Nc3ccccc3Cl)NC2=O)c(OCC)c1 ZINC000408719064 558585785 /nfs/dbraw/zinc/58/57/85/558585785.db2.gz AKGWNWPDYJKTKG-WOJGMQOQSA-N 0 0 402.903 5.029 40 30 HKEBRN O=[N+]([O-])c1ccc(-c2nc3ccccn3c2/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000408719163 558585740 /nfs/dbraw/zinc/58/57/40/558585740.db2.gz IIFATVLLRRNSEM-WSDLNYQXSA-N 0 0 421.800 5.222 40 30 HKEBRN CC(=O)C1=C(C)N=C2SCC(=O)N2[C@@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000408719167 558585768 /nfs/dbraw/zinc/58/57/68/558585768.db2.gz IUGUYNGSWAKRGR-GOSISDBHSA-N 0 0 421.305 5.103 40 30 HKEBRN CC(=O)C1=C(C)N=C2SCC(=O)N2[C@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000408719168 558585744 /nfs/dbraw/zinc/58/57/44/558585744.db2.gz IUGUYNGSWAKRGR-SFHVURJKSA-N 0 0 421.305 5.103 40 30 HKEBRN COc1cc(/C=N/c2oc(C)c(C)c2C#N)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408719226 558585754 /nfs/dbraw/zinc/58/57/54/558585754.db2.gz NVZYCTCRUVLGOM-WYMPLXKRSA-N 0 0 405.410 5.015 40 30 HKEBRN COc1ccc(-c2ccc(/C=N/c3sc4c(c3C#N)CCCC4)o2)c([N+](=O)[O-])c1 ZINC000408719457 558586008 /nfs/dbraw/zinc/58/60/08/558586008.db2.gz DTAJCOXNHXIQBE-FSJBWODESA-N 0 0 407.451 5.426 40 30 HKEBRN Cc1nc2sc3c(c2c(=O)n1/N=C/c1ccc(-c2ccc(Cl)cc2)o1)CCCC3 ZINC000408719521 558585911 /nfs/dbraw/zinc/58/59/11/558585911.db2.gz RPBHCIYPQLPYKI-WYMPLXKRSA-N 0 0 423.925 5.441 40 30 HKEBRN Cc1nc2sc3c(c2c(=O)n1/N=C/c1ccc(-c2cccc(Cl)c2)o1)CCCC3 ZINC000408719560 558585898 /nfs/dbraw/zinc/58/58/98/558585898.db2.gz VWHPIGWXFIBMLB-WYMPLXKRSA-N 0 0 423.925 5.441 40 30 HKEBRN Cc1cccc(C)c1/N=C1\S/C(=C\c2ccc(Cl)cc2)C(=O)N1c1ccccc1 ZINC000408720049 558583827 /nfs/dbraw/zinc/58/38/27/558583827.db2.gz WHYKGNYNKYZZTE-BNUIPMERSA-N 0 0 418.949 6.765 40 30 HKEBRN Cc1cccc(C)c1/N=C1\S/C(=C\c2ccc(F)cc2)C(=O)N1c1ccccc1 ZINC000408720094 558583845 /nfs/dbraw/zinc/58/38/45/558583845.db2.gz XKUAMHAIBYRPMI-BNUIPMERSA-N 0 0 402.494 6.251 40 30 HKEBRN COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/c2sc3c(c2C#N)CCCC3)o1 ZINC000408720418 558584084 /nfs/dbraw/zinc/58/40/84/558584084.db2.gz OEBWCINPFWKNJW-FSJBWODESA-N 0 0 407.451 5.426 40 30 HKEBRN COc1cc(-c2nc3ccc(Br)cn3c2/N=C/c2ccccc2)ccc1O ZINC000408720684 558584367 /nfs/dbraw/zinc/58/43/67/558584367.db2.gz CFPYMSPXHUOZAA-FSJBWODESA-N 0 0 422.282 5.229 40 30 HKEBRN O=[N+]([O-])c1ccc(Cl)c(-c2ccc(/C=N/c3nnc(C(F)(F)F)s3)o2)c1 ZINC000408720776 558584446 /nfs/dbraw/zinc/58/44/46/558584446.db2.gz ZESFOLXICMYPSH-KPSZGOFPSA-N 0 0 402.741 5.129 40 30 HKEBRN Cc1ccc(C)c(N=C2NC(=O)/C(=C/c3cc([N+](=O)[O-])c(Cl)cc3Cl)S2)c1 ZINC000408720825 558585765 /nfs/dbraw/zinc/58/57/65/558585765.db2.gz DYFMKYAPFVMDCN-APSNUPSMSA-N 0 0 422.293 5.410 40 30 HKEBRN O=[N+]([O-])c1cccc(/C=N/c2c(-c3ccco3)nc3ccc(Br)cn32)c1 ZINC000408720869 557768789 /nfs/dbraw/zinc/76/87/89/557768789.db2.gz GNTIOTIRDVLOLH-KEBDBYFISA-N 0 0 411.215 5.016 40 30 HKEBRN ON=C(Nc1ccc(Cl)c(Cl)c1)C(=NO)Nc1ccc(Cl)c(Cl)c1 ZINC000408720908 558587658 /nfs/dbraw/zinc/58/76/58/558587658.db2.gz ASEBHGOHFBPSGO-UHFFFAOYSA-N 0 0 408.072 5.400 40 30 HKEBRN CCN(CC)c1ccc(/C=C2\SC(=Nc3cc(C)ccc3C)NC2=O)c(OC)c1 ZINC000408721041 558587689 /nfs/dbraw/zinc/58/76/89/558587689.db2.gz ISYHKDFVTVBQGK-BKUYFWCQSA-N 0 0 409.555 5.050 40 30 HKEBRN Clc1ccccc1/C=N/c1c(-c2ccco2)nc2ccc(Br)cn21 ZINC000408721162 557768966 /nfs/dbraw/zinc/76/89/66/557768966.db2.gz LREFWAZQBGVBMT-UFFVCSGVSA-N 0 0 400.663 5.761 40 30 HKEBRN CCCCCCCCCCCOC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1 ZINC000408721169 558587680 /nfs/dbraw/zinc/58/76/80/558587680.db2.gz DLIKFIJOBWLWJP-UHFFFAOYSA-N 0 0 421.537 6.175 40 30 HKEBRN Cc1ccccc1N=C1NC(=O)/C(=C/c2ccccc2OC(=O)c2ccccc2)S1 ZINC000408721399 558587634 /nfs/dbraw/zinc/58/76/34/558587634.db2.gz QKMCJXOSAXWOHS-QNGOZBTKSA-N 0 0 414.486 5.106 40 30 HKEBRN Cc1ccccc1N=C1NC(=O)/C(=C/c2cc([N+](=O)[O-])c(Cl)cc2Cl)S1 ZINC000408721477 558587654 /nfs/dbraw/zinc/58/76/54/558587654.db2.gz RGDJBMZMQBSXTJ-CHHVJCJISA-N 0 0 408.266 5.102 40 30 HKEBRN Clc1ccc(/C=N/c2c(-c3ccco3)nc3ccc(Br)cn32)cc1 ZINC000408721494 558587561 /nfs/dbraw/zinc/58/75/61/558587561.db2.gz RSBPPVCZYKRWMZ-UFFVCSGVSA-N 0 0 400.663 5.761 40 30 HKEBRN CCN(CC)c1ccc(/C=C2\SC(=Nc3ccc(C)cc3C)NC2=O)c(OC)c1 ZINC000408721579 558587691 /nfs/dbraw/zinc/58/76/91/558587691.db2.gz UZCOPULBGAXRAG-BKUYFWCQSA-N 0 0 409.555 5.050 40 30 HKEBRN O=[N+]([O-])c1ccc(/C=N/c2c(-c3ccco3)nc3ccc(Br)cn32)cc1 ZINC000408721803 558588262 /nfs/dbraw/zinc/58/82/62/558588262.db2.gz YZUZSXVXVPTCNW-KEBDBYFISA-N 0 0 411.215 5.016 40 30 HKEBRN COc1ccc(-c2nc(/N=C/c3ccc([N+](=O)[O-])cc3)sc2-c2ccccc2)cc1 ZINC000408721850 558588299 /nfs/dbraw/zinc/58/82/99/558588299.db2.gz ANGQGFUHCPBRJJ-BUVRLJJBSA-N 0 0 415.474 6.145 40 30 HKEBRN Cc1ccc(/C(Cc2ccc([N+](=O)[O-])cc2)=N\OC(=O)c2cccc(F)c2)c(C)c1 ZINC000408721856 557770882 /nfs/dbraw/zinc/77/08/82/557770882.db2.gz APQOBMQBJUSYEZ-LVWGJNHUSA-N 0 0 406.413 5.155 40 30 HKEBRN COc1cc(/C=N/c2nc(-c3ccc(Cl)cc3)c(-c3ccccc3)s2)ccc1O ZINC000408721883 558588328 /nfs/dbraw/zinc/58/83/28/558588328.db2.gz AZNDYDGYYWEGDG-AFUMVMLFSA-N 0 0 420.921 6.595 40 30 HKEBRN COc1ccc(C(=O)O/N=C(/Cc2ccc([N+](=O)[O-])cc2)c2ccc(C)cc2C)cc1 ZINC000408721943 558588238 /nfs/dbraw/zinc/58/82/38/558588238.db2.gz BOUCRQUUFGIKKX-BZZOAKBMSA-N 0 0 418.449 5.024 40 30 HKEBRN COc1ccc2c(c1)-c1nc(/N=C/c3c(OC)ccc4ccccc43)sc1CC2 ZINC000408721967 558588275 /nfs/dbraw/zinc/58/82/75/558588275.db2.gz BTHSTLIKEOVRLY-AFUMVMLFSA-N 0 0 400.503 5.830 40 30 HKEBRN CCCCCCCCCCCOC(=O)c1cccc(N2C(=O)c3cccnc3C2=O)c1 ZINC000408721991 558588316 /nfs/dbraw/zinc/58/83/16/558588316.db2.gz NSBWBBVAECLMBR-UHFFFAOYSA-N 0 0 422.525 5.570 40 30 HKEBRN COc1ccc(-c2nc(/N=C/c3cccc(OC)c3)sc2-c2ccccc2)cc1 ZINC000408722033 558588499 /nfs/dbraw/zinc/58/84/99/558588499.db2.gz CFQPJZWLSHRLNJ-PCLIKHOPSA-N 0 0 400.503 6.245 40 30 HKEBRN COc1ccccc1C(=O)O/N=C(/Cc1ccc([N+](=O)[O-])cc1)c1ccc(C)cc1C ZINC000408722035 558588490 /nfs/dbraw/zinc/58/84/90/558588490.db2.gz CGVJJCHXNIVZIQ-LVWGJNHUSA-N 0 0 418.449 5.024 40 30 HKEBRN COc1ccc(-c2nc(/N=C/c3ccccc3OC)sc2-c2ccccc2)cc1 ZINC000408722059 558588552 /nfs/dbraw/zinc/58/85/52/558588552.db2.gz CSDSSLPQEZLGBA-PCLIKHOPSA-N 0 0 400.503 6.245 40 30 HKEBRN COc1ccc(-c2nc(/N=C/c3ccccc3Cl)sc2-c2ccccc2)cc1 ZINC000408722063 558588592 /nfs/dbraw/zinc/58/85/92/558588592.db2.gz CUUUSTLIMNKZBD-MFKUBSTISA-N 0 0 404.922 6.890 40 30 HKEBRN O=[N+]([O-])c1cccc(/C=N/c2nc(-c3ccc(Cl)cc3)c(-c3ccccc3)s2)c1 ZINC000408722073 558588521 /nfs/dbraw/zinc/58/85/21/558588521.db2.gz CYLAKYWTACZVSO-ZVHZXABRSA-N 0 0 419.893 6.789 40 30 HKEBRN COc1ccc(-c2nc(/N=C/c3ccc(O)c(OC)c3)sc2-c2ccccc2)cc1 ZINC000408722076 558588579 /nfs/dbraw/zinc/58/85/79/558588579.db2.gz CZIXQZPBWMOYTC-MFKUBSTISA-N 0 0 416.502 5.951 40 30 HKEBRN Cc1ccc(/C=N/c2nc(-c3ccc(C)cc3C)c(-c3ccc([N+](=O)[O-])cc3)s2)o1 ZINC000408722090 558588587 /nfs/dbraw/zinc/58/85/87/558588587.db2.gz DHEMQOKFLKWJNX-ZMOGYAJESA-N 0 0 417.490 6.654 40 30 HKEBRN Cc1ccc(-c2nc(/N=C/c3ccccn3)sc2-c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000408722108 558588565 /nfs/dbraw/zinc/58/85/65/558588565.db2.gz DUGULQBCRPIUFC-AFUMVMLFSA-N 0 0 414.490 6.148 40 30 HKEBRN COc1ccc(/C=N/c2nc(-c3ccc(C)cc3)c(-c3ccccc3)s2)c(OC)c1 ZINC000408722109 558588508 /nfs/dbraw/zinc/58/85/08/558588508.db2.gz DVFDYSLHVLRQLT-WGOQTCKBSA-N 0 0 414.530 6.553 40 30 HKEBRN COc1ccc2c(c1)OCc1sc(/N=C/c3c(OC)ccc4ccccc43)nc1-2 ZINC000408722117 558588512 /nfs/dbraw/zinc/58/85/12/558588512.db2.gz FANYBRIYHNSTKZ-WYMPLXKRSA-N 0 0 402.475 5.624 40 30 HKEBRN COc1ccccc1/C=N/c1nc(-c2ccc(Cl)cc2)c(-c2ccccc2)s1 ZINC000408722230 558588529 /nfs/dbraw/zinc/58/85/29/558588529.db2.gz FNSLRQGAXBEVOG-MFKUBSTISA-N 0 0 404.922 6.890 40 30 HKEBRN Clc1ccc(-c2nc(/N=C/c3ccccc3Cl)sc2-c2ccccc2)cc1 ZINC000408722277 558588545 /nfs/dbraw/zinc/58/85/45/558588545.db2.gz GGBFSUNJOXCCHC-AFUMVMLFSA-N 0 0 409.341 7.535 40 30 HKEBRN CC(C)(C)c1ccc(C(=O)O/N=C(/Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 ZINC000408722295 558588569 /nfs/dbraw/zinc/58/85/69/558588569.db2.gz GQXAJUFJYTZQPY-RWEWTDSWSA-N 0 0 416.477 5.696 40 30 HKEBRN COc1cccc(/C=N/c2nc(-c3ccc(Cl)cc3)c(-c3ccccc3)s2)c1 ZINC000408722305 558588495 /nfs/dbraw/zinc/58/84/95/558588495.db2.gz GTWXMZZBDWEWLZ-MFKUBSTISA-N 0 0 404.922 6.890 40 30 HKEBRN CC(C)c1ccc(/C=N/c2nc(-c3ccc(Cl)cc3)c(-c3ccccc3)s2)cc1 ZINC000408722307 558588503 /nfs/dbraw/zinc/58/85/03/558588503.db2.gz GVDFXCXUFCGORH-JVWAILMASA-N 0 0 416.977 8.005 40 30 HKEBRN Cc1ccc(/C(Cc2ccc([N+](=O)[O-])cc2)=N\OC(=O)c2ccccc2F)c(C)c1 ZINC000408722310 558588599 /nfs/dbraw/zinc/58/85/99/558588599.db2.gz GXPGMNKRWUIGCF-LVWGJNHUSA-N 0 0 406.413 5.155 40 30 HKEBRN CCOc1ccc(/C=N/c2nc(-c3ccc(OC)cc3)c(-c3ccccc3)s2)cc1 ZINC000408722328 558588482 /nfs/dbraw/zinc/58/84/82/558588482.db2.gz HGMSRLAYYJGXDX-YZSQISJMSA-N 0 0 414.530 6.635 40 30 HKEBRN Cc1ccc(-c2nc(/N=C/c3ccncc3)sc2-c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000408722410 558588525 /nfs/dbraw/zinc/58/85/25/558588525.db2.gz IJBIKCGWTBYBGF-AFUMVMLFSA-N 0 0 414.490 6.148 40 30 HKEBRN CCOc1cc(/C=N/c2nc(-c3ccc(C)cc3)c(-c3ccccc3)s2)ccc1O ZINC000408722414 558588477 /nfs/dbraw/zinc/58/84/77/558588477.db2.gz ILYIRPCJKUYCAQ-WGOQTCKBSA-N 0 0 414.530 6.640 40 30 HKEBRN CCCCCCCCCCCOC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 ZINC000408722459 558588714 /nfs/dbraw/zinc/58/87/14/558588714.db2.gz UMIUNSOWRMRFNB-UHFFFAOYSA-N 0 0 421.537 6.175 40 30 HKEBRN O=[N+]([O-])c1ccc(-c2sc(/N=C/c3cccc(Cl)c3)nc2-c2ccccc2)cc1 ZINC000408722474 557769811 /nfs/dbraw/zinc/76/98/11/557769811.db2.gz JIBDRJXTPDWYPS-ZVHZXABRSA-N 0 0 419.893 6.789 40 30 HKEBRN CCCCCCCCCCCOC(=O)c1ccc(N2C(=O)c3cccnc3C2=O)cc1 ZINC000408722520 558588744 /nfs/dbraw/zinc/58/87/44/558588744.db2.gz VGLFLPADHDJPPP-UHFFFAOYSA-N 0 0 422.525 5.570 40 30 HKEBRN CCc1ccc(-c2nc(/N=C/c3ccccc3)sc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000408722550 558588709 /nfs/dbraw/zinc/58/87/09/558588709.db2.gz KHPNSMJPSRDSPZ-PCLIKHOPSA-N 0 0 413.502 6.698 40 30 HKEBRN COc1ccc2c(c1)OCc1sc(/N=C/c3ccc(Br)cc3)nc1-2 ZINC000408722561 558588731 /nfs/dbraw/zinc/58/87/31/558588731.db2.gz KPJGFFBGZXWUNH-AWQFTUOYSA-N 0 0 401.285 5.224 40 30 HKEBRN CCCCOc1ccc(/C=N/c2nc(-c3ccccc3)c(-c3ccccc3)s2)cc1 ZINC000408722595 557770386 /nfs/dbraw/zinc/77/03/86/557770386.db2.gz LQRIAZVJYOUDAB-ZXVVBBHZSA-N 0 0 412.558 7.407 40 30 HKEBRN Cc1ccc(-c2nc(/N=C/c3c(Cl)cccc3Cl)sc2-c2ccccc2)cc1 ZINC000408722601 557770487 /nfs/dbraw/zinc/77/04/87/557770487.db2.gz LUIWRAZOHOCPDT-VULFUBBASA-N 0 0 423.368 7.843 40 30 HKEBRN COc1ccc2c(c1)-c1nc(/N=C/c3c4ccccc4cc4ccccc43)sc1CC2 ZINC000408722607 558588749 /nfs/dbraw/zinc/58/87/49/558588749.db2.gz MARDJBHUGSFLBY-LQKURTRISA-N 0 0 420.537 6.974 40 30 HKEBRN CCCCCCCCNC(=O)c1ccc(N2C(=O)[C@H]3CC[C@@](C)(C2=O)C3(C)C)cc1 ZINC000408722659 558588688 /nfs/dbraw/zinc/58/86/88/558588688.db2.gz VPOKNHKBQOFYGH-NLFFAJNJSA-N 0 0 412.574 5.093 40 30 HKEBRN CCOc1cc(C=NNc2nc3ccccc3[nH]2)ccc1OCc1ccccc1Cl ZINC000408722744 558588665 /nfs/dbraw/zinc/58/86/65/558588665.db2.gz FVYDIWYJMTWVCF-AFUMVMLFSA-N 0 0 420.900 5.640 40 30 HKEBRN COc1ccc2c(c1)OCc1sc(/N=C/c3c4ccccc4cc4ccccc43)nc1-2 ZINC000408722810 558588675 /nfs/dbraw/zinc/58/86/75/558588675.db2.gz NJJVGGDUYSBFND-MZJWZYIUSA-N 0 0 422.509 6.768 40 30 HKEBRN COc1ccc(/C=N/c2nc(-c3ccc(Cl)cc3)c(-c3ccccc3)s2)cc1 ZINC000408722822 558588684 /nfs/dbraw/zinc/58/86/84/558588684.db2.gz NNCNIZZKAMJUEZ-MFKUBSTISA-N 0 0 404.922 6.890 40 30 HKEBRN O=[N+]([O-])c1ccccc1/C=N/c1nc(-c2ccc(Cl)cc2)c(-c2ccccc2)s1 ZINC000408722938 558588724 /nfs/dbraw/zinc/58/87/24/558588724.db2.gz OPZMJMUQKAILIX-ZVHZXABRSA-N 0 0 419.893 6.789 40 30 HKEBRN COc1ccc(-c2oc(/N=C/c3ccccc3O)c(C#N)c2-c2cccc(OC)c2)cc1 ZINC000408722942 558588699 /nfs/dbraw/zinc/58/86/99/558588699.db2.gz OQTIGPCTSKNYLE-LQKURTRISA-N 0 0 424.456 5.959 40 30 HKEBRN CCOc1cc(/C=N/c2nc(-c3ccccc3)c(-c3ccccc3)s2)ccc1O ZINC000408722961 558588673 /nfs/dbraw/zinc/58/86/73/558588673.db2.gz OSRQBSHBLBFXME-PCLIKHOPSA-N 0 0 400.503 6.332 40 30 HKEBRN COc1cccc(/C=N/c2nc(-c3ccc(C)cc3)c(-c3ccccc3)s2)c1OC ZINC000408722979 558588690 /nfs/dbraw/zinc/58/86/90/558588690.db2.gz PBEJNSFITMPYMA-WGOQTCKBSA-N 0 0 414.530 6.553 40 30 HKEBRN CCCCCCCCCCCOC(=O)c1ccc2nc3[nH]c4ccccc4c3nc2c1 ZINC000408723004 558588679 /nfs/dbraw/zinc/58/86/79/558588679.db2.gz YVZOWRZXVRKGGM-UHFFFAOYSA-N 0 0 417.553 6.952 40 30 HKEBRN COC(=O)c1cc(-c2ccc(C=NN=c3[nH]c4ccccc4s3)o2)ccc1Cl ZINC000408723033 558588938 /nfs/dbraw/zinc/58/89/38/558588938.db2.gz LLVLDQHHYMHUTP-SSDVNMTOSA-N 0 0 411.870 5.442 40 30 HKEBRN COc1cc(/C=N/c2nc(-c3ccc(C)cc3)c(-c3ccccc3)s2)ccc1O ZINC000408723047 558588933 /nfs/dbraw/zinc/58/89/33/558588933.db2.gz PUSAVHPAQKOCNT-MFKUBSTISA-N 0 0 400.503 6.250 40 30 HKEBRN COc1cccc(/C=N/c2nc(-c3ccc(Cl)cc3)c(-c3ccccc3)s2)c1O ZINC000408723146 558588987 /nfs/dbraw/zinc/58/89/87/558588987.db2.gz QQYKCPSCLOVKSV-AFUMVMLFSA-N 0 0 420.921 6.595 40 30 HKEBRN COc1ccc(-c2nc(/N=C/c3ccccc3[N+](=O)[O-])sc2-c2ccccc2)cc1 ZINC000408723154 558588941 /nfs/dbraw/zinc/58/89/41/558588941.db2.gz QVDYKHPQRPGBQJ-BUVRLJJBSA-N 0 0 415.474 6.145 40 30 HKEBRN CCCCCCCCNC(=O)c1cccc(N2C(=O)[C@H]3CC[C@@](C)(C2=O)C3(C)C)c1 ZINC000408723176 558589006 /nfs/dbraw/zinc/58/90/06/558589006.db2.gz ZWRNBXSTAAUHOL-NLFFAJNJSA-N 0 0 412.574 5.093 40 30 HKEBRN Cc1ccc(/C(Cc2ccc([N+](=O)[O-])cc2)=N\OC(=O)c2ccc(Cl)cc2)c(C)c1 ZINC000408723211 558589001 /nfs/dbraw/zinc/58/90/01/558589001.db2.gz RDBHCXYXWZLTKU-LVWGJNHUSA-N 0 0 422.868 5.669 40 30 HKEBRN COc1ccc(-c2nc(/N=C/c3ccc(Cl)cc3)sc2-c2ccccc2)cc1 ZINC000408723243 557771648 /nfs/dbraw/zinc/77/16/48/557771648.db2.gz RWNJCRHEHMFAHU-MFKUBSTISA-N 0 0 404.922 6.890 40 30 HKEBRN Cc1ccc(C(=O)O/N=C(/Cc2ccc([N+](=O)[O-])cc2)c2ccc(C)cc2C)cc1 ZINC000408723256 558589019 /nfs/dbraw/zinc/58/90/19/558589019.db2.gz SECSURBCJAUYAM-BZZOAKBMSA-N 0 0 402.450 5.324 40 30 HKEBRN Clc1ccc(/C=N/c2nc(-c3ccc(Cl)cc3)c(-c3ccccc3)s2)cc1 ZINC000408723313 558588916 /nfs/dbraw/zinc/58/89/16/558588916.db2.gz TVNCGMNLILVKHI-AFUMVMLFSA-N 0 0 409.341 7.535 40 30 HKEBRN COc1ccc(-c2nc(/N=C/c3cccc(Cl)c3)sc2-c2ccccc2)cc1 ZINC000408723333 558588929 /nfs/dbraw/zinc/58/89/29/558588929.db2.gz TZVKFOGNSHBCOQ-MFKUBSTISA-N 0 0 404.922 6.890 40 30 HKEBRN COc1ccc(/C=N/c2nc(-c3ccc(OC)cc3)c(-c3ccccc3)s2)cc1 ZINC000408723426 558588992 /nfs/dbraw/zinc/58/89/92/558588992.db2.gz ULXKHSBKUDICCC-PCLIKHOPSA-N 0 0 400.503 6.245 40 30 HKEBRN CCOc1ccc(/C=N/c2nc(-c3ccc(Cl)cc3)c(-c3ccccc3)s2)cc1 ZINC000408723427 558588966 /nfs/dbraw/zinc/58/89/66/558588966.db2.gz UNCWNXBTGXNNOE-WGOQTCKBSA-N 0 0 418.949 7.280 40 30 HKEBRN COc1ccc(-c2nc(/N=C/c3ccc(C(C)C)cc3)sc2-c2ccccc2)cc1 ZINC000408723446 558589152 /nfs/dbraw/zinc/58/91/52/558589152.db2.gz VBFCMRGZOMIDPL-WPWMEQJKSA-N 0 0 412.558 7.360 40 30 HKEBRN COc1ccc(-c2nc(/N=C/c3cccc(OC)c3O)sc2-c2ccccc2)cc1 ZINC000408723475 558589228 /nfs/dbraw/zinc/58/92/28/558589228.db2.gz VPYCZWWPGPPCDF-MFKUBSTISA-N 0 0 416.502 5.951 40 30 HKEBRN COc1ccc2c(c1)OCc1sc(/N=C/c3cccc(Br)c3)nc1-2 ZINC000408723486 558589155 /nfs/dbraw/zinc/58/91/55/558589155.db2.gz VSBRDJYQLJZDRB-AWQFTUOYSA-N 0 0 401.285 5.224 40 30 HKEBRN COc1cccc(/C=N/c2nc(-c3ccccc3)c(-c3ccccc3)s2)c1OC ZINC000408723511 558589139 /nfs/dbraw/zinc/58/91/39/558589139.db2.gz WBPFDWPIPSYGJC-PCLIKHOPSA-N 0 0 400.503 6.245 40 30 HKEBRN Cc1ccc(-c2nc(/N=C/c3cccnc3)sc2-c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000408723524 558589142 /nfs/dbraw/zinc/58/91/42/558589142.db2.gz WLLDBHPIMPIILI-AFUMVMLFSA-N 0 0 414.490 6.148 40 30 HKEBRN Cc1cccc(C(=O)O/N=C(/Cc2ccc([N+](=O)[O-])cc2)c2ccc(C)cc2C)c1 ZINC000408723567 558589179 /nfs/dbraw/zinc/58/91/79/558589179.db2.gz WPRMOKLTFTXLHW-BZZOAKBMSA-N 0 0 402.450 5.324 40 30 HKEBRN COc1ccc(-c2nc(/N=C/c3cccc([N+](=O)[O-])c3)sc2-c2ccccc2)cc1 ZINC000408723622 558589209 /nfs/dbraw/zinc/58/92/09/558589209.db2.gz YFZYOCRQZBPBDL-BUVRLJJBSA-N 0 0 415.474 6.145 40 30 HKEBRN O=[N+]([O-])c1ccc(/C=N/c2nc(-c3ccc(Cl)cc3)c(-c3ccccc3)s2)cc1 ZINC000408723632 558589185 /nfs/dbraw/zinc/58/91/85/558589185.db2.gz YLUJBYCYBPBXNH-ZVHZXABRSA-N 0 0 419.893 6.789 40 30 HKEBRN Cc1ccc(/C(Cc2ccc([N+](=O)[O-])cc2)=N\OC(=O)c2ccccc2Cl)c(C)c1 ZINC000408723653 558585915 /nfs/dbraw/zinc/58/59/15/558585915.db2.gz YZJDUDBXOVMVJN-LVWGJNHUSA-N 0 0 422.868 5.669 40 30 HKEBRN Cc1ccc(N=C2NC(=O)/C(=C\c3c4ccccc4cc4ccccc43)S2)c(C)c1 ZINC000408723743 558586258 /nfs/dbraw/zinc/58/62/58/558586258.db2.gz HWCCORWGUQCLSG-BUVRLJJBSA-N 0 0 408.526 6.501 40 30 HKEBRN Cc1ccc(N=C2NC(=O)/C(=C\c3ccccc3OCc3ccccc3)S2)c(C)c1 ZINC000408723792 558586243 /nfs/dbraw/zinc/58/62/43/558586243.db2.gz NNWNVOXWTMRESC-HZHRSRAPSA-N 0 0 414.530 5.774 40 30 HKEBRN Cc1ccc(N=C2NC(=O)/C(=C\c3ccc(-c4ccc(Cl)cc4)o3)S2)c(C)c1 ZINC000408723822 558586312 /nfs/dbraw/zinc/58/63/12/558586312.db2.gz RROVGHQHPPGZQV-UDWIEESQSA-N 0 0 408.910 6.108 40 30 HKEBRN C=CCN1C(=O)C(=CC2=CC(=NNc3cccc(Cl)c3)C=CC2=O)SC1=S ZINC000408724623 558586830 /nfs/dbraw/zinc/58/68/30/558586830.db2.gz GGXQRNLAJWMGJH-NAXWDIBWSA-N 0 0 415.927 5.848 40 30 HKEBRN COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=Cc2ccc(Cl)cc2Cl)C1=O ZINC000408724925 558587401 /nfs/dbraw/zinc/58/74/01/558587401.db2.gz HLPSIGOKROQNOK-VCHYOVAHSA-N 0 0 402.277 5.179 40 30 HKEBRN Cc1ccc(NN=C2C=CC(=O)C(C=[NH+][N-]c3nc4ccccc4s3)=C2)cc1C ZINC000408725143 557781572 /nfs/dbraw/zinc/78/15/72/557781572.db2.gz CZPWPOMBOBLCED-VKDWVBNMSA-N 0 0 401.495 6.480 40 30 HKEBRN O=C1/C(=C/c2cccc(Cl)c2)S/C(=N\Cc2ccccc2)N1Cc1ccccc1 ZINC000408725348 558590119 /nfs/dbraw/zinc/59/01/19/558590119.db2.gz HLLPAELVHFVYKS-SHSCQTOKSA-N 0 0 418.949 6.013 40 30 HKEBRN C=CCN1C(=O)C(=CC2=CC(=NNc3ccc(C)c(C)c3)C=CC2=O)SC1=S ZINC000408725536 558590291 /nfs/dbraw/zinc/59/02/91/558590291.db2.gz LJJNEPSGOFLJJV-POJNRUHKSA-N 0 0 409.536 5.812 40 30 HKEBRN COC(=O)c1ccc(/C=C2\S/C(=N\c3ccccc3)N(C3CCCCC3)C2=O)cc1 ZINC000408726244 558590857 /nfs/dbraw/zinc/59/08/57/558590857.db2.gz MMINTNBIOSTNEB-MZHDSZJTSA-N 0 0 420.534 5.410 40 30 HKEBRN C=CCN1C(=O)C(=CC2=CC(=NNc3ccccc3Cl)C=CC2=O)SC1=S ZINC000408726602 558589160 /nfs/dbraw/zinc/58/91/60/558589160.db2.gz SANPMQSFJJKGGI-WWONUHQSSA-N 0 0 415.927 5.848 40 30 HKEBRN O=C1C=CC(=NNc2cccc3ccccc32)C=C1C=[NH+][N-]c1nc2ccccc2s1 ZINC000408727254 558589428 /nfs/dbraw/zinc/58/94/28/558589428.db2.gz PMDSVQXVASUUMR-KXQKENBESA-N 0 0 423.501 7.017 40 30 HKEBRN CSc1ccc(/C=C2\S/C(=N\c3ccccc3)N(C3CCCCC3)C2=O)cc1 ZINC000408727510 558589573 /nfs/dbraw/zinc/58/95/73/558589573.db2.gz SKKHXNGUISYJRY-BLOQEJBCSA-N 0 0 408.592 6.345 40 30 HKEBRN COc1cc(/C=C2\S/C(=N\c3ccccc3)N(C3CCCCC3)C2=O)ccc1C ZINC000408727572 558589694 /nfs/dbraw/zinc/58/96/94/558589694.db2.gz UFWOFLXZBYYKAM-WMOWQXFYSA-N 0 0 406.551 5.940 40 30 HKEBRN O=C1/C(=C/c2cccc(O)c2)S/C(=N\Cc2ccccc2)N1Cc1ccccc1 ZINC000408727580 558589681 /nfs/dbraw/zinc/58/96/81/558589681.db2.gz UJGFKOGDVAQCAD-YWROOUKNSA-N 0 0 400.503 5.065 40 30 HKEBRN C=CCOc1ccc(/C=C2\S/C(=N\c3ccccc3)N(C3CCCCC3)C2=O)cc1 ZINC000408727905 558592065 /nfs/dbraw/zinc/59/20/65/558592065.db2.gz YLCHOSFGPGWZEL-CUHSDLGESA-N 0 0 418.562 6.188 40 30 HKEBRN C=CCOc1ccc(/C=C2\SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OC ZINC000408728228 558592388 /nfs/dbraw/zinc/59/23/88/558592388.db2.gz XIWRJKHUWZKKNH-PDGQHHTCSA-N 0 0 401.871 5.154 40 30 HKEBRN CCOc1cc(/C=N/c2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)ccc1OC ZINC000408728558 558592322 /nfs/dbraw/zinc/59/23/22/558592322.db2.gz OOXFZDUWEFBZFB-RDRPBHBLSA-N 0 0 422.484 6.643 40 30 HKEBRN CCOc1ccc(/C=N/c2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)cc1OC ZINC000408728844 558592612 /nfs/dbraw/zinc/59/26/12/558592612.db2.gz VHGFNHWMMWNGPI-RDRPBHBLSA-N 0 0 422.484 6.643 40 30 HKEBRN Cc1cccc(/N=C/c2cc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)c1 ZINC000408729196 558592630 /nfs/dbraw/zinc/59/26/30/558592630.db2.gz ALBAKJCSRRVVRZ-DFKUXCBWSA-N 0 0 412.536 7.870 40 30 HKEBRN Cc1ccccc1/N=C/c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1 ZINC000408729758 558592597 /nfs/dbraw/zinc/59/25/97/558592597.db2.gz CMUGEIRRWZUBSA-DFKUXCBWSA-N 0 0 412.536 7.870 40 30 HKEBRN C=CCN1C(=O)/C(=C/c2c3ccccc3cc3ccccc32)S/C1=N\c1ccccc1 ZINC000408730135 557789538 /nfs/dbraw/zinc/78/95/38/557789538.db2.gz NSZQQPDDMYIUGZ-ZEHKLFRWSA-N 0 0 420.537 6.783 40 30 HKEBRN Cc1ccc(/C=N/c2ccc(S(=O)(=O)N3CCc4ccccc4C3)cc2)c(C)c1C ZINC000408730657 558591019 /nfs/dbraw/zinc/59/10/19/558591019.db2.gz SWZLOORTNLGOJB-WGOQTCKBSA-N 0 0 418.562 5.109 40 30 HKEBRN Cc1ccc(/N=C/c2cc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)cc1 ZINC000408731059 558590978 /nfs/dbraw/zinc/59/09/78/558590978.db2.gz IOJQWWLJITVPRS-DFKUXCBWSA-N 0 0 412.536 7.870 40 30 HKEBRN CC(C)c1ccc(/C=N/c2ccc(S(=O)(=O)N3CCc4ccccc4C3)cc2)cc1 ZINC000408731252 558591028 /nfs/dbraw/zinc/59/10/28/558591028.db2.gz ZIANPZYJCPWNHE-YZSQISJMSA-N 0 0 418.562 5.308 40 30 HKEBRN CCOc1cc([C@H]2N=C(SC)N(C)C(C)=C2C(C)=O)ccc1OCc1ccccc1 ZINC000408731873 558591016 /nfs/dbraw/zinc/59/10/16/558591016.db2.gz QHTRAZTUUPWSQF-HSZRJFAPSA-N 0 0 424.566 5.233 40 30 HKEBRN CCOc1cc([C@@H]2N=C(SC)N(C)C(C)=C2C(C)=O)ccc1OCc1ccccc1 ZINC000408731874 558590980 /nfs/dbraw/zinc/59/09/80/558590980.db2.gz QHTRAZTUUPWSQF-QHCPKHFHSA-N 0 0 424.566 5.233 40 30 HKEBRN CSC1=N[C@@H](c2ccc(Br)cc2)C(C(C)=O)=C(C)N1c1ccccc1 ZINC000408732067 558591023 /nfs/dbraw/zinc/59/10/23/558591023.db2.gz RLYPDCNTIURIGL-IBGZPJMESA-N 0 0 415.356 5.592 40 30 HKEBRN CSC1=N[C@H](c2ccc(Br)cc2)C(C(C)=O)=C(C)N1c1ccccc1 ZINC000408732068 558591012 /nfs/dbraw/zinc/59/10/12/558591012.db2.gz RLYPDCNTIURIGL-LJQANCHMSA-N 0 0 415.356 5.592 40 30 HKEBRN CCOC(=O)CN/N=C\c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1 ZINC000408732243 558591063 /nfs/dbraw/zinc/59/10/63/558591063.db2.gz PVZLTJDVPPVWDY-USHMODERSA-N 0 0 423.516 5.298 40 30 HKEBRN Oc1ccc(/N=C/c2cc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)cc1 ZINC000408732401 558591067 /nfs/dbraw/zinc/59/10/67/558591067.db2.gz QSIGAUZKZLNURU-MWAVMZGNSA-N 0 0 414.508 7.268 40 30 HKEBRN O=C(Oc1cccc(/C=N/c2ccccc2F)c1)c1sc2ccccc2c1Cl ZINC000408733045 558591771 /nfs/dbraw/zinc/59/17/71/558591771.db2.gz DSVXLUKAXYMBPP-DHRITJCHSA-N 0 0 409.869 6.664 40 30 HKEBRN O=[N+]([O-])c1ccc(Cl)c(/N=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)c1 ZINC000408733261 558594079 /nfs/dbraw/zinc/59/40/79/558594079.db2.gz WSNLSAPTVOCUBJ-AWQFTUOYSA-N 0 0 406.181 5.820 40 30 HKEBRN Fc1c(F)c(C(F)(F)F)c(F)c(F)c1N=NCc1ccccc1C(F)(F)F ZINC000408733498 558594104 /nfs/dbraw/zinc/59/41/04/558594104.db2.gz YNBVDOQIXHIHHE-PLYROHNOSA-N 0 0 404.207 5.727 40 30 HKEBRN C(=NNc1ccccc1)c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1 ZINC000408733515 558594096 /nfs/dbraw/zinc/59/40/96/558594096.db2.gz YVHZMACTKKJSSM-SWKFRHMKSA-N 0 0 413.524 7.257 40 30 HKEBRN O=C(Oc1ccc(/C=N/c2ccccc2F)cc1)c1sc2ccccc2c1Cl ZINC000408733602 558594241 /nfs/dbraw/zinc/59/42/41/558594241.db2.gz LSQWVBISBPKMOP-DHRITJCHSA-N 0 0 409.869 6.664 40 30 HKEBRN O=C(Oc1ccccc1/C=N/c1ccc(F)cc1)c1sc2ccccc2c1Cl ZINC000408733629 557797834 /nfs/dbraw/zinc/79/78/34/557797834.db2.gz NCCQKOLWYKDKOY-DHRITJCHSA-N 0 0 409.869 6.664 40 30 HKEBRN O=C(Oc1cccc(/C=N/c2ccc(F)cc2)c1)c1sc2ccccc2c1Cl ZINC000408734029 558594504 /nfs/dbraw/zinc/59/45/04/558594504.db2.gz VBMAWHZNMDJTDI-DHRITJCHSA-N 0 0 409.869 6.664 40 30 HKEBRN O=C(Oc1ccc(/C=N/c2ccc(F)cc2)cc1)c1sc2ccccc2c1Cl ZINC000408734208 558592782 /nfs/dbraw/zinc/59/27/82/558592782.db2.gz CNYSVJRDKZYCNE-DHRITJCHSA-N 0 0 409.869 6.664 40 30 HKEBRN O=C(Oc1ccccc1/C=N/c1ccccc1F)c1sc2ccccc2c1Cl ZINC000408734286 558592867 /nfs/dbraw/zinc/59/28/67/558592867.db2.gz WHQJILNYUAKCQR-DHRITJCHSA-N 0 0 409.869 6.664 40 30 HKEBRN Cc1ccc(-c2ccc(CN=Nc3c(F)c(F)c(F)c(F)c3F)o2)cc1Cl ZINC000408734943 558593896 /nfs/dbraw/zinc/59/38/96/558593896.db2.gz HONHCBJNBXEQBN-JRXWSOMVSA-N 0 0 400.734 6.050 40 30 HKEBRN CCOc1cc(/C=C2\Sc3ccccc3C2=O)cc(Br)c1OCC ZINC000408735391 558594071 /nfs/dbraw/zinc/59/40/71/558594071.db2.gz PJUZUZZLANCLHE-BOPFTXTBSA-N 0 0 405.313 5.576 40 30 HKEBRN COc1cc(/C=C2\Sc3ccccc3C2=O)ccc1OCc1cccc2ccccc21 ZINC000408735402 558594076 /nfs/dbraw/zinc/59/40/76/558594076.db2.gz POHFZKXTMMGHGF-QQXSKIMKSA-N 0 0 424.521 6.757 40 30 HKEBRN C=CCN(CC=C)C(=O)Nc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1 ZINC000408735527 558594090 /nfs/dbraw/zinc/59/40/90/558594090.db2.gz QXYGKAZFGWKWLH-UHFFFAOYSA-N 0 0 418.500 6.295 40 30 HKEBRN Cc1sc2[nH]c(-c3cn(Cc4ccccc4C#N)c4ccccc34)nc(=O)c2c1C ZINC000408735564 558594089 /nfs/dbraw/zinc/59/40/89/558594089.db2.gz UISUSPPUNIIRIO-UHFFFAOYSA-N 0 0 410.502 5.555 40 30 HKEBRN COc1cc(-c2nc3ccccn3c2/N=C/c2cccc(Br)c2)ccc1O ZINC000408735966 558594524 /nfs/dbraw/zinc/59/45/24/558594524.db2.gz YZEYWQAJVLGWLN-YDZHTSKRSA-N 0 0 422.282 5.229 40 30 HKEBRN C=CCOc1ccc([C@@H]2Nc3ccc(C(=O)OCC)cc3[C@@H]3C=CC[C@@H]32)cc1OC ZINC000408736378 558594991 /nfs/dbraw/zinc/59/49/91/558594991.db2.gz RDVSFPDOERYIJG-IMWIBFENSA-N 0 0 405.494 5.263 40 30 HKEBRN CCc1ccc(C(C)N=Nc2nc(-c3ccc(Br)cc3)cs2)cc1 ZINC000408736866 558595329 /nfs/dbraw/zinc/59/53/29/558595329.db2.gz AAYGTDNUWWBMTE-LPYMAVHISA-N 0 0 400.345 5.971 40 30 HKEBRN CCCCCCOc1ccccc1/C=N/c1cc(-c2ccccc2)nn1-c1ccccc1 ZINC000408736867 558595299 /nfs/dbraw/zinc/59/52/99/558595299.db2.gz ACEBCFAVSCFOGD-QUPMIFSKSA-N 0 0 423.560 7.249 40 30 HKEBRN CC(N=Nc1nc(-c2ccc(Br)cc2)cs1)c1ccc(Cl)cc1 ZINC000408736897 558595334 /nfs/dbraw/zinc/59/53/34/558595334.db2.gz CCVTUIXIUZQJDH-SRZZPIQSSA-N 0 0 406.736 6.062 40 30 HKEBRN CCCCCCCOc1ccc(CN=Nc2nc(-c3ccc(C)cc3)cs2)cc1 ZINC000408736975 558595327 /nfs/dbraw/zinc/59/53/27/558595327.db2.gz FLMGCWFVGIQXOK-KOEQRZSOSA-N 0 0 407.583 6.914 40 30 HKEBRN Cc1ccc(C(=O)Oc2ccc(CN=Nc3nc(-c4ccccc4)cs3)cc2)cc1 ZINC000408737072 557802978 /nfs/dbraw/zinc/80/29/78/557802978.db2.gz HMHZIHPOENQEGY-MFKUBSTISA-N 0 0 413.502 5.784 40 30 HKEBRN Cc1ccc(-c2cc(/N=C/c3ccc(Br)cc3)n(-c3ccccc3)n2)cc1 ZINC000408737077 558595309 /nfs/dbraw/zinc/59/53/09/558595309.db2.gz HRIXBFUVJJOAPF-PCLIKHOPSA-N 0 0 416.322 6.361 40 30 HKEBRN CCOc1cc(/C=N/c2cc(-c3ccc(C)cc3)nn2-c2ccccc2)ccc1OC ZINC000408737117 558595362 /nfs/dbraw/zinc/59/53/62/558595362.db2.gz KBLVNMPJIVDGGP-OVVQPSECSA-N 0 0 411.505 6.006 40 30 HKEBRN COc1ccccc1C(C)N=Nc1nc(-c2ccc(Br)cc2)cs1 ZINC000408737144 558595350 /nfs/dbraw/zinc/59/53/50/558595350.db2.gz LESVXFPEBWODIB-CIAFOILYSA-N 0 0 402.317 5.417 40 30 HKEBRN CCOc1ccc(CN=Nc2nc(-c3ccc(Cl)cc3)cs2)c(OCC)c1 ZINC000408737161 558595600 /nfs/dbraw/zinc/59/56/00/558595600.db2.gz MISMXSIPLNVQRM-WSDLNYQXSA-N 0 0 401.919 5.707 40 30 HKEBRN CCOc1ccc(/C=C2\SC(=Nc3cccc(Cl)c3C)NC2=O)c2ccccc12 ZINC000408737190 558595615 /nfs/dbraw/zinc/59/56/15/558595615.db2.gz AFBDFIKFYZXQEL-BKUYFWCQSA-N 0 0 422.937 6.092 40 30 HKEBRN CCOc1ccc(/C=C2\SC(=Nc3cccc(Cl)c3C)NC2=O)cc1OCC ZINC000408737308 558595579 /nfs/dbraw/zinc/59/55/79/558595579.db2.gz BNJIOBUEJRTCHH-UNOMPAQXSA-N 0 0 416.930 5.337 40 30 HKEBRN COc1cc(C)c(/C=C2\SC(=Nc3cccc(Cl)c3C)NC2=O)cc1C(C)C ZINC000408737310 558595596 /nfs/dbraw/zinc/59/55/96/558595596.db2.gz BNLDCBSIGHXHJR-JAIQZWGSSA-N 0 0 414.958 5.980 40 30 HKEBRN Cc1cc(/C=C2\SC(=Nc3cccc(Cl)c3C)NC2=O)c(C)n1-c1ccccc1 ZINC000408737348 557803939 /nfs/dbraw/zinc/80/39/39/557803939.db2.gz CGRDBSSDZAFYEO-BKUYFWCQSA-N 0 0 421.953 5.948 40 30 HKEBRN Cc1cc(/C=N/c2cccc3ccccc32)c(C)n1-c1ccc(Br)cc1 ZINC000408737354 558595506 /nfs/dbraw/zinc/59/55/06/558595506.db2.gz CJMZISUGEKOIJZ-MFKUBSTISA-N 0 0 403.323 6.760 40 30 HKEBRN Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(OCC(C)C)cc3)S2)cc1Cl ZINC000408737360 557803972 /nfs/dbraw/zinc/80/39/72/557803972.db2.gz CNGGYPADIPFVBF-GRSHGNNSSA-N 0 0 400.931 5.575 40 30 HKEBRN COC(=O)c1ccc(/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1 ZINC000408737370 558595483 /nfs/dbraw/zinc/59/54/83/558595483.db2.gz CQFYMXZOLJDBCR-YDZHTSKRSA-N 0 0 411.299 5.394 40 30 HKEBRN Brc1cccc(/C=N/c2cc(-c3ccccc3)nn2-c2ccccc2)c1 ZINC000408737395 557803942 /nfs/dbraw/zinc/80/39/42/557803942.db2.gz OTEXRPVORIYKKZ-LFVJCYFKSA-N 0 0 402.295 6.052 40 30 HKEBRN CC(=O)Nc1ccc(/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1 ZINC000408737443 558595820 /nfs/dbraw/zinc/59/58/20/558595820.db2.gz ASCZWRWDHNTSEW-YDZHTSKRSA-N 0 0 410.315 5.566 40 30 HKEBRN Cc1cc(/C=N/c2cccc(I)c2)c(C)n1-c1ccc(F)cc1 ZINC000408737444 558595794 /nfs/dbraw/zinc/59/57/94/558595794.db2.gz ATKQPNSEMMXSMY-WSDLNYQXSA-N 0 0 418.253 5.588 40 30 HKEBRN Cc1cc(/C=N/c2ccc(Cl)c(Cl)c2)c(C)n1-c1ccc(Br)cc1 ZINC000408737538 558595816 /nfs/dbraw/zinc/59/58/16/558595816.db2.gz CXJBVOKYGINJTB-FOKLQQMPSA-N 0 0 422.153 6.914 40 30 HKEBRN COc1ccc2ccccc2c1/C=C1\SC(=Nc2ccc(C)c(Cl)c2)NC1=O ZINC000408737548 558595714 /nfs/dbraw/zinc/59/57/14/558595714.db2.gz DCLWGGIUBMXMJH-NDENLUEZSA-N 0 0 408.910 5.702 40 30 HKEBRN Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(Br)cc3)S2)cc1Cl ZINC000408737550 558595830 /nfs/dbraw/zinc/59/58/30/558595830.db2.gz DCUNMTAZZMINPQ-NVNXTCNLSA-N 0 0 407.720 5.303 40 30 HKEBRN COc1cc(/C=C2\SC(=Nc3cccc(Cl)c3C)NC2=O)ccc1OC(C)C ZINC000408737553 558595810 /nfs/dbraw/zinc/59/58/10/558595810.db2.gz DDIPEUATCBOLGG-ODLFYWEKSA-N 0 0 416.930 5.336 40 30 HKEBRN Cc1c(Cl)cccc1N=C1NC(=O)/C(=C/c2cc(Br)ccc2O)S1 ZINC000408737620 558595799 /nfs/dbraw/zinc/59/57/99/558595799.db2.gz FBAPHDRHUAUPSN-NVNXTCNLSA-N 0 0 423.719 5.008 40 30 HKEBRN Cc1c(Cl)cccc1N=C1NC(=O)/C(=C/c2ccc(OCC(C)C)cc2)S1 ZINC000408737634 558595764 /nfs/dbraw/zinc/59/57/64/558595764.db2.gz FJZPQFCEFFFNFI-ODLFYWEKSA-N 0 0 400.931 5.575 40 30 HKEBRN Cc1cc(/C=N/c2ccc(C)c([N+](=O)[O-])c2)c(C)n1-c1ccc(Br)cc1 ZINC000408737646 557799932 /nfs/dbraw/zinc/79/99/32/557799932.db2.gz FRWAMCHTBIORLE-WSDLNYQXSA-N 0 0 412.287 5.824 40 30 HKEBRN COc1cc(/C=C2\SC(=Nc3ccc(C)c(Cl)c3)NC2=O)ccc1OC(C)C ZINC000408737657 558595685 /nfs/dbraw/zinc/59/56/85/558595685.db2.gz FYPSTUUSMLLMLK-GRSHGNNSSA-N 0 0 416.930 5.336 40 30 HKEBRN Cc1cc(/C=C2\SC(=Nc3ccc(C)c(Cl)c3)NC2=O)c(C)n1-c1ccccc1 ZINC000408737664 558595755 /nfs/dbraw/zinc/59/57/55/558595755.db2.gz GDLDUXMISZCCHS-MTJSOVHGSA-N 0 0 421.953 5.948 40 30 HKEBRN CCOc1ccc(C(C)N=Nc2nc(-c3ccc(Br)cc3)cs2)cc1 ZINC000408737765 558595995 /nfs/dbraw/zinc/59/59/95/558595995.db2.gz XBNYWOZUKQZTLQ-LPYMAVHISA-N 0 0 416.344 5.807 40 30 HKEBRN CCOc1ccc(/C=N/c2cc(-c3ccccc3)nn2-c2ccccc2)c(OCC)c1 ZINC000408737853 558596488 /nfs/dbraw/zinc/59/64/88/558596488.db2.gz YOHGYLRCDHTGEJ-ZXVVBBHZSA-N 0 0 411.505 6.087 40 30 HKEBRN Cc1cc(/C=N/c2ccc(I)c(C)c2)c(C)n1-c1ccccc1 ZINC000408737862 558596585 /nfs/dbraw/zinc/59/65/85/558596585.db2.gz INVXECJIZMPXLQ-LPYMAVHISA-N 0 0 414.290 5.758 40 30 HKEBRN Cc1cc(/C=N/c2ccc(Br)cc2C)c(C)n1-c1ccc(Cl)cc1 ZINC000408737871 558596553 /nfs/dbraw/zinc/59/65/53/558596553.db2.gz INVYVESMBYUERH-FSJBWODESA-N 0 0 401.735 6.569 40 30 HKEBRN CCCCCOc1ccccc1/C=N/c1cc(-c2ccccc2)nn1-c1ccccc1 ZINC000408737880 558596546 /nfs/dbraw/zinc/59/65/46/558596546.db2.gz YWCIDVUWIBHBQN-SGWCAAJKSA-N 0 0 409.533 6.859 40 30 HKEBRN CCN(CC)c1ccc(/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1 ZINC000408737923 558596542 /nfs/dbraw/zinc/59/65/42/558596542.db2.gz KCMMOGKSXUTBCQ-PCLIKHOPSA-N 0 0 424.386 6.453 40 30 HKEBRN Cc1cc(/C=N/c2cccc3cccnc32)c(C)n1-c1ccc(Br)cc1 ZINC000408737930 558596606 /nfs/dbraw/zinc/59/66/06/558596606.db2.gz KQFMFOOPINEVKN-AFUMVMLFSA-N 0 0 404.311 6.155 40 30 HKEBRN COc1cc(Cl)c(/C=C2\SC(=Nc3ccc(C)c(Cl)c3)NC2=O)cc1OC ZINC000408737952 558596557 /nfs/dbraw/zinc/59/65/57/558596557.db2.gz GIQVYYHIOPSYEB-IDUWFGFVSA-N 0 0 423.321 5.211 40 30 HKEBRN Cc1cc(/C=N/c2cccc(I)c2)c(C)n1-c1ccc(C)cc1 ZINC000408737967 558596494 /nfs/dbraw/zinc/59/64/94/558596494.db2.gz GRFMDPFDMZSURE-LPYMAVHISA-N 0 0 414.290 5.758 40 30 HKEBRN Cc1cc(C=N/N=C/c2cc(C)n(-c3ccc(C)cc3)c2C)c(C)n1-c1ccc(C)cc1 ZINC000408738016 558596800 /nfs/dbraw/zinc/59/68/00/558596800.db2.gz HXBRGHXZVYFLRP-BTMACWBJSA-N 0 0 422.576 6.572 40 30 HKEBRN Cc1c(Cl)cccc1N=C1NC(=O)/C(=C/c2cccc(Br)c2)S1 ZINC000408738054 558596767 /nfs/dbraw/zinc/59/67/67/558596767.db2.gz IKXPFFFCABGKKN-DHDCSXOGSA-N 0 0 407.720 5.303 40 30 HKEBRN COC(=O)c1cc(/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)ccc1Cl ZINC000408738162 557800170 /nfs/dbraw/zinc/80/01/70/557800170.db2.gz RDPARFKKCBQIGC-WYMPLXKRSA-N 0 0 401.293 5.938 40 30 HKEBRN Cc1cc(/C=N/c2ccc(I)cc2)c(C)n1-c1ccccc1 ZINC000408738230 558597394 /nfs/dbraw/zinc/59/73/94/558597394.db2.gz SETZOVBGSVSIKW-FYJGNVAPSA-N 0 0 400.263 5.449 40 30 HKEBRN Cc1c(Cl)cccc1N=C1NC(=O)/C(=C/c2ccc3[nH]c4ccccc4c3c2)S1 ZINC000408738403 558596303 /nfs/dbraw/zinc/59/63/03/558596303.db2.gz KNHBVMLZEDOTDC-MTJSOVHGSA-N 0 0 417.921 6.175 40 30 HKEBRN Cc1cc(/C=N/c2ccc([N+](=O)[O-])cc2C)c(C)n1-c1ccc(Br)cc1 ZINC000408738419 558596354 /nfs/dbraw/zinc/59/63/54/558596354.db2.gz KPJXLNIDRCWHSC-WSDLNYQXSA-N 0 0 412.287 5.824 40 30 HKEBRN Cc1cc(/C=N/c2ccc(I)cc2)c(C)n1-c1ccc(F)cc1 ZINC000408738459 558596388 /nfs/dbraw/zinc/59/63/88/558596388.db2.gz XQMFYGAWONLFBM-WSDLNYQXSA-N 0 0 418.253 5.588 40 30 HKEBRN CCOc1ccc2ccccc2c1/C=C1\SC(=Nc2ccc(C)c(Cl)c2)NC1=O ZINC000408738623 558598574 /nfs/dbraw/zinc/59/85/74/558598574.db2.gz MPCMISRGAOMBQG-BKUYFWCQSA-N 0 0 422.937 6.092 40 30 HKEBRN COc1ccc(/C=C2\SC(=Nc3cccc(Cl)c3C)NC2=O)c2ccccc12 ZINC000408738708 558598729 /nfs/dbraw/zinc/59/87/29/558598729.db2.gz MXSLPEOATZSZDN-NDENLUEZSA-N 0 0 408.910 5.702 40 30 HKEBRN Cc1c(Cl)cccc1N=C1NC(=O)/C(=C/c2ccc(Br)cc2)S1 ZINC000408738742 558598840 /nfs/dbraw/zinc/59/88/40/558598840.db2.gz NJOWLDPDLHKBDB-DHDCSXOGSA-N 0 0 407.720 5.303 40 30 HKEBRN CCOc1ccc(/C=C2\SC(=Nc3ccc(C)c(Cl)c3)NC2=O)c2ccccc12 ZINC000408738775 558598693 /nfs/dbraw/zinc/59/86/93/558598693.db2.gz OEPPBJHSRUHNNI-MTJSOVHGSA-N 0 0 422.937 6.092 40 30 HKEBRN CCOc1ccc2ccccc2c1/C=C1\SC(=Nc2cccc(Cl)c2C)NC1=O ZINC000408738985 557804182 /nfs/dbraw/zinc/80/41/82/557804182.db2.gz QVLNEGHKPKUVCV-BKUYFWCQSA-N 0 0 422.937 6.092 40 30 HKEBRN Cc1cc(/C=N/c2ccc(I)cc2)c(C)n1-c1ccc(C)cc1 ZINC000408739045 558599208 /nfs/dbraw/zinc/59/92/08/558599208.db2.gz SAGLAMPZJAYDPP-LPYMAVHISA-N 0 0 414.290 5.758 40 30 HKEBRN COc1cc(Cl)c(/C=C2\SC(=Nc3cccc(Cl)c3C)NC2=O)cc1OC ZINC000408739053 557804298 /nfs/dbraw/zinc/80/42/98/557804298.db2.gz SDKACRIAGFONPU-IUXPMGMMSA-N 0 0 423.321 5.211 40 30 HKEBRN Cc1cc(/C=N/c2cccc(I)c2)c(C)n1-c1ccccc1 ZINC000408739226 558597629 /nfs/dbraw/zinc/59/76/29/558597629.db2.gz UJKGGOCRYHNPMN-FYJGNVAPSA-N 0 0 400.263 5.449 40 30 HKEBRN Cc1cc(/C=N/c2ccc(Br)cc2C)c(C)n1-c1ccc(N(C)C)cc1 ZINC000408739270 558597746 /nfs/dbraw/zinc/59/77/46/558597746.db2.gz APZVUFNYDVMSIY-ZVHZXABRSA-N 0 0 410.359 5.982 40 30 HKEBRN Cc1cc(/C=C2\SC(=Nc3ccccc3)NC2=O)c(C)n1-c1ccc(C)c(C)c1 ZINC000408739287 558597771 /nfs/dbraw/zinc/59/77/71/558597771.db2.gz AYBRMUXYQTZGRB-HMAPJEAMSA-N 0 0 401.535 5.603 40 30 HKEBRN Cc1cc(/C=N/c2cccc(I)c2)c(C)n1C1CCCCC1 ZINC000408739292 558597843 /nfs/dbraw/zinc/59/78/43/558597843.db2.gz AZKCOPVWVAIDQA-FYJGNVAPSA-N 0 0 406.311 5.965 40 30 HKEBRN O=[N+]([O-])c1ccc(Oc2ccc(/C=N/N(c3ccccc3)c3ccccc3)cc2)nc1 ZINC000408739345 558598082 /nfs/dbraw/zinc/59/80/82/558598082.db2.gz VRSVDTVQOZXBOM-YZSQISJMSA-N 0 0 410.433 5.954 40 30 HKEBRN COc1cc(C)c(/C=C2\SC(=Nc3ccc(C)c(Cl)c3)NC2=O)cc1C(C)C ZINC000408739365 558598070 /nfs/dbraw/zinc/59/80/70/558598070.db2.gz VXAHKKWFFUAGJW-JMIUGGIZSA-N 0 0 414.958 5.980 40 30 HKEBRN COC(=O)c1cccc(/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)c1 ZINC000408739456 558598257 /nfs/dbraw/zinc/59/82/57/558598257.db2.gz WLZRDTCNEJRSOQ-YDZHTSKRSA-N 0 0 411.299 5.394 40 30 HKEBRN C=CCOc1ccc(/C=C2\SC(=Nc3cccc(Cl)c3C)NC2=O)cc1OC ZINC000408739505 558598188 /nfs/dbraw/zinc/59/81/88/558598188.db2.gz XCTYSWUYFJPKSZ-UNOMPAQXSA-N 0 0 414.914 5.113 40 30 HKEBRN N#Cc1c2c(sc1/N=C/c1ccc(-c3cc(Cl)ccc3Cl)o1)CCCC2 ZINC000408739529 558598193 /nfs/dbraw/zinc/59/81/93/558598193.db2.gz CMICXVDFHBSODC-BHGWPJFGSA-N 0 0 401.318 6.816 40 30 HKEBRN Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(-c4ccc(F)cc4)o3)S2)cc1Cl ZINC000408739543 558598410 /nfs/dbraw/zinc/59/84/10/558598410.db2.gz XLXUGQCHJLBYEN-ODLFYWEKSA-N 0 0 412.873 5.939 40 30 HKEBRN Cc1ccc(N=C2NC(=O)/C(=C/c3cc(Br)ccc3O)S2)cc1Cl ZINC000408739545 558598496 /nfs/dbraw/zinc/59/84/96/558598496.db2.gz XLYUIDGSBFYDCB-CHHVJCJISA-N 0 0 423.719 5.008 40 30 HKEBRN COc1ccc(/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1Cl ZINC000408739591 558601059 /nfs/dbraw/zinc/60/10/59/558601059.db2.gz YCBQGJKEBZGPBK-FSJBWODESA-N 0 0 417.734 6.269 40 30 HKEBRN COC(=O)c1cc(/N=C/c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)ccc1Cl ZINC000408739635 558601056 /nfs/dbraw/zinc/60/10/56/558601056.db2.gz DMJYXYJSNORYLW-AFUMVMLFSA-N 0 0 409.917 5.351 40 30 HKEBRN Cc1ccc(N=C2NC(=O)/C(=C/c3ccc4[nH]c5ccccc5c4c3)S2)cc1Cl ZINC000408739660 558601242 /nfs/dbraw/zinc/60/12/42/558601242.db2.gz YNCQIPYAXNGJRS-NHDPSOOVSA-N 0 0 417.921 6.175 40 30 HKEBRN CCOc1ccc(/C=C2\SC(=Nc3ccc(C)c(Cl)c3)NC2=O)cc1OCC ZINC000408739664 558601202 /nfs/dbraw/zinc/60/12/02/558601202.db2.gz YQVOAZLSTHJZQE-ODLFYWEKSA-N 0 0 416.930 5.337 40 30 HKEBRN Cc1cc(/C=C2\SC(=Nc3ccc(C)cc3)NC2=O)c(C)n1-c1ccc(C)c(C)c1 ZINC000408739699 558601245 /nfs/dbraw/zinc/60/12/45/558601245.db2.gz DRVBOULFOBTSAT-UCQKPKSFSA-N 0 0 415.562 5.911 40 30 HKEBRN Oc1cccc(/N=C/c2cc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)c1 ZINC000408739737 558599453 /nfs/dbraw/zinc/59/94/53/558599453.db2.gz FCXPQUPMPMIYAE-MWAVMZGNSA-N 0 0 414.508 7.268 40 30 HKEBRN Cc1cc(/C=N/c2sc3c(c2C#N)CCCC3)c(C)n1-c1ccc(N(C)C)cc1 ZINC000408739811 558599440 /nfs/dbraw/zinc/59/94/40/558599440.db2.gz FWJNSNGEIYSGEP-CVKSISIWSA-N 0 0 402.567 5.723 40 30 HKEBRN Cc1cc(C=NC2C=C[C@H]3C(=O)c4ccccc4C(=O)C3=C2)c(C)n1C1CCCCC1 ZINC000408739945 557805725 /nfs/dbraw/zinc/80/57/25/557805725.db2.gz GXLJGIMFICMIFN-DWXWGCHJSA-N 0 0 412.533 5.794 40 30 HKEBRN Cc1cc(C=NC2C=C[C@H]3C(=O)c4ccccc4C(=O)C3=C2)c(C)n1C1CCCCC1 ZINC000408739947 557805701 /nfs/dbraw/zinc/80/57/01/557805701.db2.gz GXLJGIMFICMIFN-SHGVGAEPSA-N 0 0 412.533 5.794 40 30 HKEBRN Cc1cc(C=NC2C=C[C@@H]3C(=O)c4ccccc4C(=O)C3=C2)c(C)n1C1CCCCC1 ZINC000408739949 558599448 /nfs/dbraw/zinc/59/94/48/558599448.db2.gz GXLJGIMFICMIFN-WUXRASDRSA-N 0 0 412.533 5.794 40 30 HKEBRN Cc1cc(C=NC2C=C[C@@H]3C(=O)c4ccccc4C(=O)C3=C2)c(C)n1C1CCCCC1 ZINC000408739951 557805706 /nfs/dbraw/zinc/80/57/06/557805706.db2.gz GXLJGIMFICMIFN-XLLOKAADSA-N 0 0 412.533 5.794 40 30 HKEBRN Cc1cc(/C=C2\SC(=Nc3ccc(C)c(C)c3)NC2=O)c(C)n1C1CCCCC1 ZINC000408740189 558599411 /nfs/dbraw/zinc/59/94/11/558599411.db2.gz JFDQKFIZMUALGG-HMAPJEAMSA-N 0 0 407.583 6.119 40 30 HKEBRN CCOc1ccc(N=C2NC(=O)/C(=C/c3cc(C)n(C4CCCCC4)c3C)S2)cc1 ZINC000408740239 558599515 /nfs/dbraw/zinc/59/95/15/558599515.db2.gz FBWAFXWSKNUQPM-JCMHNJIXSA-N 0 0 423.582 5.900 40 30 HKEBRN N#Cc1c2c(sc1/N=C/c1ccc(OCc3ccc([N+](=O)[O-])cc3)cc1)CCCC2 ZINC000408740563 558599511 /nfs/dbraw/zinc/59/95/11/558599511.db2.gz LNWPZAZZZMZXFO-AFUMVMLFSA-N 0 0 417.490 5.736 40 30 HKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3cc(C)n(-c4ccccc4)c3C)S2)cc1 ZINC000408740589 558599498 /nfs/dbraw/zinc/59/94/98/558599498.db2.gz HEERIURGKKLQAP-PXLXIMEGSA-N 0 0 417.534 5.384 40 30 HKEBRN CC(C)c1ccc(/C=C2\SC(=Nc3cccc(Br)c3)NC2=O)cc1 ZINC000408740848 558599668 /nfs/dbraw/zinc/59/96/68/558599668.db2.gz INQYEQMSRGGISZ-YVLHZVERSA-N 0 0 401.329 5.464 40 30 HKEBRN COC(=O)c1ccc(-n2c(C)cc(/C=N/c3cccc(Br)c3)c2C)cc1 ZINC000408740958 558599754 /nfs/dbraw/zinc/59/97/54/558599754.db2.gz FRULPIIVZURLDE-YDZHTSKRSA-N 0 0 411.299 5.394 40 30 HKEBRN COC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccc(Cl)c([N+](=O)[O-])c3)c2C)cc1 ZINC000408741005 558599699 /nfs/dbraw/zinc/59/96/99/558599699.db2.gz GIZOSLMCYYQUEY-FSJBWODESA-N 0 0 411.845 5.193 40 30 HKEBRN Cc1cc(/C=N/c2ccc(I)cc2)c(C)n1C1CCCCC1 ZINC000408741187 558599654 /nfs/dbraw/zinc/59/96/54/558599654.db2.gz OHWCBXZQPOTBQO-FYJGNVAPSA-N 0 0 406.311 5.965 40 30 HKEBRN Cc1cc(/C=C2/SC(=Nc3ccccc3)NC2=O)c(C)n1-c1ccc(N(C)C)cc1 ZINC000408741229 558599745 /nfs/dbraw/zinc/59/97/45/558599745.db2.gz ONNHAPRMDWVJSN-PXLXIMEGSA-N 0 0 416.550 5.052 40 30 HKEBRN COC(=O)c1ccc(-n2c(C)cc(/C=N/c3sc4c(c3C#N)CCCC4)c2C)cc1 ZINC000408741600 558599868 /nfs/dbraw/zinc/59/98/68/558599868.db2.gz KDXMUMLGZQYKGH-VULFUBBASA-N 0 0 417.534 5.443 40 30 HKEBRN COc1cc(C=NNc2ccc3ccccc3n2)ccc1OCc1ccccc1C#N ZINC000408741673 558599856 /nfs/dbraw/zinc/59/98/56/558599856.db2.gz NCYSYMQMGSLIRF-JVWAILMASA-N 0 0 408.461 5.140 40 30 HKEBRN Cc1cc(/C=C2\SC(=Nc3cccc(C)c3)NC2=O)c(C)n1-c1ccc(C)c(C)c1 ZINC000408741686 558599813 /nfs/dbraw/zinc/59/98/13/558599813.db2.gz ROGHXMUGZRNNHZ-UCQKPKSFSA-N 0 0 415.562 5.911 40 30 HKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3c(OC)ccc4ccccc43)S2)cc1 ZINC000408741992 558599899 /nfs/dbraw/zinc/59/98/99/558599899.db2.gz OSRJRDALGKPBNY-KGENOOAVSA-N 0 0 404.491 5.139 40 30 HKEBRN Oc1ccccc1/N=C/c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1 ZINC000408742056 558599846 /nfs/dbraw/zinc/59/98/46/558599846.db2.gz URAXXKJSAQCKSG-MWAVMZGNSA-N 0 0 414.508 7.268 40 30 HKEBRN Cc1cc(/C=C2\SC(=Nc3cccc(Cl)c3)NC2=O)c(C)n1C1CCCCC1 ZINC000408742090 558599863 /nfs/dbraw/zinc/59/98/63/558599863.db2.gz UUVJOSUSMYFCML-NDENLUEZSA-N 0 0 413.974 6.155 40 30 HKEBRN Cc1cc(/C=C2\SC(=Nc3cc(C)cc(C)c3)NC2=O)c(C)n1C1CCCCC1 ZINC000408742132 558600123 /nfs/dbraw/zinc/60/01/23/558600123.db2.gz VAIRTVLGZJGMFX-HMAPJEAMSA-N 0 0 407.583 6.119 40 30 HKEBRN COC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccc(-c4ccccc4)cc3)c2C)cc1 ZINC000408742199 558600294 /nfs/dbraw/zinc/60/02/94/558600294.db2.gz NVBAELHAOXBWFV-MTDXEUNCSA-N 0 0 408.501 6.298 40 30 HKEBRN C=CCOc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)OC2=O)cc1Br ZINC000408742203 558600570 /nfs/dbraw/zinc/60/05/70/558600570.db2.gz NYFJKLQDLPXUNK-XNTDXEJSSA-N 0 0 417.686 5.649 40 30 HKEBRN N#Cc1ccccc1COc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)OC2=O)cc1 ZINC000408742207 558600636 /nfs/dbraw/zinc/60/06/36/558600636.db2.gz NZEHDPGQADMXMO-FYJGNVAPSA-N 0 0 413.860 5.772 40 30 HKEBRN Fc1ccc(/N=C/c2cc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)cc1 ZINC000408742358 557808875 /nfs/dbraw/zinc/80/88/75/557808875.db2.gz WESYBVGSSVWIRV-NJZRLIGZSA-N 0 0 416.499 7.701 40 30 HKEBRN COC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccc(Cl)c(C(=O)OC)c3)c2C)cc1 ZINC000408742505 558600621 /nfs/dbraw/zinc/60/06/21/558600621.db2.gz PJABPXFHMOWUKX-DHRITJCHSA-N 0 0 424.884 5.071 40 30 HKEBRN COc1cc(/C=N/c2sc3c(c2C#N)CCCC3)cc(Br)c1OC ZINC000408742666 558600627 /nfs/dbraw/zinc/60/06/27/558600627.db2.gz XQUGFVNBWGZCAJ-UFFVCSGVSA-N 0 0 405.317 5.029 40 30 HKEBRN Cc1cc(/C=N/c2sc3c(c2C#N)CCCC3)c(C)n1-c1ccc([N+](=O)[O-])cc1 ZINC000408743027 558600643 /nfs/dbraw/zinc/60/06/43/558600643.db2.gz YRCQJHRQLFMFKM-ZMOGYAJESA-N 0 0 404.495 5.565 40 30 HKEBRN Cc1cc(/C=C2\SC(=Nc3ccc(Cl)cc3)NC2=O)c(C)n1C1CCCCC1 ZINC000408743110 558600579 /nfs/dbraw/zinc/60/05/79/558600579.db2.gz ZJENOVPPUIBFFI-MOSHPQCFSA-N 0 0 413.974 6.155 40 30 HKEBRN CCOc1ccc(N=C2NC(=O)/C(=C/c3ccc(-c4ccc(Cl)cc4)o3)S2)cc1 ZINC000408743168 558600587 /nfs/dbraw/zinc/60/05/87/558600587.db2.gz VAQKZOYSCSWBJA-MOSHPQCFSA-N 0 0 424.909 5.890 40 30 HKEBRN COc1cc(C=NNc2ccc3ccccc3n2)ccc1OCc1ccc(F)cc1 ZINC000408743180 558600772 /nfs/dbraw/zinc/60/07/72/558600772.db2.gz VCCJPJLWOCUUDN-CVKSISIWSA-N 0 0 401.441 5.408 40 30 HKEBRN CCOc1c(Br)cc(/C=N/c2sc3c(c2C#N)CCCC3)cc1OC ZINC000408743202 558600874 /nfs/dbraw/zinc/60/08/74/558600874.db2.gz ZPVUNFNNTNORBS-SSDVNMTOSA-N 0 0 419.344 5.419 40 30 HKEBRN Cc1cc(/C=N/c2ccc(I)c(C)c2)c(C)n1C1CCCCC1 ZINC000408743249 558600845 /nfs/dbraw/zinc/60/08/45/558600845.db2.gz ZRZZRPPTQSRSDT-LPYMAVHISA-N 0 0 420.338 6.274 40 30 HKEBRN CCOc1ccc(N=C2NC(=O)/C(=C/c3c(OCC)ccc4ccccc43)S2)cc1 ZINC000408743347 558600775 /nfs/dbraw/zinc/60/07/75/558600775.db2.gz VSIMZWKKCIMEBW-JCMHNJIXSA-N 0 0 418.518 5.529 40 30 HKEBRN COC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccc(Cl)c(Cl)c3)c2C)cc1 ZINC000408743393 558600835 /nfs/dbraw/zinc/60/08/35/558600835.db2.gz SOWCIBJYQRVAMO-WYMPLXKRSA-N 0 0 401.293 5.938 40 30 HKEBRN Cc1ccc(C2=C/C(=C\c3cn(Cc4ccccc4C#N)c4ccccc34)C(=O)O2)cc1 ZINC000408743417 558600861 /nfs/dbraw/zinc/60/08/61/558600861.db2.gz TWLMTFOEWWGNGM-OEAKJJBVSA-N 0 0 416.480 5.851 40 30 HKEBRN COC(=O)c1ccc(-n2c(C)cc(/C=N/c3cc(Cl)cc(Cl)c3)c2C)cc1 ZINC000408743681 558601061 /nfs/dbraw/zinc/60/10/61/558601061.db2.gz UGKGVFZUUVMHHZ-WYMPLXKRSA-N 0 0 401.293 5.938 40 30 HKEBRN CCOc1ccc(N=C2NC(=O)/C(=C/c3c4ccccc4cc4ccccc43)S2)cc1 ZINC000408744160 558601189 /nfs/dbraw/zinc/60/11/89/558601189.db2.gz YYXDPNGDADXYJS-JLPGSUDCSA-N 0 0 424.525 6.283 40 30 HKEBRN CCN(CC)c1ccc(/N=C/c2cc(C)n(-c3ccc(C(=O)OC)cc3)c2C)cc1 ZINC000408744280 558601442 /nfs/dbraw/zinc/60/14/42/558601442.db2.gz XQRZHSNXPBPVJQ-YZSQISJMSA-N 0 0 403.526 5.478 40 30 HKEBRN COC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccc(Br)cc3)c2C)cc1 ZINC000408744729 558601619 /nfs/dbraw/zinc/60/16/19/558601619.db2.gz ZPVMHDPZKNORKW-YDZHTSKRSA-N 0 0 411.299 5.394 40 30 HKEBRN O=C1NC(=Nc2cccc(Cl)c2)S/C1=C/c1cccc(OCc2ccccc2)c1 ZINC000408748238 558606419 /nfs/dbraw/zinc/60/64/19/558606419.db2.gz AOVVBLGSRXSWQJ-FYJGNVAPSA-N 0 0 420.921 5.811 40 30 HKEBRN O=C1NC(=Nc2cccc(Cl)c2)S/C1=C/c1ccc(-c2cccc(Cl)c2)o1 ZINC000408748538 558606990 /nfs/dbraw/zinc/60/69/90/558606990.db2.gz DSPZCGJDFWZZFT-WOJGMQOQSA-N 0 0 415.301 6.145 40 30 HKEBRN CCN(CC)c1ccc(/C=C2/SC(=Nc3cc(Cl)ccc3Cl)NC2=O)cc1 ZINC000408748579 558606911 /nfs/dbraw/zinc/60/69/11/558606911.db2.gz FMRCXZLPKDRJQB-WOJGMQOQSA-N 0 0 420.365 5.731 40 30 HKEBRN CSc1ccc(/C=C2/SC(=Nc3ccccc3Br)NC2=O)cc1 ZINC000408748728 558607171 /nfs/dbraw/zinc/60/71/71/558607171.db2.gz GWSVCYQLZBTQOU-XNTDXEJSSA-N 0 0 405.342 5.063 40 30 HKEBRN CCOc1ccc(/C=C2/SC(=Nc3cc(Cl)ccc3Cl)NC2=O)cc1OC ZINC000408748971 558605632 /nfs/dbraw/zinc/60/56/32/558605632.db2.gz JQYGPGNPBLNUPY-RQZCQDPDSA-N 0 0 423.321 5.292 40 30 HKEBRN O=C1NC(=Nc2cccc(Cl)c2)S/C1=C/c1cccc(Oc2ccccc2)c1 ZINC000408749255 558605737 /nfs/dbraw/zinc/60/57/37/558605737.db2.gz MJNGVDCWXWWIKG-DEDYPNTBSA-N 0 0 406.894 6.024 40 30 HKEBRN O=C1NC(=Nc2cccc(Cl)c2)S/C1=C/c1ccc(OCc2ccccc2)cc1 ZINC000408749303 558605784 /nfs/dbraw/zinc/60/57/84/558605784.db2.gz NMGYZSVEQMDSAQ-FYJGNVAPSA-N 0 0 420.921 5.811 40 30 HKEBRN CC(C)c1ccc(/C=C2/SC(=Nc3ccccc3Br)NC2=O)cc1 ZINC000408749304 558605798 /nfs/dbraw/zinc/60/57/98/558605798.db2.gz NMRKYWLNPXLPDX-GZTJUZNOSA-N 0 0 401.329 5.464 40 30 HKEBRN O=C1NC(=Nc2cccc(Cl)c2)S/C1=C/c1ccccc1OCc1ccccc1 ZINC000408749428 558605766 /nfs/dbraw/zinc/60/57/66/558605766.db2.gz OMFADKSJDPRNRT-FYJGNVAPSA-N 0 0 420.921 5.811 40 30 HKEBRN CCOc1cc(/C=C2/SC(=Nc3ccc(Cl)c(Cl)c3)NC2=O)ccc1OC ZINC000408749596 558606005 /nfs/dbraw/zinc/60/60/05/558606005.db2.gz RBACYSYOFPDXKY-RQZCQDPDSA-N 0 0 423.321 5.292 40 30 HKEBRN O=[N+]([O-])c1ccc(N=NCc2ccc(OCc3ccc(Cl)cc3Cl)cc2)nc1 ZINC000408749631 558605920 /nfs/dbraw/zinc/60/59/20/558605920.db2.gz ICQAQETUTUUGOB-RMORIDSASA-N 0 0 417.252 5.322 40 30 HKEBRN CCN(CC)c1ccc(/C=C2/SC(=Nc3ccc(Cl)c(Cl)c3)NC2=O)cc1 ZINC000408749761 558609120 /nfs/dbraw/zinc/60/91/20/558609120.db2.gz TVMPNLGKTHFXMR-WOJGMQOQSA-N 0 0 420.365 5.731 40 30 HKEBRN Cc1cc(CN=Nc2ccc([N+](=O)[O-])cn2)c(C)n1-c1cc(Cl)ccc1Cl ZINC000408749928 558609094 /nfs/dbraw/zinc/60/90/94/558609094.db2.gz JZIHZVAPAIIINF-AFPJDJCSSA-N 0 0 404.257 5.150 40 30 HKEBRN COc1ccc(Br)cc1/C=C1/SC(=Nc2cccc(Cl)c2)NC1=O ZINC000408749929 558609071 /nfs/dbraw/zinc/60/90/71/558609071.db2.gz VCRJMFRTVOBNFM-OVCLIPMQSA-N 0 0 423.719 5.003 40 30 HKEBRN CCOc1cc(/C=C2/SC(=Nc3cc(Cl)ccc3Cl)NC2=O)ccc1OC ZINC000408749949 558609036 /nfs/dbraw/zinc/60/90/36/558609036.db2.gz VGQNENFQWANLAQ-RQZCQDPDSA-N 0 0 423.321 5.292 40 30 HKEBRN N#Cc1ccccc1CSc1nc2ccc(NC(=O)c3ccccc3)cc2s1 ZINC000408750116 558609285 /nfs/dbraw/zinc/60/92/85/558609285.db2.gz KNVSXPKYCAFTLQ-UHFFFAOYSA-N 0 0 401.516 5.713 40 30 HKEBRN Cc1ccc(C(=O)Nc2ccc3nc(SCc4ccccc4C#N)sc3c2)cc1 ZINC000408750328 558607824 /nfs/dbraw/zinc/60/78/24/558607824.db2.gz LNQROOOCSOVJDV-UHFFFAOYSA-N 0 0 415.543 6.021 40 30 HKEBRN Cc1ccccc1C(=O)Nc1ccc2nc(SCc3ccccc3C#N)sc2c1 ZINC000408750336 558607761 /nfs/dbraw/zinc/60/77/61/558607761.db2.gz LQBXASIYALGFIB-UHFFFAOYSA-N 0 0 415.543 6.021 40 30 HKEBRN Cc1cc(CN=Nc2ccc([N+](=O)[O-])cn2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000408750708 558607985 /nfs/dbraw/zinc/60/79/85/558607985.db2.gz QRMFKSUVOOMTES-AFPJDJCSSA-N 0 0 404.257 5.150 40 30 HKEBRN Cc1cc(CN=Nc2ccc([N+](=O)[O-])cn2)c(C)n1-c1cccc(Cl)c1Cl ZINC000408750903 558608215 /nfs/dbraw/zinc/60/82/15/558608215.db2.gz TYVBGVQYBALSRH-AFPJDJCSSA-N 0 0 404.257 5.150 40 30 HKEBRN O=[N+]([O-])c1ccc(N=NCc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)nc1 ZINC000408750974 558608196 /nfs/dbraw/zinc/60/81/96/558608196.db2.gz UVGUFEMMSPONBO-RMORIDSASA-N 0 0 417.252 5.322 40 30 HKEBRN O=C1NC(=Nc2ccc(Cl)cc2)S/C1=C/c1cccc(Oc2ccccc2)c1 ZINC000408751705 558608410 /nfs/dbraw/zinc/60/84/10/558608410.db2.gz AHLFPWHXCYLGKO-XSFVSMFZSA-N 0 0 406.894 6.024 40 30 HKEBRN O=C1NC(=Nc2ccc(Cl)cc2)S/C1=C/c1ccccc1OCc1ccccc1 ZINC000408751807 558608368 /nfs/dbraw/zinc/60/83/68/558608368.db2.gz BYVXEEVRJKQVMV-KGENOOAVSA-N 0 0 420.921 5.811 40 30 HKEBRN Cc1cc(CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)n1-c1cccc(Cl)c1 ZINC000408751888 558608448 /nfs/dbraw/zinc/60/84/48/558608448.db2.gz DMABCQAKWUBQGU-SRZZPIQSSA-N 0 0 413.821 5.010 40 30 HKEBRN CCc1ccc(N=C2NC(=O)/C(=C/c3cc(C)n(-c4ccccc4C)c3C)S2)cc1 ZINC000408752185 558608713 /nfs/dbraw/zinc/60/87/13/558608713.db2.gz BXENBOXKNLWKEO-HAHDFKILSA-N 0 0 415.562 5.857 40 30 HKEBRN Cc1cc(/C=C2\SC(=Nc3ccccc3C)NC2=O)c(C)n1-c1cccc(C)c1 ZINC000408752299 558608893 /nfs/dbraw/zinc/60/88/93/558608893.db2.gz HOVLSJXSAPVNEF-HMAPJEAMSA-N 0 0 401.535 5.603 40 30 HKEBRN CC(C)c1ccc(/C=C2/SC(=Nc3ccc([N+](=O)[O-])cc3Cl)NC2=O)cc1 ZINC000408752454 558608903 /nfs/dbraw/zinc/60/89/03/558608903.db2.gz HZARMRATPBZMJV-RQZCQDPDSA-N 0 0 401.875 5.263 40 30 HKEBRN COC(=O)c1ccc(Cl)c(/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)c1 ZINC000408752667 558609029 /nfs/dbraw/zinc/60/90/29/558609029.db2.gz FYAABBACVFBQFG-WYMPLXKRSA-N 0 0 401.293 5.938 40 30 HKEBRN CCCCOC(=O)c1ccc(/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1 ZINC000408752785 558610013 /nfs/dbraw/zinc/61/00/13/558610013.db2.gz CELVZWITIDYCCQ-WGOQTCKBSA-N 0 0 408.929 6.455 40 30 HKEBRN CCc1ccc(N=C2NC(=O)C(=Cc3ccc(-c4ccc(C(C)=O)cc4)o3)S2)cc1 ZINC000408753099 558610789 /nfs/dbraw/zinc/61/07/89/558610789.db2.gz LIQDRXQJNJGEQR-HMAPJEAMSA-N 0 0 416.502 5.603 40 30 HKEBRN Cc1cc([N+](=O)[O-])ccc1N=C1NC(=O)/C(=C\c2ccc(Cl)cc2Cl)S1 ZINC000408753351 558611050 /nfs/dbraw/zinc/61/10/50/558611050.db2.gz OEHABNQRXPKHNX-VIZOYTHASA-N 0 0 408.266 5.102 40 30 HKEBRN COC(=O)c1cc(/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)ccc1Cl ZINC000408753541 558611073 /nfs/dbraw/zinc/61/10/73/558611073.db2.gz ARILAUZGNKTSEP-WYMPLXKRSA-N 0 0 401.293 5.938 40 30 HKEBRN Cc1cc(/C=C2\SC(=Nc3cccc(C)c3C)NC2=O)c(C)n1-c1cccc(C)c1 ZINC000408753596 558611265 /nfs/dbraw/zinc/61/12/65/558611265.db2.gz JRTSJNKNPSFSKY-UCQKPKSFSA-N 0 0 415.562 5.911 40 30 HKEBRN Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(OC(=O)c4ccccc4)cc3)S2)cc1 ZINC000408753629 558611305 /nfs/dbraw/zinc/61/13/05/558611305.db2.gz JXLPOERUISEPLP-QNGOZBTKSA-N 0 0 414.486 5.106 40 30 HKEBRN O=C1NC(=Nc2ccc(Cl)cc2)S/C1=C\c1ccc(Sc2ccccc2)o1 ZINC000408753713 558611483 /nfs/dbraw/zinc/61/14/83/558611483.db2.gz HIXHQARDXKAHIF-ATVHPVEESA-N 0 0 412.923 5.976 40 30 HKEBRN CCc1ccc(N=C2NC(=O)/C(=C/c3ccc(-c4cc(Cl)ccc4C)o3)S2)cc1 ZINC000408753733 558611514 /nfs/dbraw/zinc/61/15/14/558611514.db2.gz HPDSCVQOFOAZNO-BKUYFWCQSA-N 0 0 422.937 6.362 40 30 HKEBRN C=CCn1c(C)c(/C=C2\SC(=Nc3ccc(CC)cc3)NC2=O)c2ccccc21 ZINC000408753734 558611525 /nfs/dbraw/zinc/61/15/25/558611525.db2.gz BZCRNERQTBHLSC-JCMHNJIXSA-N 0 0 401.535 5.590 40 30 HKEBRN O=C1NC(=Nc2ccc(Cl)cc2)S/C1=C/c1ccc(OCc2ccccc2)cc1 ZINC000408753873 558611418 /nfs/dbraw/zinc/61/14/18/558611418.db2.gz RFMBGPITSGAIIW-KGENOOAVSA-N 0 0 420.921 5.811 40 30 HKEBRN C=CCOc1ccc(/C=C2\SC(=Nc3ccc(CC)cc3)NC2=O)cc1OCC ZINC000408754016 558611629 /nfs/dbraw/zinc/61/16/29/558611629.db2.gz PDHKBPLRBSTFKL-QNGOZBTKSA-N 0 0 408.523 5.104 40 30 HKEBRN Cc1cc(/C=C2\SC(=Nc3cccc(Cl)c3)NC2=O)c(C)n1-c1cccc(C)c1 ZINC000408754319 558611979 /nfs/dbraw/zinc/61/19/79/558611979.db2.gz MPUHXPORJFJHCD-MTJSOVHGSA-N 0 0 421.953 5.948 40 30 HKEBRN CCc1ccc(N=C2NC(=O)C(=Cc3ccc(-c4cccc(C(C)=O)c4)o3)S2)cc1 ZINC000408754386 558612015 /nfs/dbraw/zinc/61/20/15/558612015.db2.gz KDBIZPIJPNAHIK-HMAPJEAMSA-N 0 0 416.502 5.603 40 30 HKEBRN CC(C)c1ccc(/C=C2/SC(=Nc3ccc(Cl)cc3[N+](=O)[O-])NC2=O)cc1 ZINC000408754557 558612316 /nfs/dbraw/zinc/61/23/16/558612316.db2.gz WHOKYMMESGTJPX-RQZCQDPDSA-N 0 0 401.875 5.263 40 30 HKEBRN CCc1ccc(N=C2NC(=O)/C(=C/c3ccccc3OCc3ccccc3)S2)cc1 ZINC000408754816 558612588 /nfs/dbraw/zinc/61/25/88/558612588.db2.gz OIKMWELFNICKQG-KQWNVCNZSA-N 0 0 414.530 5.720 40 30 HKEBRN Cc1cc(/C=N\c2ccccc2I)c(C)n1-c1cccc(C)c1 ZINC000408754987 558612864 /nfs/dbraw/zinc/61/28/64/558612864.db2.gz LZRWOBRMIMUCAS-XKZIYDEJSA-N 0 0 414.290 5.758 40 30 HKEBRN CC(C)c1ccc(/C=C2/SC(=Nc3ccc(Br)cc3)NC2=O)cc1 ZINC000408754999 558612875 /nfs/dbraw/zinc/61/28/75/558612875.db2.gz XRBKJHZLZVDQFI-GZTJUZNOSA-N 0 0 401.329 5.464 40 30 HKEBRN Cc1cc(/C=N\c2ccc(I)cc2)c(C)n1-c1cccc(C)c1 ZINC000408755107 558612842 /nfs/dbraw/zinc/61/28/42/558612842.db2.gz TZNJPBVGFACNET-XKZIYDEJSA-N 0 0 414.290 5.758 40 30 HKEBRN Cc1cc(/C=N/c2ccc(Br)c(Cl)c2)c(C)n1-c1cccc(Cl)c1 ZINC000408755345 558612877 /nfs/dbraw/zinc/61/28/77/558612877.db2.gz UFKHKFCHGWEBTP-FOKLQQMPSA-N 0 0 422.153 6.914 40 30 HKEBRN CCCc1sc(N=NCc2ccc(Cl)c([N+](=O)[O-])c2)nc1-c1ccc(C)cc1 ZINC000408755361 557817317 /nfs/dbraw/zinc/81/73/17/557817317.db2.gz KUPYKCWVNYRUDP-WSDLNYQXSA-N 0 0 414.918 6.079 40 30 HKEBRN Cc1cc(C=C2C(=O)c3ccccc3C2=O)c(C)n1-c1ccc(-c2ccccc2)cc1 ZINC000408755866 558613297 /nfs/dbraw/zinc/61/32/97/558613297.db2.gz NPBDWKXTEDGRMF-UHFFFAOYSA-N 0 0 403.481 6.224 40 30 HKEBRN Cc1ccc(/C=C2\SC(=Nc3cc(C)c(Br)c(C)c3)NC2=O)cc1 ZINC000408756068 557817774 /nfs/dbraw/zinc/81/77/74/557817774.db2.gz QSJKJWUNFJRVIJ-YBEGLDIGSA-N 0 0 401.329 5.266 40 30 HKEBRN Cc1cc(/C=N\c2ccc(Br)cc2C)c(C)n1-c1cccc(Cl)c1 ZINC000408756086 558617480 /nfs/dbraw/zinc/61/74/80/558617480.db2.gz XMAAEOULQQKZOW-FMCGGJTJSA-N 0 0 401.735 6.569 40 30 HKEBRN CCc1ccc(N=C2NC(=O)/C(=C/c3cc(C)n(-c4ccccc4F)c3C)S2)cc1 ZINC000408756245 558613533 /nfs/dbraw/zinc/61/35/33/558613533.db2.gz YIDSPJFKAJPNOF-HMAPJEAMSA-N 0 0 419.525 5.687 40 30 HKEBRN CCCc1sc([N-][NH+]=Cc2ccc(N(CC)CC)cc2)nc1-c1ccc(C)cc1 ZINC000408756299 558613565 /nfs/dbraw/zinc/61/35/65/558613565.db2.gz PTCGUWVIEADNOJ-KOEQRZSOSA-N 0 0 406.599 6.363 40 30 HKEBRN Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(Sc4ccccc4)o3)S2)c(C)c1 ZINC000408756472 558613491 /nfs/dbraw/zinc/61/34/91/558613491.db2.gz SCHKCTPJDVOJNX-UYRXBGFRSA-N 0 0 406.532 5.939 40 30 HKEBRN CCOc1ccc2ccccc2c1/C=C1\SC(=Nc2ccc(CC)cc2)NC1=O ZINC000408756500 558613458 /nfs/dbraw/zinc/61/34/58/558613458.db2.gz SLDLLJLQBVPMBF-JCMHNJIXSA-N 0 0 402.519 5.693 40 30 HKEBRN Cc1cc(N=C2NC(=O)/C(=C/c3ccc(Cl)cc3)S2)cc(C)c1Br ZINC000408756569 558613631 /nfs/dbraw/zinc/61/36/31/558613631.db2.gz WECWSSSBCWWWKP-DHDCSXOGSA-N 0 0 421.747 5.611 40 30 HKEBRN CCCCOC(=O)c1ccc(/N=C/c2cc(C)n(-c3ccc(CC)cc3)c2C)cc1 ZINC000408756926 558613948 /nfs/dbraw/zinc/61/39/48/558613948.db2.gz VIYWMGFCSLNWFF-OVVQPSECSA-N 0 0 402.538 6.364 40 30 HKEBRN CCc1ccc(N=C2NC(=O)/C(=C/c3c4ccccc4cc4ccccc43)S2)cc1 ZINC000408757085 558613960 /nfs/dbraw/zinc/61/39/60/558613960.db2.gz ZPOPYRGZWMMUDG-JLPGSUDCSA-N 0 0 408.526 6.447 40 30 HKEBRN COc1ccc(N=C2NC(=O)/C(=C/c3cccc(Oc4ccccc4)c3)S2)cc1 ZINC000408757279 558614164 /nfs/dbraw/zinc/61/41/64/558614164.db2.gz XWIKLYZDQZFBPV-QNGOZBTKSA-N 0 0 402.475 5.379 40 30 HKEBRN CCCc1sc(N=NCc2ccc(Br)o2)nc1-c1ccc(C)cc1 ZINC000408757532 558747697 /nfs/dbraw/zinc/74/76/97/558747697.db2.gz ZHLBSUIQSRMCGR-RGVLZGJSSA-N 0 0 404.333 5.873 40 30 HKEBRN Cc1cc(N=C2NC(=O)/C(=C/c3ccc(F)cc3)S2)cc(C)c1Br ZINC000408757842 558614876 /nfs/dbraw/zinc/61/48/76/558614876.db2.gz CZWALTZAQVHXPK-DHDCSXOGSA-N 0 0 405.292 5.097 40 30 HKEBRN CCc1ccc(N=C2NC(=O)/C(=C/c3cc(C)n(-c4ccc(O)cc4)c3C)S2)cc1 ZINC000408758062 558615445 /nfs/dbraw/zinc/61/54/45/558615445.db2.gz GGAZJKHTMQMEHU-HMAPJEAMSA-N 0 0 417.534 5.254 40 30 HKEBRN Cc1cc(/C=N/c2ccc(Br)c(Cl)c2)c(C)n1-c1cccc(C)c1 ZINC000408758230 558615837 /nfs/dbraw/zinc/61/58/37/558615837.db2.gz HRSPTWOIMLVEIA-FSJBWODESA-N 0 0 401.735 6.569 40 30 HKEBRN N#Cc1cc([N+](=O)[O-])cc2c1N[C@@H](c1ccc(OCc3ccccc3)cc1)[C@H]1CC=C[C@@H]21 ZINC000408758268 558615845 /nfs/dbraw/zinc/61/58/45/558615845.db2.gz HXQHLEHVOMKJPV-CUYJMHBOSA-N 0 0 423.472 5.872 40 30 HKEBRN CCOc1c(Cl)cc(/C=C2\SC(=Nc3ccc(CC)cc3)NC2=O)cc1OC ZINC000408758592 559271327 /nfs/dbraw/zinc/27/13/27/559271327.db2.gz NISMWWYBVSEPPW-PDGQHHTCSA-N 0 0 416.930 5.201 40 30 HKEBRN Cc1cccc(N=C2NC(=O)/C(=C/c3ccc(Sc4ccccc4)o3)S2)c1C ZINC000408758787 559271329 /nfs/dbraw/zinc/27/13/29/559271329.db2.gz RGCMYLXTPYOGPH-UYRXBGFRSA-N 0 0 406.532 5.939 40 30 HKEBRN COc1ccc(N=C2NC(=O)/C(=C/c3ccc(Sc4ccccc4)o3)S2)cc1 ZINC000408758804 559271358 /nfs/dbraw/zinc/27/13/58/559271358.db2.gz RLKUUAFQZFJQNH-AQTBWJFISA-N 0 0 408.504 5.331 40 30 HKEBRN CCc1ccc(N=C2NC(=O)/C(=C/c3cc(C)n(-c4cccc(C)c4)c3C)S2)cc1 ZINC000408759048 558614153 /nfs/dbraw/zinc/61/41/53/558614153.db2.gz WYOMWAORONFPHY-HAHDFKILSA-N 0 0 415.562 5.857 40 30 HKEBRN CCc1ccc(N=C2NC(=O)/C(=C/c3cccc(Oc4ccccc4)c3)S2)cc1 ZINC000408759099 559272161 /nfs/dbraw/zinc/27/21/61/559272161.db2.gz XTZAPYYCTBMUIL-JWGURIENSA-N 0 0 400.503 5.933 40 30 HKEBRN COc1ccc(N=C2NC(=O)/C(=C/c3cc(C)n(-c4cccc(C)c4)c3C)S2)cc1 ZINC000408759170 559273051 /nfs/dbraw/zinc/27/30/51/559273051.db2.gz ZBVSCSAIBQRVIE-HMAPJEAMSA-N 0 0 417.534 5.303 40 30 HKEBRN CCc1ccc(-n2c(C)cc(/C=C3\SC(=Nc4ccccc4)NC3=O)c2C)cc1 ZINC000408759270 559275091 /nfs/dbraw/zinc/27/50/91/559275091.db2.gz AXTSWLRINYYDHE-JCMHNJIXSA-N 0 0 401.535 5.548 40 30 HKEBRN Cc1cc(/C=N\c2cccc(I)c2)c(C)n1-c1cccc(C)c1 ZINC000408759361 559275571 /nfs/dbraw/zinc/27/55/71/559275571.db2.gz CSWVOHIVZLLUQB-XKZIYDEJSA-N 0 0 414.290 5.758 40 30 HKEBRN CCOc1cc(/C=C2\SC(=Nc3ccc(CC)cc3)NC2=O)cc(Cl)c1OC ZINC000408759654 559275739 /nfs/dbraw/zinc/27/57/39/559275739.db2.gz ITPBFKOVLXVJJP-PDGQHHTCSA-N 0 0 416.930 5.201 40 30 HKEBRN Cc1cc(/C=C2\SC(=Nc3ccc(C)cc3)NC2=O)c(C)n1-c1cccc(Cl)c1 ZINC000408759778 559275769 /nfs/dbraw/zinc/27/57/69/559275769.db2.gz LLBDUADAXUZVBS-MTJSOVHGSA-N 0 0 421.953 5.948 40 30 HKEBRN CCc1ccc(-n2c(C)cc(/C=C3\SC(=Nc4cccc(C)c4)NC3=O)c2C)cc1 ZINC000408759864 559275781 /nfs/dbraw/zinc/27/57/81/559275781.db2.gz NBVLIMJVZHSLMX-HAHDFKILSA-N 0 0 415.562 5.857 40 30 HKEBRN Cc1cc(/C=N/c2ccc(Br)c(C)c2)c(C)n1-c1cccc(Cl)c1 ZINC000408759872 559275918 /nfs/dbraw/zinc/27/59/18/559275918.db2.gz NGMKZPZPUXJPTB-FSJBWODESA-N 0 0 401.735 6.569 40 30 HKEBRN COc1ccc(N=C2NC(=O)/C(=C/c3ccc(-c4ccc(Cl)cc4)o3)S2)cc1 ZINC000408759934 559275898 /nfs/dbraw/zinc/27/58/98/559275898.db2.gz OMAJXBSSGCETJF-UNOMPAQXSA-N 0 0 410.882 5.500 40 30 HKEBRN COc1ccc(N=C2NC(=O)/C(=C/c3cccc(OCc4ccccc4)c3)S2)cc1 ZINC000408759948 559275966 /nfs/dbraw/zinc/27/59/66/559275966.db2.gz OTDYBMIALVABQQ-JCMHNJIXSA-N 0 0 416.502 5.166 40 30 HKEBRN Cc1cc(N=C2NC(=O)/C(=C/c3ccccc3F)S2)cc(C)c1Br ZINC000408760186 559275927 /nfs/dbraw/zinc/27/59/27/559275927.db2.gz UBPDTMKAXHWBJV-DHDCSXOGSA-N 0 0 405.292 5.097 40 30 HKEBRN CCc1ccc(-n2c(C)cc(/C=N/c3ccc(Oc4ccc(OC)cc4)cc3)c2C)cc1 ZINC000408760231 558619752 /nfs/dbraw/zinc/61/97/52/558619752.db2.gz UVYSCASZPNKCEO-VUTHCHCSSA-N 0 0 424.544 7.208 40 30 HKEBRN Cc1cc(/C=C2\SC(=Nc3cccc(C)c3)NC2=O)c(C)n1-c1cccc(Cl)c1 ZINC000408760314 558619729 /nfs/dbraw/zinc/61/97/29/558619729.db2.gz WNPJKSCWJFWSSN-MTJSOVHGSA-N 0 0 421.953 5.948 40 30 HKEBRN N#Cc1cc([N+](=O)[O-])cc2c1N[C@@H](c1ccccc1OCc1ccccc1)[C@H]1CC=C[C@@H]21 ZINC000408760447 558619909 /nfs/dbraw/zinc/61/99/09/558619909.db2.gz YUGCBATZVHKKCA-YZIHRLCOSA-N 0 0 423.472 5.872 40 30 HKEBRN Cc1ccc(C)n1-c1ccc(/N=C\c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1 ZINC000408760475 558619920 /nfs/dbraw/zinc/61/99/20/558619920.db2.gz ZDNXJYYQDRJYPQ-YUMHPJSZSA-N 0 0 401.941 6.906 40 30 HKEBRN CCc1ccc(N=C2NC(=O)/C(=C\c3cc(C)n(-c4ccccc4)c3C)S2)cc1 ZINC000408760565 558619978 /nfs/dbraw/zinc/61/99/78/558619978.db2.gz AWTDNDZNANCMME-PXLXIMEGSA-N 0 0 401.535 5.548 40 30 HKEBRN C=CCOc1ccc(/C=C2\SC(=Nc3ccc(CC)cc3)NC2=O)cc1CC=C ZINC000408760668 559276025 /nfs/dbraw/zinc/27/60/25/559276025.db2.gz CPWLLMSHFMEIBX-JWGURIENSA-N 0 0 404.535 5.434 40 30 HKEBRN CCc1ccc(-n2c(C)cc(/C=C3\SC(=Nc4ccccc4C)NC3=O)c2C)cc1 ZINC000408760674 559276023 /nfs/dbraw/zinc/27/60/23/559276023.db2.gz CVFAFRLUAGKLJA-HAHDFKILSA-N 0 0 415.562 5.857 40 30 HKEBRN Cc1cc(/C=C2\SC(=Nc3ccc(C)cc3)NC2=O)c(C)n1-c1cccc(C)c1 ZINC000408760760 558617625 /nfs/dbraw/zinc/61/76/25/558617625.db2.gz FOPNUOCETQGYSF-HMAPJEAMSA-N 0 0 401.535 5.603 40 30 HKEBRN COc1ccc(Oc2ccc(/N=C/c3cc(C)n(-c4cccc(C)c4)c3C)cc2)cc1 ZINC000408760791 559276085 /nfs/dbraw/zinc/27/60/85/559276085.db2.gz GCLISFGGNVDYIR-MTDXEUNCSA-N 0 0 410.517 6.954 40 30 HKEBRN Cc1cc(/C=C2\SC(=Nc3ccc(C)cc3C)NC2=O)c(C)n1-c1cccc(C)c1 ZINC000408760876 559276097 /nfs/dbraw/zinc/27/60/97/559276097.db2.gz ANYSTSUHRBICLV-UCQKPKSFSA-N 0 0 415.562 5.911 40 30 HKEBRN Cc1cc(N=C2NC(=O)/C(=C/c3cccc(Cl)c3)S2)cc(C)c1Br ZINC000408761008 559276099 /nfs/dbraw/zinc/27/60/99/559276099.db2.gz BQPXTZFQPGPGGP-DHDCSXOGSA-N 0 0 421.747 5.611 40 30 HKEBRN CCc1ccc(N=C2NC(=O)/C(=C/c3cc(C)n(C4CCCCC4)c3C)S2)cc1 ZINC000408761552 558618404 /nfs/dbraw/zinc/61/84/04/558618404.db2.gz GPKCMRCRQMKWOM-JCMHNJIXSA-N 0 0 407.583 6.064 40 30 HKEBRN CCc1ccc(N=C2NC(=O)/C(=C/c3ccc(Sc4ccccc4)o3)S2)cc1 ZINC000408761584 558618471 /nfs/dbraw/zinc/61/84/71/558618471.db2.gz GNRLMBUHVRDUFO-RGEXLXHISA-N 0 0 406.532 5.885 40 30 HKEBRN Cc1cc(/C=C2\SC(=Nc3ccc(F)cc3)NC2=O)c(C)n1-c1cccc(C)c1 ZINC000408761722 559276268 /nfs/dbraw/zinc/27/62/68/559276268.db2.gz BBQJWOPIGBFEIW-BKUYFWCQSA-N 0 0 405.498 5.433 40 30 HKEBRN C=CCc1cc(/C=C2\SC(=Nc3ccc(CC)cc3)NC2=O)cc(OC)c1OCC ZINC000408761922 558618732 /nfs/dbraw/zinc/61/87/32/558618732.db2.gz IILRUFCGAIKWNM-QNGOZBTKSA-N 0 0 422.550 5.276 40 30 HKEBRN C=CCc1cc(/C=C2\SC(=Nc3ccc(CC)cc3)NC2=O)cc(OCC)c1OC ZINC000408761949 558618694 /nfs/dbraw/zinc/61/86/94/558618694.db2.gz ISWDVNXCHLWIIN-QNGOZBTKSA-N 0 0 422.550 5.276 40 30 HKEBRN CCc1ccc(N=C2NC(=O)/C(=C/c3ccc(OCc4ccccc4)cc3)S2)cc1 ZINC000408761989 559276293 /nfs/dbraw/zinc/27/62/93/559276293.db2.gz IRFLCJMOTPWKEV-KQWNVCNZSA-N 0 0 414.530 5.720 40 30 HKEBRN Cc1cc(/C=C2\SC(=Nc3ccccc3)NC2=O)c(C)n1-c1cccc(Cl)c1 ZINC000408761998 559276394 /nfs/dbraw/zinc/27/63/94/559276394.db2.gz IXQYBEMBVIMNIJ-NDENLUEZSA-N 0 0 407.926 5.639 40 30 HKEBRN Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)S2)cc1 ZINC000408762019 559276349 /nfs/dbraw/zinc/27/63/49/559276349.db2.gz JLFVFGBXFGCOGV-NDENLUEZSA-N 0 0 419.462 5.363 40 30 HKEBRN Cc1ccsc1/C=C1\SC(=Nc2cc(C)c(Br)c(C)c2)NC1=O ZINC000408762253 558618865 /nfs/dbraw/zinc/61/88/65/558618865.db2.gz JSVDKNQCUMWAJS-ZSOIEALJSA-N 0 0 407.358 5.327 40 30 HKEBRN CCc1ccc(N=C2NC(=O)/C(=C/c3cc(Cl)c(OC)c(Cl)c3)S2)cc1 ZINC000408762446 560559480 /nfs/dbraw/zinc/55/94/80/560559480.db2.gz KSUALCQDNFWLJL-YBEGLDIGSA-N 0 0 407.322 5.456 40 30 HKEBRN Cc1cc(N=C2NC(=O)/C(=C/c3ccccc3Cl)S2)cc(C)c1Br ZINC000408762448 560559414 /nfs/dbraw/zinc/55/94/14/560559414.db2.gz KTWDYXKWZMGURW-DHDCSXOGSA-N 0 0 421.747 5.611 40 30 HKEBRN CC(C)(C)c1cc(/C=C2\SC(=Nc3ccccc3)NC2=O)cc(C(C)(C)C)c1O ZINC000408762526 558619171 /nfs/dbraw/zinc/61/91/71/558619171.db2.gz OTAFIEHVHFTDQN-RGEXLXHISA-N 0 0 408.567 5.879 40 30 HKEBRN Cc1cc(N=C2NC(=O)/C(=C/c3cccc(F)c3)S2)cc(C)c1Br ZINC000408762818 558619451 /nfs/dbraw/zinc/61/94/51/558619451.db2.gz GJEGZLOBMRSERT-DHDCSXOGSA-N 0 0 405.292 5.097 40 30 HKEBRN Cc1cc(/C=C2\SC(=Nc3cc(C)cc(C)c3)NC2=O)c(C)n1-c1cccc(C)c1 ZINC000408763300 558622698 /nfs/dbraw/zinc/62/26/98/558622698.db2.gz RZDOCJNYSUHYSH-UCQKPKSFSA-N 0 0 415.562 5.911 40 30 HKEBRN CCc1ccc(N=C2NC(=O)/C(=C\c3cc(C)n(-c4ccc(C)cc4)c3C)S2)cc1 ZINC000408763396 558620205 /nfs/dbraw/zinc/62/02/05/558620205.db2.gz NTBHCHYFMAXLBN-HZHRSRAPSA-N 0 0 415.562 5.857 40 30 HKEBRN CCc1ccc(-n2c(C)cc(/C=C3\SC(=Nc4ccc(C)cc4)NC3=O)c2C)cc1 ZINC000408763893 558622013 /nfs/dbraw/zinc/62/20/13/558622013.db2.gz PQLBXVSTRLOTGU-HAHDFKILSA-N 0 0 415.562 5.857 40 30 HKEBRN Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(Sc4ccccc4)o3)S2)cc1C ZINC000408764286 558622188 /nfs/dbraw/zinc/62/21/88/558622188.db2.gz QYVXDRLUTFETEH-UYRXBGFRSA-N 0 0 406.532 5.939 40 30 HKEBRN Cc1ccccc1/C=C1\SC(=Nc2cc(C)c(Br)c(C)c2)NC1=O ZINC000408764367 558622357 /nfs/dbraw/zinc/62/23/57/558622357.db2.gz MLTPFFAEZSAGMH-YBEGLDIGSA-N 0 0 401.329 5.266 40 30 HKEBRN Cc1cc(N=C2NC(=O)/C(=C/C=C/c3ccco3)S2)cc(C)c1Br ZINC000408764459 558622371 /nfs/dbraw/zinc/62/23/71/558622371.db2.gz ITBKEBHMGAVBAU-MOOXIKRDSA-N 0 0 403.301 5.107 40 30 HKEBRN Cc1cc(N=C2NC(=O)/C(=C/C=C/c3ccccc3)S2)cc(C)c1Br ZINC000408764569 558622350 /nfs/dbraw/zinc/62/23/50/558622350.db2.gz XMRNVISKJGZBAG-XEWCJNAKSA-N 0 0 413.340 5.514 40 30 HKEBRN Cc1cc(/C=C2\SC(=Nc3ccc(C)c(C)c3)NC2=O)c(C)n1-c1cccc(C)c1 ZINC000408764800 558622426 /nfs/dbraw/zinc/62/24/26/558622426.db2.gz YIAWVYJCKOECBA-UCQKPKSFSA-N 0 0 415.562 5.911 40 30 HKEBRN COc1ccc(/C=C2/C=C(c3ccc(Cl)cc3)N(c3ccc(C#N)cc3)C2=O)cc1 ZINC000408765255 558624338 /nfs/dbraw/zinc/62/43/38/558624338.db2.gz OQCRFMSVAZBCSK-ZHZULCJRSA-N 0 0 412.876 5.692 40 30 HKEBRN COc1ccc(N=C2NC(=O)/C(=C/c3ccccc3OCc3ccccc3)S2)cc1 ZINC000408765379 558624803 /nfs/dbraw/zinc/62/48/03/558624803.db2.gz LKFHKSWSGAYMCD-JCMHNJIXSA-N 0 0 416.502 5.166 40 30 HKEBRN Cc1cccc(/C=C2\SC(=Nc3cc(C)c(Br)c(C)c3)NC2=O)c1 ZINC000408765410 558625274 /nfs/dbraw/zinc/62/52/74/558625274.db2.gz PKLDUMDTRDZALN-YBEGLDIGSA-N 0 0 401.329 5.266 40 30 HKEBRN O=C(Oc1ccc(/C=C2\SC(=Nc3ccc(Cl)cc3)NC2=O)cc1)c1ccco1 ZINC000408765451 558625421 /nfs/dbraw/zinc/62/54/21/558625421.db2.gz WBYQIWXDGHMTSP-PDGQHHTCSA-N 0 0 424.865 5.044 40 30 HKEBRN CCOc1ccc(N=C2NC(=O)/C(=C/c3ccc(Sc4ccccc4)o3)S2)cc1 ZINC000408765466 558625416 /nfs/dbraw/zinc/62/54/16/558625416.db2.gz PWABMAKGJXIHNA-RGEXLXHISA-N 0 0 422.531 5.721 40 30 HKEBRN COC(=O)c1ccc(/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1Cl ZINC000408765517 558625895 /nfs/dbraw/zinc/62/58/95/558625895.db2.gz YCSCJMAVEIGLCQ-WYMPLXKRSA-N 0 0 401.293 5.938 40 30 HKEBRN Cc1cc(C)cc(N=C2NC(=O)/C(=C/c3ccc(Sc4ccccc4)o3)S2)c1 ZINC000408765748 558626616 /nfs/dbraw/zinc/62/66/16/558626616.db2.gz XQBILAWFVZALNE-UYRXBGFRSA-N 0 0 406.532 5.939 40 30 HKEBRN CCOc1c(Cl)cc(/C=C2\SC(=Nc3ccc(CC)cc3)NC2=O)cc1Cl ZINC000408766007 558626672 /nfs/dbraw/zinc/62/66/72/558626672.db2.gz YKYYVEBFVPXYBL-BOPFTXTBSA-N 0 0 421.349 5.846 40 30 HKEBRN Cc1ccc(N=C2NC(=O)/C(=C/c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)S2)cc1 ZINC000408766032 558626648 /nfs/dbraw/zinc/62/66/48/558626648.db2.gz OBDBGASQYZWEJC-ZHZULCJRSA-N 0 0 422.594 6.187 40 30 HKEBRN Cc1cc(/C=N\c2ccc(C)cc2Br)c(C)n1-c1cccc(Cl)c1 ZINC000408766126 558626935 /nfs/dbraw/zinc/62/69/35/558626935.db2.gz ZQLCNLWFHMSDTB-FMCGGJTJSA-N 0 0 401.735 6.569 40 30 HKEBRN O=C1NC(=Nc2cccc(Cl)c2)S/C1=C\c1ccc(Sc2ccccc2)o1 ZINC000408766139 558626869 /nfs/dbraw/zinc/62/68/69/558626869.db2.gz PFOUWYPYYRMFPW-ATVHPVEESA-N 0 0 412.923 5.976 40 30 HKEBRN O=C(NCc1ccccc1)c1c(/N=C\c2cccc3ccccc23)sc2c1CCCC2 ZINC000408766227 558626980 /nfs/dbraw/zinc/62/69/80/558626980.db2.gz AHYWOVDNPDHWNK-MIXAMLLLSA-N 0 0 424.569 6.461 40 30 HKEBRN CCc1ccc(-n2c(C)cc(/C=N/c3ccc(Br)c(Cl)c3)c2C)cc1 ZINC000408766445 558626984 /nfs/dbraw/zinc/62/69/84/558626984.db2.gz QRLIRRDQLNPLSC-ZMOGYAJESA-N 0 0 415.762 6.823 40 30 HKEBRN Cc1cc(/C=C2\SC(=Nc3ccccc3C)NC2=O)c(C)n1-c1cccc(Cl)c1 ZINC000408766455 558626857 /nfs/dbraw/zinc/62/68/57/558626857.db2.gz QWNPKZCGZCKKKZ-MTJSOVHGSA-N 0 0 421.953 5.948 40 30 HKEBRN CCOc1ccc(/C=C2\SC(=Nc3ccc(CC)cc3)NC2=O)c2ccccc12 ZINC000408766542 558626969 /nfs/dbraw/zinc/62/69/69/558626969.db2.gz VJBUUCICZYDSNP-JCMHNJIXSA-N 0 0 402.519 5.693 40 30 HKEBRN Cc1cc(/C=C2\SC(=Nc3cccc(C)c3)NC2=O)c(C)n1-c1cccc(C)c1 ZINC000408766927 558626915 /nfs/dbraw/zinc/62/69/15/558626915.db2.gz XCCKUCBFJDPWPD-HMAPJEAMSA-N 0 0 401.535 5.603 40 30 HKEBRN Cc1cc(/C=C2\SC(=Nc3ccc(Cl)cc3)NC2=O)c(C)n1-c1cccc(C)c1 ZINC000408767439 558627145 /nfs/dbraw/zinc/62/71/45/558627145.db2.gz XQJDFWNPXDEXJD-BKUYFWCQSA-N 0 0 421.953 5.948 40 30 HKEBRN Cc1cc(/C=N/c2ccco2)c(C)n1-c1ccc(I)c(C)c1 ZINC000408767488 558627101 /nfs/dbraw/zinc/62/71/01/558627101.db2.gz LGOLLLCFMLPXCQ-RGVLZGJSSA-N 0 0 404.251 5.351 40 30 HKEBRN Cc1cc(/C=C2\SC(=Nc3cccc(Cl)c3)NC2=O)c(C)n1-c1ccc(C)cc1 ZINC000408767799 558626953 /nfs/dbraw/zinc/62/69/53/558626953.db2.gz OMHFGLBISYXCGA-MTJSOVHGSA-N 0 0 421.953 5.948 40 30 HKEBRN O=C(NCc1ccccc1)c1c(/N=C\c2cc(Cl)ccc2O)sc2c1CCCC2 ZINC000408767933 558627813 /nfs/dbraw/zinc/62/78/13/558627813.db2.gz RIJYTWYTHHNTLM-WGARJPEWSA-N 0 0 424.953 5.667 40 30 HKEBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccc(OC)c(Cl)c3)c2C)cc1 ZINC000408768014 558627746 /nfs/dbraw/zinc/62/77/46/558627746.db2.gz RYZKXZCOXQWHLY-AFUMVMLFSA-N 0 0 410.901 5.683 40 30 HKEBRN Cc1cc(/C=N/c2ccc(C3CCCCC3)cc2)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000408768302 560638850 /nfs/dbraw/zinc/63/88/50/560638850.db2.gz FBDPWCNWGOOMTA-YZSQISJMSA-N 0 0 401.510 6.801 40 30 HKEBRN Cc1cc(/C=C2\SC(=Nc3cccc(Cl)c3C)NC2=O)c(C)n1-c1cccnc1 ZINC000408768613 558629716 /nfs/dbraw/zinc/62/97/16/558629716.db2.gz HUPQGIRLBCBBTN-JAIQZWGSSA-N 0 0 422.941 5.343 40 30 HKEBRN Cc1cc(/C=C2\SC(=Nc3cccc(Cl)c3)NC2=O)c(C)n1-c1cccnc1 ZINC000408768864 558630014 /nfs/dbraw/zinc/63/00/14/558630014.db2.gz KOSWNBVTMBUKCN-GRSHGNNSSA-N 0 0 408.914 5.034 40 30 HKEBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccc(C(=O)OC)cc3C)c2C)cc1 ZINC000408769228 558630406 /nfs/dbraw/zinc/63/04/06/558630406.db2.gz POGPGJWRTMPSAS-CVKSISIWSA-N 0 0 418.493 5.116 40 30 HKEBRN Cc1cc(/C=N/c2ccc(Br)c(C)c2)c(C)n1-c1ccc(Cl)cc1 ZINC000408769396 560638937 /nfs/dbraw/zinc/63/89/37/560638937.db2.gz SUQPQHCOMGSLIO-FSJBWODESA-N 0 0 401.735 6.569 40 30 HKEBRN CCCCOC(=O)c1ccc(/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1 ZINC000408769444 560638950 /nfs/dbraw/zinc/63/89/50/560638950.db2.gz VCSLLOSRRPJJDH-WGOQTCKBSA-N 0 0 408.929 6.455 40 30 HKEBRN COc1ccc(/C=N\c2sc3c(c2C(=O)NCc2ccccc2)CCCC3)cc1O ZINC000408769607 558630331 /nfs/dbraw/zinc/63/03/31/558630331.db2.gz WZYLMIHSYCATPS-YSMPRRRNSA-N 0 0 420.534 5.022 40 30 HKEBRN CCN(CC)c1ccc(/C=C2\SC(=Nc3cccc(Cl)c3Cl)NC2=O)o1 ZINC000408771208 560638678 /nfs/dbraw/zinc/63/86/78/560638678.db2.gz DNEFBGCTZLHHPY-UVTDQMKNSA-N 0 0 410.326 5.324 40 30 HKEBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3cc(C(=O)OC)ccc3C)c2C)cc1 ZINC000408771351 560638685 /nfs/dbraw/zinc/63/86/85/560638685.db2.gz HKNDBRPRTFNTEQ-CVKSISIWSA-N 0 0 418.493 5.116 40 30 HKEBRN CC/N=C1\S/C(=C\c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)C(=O)N1CC ZINC000408771367 558631766 /nfs/dbraw/zinc/63/17/66/558631766.db2.gz FYBXFABYFPFOJT-YVADOFBFSA-N 0 0 409.599 5.704 40 30 HKEBRN Cc1cc(/C=N/c2ccc(F)c(Cl)c2)c(C)n1-c1ccc(Br)cc1 ZINC000408771640 560638814 /nfs/dbraw/zinc/63/88/14/560638814.db2.gz HVQOQCKAODJXSF-FOKLQQMPSA-N 0 0 405.698 6.400 40 30 HKEBRN COc1ccc(Oc2ccc(/N=C/c3cc(C)n(-c4ccc(F)cc4)c3C)cc2)cc1 ZINC000408771868 560639167 /nfs/dbraw/zinc/63/91/67/560639167.db2.gz JTBCCRSVOHIRRN-OGLMXYFKSA-N 0 0 414.480 6.785 40 30 HKEBRN O=C(NCc1ccccc1)c1c(/N=C\c2ccc([N+](=O)[O-])cc2)sc2c1CCCC2 ZINC000408772070 560639171 /nfs/dbraw/zinc/63/91/71/560639171.db2.gz AKWCATTZUVWASE-MYYYXRDXSA-N 0 0 419.506 5.216 40 30 HKEBRN COC(=O)c1ccccc1/N=C\c1cc(C)n(-c2ccc(Br)cc2)c1C ZINC000408772199 560639176 /nfs/dbraw/zinc/63/91/76/560639176.db2.gz CKFQDHTYKFLPGT-QRVIBDJDSA-N 0 0 411.299 5.394 40 30 HKEBRN Cc1cc(/C=N\c2ccc(C)cc2Br)c(C)n1-c1ccc(Cl)cc1 ZINC000408772396 560639148 /nfs/dbraw/zinc/63/91/48/560639148.db2.gz OSTKMEPAIRXCMY-FMCGGJTJSA-N 0 0 401.735 6.569 40 30 HKEBRN COc1ccc(/C=C2/S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1Cl ZINC000408772750 560639221 /nfs/dbraw/zinc/63/92/21/560639221.db2.gz HQVTZSYLGPZIDJ-DBSKITMISA-N 0 0 420.921 6.157 40 30 HKEBRN Cc1cc(/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c(C)n1-c1ccccc1 ZINC000408772824 558633668 /nfs/dbraw/zinc/63/36/68/558633668.db2.gz NHYVSQNDOYFAGA-NDZAJKAJSA-N 0 0 408.589 7.313 40 30 HKEBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=N\c3cccc(Cl)c3Cl)c2C)cc1 ZINC000408773094 558633961 /nfs/dbraw/zinc/63/39/61/558633961.db2.gz SRQDCEADNMHLEU-MXAYSNPKSA-N 0 0 415.320 6.328 40 30 HKEBRN CCOc1ccc(N=C2NC(=O)/C(=C/c3ccc(OCC)c(Cl)c3)S2)cc1 ZINC000408773158 560639250 /nfs/dbraw/zinc/63/92/50/560639250.db2.gz TUASRBLJEFZBQZ-PDGQHHTCSA-N 0 0 402.903 5.029 40 30 HKEBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3cc(Cl)ccc3OC)c2C)cc1 ZINC000408773841 560639357 /nfs/dbraw/zinc/63/93/57/560639357.db2.gz SYIYZJBZMVTPSZ-AFUMVMLFSA-N 0 0 410.901 5.683 40 30 HKEBRN Cc1cc(/C=C2\SC(=Nc3cc(Cl)ccc3C)NC2=O)c(C)n1-c1ccccc1 ZINC000408774052 560639371 /nfs/dbraw/zinc/63/93/71/560639371.db2.gz ABDXOACRUYOQQP-MTJSOVHGSA-N 0 0 421.953 5.948 40 30 HKEBRN Cc1cc(/C=N\c2ccc3ccccc3c2)c(C)n1-c1ccc(Br)cc1 ZINC000408774293 560639388 /nfs/dbraw/zinc/63/93/88/560639388.db2.gz BXTRBZQVFHFCSZ-MYYYXRDXSA-N 0 0 403.323 6.760 40 30 HKEBRN COc1ccc(Cl)cc1/N=C/c1cc(C)n(-c2ccc(Br)cc2)c1C ZINC000408774333 560639352 /nfs/dbraw/zinc/63/93/52/560639352.db2.gz VBTDYVDEYPFRJN-FSJBWODESA-N 0 0 417.734 6.269 40 30 HKEBRN Cc1cc(/C=N\c2ccccc2F)c(C)n1-c1ccc(I)cc1 ZINC000408774345 558632691 /nfs/dbraw/zinc/63/26/91/558632691.db2.gz VEGJHOFEUTVVSN-UUYOSTAYSA-N 0 0 418.253 5.588 40 30 HKEBRN Cc1cc(/C=N/c2ccc(Br)c(Cl)c2)c(C)n1-c1ccc(Cl)cc1 ZINC000408774715 560639353 /nfs/dbraw/zinc/63/93/53/560639353.db2.gz QENPEWGDFKAXRL-FOKLQQMPSA-N 0 0 422.153 6.914 40 30 HKEBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=N\c3ccc(Cl)cc3Cl)c2C)cc1 ZINC000408774726 558632886 /nfs/dbraw/zinc/63/28/86/558632886.db2.gz CTJKFRGHQKEHQV-MXAYSNPKSA-N 0 0 415.320 6.328 40 30 HKEBRN Cc1cc(/C=C2\S/C(=N\c3ccccc3)N(Cc3ccccc3)C2=O)c(C)n1C ZINC000408774745 558632866 /nfs/dbraw/zinc/63/28/66/558632866.db2.gz QNAOTNWQYABYLI-YWROOUKNSA-N 0 0 401.535 5.446 40 30 HKEBRN O=C1NC(=Nc2cccc(Cl)c2Cl)S/C1=C\c1ccc(N2CCCCC2)o1 ZINC000408774994 560639427 /nfs/dbraw/zinc/63/94/27/560639427.db2.gz ZOEBPLIWZRVMKT-PTNGSMBKSA-N 0 0 422.337 5.468 40 30 HKEBRN COc1cc(/C=N\c2sc3c(c2C(=O)NCc2ccccc2)CCCC3)ccc1O ZINC000408775056 560639515 /nfs/dbraw/zinc/63/95/15/560639515.db2.gz YDZXCFUFRRDFJC-YSMPRRRNSA-N 0 0 420.534 5.022 40 30 HKEBRN COc1cc(/C=N\c2sc3c(c2C(=O)NCc2ccccc2)CCCC3)ccc1C ZINC000408775168 560639517 /nfs/dbraw/zinc/63/95/17/560639517.db2.gz FRBCWIJIIJFFMW-YUMHPJSZSA-N 0 0 418.562 5.625 40 30 HKEBRN Cc1cc(Br)ccc1N=C1NC(=O)/C(=C/c2ccc(O)c(Cl)c2)S1 ZINC000408775356 560639504 /nfs/dbraw/zinc/63/95/04/560639504.db2.gz GTRXGKUAICTUTI-NVNXTCNLSA-N 0 0 423.719 5.008 40 30 HKEBRN COC(=O)c1ccc(/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1Cl ZINC000408775918 560639098 /nfs/dbraw/zinc/63/90/98/560639098.db2.gz WSVGZZVQWWVBBG-WYMPLXKRSA-N 0 0 401.293 5.938 40 30 HKEBRN CC/N=C1\S/C(=C\c2cc(C)n(-c3ccccc3)c2-c2ccccc2)C(=O)N1CC ZINC000408775997 558635023 /nfs/dbraw/zinc/63/50/23/558635023.db2.gz MAUPFMUXQGKONX-AUERHCTOSA-N 0 0 415.562 5.765 40 30 HKEBRN Cc1cc(/C=N\c2ccc(Cl)cc2Cl)c(C)n1-c1ccc(Br)cc1 ZINC000408776092 560639163 /nfs/dbraw/zinc/63/91/63/560639163.db2.gz UBYJVFVALSOFCU-KSEXSDGBSA-N 0 0 422.153 6.914 40 30 HKEBRN O=C1NC(=Nc2cccc(Cl)c2Cl)S/C1=C/c1c(O)ccc2ccccc21 ZINC000408776670 558635699 /nfs/dbraw/zinc/63/56/99/558635699.db2.gz PWSHMSLUZZJTND-LICLKQGHSA-N 0 0 415.301 5.744 40 30 HKEBRN Cc1cc(/C=N\c2ccc(C)cc2Br)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000408776772 560639150 /nfs/dbraw/zinc/63/91/50/560639150.db2.gz YVNKFURWSZLXRM-UUYOSTAYSA-N 0 0 412.287 5.824 40 30 HKEBRN Cc1cc(/C=N/c2cccnc2)c(C)n1-c1ccc(I)c(C)c1 ZINC000408777010 558635800 /nfs/dbraw/zinc/63/58/00/558635800.db2.gz UOWKGDQTLXCCEK-SSDVNMTOSA-N 0 0 415.278 5.153 40 30 HKEBRN Cc1cc(/C=N\c2ccccc2I)c(C)n1-c1ccccc1 ZINC000408777105 560640060 /nfs/dbraw/zinc/64/00/60/560640060.db2.gz VGAMOSIQPKMGSD-BKUYFWCQSA-N 0 0 400.263 5.449 40 30 HKEBRN Cc1cc(/C=C2\SC(=Nc3cc(Cl)ccc3C)NC2=O)c(C)n1-c1cccnc1 ZINC000408777285 558634824 /nfs/dbraw/zinc/63/48/24/558634824.db2.gz XTQRPNDZIPOXHH-JMIUGGIZSA-N 0 0 422.941 5.343 40 30 HKEBRN CCCCOC(=O)c1ccc(/N=C/c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)cc1 ZINC000408777566 558635090 /nfs/dbraw/zinc/63/50/90/558635090.db2.gz CEQLKNUVYWLUPP-PCLIKHOPSA-N 0 0 419.481 5.710 40 30 HKEBRN COc1ccc(/C=C2/SC(=Nc3ccc(Cl)c(Cl)c3)NC2=O)cc1Cl ZINC000408777691 560640709 /nfs/dbraw/zinc/64/07/09/560640709.db2.gz GCUIJGCYBJQQRZ-VIZOYTHASA-N 0 0 413.713 5.547 40 30 HKEBRN Cc1cc(/C=N/c2cccc(Cl)c2C)c(C)n1-c1ccc(Br)cc1 ZINC000408777738 560640720 /nfs/dbraw/zinc/64/07/20/560640720.db2.gz HOFWFNSJOHCBCH-FSJBWODESA-N 0 0 401.735 6.569 40 30 HKEBRN Cc1cc(/C=N\C2CCCCC2)c(C)n1-c1ccc(I)c(C)c1 ZINC000408778165 558637031 /nfs/dbraw/zinc/63/70/31/558637031.db2.gz CEYFFIVIDPZWSJ-XKZIYDEJSA-N 0 0 420.338 5.759 40 30 HKEBRN Cc1cc(/C=N/Cc2ccccc2)c(C)n1-c1ccc(I)cc1 ZINC000408778228 560640693 /nfs/dbraw/zinc/64/06/93/560640693.db2.gz CHJOTIPDWNZQFK-HYARGMPZSA-N 0 0 414.290 5.318 40 30 HKEBRN CCOc1ccc(/C=C2\SC(=Nc3cc(Cl)ccc3C)NC2=O)cc1Cl ZINC000408778865 560640802 /nfs/dbraw/zinc/64/08/02/560640802.db2.gz MSIKBIXDSLQCSS-MFOYZWKCSA-N 0 0 407.322 5.592 40 30 HKEBRN Cc1cc(/C=N/c2ccc(C)cc2)c(C)n1-c1ccc(I)cc1 ZINC000408778876 560640796 /nfs/dbraw/zinc/64/07/96/560640796.db2.gz MTZZNZPGHOFRQU-LPYMAVHISA-N 0 0 414.290 5.758 40 30 HKEBRN Cc1cc(/C=N/c2cccc(F)c2)c(C)n1-c1ccc(I)cc1 ZINC000408779178 558636011 /nfs/dbraw/zinc/63/60/11/558636011.db2.gz BMILLKLXYFUEQZ-WSDLNYQXSA-N 0 0 418.253 5.588 40 30 HKEBRN CCOc1ccc2ccc(OCC)c(/C=C3\SC(=Nc4ccccc4)NC3=O)c2c1 ZINC000408779221 560640839 /nfs/dbraw/zinc/64/08/39/560640839.db2.gz SJDCXVGBVGYBIB-JCMHNJIXSA-N 0 0 418.518 5.529 40 30 HKEBRN Cc1cc(/C=C2\SC(=Nc3cc(Cl)ccc3C)NC2=O)c(C)n1C1CCCC1 ZINC000408779339 558636007 /nfs/dbraw/zinc/63/60/07/558636007.db2.gz CYRHJQPASYTYLH-JAIQZWGSSA-N 0 0 413.974 6.073 40 30 HKEBRN Cc1cc(/C=N/c2ccc(C)c(Cl)c2)c(C)n1-c1ccc(Br)cc1 ZINC000408779430 558635987 /nfs/dbraw/zinc/63/59/87/558635987.db2.gz WTKOEZSAJQLQFR-FSJBWODESA-N 0 0 401.735 6.569 40 30 HKEBRN Cc1cc(/C=N/c2ccc(Br)c(Cl)c2)c(C)n1-c1ccc(F)cc1 ZINC000408779694 560640895 /nfs/dbraw/zinc/64/08/95/560640895.db2.gz HZSQPNJJLBHIFZ-FOKLQQMPSA-N 0 0 405.698 6.400 40 30 HKEBRN Cc1cc(/C=C2\SC(=Nc3cccc(C)c3C)NC2=O)c(C)n1-c1ccccc1 ZINC000408779801 558636174 /nfs/dbraw/zinc/63/61/74/558636174.db2.gz KTSJPMUBVGRTLS-HMAPJEAMSA-N 0 0 401.535 5.603 40 30 HKEBRN C=CCOc1ccc(/C=C2\S[C@@H](Nc3ccc(CC)cc3)NC2=O)cc1CC=C ZINC000408779825 560640914 /nfs/dbraw/zinc/64/09/14/560640914.db2.gz LOMRAASMRMSJIM-FOOJEKODSA-N 0 0 406.551 5.142 40 30 HKEBRN C=CCOc1ccc(/C=C2\S[C@H](Nc3ccc(CC)cc3)NC2=O)cc1CC=C ZINC000408779826 558636065 /nfs/dbraw/zinc/63/60/65/558636065.db2.gz LOMRAASMRMSJIM-FVIVVMBBSA-N 0 0 406.551 5.142 40 30 HKEBRN COc1ccc2[nH]c(-c3ccccc3)c(C=C3C(=O)CC4(CCCCC4)CC3=O)c2c1 ZINC000408780176 560640907 /nfs/dbraw/zinc/64/09/07/560640907.db2.gz UQAJVTNXOHSXNK-UHFFFAOYSA-N 0 0 413.517 6.109 40 30 HKEBRN Cc1ccc(S(=O)(=O)NCc2ccc(/C=N/c3cc(Cl)cc(Cl)c3)o2)cc1 ZINC000408780371 560640977 /nfs/dbraw/zinc/64/09/77/560640977.db2.gz BIFSHGMOPWANBB-SSDVNMTOSA-N 0 0 423.321 5.124 40 30 HKEBRN COC(=O)c1ccc(/N=C/c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)cc1Cl ZINC000408780398 560641024 /nfs/dbraw/zinc/64/10/24/560641024.db2.gz BYZNFIGEMDBNCE-FSJBWODESA-N 0 0 411.845 5.193 40 30 HKEBRN CCCCc1ccc(/N=C/c2cc(C)n(-c3ccc(C(=O)OCC)cc3)c2C)cc1 ZINC000408780502 558636216 /nfs/dbraw/zinc/63/62/16/558636216.db2.gz ZXINNCZNCADJGF-OVVQPSECSA-N 0 0 402.538 6.364 40 30 HKEBRN CC[C@@H](C)c1ccc(/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1 ZINC000408780670 560640989 /nfs/dbraw/zinc/64/09/89/560640989.db2.gz HNAFHMUVEQZHQK-FYHAJLKWSA-N 0 0 409.371 7.121 40 30 HKEBRN CC[C@H](C)c1ccc(/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1 ZINC000408780671 560641021 /nfs/dbraw/zinc/64/10/21/560641021.db2.gz HNAFHMUVEQZHQK-JZCUADNKSA-N 0 0 409.371 7.121 40 30 HKEBRN Cc1cc(/C=N\c2ccccc2I)c(C)n1-c1ccc(F)cc1 ZINC000408780772 558639186 /nfs/dbraw/zinc/63/91/86/558639186.db2.gz KAGBLFBGMWGBSD-UUYOSTAYSA-N 0 0 418.253 5.588 40 30 HKEBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3cccc(C(=O)OC)c3C)c2C)cc1 ZINC000408780904 560640991 /nfs/dbraw/zinc/64/09/91/560640991.db2.gz MWSCVEXRDDDTAM-CVKSISIWSA-N 0 0 418.493 5.116 40 30 HKEBRN Cc1cc(/C=C2\SC(=Nc3ccccc3C)NC2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000408781190 560640835 /nfs/dbraw/zinc/64/08/35/560640835.db2.gz AKTVHUYQLNDMTI-BKUYFWCQSA-N 0 0 421.953 5.948 40 30 HKEBRN Cc1cc(/C=N\C2CCCCC2)c(C)n1-c1ccc(I)cc1 ZINC000408781408 560641467 /nfs/dbraw/zinc/64/14/67/560641467.db2.gz CJLUGFVEQBBRMJ-BKUYFWCQSA-N 0 0 406.311 5.450 40 30 HKEBRN CCCCc1ccc(/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1 ZINC000408781638 560641471 /nfs/dbraw/zinc/64/14/71/560641471.db2.gz DIFPFWCJNHJPQB-PCLIKHOPSA-N 0 0 409.371 6.950 40 30 HKEBRN CCOc1ccc(N=C2NC(=O)/C(=C/c3cc(C)n(C4CCCC4)c3C)S2)cc1 ZINC000408781659 560641459 /nfs/dbraw/zinc/64/14/59/560641459.db2.gz DYPZWBGSKOTGBD-STZFKDTASA-N 0 0 409.555 5.510 40 30 HKEBRN Cc1cc(/C=C2\SC(=Nc3ccc(Cl)cc3)NC2=O)c(C)n1-c1ccccc1 ZINC000408781869 558637947 /nfs/dbraw/zinc/63/79/47/558637947.db2.gz FOLCSFBSWRBQMN-MOSHPQCFSA-N 0 0 407.926 5.639 40 30 HKEBRN O=C(NCc1ccccc1)c1c(/N=C/c2ccccc2Cl)sc2c1CCCC2 ZINC000408781990 558638005 /nfs/dbraw/zinc/63/80/05/558638005.db2.gz FWXGBGXFEVCHSH-CVKSISIWSA-N 0 0 408.954 5.961 40 30 HKEBRN Cc1cc(/C=N/c2ccc(Nc3ccccc3)cc2)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000408782103 560641139 /nfs/dbraw/zinc/64/11/39/560641139.db2.gz HKUUZLAKVFLLSK-YZSQISJMSA-N 0 0 410.477 6.497 40 30 HKEBRN Cc1cc(/C=C2\SC(=Nc3cccc(Cl)c3)NC2=O)c(C)n1-c1ccccc1 ZINC000408782296 558638894 /nfs/dbraw/zinc/63/88/94/558638894.db2.gz HCOZHWZOTVNUHT-NDENLUEZSA-N 0 0 407.926 5.639 40 30 HKEBRN COC(=O)c1ccc(Cl)c(/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)c1 ZINC000408782351 560641144 /nfs/dbraw/zinc/64/11/44/560641144.db2.gz HGSPOPBGTRPPFH-WYMPLXKRSA-N 0 0 401.293 5.938 40 30 HKEBRN Cc1cc(/C=N/c2ccc(C)cc2[N+](=O)[O-])c(C)n1-c1ccc(Br)cc1 ZINC000408782688 558639172 /nfs/dbraw/zinc/63/91/72/558639172.db2.gz IRUNLBANLBIAKL-WSDLNYQXSA-N 0 0 412.287 5.824 40 30 HKEBRN CCOc1ccc(/C=C2\SC(=Nc3cccc(Cl)c3C)NC2=O)cc1Cl ZINC000408782696 558639078 /nfs/dbraw/zinc/63/90/78/558639078.db2.gz ITXRBBYHFKBKRI-YVLHZVERSA-N 0 0 407.322 5.592 40 30 HKEBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccc(C)cc3[N+](=O)[O-])c2C)cc1 ZINC000408782721 558639087 /nfs/dbraw/zinc/63/90/87/558639087.db2.gz YPHAHBDHGKPTGM-ZVHZXABRSA-N 0 0 405.454 5.238 40 30 HKEBRN Cc1cc(/C=N/c2cc(Cl)ccc2C)c(C)n1-c1ccc(Br)cc1 ZINC000408782735 560641115 /nfs/dbraw/zinc/64/11/15/560641115.db2.gz IYUPIQDKIPTJPW-FSJBWODESA-N 0 0 401.735 6.569 40 30 HKEBRN CCOc1ccc(/C=N\c2sc3c(c2C(=O)NCc2ccccc2)CCCC3)cc1 ZINC000408783050 560641274 /nfs/dbraw/zinc/64/12/74/560641274.db2.gz MRMMZVAMPUNYSU-PKAZHMFMSA-N 0 0 418.562 5.706 40 30 HKEBRN Cc1cc(/C=N\c2cccc(O)c2)c(C)n1-c1ccc(I)cc1 ZINC000408783110 560641270 /nfs/dbraw/zinc/64/12/70/560641270.db2.gz KCODZEMIZXWKAR-MTJSOVHGSA-N 0 0 416.262 5.155 40 30 HKEBRN COc1ccc(/C=C2/SC(=Nc3cccc(Cl)c3Cl)NC2=O)cc1Cl ZINC000408783382 560641210 /nfs/dbraw/zinc/64/12/10/560641210.db2.gz OJRXYFYWKKHKLC-RIYZIHGNSA-N 0 0 413.713 5.547 40 30 HKEBRN Cc1cc(/C=N\c2ccccc2O)c(C)n1-c1ccc(I)cc1 ZINC000408783822 560641261 /nfs/dbraw/zinc/64/12/61/560641261.db2.gz NKUXRYIACDUCKH-MTJSOVHGSA-N 0 0 416.262 5.155 40 30 HKEBRN COC(=O)c1ccc(Cl)c(/N=C/c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)c1 ZINC000408783894 558639797 /nfs/dbraw/zinc/63/97/97/558639797.db2.gz SBFGLUVEUHOYBP-FSJBWODESA-N 0 0 411.845 5.193 40 30 HKEBRN Cc1ccc(C2=C/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)N2c2ccc(C#N)cc2)cc1 ZINC000408783984 558639719 /nfs/dbraw/zinc/63/97/19/558639719.db2.gz PXRCMALUZASKCI-KGENOOAVSA-N 0 0 407.429 5.246 40 30 HKEBRN Cc1cc(/C=N/c2ccc(F)cc2)c(C)n1-c1ccc(I)cc1 ZINC000408783999 558639801 /nfs/dbraw/zinc/63/98/01/558639801.db2.gz RHAKNHLKISEQAM-WSDLNYQXSA-N 0 0 418.253 5.588 40 30 HKEBRN CC(C)Oc1ccc(/C=C2\SC(=Nc3cccc(Cl)c3Cl)NC2=O)cc1 ZINC000408784009 560641260 /nfs/dbraw/zinc/64/12/60/560641260.db2.gz RJZMFZILWOYOBY-YBEGLDIGSA-N 0 0 407.322 5.672 40 30 HKEBRN COc1ccccc1/C=N/c1sc2c(c1C(=O)NCc1ccccc1)CCCC2 ZINC000408784035 558639751 /nfs/dbraw/zinc/63/97/51/558639751.db2.gz QQJYGOLIQWYCKN-WGOQTCKBSA-N 0 0 404.535 5.316 40 30 HKEBRN CCN(CC)c1ccc(/C=C2\SC(=Nc3cccc(Cl)c3Cl)NC2=O)cc1 ZINC000408784593 560641368 /nfs/dbraw/zinc/64/13/68/560641368.db2.gz VMQZWJNITCRFJU-ATVHPVEESA-N 0 0 420.365 5.731 40 30 HKEBRN Cc1cc(/C=C2\SC(=Nc3ccc(Cl)cc3)NC2=O)c(C)n1-c1cccnc1 ZINC000408784755 560641359 /nfs/dbraw/zinc/64/13/59/560641359.db2.gz UQWSVUBKLUHVGN-ODLFYWEKSA-N 0 0 408.914 5.034 40 30 HKEBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=N\c3cc(C)c(C)c([N+](=O)[O-])c3)c2C)cc1 ZINC000408784867 558640136 /nfs/dbraw/zinc/64/01/36/558640136.db2.gz VZHAJZZIJIVWKB-QFEZKATASA-N 0 0 419.481 5.546 40 30 HKEBRN Cc1cc(/C=N\c2ccc(Cl)cc2O)c(C)n1-c1ccc(Br)cc1 ZINC000408785390 558640148 /nfs/dbraw/zinc/64/01/48/558640148.db2.gz ZAUKMQZEHHVNDF-JJFYIABZSA-N 0 0 403.707 5.966 40 30 HKEBRN C=CCn1c(C)c(/C=C2\S[C@H](Nc3ccc(CC)cc3)NC2=O)c2ccccc21 ZINC000408785399 560641374 /nfs/dbraw/zinc/64/13/74/560641374.db2.gz ZCDFJFVBMYORAE-DLBLZJNESA-N 0 0 403.551 5.298 40 30 HKEBRN C=CCn1c(C)c(/C=C2\S[C@@H](Nc3ccc(CC)cc3)NC2=O)c2ccccc21 ZINC000408785402 560641517 /nfs/dbraw/zinc/64/15/17/560641517.db2.gz ZCDFJFVBMYORAE-FCKOQQNDSA-N 0 0 403.551 5.298 40 30 HKEBRN Cc1cc(/C=N\c2cccc(Cl)c2Cl)c(C)n1-c1ccc(Br)cc1 ZINC000408785629 560641441 /nfs/dbraw/zinc/64/14/41/560641441.db2.gz ACPVIMLNOWVILR-KSEXSDGBSA-N 0 0 422.153 6.914 40 30 HKEBRN Cc1ccc(/N=C/c2ccc(CNS(=O)(=O)c3ccc(Cl)cc3)o2)cc1Cl ZINC000408785987 558640101 /nfs/dbraw/zinc/64/01/01/558640101.db2.gz DEOZOGKAOFAEPR-SSDVNMTOSA-N 0 0 423.321 5.124 40 30 HKEBRN Cc1ccc(C)n1-c1ccc(/N=C\c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1 ZINC000408786696 558640350 /nfs/dbraw/zinc/64/03/50/558640350.db2.gz MKZVDCFLXNWTRK-YUMHPJSZSA-N 0 0 401.941 6.906 40 30 HKEBRN CC(C)(C)c1ccc(/C=C2\SC(=Nc3cccc(Cl)c3Cl)NC2=O)cc1 ZINC000408786763 560641771 /nfs/dbraw/zinc/64/17/71/560641771.db2.gz NGPQUIRNIISXKV-WJDWOHSUSA-N 0 0 405.350 6.183 40 30 HKEBRN Cc1cc(/C=N/c2ccc(Br)c(C)c2)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000408787138 560641749 /nfs/dbraw/zinc/64/17/49/560641749.db2.gz SEHOIUQACBHVQB-WSDLNYQXSA-N 0 0 412.287 5.824 40 30 HKEBRN Cc1cc(/C=C2\SC(=Nc3ccccc3C)NC2=O)c(C)n1-c1ccc(C)cc1 ZINC000408787200 558639168 /nfs/dbraw/zinc/63/91/68/558639168.db2.gz UNRDSDCHMXVSOF-HMAPJEAMSA-N 0 0 401.535 5.603 40 30 HKEBRN COc1ccc(/C=C2/SC(=Nc3ccc(Br)cc3)NC2=O)cc1Cl ZINC000408787391 558639072 /nfs/dbraw/zinc/63/90/72/558639072.db2.gz ZGKMAWWJPUAPNG-OQLLNIDSSA-N 0 0 423.719 5.003 40 30 HKEBRN Cc1cc(/C=C2\SC(=Nc3cccc(Cl)c3C)NC2=O)c(C)n1C1CCCC1 ZINC000408787845 560641801 /nfs/dbraw/zinc/64/18/01/560641801.db2.gz ADBOMKVEFSXBOB-NDENLUEZSA-N 0 0 413.974 6.073 40 30 HKEBRN Cc1cc(/C=C2\SC(=Nc3cccc(C)c3C)NC2=O)c(C)n1-c1ccc(C)cc1 ZINC000408787978 558639389 /nfs/dbraw/zinc/63/93/89/558639389.db2.gz BTXCGNCFHRVQJX-UCQKPKSFSA-N 0 0 415.562 5.911 40 30 HKEBRN Cc1cc(/C=N\c2ccc(I)cc2C)c(C)n1-c1ccccc1 ZINC000408788743 560641582 /nfs/dbraw/zinc/64/15/82/560641582.db2.gz GITOJHDNIJQIFT-XKZIYDEJSA-N 0 0 414.290 5.758 40 30 HKEBRN O=C1/C(=C/c2ccc(O)c(Cl)c2)S/C(=N\c2ccccc2)N1Cc1ccccc1 ZINC000408790921 560641613 /nfs/dbraw/zinc/64/16/13/560641613.db2.gz RZHHBSOBLURKOA-MZURAFEFSA-N 0 0 420.921 5.850 40 30 HKEBRN Cc1cc(/C=C2\S/C(=N\Cc3ccccc3)N(Cc3ccccc3)C2=O)c(C)n1C ZINC000408791432 558641569 /nfs/dbraw/zinc/64/15/69/558641569.db2.gz YSLLGNNUBAJNEX-JWMLTMDESA-N 0 0 415.562 5.315 40 30 HKEBRN COc1ccc(/N=C\c2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)cc1Cl ZINC000408796281 560641983 /nfs/dbraw/zinc/64/19/83/560641983.db2.gz ABAQRSCWVGSBDH-LNIIIOKPSA-N 0 0 422.912 5.355 40 30 HKEBRN COc1ccc(/N=C\c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)cc1Cl ZINC000408796292 558642328 /nfs/dbraw/zinc/64/23/28/558642328.db2.gz ABAQRSCWVGSBDH-QVMKDISWSA-N 0 0 422.912 5.355 40 30 HKEBRN C#CCOc1ccccc1/C=N\c1sc2c(c1C(=O)NC1CCCCC1)CCCC2 ZINC000408797072 558642368 /nfs/dbraw/zinc/64/23/68/558642368.db2.gz FPZPLLAFQXPJMW-ONUIUJJFSA-N 0 0 420.578 5.452 40 30 HKEBRN Cc1ccc(NC(=O)COc2ccc(/C=N\c3cc(Cl)cc(Cl)c3)cc2)cc1 ZINC000408798382 560642088 /nfs/dbraw/zinc/64/20/88/560642088.db2.gz DVIHSQUVNPTMEE-MXAYSNPKSA-N 0 0 413.304 6.070 40 30 HKEBRN O=C(COc1ccc(/C=N\c2cccc(C(F)(F)F)c2)cc1)Nc1ccc(F)cc1 ZINC000408799706 560642169 /nfs/dbraw/zinc/64/21/69/560642169.db2.gz HSWRNQYVTHHVNW-WKIKZPBSSA-N 0 0 416.374 5.613 40 30 HKEBRN COc1ccccc1NC(=O)COc1ccc(/C=N\c2ccc(C)c(Cl)c2)cc1 ZINC000408800105 560642158 /nfs/dbraw/zinc/64/21/58/560642158.db2.gz KMPMUJWHKGMCMH-QFEZKATASA-N 0 0 408.885 5.425 40 30 HKEBRN CCOc1cccc(/C=N\c2sc3c(c2C(=O)NC2CCCCC2)CCCC3)c1 ZINC000408800597 558644495 /nfs/dbraw/zinc/64/44/95/558644495.db2.gz NWECFOBVTHYFSE-XYGWBWBKSA-N 0 0 410.583 5.839 40 30 HKEBRN O=C(COc1ccc(/C=N\c2cc(Cl)cc(Cl)c2)cc1)NCc1ccco1 ZINC000408800621 560642313 /nfs/dbraw/zinc/64/23/13/560642313.db2.gz QFNJUTWTCXLYEM-KSEXSDGBSA-N 0 0 403.265 5.032 40 30 HKEBRN COc1ccc(C)cc1/N=C\c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1 ZINC000408801240 558642694 /nfs/dbraw/zinc/64/26/94/558642694.db2.gz SRJDGCKLNFNNES-QFEZKATASA-N 0 0 408.885 5.425 40 30 HKEBRN COc1ccc(/N=C\c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)cc1Cl ZINC000408801764 558642931 /nfs/dbraw/zinc/64/29/31/558642931.db2.gz VPTGMBNPIBMGMY-MXAYSNPKSA-N 0 0 412.848 5.256 40 30 HKEBRN Cc1ccc(/N=C\c2ccc(OCC(=O)NCCc3ccccc3)cc2)cc1Cl ZINC000408801844 560642596 /nfs/dbraw/zinc/64/25/96/560642596.db2.gz VVNOENMEUXYGGS-YUMHPJSZSA-N 0 0 406.913 5.137 40 30 HKEBRN COc1ccc(/N=C\c2ccc(OCC(=O)Nc3ccccc3OC)cc2)cc1Cl ZINC000408802081 558642963 /nfs/dbraw/zinc/64/29/63/558642963.db2.gz CSWUWDSJFXYUDP-QFEZKATASA-N 0 0 424.884 5.125 40 30 HKEBRN C#CCOc1ccc(/C=N\c2sc3c(c2C(=O)NC2CCCCC2)CCCC3)cc1 ZINC000408802379 558643102 /nfs/dbraw/zinc/64/31/02/558643102.db2.gz ZPOQAUGXVWSMOG-ONUIUJJFSA-N 0 0 420.578 5.452 40 30 HKEBRN Cc1ccc(NC(=O)COc2ccc(/C=N\c3cccc(C(F)(F)F)c3)cc2)cc1 ZINC000408802500 558643164 /nfs/dbraw/zinc/64/31/64/558643164.db2.gz YJWQZDAERKMIOB-VYYCAZPPSA-N 0 0 412.411 5.782 40 30 HKEBRN O=C(COc1ccc(/C=N\c2cc(Cl)cc(Cl)c2)cc1)NCc1ccccc1 ZINC000408802766 558643169 /nfs/dbraw/zinc/64/31/69/558643169.db2.gz HDWODBARUNBHEA-MXAYSNPKSA-N 0 0 413.304 5.439 40 30 HKEBRN COc1ccc(/N=C\c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)c(OC)c1 ZINC000408802820 560642804 /nfs/dbraw/zinc/64/28/04/560642804.db2.gz HURWUQIVZOOVJJ-QFEZKATASA-N 0 0 424.884 5.125 40 30 HKEBRN O=C(COc1ccc(/C=N\c2cccc(C(F)(F)F)c2)cc1)NCc1ccccc1 ZINC000408803246 558643358 /nfs/dbraw/zinc/64/33/58/558643358.db2.gz MXOWIMKDMCVNSH-VYYCAZPPSA-N 0 0 412.411 5.151 40 30 HKEBRN O=C(COc1ccc(/C=N\c2ccc(Oc3ccccc3)cc2)cc1)Nc1ccccc1 ZINC000408803349 560642986 /nfs/dbraw/zinc/64/29/86/560642986.db2.gz NVDBXZVUUGKJHN-USHMODERSA-N 0 0 422.484 6.247 40 30 HKEBRN CC(C)Oc1ccccc1/C=N\c1sc2c(c1C(=O)NC1CCCCC1)CCCC2 ZINC000408803446 558646422 /nfs/dbraw/zinc/64/64/22/558646422.db2.gz OZZYYOSLUTZRMI-QQXSKIMKSA-N 0 0 424.610 6.227 40 30 HKEBRN Cc1ccc(/N=C\c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)cc1Cl ZINC000408803519 558646343 /nfs/dbraw/zinc/64/63/43/558646343.db2.gz PYEQOVVDWQSQRH-MXAYSNPKSA-N 0 0 413.304 6.070 40 30 HKEBRN N#CCOc1ccccc1/C=N\c1sc2c(c1C(=O)NC1CCCCC1)CCCC2 ZINC000408803797 558646602 /nfs/dbraw/zinc/64/66/02/558646602.db2.gz ANYDPIZXGXEMEU-QQXSKIMKSA-N 0 0 421.566 5.342 40 30 HKEBRN O=C(COc1ccc(/C=N\c2ccc(Cl)c(Cl)c2)cc1)NCc1ccccc1 ZINC000408804020 560643101 /nfs/dbraw/zinc/64/31/01/560643101.db2.gz BZWWPXSQZYGEKK-MXAYSNPKSA-N 0 0 413.304 5.439 40 30 HKEBRN COc1ccc(C)cc1/N=C\c1ccc(OCC(=O)N[C@@H](C)c2ccccc2)cc1 ZINC000408804670 558645165 /nfs/dbraw/zinc/64/51/65/558645165.db2.gz GJQJGAIPXBTAAA-HPUZFYODSA-N 0 0 402.494 5.010 40 30 HKEBRN COc1ccc(C)cc1/N=C\c1ccc(OCC(=O)N[C@H](C)c2ccccc2)cc1 ZINC000408804671 558645187 /nfs/dbraw/zinc/64/51/87/558645187.db2.gz GJQJGAIPXBTAAA-NLULDLIBSA-N 0 0 402.494 5.010 40 30 HKEBRN Cc1ccc(/N=C\c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)cc1Cl ZINC000408805068 558645114 /nfs/dbraw/zinc/64/51/14/558645114.db2.gz CZPZZEGGJZBMMI-OMTSMLQXSA-N 0 0 406.913 5.655 40 30 HKEBRN Cc1ccc(/N=C\c2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)cc1Cl ZINC000408805069 560643314 /nfs/dbraw/zinc/64/33/14/560643314.db2.gz CZPZZEGGJZBMMI-WTTSBOSASA-N 0 0 406.913 5.655 40 30 HKEBRN Cc1ccc(/N=C\c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)cc1Cl ZINC000408805480 560643376 /nfs/dbraw/zinc/64/33/76/560643376.db2.gz KNFMCOAFBHYDEU-MXAYSNPKSA-N 0 0 413.304 6.070 40 30 HKEBRN O=C(COc1ccc(/C=N\c2cccc(Br)c2)cc1)NC1CCCCC1 ZINC000408805837 560643373 /nfs/dbraw/zinc/64/33/73/560643373.db2.gz LTSHPKUTZSWVSV-UCQKPKSFSA-N 0 0 415.331 5.027 40 30 HKEBRN O=C(COc1ccc(/C=N\c2ccc(Cl)c(Cl)c2)cc1)Nc1ccc(F)cc1 ZINC000408806113 560643538 /nfs/dbraw/zinc/64/35/38/560643538.db2.gz AUFNYLJGQFBUNO-ROTLSHHCSA-N 0 0 417.267 5.901 40 30 HKEBRN N#Cc1c2c(sc1/N=C/c1ccccc1OCc1cccc(Cl)c1)CCCC2 ZINC000408806155 558645375 /nfs/dbraw/zinc/64/53/75/558645375.db2.gz ABMXPMKQIVABCA-VULFUBBASA-N 0 0 406.938 6.482 40 30 HKEBRN COc1ccc(NC(=O)COc2ccc(/C=N\c3ccc(C)c(Cl)c3)cc2)cc1 ZINC000408806359 560642582 /nfs/dbraw/zinc/64/25/82/560642582.db2.gz IWOYZKBKYLQQSA-QFEZKATASA-N 0 0 408.885 5.425 40 30 HKEBRN COC(=O)c1ccc(/C=N\c2sc3c(c2C(=O)NC2CCCCC2)CCCC3)cc1 ZINC000408806596 560642600 /nfs/dbraw/zinc/64/26/00/560642600.db2.gz FQXIPMNQSKMVOO-MYYYXRDXSA-N 0 0 424.566 5.227 40 30 HKEBRN CSc1nncn1/N=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 ZINC000408806661 560642525 /nfs/dbraw/zinc/64/25/25/560642525.db2.gz ATTYGQHPRXZOKV-NUGSKGIGSA-N 0 0 416.337 5.192 40 30 HKEBRN C#CCOc1ccc2ccccc2c1/C=C1\SC(=Nc2cc(C)cc(C)c2)NC1=O ZINC000408806685 558645437 /nfs/dbraw/zinc/64/54/37/558645437.db2.gz BAYMYUCTRPVSBH-HAHDFKILSA-N 0 0 412.514 5.360 40 30 HKEBRN CC(C)Oc1cccc(/C=N\c2sc3c(c2C(=O)NC2CCCCC2)CCCC3)c1 ZINC000408806706 558645356 /nfs/dbraw/zinc/64/53/56/558645356.db2.gz BHZYCZWLOQSXGP-QQXSKIMKSA-N 0 0 424.610 6.227 40 30 HKEBRN C=CCn1c(C)c(/C=C2\SC(=Nc3ccc(Cl)cc3)NC2=O)c2ccccc21 ZINC000408806786 560642701 /nfs/dbraw/zinc/64/27/01/560642701.db2.gz BGMWSVNRKQIVLJ-MOSHPQCFSA-N 0 0 407.926 5.681 40 30 HKEBRN O=C(COc1ccc(/C=N\c2ccc(Cl)c(Cl)c2)cc1)NCc1ccco1 ZINC000408806790 558645407 /nfs/dbraw/zinc/64/54/07/558645407.db2.gz BTJYFTSPHYXZCY-KSEXSDGBSA-N 0 0 403.265 5.032 40 30 HKEBRN C=CCOc1ccc(Br)cc1-c1c(C#N)c(N)nc(C)c1-c1ccccc1 ZINC000408806820 571310555 /nfs/dbraw/zinc/31/05/55/571310555.db2.gz BLDCLPNIPHBPKS-UHFFFAOYSA-N 0 0 420.310 5.505 40 30 HKEBRN Cc1sc(/N=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)c(C#N)c1C ZINC000408806927 558645583 /nfs/dbraw/zinc/64/55/83/558645583.db2.gz BOVDXHOHPYZLAH-RPPGKUMJSA-N 0 0 403.938 6.644 40 30 HKEBRN COc1cc(C=NNc2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408807094 558645510 /nfs/dbraw/zinc/64/55/10/558645510.db2.gz CANXEPCUPVPAGM-ZMOGYAJESA-N 0 0 401.293 6.027 40 30 HKEBRN COc1ccc(NC(=O)COc2ccc(/C=N\c3ccc(OC)c(Cl)c3)cc2)cc1 ZINC000408807113 560642673 /nfs/dbraw/zinc/64/26/73/560642673.db2.gz OEVAVWKMPHPWFK-QFEZKATASA-N 0 0 424.884 5.125 40 30 HKEBRN C=CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)SC1=S ZINC000408807548 558645834 /nfs/dbraw/zinc/64/58/34/558645834.db2.gz CQNIIKORTPFDLA-ZHZULCJRSA-N 0 0 410.608 5.779 40 30 HKEBRN O=C(COc1ccc(/C=N\c2cccc(C(F)(F)F)c2)cc1)NC1CCCCC1 ZINC000408807716 560643443 /nfs/dbraw/zinc/64/34/43/560643443.db2.gz OLYWHXFYOMTHPP-WGARJPEWSA-N 0 0 404.432 5.284 40 30 HKEBRN COc1ccc(C)cc1/N=C\c1ccc(OCC(=O)Nc2ccccc2Cl)cc1 ZINC000408808724 558648350 /nfs/dbraw/zinc/64/83/50/558648350.db2.gz NBOCFCZYCSTVRV-QFEZKATASA-N 0 0 408.885 5.425 40 30 HKEBRN Cc1c([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)c2ccccc2n1C ZINC000408809101 558646897 /nfs/dbraw/zinc/64/68/97/558646897.db2.gz HWTLWXUJJYGBBB-MUUNZHRXSA-N 0 0 420.556 6.949 40 30 HKEBRN Cc1c([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)c2ccccc2n1C ZINC000408809102 558646982 /nfs/dbraw/zinc/64/69/82/558646982.db2.gz HWTLWXUJJYGBBB-NDEPHWFRSA-N 0 0 420.556 6.949 40 30 HKEBRN C=CCN1C(=O)/C(=C\c2cc(C)n(-c3cc(Cl)ccc3OC)c2C)SC1=S ZINC000408809644 560643855 /nfs/dbraw/zinc/64/38/55/560643855.db2.gz IKCIFPLABXFURL-ZDLGFXPLSA-N 0 0 418.971 5.143 40 30 HKEBRN O=C1c2ccccc2S/C1=C\c1cn(Cc2ccc(Cl)cc2)c2ccccc12 ZINC000408810113 560643836 /nfs/dbraw/zinc/64/38/36/560643836.db2.gz IIUBCCKVXYUYNM-QRVIBDJDSA-N 0 0 401.918 6.673 40 30 HKEBRN C=CCc1cc(/C=C2\SC(=O)N(C)C2=O)cc(OCC)c1OCc1cccc(C)c1 ZINC000408810229 558647419 /nfs/dbraw/zinc/64/74/19/558647419.db2.gz JHSBUNFIPYKURC-STZFKDTASA-N 0 0 423.534 5.367 40 30 HKEBRN C=CCc1cc(/C=N\c2ccc(I)cc2C)cc(OCC)c1O ZINC000408810331 560643964 /nfs/dbraw/zinc/64/39/64/560643964.db2.gz KHXGBYVPULLJSX-MTJSOVHGSA-N 0 0 421.278 5.183 40 30 HKEBRN C#CCOc1c(Cl)cc(-c2c(C#N)c(N)nc(C)c2-c2ccccc2)cc1OCC ZINC000408810449 571310574 /nfs/dbraw/zinc/31/05/74/571310574.db2.gz IZHWWFRQUDODOZ-UHFFFAOYSA-N 0 0 417.896 5.242 40 30 HKEBRN N#CCOc1c(Cl)cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc1Cl ZINC000408810504 558647467 /nfs/dbraw/zinc/64/74/67/558647467.db2.gz JIHURWJAHARIHJ-GDNBJRDFSA-N 0 0 405.262 5.137 40 30 HKEBRN N#Cc1ccccc1COc1ccccc1/C=C1\SC(=O)N(c2ccccc2)C1=O ZINC000408810754 558647511 /nfs/dbraw/zinc/64/75/11/558647511.db2.gz JRVNQHVULFBTNX-HMAPJEAMSA-N 0 0 412.470 5.378 40 30 HKEBRN Cc1ccc(NC(=O)COc2ccc(/C=N\c3cccc(Br)c3)cc2)cc1 ZINC000408810783 560643982 /nfs/dbraw/zinc/64/39/82/560643982.db2.gz KLYVCYDWGRKIJR-OYKKKHCWSA-N 0 0 423.310 5.526 40 30 HKEBRN C=CCn1c(C)c(/C=C2\SC(Nc3cc(C)ccc3OC)NC2=O)c2ccccc21 ZINC000408810865 560643989 /nfs/dbraw/zinc/64/39/89/560643989.db2.gz LKTNTFMXVCLXLG-UHFFFAOYSA-N 0 0 418.542 5.216 40 30 HKEBRN CCOC(=O)Cn1c(C)c(/C=N/N(c2ccccc2)c2ccccc2)c2ccccc21 ZINC000408811298 558647572 /nfs/dbraw/zinc/64/75/72/558647572.db2.gz BACJSNFCEVHDFG-OVVQPSECSA-N 0 0 411.505 5.685 40 30 HKEBRN CSc1nncn1/N=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 ZINC000408811310 560644104 /nfs/dbraw/zinc/64/41/04/560644104.db2.gz BGBXSHTYBRCTCU-NUGSKGIGSA-N 0 0 416.337 5.192 40 30 HKEBRN Fc1ccc(Cn2cc(/C=N/N(c3ccccc3)c3ccccc3)c3ccccc32)cc1 ZINC000408811548 560644070 /nfs/dbraw/zinc/64/40/70/560644070.db2.gz AAAOKGBQAYCSHG-NDZAJKAJSA-N 0 0 419.503 7.001 40 30 HKEBRN N#CCOc1cccc(/C=N\c2sc3c(c2C(=O)NC2CCCCC2)CCCC3)c1 ZINC000408811771 558648269 /nfs/dbraw/zinc/64/82/69/558648269.db2.gz KSVPQCONBHQANU-QQXSKIMKSA-N 0 0 421.566 5.342 40 30 HKEBRN C=CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)SC1=S ZINC000408811822 558648320 /nfs/dbraw/zinc/64/83/20/558648320.db2.gz LZTWCCWKNHFNPB-MFOYZWKCSA-N 0 0 423.390 5.788 40 30 HKEBRN C=CCc1cc(/C=C2\SC(=O)N(C)C2=O)cc(OCC)c1OCc1ccc(C)cc1 ZINC000408811917 560644204 /nfs/dbraw/zinc/64/42/04/560644204.db2.gz NAGGZIJWGGZUPJ-STZFKDTASA-N 0 0 423.534 5.367 40 30 HKEBRN C=CCn1c(C)c(/C=C2\SC(Nc3ccc(Cl)cc3C)NC2=O)c2ccccc21 ZINC000408812110 560644217 /nfs/dbraw/zinc/64/42/17/560644217.db2.gz CBXSVTIAGOKVQF-UHFFFAOYSA-N 0 0 422.961 5.861 40 30 HKEBRN Cc1cc(Br)ccc1/N=C\c1cc(Br)c(N2CCCC2)o1 ZINC000408812618 558649409 /nfs/dbraw/zinc/64/94/09/558649409.db2.gz PEFCTRZOHYEZBZ-GRSHGNNSSA-N 0 0 412.125 5.464 40 30 HKEBRN C=CCn1c(C)c([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CCC3)c2ccccc21 ZINC000408812938 558648677 /nfs/dbraw/zinc/64/86/77/558648677.db2.gz CDEFFRNWMKFCHO-GDLZYMKVSA-N 0 0 418.540 6.962 40 30 HKEBRN C=CCn1c(C)c([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CCC3)c2ccccc21 ZINC000408812943 558648675 /nfs/dbraw/zinc/64/86/75/558648675.db2.gz CDEFFRNWMKFCHO-LJAQVGFWSA-N 0 0 418.540 6.962 40 30 HKEBRN C=CCn1c(C)c(/C=C2\SC(=Nc3cccc(C)c3C)NC2=O)c2ccccc21 ZINC000408812997 558648681 /nfs/dbraw/zinc/64/86/81/558648681.db2.gz DBMJTFIEDUZLET-HMAPJEAMSA-N 0 0 401.535 5.644 40 30 HKEBRN C#CCOc1c(Cl)cc(-c2c(C#N)c(N)ncc2-c2ccc(C)cc2)cc1OCC ZINC000408813010 571310636 /nfs/dbraw/zinc/31/06/36/571310636.db2.gz DCYPRWPHKUIHPH-UHFFFAOYSA-N 0 0 417.896 5.242 40 30 HKEBRN C=CCOc1ccc(-n2c(C)cc(/C=C3\SC(=S)N(CC=C)C3=O)c2C)cc1 ZINC000408813087 560643548 /nfs/dbraw/zinc/64/35/48/560643548.db2.gz DYMYOFJIRFLJJP-ZHZULCJRSA-N 0 0 410.564 5.046 40 30 HKEBRN CCN(CC)c1ccc(/C=C2\S/C(=N\c3ccccc3)N(C3CCCCC3)C2=O)o1 ZINC000408813098 560643553 /nfs/dbraw/zinc/64/35/53/560643553.db2.gz FBXPTOXQSZZSCN-FRJDLFPQSA-N 0 0 423.582 6.063 40 30 HKEBRN Clc1cccc(COc2ccccc2/C=N/N(c2ccccc2)c2ccccc2)c1 ZINC000408813130 560644253 /nfs/dbraw/zinc/64/42/53/560644253.db2.gz PQDFFHQDJQOIDA-TURZUDJPSA-N 0 0 412.920 7.091 40 30 HKEBRN C=CCn1c(C)c(/C=C2\SC(=Nc3cccc4ccccc43)NC2=O)c2ccccc21 ZINC000408813143 560643525 /nfs/dbraw/zinc/64/35/25/560643525.db2.gz FJKWVGRFPJDECY-JLPGSUDCSA-N 0 0 423.541 6.181 40 30 HKEBRN C=CCc1cc(/C=C2\SC(=O)N(C)C2=O)cc(OCC)c1OCc1ccccc1 ZINC000408813239 560643516 /nfs/dbraw/zinc/64/35/16/560643516.db2.gz QHQOAQSQADZXLK-ZHZULCJRSA-N 0 0 409.507 5.059 40 30 HKEBRN C=CCc1cc(/C=C2\SC(=Nc3ccc(C)c(C)c3)NC2=O)cc(OCC)c1O ZINC000408813295 558648682 /nfs/dbraw/zinc/64/86/82/558648682.db2.gz PEEGXIJRNCLHIQ-MOSHPQCFSA-N 0 0 408.523 5.028 40 30 HKEBRN C(=N/N(c1ccccc1)c1ccccc1)\c1cn(Cc2ccccc2)c2ccccc12 ZINC000408813405 560643611 /nfs/dbraw/zinc/64/36/11/560643611.db2.gz QTLYPKHJPLXZSY-ZTKZIYFRSA-N 0 0 401.513 6.862 40 30 HKEBRN C#CCOc1c(Cl)cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc1Cl ZINC000408813938 558650562 /nfs/dbraw/zinc/65/05/62/558650562.db2.gz GCAUKHRGSMIGGX-WJDWOHSUSA-N 0 0 404.274 5.246 40 30 HKEBRN C#CCOc1ccc(Br)cc1/C=N/N(c1ccccc1)c1ccccc1 ZINC000408813961 558650599 /nfs/dbraw/zinc/65/05/99/558650599.db2.gz GFTGKVSTIUUYLI-JJIBRWJFSA-N 0 0 405.295 5.633 40 30 HKEBRN CCOC(=O)c1c(Cl)c(C=NNc2ccccc2)oc1Nc1ccc(Cl)cc1 ZINC000408813996 560645045 /nfs/dbraw/zinc/64/50/45/560645045.db2.gz GLTKEEPCTSMGHE-FMCGGJTJSA-N 0 0 418.280 5.953 40 30 HKEBRN C=CCn1c(C)c(/C=C2\SC(=Nc3ccc(OC)cc3)NC2=O)c2ccccc21 ZINC000408814055 558650502 /nfs/dbraw/zinc/65/05/02/558650502.db2.gz PSJHFGUAMGDLCI-STZFKDTASA-N 0 0 403.507 5.036 40 30 HKEBRN N#Cc1c2c(sc1/N=C/c1cn(Cc3ccc(F)cc3)c3ccccc13)CCCC2 ZINC000408814058 560645008 /nfs/dbraw/zinc/64/50/08/560645008.db2.gz PSSCGPJLYNINSD-CCVNUDIWSA-N 0 0 413.521 6.391 40 30 HKEBRN O=C1c2ccccc2C(=O)C1=Cc1c(OCc2ccc(Cl)cc2)ccc2ccccc21 ZINC000408814489 558649438 /nfs/dbraw/zinc/64/94/38/558649438.db2.gz FWRHYIGJDFCFSZ-UHFFFAOYSA-N 0 0 424.883 6.535 40 30 HKEBRN O=C(COc1ccc(/C=N\c2cccc(Br)c2)cc1)Nc1ccccc1 ZINC000408814559 560645006 /nfs/dbraw/zinc/64/50/06/560645006.db2.gz RPSYFLHHQWZBTL-UCQKPKSFSA-N 0 0 409.283 5.217 40 30 HKEBRN N#CCOc1ccc(/C=N\c2sc3c(c2C(=O)NC2CCCCC2)CCCC3)cc1 ZINC000408814560 558649766 /nfs/dbraw/zinc/64/97/66/558649766.db2.gz PRAATCCQQRPYBO-QQXSKIMKSA-N 0 0 421.566 5.342 40 30 HKEBRN N#CCOc1ccccc1/C=N/c1oc(-c2ccccc2)c(-c2ccccc2)c1C#N ZINC000408814692 558649938 /nfs/dbraw/zinc/64/99/38/558649938.db2.gz GJVYAZZJOBUNFR-RDRPBHBLSA-N 0 0 403.441 6.138 40 30 HKEBRN O=C(COc1ccc(/C=N\c2cc(Cl)cc(Cl)c2)cc1)Nc1ccc(F)cc1 ZINC000408814822 558650190 /nfs/dbraw/zinc/65/01/90/558650190.db2.gz ZSNQKDGEUCTODC-ROTLSHHCSA-N 0 0 417.267 5.901 40 30 HKEBRN CCOc1ccc(Cl)cc1/C=C1\SC(=Nc2cccc(Cl)c2C)NC1=O ZINC000408814879 558650411 /nfs/dbraw/zinc/65/04/11/558650411.db2.gz GPTKVPMXNWSHBX-YVLHZVERSA-N 0 0 407.322 5.592 40 30 HKEBRN COc1ccc(/N=C\c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)c(OC)c1 ZINC000408814958 560645201 /nfs/dbraw/zinc/64/52/01/560645201.db2.gz ZXLUGAJHUBNHRI-QFEZKATASA-N 0 0 424.884 5.125 40 30 HKEBRN N#CCOc1ccccc1/C=C1\S/C(=N\c2ccccc2)N(C2CCCCC2)C1=O ZINC000408814965 558650356 /nfs/dbraw/zinc/65/03/56/558650356.db2.gz SQKQKUWATVCXMA-CVXQDMMISA-N 0 0 417.534 5.526 40 30 HKEBRN C#CCOc1c(Cl)cc(/C=N/N(c2ccccc2)c2ccccc2)cc1OCC ZINC000408815129 558651221 /nfs/dbraw/zinc/65/12/21/558651221.db2.gz ILXAEFDHHWCXDG-NLRVBDNBSA-N 0 0 404.897 5.923 40 30 HKEBRN C#CCOc1ccc2ccccc2c1/C=C1\SC(=Nc2cccc(Cl)c2)NC1=O ZINC000408815582 558651444 /nfs/dbraw/zinc/65/14/44/558651444.db2.gz ICCXDIFVUOHAMC-STZFKDTASA-N 0 0 418.905 5.397 40 30 HKEBRN C=CCc1cc(/C=C2\SC(=O)N(C)C2=O)ccc1OCc1ccc2ccccc2c1 ZINC000408815751 560644398 /nfs/dbraw/zinc/64/43/98/560644398.db2.gz RZNNJKWMAPIIOJ-HAHDFKILSA-N 0 0 415.514 5.813 40 30 HKEBRN Clc1ccc(Sc2oc(/C=N\OCc3ccccc3)cc2Br)cc1 ZINC000408815840 558651006 /nfs/dbraw/zinc/65/10/06/558651006.db2.gz SMCVICLSMBEWFT-NHDPSOOVSA-N 0 0 422.731 6.397 40 30 HKEBRN CCOc1ccc(Cl)cc1/C=C1\SC(=Nc2ccc(C)c(Cl)c2)NC1=O ZINC000408815920 558651049 /nfs/dbraw/zinc/65/10/49/558651049.db2.gz VXLJZTQEBZWKGV-MFOYZWKCSA-N 0 0 407.322 5.592 40 30 HKEBRN O=C1NC(=Nc2ccccc2)S/C1=C\c1ccccc1OCc1cccc(Cl)c1 ZINC000408815929 560644410 /nfs/dbraw/zinc/64/44/10/560644410.db2.gz TULOSWPGPRBWNT-STZFKDTASA-N 0 0 420.921 5.811 40 30 HKEBRN C=CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(CCCC)cc3)c2C)SC1=S ZINC000408815962 560644439 /nfs/dbraw/zinc/64/44/39/560644439.db2.gz WDCWFUZYEZUFLO-QNGOZBTKSA-N 0 0 410.608 5.824 40 30 HKEBRN C#CCOc1cccc(/C=N\c2sc3c(c2C(=O)NC2CCCCC2)CCCC3)c1 ZINC000408816114 560644408 /nfs/dbraw/zinc/64/44/08/560644408.db2.gz SNGVUWWPDFEUPE-ONUIUJJFSA-N 0 0 420.578 5.452 40 30 HKEBRN C=CCOc1ccc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc1Br ZINC000408816187 558652858 /nfs/dbraw/zinc/65/28/58/558652858.db2.gz STOKQMWTYRUNLV-ATVHPVEESA-N 0 0 416.296 5.255 40 30 HKEBRN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@@H]2c1ccccc1OCC#N ZINC000408816509 560644530 /nfs/dbraw/zinc/64/45/30/560644530.db2.gz LOGICBDXKMPXBG-AREMUKBSSA-N 0 0 408.501 6.052 40 30 HKEBRN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@H]2c1ccccc1OCC#N ZINC000408816510 560644514 /nfs/dbraw/zinc/64/45/14/560644514.db2.gz LOGICBDXKMPXBG-SANMLTNESA-N 0 0 408.501 6.052 40 30 HKEBRN CN1C(=O)S/C(=C\c2cc(Cl)c(OCc3ccccc3C#N)c(Cl)c2)C1=O ZINC000408816820 558652109 /nfs/dbraw/zinc/65/21/09/558652109.db2.gz WRQSQKGPZPCIJX-PXNMLYILSA-N 0 0 419.289 5.110 40 30 HKEBRN CCOC(=O)c1c(Cl)c(C=NNc2ccccc2)oc1Nc1cccc(Cl)c1 ZINC000408816858 560644515 /nfs/dbraw/zinc/64/45/15/560644515.db2.gz UUHSBNQHEFNMRC-FMCGGJTJSA-N 0 0 418.280 5.953 40 30 HKEBRN C=CCn1c(C)c(/C=C2\SC(=Nc3cc(C)cc(C)c3)NC2=O)c2ccccc21 ZINC000408816968 560644549 /nfs/dbraw/zinc/64/45/49/560644549.db2.gz UVBZXTCIMHRIIL-HMAPJEAMSA-N 0 0 401.535 5.644 40 30 HKEBRN CCOC(=O)c1c(Cl)c(C=NNc2ccccn2)oc1Nc1ccc(Cl)cc1 ZINC000408817041 560644524 /nfs/dbraw/zinc/64/45/24/560644524.db2.gz KNYMAINRUBWEES-KSEXSDGBSA-N 0 0 419.268 5.348 40 30 HKEBRN C=CCn1c(C)c(/C=N/c2sc3c(c2C(=O)OCC)CCCC3)c2ccccc21 ZINC000408817266 560644719 /nfs/dbraw/zinc/64/47/19/560644719.db2.gz VPHPMXOFAWJLHM-MFKUBSTISA-N 0 0 406.551 6.003 40 30 HKEBRN C=CCOc1c(Cl)cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc1OCC ZINC000408817295 560644725 /nfs/dbraw/zinc/64/47/25/560644725.db2.gz NAPZXMKDHRGFBE-AQTBWJFISA-N 0 0 415.898 5.544 40 30 HKEBRN Cc1ccc(N=C2NC(=O)/C(=C/c3cn(Cc4ccccc4)c4ccccc34)S2)cc1 ZINC000408817595 560644681 /nfs/dbraw/zinc/64/46/81/560644681.db2.gz XYWDWTMRNUTMTE-IWIPYMOSSA-N 0 0 423.541 5.890 40 30 HKEBRN C#CCOc1c(CC=C)cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc1OCC ZINC000408817706 558653380 /nfs/dbraw/zinc/65/33/80/558653380.db2.gz NUCYKFNNIWKOJX-PGMHBOJBSA-N 0 0 419.502 5.067 40 30 HKEBRN C#CCOc1ccc2ccccc2c1/C=N/c1sc2c(c1C(=O)OCC)CCCC2 ZINC000408817737 560644662 /nfs/dbraw/zinc/64/46/62/560644662.db2.gz MBBXFGFCACJITB-WGOQTCKBSA-N 0 0 417.530 5.719 40 30 HKEBRN Cc1cccc(N=C2NC(=O)/C(=C/c3cn(Cc4ccccc4)c4ccccc34)S2)c1 ZINC000408817760 560644669 /nfs/dbraw/zinc/64/46/69/560644669.db2.gz YKCRRFPGQRGOHI-IWIPYMOSSA-N 0 0 423.541 5.890 40 30 HKEBRN O=C(COc1ccc(/C=N\c2cc(Cl)cc(Cl)c2)cc1)NC1CCCCC1 ZINC000408817812 560644709 /nfs/dbraw/zinc/64/47/09/560644709.db2.gz WJBNMKSJZXHKQC-CFRMEGHHSA-N 0 0 405.325 5.572 40 30 HKEBRN Cc1sc(/N=C/c2cc(Cl)ccc2OCc2cccc(Cl)c2)c(C#N)c1C ZINC000408818184 560644826 /nfs/dbraw/zinc/64/48/26/560644826.db2.gz ZOROGLLCHUKONE-OPEKNORGSA-N 0 0 415.345 6.873 40 30 HKEBRN Cc1ccc(NC(=O)COc2ccc(/C=N\c3ccc(Cl)c(Cl)c3)cc2)cc1 ZINC000408818252 558652828 /nfs/dbraw/zinc/65/28/28/558652828.db2.gz XHDATWOBMUHWNO-MXAYSNPKSA-N 0 0 413.304 6.070 40 30 HKEBRN C=CCOc1c(Cl)cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc1OC ZINC000408818750 560644917 /nfs/dbraw/zinc/64/49/17/560644917.db2.gz OSAFNLMMRIQSBO-ATVHPVEESA-N 0 0 401.871 5.154 40 30 HKEBRN C=CCOc1ccc(Br)cc1/C=N/N(c1ccccc1)c1ccccc1 ZINC000408818761 560644920 /nfs/dbraw/zinc/64/49/20/560644920.db2.gz YVOHFNSYCQAJGR-JJIBRWJFSA-N 0 0 407.311 6.186 40 30 HKEBRN CCOc1ccc(Cl)cc1[C@H]1Nc2ccc3ccccc3c2C2=C1C(=O)CCC2 ZINC000408818967 558653851 /nfs/dbraw/zinc/65/38/51/558653851.db2.gz ZLACKSAUCAADCF-RUZDIDTESA-N 0 0 403.909 6.565 40 30 HKEBRN CCOc1ccc(Cl)cc1[C@@H]1Nc2ccc3ccccc3c2C2=C1C(=O)CCC2 ZINC000408818970 558653772 /nfs/dbraw/zinc/65/37/72/558653772.db2.gz ZLACKSAUCAADCF-VWLOTQADSA-N 0 0 403.909 6.565 40 30 HKEBRN O=C(COc1ccc(/C=N\c2ccc(Cl)c(Cl)c2)cc1)NC1CCCCC1 ZINC000408819047 560644991 /nfs/dbraw/zinc/64/49/91/560644991.db2.gz XVQNXUPWDNKDND-CFRMEGHHSA-N 0 0 405.325 5.572 40 30 HKEBRN COc1ccc(/N=C\c2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)cc1Cl ZINC000408819058 560644999 /nfs/dbraw/zinc/64/49/99/560644999.db2.gz ZTBGSNQGNFFUJE-QFEZKATASA-N 0 0 408.885 5.425 40 30 HKEBRN C=CCOc1c(CC=C)cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc1OCC ZINC000408819274 558653952 /nfs/dbraw/zinc/65/39/52/558653952.db2.gz PRNIDQRSPURIKI-PGMHBOJBSA-N 0 0 421.518 5.620 40 30 HKEBRN C=CCn1c(C)c(/C=C2\SC(=Nc3cccc(Cl)c3)NC2=O)c2ccccc21 ZINC000408819283 560645005 /nfs/dbraw/zinc/64/50/05/560645005.db2.gz PTWUSILBHOTTOA-MOSHPQCFSA-N 0 0 407.926 5.681 40 30 HKEBRN C#CCOc1ccc2ccccc2c1/C=C1\SC(=Nc2ccccc2Cl)NC1=O ZINC000408819358 558654052 /nfs/dbraw/zinc/65/40/52/558654052.db2.gz QHKSBTILOBXKIG-STZFKDTASA-N 0 0 418.905 5.397 40 30 HKEBRN C=CCc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc(Br)c1O ZINC000408819379 560645246 /nfs/dbraw/zinc/64/52/46/560645246.db2.gz RQHXPXDLXAJFBN-WJDWOHSUSA-N 0 0 416.296 5.124 40 30 HKEBRN C=CCc1cc(/C=C2\SC(=Nc3cc(C)cc(C)c3)NC2=O)cc(OCC)c1O ZINC000408819446 560645253 /nfs/dbraw/zinc/64/52/53/560645253.db2.gz SEQVQJXYRNRBNE-MOSHPQCFSA-N 0 0 408.523 5.028 40 30 HKEBRN CCOC(=O)c1c(Cl)c(C=NNc2ccccn2)oc1Nc1cccc(Cl)c1 ZINC000408819663 560645406 /nfs/dbraw/zinc/64/54/06/560645406.db2.gz QXRYDCYJCOYPQC-KSEXSDGBSA-N 0 0 419.268 5.348 40 30 HKEBRN C=CCN1C(=O)/C(=C/c2cc(C)n(-c3cc(Cl)ccc3C)c2C)SC1=S ZINC000408819860 560645420 /nfs/dbraw/zinc/64/54/20/560645420.db2.gz UPOQAILPHMCZBX-ZDLGFXPLSA-N 0 0 402.972 5.443 40 30 HKEBRN C=CCOc1c(CC=C)cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc1OC ZINC000408819974 558653620 /nfs/dbraw/zinc/65/36/20/558653620.db2.gz SFKIPRDPKZKBOX-HKWRFOASSA-N 0 0 407.491 5.229 40 30 HKEBRN O=C1c2ccccc2C(=O)C1=Cc1cc(Cl)ccc1OCc1cccc(Cl)c1 ZINC000408820016 560645370 /nfs/dbraw/zinc/64/53/70/560645370.db2.gz SOEVIJVXZBVYPV-UHFFFAOYSA-N 0 0 409.268 6.035 40 30 HKEBRN C=CCN1C(=O)/C(=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)SC1=S ZINC000408820129 558653765 /nfs/dbraw/zinc/65/37/65/558653765.db2.gz UDBRHLNTWAUYCP-YBEGLDIGSA-N 0 0 423.390 5.788 40 30 HKEBRN CCOc1cc(C=NNc2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408820266 558655096 /nfs/dbraw/zinc/65/50/96/558655096.db2.gz UYVRVAMRWNDDAS-AFUMVMLFSA-N 0 0 415.320 6.417 40 30 HKEBRN COc1ccc(/N=C\c2cc(Br)c(Sc3ccc(Cl)cc3)o2)cn1 ZINC000408820407 558655281 /nfs/dbraw/zinc/65/52/81/558655281.db2.gz VXLLRNLUUWUHNS-JMIUGGIZSA-N 0 0 423.719 6.001 40 30 HKEBRN O=C1c2ccccc2S/C1=C\c1cc(Cl)ccc1OCc1cccc(Cl)c1 ZINC000408820476 558655336 /nfs/dbraw/zinc/65/53/36/558655336.db2.gz XXZDZKKDNWJRFK-MTJSOVHGSA-N 0 0 413.325 6.902 40 30 HKEBRN CCN(CC)c1ccc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)o1 ZINC000408820702 560645474 /nfs/dbraw/zinc/64/54/74/560645474.db2.gz ZINYDHVTOJXBIQ-FRJDLFPQSA-N 0 0 417.534 5.934 40 30 HKEBRN C=CCn1c(C)c(/C=C2\SC(Nc3cc(Cl)ccc3C)NC2=O)c2ccccc21 ZINC000408820773 558655507 /nfs/dbraw/zinc/65/55/07/558655507.db2.gz YLISCPOTBDMCTO-UHFFFAOYSA-N 0 0 422.961 5.861 40 30 HKEBRN Cc1ccc(C)c(/N=C\c2cc(Br)c(Sc3ccc(Cl)cc3)o2)c1 ZINC000408821056 560645487 /nfs/dbraw/zinc/64/54/87/560645487.db2.gz BWVZPNVVVAYAAX-JJFYIABZSA-N 0 0 420.759 7.214 40 30 HKEBRN Cc1c(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)c2ccccc2n1C ZINC000408821066 558655765 /nfs/dbraw/zinc/65/57/65/558655765.db2.gz BYKHQUIFQGRLHB-HXNPFYCNSA-N 0 0 423.541 6.295 40 30 HKEBRN N#CCOc1ccccc1/C=C1\S/C(=N\c2ccccc2)N(c2ccccc2)C1=O ZINC000408821601 560645476 /nfs/dbraw/zinc/64/54/76/560645476.db2.gz JIVACTFSMLQCQO-CVXQDMMISA-N 0 0 411.486 5.398 40 30 HKEBRN CSc1nncn1/N=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc21 ZINC000408821780 558656765 /nfs/dbraw/zinc/65/67/65/558656765.db2.gz KEYHPQYFKPHLRP-WYMPLXKRSA-N 0 0 408.914 5.268 40 30 HKEBRN Oc1ccc(Cl)cc1/C=N/c1c(-c2ccc(Cl)cc2Cl)nc2ccccn21 ZINC000408822699 560645249 /nfs/dbraw/zinc/64/52/49/560645249.db2.gz SLPIYMQMALHHQN-BHGWPJFGSA-N 0 0 416.695 6.418 40 30 HKEBRN C=CCc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc(OCC)c1OCC ZINC000408824534 560645595 /nfs/dbraw/zinc/64/55/95/560645595.db2.gz QUNMNTMNZPAACX-HKWRFOASSA-N 0 0 409.507 5.453 40 30 HKEBRN C=CCc1cc(/C=C2\SC(=O)N(C)C2=O)ccc1OCc1cccc2ccccc21 ZINC000408827901 560645627 /nfs/dbraw/zinc/64/56/27/560645627.db2.gz VHOQVXLDFODGCO-HAHDFKILSA-N 0 0 415.514 5.813 40 30 HKEBRN O=C1c2ccccc2S/C1=C\c1cc(Cl)ccc1OCc1ccc(Cl)cc1 ZINC000408840753 560646077 /nfs/dbraw/zinc/64/60/77/560646077.db2.gz FKMDQRRSPLEBBZ-MTJSOVHGSA-N 0 0 413.325 6.902 40 30 HKEBRN C=CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(F)c(Cl)c3)c2C)SC1=S ZINC000408840801 558673058 /nfs/dbraw/zinc/67/30/58/558673058.db2.gz GCDGRYQCOPVCNM-MFOYZWKCSA-N 0 0 406.935 5.274 40 30 HKEBRN COc1cccc2c(C=C3C(=O)CC4(CCCCC4)CC3=O)c(-c3ccccc3)[nH]c21 ZINC000408842277 560646117 /nfs/dbraw/zinc/64/61/17/560646117.db2.gz JVYIEYZRTRUNQZ-UHFFFAOYSA-N 0 0 413.517 6.109 40 30 HKEBRN Cc1cc(CN=Nc2ccccn2)cc(C)c1OCc1ccc(Br)cc1 ZINC000408842572 558673218 /nfs/dbraw/zinc/67/32/18/558673218.db2.gz ATXSLKLUXIVTKE-CFRMEGHHSA-N 0 0 410.315 5.486 40 30 HKEBRN CC(C)(C)c1ccc(/C=N\c2sc3c(c2C(=O)NCc2ccco2)CCCC3)cc1 ZINC000408842693 558674259 /nfs/dbraw/zinc/67/42/59/558674259.db2.gz BYRLTVHACWHUGC-DICXZTSXSA-N 0 0 420.578 6.198 40 30 HKEBRN Cc1cccc(COc2ccc(/C=C3\SC(=Nc4ccccc4F)NC3=O)cc2)c1 ZINC000408843366 560646779 /nfs/dbraw/zinc/64/67/79/560646779.db2.gz FAHDXCMMCLEPFR-HMAPJEAMSA-N 0 0 418.493 5.605 40 30 HKEBRN O=C(Nc1ccccc1)c1c2c(sc1/N=C\c1ccc3c(c1)OCCO3)CCCC2 ZINC000408843397 560646734 /nfs/dbraw/zinc/64/67/34/560646734.db2.gz FFWAKBBTGYHTOL-MYYYXRDXSA-N 0 0 418.518 5.401 40 30 HKEBRN CCOc1cc(/C=C2\SC(=Nc3ccccc3F)NC2=O)ccc1OCC(C)C ZINC000408843954 558673908 /nfs/dbraw/zinc/67/39/08/558673908.db2.gz HPFMVRFFJYPUDU-NDENLUEZSA-N 0 0 414.502 5.151 40 30 HKEBRN CC[C@@H](C)c1ccc(/N=C/c2c(Br)c(C)n(-c3ccccc3)c2C)cc1 ZINC000408844107 560646349 /nfs/dbraw/zinc/64/63/49/560646349.db2.gz HAJKRURJLZOOBR-FYHAJLKWSA-N 0 0 409.371 7.121 40 30 HKEBRN CC[C@H](C)c1ccc(/N=C/c2c(Br)c(C)n(-c3ccccc3)c2C)cc1 ZINC000408844111 560646316 /nfs/dbraw/zinc/64/63/16/560646316.db2.gz HAJKRURJLZOOBR-JZCUADNKSA-N 0 0 409.371 7.121 40 30 HKEBRN Brc1ccc(-n2cccc2/C=N/N(c2ccccc2)c2ccccc2)cc1 ZINC000408844528 560646345 /nfs/dbraw/zinc/64/63/45/560646345.db2.gz JXISJRDVBOUXHS-XIEYBQDHSA-N 0 0 416.322 6.412 40 30 HKEBRN COc1ccc(/C=C2\S/C(=N\c3ccccc3F)N(C3CCCCC3)C2=O)c(C)c1 ZINC000408844638 558677300 /nfs/dbraw/zinc/67/73/00/558677300.db2.gz CRPIXWSJYUSVOH-SHSCQTOKSA-N 0 0 424.541 6.079 40 30 HKEBRN Cc1cc(C=NNc2ccc3ccccc3n2)cc(C)c1OCc1ccc(Cl)cc1 ZINC000408845109 558675232 /nfs/dbraw/zinc/67/52/32/558675232.db2.gz FKQQIGKEVVUGTO-JFLMPSFJSA-N 0 0 415.924 6.530 40 30 HKEBRN Cc1c(/C=N\c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c2ccccc2n1C ZINC000408845180 558675228 /nfs/dbraw/zinc/67/52/28/558675228.db2.gz LKAFSEJCWOEFHJ-IWIPYMOSSA-N 0 0 401.491 6.297 40 30 HKEBRN CCc1cccc(C)c1-n1c(C)cc(/C=N/c2ccc(Br)c(C)c2)c1C ZINC000408845182 560646465 /nfs/dbraw/zinc/64/64/65/560646465.db2.gz LMJLIWZYPUIQCL-AFUMVMLFSA-N 0 0 409.371 6.786 40 30 HKEBRN C=CCOc1ccc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)cc1 ZINC000408845353 560646474 /nfs/dbraw/zinc/64/64/74/560646474.db2.gz MJAZLHOEFMTAOT-ONUIUJJFSA-N 0 0 416.546 6.195 40 30 HKEBRN Cc1cc(Br)ccc1/N=C\c1cc(Br)c(Br)o1 ZINC000408845424 558675577 /nfs/dbraw/zinc/67/55/77/558675577.db2.gz GUPQWJIOTKLFKB-SOFYXZRVSA-N 0 0 421.914 5.626 40 30 HKEBRN O=C(NCc1ccco1)c1c2c(sc1/N=C\c1cc(Cl)ccc1O)CCCC2 ZINC000408845477 558675569 /nfs/dbraw/zinc/67/55/69/558675569.db2.gz FSIBWKFFRYMCCL-MYKKPKGFSA-N 0 0 414.914 5.260 40 30 HKEBRN Cc1ccc(C)n1-c1ccc(/N=C\c2cccn2-c2ccc(Br)cc2)cc1 ZINC000408845612 560646458 /nfs/dbraw/zinc/64/64/58/560646458.db2.gz HXOBYPSFEANXMX-XYGWBWBKSA-N 0 0 418.338 6.398 40 30 HKEBRN CC(=O)Oc1cccc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)c1 ZINC000408846203 558677932 /nfs/dbraw/zinc/67/79/32/558677932.db2.gz PGRCHYIOXIXMJP-MYYYXRDXSA-N 0 0 418.518 5.555 40 30 HKEBRN COc1cc(/C=N\c2sc3c(c2C(=O)NCc2ccco2)CCCC3)ccc1C ZINC000408846490 558678945 /nfs/dbraw/zinc/67/89/45/558678945.db2.gz NQSBBUJQOSONMY-MXAYSNPKSA-N 0 0 408.523 5.218 40 30 HKEBRN Clc1ccc(-n2cccc2/C=N\c2ccc(I)cc2)cc1 ZINC000408846514 560646548 /nfs/dbraw/zinc/64/65/48/560646548.db2.gz KEENYMWGZZBCSA-NDENLUEZSA-N 0 0 406.654 5.486 40 30 HKEBRN CCc1cccc(C)c1-n1c(C)cc(/C=N/c2ccc(C(=O)OC)c(Cl)c2)c1C ZINC000408846596 558679688 /nfs/dbraw/zinc/67/96/88/558679688.db2.gz QFLXRCKLILAHSB-VULFUBBASA-N 0 0 408.929 6.156 40 30 HKEBRN Cc1ccc(/N=C\c2cccn2-c2ccc(Br)cc2)c(Br)c1 ZINC000408846627 558679856 /nfs/dbraw/zinc/67/98/56/558679856.db2.gz QWFGXODBYHNZKE-MTJSOVHGSA-N 0 0 418.132 6.061 40 30 HKEBRN Cc1ccc(/N=C2\S/C(=C\c3cc(C(C)C)c(O)c(C(C)C)c3)C(=O)N2C)cc1 ZINC000408846685 560646536 /nfs/dbraw/zinc/64/65/36/560646536.db2.gz RLKOIIZGYJBRBV-KPWFMKORSA-N 0 0 408.567 6.181 40 30 HKEBRN C=CCc1cc(C=O)cc(Br)c1OCc1ccc(Br)cc1 ZINC000408846793 558679951 /nfs/dbraw/zinc/67/99/51/558679951.db2.gz KYZQJSIHQMMMPD-UHFFFAOYSA-N 0 0 410.105 5.332 40 30 HKEBRN CC(C)(C)c1ccc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)cc1 ZINC000408846961 560646619 /nfs/dbraw/zinc/64/66/19/560646619.db2.gz LTJDTAHMMAINMK-PKAZHMFMSA-N 0 0 416.590 6.927 40 30 HKEBRN CSc1ccc(/C=N\c2sc3c(c2C(=O)NCc2ccco2)CCCC3)cc1 ZINC000408847016 558677355 /nfs/dbraw/zinc/67/73/55/558677355.db2.gz OQRMOUQTTBDTLP-CFRMEGHHSA-N 0 0 410.564 5.622 40 30 HKEBRN CC/N=C1\S/C(=C\c2ccc(-c3cccc(Br)c3)o2)C(=O)N1CC ZINC000408847051 558677358 /nfs/dbraw/zinc/67/73/58/558677358.db2.gz LELKDYJBRTWSKZ-JTHVCAJSSA-N 0 0 405.317 5.021 40 30 HKEBRN O=C1/C(=C/c2ccc(N3CCCC3)o2)S/C(=N\c2ccccc2)N1C1CCCCC1 ZINC000408847076 558677372 /nfs/dbraw/zinc/67/73/72/558677372.db2.gz MFTOSODXKMIAON-FRJDLFPQSA-N 0 0 421.566 5.817 40 30 HKEBRN Brc1cc(/C=N/c2ccc(C3CCCCC3)cc2)oc1N1CCCC1 ZINC000408847123 560646640 /nfs/dbraw/zinc/64/66/40/560646640.db2.gz LQDJSSFPIMDBJS-HZHRSRAPSA-N 0 0 401.348 6.441 40 30 HKEBRN Clc1ccc(-n2cccc2/C=N\c2cccc(I)c2)cc1 ZINC000408847157 560646642 /nfs/dbraw/zinc/64/66/42/560646642.db2.gz LYMWLMYYQOQVCJ-NDENLUEZSA-N 0 0 406.654 5.486 40 30 HKEBRN CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccc(Cl)cc1Cl ZINC000408847233 560646673 /nfs/dbraw/zinc/64/66/73/560646673.db2.gz UJSYLCUFBMTTMY-GOSISDBHSA-N 0 0 414.288 5.125 40 30 HKEBRN CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccc(Cl)cc1Cl ZINC000408847236 560646621 /nfs/dbraw/zinc/64/66/21/560646621.db2.gz UJSYLCUFBMTTMY-SFHVURJKSA-N 0 0 414.288 5.125 40 30 HKEBRN CCN(CC)c1ccc(/N=C/c2cc(Br)c(Br)o2)cc1 ZINC000408847381 558677533 /nfs/dbraw/zinc/67/75/33/558677533.db2.gz UOSOSHDLYYRKNG-VCHYOVAHSA-N 0 0 400.114 5.401 40 30 HKEBRN Cc1ccc(/N=C\c2cc(Br)c(Sc3ccc(Cl)cc3)o2)c(C)c1 ZINC000408847401 558677485 /nfs/dbraw/zinc/67/74/85/558677485.db2.gz UZYIHDADPVQSSR-JJFYIABZSA-N 0 0 420.759 7.214 40 30 HKEBRN C=CCc1cc(/C=C2\SC(=Nc3cccc(Cl)c3)NC2=O)cc(OCC)c1O ZINC000408847595 558677713 /nfs/dbraw/zinc/67/77/13/558677713.db2.gz NRUQKTSCGBQYEM-WQRHYEAKSA-N 0 0 414.914 5.064 40 30 HKEBRN CC(=O)Nc1ccc(/N=C/c2c(C)n(-c3ccccc3)c(C)c2Br)cc1 ZINC000408847652 560646695 /nfs/dbraw/zinc/64/66/95/560646695.db2.gz NXBNUTNBWMQWFD-YDZHTSKRSA-N 0 0 410.315 5.566 40 30 HKEBRN CCCOc1ccc2ccccc2c1/C=C1\SC(=Nc2ccccc2F)NC1=O ZINC000408847807 558680415 /nfs/dbraw/zinc/68/04/15/558680415.db2.gz SDTAPFYEXITIOG-STZFKDTASA-N 0 0 406.482 5.659 40 30 HKEBRN CC(=O)Oc1ccccc1/C=N\c1sc2c(c1C(=O)Nc1ccccc1)CCCC2 ZINC000408847920 558680444 /nfs/dbraw/zinc/68/04/44/558680444.db2.gz WWPKUHUHHDNQJK-MYYYXRDXSA-N 0 0 418.518 5.555 40 30 HKEBRN C/N=C1\S/C(=C\c2cc(Cl)ccc2OCc2ccc(Cl)cc2)C(=O)N1C ZINC000408847944 560646736 /nfs/dbraw/zinc/64/67/36/560646736.db2.gz VYDSQJGOGYRUMB-HQYQRZIKSA-N 0 0 407.322 5.104 40 30 HKEBRN COc1ccc(Oc2ccc(/N=C/c3cccn3-c3ccc(Cl)cc3)cc2)cc1 ZINC000408848049 558680440 /nfs/dbraw/zinc/68/04/40/558680440.db2.gz XXFVJZAFGWAUIP-YZSQISJMSA-N 0 0 402.881 6.682 40 30 HKEBRN O=C1c2ccccc2S/C1=C\c1ccccc1OCc1ccc(Cl)cc1Cl ZINC000408848053 560646767 /nfs/dbraw/zinc/64/67/67/560646767.db2.gz WTJDFOHMVLLTRZ-NHDPSOOVSA-N 0 0 413.325 6.902 40 30 HKEBRN C=CCc1cc(C=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000408848117 560646781 /nfs/dbraw/zinc/64/67/81/560646781.db2.gz PHKHXFOEPFWECH-UHFFFAOYSA-N 0 0 400.099 5.876 40 30 HKEBRN COc1cc(/C=C2\SC(=Nc3ccc(Cl)cc3C)NC2=O)ccc1OC(C)C ZINC000408848204 558680228 /nfs/dbraw/zinc/68/02/28/558680228.db2.gz QSQKLYHPVWPGJE-ODLFYWEKSA-N 0 0 416.930 5.336 40 30 HKEBRN COc1cc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)ccc1O ZINC000408848747 560646977 /nfs/dbraw/zinc/64/69/77/560646977.db2.gz SJQUFMUHPDNEFF-OYKKKHCWSA-N 0 0 406.507 5.344 40 30 HKEBRN Cc1ccc(/N=C\c2cc(Br)c(N3CCCC3)o2)c(Br)c1 ZINC000408848967 560646984 /nfs/dbraw/zinc/64/69/84/560646984.db2.gz XLNNGCGUDJOIDG-GRSHGNNSSA-N 0 0 412.125 5.464 40 30 HKEBRN CCOc1ccc(/C=C2\SC(=Nc3ccc(Cl)cc3C)NC2=O)c2ccccc12 ZINC000408848980 560646982 /nfs/dbraw/zinc/64/69/82/560646982.db2.gz XOEJPXJSSUDPIZ-BKUYFWCQSA-N 0 0 422.937 6.092 40 30 HKEBRN O=C(Nc1ccccc1)c1c(/N=C\c2cc(Cl)ccc2O)sc2c1CCCC2 ZINC000408849352 558681839 /nfs/dbraw/zinc/68/18/39/558681839.db2.gz WGHXUXQQSDGRBD-CFRMEGHHSA-N 0 0 410.926 5.989 40 30 HKEBRN CN(C)c1ccc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)cc1 ZINC000408849568 560647074 /nfs/dbraw/zinc/64/70/74/560647074.db2.gz WSVWRKCSSHKBCM-XYGWBWBKSA-N 0 0 403.551 5.696 40 30 HKEBRN CCOc1cc(C)c(/C=C2\S/C(=N\c3ccc(C)cc3)N(C)C2=O)cc1C(C)C ZINC000408849965 558683398 /nfs/dbraw/zinc/68/33/98/558683398.db2.gz BUPACSWEZFVFRF-BTRCZGFISA-N 0 0 408.567 6.059 40 30 HKEBRN COc1ccc(/N=C\c2cc(Br)c(Sc3ccc(Cl)cc3)o2)cc1 ZINC000408850052 560647076 /nfs/dbraw/zinc/64/70/76/560647076.db2.gz DUJWPIDIRJOPGJ-NHDPSOOVSA-N 0 0 422.731 6.606 40 30 HKEBRN Cc1cc(/N=C/c2cc(Br)c(Br)o2)ccc1Br ZINC000408850058 560647014 /nfs/dbraw/zinc/64/70/14/560647014.db2.gz FBBJTEKZKPPMOT-OMCISZLKSA-N 0 0 421.914 5.626 40 30 HKEBRN COc1ccc(Oc2ccc(/N=C/c3cc(Br)c(N(C)C)o3)cc2)cc1 ZINC000408850221 558683880 /nfs/dbraw/zinc/68/38/80/558683880.db2.gz IOQWXXZJDYIEKW-LPYMAVHISA-N 0 0 415.287 5.660 40 30 HKEBRN Brc1cc(/C=N\c2ccccc2Br)oc1Br ZINC000408850280 558684182 /nfs/dbraw/zinc/68/41/82/558684182.db2.gz KBIORUPABKWQBE-UUASQNMZSA-N 0 0 407.887 5.318 40 30 HKEBRN CCCCOc1ccc(/C=C2\SC(=Nc3ccccc3F)NC2=O)c2ccccc12 ZINC000408850322 558684266 /nfs/dbraw/zinc/68/42/66/558684266.db2.gz LHTFAVFQCKFMBW-JCMHNJIXSA-N 0 0 420.509 6.049 40 30 HKEBRN Cc1ccc(/N=C\c2cc(Br)c(Br)o2)c(Br)c1 ZINC000408850391 560647204 /nfs/dbraw/zinc/64/72/04/560647204.db2.gz MVIAJURGGFKLSR-SOFYXZRVSA-N 0 0 421.914 5.626 40 30 HKEBRN Clc1ccc(/N=C\c2cc(Br)c(I)o2)cc1 ZINC000408850529 560647226 /nfs/dbraw/zinc/64/72/26/560647226.db2.gz BKSVVCSEULKFKH-UUASQNMZSA-N 0 0 410.436 5.051 40 30 HKEBRN Cc1cc(I)ccc1/N=C\c1cccn1-c1ccc(Cl)cc1 ZINC000408850605 560647202 /nfs/dbraw/zinc/64/72/02/560647202.db2.gz PEBAHFAEHZDTBS-MTJSOVHGSA-N 0 0 420.681 5.794 40 30 HKEBRN C=CCOc1ccc(/C=N\c2sc3c(c2C(=O)NCc2ccco2)CCCC3)cc1 ZINC000408850880 560647230 /nfs/dbraw/zinc/64/72/30/560647230.db2.gz FIESUSANEYMYJK-YSMPRRRNSA-N 0 0 420.534 5.465 40 30 HKEBRN CCOc1ccccc1/C=C1\S/C(=N\c2ccccc2)N([C@H]2CCCC[C@@H]2C)C1=O ZINC000408850915 560647194 /nfs/dbraw/zinc/64/71/94/560647194.db2.gz GIPMCZVJWNEQRQ-BRMQIIPVSA-N 0 0 420.578 6.268 40 30 HKEBRN CCOc1ccccc1/C=C1\S/C(=N\c2ccccc2)N([C@@H]2CCCC[C@@H]2C)C1=O ZINC000408850916 558684143 /nfs/dbraw/zinc/68/41/43/558684143.db2.gz GIPMCZVJWNEQRQ-BSFKBPBTSA-N 0 0 420.578 6.268 40 30 HKEBRN CCOc1ccccc1/C=C1\S/C(=N\c2ccccc2)N([C@@H]2CCCC[C@H]2C)C1=O ZINC000408850917 558684195 /nfs/dbraw/zinc/68/41/95/558684195.db2.gz GIPMCZVJWNEQRQ-PNONHOFXSA-N 0 0 420.578 6.268 40 30 HKEBRN CCOc1ccccc1/C=C1\S/C(=N\c2ccccc2)N([C@H]2CCCC[C@H]2C)C1=O ZINC000408850918 558684082 /nfs/dbraw/zinc/68/40/82/558684082.db2.gz GIPMCZVJWNEQRQ-TUSQIEDYSA-N 0 0 420.578 6.268 40 30 HKEBRN Cc1cc(/C=C2\Sc3ccccc3C2=O)cc(C)c1OCc1ccc(Cl)cc1 ZINC000408850935 558684140 /nfs/dbraw/zinc/68/41/40/558684140.db2.gz GPNQHIKENOBWBZ-XKZIYDEJSA-N 0 0 406.934 6.865 40 30 HKEBRN Cc1ccc(C)c(/N=C\c2cc(Br)c(I)o2)c1 ZINC000408850944 560647238 /nfs/dbraw/zinc/64/72/38/560647238.db2.gz GWEDEUGVLTVCGM-APSNUPSMSA-N 0 0 404.045 5.014 40 30 HKEBRN CCOc1ccc(Cl)cc1/C=C1\SC(=Nc2cc(Cl)ccc2OC)NC1=O ZINC000408851288 560647311 /nfs/dbraw/zinc/64/73/11/560647311.db2.gz XHDMDRZCIHHWMA-MFOYZWKCSA-N 0 0 423.321 5.292 40 30 HKEBRN CC/N=C1\S/C(=C\c2cc(C)c(OCc3ccc(F)cc3)c(C)c2)C(=O)N1CC ZINC000408851362 558685395 /nfs/dbraw/zinc/68/53/95/558685395.db2.gz BYAALFYAOUNDBI-VDJWSQCXSA-N 0 0 412.530 5.334 40 30 HKEBRN Cc1cc(/N=C\c2cccn2-c2ccc(Cl)cc2)ccc1I ZINC000408851375 560647270 /nfs/dbraw/zinc/64/72/70/560647270.db2.gz YERVMEGDNMOUCU-MTJSOVHGSA-N 0 0 420.681 5.794 40 30 HKEBRN Oc1cccc(/N=C\c2cc(Br)c(Sc3ccc(Cl)cc3)o2)c1 ZINC000408851393 558685338 /nfs/dbraw/zinc/68/53/38/558685338.db2.gz YQQPJSYFTBYQFB-JMIUGGIZSA-N 0 0 408.704 6.303 40 30 HKEBRN O=[N+]([O-])c1ccc(Sc2ccc(/N=C\c3ccc(N4CCCCC4)cc3)cc2)cc1 ZINC000408851460 560647261 /nfs/dbraw/zinc/64/72/61/560647261.db2.gz KCVYUUAWMGXQRM-BWAHOGKJSA-N 0 0 417.534 6.487 40 30 HKEBRN Cc1cc(CN=Nc2ccccn2)cc(C)c1OCc1ccc(Cl)cc1Cl ZINC000408851524 560647282 /nfs/dbraw/zinc/64/72/82/560647282.db2.gz ZXYVWRIKMWANFA-ROTLSHHCSA-N 0 0 400.309 6.030 40 30 HKEBRN C=CCc1cc(C=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408851629 558685026 /nfs/dbraw/zinc/68/50/26/558685026.db2.gz DROUXPQCAHTDFL-UHFFFAOYSA-N 0 0 400.099 5.876 40 30 HKEBRN CCN(CC)c1ccc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)o1 ZINC000408851647 560646743 /nfs/dbraw/zinc/64/67/43/560646743.db2.gz FCRWTQYAABVPDU-XYGWBWBKSA-N 0 0 421.566 6.069 40 30 HKEBRN CCOc1ccc(/C=C2\S/C(=N\c3ccccc3)N([C@@H]3CCCC[C@H]3C)C2=O)cc1 ZINC000408851718 558684936 /nfs/dbraw/zinc/68/49/36/558684936.db2.gz FKLCHWAIBABRRG-MRWPGVCLSA-N 0 0 420.578 6.268 40 30 HKEBRN CCOc1ccc(/C=C2\S/C(=N\c3ccccc3)N([C@H]3CCCC[C@@H]3C)C2=O)cc1 ZINC000408851720 560646735 /nfs/dbraw/zinc/64/67/35/560646735.db2.gz FKLCHWAIBABRRG-RJXHXUQZSA-N 0 0 420.578 6.268 40 30 HKEBRN CCOc1ccc(/C=C2\S/C(=N\c3ccccc3)N([C@H]3CCCC[C@H]3C)C2=O)cc1 ZINC000408851724 560646765 /nfs/dbraw/zinc/64/67/65/560646765.db2.gz FKLCHWAIBABRRG-UEUDXMDBSA-N 0 0 420.578 6.268 40 30 HKEBRN CCOc1ccc(/C=C2\S/C(=N\c3ccccc3)N([C@@H]3CCCC[C@@H]3C)C2=O)cc1 ZINC000408851726 560646753 /nfs/dbraw/zinc/64/67/53/560646753.db2.gz FKLCHWAIBABRRG-WCUGPCOUSA-N 0 0 420.578 6.268 40 30 HKEBRN COc1ccc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)c(OC)c1 ZINC000408851825 560646840 /nfs/dbraw/zinc/64/68/40/560646840.db2.gz AIUZLCYLOSSXMU-MYYYXRDXSA-N 0 0 420.534 5.647 40 30 HKEBRN Cc1cc(/C=N/N2C(=O)c3ccccc3C2=O)cc(C)c1OCc1ccc(Cl)cc1 ZINC000408851981 558685208 /nfs/dbraw/zinc/68/52/08/558685208.db2.gz OPAHYPPIRJQWIW-LGJNPRDNSA-N 0 0 418.880 5.166 40 30 HKEBRN Cc1cc(C=NNc2ccccc2)cc(C)c1OCc1ccc(Br)cc1 ZINC000408852069 560646809 /nfs/dbraw/zinc/64/68/09/560646809.db2.gz HSKKRXUJXUFTEX-OYKKKHCWSA-N 0 0 409.327 6.091 40 30 HKEBRN COc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2c(OC)ccc3ccccc32)S1 ZINC000408852119 560646832 /nfs/dbraw/zinc/64/68/32/560646832.db2.gz IKLDVSBPFYDKKD-NDENLUEZSA-N 0 0 424.909 5.402 40 30 HKEBRN Cc1cc(/C=C2\SC(=Nc3ccccc3F)NC2=O)c(C)n1-c1ccc(F)cc1 ZINC000408852155 560646855 /nfs/dbraw/zinc/64/68/55/560646855.db2.gz IVUOJGCOJWDLCW-NDENLUEZSA-N 0 0 409.461 5.264 40 30 HKEBRN Cc1cc(/C=N/N(c2ccccc2)c2ccccc2)cc(C)c1OCc1ccc(F)cc1 ZINC000408852182 558689359 /nfs/dbraw/zinc/68/93/59/558689359.db2.gz JEVXDPBXNGPTNL-NDZAJKAJSA-N 0 0 424.519 7.194 40 30 HKEBRN Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\SC(=Nc3ccccc3F)NC2=O)o1 ZINC000408852466 558689693 /nfs/dbraw/zinc/68/96/93/558689693.db2.gz GBGISBLTCXMFAN-ODLFYWEKSA-N 0 0 423.425 5.194 40 30 HKEBRN Cc1cc(I)ccc1/N=C/c1ccc(N2CCCCC2)cc1 ZINC000408852680 558686664 /nfs/dbraw/zinc/68/66/64/558686664.db2.gz MOPQNFWAPHKFMK-KGENOOAVSA-N 0 0 404.295 5.341 40 30 HKEBRN Cc1cc(C=NNc2ccc([N+](=O)[O-])cc2)cc(C)c1OCc1ccc(Cl)cc1 ZINC000408852747 560646823 /nfs/dbraw/zinc/64/68/23/560646823.db2.gz HYVBQIXEGWMYQC-CFRMEGHHSA-N 0 0 409.873 5.890 40 30 HKEBRN CCC1N=NC(=S)N1N=Cc1c(OCc2ccc(Cl)cc2)ccc2ccccc21 ZINC000408852783 560646979 /nfs/dbraw/zinc/64/69/79/560646979.db2.gz IELJUTWTGPXJNU-ZMOGYAJESA-N 0 0 422.941 5.397 40 30 HKEBRN C=CCOc1cccc(/C=N\c2sc3c(c2C(=O)NCc2ccco2)CCCC3)c1 ZINC000408852821 560646988 /nfs/dbraw/zinc/64/69/88/560646988.db2.gz ISBLSTHFLCRSAB-YSMPRRRNSA-N 0 0 420.534 5.465 40 30 HKEBRN COc1cc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)ccc1C ZINC000408852966 560646972 /nfs/dbraw/zinc/64/69/72/560646972.db2.gz XUAQAOLYQPPQPR-MYYYXRDXSA-N 0 0 404.535 5.947 40 30 HKEBRN Brc1cc(/C=N/c2ccc(-c3ccccc3)cc2)oc1Br ZINC000408853121 558689601 /nfs/dbraw/zinc/68/96/01/558689601.db2.gz LSMDSAIZQQHNEO-RGVLZGJSSA-N 0 0 405.089 6.222 40 30 HKEBRN Cc1ccccc1/N=C\c1cc(Br)c(Sc2ccc(Cl)cc2)o1 ZINC000408853128 558685927 /nfs/dbraw/zinc/68/59/27/558685927.db2.gz PZQQQEBVIFODQB-NHDPSOOVSA-N 0 0 406.732 6.906 40 30 HKEBRN CC(C)c1ccc(/N=C/c2cc(Br)c(I)o2)cc1 ZINC000408853268 560646936 /nfs/dbraw/zinc/64/69/36/560646936.db2.gz MTKCCEYNBZWWHP-CAOOACKPSA-N 0 0 418.072 5.521 40 30 HKEBRN COc1cc(/C=C2\SC(=Nc3cc(Cl)ccc3C)NC2=O)ccc1OC(C)C ZINC000408853279 558690939 /nfs/dbraw/zinc/69/09/39/558690939.db2.gz MXFMOBBKLASFIF-GRSHGNNSSA-N 0 0 416.930 5.336 40 30 HKEBRN Cc1c(Br)c(/C=N\c2ccc(Cl)cc2Cl)c(C)n1-c1ccccc1 ZINC000408853293 560646975 /nfs/dbraw/zinc/64/69/75/560646975.db2.gz QSWLHPDOCFLFEZ-KSEXSDGBSA-N 0 0 422.153 6.914 40 30 HKEBRN O=C(Nc1ccccc1)c1c2c(sc1/N=C\c1cccc3ccccc13)CCCC2 ZINC000408853474 560647473 /nfs/dbraw/zinc/64/74/73/560647473.db2.gz UFFPDMCYBZVBCZ-PKAZHMFMSA-N 0 0 410.542 6.783 40 30 HKEBRN O=C(Nc1ccccc1)c1c(/N=C\c2cccc([N+](=O)[O-])c2)sc2c1CCCC2 ZINC000408853587 560647463 /nfs/dbraw/zinc/64/74/63/560647463.db2.gz PYXHMDAJKUYAHE-UCQKPKSFSA-N 0 0 405.479 5.538 40 30 HKEBRN CCOc1ccc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)cc1 ZINC000408853669 560647533 /nfs/dbraw/zinc/64/75/33/560647533.db2.gz WHGIMVGCYDPKBA-XYGWBWBKSA-N 0 0 404.535 6.029 40 30 HKEBRN CC/N=C1\S/C(=C\c2cc(C)n(-c3cccc(Cl)c3C)c2C)C(=O)N1CC ZINC000408853670 560647625 /nfs/dbraw/zinc/64/76/25/560647625.db2.gz WHJVDBWEVQJNFX-RINAVELBSA-N 0 0 401.963 5.368 40 30 HKEBRN CC/N=C1\S/C(=C\c2ccc(OCc3ccc(C)cc3)c(OCC)c2)C(=O)N1CC ZINC000408853696 558690272 /nfs/dbraw/zinc/69/02/72/558690272.db2.gz QRQVBOQIGMFMKA-YWROOUKNSA-N 0 0 424.566 5.285 40 30 HKEBRN CCOc1ccc(/C=N\c2sc3c(c2C(=O)NCc2ccco2)CCCC3)cc1 ZINC000408853723 558690274 /nfs/dbraw/zinc/69/02/74/558690274.db2.gz RBKFVITVIDAKKQ-QFEZKATASA-N 0 0 408.523 5.299 40 30 HKEBRN CC/N=C1\S/C(=C\c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)C(=O)N1CC ZINC000408853740 560647623 /nfs/dbraw/zinc/64/76/23/560647623.db2.gz XIVMKLNUSQCSET-ZGNGNRKCSA-N 0 0 422.381 5.713 40 30 HKEBRN Cc1ccc(C)n1-c1ccc(/N=C\c2cc(Br)c(N3CCCC3)o2)cc1 ZINC000408853838 560647639 /nfs/dbraw/zinc/64/76/39/560647639.db2.gz YCWGFNAJBLQRDT-UCQKPKSFSA-N 0 0 412.331 5.800 40 30 HKEBRN O=C(Nc1ccccc1)c1c(/N=C\c2ccc([N+](=O)[O-])cc2)sc2c1CCCC2 ZINC000408854138 558690658 /nfs/dbraw/zinc/69/06/58/558690658.db2.gz YHSKSJXXOAZVGM-UCQKPKSFSA-N 0 0 405.479 5.538 40 30 HKEBRN C[C@@H]1CCCC[C@H]1N1C(=O)/C(=C/c2ccc(N(C)C)cc2)S/C1=N\c1ccccc1 ZINC000408854248 558690628 /nfs/dbraw/zinc/69/06/28/558690628.db2.gz AWOWTQMGRSCEMX-MRWPGVCLSA-N 0 0 419.594 5.935 40 30 HKEBRN C[C@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2ccc(N(C)C)cc2)S/C1=N\c1ccccc1 ZINC000408854249 558690818 /nfs/dbraw/zinc/69/08/18/558690818.db2.gz AWOWTQMGRSCEMX-RJXHXUQZSA-N 0 0 419.594 5.935 40 30 HKEBRN C[C@@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2ccc(N(C)C)cc2)S/C1=N\c1ccccc1 ZINC000408854250 560647655 /nfs/dbraw/zinc/64/76/55/560647655.db2.gz AWOWTQMGRSCEMX-UEUDXMDBSA-N 0 0 419.594 5.935 40 30 HKEBRN C[C@H]1CCCC[C@H]1N1C(=O)/C(=C/c2ccc(N(C)C)cc2)S/C1=N\c1ccccc1 ZINC000408854251 558690809 /nfs/dbraw/zinc/69/08/09/558690809.db2.gz AWOWTQMGRSCEMX-WCUGPCOUSA-N 0 0 419.594 5.935 40 30 HKEBRN O=C1NC(=Nc2ccc(Br)cc2)S/C1=C\c1cccn1-c1ccccc1 ZINC000408854289 560647638 /nfs/dbraw/zinc/64/76/38/560647638.db2.gz BPSOETRAICSTJQ-AQTBWJFISA-N 0 0 424.323 5.131 40 30 HKEBRN CCc1ccccc1/N=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1 ZINC000408854375 558691269 /nfs/dbraw/zinc/69/12/69/558691269.db2.gz DLIVNXQBHHIODT-WSDLNYQXSA-N 0 0 420.759 7.160 40 30 HKEBRN CCc1cccc(C)c1-n1c(C)cc(/C=N\c2ccc(-n3c(C)ccc3C)cc2)c1C ZINC000408854487 558690851 /nfs/dbraw/zinc/69/08/51/558690851.db2.gz GORSRIKUJNVDEU-MIXAMLLLSA-N 0 0 409.577 7.123 40 30 HKEBRN Cc1ccc(/N=C\c2cc(Br)c(I)o2)c(C)c1 ZINC000408854546 560647643 /nfs/dbraw/zinc/64/76/43/560647643.db2.gz HZFPAANSGKZRRD-APSNUPSMSA-N 0 0 404.045 5.014 40 30 HKEBRN Cc1cc(Cl)ccc1N=C1NC(=O)/C(=C/c2cc(Br)ccc2O)S1 ZINC000408854598 558691112 /nfs/dbraw/zinc/69/11/12/558691112.db2.gz ABOGGSQBWYDLPY-NVNXTCNLSA-N 0 0 423.719 5.008 40 30 HKEBRN O=C1/C(=C/C=C/c2ccccc2)S/C(=N\c2ccccc2F)N1C1CCCCC1 ZINC000408854692 558691049 /nfs/dbraw/zinc/69/10/49/558691049.db2.gz ACAURUNCFANVQU-GONHQIRISA-N 0 0 406.526 6.319 40 30 HKEBRN Cc1cc(C=C2C(=O)c3ccccc3C2=O)cc(C)c1OCc1ccc(Cl)cc1 ZINC000408854753 560647624 /nfs/dbraw/zinc/64/76/24/560647624.db2.gz ARIYAAMMXNZKTI-UHFFFAOYSA-N 0 0 402.877 5.998 40 30 HKEBRN CCOc1cc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)ccc1O ZINC000408854795 558691018 /nfs/dbraw/zinc/69/10/18/558691018.db2.gz BLQZCTXGMHXYQZ-MYYYXRDXSA-N 0 0 420.534 5.734 40 30 HKEBRN Brc1ccc(-n2cccc2/C=N\c2ccccc2Br)cc1 ZINC000408854896 560647614 /nfs/dbraw/zinc/64/76/14/560647614.db2.gz KKVULLPZVYVXEL-NDENLUEZSA-N 0 0 404.105 5.753 40 30 HKEBRN Cc1cc(CN=Nc2ccccn2)cc(C)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408855001 560647645 /nfs/dbraw/zinc/64/76/45/560647645.db2.gz LPDVKVKZNLSKPW-ROTLSHHCSA-N 0 0 400.309 6.030 40 30 HKEBRN O=C(NCc1ccco1)c1c2c(sc1/N=C\c1cccc3ccccc13)CCCC2 ZINC000408855314 558691201 /nfs/dbraw/zinc/69/12/01/558691201.db2.gz CCEZXZRMWUFTTP-DICXZTSXSA-N 0 0 414.530 6.054 40 30 HKEBRN O=C1NC(=Nc2ccccc2)S/C1=C\c1cccn1-c1ccc(Br)cc1 ZINC000408855617 558691474 /nfs/dbraw/zinc/69/14/74/558691474.db2.gz FBTJMNXBGQXVBL-AQTBWJFISA-N 0 0 424.323 5.131 40 30 HKEBRN CC/N=C1\S/C(=C\c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)C(=O)N1CC ZINC000408855680 558691795 /nfs/dbraw/zinc/69/17/95/558691795.db2.gz GFHAKZMXARLOOA-NKHYKUCGSA-N 0 0 422.381 5.713 40 30 HKEBRN COc1ccc(-n2cccc2/C=N\c2ccc(I)c(C)c2)cc1 ZINC000408855687 558691837 /nfs/dbraw/zinc/69/18/37/558691837.db2.gz GIBJWVZPFCIJQK-BKUYFWCQSA-N 0 0 416.262 5.150 40 30 HKEBRN C[C@@H]1CCCC[C@H]1N1C(=O)/C(=C/c2ccc(Cl)cc2)S/C1=N\c1ccccc1 ZINC000408855733 560647713 /nfs/dbraw/zinc/64/77/13/560647713.db2.gz CVYMTQJQAYMLGD-DGVHBWFKSA-N 0 0 410.970 6.523 40 30 HKEBRN C[C@@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2ccc(Cl)cc2)S/C1=N\c1ccccc1 ZINC000408855736 558691850 /nfs/dbraw/zinc/69/18/50/558691850.db2.gz CVYMTQJQAYMLGD-FOOFIWMSSA-N 0 0 410.970 6.523 40 30 HKEBRN C[C@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2ccc(Cl)cc2)S/C1=N\c1ccccc1 ZINC000408855737 558691846 /nfs/dbraw/zinc/69/18/46/558691846.db2.gz CVYMTQJQAYMLGD-MNUWZKAXSA-N 0 0 410.970 6.523 40 30 HKEBRN C[C@H]1CCCC[C@H]1N1C(=O)/C(=C/c2ccc(Cl)cc2)S/C1=N\c1ccccc1 ZINC000408855740 560647706 /nfs/dbraw/zinc/64/77/06/560647706.db2.gz CVYMTQJQAYMLGD-RXQVSFMMSA-N 0 0 410.970 6.523 40 30 HKEBRN COc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2c(C)n(C)c3ccccc23)S1 ZINC000408855798 560647708 /nfs/dbraw/zinc/64/77/08/560647708.db2.gz DXFUFLUTZKQISB-ODLFYWEKSA-N 0 0 411.914 5.040 40 30 HKEBRN COc1cccc(/C=C2\S/C(=N\c3ccccc3)N([C@@H]3CCCC[C@@H]3C)C2=O)c1O ZINC000408855822 558692026 /nfs/dbraw/zinc/69/20/26/558692026.db2.gz FSTSMCMOXBIMOG-GUKOSCHXSA-N 0 0 422.550 5.584 40 30 HKEBRN COc1cccc(/C=C2\S/C(=N\c3ccccc3)N([C@@H]3CCCC[C@H]3C)C2=O)c1O ZINC000408855824 558692073 /nfs/dbraw/zinc/69/20/73/558692073.db2.gz FSTSMCMOXBIMOG-JAGJEQFHSA-N 0 0 422.550 5.584 40 30 HKEBRN COc1cccc(/C=C2\S/C(=N\c3ccccc3)N([C@H]3CCCC[C@@H]3C)C2=O)c1O ZINC000408855826 558691998 /nfs/dbraw/zinc/69/19/98/558691998.db2.gz FSTSMCMOXBIMOG-LFVGNQPMSA-N 0 0 422.550 5.584 40 30 HKEBRN COc1cccc(/C=C2\S/C(=N\c3ccccc3)N([C@H]3CCCC[C@H]3C)C2=O)c1O ZINC000408855828 558692043 /nfs/dbraw/zinc/69/20/43/558692043.db2.gz FSTSMCMOXBIMOG-MMGZIVTHSA-N 0 0 422.550 5.584 40 30 HKEBRN Cc1c(Br)c(C=NNc2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccccc1 ZINC000408855941 560647742 /nfs/dbraw/zinc/64/77/42/560647742.db2.gz GNVCFRRRHPGCLT-CIAFOILYSA-N 0 0 413.275 5.211 40 30 HKEBRN Cc1cccc(/N=C\c2cc(Br)c(Sc3ccc(Cl)cc3)o2)c1 ZINC000408856231 560647852 /nfs/dbraw/zinc/64/78/52/560647852.db2.gz PTWSXNDEJWJZKE-NHDPSOOVSA-N 0 0 406.732 6.906 40 30 HKEBRN CCn1c2ccccc2c2cc(/C=C3\SC(=Nc4ccccc4F)NC3=O)ccc21 ZINC000408856424 560647268 /nfs/dbraw/zinc/64/72/68/560647268.db2.gz HBDMUSRWCFHUCI-HMAPJEAMSA-N 0 0 415.493 5.845 40 30 HKEBRN Cc1c(Br)c(/C=N/c2cccc3ccccc32)c(C)n1-c1ccccc1 ZINC000408856574 560647252 /nfs/dbraw/zinc/64/72/52/560647252.db2.gz QLJDOIVJQJMPSG-MFKUBSTISA-N 0 0 403.323 6.760 40 30 HKEBRN C=CCOc1ccccc1/C=N/c1sc2c(c1C(=O)NCc1ccco1)CCCC2 ZINC000408856721 558691294 /nfs/dbraw/zinc/69/12/94/558691294.db2.gz DGEKQCQGGIGDSD-CVKSISIWSA-N 0 0 420.534 5.465 40 30 HKEBRN CCOc1ccc2ccccc2c1/C=C1\SC(=Nc2ccc(Cl)cc2C)NC1=O ZINC000408856788 558691929 /nfs/dbraw/zinc/69/19/29/558691929.db2.gz DRXVJXFBEUHWHJ-BKUYFWCQSA-N 0 0 422.937 6.092 40 30 HKEBRN COc1ccc(/C=C2\SC(=Nc3ccc(Cl)cc3C)NC2=O)c2ccccc12 ZINC000408857038 560647418 /nfs/dbraw/zinc/64/74/18/560647418.db2.gz MUBBHMWISGLGDY-NDENLUEZSA-N 0 0 408.910 5.702 40 30 HKEBRN C=CCOc1cccc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)c1 ZINC000408857108 560647420 /nfs/dbraw/zinc/64/74/20/560647420.db2.gz SELYCRKPFBSVDM-ONUIUJJFSA-N 0 0 416.546 6.195 40 30 HKEBRN CCc1cccc(C)c1-n1c(C)cc(/C=N/N(c2ccccc2)c2ccccc2)c1C ZINC000408857199 560647375 /nfs/dbraw/zinc/64/73/75/560647375.db2.gz NQAOJIWPWUNVCE-ZTKZIYFRSA-N 0 0 407.561 7.137 40 30 HKEBRN C=CCc1cc(/C=N\c2ccc(I)c(C)c2)cc(OCC)c1O ZINC000408857593 558692934 /nfs/dbraw/zinc/69/29/34/558692934.db2.gz OOULVQACFUGDBK-MTJSOVHGSA-N 0 0 421.278 5.183 40 30 HKEBRN Fc1ccccc1/N=C\c1cc(Br)c(Sc2ccc(Cl)cc2)o1 ZINC000408857705 558693097 /nfs/dbraw/zinc/69/30/97/558693097.db2.gz VYOBPPWENSITHT-FBHDLOMBSA-N 0 0 410.695 6.736 40 30 HKEBRN CCc1ccc(/N=C2\S/C(=C\c3ccccc3)C(=O)N2c2ccc(CC)cc2)cc1 ZINC000408857719 560647391 /nfs/dbraw/zinc/64/73/91/560647391.db2.gz PNMZJFJNXKDEGI-DZNDYGJHSA-N 0 0 412.558 6.620 40 30 HKEBRN Cc1cc(Br)ccc1/N=C\c1cccn1-c1ccc(Br)cc1 ZINC000408857767 558693351 /nfs/dbraw/zinc/69/33/51/558693351.db2.gz WLZUMJHYYBPLOM-MTJSOVHGSA-N 0 0 418.132 6.061 40 30 HKEBRN O=C(Nc1ccccc1)c1c(/N=C\c2ccc3c(c2)OCO3)sc2c1CCCC2 ZINC000408857850 558693355 /nfs/dbraw/zinc/69/33/55/558693355.db2.gz MXPSHURTXSXJCQ-CFRMEGHHSA-N 0 0 404.491 5.359 40 30 HKEBRN O=C1/C(=C/c2ccc(N3CCCC3)o2)S/C(=N\c2ccccc2)N1c1ccccc1 ZINC000408857961 560647436 /nfs/dbraw/zinc/64/74/36/560647436.db2.gz OEICHXWGYCSVDY-FRJDLFPQSA-N 0 0 415.518 5.688 40 30 HKEBRN Cc1cc(/C=C2\SC(=Nc3ccc(Cl)cc3C)NC2=O)c(C)n1-c1cccnc1 ZINC000408858097 560647524 /nfs/dbraw/zinc/64/75/24/560647524.db2.gz JMLZAZZIPBXEAI-JAIQZWGSSA-N 0 0 422.941 5.343 40 30 HKEBRN CSc1ccc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)cc1 ZINC000408858393 560647489 /nfs/dbraw/zinc/64/74/89/560647489.db2.gz OZZFEXRGLMHZFP-IWIPYMOSSA-N 0 0 406.576 6.352 40 30 HKEBRN CCc1ccc(/N=C2\S/C(=C\c3ccco3)C(=O)N2c2ccc(CC)cc2)cc1 ZINC000408858448 560647528 /nfs/dbraw/zinc/64/75/28/560647528.db2.gz ZCWZSRBKFQGABH-WMOWQXFYSA-N 0 0 402.519 6.213 40 30 HKEBRN Clc1ccc(-n2cccc2/C=N\c2ccccc2I)cc1 ZINC000408858526 560647518 /nfs/dbraw/zinc/64/75/18/560647518.db2.gz STNZVFLTHGZGGI-NDENLUEZSA-N 0 0 406.654 5.486 40 30 HKEBRN COc1ccc2ccccc2c1/C=C1\SC(=Nc2ccc(Cl)cc2C)NC1=O ZINC000408858692 560647476 /nfs/dbraw/zinc/64/74/76/560647476.db2.gz KTDMJQQQQZMYKI-NDENLUEZSA-N 0 0 408.910 5.702 40 30 HKEBRN C[C@H]1CCCC[C@H]1N1C(=O)/C(=C/c2ccc([N+](=O)[O-])o2)S/C1=N\c1ccccc1 ZINC000408859328 558699730 /nfs/dbraw/zinc/69/97/30/558699730.db2.gz SNANVMNOTSBQCL-ICBLIVCVSA-N 0 0 411.483 5.371 40 30 HKEBRN C[C@@H]1CCCC[C@H]1N1C(=O)/C(=C/c2ccc([N+](=O)[O-])o2)S/C1=N\c1ccccc1 ZINC000408859330 558699827 /nfs/dbraw/zinc/69/98/27/558699827.db2.gz SNANVMNOTSBQCL-LYCDHAJISA-N 0 0 411.483 5.371 40 30 HKEBRN C[C@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2ccc([N+](=O)[O-])o2)S/C1=N\c1ccccc1 ZINC000408859331 558699790 /nfs/dbraw/zinc/69/97/90/558699790.db2.gz SNANVMNOTSBQCL-NYBICQRHSA-N 0 0 411.483 5.371 40 30 HKEBRN C[C@@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2ccc([N+](=O)[O-])o2)S/C1=N\c1ccccc1 ZINC000408859333 558699799 /nfs/dbraw/zinc/69/97/99/558699799.db2.gz SNANVMNOTSBQCL-SHESGCGWSA-N 0 0 411.483 5.371 40 30 HKEBRN CC(=O)Oc1ccc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)cc1 ZINC000408859445 560647855 /nfs/dbraw/zinc/64/78/55/560647855.db2.gz XMXOCLIJOKQSRX-MYYYXRDXSA-N 0 0 418.518 5.555 40 30 HKEBRN COc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2ccc(OCC(C)C)cc2)S1 ZINC000408859459 560647910 /nfs/dbraw/zinc/64/79/10/560647910.db2.gz XSBGZOJZWPECPU-GRSHGNNSSA-N 0 0 416.930 5.275 40 30 HKEBRN CC(C)c1ccc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)cc1 ZINC000408859566 558699516 /nfs/dbraw/zinc/69/95/16/558699516.db2.gz VFDYQILQGIYAAJ-QQXSKIMKSA-N 0 0 402.563 6.753 40 30 HKEBRN Cc1cc(/C=N\c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)ccc1N1CCCC1 ZINC000408859656 560648003 /nfs/dbraw/zinc/64/80/03/560648003.db2.gz YVHAENDEPJMRKQ-UQQQWYQISA-N 0 0 417.534 6.405 40 30 HKEBRN Cc1cc(CN=Nc2ccc([N+](=O)[O-])cn2)cc(C)c1OCc1ccc(Cl)cc1 ZINC000408859948 558699487 /nfs/dbraw/zinc/69/94/87/558699487.db2.gz VZTWEMFZCYUIOC-MYKKPKGFSA-N 0 0 410.861 5.285 40 30 HKEBRN COc1ccc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)cc1OC ZINC000408860044 560648062 /nfs/dbraw/zinc/64/80/62/560648062.db2.gz RFQFHZUUAVYZSD-MYYYXRDXSA-N 0 0 420.534 5.647 40 30 HKEBRN CC(C)COc1ccc(/C=C2\SC(=Nc3ccccc3F)NC2=O)c2ccccc12 ZINC000408860051 558699538 /nfs/dbraw/zinc/69/95/38/558699538.db2.gz RITJHYHGNZMWMA-XKZIYDEJSA-N 0 0 420.509 5.905 40 30 HKEBRN Clc1ccc(Sc2oc(C=NNc3ccccc3)cc2Br)cc1 ZINC000408860358 558699567 /nfs/dbraw/zinc/69/95/67/558699567.db2.gz TWCWNLHZANFVQT-RGVLZGJSSA-N 0 0 407.720 6.293 40 30 HKEBRN CCOc1ccc2ccccc2c1/C=C1\SC(=Nc2cc(C)ccc2OC)NC1=O ZINC000408860449 558699786 /nfs/dbraw/zinc/69/97/86/558699786.db2.gz VYGJLWJQHZRJOZ-HMAPJEAMSA-N 0 0 418.518 5.447 40 30 HKEBRN COc1cccc(/C=C2\S/C(=N\c3ccccc3F)N(C3CCCCC3)C2=O)c1 ZINC000408860718 558701172 /nfs/dbraw/zinc/70/11/72/558701172.db2.gz CNZRCRHZUWJXIL-YVADOFBFSA-N 0 0 410.514 5.771 40 30 HKEBRN Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\SC(=Nc3ccccc3F)NC2=O)o1 ZINC000408860730 558701181 /nfs/dbraw/zinc/70/11/81/558701181.db2.gz CRUMOUFGSXNBKH-ODLFYWEKSA-N 0 0 423.425 5.194 40 30 HKEBRN CCOc1cc(/C=C2\SC(=Nc3ccc(Cl)cc3C)NC2=O)cc(Cl)c1O ZINC000408860798 560648045 /nfs/dbraw/zinc/64/80/45/560648045.db2.gz FINFNLZKQFWYLM-SXGWCWSVSA-N 0 0 423.321 5.298 40 30 HKEBRN Cc1cc(Cl)ccc1N=C1NC(=O)/C(=C/c2cccc(Br)c2)S1 ZINC000408860844 558701202 /nfs/dbraw/zinc/70/12/02/558701202.db2.gz GMXGZNZXUWSQPH-DHDCSXOGSA-N 0 0 407.720 5.303 40 30 HKEBRN C[C@@H]1CCCC[C@H]1N1C(=O)/C(=C/c2ccccc2Cl)S/C1=N\c1ccccc1 ZINC000408861107 560648061 /nfs/dbraw/zinc/64/80/61/560648061.db2.gz NFKWCUJJEFNADG-DGVHBWFKSA-N 0 0 410.970 6.523 40 30 HKEBRN C[C@@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2ccccc2Cl)S/C1=N\c1ccccc1 ZINC000408861108 560647980 /nfs/dbraw/zinc/64/79/80/560647980.db2.gz NFKWCUJJEFNADG-FOOFIWMSSA-N 0 0 410.970 6.523 40 30 HKEBRN C[C@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2ccccc2Cl)S/C1=N\c1ccccc1 ZINC000408861109 558700057 /nfs/dbraw/zinc/70/00/57/558700057.db2.gz NFKWCUJJEFNADG-MNUWZKAXSA-N 0 0 410.970 6.523 40 30 HKEBRN C[C@H]1CCCC[C@H]1N1C(=O)/C(=C/c2ccccc2Cl)S/C1=N\c1ccccc1 ZINC000408861110 558700191 /nfs/dbraw/zinc/70/01/91/558700191.db2.gz NFKWCUJJEFNADG-RXQVSFMMSA-N 0 0 410.970 6.523 40 30 HKEBRN COc1ccc(/C=C2\S/C(=N\c3ccccc3)N([C@@H]3CCCC[C@H]3C)C2=O)cc1 ZINC000408861140 560647997 /nfs/dbraw/zinc/64/79/97/560647997.db2.gz NWWZUDLHSRYJFA-BGVWXJRNSA-N 0 0 406.551 5.878 40 30 HKEBRN COc1ccc(/C=C2\S/C(=N\c3ccccc3)N([C@@H]3CCCC[C@@H]3C)C2=O)cc1 ZINC000408861141 560648001 /nfs/dbraw/zinc/64/80/01/560648001.db2.gz NWWZUDLHSRYJFA-GJJAMFMGSA-N 0 0 406.551 5.878 40 30 HKEBRN COc1ccc(/C=C2\S/C(=N\c3ccccc3)N([C@H]3CCCC[C@H]3C)C2=O)cc1 ZINC000408861142 560648058 /nfs/dbraw/zinc/64/80/58/560648058.db2.gz NWWZUDLHSRYJFA-UWKLGMFTSA-N 0 0 406.551 5.878 40 30 HKEBRN COc1ccc(/C=C2\S/C(=N\c3ccccc3)N([C@H]3CCCC[C@@H]3C)C2=O)cc1 ZINC000408861143 558700167 /nfs/dbraw/zinc/70/01/67/558700167.db2.gz NWWZUDLHSRYJFA-YFUWRXDOSA-N 0 0 406.551 5.878 40 30 HKEBRN Cc1cc(/C=C2\SC(=Nc3ccccc3F)NC2=O)c(C)n1-c1ccc(C)c(C)c1 ZINC000408861362 558700507 /nfs/dbraw/zinc/70/05/07/558700507.db2.gz CLPDSJLZMAJLRX-XKZIYDEJSA-N 0 0 419.525 5.742 40 30 HKEBRN COc1ccc(C)cc1N=C1NC(=O)/C(=C/c2ccc3[nH]c4ccccc4c3c2)S1 ZINC000408861388 558700493 /nfs/dbraw/zinc/70/04/93/558700493.db2.gz RKHSQZATCXWSGT-XKZIYDEJSA-N 0 0 413.502 5.530 40 30 HKEBRN CC(C)c1ccc(/C=C2\S/C(=N\c3ccccc3F)N(C3CCCCC3)C2=O)cc1 ZINC000408861504 560648135 /nfs/dbraw/zinc/64/81/35/560648135.db2.gz BKSMRUCRUXXTCC-WOARFCOISA-N 0 0 422.569 6.886 40 30 HKEBRN COc1ccc(-n2c(C)cc(/C=C3\SC(=Nc4ccccc4F)NC3=O)c2C)cc1 ZINC000408861600 560648071 /nfs/dbraw/zinc/64/80/71/560648071.db2.gz DJRITGQMWGGSPE-BKUYFWCQSA-N 0 0 421.497 5.133 40 30 HKEBRN C=CCn1c(C)c(/C=C2\SC(=Nc3cc(Cl)ccc3C)NC2=O)c2ccccc21 ZINC000408861666 558701194 /nfs/dbraw/zinc/70/11/94/558701194.db2.gz FHRZJEBNAHCETH-BKUYFWCQSA-N 0 0 421.953 5.989 40 30 HKEBRN Cc1cc(Cl)ccc1N=C1NC(=O)/C(=C/c2ccc(O)c(Br)c2)S1 ZINC000408861701 560648078 /nfs/dbraw/zinc/64/80/78/560648078.db2.gz FVZSQVAXMVKRNL-NVNXTCNLSA-N 0 0 423.719 5.008 40 30 HKEBRN COc1cc(C)c(/C=C2\SC(=Nc3cc(Cl)ccc3C)NC2=O)cc1C(C)C ZINC000408862176 560648118 /nfs/dbraw/zinc/64/81/18/560648118.db2.gz GAQSJRCVTRCCGN-JMIUGGIZSA-N 0 0 414.958 5.980 40 30 HKEBRN COc1ccc(/C=C2\S/C(=N\c3ccccc3)N([C@@H]3CCCC[C@H]3C)C2=O)cc1C ZINC000408862208 560648076 /nfs/dbraw/zinc/64/80/76/560648076.db2.gz GGLJDLOGGRDQFK-LBNOWXFCSA-N 0 0 420.578 6.186 40 30 HKEBRN COc1ccc(/C=C2\S/C(=N\c3ccccc3)N([C@H]3CCCC[C@H]3C)C2=O)cc1C ZINC000408862209 558701563 /nfs/dbraw/zinc/70/15/63/558701563.db2.gz GGLJDLOGGRDQFK-PXSHAUCYSA-N 0 0 420.578 6.186 40 30 HKEBRN COc1ccc(/C=C2\S/C(=N\c3ccccc3)N([C@@H]3CCCC[C@@H]3C)C2=O)cc1C ZINC000408862212 560648081 /nfs/dbraw/zinc/64/80/81/560648081.db2.gz GGLJDLOGGRDQFK-VUWMNBKMSA-N 0 0 420.578 6.186 40 30 HKEBRN COc1ccc(/C=C2\S/C(=N\c3ccccc3)N([C@H]3CCCC[C@@H]3C)C2=O)cc1C ZINC000408862215 560648083 /nfs/dbraw/zinc/64/80/83/560648083.db2.gz GGLJDLOGGRDQFK-ZMCYPXNOSA-N 0 0 420.578 6.186 40 30 HKEBRN C[C@@H]1CCCC[C@H]1N1C(=O)/C(=C/c2c[nH]c3ccccc23)S/C1=N\c1ccccc1 ZINC000408862415 558701677 /nfs/dbraw/zinc/70/16/77/558701677.db2.gz YPCWJGVXBHHBBA-DCXNZSQRSA-N 0 0 415.562 6.351 40 30 HKEBRN C[C@@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2c[nH]c3ccccc23)S/C1=N\c1ccccc1 ZINC000408862417 560648073 /nfs/dbraw/zinc/64/80/73/560648073.db2.gz YPCWJGVXBHHBBA-JQOGPOMBSA-N 0 0 415.562 6.351 40 30 HKEBRN C[C@H]1CCCC[C@H]1N1C(=O)/C(=C/c2c[nH]c3ccccc23)S/C1=N\c1ccccc1 ZINC000408862419 558701618 /nfs/dbraw/zinc/70/16/18/558701618.db2.gz YPCWJGVXBHHBBA-SVAUMFNYSA-N 0 0 415.562 6.351 40 30 HKEBRN C[C@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2c[nH]c3ccccc23)S/C1=N\c1ccccc1 ZINC000408862421 558701682 /nfs/dbraw/zinc/70/16/82/558701682.db2.gz YPCWJGVXBHHBBA-YQHJSQCKSA-N 0 0 415.562 6.351 40 30 HKEBRN Cc1cc(Cl)ccc1N=C1NC(=O)/C(=C/c2ccc(OCC(C)C)cc2)S1 ZINC000408862847 560648087 /nfs/dbraw/zinc/64/80/87/560648087.db2.gz IFYGUFDLXXSNOW-ODLFYWEKSA-N 0 0 400.931 5.575 40 30 HKEBRN COc1ccc(C)cc1N=C1NC(=O)/C(=C/c2ccc(OC)c3ccccc23)S1 ZINC000408863020 560648131 /nfs/dbraw/zinc/64/81/31/560648131.db2.gz KKBYKYQORVPMFM-BKUYFWCQSA-N 0 0 404.491 5.057 40 30 HKEBRN CCOc1ccc(Cl)cc1/C=C1\SC(=Nc2ccc(Cl)cc2C)NC1=O ZINC000408863206 560648141 /nfs/dbraw/zinc/64/81/41/560648141.db2.gz LAXAAQKEFRDBBZ-YVLHZVERSA-N 0 0 407.322 5.592 40 30 HKEBRN O=C1NC(=Nc2ccccc2F)S/C1=C\c1ccc(OCc2cccc(F)c2)cc1 ZINC000408863214 560648095 /nfs/dbraw/zinc/64/80/95/560648095.db2.gz MBFCPCIAOLOTRJ-BKUYFWCQSA-N 0 0 422.456 5.435 40 30 HKEBRN CCOc1cc(/C=C2\SC(=Nc3cc(Cl)ccc3C)NC2=O)cc(Cl)c1O ZINC000408863224 560648276 /nfs/dbraw/zinc/64/82/76/560648276.db2.gz MEQFZKCNBZXUEO-PXNMLYILSA-N 0 0 423.321 5.298 40 30 HKEBRN S=C(N/N=C/c1ccc(OCc2ccc3ccccc3c2)cc1)Nc1ccccc1 ZINC000408863378 560648257 /nfs/dbraw/zinc/64/82/57/560648257.db2.gz NQWFRZJAXQTSSF-YZSQISJMSA-N 0 0 411.530 5.739 40 30 HKEBRN Cc1cc(Cl)ccc1N=C1NC(=O)/C(=C/c2ccc(-c3ccc(F)cc3)o2)S1 ZINC000408863506 560648263 /nfs/dbraw/zinc/64/82/63/560648263.db2.gz SIJLLTBZTSLCJH-ODLFYWEKSA-N 0 0 412.873 5.939 40 30 HKEBRN Cc1cc(/C=C2\SC(=Nc3ccccc3F)NC2=O)c(C)n1-c1ccc(C)cc1 ZINC000408863772 558701755 /nfs/dbraw/zinc/70/17/55/558701755.db2.gz PYKGKMNFFMLEEL-BKUYFWCQSA-N 0 0 405.498 5.433 40 30 HKEBRN COc1ccc(C)cc1N=C1NC(=O)/C(=C/c2ccc(-c3ccc(F)cc3)o2)S1 ZINC000408863816 558701783 /nfs/dbraw/zinc/70/17/83/558701783.db2.gz URLOFMUSKKGSEX-NDENLUEZSA-N 0 0 408.454 5.294 40 30 HKEBRN COc1ccc(/C=C2\S/C(=N\c3ccccc3)N([C@H]3CCCC[C@@H]3C)C2=O)c(C)c1 ZINC000408864018 560648287 /nfs/dbraw/zinc/64/82/87/560648287.db2.gz WHWWRTWQOPAMLY-JNKLAQAPSA-N 0 0 420.578 6.186 40 30 HKEBRN COc1ccc(/C=C2\S/C(=N\c3ccccc3)N([C@@H]3CCCC[C@@H]3C)C2=O)c(C)c1 ZINC000408864019 558702032 /nfs/dbraw/zinc/70/20/32/558702032.db2.gz WHWWRTWQOPAMLY-KISPXDPQSA-N 0 0 420.578 6.186 40 30 HKEBRN COc1ccc(/C=C2\S/C(=N\c3ccccc3)N([C@H]3CCCC[C@H]3C)C2=O)c(C)c1 ZINC000408864020 558702041 /nfs/dbraw/zinc/70/20/41/558702041.db2.gz WHWWRTWQOPAMLY-PNBGZZPSSA-N 0 0 420.578 6.186 40 30 HKEBRN COc1ccc(/C=C2\S/C(=N\c3ccccc3)N([C@@H]3CCCC[C@H]3C)C2=O)c(C)c1 ZINC000408864021 560648286 /nfs/dbraw/zinc/64/82/86/560648286.db2.gz WHWWRTWQOPAMLY-TUMRIQNHSA-N 0 0 420.578 6.186 40 30 HKEBRN COc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2ccc(OC(C)C)cc2)S1 ZINC000408864059 558702037 /nfs/dbraw/zinc/70/20/37/558702037.db2.gz SBJCTYAMDQCTPJ-ZDLGFXPLSA-N 0 0 402.903 5.027 40 30 HKEBRN Cc1cc(Cl)ccc1N=C1NC(=O)/C(=C/c2ccc3[nH]c4ccccc4c3c2)S1 ZINC000408864194 560648126 /nfs/dbraw/zinc/64/81/26/560648126.db2.gz XHDLFAJZYOMXEC-MTJSOVHGSA-N 0 0 417.921 6.175 40 30 HKEBRN Cc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2cccc(Br)c2)S1 ZINC000408864329 558702728 /nfs/dbraw/zinc/70/27/28/558702728.db2.gz YPNSGZMKGQYVSO-NVNXTCNLSA-N 0 0 407.720 5.303 40 30 HKEBRN O=C1NC(=Nc2ccccc2F)S/C1=C\c1ccc(OCc2ccccc2)cc1 ZINC000408864525 560648274 /nfs/dbraw/zinc/64/82/74/560648274.db2.gz WTKIJFCODQVUDX-STZFKDTASA-N 0 0 404.466 5.296 40 30 HKEBRN COc1ccccc1/C=C1\S/C(=N\c2ccccc2)N([C@H]2CCCC[C@H]2C)C1=O ZINC000408864658 560648310 /nfs/dbraw/zinc/64/83/10/560648310.db2.gz YYXQJLFSJKWLCM-COIIWPEYSA-N 0 0 406.551 5.878 40 30 HKEBRN COc1ccccc1/C=C1\S/C(=N\c2ccccc2)N([C@@H]2CCCC[C@H]2C)C1=O ZINC000408864659 560648343 /nfs/dbraw/zinc/64/83/43/560648343.db2.gz YYXQJLFSJKWLCM-JJLKGMGFSA-N 0 0 406.551 5.878 40 30 HKEBRN COc1ccccc1/C=C1\S/C(=N\c2ccccc2)N([C@H]2CCCC[C@@H]2C)C1=O ZINC000408864661 560648305 /nfs/dbraw/zinc/64/83/05/560648305.db2.gz YYXQJLFSJKWLCM-NDFJWNGTSA-N 0 0 406.551 5.878 40 30 HKEBRN COc1ccccc1/C=C1\S/C(=N\c2ccccc2)N([C@@H]2CCCC[C@@H]2C)C1=O ZINC000408864663 558702004 /nfs/dbraw/zinc/70/20/04/558702004.db2.gz YYXQJLFSJKWLCM-XUJDEEJSSA-N 0 0 406.551 5.878 40 30 HKEBRN Cc1cc(Cl)ccc1N=C1NC(=O)/C(=C/c2ccc(N3CCCCC3)o2)S1 ZINC000408864768 560648293 /nfs/dbraw/zinc/64/82/93/560648293.db2.gz ZDIILJIDLHNRFO-ATVHPVEESA-N 0 0 401.919 5.123 40 30 HKEBRN CCOc1ccc(/C=C2\SC(=Nc3cc(Cl)ccc3C)NC2=O)cc1OCC ZINC000408864888 560648309 /nfs/dbraw/zinc/64/83/09/560648309.db2.gz ACVYIBSJQHTMEW-ODLFYWEKSA-N 0 0 416.930 5.337 40 30 HKEBRN O=C1/C(=C/c2ccc3c(c2)OCO3)S/C(=N\c2ccccc2F)N1C1CCCCC1 ZINC000408864908 560648320 /nfs/dbraw/zinc/64/83/20/560648320.db2.gz AZDDDJGKAFJCMT-LGHZWSLZSA-N 0 0 424.497 5.491 40 30 HKEBRN COc1ccc(C)cc1N=C1NC(=O)/C(=C/c2cc(C)n(-c3ccccc3)c2C)S1 ZINC000408865413 558703014 /nfs/dbraw/zinc/70/30/14/558703014.db2.gz CIEGUAIPHWLPBN-HMAPJEAMSA-N 0 0 417.534 5.303 40 30 HKEBRN Cc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2ccc(OCC(C)C)cc2)S1 ZINC000408865500 560648325 /nfs/dbraw/zinc/64/83/25/560648325.db2.gz CSPOIFOWSONDRA-GRSHGNNSSA-N 0 0 400.931 5.575 40 30 HKEBRN O=C1NC(=Nc2ccccc2F)S/C1=C\c1ccccc1OCc1ccccc1 ZINC000408866855 560648516 /nfs/dbraw/zinc/64/85/16/560648516.db2.gz HBFDRNVADXEZBR-STZFKDTASA-N 0 0 404.466 5.296 40 30 HKEBRN Cc1cc(/C=C2\SC(=Nc3ccc(Cl)cc3C)NC2=O)c(C)n1-c1ccccc1 ZINC000408867016 560648462 /nfs/dbraw/zinc/64/84/62/560648462.db2.gz HWJXKRGNAUCLKD-BKUYFWCQSA-N 0 0 421.953 5.948 40 30 HKEBRN COc1cc(Cl)c(/C=C2\SC(=Nc3ccc(Cl)cc3C)NC2=O)cc1OC ZINC000408867083 560648529 /nfs/dbraw/zinc/64/85/29/560648529.db2.gz IQTCYDQAGMWTQI-IUXPMGMMSA-N 0 0 423.321 5.211 40 30 HKEBRN CCCOc1ccc(/C=C2\SC(=Nc3cc(Cl)ccc3OC)NC2=O)cc1 ZINC000408867242 560648608 /nfs/dbraw/zinc/64/86/08/560648608.db2.gz KOKVWJZYTNSLFF-WQRHYEAKSA-N 0 0 402.903 5.029 40 30 HKEBRN CCOc1cc(C=NNc2nc3ccccc3s2)cc(Br)c1OCC ZINC000408867260 560648589 /nfs/dbraw/zinc/64/85/89/560648589.db2.gz LBGRZPBAUYVSED-RGVLZGJSSA-N 0 0 420.332 5.302 40 30 HKEBRN C#CCOc1ccc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1Cl ZINC000408867312 558704010 /nfs/dbraw/zinc/70/40/10/558704010.db2.gz LMBNERUAFIZZOZ-WQRHYEAKSA-N 0 0 418.301 5.242 40 30 HKEBRN CCOc1ccccc1/C=C1\S/C(=N\c2ccccc2F)N(C2CCCCC2)C1=O ZINC000408867720 560648596 /nfs/dbraw/zinc/64/85/96/560648596.db2.gz KAPCHXHHJDGVNM-BIFPGVLTSA-N 0 0 424.541 6.161 40 30 HKEBRN CCOc1ccc(Cl)cc1/C=C1\SC(=Nc2cc(Cl)ccc2C)NC1=O ZINC000408867806 558704740 /nfs/dbraw/zinc/70/47/40/558704740.db2.gz NVVQFFLHYWLKOH-MFOYZWKCSA-N 0 0 407.322 5.592 40 30 HKEBRN COc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2ccc(OC)c3ccccc23)S1 ZINC000408868293 560648762 /nfs/dbraw/zinc/64/87/62/560648762.db2.gz LRNZASKWYYPKRN-JAIQZWGSSA-N 0 0 424.909 5.402 40 30 HKEBRN CCOc1ccc(/C=C2\SC(=Nc3cc(C)ccc3OC)NC2=O)c2ccccc12 ZINC000408868296 560648781 /nfs/dbraw/zinc/64/87/81/560648781.db2.gz PJTJDGGMWCAUAW-HMAPJEAMSA-N 0 0 418.518 5.447 40 30 HKEBRN COc1cc(/C=C2\S/C(=N\c3ccccc3F)N(C3CCCCC3)C2=O)ccc1C ZINC000408868482 558704217 /nfs/dbraw/zinc/70/42/17/558704217.db2.gz MRHBVENKVAUINL-SHSCQTOKSA-N 0 0 424.541 6.079 40 30 HKEBRN COc1cccc(/C=C2\S/C(=N\c3ccccc3)N([C@@H]3CCCC[C@H]3C)C2=O)c1 ZINC000408868731 558704412 /nfs/dbraw/zinc/70/44/12/558704412.db2.gz BAPKPYICNJAOQQ-BGVWXJRNSA-N 0 0 406.551 5.878 40 30 HKEBRN COc1cccc(/C=C2\S/C(=N\c3ccccc3)N([C@@H]3CCCC[C@@H]3C)C2=O)c1 ZINC000408868734 558704471 /nfs/dbraw/zinc/70/44/71/558704471.db2.gz BAPKPYICNJAOQQ-GJJAMFMGSA-N 0 0 406.551 5.878 40 30 HKEBRN COc1cccc(/C=C2\S/C(=N\c3ccccc3)N([C@H]3CCCC[C@H]3C)C2=O)c1 ZINC000408868737 560648752 /nfs/dbraw/zinc/64/87/52/560648752.db2.gz BAPKPYICNJAOQQ-UWKLGMFTSA-N 0 0 406.551 5.878 40 30 HKEBRN COc1cccc(/C=C2\S/C(=N\c3ccccc3)N([C@H]3CCCC[C@@H]3C)C2=O)c1 ZINC000408868740 560648694 /nfs/dbraw/zinc/64/86/94/560648694.db2.gz BAPKPYICNJAOQQ-YFUWRXDOSA-N 0 0 406.551 5.878 40 30 HKEBRN COc1ccc(/C=C2\S/C(=N\c3ccccc3F)N(C3CCCCC3)C2=O)cc1C ZINC000408869722 560648819 /nfs/dbraw/zinc/64/88/19/560648819.db2.gz QOGAUOMXFPNMNS-SHSCQTOKSA-N 0 0 424.541 6.079 40 30 HKEBRN COc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2ccc(C(C)(C)C)cc2)S1 ZINC000408869876 560648279 /nfs/dbraw/zinc/64/82/79/560648279.db2.gz SHHVGNYIKKPRRS-WQRHYEAKSA-N 0 0 400.931 5.538 40 30 HKEBRN CN(C)c1ccc(/C=C2\S/C(=N\c3ccccc3F)N(C3CCCCC3)C2=O)cc1 ZINC000408870062 558705072 /nfs/dbraw/zinc/70/50/72/558705072.db2.gz RRZKWODLSOHPPY-BIFPGVLTSA-N 0 0 423.557 5.828 40 30 HKEBRN COc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2ccc(Cl)cc2Cl)S1 ZINC000408870105 560648876 /nfs/dbraw/zinc/64/88/76/560648876.db2.gz RVBJBOOEMHBWLP-UUASQNMZSA-N 0 0 413.713 5.547 40 30 HKEBRN COc1ccccc1/C=C1\S/C(=N\c2ccccc2F)N(C2CCCCC2)C1=O ZINC000408870237 558705410 /nfs/dbraw/zinc/70/54/10/558705410.db2.gz VYMYEJXOFIJJTL-YVADOFBFSA-N 0 0 410.514 5.771 40 30 HKEBRN CCOc1cccc(/C=C2\S/C(=N\c3ccccc3)N([C@@H]3CCCC[C@H]3C)C2=O)c1 ZINC000408870310 558705351 /nfs/dbraw/zinc/70/53/51/558705351.db2.gz VUQDDAYWCUHHHF-MRWPGVCLSA-N 0 0 420.578 6.268 40 30 HKEBRN CCOc1cccc(/C=C2\S/C(=N\c3ccccc3)N([C@H]3CCCC[C@@H]3C)C2=O)c1 ZINC000408870313 560648815 /nfs/dbraw/zinc/64/88/15/560648815.db2.gz VUQDDAYWCUHHHF-RJXHXUQZSA-N 0 0 420.578 6.268 40 30 HKEBRN CCOc1cccc(/C=C2\S/C(=N\c3ccccc3)N([C@H]3CCCC[C@H]3C)C2=O)c1 ZINC000408870318 558705404 /nfs/dbraw/zinc/70/54/04/558705404.db2.gz VUQDDAYWCUHHHF-UEUDXMDBSA-N 0 0 420.578 6.268 40 30 HKEBRN CCOc1cccc(/C=C2\S/C(=N\c3ccccc3)N([C@@H]3CCCC[C@@H]3C)C2=O)c1 ZINC000408870321 558705210 /nfs/dbraw/zinc/70/52/10/558705210.db2.gz VUQDDAYWCUHHHF-WCUGPCOUSA-N 0 0 420.578 6.268 40 30 HKEBRN C[C@H]1CCCC[C@H]1N1C(=O)/C(=C/c2ccc3c(c2)OCO3)S/C1=N\c1ccccc1 ZINC000408870665 560648865 /nfs/dbraw/zinc/64/88/65/560648865.db2.gz WJJHPGHSPYPKRK-AOWGUIBLSA-N 0 0 420.534 5.598 40 30 HKEBRN C[C@@H]1CCCC[C@H]1N1C(=O)/C(=C/c2ccc3c(c2)OCO3)S/C1=N\c1ccccc1 ZINC000408870669 558705356 /nfs/dbraw/zinc/70/53/56/558705356.db2.gz WJJHPGHSPYPKRK-INPJYJNQSA-N 0 0 420.534 5.598 40 30 HKEBRN C[C@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2ccc3c(c2)OCO3)S/C1=N\c1ccccc1 ZINC000408870673 558705391 /nfs/dbraw/zinc/70/53/91/558705391.db2.gz WJJHPGHSPYPKRK-IYBUDIMNSA-N 0 0 420.534 5.598 40 30 HKEBRN C[C@@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2ccc3c(c2)OCO3)S/C1=N\c1ccccc1 ZINC000408870675 558705360 /nfs/dbraw/zinc/70/53/60/558705360.db2.gz WJJHPGHSPYPKRK-KNMGTQRDSA-N 0 0 420.534 5.598 40 30 HKEBRN COc1cc(/C=C2\S/C(=N\c3ccccc3)N([C@H]3CCCC[C@@H]3C)C2=O)ccc1O ZINC000408872310 558706899 /nfs/dbraw/zinc/70/68/99/558706899.db2.gz CUXUXGGKDUWPPA-CWVPHJIKSA-N 0 0 422.550 5.584 40 30 HKEBRN COc1cc(/C=C2\S/C(=N\c3ccccc3)N([C@@H]3CCCC[C@@H]3C)C2=O)ccc1O ZINC000408872311 558707014 /nfs/dbraw/zinc/70/70/14/558707014.db2.gz CUXUXGGKDUWPPA-OKFLVUJMSA-N 0 0 422.550 5.584 40 30 HKEBRN COc1cc(/C=C2\S/C(=N\c3ccccc3)N([C@H]3CCCC[C@H]3C)C2=O)ccc1O ZINC000408872312 560649089 /nfs/dbraw/zinc/64/90/89/560649089.db2.gz CUXUXGGKDUWPPA-QIMZEWHMSA-N 0 0 422.550 5.584 40 30 HKEBRN COc1cc(/C=C2\S/C(=N\c3ccccc3)N([C@@H]3CCCC[C@H]3C)C2=O)ccc1O ZINC000408872313 560649060 /nfs/dbraw/zinc/64/90/60/560649060.db2.gz CUXUXGGKDUWPPA-YQHGCNTFSA-N 0 0 422.550 5.584 40 30 HKEBRN Cc1cc(/C=C2\SC(=Nc3ccccc3F)NC2=O)c(C)n1-c1cccc(C)c1C ZINC000408872433 558706894 /nfs/dbraw/zinc/70/68/94/558706894.db2.gz NIMYUMWEUCUXAX-XKZIYDEJSA-N 0 0 419.525 5.742 40 30 HKEBRN COc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2cccc(Br)c2)S1 ZINC000408872673 558706905 /nfs/dbraw/zinc/70/69/05/558706905.db2.gz NYIKQNLWWZAGNQ-NVNXTCNLSA-N 0 0 423.719 5.003 40 30 HKEBRN COc1ccc(/C=C2\SC(=Nc3cc(Cl)ccc3C)NC2=O)c2ccccc12 ZINC000408872830 558707262 /nfs/dbraw/zinc/70/72/62/558707262.db2.gz JMVMIPHVLSIJQP-JAIQZWGSSA-N 0 0 408.910 5.702 40 30 HKEBRN Cc1cc(/C=C2\SC(=Nc3ccccc3F)NC2=O)c(C)n1-c1c(C)cccc1C ZINC000408872886 560649122 /nfs/dbraw/zinc/64/91/22/560649122.db2.gz KQBNRRTZDMCRDQ-BKUYFWCQSA-N 0 0 419.525 5.742 40 30 HKEBRN CCC1N=NC(=S)N1N=Cc1cc(C)n(-c2ccc(-c3ccccc3)cc2)c1C ZINC000408873053 558706355 /nfs/dbraw/zinc/70/63/55/558706355.db2.gz RCJNHYPIMGVFID-BUVRLJJBSA-N 0 0 401.539 5.086 40 30 HKEBRN CCOc1ccc(/C=C2\S/C(=N\c3ccccc3F)N(C3CCCCC3)C2=O)cc1 ZINC000408873384 560649054 /nfs/dbraw/zinc/64/90/54/560649054.db2.gz QEJTUYOQWYJOOF-BIFPGVLTSA-N 0 0 424.541 6.161 40 30 HKEBRN O=C1/C(=C/c2ccc(Cl)cc2)S/C(=N\c2ccccc2F)N1C1CCCCC1 ZINC000408873405 560649080 /nfs/dbraw/zinc/64/90/80/560649080.db2.gz QOTNKWNVQBECTH-UDGIJHFQSA-N 0 0 414.933 6.416 40 30 HKEBRN COc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2ccc(Br)cc2)S1 ZINC000408873420 558706684 /nfs/dbraw/zinc/70/66/84/558706684.db2.gz QXRUAKAUKCBBDY-NVNXTCNLSA-N 0 0 423.719 5.003 40 30 HKEBRN CC1N=NC(=S)N1N=Cc1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 ZINC000408873558 558706733 /nfs/dbraw/zinc/70/67/33/558706733.db2.gz RYJGHEIHFVFMSM-LSFURLLWSA-N 0 0 416.337 5.067 40 30 HKEBRN COc1ccc(C)cc1N=C1NC(=O)/C(=C/c2c(OC)ccc3ccccc32)S1 ZINC000408873653 558707205 /nfs/dbraw/zinc/70/72/05/558707205.db2.gz UNAZAIVVDSMOJB-BKUYFWCQSA-N 0 0 404.491 5.057 40 30 HKEBRN CC(C)c1ccc(/C=C2\S/C(=N\c3ccccc3)N([C@@H]3CCCC[C@H]3C)C2=O)cc1 ZINC000408874573 558708053 /nfs/dbraw/zinc/70/80/53/558708053.db2.gz CARUVMPXQKJAAM-LUTPDKMQSA-N 0 0 418.606 6.993 40 30 HKEBRN CC(C)c1ccc(/C=C2\S/C(=N\c3ccccc3)N([C@@H]3CCCC[C@@H]3C)C2=O)cc1 ZINC000408874574 558708016 /nfs/dbraw/zinc/70/80/16/558708016.db2.gz CARUVMPXQKJAAM-NGIOUVRZSA-N 0 0 418.606 6.993 40 30 HKEBRN CC(C)c1ccc(/C=C2\S/C(=N\c3ccccc3)N([C@H]3CCCC[C@H]3C)C2=O)cc1 ZINC000408874575 558707923 /nfs/dbraw/zinc/70/79/23/558707923.db2.gz CARUVMPXQKJAAM-OQDSOZAYSA-N 0 0 418.606 6.993 40 30 HKEBRN CC(C)c1ccc(/C=C2\S/C(=N\c3ccccc3)N([C@H]3CCCC[C@@H]3C)C2=O)cc1 ZINC000408874576 560649233 /nfs/dbraw/zinc/64/92/33/560649233.db2.gz CARUVMPXQKJAAM-PNKJTKAASA-N 0 0 418.606 6.993 40 30 HKEBRN Cc1cc(Cl)ccc1N=C1NC(=O)/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)S1 ZINC000408874581 558707969 /nfs/dbraw/zinc/70/79/69/558707969.db2.gz CBVYKNAUQXRZJU-NVNXTCNLSA-N 0 0 408.266 5.102 40 30 HKEBRN Cc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2ccc3[nH]c4ccccc4c3c2)S1 ZINC000408874874 558707988 /nfs/dbraw/zinc/70/79/88/558707988.db2.gz BQNSAOXSMHDAHE-NHDPSOOVSA-N 0 0 417.921 6.175 40 30 HKEBRN C/C(=N\NC(=S)Nc1ccccc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1 ZINC000408874999 558708206 /nfs/dbraw/zinc/70/82/06/558708206.db2.gz HCTKAUQSJAQANY-CVKSISIWSA-N 0 0 422.941 5.303 40 30 HKEBRN C=CCOc1ccc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1Cl ZINC000408875515 560649290 /nfs/dbraw/zinc/64/92/90/560649290.db2.gz JNEJVANSIBEBJW-WQRHYEAKSA-N 0 0 420.317 5.795 40 30 HKEBRN CCOc1ccc(/C=C2\SC(=Nc3cc(Cl)ccc3C)NC2=O)c2ccccc12 ZINC000408876334 560649458 /nfs/dbraw/zinc/64/94/58/560649458.db2.gz NWJAKZQRDFUGFF-MTJSOVHGSA-N 0 0 422.937 6.092 40 30 HKEBRN C=CCOc1ccc(/C=C2\SC(=Nc3ccc(Cl)cc3C)NC2=O)cc1OC ZINC000408876466 560649454 /nfs/dbraw/zinc/64/94/54/560649454.db2.gz PACNKUDDLRUCDN-UNOMPAQXSA-N 0 0 414.914 5.113 40 30 HKEBRN COC(=O)C1=C(C)N(c2ccccc2)C(=Cc2ccc(-c3cccc(Cl)c3)o2)C1=O ZINC000408876595 558709000 /nfs/dbraw/zinc/70/90/00/558709000.db2.gz QJLFEHGNRUQBNI-XSFVSMFZSA-N 0 0 419.864 5.477 40 30 HKEBRN CCOc1ccc(/C=C2\SC(=Nc3ccc(Cl)cc3C)NC2=O)cc1OCC ZINC000408877034 558710482 /nfs/dbraw/zinc/71/04/82/558710482.db2.gz SKWDMVUVVSJULS-UNOMPAQXSA-N 0 0 416.930 5.337 40 30 HKEBRN COc1cc(C)c(/C=C2\SC(=Nc3ccc(Cl)cc3C)NC2=O)cc1C(C)C ZINC000408877486 560649445 /nfs/dbraw/zinc/64/94/45/560649445.db2.gz RWEANVXQTOAXQX-JAIQZWGSSA-N 0 0 414.958 5.980 40 30 HKEBRN COc1cc(/C=C2\S/C(=N\c3ccccc3)N([C@@H]3CCCC[C@H]3C)C2=O)ccc1C ZINC000408878134 558710805 /nfs/dbraw/zinc/71/08/05/558710805.db2.gz WUMBFJBEHMJIRC-LBNOWXFCSA-N 0 0 420.578 6.186 40 30 HKEBRN COc1cc(/C=C2\S/C(=N\c3ccccc3)N([C@H]3CCCC[C@H]3C)C2=O)ccc1C ZINC000408878135 558710661 /nfs/dbraw/zinc/71/06/61/558710661.db2.gz WUMBFJBEHMJIRC-PXSHAUCYSA-N 0 0 420.578 6.186 40 30 HKEBRN COc1cc(/C=C2\S/C(=N\c3ccccc3)N([C@@H]3CCCC[C@@H]3C)C2=O)ccc1C ZINC000408878136 558710783 /nfs/dbraw/zinc/71/07/83/558710783.db2.gz WUMBFJBEHMJIRC-VUWMNBKMSA-N 0 0 420.578 6.186 40 30 HKEBRN COc1cc(/C=C2\S/C(=N\c3ccccc3)N([C@H]3CCCC[C@@H]3C)C2=O)ccc1C ZINC000408878137 558710703 /nfs/dbraw/zinc/71/07/03/558710703.db2.gz WUMBFJBEHMJIRC-ZMCYPXNOSA-N 0 0 420.578 6.186 40 30 HKEBRN O=[N+]([O-])c1ccc(N=NCc2ccc(OCc3ccccc3Cl)c(Cl)c2)nc1 ZINC000408880365 560649355 /nfs/dbraw/zinc/64/93/55/560649355.db2.gz HMNYSOBUCIRHOZ-AUEPDCJTSA-N 0 0 417.252 5.322 40 30 HKEBRN COc1ccc(/C=C2\S/C(=N\c3ccccc3F)N(C3CCCCC3)C2=O)cc1 ZINC000408880483 558712067 /nfs/dbraw/zinc/71/20/67/558712067.db2.gz JGQLFLAZNUNFCS-YVADOFBFSA-N 0 0 410.514 5.771 40 30 HKEBRN C=CCn1c(C)c(/C=C2\SC(=Nc3cc(C)ccc3OC)NC2=O)c2ccccc21 ZINC000408880779 560649928 /nfs/dbraw/zinc/64/99/28/560649928.db2.gz HHEWKZIZDVCOBH-HMAPJEAMSA-N 0 0 417.534 5.344 40 30 HKEBRN Cc1ccc(C(=O)Oc2cccc(/C=C3\SC(=Nc4ccccc4)NC3=O)c2)cc1 ZINC000408881201 560649941 /nfs/dbraw/zinc/64/99/41/560649941.db2.gz KCLPCCFPTDBJMJ-QNGOZBTKSA-N 0 0 414.486 5.106 40 30 HKEBRN COc1ccc(C)cc1N=C1NC(=O)/C(=C/c2cc(C(C)C)c(OC)cc2C)S1 ZINC000408881260 558711988 /nfs/dbraw/zinc/71/19/88/558711988.db2.gz KMPLLFMMOOGANK-MTJSOVHGSA-N 0 0 410.539 5.336 40 30 HKEBRN O=C1/C(=C/c2ccc([N+](=O)[O-])o2)S/C(=N\c2ccccc2F)N1C1CCCCC1 ZINC000408882095 560649982 /nfs/dbraw/zinc/64/99/82/560649982.db2.gz PQBVPWFIXSVLEP-RDTAYAABSA-N 0 0 415.446 5.264 40 30 HKEBRN COc1cc(Cl)c(/C=C2\SC(=Nc3cc(Cl)ccc3C)NC2=O)cc1OC ZINC000408882265 558713232 /nfs/dbraw/zinc/71/32/32/558713232.db2.gz NFDMEEPTZKBJMY-IDUWFGFVSA-N 0 0 423.321 5.211 40 30 HKEBRN CC1N=NC(=S)N1N=Cc1c(OCc2ccc(Cl)cc2)ccc2ccccc21 ZINC000408882279 560650002 /nfs/dbraw/zinc/65/00/02/560650002.db2.gz MFEAYPAFWZBCOH-FSJBWODESA-N 0 0 408.914 5.143 40 30 HKEBRN CCOc1cccc(/C=C2\S/C(=N\c3ccccc3F)N(C3CCCCC3)C2=O)c1 ZINC000408882456 558712496 /nfs/dbraw/zinc/71/24/96/558712496.db2.gz NFOVUBOETLBOSQ-BIFPGVLTSA-N 0 0 424.541 6.161 40 30 HKEBRN Cc1ccc(C(=O)Oc2ccc(/C=C3\SC(=Nc4ccccc4)NC3=O)cc2)cc1 ZINC000408884008 560649729 /nfs/dbraw/zinc/64/97/29/560649729.db2.gz XNJDTSMXGRUYIY-QNGOZBTKSA-N 0 0 414.486 5.106 40 30 HKEBRN C[C@@H]1CCCC[C@@H]1N1C(=O)/C(=C/C=C/c2ccccc2)S/C1=N\c1ccccc1 ZINC000408884437 560649759 /nfs/dbraw/zinc/64/97/59/560649759.db2.gz UKKKCPOJZUWBCQ-DIMVSMHCSA-N 0 0 402.563 6.426 40 30 HKEBRN C[C@@H]1CCCC[C@H]1N1C(=O)/C(=C/C=C/c2ccccc2)S/C1=N\c1ccccc1 ZINC000408884441 558713211 /nfs/dbraw/zinc/71/32/11/558713211.db2.gz UKKKCPOJZUWBCQ-FNWWWWEASA-N 0 0 402.563 6.426 40 30 HKEBRN C[C@H]1CCCC[C@@H]1N1C(=O)/C(=C/C=C/c2ccccc2)S/C1=N\c1ccccc1 ZINC000408884444 560649764 /nfs/dbraw/zinc/64/97/64/560649764.db2.gz UKKKCPOJZUWBCQ-ILMQGDNJSA-N 0 0 402.563 6.426 40 30 HKEBRN C[C@H]1CCCC[C@H]1N1C(=O)/C(=C/C=C/c2ccccc2)S/C1=N\c1ccccc1 ZINC000408884449 560649757 /nfs/dbraw/zinc/64/97/57/560649757.db2.gz UKKKCPOJZUWBCQ-SYCWVLCSSA-N 0 0 402.563 6.426 40 30 HKEBRN COc1ccc(C)cc1N=C1NC(=O)/C(=C/c2c3ccccc3cc3ccccc32)S1 ZINC000408884640 560649727 /nfs/dbraw/zinc/64/97/27/560649727.db2.gz YPKVQWPLNSWGBE-IWIPYMOSSA-N 0 0 424.525 6.202 40 30 HKEBRN O=C1NC(=Nc2ccccc2F)S/C1=C\c1ccc(OCc2ccc(F)cc2)cc1 ZINC000408884848 558714028 /nfs/dbraw/zinc/71/40/28/558714028.db2.gz VQAQOEUWDZQUEL-BKUYFWCQSA-N 0 0 422.456 5.435 40 30 HKEBRN COc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2cccc(Cl)c2Cl)S1 ZINC000408884888 560649872 /nfs/dbraw/zinc/64/98/72/560649872.db2.gz VWVXDGWKIDYOEI-AUWJEWJLSA-N 0 0 413.713 5.547 40 30 HKEBRN CCCCCCOc1ccccc1/C=C1\SC(=Nc2ccc(OC)cc2)NC1=O ZINC000408884909 558714100 /nfs/dbraw/zinc/71/41/00/558714100.db2.gz ZBBDZXMWCZNLLG-PGMHBOJBSA-N 0 0 410.539 5.546 40 30 HKEBRN CCCCCCOc1ccccc1/C=C1\SC(=Nc2ccc(Cl)cc2)NC1=O ZINC000408885961 558714388 /nfs/dbraw/zinc/71/43/88/558714388.db2.gz BWPFUJDYSPAFFN-HKWRFOASSA-N 0 0 414.958 6.191 40 30 HKEBRN Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)S2)cc1 ZINC000408886359 560650217 /nfs/dbraw/zinc/65/02/17/560650217.db2.gz KGXRYEPZJAXBLU-NDENLUEZSA-N 0 0 419.462 5.363 40 30 HKEBRN COc1cccc(/C=C2\SC(=Nc3ccccc3)NC2=O)c1OCc1ccccc1 ZINC000408889041 560650122 /nfs/dbraw/zinc/65/01/22/560650122.db2.gz AZURIYBZNSIMHC-QNGOZBTKSA-N 0 0 416.502 5.166 40 30 HKEBRN Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(OCc4ccccc4C)cc3)S2)cc1 ZINC000408889341 558715277 /nfs/dbraw/zinc/71/52/77/558715277.db2.gz CSECEXLSZONHCO-HAHDFKILSA-N 0 0 414.530 5.774 40 30 HKEBRN Cn1cc(C2C3=C(CC(C)(C)CC3=O)N(C)C3=C2C(=O)CC(C)(C)C3)c2ccccc21 ZINC000408889638 560650175 /nfs/dbraw/zinc/65/01/75/560650175.db2.gz IGAFDPGDKWJNHV-UHFFFAOYSA-N 0 0 416.565 5.494 40 30 HKEBRN CN1C2=C(C(=O)CC(C)(C)C2)C(c2c[nH]c3ccccc32)C2=C1CC(C)(C)CC2=O ZINC000408889800 558715463 /nfs/dbraw/zinc/71/54/63/558715463.db2.gz JGTZPDHUVSFKJH-UHFFFAOYSA-N 0 0 402.538 5.483 40 30 HKEBRN CCn1cc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)c2ccccc21 ZINC000408890354 558716075 /nfs/dbraw/zinc/71/60/75/558716075.db2.gz RTDKZYDAHUVYTN-UHFFFAOYSA-N 0 0 416.565 5.634 40 30 HKEBRN O=[N+]([O-])c1ccc(N=NCc2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)nc1 ZINC000408890391 558716119 /nfs/dbraw/zinc/71/61/19/558716119.db2.gz SJOOENNYETWJNA-AUEPDCJTSA-N 0 0 417.252 5.322 40 30 HKEBRN O=[N+]([O-])c1ccc(N=NCc2cc(Cl)cc(Cl)c2OCc2ccccc2)nc1 ZINC000408892013 560650957 /nfs/dbraw/zinc/65/09/57/560650957.db2.gz XFIPIEHPWOTEJH-AUEPDCJTSA-N 0 0 417.252 5.322 40 30 HKEBRN COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=Cc2sccc2C)C1=O ZINC000408892098 558717326 /nfs/dbraw/zinc/71/73/26/558717326.db2.gz GAIFDENGCZJZMX-DHDCSXOGSA-N 0 0 408.306 5.241 40 30 HKEBRN Cc1ccccc1COc1ccc(/C=C2\SC(=Nc3ccccc3)NC2=O)cc1 ZINC000408892132 558717235 /nfs/dbraw/zinc/71/72/35/558717235.db2.gz BGRONHPIURQEPK-JCMHNJIXSA-N 0 0 400.503 5.466 40 30 HKEBRN Cc1ccc(-c2ccc(/C=C3\SC(=Nc4ccccc4)NC3=O)o2)c([N+](=O)[O-])c1 ZINC000408892495 558717363 /nfs/dbraw/zinc/71/73/63/558717363.db2.gz BWZRRMGDPNRWPL-UNOMPAQXSA-N 0 0 405.435 5.055 40 30 HKEBRN O=C1CCCC2=C1C(c1c[nH]c3ccccc31)C1=C(CCCC1=O)N2Cc1ccccc1 ZINC000408892901 560651008 /nfs/dbraw/zinc/65/10/08/560651008.db2.gz AGAPSYUDWKQGII-UHFFFAOYSA-N 0 0 422.528 5.782 40 30 HKEBRN CCCOc1c(Cl)cc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc1OC ZINC000408892942 560651096 /nfs/dbraw/zinc/65/10/96/560651096.db2.gz AVBQMLFEOGILIS-UHFFFAOYSA-N 0 0 416.901 5.265 40 30 HKEBRN C=CCOc1ccc(/C=C2\C(=O)N(c3ccc(Cl)cc3)C(C)=C2C(=O)OCC)cc1 ZINC000408893953 558719286 /nfs/dbraw/zinc/71/92/86/558719286.db2.gz OWCGJWAUICVPRX-QNGOZBTKSA-N 0 0 423.896 5.172 40 30 HKEBRN CCOc1cc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc(Cl)c1OCC ZINC000408894167 558719277 /nfs/dbraw/zinc/71/92/77/558719277.db2.gz DWHROVBWUSFOSK-UHFFFAOYSA-N 0 0 416.901 5.265 40 30 HKEBRN CCCOc1ccc(C2C3=C(CC(C)(C)CC3=O)N(C)C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000408894179 560650498 /nfs/dbraw/zinc/65/04/98/560650498.db2.gz DYBOSGCRIRYBTF-UHFFFAOYSA-N 0 0 421.581 5.791 40 30 HKEBRN C=CCOc1ccccc1C1C2=C(CC(C)(C)CC2=O)N(C)C2=C1C(=O)CC(C)(C)C2 ZINC000408894861 558718930 /nfs/dbraw/zinc/71/89/30/558718930.db2.gz GLIRRLAWDIJLBL-UHFFFAOYSA-N 0 0 419.565 5.567 40 30 HKEBRN CCCOc1ccccc1C1C2=C(CC(C)(C)CC2=O)NC2=C1C(=O)CC(C)(C)C2 ZINC000408895453 558719450 /nfs/dbraw/zinc/71/94/50/558719450.db2.gz HSVWXGGSGXOHBW-UHFFFAOYSA-N 0 0 407.554 5.449 40 30 HKEBRN COc1ccc(N=C2NC(=O)/C(=C/c3c4ccccc4cc4ccccc43)S2)cc1 ZINC000408895746 558719407 /nfs/dbraw/zinc/71/94/07/558719407.db2.gz OCIBGFXULSILPI-HAHDFKILSA-N 0 0 410.498 5.893 40 30 HKEBRN O=[N+]([O-])c1ccc(N=NCc2ccc(OCc3c(Cl)cccc3Cl)cc2)nc1 ZINC000408897120 560651535 /nfs/dbraw/zinc/65/15/35/560651535.db2.gz VVQYTIXKZVLXLL-AUEPDCJTSA-N 0 0 417.252 5.322 40 30 HKEBRN C#CCOc1ccc(C2C3=C(CC(C)(C)CC3=O)N(C)C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000408897508 560651600 /nfs/dbraw/zinc/65/16/00/560651600.db2.gz NMVMFCRVGSBROM-UHFFFAOYSA-N 0 0 417.549 5.014 40 30 HKEBRN COc1cc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc(Cl)c1OC(C)C ZINC000408897692 558722597 /nfs/dbraw/zinc/72/25/97/558722597.db2.gz NSWZBHIFBLKNCT-UHFFFAOYSA-N 0 0 416.901 5.264 40 30 HKEBRN O=C1CCCC2=C1C(c1cn(Cc3ccccc3)c3ccccc13)C1=C(CCCC1=O)O2 ZINC000408898701 558724700 /nfs/dbraw/zinc/72/47/00/558724700.db2.gz RNSOZWSIBIGJNP-UHFFFAOYSA-N 0 0 423.512 5.818 40 30 HKEBRN CC(C)Oc1ccc(C2C3=C(CC(C)(C)CC3=O)N(C)C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000408899118 558723486 /nfs/dbraw/zinc/72/34/86/558723486.db2.gz SYESMCFOEXMFLR-UHFFFAOYSA-N 0 0 421.581 5.789 40 30 HKEBRN CC(C)Oc1ccccc1C1C2=C(CC(C)(C)CC2=O)N(C)C2=C1C(=O)CC(C)(C)C2 ZINC000408899808 560651055 /nfs/dbraw/zinc/65/10/55/560651055.db2.gz VWXHBDQNBMXVDQ-UHFFFAOYSA-N 0 0 421.581 5.789 40 30 HKEBRN O=C1CCCC2=C1C(c1cn(Cc3ccccc3)c3ccccc13)C1=C(CCCC1=O)N2 ZINC000408899842 560651094 /nfs/dbraw/zinc/65/10/94/560651094.db2.gz WEAXDKKUVPNHRS-UHFFFAOYSA-N 0 0 422.528 5.391 40 30 HKEBRN Cc1ccc(C(=O)Oc2ccccc2/C=C2\SC(=Nc3ccccc3)NC2=O)cc1 ZINC000408900632 560651191 /nfs/dbraw/zinc/65/11/91/560651191.db2.gz XAWPFONHBIBUSQ-QNGOZBTKSA-N 0 0 414.486 5.106 40 30 HKEBRN C=CCOc1ccc(-n2c(C)cc(/C=C3/C(=O)N(c4ccccc4)N=C3C)c2C)cc1 ZINC000408901274 560651278 /nfs/dbraw/zinc/65/12/78/560651278.db2.gz CWOTUPXRIXJJLB-KOEQRZSOSA-N 0 0 411.505 5.465 40 30 HKEBRN C=CCOc1c(Cl)cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1OC ZINC000408901481 560651314 /nfs/dbraw/zinc/65/13/14/560651314.db2.gz FUAKAQUFYMPKCJ-SFQUDFHCSA-N 0 0 417.939 5.319 40 30 HKEBRN Cc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccc(C#N)cc1 ZINC000408901500 558724628 /nfs/dbraw/zinc/72/46/28/558724628.db2.gz GEXVIGOGXKYEBV-FYJGNVAPSA-N 0 0 415.543 5.372 40 30 HKEBRN C=CCc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(OC)c1OCC ZINC000408902456 558726149 /nfs/dbraw/zinc/72/61/49/558726149.db2.gz NZARAUKNIQKWCR-XMHGGMMESA-N 0 0 411.548 5.228 40 30 HKEBRN C=CCOc1c(Cl)cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1Cl ZINC000408902678 560652190 /nfs/dbraw/zinc/65/21/90/560652190.db2.gz PSUHMUXOGBXSCX-LFIBNONCSA-N 0 0 422.358 5.964 40 30 HKEBRN C=CCc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(OCC)c1OC ZINC000408902767 558726966 /nfs/dbraw/zinc/72/69/66/558726966.db2.gz REHOPYFBDFOETM-XMHGGMMESA-N 0 0 411.548 5.228 40 30 HKEBRN Cc1cc(/C=C2\C(C)=NN(c3ccccc3)C2=O)c(C)n1-c1sc(C)c(C)c1C#N ZINC000408903197 558727177 /nfs/dbraw/zinc/72/71/77/558727177.db2.gz VMHSATBXWUSULC-CIAFOILYSA-N 0 0 414.534 5.450 40 30 HKEBRN C#CCOc1c(Cl)cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1Cl ZINC000408903223 560652393 /nfs/dbraw/zinc/65/23/93/560652393.db2.gz VXMCRMWEUVTXTI-LFIBNONCSA-N 0 0 420.342 5.411 40 30 HKEBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cn(Cc2ccccc2C#N)c2ccccc12 ZINC000408903269 558726665 /nfs/dbraw/zinc/72/66/65/558726665.db2.gz WSNGWGIUUYXBAX-MFKUBSTISA-N 0 0 416.484 5.367 40 30 HKEBRN C=CCOc1ccc2ccccc2c1/C=C1/SC(=S)N(c2ccccc2)C1=O ZINC000408903528 560652450 /nfs/dbraw/zinc/65/24/50/560652450.db2.gz ZDLQERNXSQPSMO-RCCKNPSSSA-N 0 0 403.528 5.810 40 30 HKEBRN Oc1ccc(/C=N/c2ccc(C3CCCCC3)cc2)cc1I ZINC000408904019 558728126 /nfs/dbraw/zinc/72/81/26/558728126.db2.gz CJWWSFOBGMKHCO-FYJGNVAPSA-N 0 0 405.279 5.795 40 30 HKEBRN Cc1ccc(C)n1-c1ccc(/N=C\c2ccc(O)c(I)c2)cc1 ZINC000408904589 560651809 /nfs/dbraw/zinc/65/18/09/560651809.db2.gz LVXNKFIPBGZINX-MTJSOVHGSA-N 0 0 416.262 5.155 40 30 HKEBRN CCOc1ccc(/C=N/c2cccc3ccccc32)cc1I ZINC000408904658 560651845 /nfs/dbraw/zinc/65/18/45/560651845.db2.gz MTECFZQPLRTYRS-FYJGNVAPSA-N 0 0 401.247 5.594 40 30 HKEBRN CCOc1ccc(/C=N\c2ccc(Cl)cc2Cl)cc1I ZINC000408905142 558728391 /nfs/dbraw/zinc/72/83/91/558728391.db2.gz UGGAGYCLUQZLFZ-OCKHKDLRSA-N 0 0 420.077 5.747 40 30 HKEBRN CCOc1ccc(/C=N\c2cccc(Cl)c2Cl)cc1I ZINC000408905189 560651792 /nfs/dbraw/zinc/65/17/92/560651792.db2.gz UXAUSFLXZXSPTJ-OCKHKDLRSA-N 0 0 420.077 5.747 40 30 HKEBRN Oc1ccc(/C=N/c2ccc(Nc3ccccc3)cc2)cc1I ZINC000408905199 560651814 /nfs/dbraw/zinc/65/18/14/560651814.db2.gz VAOFORRZIMFGCI-FYJGNVAPSA-N 0 0 414.246 5.491 40 30 HKEBRN CCOc1ccc(/C=N\c2ccc(C(C)(C)C)cc2)cc1I ZINC000408905399 560651821 /nfs/dbraw/zinc/65/18/21/560651821.db2.gz YKNZNROUIHEHPT-BKUYFWCQSA-N 0 0 407.295 5.738 40 30 HKEBRN Oc1ccc(/C=N/N(c2ccccc2)c2ccccc2)cc1I ZINC000408905436 558728414 /nfs/dbraw/zinc/72/84/14/558728414.db2.gz YMYFNJATZASESB-KGENOOAVSA-N 0 0 414.246 5.169 40 30 HKEBRN C=CCc1cc(/C=C2/S/C(=N\c3ccccc3)N(CCC)C2=O)cc(OCC)c1O ZINC000408905454 558728462 /nfs/dbraw/zinc/72/84/62/558728462.db2.gz AJMWXPIHBYUCCO-RAFWRMIMSA-N 0 0 422.550 5.533 40 30 HKEBRN O=C1/C(=C\c2ccccc2O)S/C(=N\c2ccccc2)N1CCc1ccccc1 ZINC000408905467 560651820 /nfs/dbraw/zinc/65/18/20/560651820.db2.gz AMTJEALELVWJPV-AIQBXGKYSA-N 0 0 400.503 5.239 40 30 HKEBRN CCOc1ccc(/C=N\c2ccc(Cl)c(Cl)c2)cc1I ZINC000408905533 558728636 /nfs/dbraw/zinc/72/86/36/558728636.db2.gz YVYJLKQYMBDNGE-OCKHKDLRSA-N 0 0 420.077 5.747 40 30 HKEBRN CCOc1ccc(/C=C2/S/C(=N\c3ccccc3)N(Cc3ccccc3)C2=O)cc1 ZINC000408905601 560651910 /nfs/dbraw/zinc/65/19/10/560651910.db2.gz BNDBCZBPOUZOSA-OBUXZSPNSA-N 0 0 414.530 5.890 40 30 HKEBRN CCN1C(=O)/C(=C\c2cc(Cl)c(O)c(OC)c2)S/C1=N\c1cc(C)ccc1C ZINC000408905630 560651939 /nfs/dbraw/zinc/65/19/39/560651939.db2.gz BTIHPYOBDADJJD-UXTWZOPHSA-N 0 0 416.930 5.295 40 30 HKEBRN CCOc1cc(/C=C2/S/C(=N\c3c(C)cccc3C)N(CC)C2=O)ccc1OC ZINC000408905677 558728602 /nfs/dbraw/zinc/72/86/02/558728602.db2.gz CGPQABRVDJMJTR-ZSICUCBDSA-N 0 0 410.539 5.335 40 30 HKEBRN COc1ccccc1/C=C1/S/C(=N\c2ccccc2)N([C@@H](C)c2ccccc2)C1=O ZINC000408905695 558728867 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CCN1C(=O)/C(=C\c2ccc(OCC(C)C)cc2)S/C1=N\c1c(C)cccc1C ZINC000408906709 560651998 /nfs/dbraw/zinc/65/19/98/560651998.db2.gz JTRMHMMFVUZGKJ-MDIFQPDJSA-N 0 0 408.567 5.962 40 30 HKEBRN CCN1C(=O)/C(=C\c2ccc(OC(C)C)c(OC)c2)S/C1=N\c1cc(C)ccc1C ZINC000408906720 560651990 /nfs/dbraw/zinc/65/19/90/560651990.db2.gz DJFHEHAOZOKKRL-QMSJJHEMSA-N 0 0 424.566 5.723 40 30 HKEBRN CCN1C(=O)/C(=C\c2cccc(Br)c2)S/C1=N\c1c(C)cccc1C ZINC000408906741 560652009 /nfs/dbraw/zinc/65/20/09/560652009.db2.gz JZZLSSITQXMIEH-JRLDGGGSSA-N 0 0 415.356 5.690 40 30 HKEBRN CCN1C(=O)/C(=C\c2ccc(Br)o2)S/C1=N\c1cc(C)ccc1C ZINC000408906779 560652015 /nfs/dbraw/zinc/65/20/15/560652015.db2.gz DPYHHIJENLQYKE-GOIJELEESA-N 0 0 405.317 5.283 40 30 HKEBRN CCCN1C(=O)/C(=C\c2cc(OC)c(OC)cc2Cl)S/C1=N\c1ccccc1 ZINC000408906892 558728434 /nfs/dbraw/zinc/72/84/34/558728434.db2.gz DYJFSGFGRIUZGM-CRUFNBOHSA-N 0 0 416.930 5.371 40 30 HKEBRN O=C1/C(=C\c2c[nH]c3ccccc23)S/C(=N\c2ccccc2)N1Cc1ccccc1 ZINC000408906899 560651995 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558730041 /nfs/dbraw/zinc/73/00/41/558730041.db2.gz MILYREWDDMMBPX-RERTVAKNSA-N 0 0 408.523 5.274 40 30 HKEBRN CCOc1ccc(/C=C2/S/C(=N\c3cc(C)ccc3C)N(CC)C2=O)cc1OC ZINC000408907425 558730356 /nfs/dbraw/zinc/73/03/56/558730356.db2.gz NLTXQAWEUHYJAN-NFEGURHZSA-N 0 0 410.539 5.335 40 30 HKEBRN CCCCN1C(=O)/C(=C\c2ccc(OC(C)C)cc2)S/C1=N\c1ccc(C)cc1 ZINC000408907548 560652151 /nfs/dbraw/zinc/65/21/51/560652151.db2.gz BIEZVEFOYLXVTA-FTJNEJEMSA-N 0 0 408.567 6.186 40 30 HKEBRN CCOc1ccc(Cl)cc1/C=C1/S/C(=N\c2ccccc2CC)N(CC)C1=O ZINC000408907558 560652158 /nfs/dbraw/zinc/65/21/58/560652158.db2.gz BJEXNVDEDLASJO-NVTWWLNUSA-N 0 0 414.958 5.925 40 30 HKEBRN C=CCOc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N([C@@H](C)CC)C2=O)cc1 ZINC000408907559 560652147 /nfs/dbraw/zinc/65/21/47/560652147.db2.gz BJQSOAQJSWCGPH-FNXXDVGZSA-N 0 0 406.551 5.962 40 30 HKEBRN C=CCOc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N([C@H](C)CC)C2=O)cc1 ZINC000408907561 558730385 /nfs/dbraw/zinc/73/03/85/558730385.db2.gz BJQSOAQJSWCGPH-KDNQEJAHSA-N 0 0 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IFLRYUZHLGPENA-OQNHBUHUSA-N 0 0 415.562 6.150 40 30 HKEBRN Cc1ccc(/N=C2\S/C(=C/c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)N2C(C)C)cc1 ZINC000408910983 560653273 /nfs/dbraw/zinc/65/32/73/560653273.db2.gz IJGWKHGXKXRSTM-AUCMGLCLSA-N 0 0 415.902 5.569 40 30 HKEBRN Cc1ccc(/N=C2\S/C(=C/c3ccc(C(C)C)cc3)C(=O)N2C2CCCCC2)cc1 ZINC000408911025 558731110 /nfs/dbraw/zinc/73/11/10/558731110.db2.gz IOQRKACBPOYBBI-UINIZAEWSA-N 0 0 418.606 7.055 40 30 HKEBRN CCN1C(=O)/C(=C\c2cc(C(C)C)c(OC)cc2C)S/C1=N\c1cc(C)ccc1C ZINC000408911109 558731300 /nfs/dbraw/zinc/73/13/00/558731300.db2.gz YOSAWGDGCVPILN-WRIATZMJSA-N 0 0 422.594 6.368 40 30 HKEBRN COc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C3CCCCC3)C2=O)ccc1C ZINC000408911140 560653261 /nfs/dbraw/zinc/65/32/61/560653261.db2.gz JAGHHRHOVBPLSF-OQNHBUHUSA-N 0 0 420.578 6.249 40 30 HKEBRN CCOc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C(C)C)C2=O)cc1OCC ZINC000408911151 560653254 /nfs/dbraw/zinc/65/32/54/560653254.db2.gz JBEOWCQBVNDZRI-LBMUFILHSA-N 0 0 424.566 5.805 40 30 HKEBRN 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HKEBRN C=CCOc1c(/C=C2/S/C(=N\c3ccc(C)cc3)N(C(C)C)C2=O)cccc1OC ZINC000408911502 560653351 /nfs/dbraw/zinc/65/33/51/560653351.db2.gz JVGAICUSMFQADC-LPCFMYKTSA-N 0 0 422.550 5.581 40 30 HKEBRN CC[C@@H](C)N1C(=O)/C(=C\c2ccc(Cl)cc2Cl)S/C1=N\c1ccc(C)cc1 ZINC000408911609 560653309 /nfs/dbraw/zinc/65/33/09/560653309.db2.gz KKBXMBMUCNJEES-IUVRJIPTSA-N 0 0 419.377 6.704 40 30 HKEBRN CC[C@H](C)N1C(=O)/C(=C\c2ccc(Cl)cc2Cl)S/C1=N\c1ccc(C)cc1 ZINC000408911611 560653353 /nfs/dbraw/zinc/65/33/53/560653353.db2.gz KKBXMBMUCNJEES-QJXUHGPASA-N 0 0 419.377 6.704 40 30 HKEBRN CCCCN1C(=O)/C(=C\c2cccc(OC)c2OCC)S/C1=N\c1ccc(C)cc1 ZINC000408911614 560653331 /nfs/dbraw/zinc/65/33/31/560653331.db2.gz KLDRHKFUQYRSTI-RAFWRMIMSA-N 0 0 424.566 5.806 40 30 HKEBRN COc1cccc(/N=C/c2cc(Br)c(Sc3ccc(C)cc3)o2)c1 ZINC000408911641 560653348 /nfs/dbraw/zinc/65/33/48/560653348.db2.gz AQJPTJHROLVCEE-CIAFOILYSA-N 0 0 402.313 6.261 40 30 HKEBRN Cc1ccc(Sc2oc(CN=Nc3nc(C)cc(C)n3)cc2Br)cc1 ZINC000408911647 558733117 /nfs/dbraw/zinc/73/31/17/558733117.db2.gz AWNWGSAJZRSVFQ-JMIUGGIZSA-N 0 0 417.332 5.355 40 30 HKEBRN CCOc1ccccc1/C=C1/S/C(=N\c2ccccc2)N(Cc2ccccc2)C1=O ZINC000408911678 560653346 /nfs/dbraw/zinc/65/33/46/560653346.db2.gz NSCAHXYMSYXANA-OBUXZSPNSA-N 0 0 414.530 5.890 40 30 HKEBRN O=C1/C(=C\c2cccc([N+](=O)[O-])c2)S/C(=N\c2ccccc2)N1Cc1ccccc1 ZINC000408911735 560653312 /nfs/dbraw/zinc/65/33/12/560653312.db2.gz OFYICUPBURGLKH-NVZLDUMVSA-N 0 0 415.474 5.399 40 30 HKEBRN Cc1ccc(Sc2oc(/C=N\c3cc(C)ccc3C)cc2Br)cc1 ZINC000408911785 560653359 /nfs/dbraw/zinc/65/33/59/560653359.db2.gz DJBGIXAMUBJVAD-UUYOSTAYSA-N 0 0 400.341 6.869 40 30 HKEBRN CCOc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C)C2=O)ccc1OCC(C)C ZINC000408911789 560653341 /nfs/dbraw/zinc/65/33/41/560653341.db2.gz OJYYZRKPOBMHRW-QMSJJHEMSA-N 0 0 424.566 5.662 40 30 HKEBRN CCn1cc(/C=C2/S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)c2ccccc21 ZINC000408911796 560653338 /nfs/dbraw/zinc/65/33/38/560653338.db2.gz KQMIECMDWXXQGJ-UINIZAEWSA-N 0 0 423.541 6.470 40 30 HKEBRN CCOc1c(/C=C2/S/C(=N\c3cc(C)ccc3C)N(CC)C2=O)cccc1OC ZINC000408911845 558733361 /nfs/dbraw/zinc/73/33/61/558733361.db2.gz OQCYYJAVOKECIC-ZSICUCBDSA-N 0 0 410.539 5.335 40 30 HKEBRN CCCN1C(=O)/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)S/C1=N\c1ccc(C)cc1 ZINC000408911975 560653339 /nfs/dbraw/zinc/65/33/39/560653339.db2.gz LJFBNEPPUSCQPY-FTIPTLOASA-N 0 0 415.902 5.571 40 30 HKEBRN Cc1ccc(Sc2oc(/C=N/c3ccc(C(C)C)cc3)cc2Br)cc1 ZINC000408912005 560653358 /nfs/dbraw/zinc/65/33/58/560653358.db2.gz PKMFIIWCYDRTFM-YDZHTSKRSA-N 0 0 414.368 7.376 40 30 HKEBRN CCc1ccccc1/N=C1\S/C(=C/c2cccc(OC)c2)C(=O)N1C1CCCCC1 ZINC000408912014 558733255 /nfs/dbraw/zinc/73/32/55/558733255.db2.gz LPGOBLIRFNNOCJ-OBUXZSPNSA-N 0 0 420.578 6.194 40 30 HKEBRN CCOC(=O)c1ccc(/C=C2/S/C(=N\c3ccccc3CC)N(CC)C2=O)cc1 ZINC000408912063 558733327 /nfs/dbraw/zinc/73/33/27/558733327.db2.gz KSBHMLKWIJILMJ-MIIQOVFOSA-N 0 0 408.523 5.050 40 30 HKEBRN C=CCOc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(CCCC)C2=O)cc1 ZINC000408912075 558733286 /nfs/dbraw/zinc/73/32/86/558733286.db2.gz KUXMRUMHHRHUOD-AIQBXGKYSA-N 0 0 406.551 5.964 40 30 HKEBRN CCCCN1C(=O)/C(=C\c2cc(Cl)ccc2O)S/C1=N\c1ccc(C)cc1 ZINC000408912092 560652556 /nfs/dbraw/zinc/65/25/56/560652556.db2.gz KYRJRTXVLLTNHF-DNLCFCFBSA-N 0 0 400.931 5.758 40 30 HKEBRN CC[C@H](C)N1C(=O)/C(=C\c2ccccc2OCC(C)C)S/C1=N\c1ccc(C)cc1 ZINC000408912120 558733585 /nfs/dbraw/zinc/73/35/85/558733585.db2.gz LVAZOCXLSRAERX-GUXVSJRNSA-N 0 0 422.594 6.432 40 30 HKEBRN CC[C@@H](C)N1C(=O)/C(=C\c2ccccc2OCC(C)C)S/C1=N\c1ccc(C)cc1 ZINC000408912121 560652525 /nfs/dbraw/zinc/65/25/25/560652525.db2.gz LVAZOCXLSRAERX-PCPGVWIYSA-N 0 0 422.594 6.432 40 30 HKEBRN CCN1C(=O)/C(=C\c2cccc(OC)c2OCC(C)C)S/C1=N\c1ccc(C)cc1 ZINC000408912171 558733593 /nfs/dbraw/zinc/73/35/93/558733593.db2.gz MEHQIILJXUZTRR-MDIFQPDJSA-N 0 0 424.566 5.662 40 30 HKEBRN Cc1ccc(/N=C2\S/C(=C/c3ccc(Cl)cc3)C(=O)N2Cc2ccccc2)cc1 ZINC000408912287 558733545 /nfs/dbraw/zinc/73/35/45/558733545.db2.gz MVRGHDKOXMZTRF-GCXIQGEKSA-N 0 0 418.949 6.453 40 30 HKEBRN CCCCN1C(=O)/C(=C\c2ccc(OC)c(OCC)c2)S/C1=N\c1ccc(C)cc1 ZINC000408912372 560652547 /nfs/dbraw/zinc/65/25/47/560652547.db2.gz NGZJTZKBKHOOSK-FTJNEJEMSA-N 0 0 424.566 5.806 40 30 HKEBRN CCN1C(=O)/C(=C\c2c(OC)ccc3ccccc32)S/C1=N\c1c(C)cccc1C ZINC000408912381 560652523 /nfs/dbraw/zinc/65/25/23/560652523.db2.gz QBLZHIPIOQEWDD-JUMVDPBBSA-N 0 0 416.546 6.089 40 30 HKEBRN CC(C)N1C(=O)/C(=C\c2ccc(-c3ccc(F)cc3)o2)S/C1=N\c1ccccc1 ZINC000408912424 560652524 /nfs/dbraw/zinc/65/25/24/560652524.db2.gz QHIARCQDSIJOMP-LISDSOCTSA-N 0 0 406.482 6.098 40 30 HKEBRN CCCN1C(=O)/C(=C\c2c(OCC)ccc3ccccc32)S/C1=N\c1ccccc1 ZINC000408912438 560652549 /nfs/dbraw/zinc/65/25/49/560652549.db2.gz QKGHUIJQBMIRGU-OBUXZSPNSA-N 0 0 416.546 6.253 40 30 HKEBRN O=C1c2ccccc2C(=O)C1=Cc1c(OCc2ccccc2Cl)ccc2ccccc21 ZINC000408912497 558733757 /nfs/dbraw/zinc/73/37/57/558733757.db2.gz HIUCQQKODJSPQX-UHFFFAOYSA-N 0 0 424.883 6.535 40 30 HKEBRN CCOC(=O)c1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(CC(C)C)C2=O)cc1 ZINC000408912542 560652541 /nfs/dbraw/zinc/65/25/41/560652541.db2.gz NPBVLJRXXWUWRG-MDIFQPDJSA-N 0 0 422.550 5.432 40 30 HKEBRN CCc1ccccc1/N=C1\S/C(=C/c2c(OC)ccc3ccccc32)C(=O)N1CC ZINC000408912561 558733729 /nfs/dbraw/zinc/73/37/29/558733729.db2.gz NVYHVHFUDVVDTL-OQNHBUHUSA-N 0 0 416.546 6.035 40 30 HKEBRN O=[N+]([O-])c1ccc(NN=Cc2c(OCc3ccc(F)cc3)ccc3ccccc32)cc1 ZINC000408912572 558733697 /nfs/dbraw/zinc/73/36/97/558733697.db2.gz QZTHJAIBOGWAPN-YSMPRRRNSA-N 0 0 415.424 5.912 40 30 HKEBRN CCN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)S/C1=N\c1ccc(C)cc1 ZINC000408912635 560652530 /nfs/dbraw/zinc/65/25/30/560652530.db2.gz OHEWQKPNOMKBMQ-LISDSOCTSA-N 0 0 422.937 6.532 40 30 HKEBRN CCc1ccccc1/N=C1\S/C(=C/C=C/c2ccccc2)C(=O)N1C1CCCCC1 ZINC000408912639 558732201 /nfs/dbraw/zinc/73/22/01/558732201.db2.gz OHLDUPAMPVJUQB-MXEURWARSA-N 0 0 416.590 6.742 40 30 HKEBRN COc1ccc2ccccc2c1/C=C1/S/C(=N\c2ccccc2)N(C(C)C)C1=O ZINC000408912644 558732078 /nfs/dbraw/zinc/73/20/78/558732078.db2.gz QOLXIMBYRPJFRX-LBMUFILHSA-N 0 0 402.519 5.861 40 30 HKEBRN CCc1ccccc1/N=C1\S/C(=C/c2ccc(OCC(C)C)c(OC)c2)C(=O)N1C ZINC000408912669 558732472 /nfs/dbraw/zinc/73/24/72/558732472.db2.gz OKAKZTNWJNHESJ-QMSJJHEMSA-N 0 0 424.566 5.526 40 30 HKEBRN CC(C)Oc1ccccc1/C=N\c1sc2c(c1C(=O)Nc1ccccc1)CCCC2 ZINC000408912675 560652566 /nfs/dbraw/zinc/65/25/66/560652566.db2.gz LKCUTCFOOJRBOI-QQXSKIMKSA-N 0 0 418.562 6.417 40 30 HKEBRN Cc1ccc(/N=C2\S/C(=C/c3cc(Cl)ccc3O)C(=O)N2CC(C)C)cc1 ZINC000408912677 560652551 /nfs/dbraw/zinc/65/25/51/560652551.db2.gz LKOKTBVNHXYWFH-ZHUAHHRVSA-N 0 0 400.931 5.614 40 30 HKEBRN CCc1ccccc1/N=C1\S/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)C(=O)N1C ZINC000408912685 560652548 /nfs/dbraw/zinc/65/25/48/560652548.db2.gz LMKYCPFVURSUGY-SMSCYPBYSA-N 0 0 401.875 5.044 40 30 HKEBRN C#CCOc1cccc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)c1 ZINC000408912690 560652648 /nfs/dbraw/zinc/65/26/48/560652648.db2.gz LOHQXFRNZKCJIY-ONUIUJJFSA-N 0 0 414.530 5.642 40 30 HKEBRN Clc1ccc(-c2ccc(/C=N/c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)o2)cc1 ZINC000408912813 560652687 /nfs/dbraw/zinc/65/26/87/560652687.db2.gz SDINXZWCKHSKKG-STBIYBPSSA-N 0 0 415.964 7.818 40 30 HKEBRN Cc1ccc(/N=C2\S/C(=C/C=C/c3ccccc3)C(=O)N2c2ccc(C)cc2)cc1 ZINC000408912828 560652645 /nfs/dbraw/zinc/65/26/45/560652645.db2.gz LXLDSWYNCKCTOY-JKILBQTJSA-N 0 0 410.542 6.668 40 30 HKEBRN CCc1ccccc1/N=C1\S/C(=C/c2ccc(Br)cc2)C(=O)N1CC ZINC000408912833 558732382 /nfs/dbraw/zinc/73/23/82/558732382.db2.gz LYMXHGONMXXJLT-PVTBXJRFSA-N 0 0 415.356 5.635 40 30 HKEBRN COc1ccc(/C=C2/S/C(=N\c3ccccc3)N(Cc3ccccc3)C2=O)cc1C ZINC000408912847 560652627 /nfs/dbraw/zinc/65/26/27/560652627.db2.gz RQVVOAXGHGUIJL-OQNHBUHUSA-N 0 0 414.530 5.808 40 30 HKEBRN CCCN1C(=O)/C(=C\c2cccc(Br)c2)S/C1=N\c1ccc(C)cc1 ZINC000408912868 560652635 /nfs/dbraw/zinc/65/26/35/560652635.db2.gz LZWLZVFSZUGRCW-PVTBXJRFSA-N 0 0 415.356 5.772 40 30 HKEBRN N#CCOc1ccc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)cc1 ZINC000408912899 560652638 /nfs/dbraw/zinc/65/26/38/560652638.db2.gz MCVFNNIRRYYSAV-QQXSKIMKSA-N 0 0 415.518 5.532 40 30 HKEBRN CCCCN1C(=O)/C(=C\c2ccc(C(=O)OCC)cc2)S/C1=N\c1ccc(C)cc1 ZINC000408912912 558732407 /nfs/dbraw/zinc/73/24/07/558732407.db2.gz OQGMMLMDZDCADW-RAFWRMIMSA-N 0 0 422.550 5.576 40 30 HKEBRN Cc1ccc(/N=C2\S/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C(=O)N2C)cc1 ZINC000408912913 558732469 /nfs/dbraw/zinc/73/24/69/558732469.db2.gz RWHIUROSWVWQGC-DYEBMTOPSA-N 0 0 419.462 5.397 40 30 HKEBRN CCCCN1C(=O)/C(=C\c2cc(OC)ccc2OC)S/C1=N\c1ccc(C)cc1 ZINC000408912919 558732594 /nfs/dbraw/zinc/73/25/94/558732594.db2.gz MDPJBPPCZLURGO-NVZLDUMVSA-N 0 0 410.539 5.416 40 30 HKEBRN CCn1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C(C)C)C2=O)c2ccccc21 ZINC000408912922 560652633 /nfs/dbraw/zinc/65/26/33/560652633.db2.gz MEENXVVZWLMNPS-QMSJJHEMSA-N 0 0 403.551 5.982 40 30 HKEBRN Cc1ccc(/N=C2\S/C(=C/c3ccccc3O)C(=O)N2Cc2ccccc2)cc1 ZINC000408912923 560652657 /nfs/dbraw/zinc/65/26/57/560652657.db2.gz MEGCODIKYSELHC-LBMUFILHSA-N 0 0 400.503 5.505 40 30 HKEBRN COC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccc4c(c3)OCO4)c2C)cc1Cl ZINC000408912939 560653064 /nfs/dbraw/zinc/65/30/64/560653064.db2.gz ILHWTXSTJZKYNI-BHGWPJFGSA-N 0 0 410.857 5.013 40 30 HKEBRN CCCN1C(=O)/C(=C\c2ccc(OCC(C)C)cc2)S/C1=N\c1ccc(C)cc1 ZINC000408912945 558732590 /nfs/dbraw/zinc/73/25/90/558732590.db2.gz MHAWMWDQECMSLW-LBMUFILHSA-N 0 0 408.567 6.044 40 30 HKEBRN C=CCn1cc(/C=C2/S/C(=N\c3ccccc3CC)N(CC)C2=O)c2ccccc21 ZINC000408912953 558732660 /nfs/dbraw/zinc/73/26/60/558732660.db2.gz OTZFGKPUSUJHOF-OQNHBUHUSA-N 0 0 415.562 6.014 40 30 HKEBRN CCOc1cccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C3CCCCC3)C2=O)c1 ZINC000408912964 560652737 /nfs/dbraw/zinc/65/27/37/560652737.db2.gz OUGGWVPRSQNFRH-OBUXZSPNSA-N 0 0 420.578 6.330 40 30 HKEBRN CCOc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N([C@H](C)CC)C2=O)cc1OC ZINC000408912972 558732586 /nfs/dbraw/zinc/73/25/86/558732586.db2.gz OUOQQRJZYUIUQA-MYIPWOCFSA-N 0 0 424.566 5.805 40 30 HKEBRN CCOc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N([C@@H](C)CC)C2=O)cc1OC ZINC000408912974 558732650 /nfs/dbraw/zinc/73/26/50/558732650.db2.gz OUOQQRJZYUIUQA-NRYATJGXSA-N 0 0 424.566 5.805 40 30 HKEBRN CCOC(=O)c1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N([C@@H](C)CC)C2=O)cc1 ZINC000408913005 558732633 /nfs/dbraw/zinc/73/26/33/558732633.db2.gz OYDVVKHPEDNKAP-IHPQQEBXSA-N 0 0 422.550 5.574 40 30 HKEBRN CCOC(=O)c1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N([C@H](C)CC)C2=O)cc1 ZINC000408913006 560652971 /nfs/dbraw/zinc/65/29/71/560652971.db2.gz OYDVVKHPEDNKAP-KCKSVOGJSA-N 0 0 422.550 5.574 40 30 HKEBRN Cc1ccc(/N=C2\S/C(=C/c3ccccc3Cl)C(=O)N2Cc2ccccc2)cc1 ZINC000408913018 560653094 /nfs/dbraw/zinc/65/30/94/560653094.db2.gz PBEOUCLIPUWQEC-GCXIQGEKSA-N 0 0 418.949 6.453 40 30 HKEBRN C=CCOc1c(/C=C2/S/C(=N\c3ccccc3CC)N(CC)C2=O)cccc1OC ZINC000408913037 558732567 /nfs/dbraw/zinc/73/25/67/558732567.db2.gz PFUDCYWQMGUNHB-RAFWRMIMSA-N 0 0 422.550 5.446 40 30 HKEBRN Cc1ccc(Sc2oc(/C=N/c3cccc(Cl)c3)cc2Br)cc1 ZINC000408913059 558732639 /nfs/dbraw/zinc/73/26/39/558732639.db2.gz KFQSTBMMIUWYNH-SRZZPIQSSA-N 0 0 406.732 6.906 40 30 HKEBRN COc1ccccc1/N=C/c1cc(Br)c(Sc2ccc(C)cc2)o1 ZINC000408913068 558732656 /nfs/dbraw/zinc/73/26/56/558732656.db2.gz KMDKEZZMIGQBBP-CIAFOILYSA-N 0 0 402.313 6.261 40 30 HKEBRN CCOc1cc(C=C2C(=O)c3ccccc3C2=O)ccc1OCc1ccccc1F ZINC000408913088 560653538 /nfs/dbraw/zinc/65/35/38/560653538.db2.gz SKTVAQRZRVBWDM-UHFFFAOYSA-N 0 0 402.421 5.266 40 30 HKEBRN C=CCc1cc(C=NNc2ccc([N+](=O)[O-])cc2)cc(OC)c1OCc1ccccc1 ZINC000408913101 558732618 /nfs/dbraw/zinc/73/26/18/558732618.db2.gz SMGIJPYGCIBRCV-XYGWBWBKSA-N 0 0 417.465 5.357 40 30 HKEBRN O=C1c2ccccc2C(=O)C1=Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 ZINC000408913191 560653549 /nfs/dbraw/zinc/65/35/49/560653549.db2.gz UBQRWPUIJIXAHK-UHFFFAOYSA-N 0 0 409.268 6.035 40 30 HKEBRN Cc1c(C=NNc2ccc([N+](=O)[O-])cc2)c2ccccc2n1Cc1ccccc1F ZINC000408913207 558732570 /nfs/dbraw/zinc/73/25/70/558732570.db2.gz UDEVIVARGJBMKZ-QFEZKATASA-N 0 0 402.429 5.491 40 30 HKEBRN O=C1/C(=C\c2c[nH]c3ccccc23)S/C(=N\c2ccccc2)N1CCc1ccccc1 ZINC000408913217 560652680 /nfs/dbraw/zinc/65/26/80/560652680.db2.gz SDTUQJBTHPPVOX-PIDRKRQWSA-N 0 0 423.541 6.015 40 30 HKEBRN CCN1C(=O)/C(=C\c2cc(Cl)ccc2OC)S/C1=N\c1c(C)cccc1C ZINC000408913272 558732914 /nfs/dbraw/zinc/73/29/14/558732914.db2.gz SLZLNTQYMQVKSG-HPJGCCTDSA-N 0 0 400.931 5.589 40 30 HKEBRN CCN1C(=O)/C(=C\c2cc(Br)ccc2O)S/C1=N\c1ccc(C)cc1 ZINC000408913281 560653546 /nfs/dbraw/zinc/65/35/46/560653546.db2.gz SNLUUZUOSVHCSA-SMSCYPBYSA-N 0 0 417.328 5.087 40 30 HKEBRN Cc1ccc(/N=C2\S/C(=C/C=C/c3ccccc3)C(=O)N2CCc2ccccc2)cc1 ZINC000408913296 560653535 /nfs/dbraw/zinc/65/35/35/560653535.db2.gz PVRNKSIHSBJMRG-AJNWXCSWSA-N 0 0 424.569 6.398 40 30 HKEBRN Cc1ccc(/N=C2\S/C(=C/c3ccc([N+](=O)[O-])cc3)C(=O)N2C2CCCCC2)cc1 ZINC000408913316 558732418 /nfs/dbraw/zinc/73/24/18/558732418.db2.gz PYPPDMITXDSFIN-NVZLDUMVSA-N 0 0 421.522 5.840 40 30 HKEBRN CCN1C(=O)/C(=C\c2cc(Cl)ccc2OC)S/C1=N\c1cc(C)ccc1C ZINC000408913338 558733384 /nfs/dbraw/zinc/73/33/84/558733384.db2.gz SWXJXZHRVXXVSZ-CRUFNBOHSA-N 0 0 400.931 5.589 40 30 HKEBRN CCN1C(=O)/C(=C\c2ccc(-c3ccc(F)cc3)o2)S/C1=N\c1c(C)cccc1C ZINC000408913340 558733320 /nfs/dbraw/zinc/73/33/20/558733320.db2.gz SWYRABVYYNIJTN-QPVYCHHJSA-N 0 0 420.509 6.326 40 30 HKEBRN COc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C3CCCCC3)C2=O)cc1C ZINC000408913351 560653518 /nfs/dbraw/zinc/65/35/18/560653518.db2.gz QCSIPBQLDLKVMR-OQNHBUHUSA-N 0 0 420.578 6.249 40 30 HKEBRN CCCCN1C(=O)/C(=C\c2ccc(OCC)c(OC)c2)S/C1=N\c1ccc(C)cc1 ZINC000408913357 558733744 /nfs/dbraw/zinc/73/37/44/558733744.db2.gz QDTOUCPGVYTWPB-FTJNEJEMSA-N 0 0 424.566 5.806 40 30 HKEBRN CCc1ccccc1/N=C1\S/C(=C/c2ccccc2Cl)C(=O)N1C1CCCCC1 ZINC000408913403 558733673 /nfs/dbraw/zinc/73/36/73/558733673.db2.gz QOLJPCIXIIUAFA-IPLYMLRXSA-N 0 0 424.997 6.839 40 30 HKEBRN CCCCN1C(=O)/C(=C\c2ccccc2OCC(C)C)S/C1=N\c1ccc(C)cc1 ZINC000408913421 558733953 /nfs/dbraw/zinc/73/39/53/558733953.db2.gz QTCJBMGWMQZWMM-OQNHBUHUSA-N 0 0 422.594 6.434 40 30 HKEBRN Cc1ccc(Sc2oc(/C=N\c3cccc([N+](=O)[O-])c3)cc2Br)cc1 ZINC000408913432 558734038 /nfs/dbraw/zinc/73/40/38/558734038.db2.gz UKRZYRWJEYBDGL-JAIQZWGSSA-N 0 0 417.284 6.161 40 30 HKEBRN CCc1ccccc1/N=C/c1cc(Br)c(Sc2ccc(C)cc2)o1 ZINC000408913453 560653671 /nfs/dbraw/zinc/65/36/71/560653671.db2.gz UUIFHFOVFYIUSS-LPYMAVHISA-N 0 0 400.341 6.815 40 30 HKEBRN COc1cccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C3CCCCC3)C2=O)c1 ZINC000408913524 560653656 /nfs/dbraw/zinc/65/36/56/560653656.db2.gz MUVWZAXYRJEDCG-FTJNEJEMSA-N 0 0 406.551 5.940 40 30 HKEBRN Cc1ccc(/N=C2\S/C(=C/c3ccccc3Cl)C(=O)N2C2CCCCC2)cc1 ZINC000408913527 558734041 /nfs/dbraw/zinc/73/40/41/558734041.db2.gz MVRYJOGTOCGRES-DBSKITMISA-N 0 0 410.970 6.585 40 30 HKEBRN Cc1ccc(Sc2oc(/C=N/c3ccc(F)c(Cl)c3)cc2Br)cc1 ZINC000408913531 558733960 /nfs/dbraw/zinc/73/39/60/558733960.db2.gz LPGRJMBBFBBMSO-LSHDLFTRSA-N 0 0 424.722 7.045 40 30 HKEBRN CC(=O)c1cccc(-c2ccc(C=Nc3ccc(C45CC6CC(CC(C6)C4)C5)cc3)o2)c1 ZINC000408913565 560653694 /nfs/dbraw/zinc/65/36/94/560653694.db2.gz LWFZRKRBFLERCK-UXHLAJHPSA-N 0 0 423.556 7.368 40 30 HKEBRN O=C1c2ccccc2C(=O)C1=Cc1ccc(-c2cc([N+](=O)[O-])c(Cl)cc2Cl)o1 ZINC000408913574 560653653 /nfs/dbraw/zinc/65/36/53/560653653.db2.gz MALDPFKIDUUYEL-UHFFFAOYSA-N 0 0 414.200 5.624 40 30 HKEBRN Cc1ccc(Sc2oc(/C=N/c3cc(Cl)ccc3C)cc2Br)cc1 ZINC000408913577 558733991 /nfs/dbraw/zinc/73/39/91/558733991.db2.gz MBSSKAASMKOMER-SSDVNMTOSA-N 0 0 420.759 7.214 40 30 HKEBRN O=C1c2ccccc2C(=O)C1=Cc1cn(Cc2ccc3ccccc3c2)c2ccccc12 ZINC000408913630 560653678 /nfs/dbraw/zinc/65/36/78/560653678.db2.gz VTGROVJUDJXWNC-UHFFFAOYSA-N 0 0 413.476 6.305 40 30 HKEBRN CCCCN1C(=O)/C(=C\c2ccc(OCC(C)C)cc2)S/C1=N\c1ccc(C)cc1 ZINC000408913643 558733922 /nfs/dbraw/zinc/73/39/22/558733922.db2.gz QYVUXDGPVPUDNB-OQNHBUHUSA-N 0 0 422.594 6.434 40 30 HKEBRN CCOc1c(/C=C2/S/C(=N\c3ccc(C)cc3)N(CC(C)C)C2=O)cccc1OC ZINC000408913675 558733999 /nfs/dbraw/zinc/73/39/99/558733999.db2.gz RDMYJFXTKCQTFM-MDIFQPDJSA-N 0 0 424.566 5.662 40 30 HKEBRN Cc1ccc(/N=C2\S/C(=C/c3ccc(C)c([N+](=O)[O-])c3)C(=O)N2CC(C)C)cc1 ZINC000408913690 558734009 /nfs/dbraw/zinc/73/40/09/558734009.db2.gz NIOLEVHZJYMHCG-NNSJDREZSA-N 0 0 409.511 5.472 40 30 HKEBRN CCc1ccccc1/N=C1\S/C(=C/c2ccc(Cl)cc2)C(=O)N1C1CCCCC1 ZINC000408913700 560653634 /nfs/dbraw/zinc/65/36/34/560653634.db2.gz RIKCEEKEAVBTRX-IPLYMLRXSA-N 0 0 424.997 6.839 40 30 HKEBRN COc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C3CCCCC3)C2=O)ccc1O ZINC000408913761 560653709 /nfs/dbraw/zinc/65/37/09/560653709.db2.gz RLKCXTRPCSRHLL-LBMUFILHSA-N 0 0 422.550 5.646 40 30 HKEBRN COc1cccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C)C2=O)c1OCC(C)C ZINC000408913786 558734195 /nfs/dbraw/zinc/73/41/95/558734195.db2.gz NMDWAOXKVDZSIO-PGBYLALNSA-N 0 0 410.539 5.272 40 30 HKEBRN CCCCN1C(=O)/C(=C\c2ccc(OC)cc2OC)S/C1=N\c1ccc(C)cc1 ZINC000408913792 558734220 /nfs/dbraw/zinc/73/42/20/558734220.db2.gz NMWFCLYVXJYKOR-NFEGURHZSA-N 0 0 410.539 5.416 40 30 HKEBRN CCCN1C(=O)/C(=C\c2ccc(OC(C)C)c(OC)c2)S/C1=N\c1ccc(C)cc1 ZINC000408913812 558734156 /nfs/dbraw/zinc/73/41/56/558734156.db2.gz RONVBOOCIDWECP-LBMUFILHSA-N 0 0 424.566 5.805 40 30 HKEBRN C=CCc1cc(C=C2C(=O)c3ccccc3C2=O)cc(OC)c1OCc1ccc(C)cc1 ZINC000408913816 560653711 /nfs/dbraw/zinc/65/37/11/560653711.db2.gz NYOPGAINXGDNAD-UHFFFAOYSA-N 0 0 424.496 5.774 40 30 HKEBRN Cc1ccc(Sc2oc(/C=N\c3ccc([N+](=O)[O-])cc3)cc2Br)cc1 ZINC000408913830 558734213 /nfs/dbraw/zinc/73/42/13/558734213.db2.gz NZQDZKQZXYYYCP-JAIQZWGSSA-N 0 0 417.284 6.161 40 30 HKEBRN CCOc1ccc(/C=C2/S/C(=N\c3ccccc3CC)N(CC)C2=O)cc1OCC ZINC000408913856 560653702 /nfs/dbraw/zinc/65/37/02/560653702.db2.gz RVQRYLSZQFLEBV-FTJNEJEMSA-N 0 0 424.566 5.670 40 30 HKEBRN COc1ccc(/C=C2/S/C(=N\c3ccccc3)N(C(C)C)C2=O)c2ccccc12 ZINC000408913867 558734160 /nfs/dbraw/zinc/73/41/60/558734160.db2.gz UPMVOOHCRFVJGS-LBMUFILHSA-N 0 0 402.519 5.861 40 30 HKEBRN CCN1C(=O)/C(=C\c2cccc3ccccc23)S/C1=N\c1ccc(C(=O)OC)cc1 ZINC000408913876 558734232 /nfs/dbraw/zinc/73/42/32/558734232.db2.gz UVTQRWLBYVTDAG-LPCFMYKTSA-N 0 0 416.502 5.250 40 30 HKEBRN CCCN1C(=O)/C(=C\c2c(OC)ccc3ccccc32)S/C1=N\c1ccccc1 ZINC000408913877 560653700 /nfs/dbraw/zinc/65/37/00/560653700.db2.gz UVXIHPNUVAEDME-FTJNEJEMSA-N 0 0 402.519 5.862 40 30 HKEBRN Cc1cc(C=C2C(=O)c3ccccc3C2=O)c(C)n1-c1ccccc1Br ZINC000408913899 558734224 /nfs/dbraw/zinc/73/42/24/558734224.db2.gz VXNKKZZBKZJURQ-UHFFFAOYSA-N 0 0 406.279 5.319 40 30 HKEBRN CCCN1C(=O)/C(=C\c2ccc(-c3ccc(F)cc3)o2)S/C1=N\c1ccccc1 ZINC000408913905 560653641 /nfs/dbraw/zinc/65/36/41/560653641.db2.gz VBXZTCVTNXDTMX-DBSKITMISA-N 0 0 406.482 6.100 40 30 HKEBRN CCOc1ccc(/C=C2/S/C(=N\c3ccccc3)N(C(C)C)C2=O)c2ccccc12 ZINC000408913930 558734170 /nfs/dbraw/zinc/73/41/70/558734170.db2.gz VHHMQDBDUFWVGQ-OQNHBUHUSA-N 0 0 416.546 6.251 40 30 HKEBRN O=C1/C(=C\C=C\c2ccccc2)S/C(=N\c2ccccc2)N1CCc1ccccc1 ZINC000408913932 560653682 /nfs/dbraw/zinc/65/36/82/560653682.db2.gz VHHXQVASSAJGDV-YEAKBBJFSA-N 0 0 410.542 6.090 40 30 HKEBRN Cc1cccc(COc2ccc3ccccc3c2C=NNc2ccc([N+](=O)[O-])cc2)c1 ZINC000408913972 560653804 /nfs/dbraw/zinc/65/38/04/560653804.db2.gz WOWLYIPUPWXVPC-QQXSKIMKSA-N 0 0 411.461 6.081 40 30 HKEBRN CSc1ccccc1/N=C/c1cc(Br)c(Sc2ccc(C)cc2)o1 ZINC000408913978 558734181 /nfs/dbraw/zinc/73/41/81/558734181.db2.gz WQPCCDQSVZAYOW-CIAFOILYSA-N 0 0 418.381 6.974 40 30 HKEBRN COc1cc(C=C2C(=O)c3ccccc3C2=O)cc(Cl)c1OCc1ccc(C)cc1 ZINC000408914011 560653800 /nfs/dbraw/zinc/65/38/00/560653800.db2.gz WZGGGVKCWKVJRP-UHFFFAOYSA-N 0 0 418.876 5.699 40 30 HKEBRN CCc1ccccc1/N=C1\S/C(=C/c2ccc(OC(C)C)c(OC)c2)C(=O)N1CC ZINC000408914012 560653744 /nfs/dbraw/zinc/65/37/44/560653744.db2.gz SADNUCLYXTYRBI-LBMUFILHSA-N 0 0 424.566 5.669 40 30 HKEBRN Cc1cc(C=NNc2ccc([N+](=O)[O-])cc2)c(C)n1-c1cccc(Br)c1 ZINC000408914023 558734162 /nfs/dbraw/zinc/73/41/62/558734162.db2.gz XBCSFYZHLSHRDA-MTJSOVHGSA-N 0 0 413.275 5.211 40 30 HKEBRN CCc1ccccc1/N=C1\S/C(=C/c2cc(Cl)c(O)c(OC)c2)C(=O)N1CC ZINC000408914058 560653809 /nfs/dbraw/zinc/65/38/09/560653809.db2.gz SGTDVZLXLSYVTP-HPJGCCTDSA-N 0 0 416.930 5.241 40 30 HKEBRN CCCCN1C(=O)/C(=C\c2cccc(Cl)c2Cl)S/C1=N\c1ccc(C)cc1 ZINC000408914075 558734169 /nfs/dbraw/zinc/73/41/69/558734169.db2.gz SJNHUMGHPGAXRR-BHAWSTHSSA-N 0 0 419.377 6.706 40 30 HKEBRN CCCN1C(=O)/C(=C\c2c(OC)ccc3ccccc32)S/C1=N\c1ccc(C)cc1 ZINC000408914076 558734241 /nfs/dbraw/zinc/73/42/41/558734241.db2.gz SJPIEFRHJUNHSB-OQNHBUHUSA-N 0 0 416.546 6.171 40 30 HKEBRN COc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C3CCCCC3)C2=O)c(C)c1 ZINC000408914092 558734236 /nfs/dbraw/zinc/73/42/36/558734236.db2.gz SOEKEOYFBRXRQZ-OQNHBUHUSA-N 0 0 420.578 6.249 40 30 HKEBRN CCCCN1C(=O)/C(=C\c2ccc(Cl)cc2Cl)S/C1=N\c1ccc(C)cc1 ZINC000408914169 558734201 /nfs/dbraw/zinc/73/42/01/558734201.db2.gz TVRNKUHYYGJRCH-KBEOOMRJSA-N 0 0 419.377 6.706 40 30 HKEBRN CCc1ccccc1/N=C1\S/C(=C/c2c3ccccc3cc3ccccc32)C(=O)N1C ZINC000408914170 558734178 /nfs/dbraw/zinc/73/41/78/558734178.db2.gz TVXJDNXKMYWDSC-FUQOYWQNSA-N 0 0 422.553 6.789 40 30 HKEBRN CCN1C(=O)/C(=C\c2ccc(OC)c3ccccc23)S/C1=N\c1c(C)cccc1C ZINC000408914185 558734257 /nfs/dbraw/zinc/73/42/57/558734257.db2.gz WAZCKBJFBWDFEG-JUMVDPBBSA-N 0 0 416.546 6.089 40 30 HKEBRN Cc1ccc(Sc2oc(/C=N/c3ccc(C)c(C)c3)cc2Br)cc1 ZINC000408914189 560653784 /nfs/dbraw/zinc/65/37/84/560653784.db2.gz OIWQBOLVIXOSSU-WSDLNYQXSA-N 0 0 400.341 6.869 40 30 HKEBRN COc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(CC(C)C)C2=O)c(OC)c1 ZINC000408914249 558734192 /nfs/dbraw/zinc/73/41/92/558734192.db2.gz NPJKHXXGIUBTPW-ZTYBVADTSA-N 0 0 410.539 5.272 40 30 HKEBRN CCOc1ccccc1/C=C1/S/C(=N\c2ccc(C)cc2)N(C2CCCCC2)C1=O ZINC000408914255 558734262 /nfs/dbraw/zinc/73/42/62/558734262.db2.gz UDRBDKMITLEKQX-OBUXZSPNSA-N 0 0 420.578 6.330 40 30 HKEBRN CCCN1C(=O)/C(=C\c2cccc(OC)c2OCC(C)C)S/C1=N\c1ccccc1 ZINC000408914276 560653793 /nfs/dbraw/zinc/65/37/93/560653793.db2.gz UIOTZBAHCPOZKD-LPCFMYKTSA-N 0 0 424.566 5.744 40 30 HKEBRN Cc1ccc(Sc2oc(/C=N\c3ccc4ccccc4c3)cc2Br)cc1 ZINC000408914289 560653780 /nfs/dbraw/zinc/65/37/80/560653780.db2.gz XNLYSOWETPMDAD-OYKKKHCWSA-N 0 0 422.347 7.406 40 30 HKEBRN C#CCOc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N([C@@H](C)CC)C2=O)cc1 ZINC000408914311 560653768 /nfs/dbraw/zinc/65/37/68/560653768.db2.gz NUJFZAZAGTXRPG-FNXXDVGZSA-N 0 0 404.535 5.410 40 30 HKEBRN C#CCOc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N([C@H](C)CC)C2=O)cc1 ZINC000408914315 560653789 /nfs/dbraw/zinc/65/37/89/560653789.db2.gz NUJFZAZAGTXRPG-KDNQEJAHSA-N 0 0 404.535 5.410 40 30 HKEBRN CC[C@@H](C)N1C(=O)/C(=C\c2cc(OC)ccc2OC)S/C1=N\c1ccc(C)cc1 ZINC000408914338 558734404 /nfs/dbraw/zinc/73/44/04/558734404.db2.gz NVPYCOZOSVIOMB-KMCMYJHDSA-N 0 0 410.539 5.415 40 30 HKEBRN CC[C@H](C)N1C(=O)/C(=C\c2cc(OC)ccc2OC)S/C1=N\c1ccc(C)cc1 ZINC000408914341 558734388 /nfs/dbraw/zinc/73/43/88/558734388.db2.gz NVPYCOZOSVIOMB-PZHPEBMISA-N 0 0 410.539 5.415 40 30 HKEBRN Cc1cccc(COc2ccc3ccccc3c2C=C2C(=O)c3ccccc3C2=O)c1 ZINC000408914460 558734485 /nfs/dbraw/zinc/73/44/85/558734485.db2.gz PXTKAFBHWSBEIE-UHFFFAOYSA-N 0 0 404.465 6.190 40 30 HKEBRN CCOc1ccccc1/N=C\c1cc(Br)c(Sc2ccc(C)cc2)o1 ZINC000408914461 560653770 /nfs/dbraw/zinc/65/37/70/560653770.db2.gz XXCVOEUKGWVWMN-XKZIYDEJSA-N 0 0 416.340 6.651 40 30 HKEBRN O=C1c2ccccc2C(=O)C1=Cc1ccc(OCc2ccc(Br)cc2)cc1 ZINC000408914534 558734463 /nfs/dbraw/zinc/73/44/63/558734463.db2.gz YIYFUDODEFSJLP-UHFFFAOYSA-N 0 0 419.274 5.491 40 30 HKEBRN COC(=O)c1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(CC(C)C)C2=O)cc1 ZINC000408914579 560653914 /nfs/dbraw/zinc/65/39/14/560653914.db2.gz OFYBEQIQYXEHMW-PGBYLALNSA-N 0 0 408.523 5.042 40 30 HKEBRN Cc1c(C=NNc2ccc([N+](=O)[O-])cc2)c2ccccc2n1Cc1ccccc1Cl ZINC000408914588 558734474 /nfs/dbraw/zinc/73/44/74/558734474.db2.gz YMTLXZGFAPZDAZ-QFEZKATASA-N 0 0 418.884 6.006 40 30 HKEBRN O=C1/C(=C\c2cccc3ccccc23)S/C(=N\c2ccccc2)N1Cc1ccccc1 ZINC000408914659 558734428 /nfs/dbraw/zinc/73/44/28/558734428.db2.gz WXJVHXMAKIWWJR-AJGXWLHTSA-N 0 0 420.537 6.644 40 30 HKEBRN CCOc1ccc(/C=C2/S/C(=N\c3ccccc3)N(C(C)C)C2=O)cc1OCC ZINC000408914695 560653976 /nfs/dbraw/zinc/65/39/76/560653976.db2.gz XFXFRSJBMDWMEO-NVZLDUMVSA-N 0 0 410.539 5.496 40 30 HKEBRN CCc1ccccc1/N=C1\S/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)C(=O)N1C ZINC000408914712 560653887 /nfs/dbraw/zinc/65/38/87/560653887.db2.gz VVMQBVDRDLCCDE-LISDSOCTSA-N 0 0 422.937 6.396 40 30 HKEBRN Cc1cc(/C=N\c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c(C)n1-c1ccc(C)cc1 ZINC000408914762 560653965 /nfs/dbraw/zinc/65/39/65/560653965.db2.gz YVMKHXVWHLCGOY-DXJNIWACSA-N 0 0 422.616 7.621 40 30 HKEBRN CCN(CC)c1ccc(-n2c(C)cc(C=NNc3ccc([N+](=O)[O-])cc3)c2C)cc1 ZINC000408914806 560653956 /nfs/dbraw/zinc/65/39/56/560653956.db2.gz ZAPWSHVSRANMAU-JLPGSUDCSA-N 0 0 405.502 5.295 40 30 HKEBRN CCCN1C(=O)/C(=C\c2ccc(OCC)c3ccccc23)S/C1=N\c1ccccc1 ZINC000408914824 558734385 /nfs/dbraw/zinc/73/43/85/558734385.db2.gz XYIQWMKLGSHJNG-OBUXZSPNSA-N 0 0 416.546 6.253 40 30 HKEBRN O=[N+]([O-])c1ccc(NN=Cc2cn(Cc3ccc4ccccc4c3)c3ccccc23)cc1 ZINC000408914853 560653971 /nfs/dbraw/zinc/65/39/71/560653971.db2.gz ZFIPWBWLFYXANF-YUMHPJSZSA-N 0 0 420.472 6.197 40 30 HKEBRN CCN1C(=O)/C(=C\c2ccc(-c3ccc(F)cc3)o2)S/C1=N\c1ccc(C)cc1 ZINC000408914858 560653897 /nfs/dbraw/zinc/65/38/97/560653897.db2.gz YFDHYHJEXIXATQ-LISDSOCTSA-N 0 0 406.482 6.018 40 30 HKEBRN O=[N+]([O-])c1ccc(NN=Cc2cn(Cc3cccc4ccccc43)c3ccccc23)cc1 ZINC000408914882 558734493 /nfs/dbraw/zinc/73/44/93/558734493.db2.gz ZJOFSIGCUGCODF-YUMHPJSZSA-N 0 0 420.472 6.197 40 30 HKEBRN Cc1c(C=NNc2ccc([N+](=O)[O-])cc2)c2ccccc2n1Cc1ccc(Cl)cc1 ZINC000408914894 558734415 /nfs/dbraw/zinc/73/44/15/558734415.db2.gz ZMQZCCARYQBWHR-QFEZKATASA-N 0 0 418.884 6.006 40 30 HKEBRN O=[N+]([O-])c1ccc(NN=Cc2cn(Cc3ccc(Cl)cc3)c3ccccc23)cc1 ZINC000408914900 560653944 /nfs/dbraw/zinc/65/39/44/560653944.db2.gz ZPGWKQGYFMNRCV-CFRMEGHHSA-N 0 0 404.857 5.697 40 30 HKEBRN Cc1cc(/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c(C)n1C1CCCCC1 ZINC000408914945 560653937 /nfs/dbraw/zinc/65/39/37/560653937.db2.gz SDWAKYWBZIXPJG-NDZAJKAJSA-N 0 0 414.637 7.829 40 30 HKEBRN O=[N+]([O-])c1ccc(NN=Cc2cc(Cl)c(OCc3ccccc3)c(Cl)c2)cc1 ZINC000408914957 560653963 /nfs/dbraw/zinc/65/39/63/560653963.db2.gz ZYAHGHLVVQVZGJ-FMCGGJTJSA-N 0 0 416.264 5.927 40 30 HKEBRN COc1ccccc1/C=C1/S/C(=N\c2ccc(C)cc2)N(Cc2ccccc2)C1=O ZINC000408914966 560653967 /nfs/dbraw/zinc/65/39/67/560653967.db2.gz OMGWSQSRVLFPNM-OQNHBUHUSA-N 0 0 414.530 5.808 40 30 HKEBRN CCc1ccccc1/N=C1\S/C(=C/c2ccc(-c3ccc(F)cc3)o2)C(=O)N1C ZINC000408914977 560653922 /nfs/dbraw/zinc/65/39/22/560653922.db2.gz OOIGYCWJPHVTBF-LISDSOCTSA-N 0 0 406.482 5.882 40 30 HKEBRN CCc1ccccc1/N=C1\S/C(=C/c2ccc(C)cc2)C(=O)N1C1CCCCC1 ZINC000408914988 560653927 /nfs/dbraw/zinc/65/39/27/560653927.db2.gz OQLSPNLKVQISFZ-OBUXZSPNSA-N 0 0 404.579 6.494 40 30 HKEBRN Cc1ccc(/N=C2\S/C(=C/c3ccc(-c4ccc(F)cc4)o3)C(=O)N2C(C)C)cc1 ZINC000408915008 558734459 /nfs/dbraw/zinc/73/44/59/558734459.db2.gz WOCREIFOEWHITJ-DDOPLPCHSA-N 0 0 420.509 6.407 40 30 HKEBRN Cc1c(C=C2C(=O)c3ccccc3C2=O)c2ccccc2n1Cc1ccc(Cl)cc1 ZINC000408915026 560654014 /nfs/dbraw/zinc/65/40/14/560654014.db2.gz TXZASFMNGXCEKK-UHFFFAOYSA-N 0 0 411.888 6.114 40 30 HKEBRN CCCOc1ccc(/C=C2/S/C(=N\c3ccccc3CC)N(C)C2=O)cc1OCC ZINC000408915031 560654025 /nfs/dbraw/zinc/65/40/25/560654025.db2.gz WPNCICNEMWSXCN-FTJNEJEMSA-N 0 0 424.566 5.670 40 30 HKEBRN Cc1cc(/C=N/c2ccc3c(c2)OCO3)c(C)n1-c1ccc(Br)c(C)c1 ZINC000408915092 560653995 /nfs/dbraw/zinc/65/39/95/560653995.db2.gz UPRQWKRFACNNBN-FOKLQQMPSA-N 0 0 411.299 5.644 40 30 HKEBRN O=C1c2ccccc2C(=O)C1=Cc1ccccc1OCc1ccc(Br)cc1 ZINC000408915131 560653985 /nfs/dbraw/zinc/65/39/85/560653985.db2.gz VBCJJPJXHRESJV-UHFFFAOYSA-N 0 0 419.274 5.491 40 30 HKEBRN CCCN1C(=O)/C(=C\c2ccc(Br)cc2)S/C1=N\c1ccc(C)cc1 ZINC000408915144 560654012 /nfs/dbraw/zinc/65/40/12/560654012.db2.gz PFAAWLSHARMCFI-PVTBXJRFSA-N 0 0 415.356 5.772 40 30 HKEBRN C#CCOc1ccc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)cc1 ZINC000408915151 560654028 /nfs/dbraw/zinc/65/40/28/560654028.db2.gz PFUQIUQFMUIARJ-ONUIUJJFSA-N 0 0 414.530 5.642 40 30 HKEBRN COc1cccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)c1 ZINC000408915165 560654039 /nfs/dbraw/zinc/65/40/39/560654039.db2.gz PIXUJSLTGSJPPA-OQNHBUHUSA-N 0 0 414.530 6.121 40 30 HKEBRN COc1cccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C3CCCCC3)C2=O)c1O ZINC000408915183 558734490 /nfs/dbraw/zinc/73/44/90/558734490.db2.gz XDNJKWKJWHETBX-LPCFMYKTSA-N 0 0 422.550 5.646 40 30 HKEBRN CCCCN1C(=O)/C(=C\c2cn(C)c3ccccc23)S/C1=N\c1ccc(C)cc1 ZINC000408915196 560653999 /nfs/dbraw/zinc/65/39/99/560653999.db2.gz PMQYSUKEQNAMOW-LBMUFILHSA-N 0 0 403.551 5.891 40 30 HKEBRN CCc1ccccc1/N=C1\S/C(=C/c2ccc(F)cc2)C(=O)N1C1CCCCC1 ZINC000408915240 560654038 /nfs/dbraw/zinc/65/40/38/560654038.db2.gz PRRJREFARPZBSO-IPLYMLRXSA-N 0 0 408.542 6.325 40 30 HKEBRN CCc1ccccc1/N=C1\S/C(=C/c2ccccc2OC)C(=O)N1C1CCCCC1 ZINC000408915242 558734481 /nfs/dbraw/zinc/73/44/81/558734481.db2.gz XLLBMTTURNUJAU-OBUXZSPNSA-N 0 0 420.578 6.194 40 30 HKEBRN CCOc1c(/C=C2/S/C(=N\c3c(C)cccc3C)N(CC)C2=O)cccc1OC ZINC000408915289 560654018 /nfs/dbraw/zinc/65/40/18/560654018.db2.gz ZCYCHCCTICQAFW-OOOVJVDHSA-N 0 0 410.539 5.335 40 30 HKEBRN CCN1C(=O)/C(=C\c2ccc(OC)c3ccccc23)S/C1=N\c1ccc(C)cc1 ZINC000408915304 558734741 /nfs/dbraw/zinc/73/47/41/558734741.db2.gz ZJESEMZOWKXOLR-LBMUFILHSA-N 0 0 402.519 5.781 40 30 HKEBRN CCCN1C(=O)/C(=C\c2cc(Br)ccc2O)S/C1=N\c1ccccc1 ZINC000408915309 558734665 /nfs/dbraw/zinc/73/46/65/558734665.db2.gz ZKVDRMIFKXEKPU-CUNGHOPLSA-N 0 0 417.328 5.169 40 30 HKEBRN CCOc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N([C@H](C)CC)C2=O)ccc1OC ZINC000408915339 558734634 /nfs/dbraw/zinc/73/46/34/558734634.db2.gz XRATXVIFDVNLNZ-MYIPWOCFSA-N 0 0 424.566 5.805 40 30 HKEBRN CCOc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N([C@@H](C)CC)C2=O)ccc1OC ZINC000408915340 560653987 /nfs/dbraw/zinc/65/39/87/560653987.db2.gz XRATXVIFDVNLNZ-NRYATJGXSA-N 0 0 424.566 5.805 40 30 HKEBRN CCCCOc1ccc(/C=C2/S/C(=N\c3ccccc3)N(C(C)C)C2=O)cc1OC ZINC000408915347 558734684 /nfs/dbraw/zinc/73/46/84/558734684.db2.gz ZSSVZPLWPMENNC-FTJNEJEMSA-N 0 0 424.566 5.887 40 30 HKEBRN CCN1C(=O)/C(=C\c2ccc(Br)o2)S/C1=N\c1c(C)cccc1C ZINC000408915357 560654034 /nfs/dbraw/zinc/65/40/34/560654034.db2.gz ZVWCLBPKTDPVNJ-SQTQCTRYSA-N 0 0 405.317 5.283 40 30 HKEBRN Cc1ccc(/N=C2\S/C(=C/c3ccccc3OCC(C)C)C(=O)N2CC(C)C)cc1 ZINC000408915422 560653994 /nfs/dbraw/zinc/65/39/94/560653994.db2.gz YFUMSPLKXXBGTG-WRIATZMJSA-N 0 0 422.594 6.290 40 30 HKEBRN Cc1ccc(/N=C2\S/C(=C/c3ccc(F)cc3)C(=O)N2CCc2ccccc2)cc1 ZINC000408915451 560654016 /nfs/dbraw/zinc/65/40/16/560654016.db2.gz YPDAKICGKHQPDR-ACWMPWAISA-N 0 0 416.521 5.981 40 30 HKEBRN COc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C(C)C)C2=O)ccc1OC(C)C ZINC000408915453 560654006 /nfs/dbraw/zinc/65/40/06/560654006.db2.gz YRBPGJVBPFWNPQ-QMSJJHEMSA-N 0 0 424.566 5.803 40 30 HKEBRN CCc1ccccc1/N=C1\S/C(=C/c2ccccc2OCC(C)C)C(=O)N1CC ZINC000408915533 560654111 /nfs/dbraw/zinc/65/41/11/560654111.db2.gz PXJNPHSQDUYPGV-LBMUFILHSA-N 0 0 408.567 5.908 40 30 HKEBRN O=[N+]([O-])c1cc(-c2ccc(/C=N/c3ccc4c(c3)OCO4)o2)c(Cl)cc1Cl ZINC000408915547 558734712 /nfs/dbraw/zinc/73/47/12/558734712.db2.gz XOKRWQFCPJTEKR-ODCIPOBUSA-N 0 0 405.193 5.641 40 30 HKEBRN CCCCN1C(=O)/C(=C\c2cccc3ccccc23)S/C1=N\c1ccc(C)cc1 ZINC000408915591 560654152 /nfs/dbraw/zinc/65/41/52/560654152.db2.gz QDJDNBUXJFKGKC-OBUXZSPNSA-N 0 0 400.547 6.552 40 30 HKEBRN CC(C)Oc1ccc(/C=C2/S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1 ZINC000408915606 558734706 /nfs/dbraw/zinc/73/47/06/558734706.db2.gz QFMNFJRCXFDFJQ-OBUXZSPNSA-N 0 0 414.530 6.282 40 30 HKEBRN CCOc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C(C)C)C2=O)ccc1OC ZINC000408915635 558734655 /nfs/dbraw/zinc/73/46/55/558734655.db2.gz QISSNSZNWWAHAC-NFEGURHZSA-N 0 0 410.539 5.415 40 30 HKEBRN CCCOc1c(/C=C2/S/C(=N\c3ccc(C)cc3)N(C(C)C)C2=O)cccc1OC ZINC000408915639 560654190 /nfs/dbraw/zinc/65/41/90/560654190.db2.gz ZDFSEDKIKQZIGI-LPCFMYKTSA-N 0 0 424.566 5.805 40 30 HKEBRN CCOc1ccc2ccccc2c1/C=C1/S/C(=N\c2ccccc2CC)N(C)C1=O ZINC000408915651 560654108 /nfs/dbraw/zinc/65/41/08/560654108.db2.gz ZEKNXYIABUFNCP-OQNHBUHUSA-N 0 0 416.546 6.035 40 30 HKEBRN CCCN1C(=O)/C(=C\c2ccc(OC)c3ccccc23)S/C1=N\c1ccc(C)cc1 ZINC000408915655 558734606 /nfs/dbraw/zinc/73/46/06/558734606.db2.gz ZFIQPIPYMAOLCB-OQNHBUHUSA-N 0 0 416.546 6.171 40 30 HKEBRN CCCOc1ccccc1/C=C1/S/C(=N\c2ccc(C)cc2)N(CC(C)C)C1=O ZINC000408915667 560654131 /nfs/dbraw/zinc/65/41/31/560654131.db2.gz QLCHCNZZWSXJNW-LBMUFILHSA-N 0 0 408.567 6.044 40 30 HKEBRN CCCCN1C(=O)/C(=C\c2ccccc2OCCC)S/C1=N\c1ccc(C)cc1 ZINC000408915741 560654159 /nfs/dbraw/zinc/65/41/59/560654159.db2.gz QVBZQYXFPAVBSR-AIQBXGKYSA-N 0 0 408.567 6.188 40 30 HKEBRN Cc1ccc(Sc2oc(/C=N\c3ccc(Cl)cc3O)cc2Br)cc1 ZINC000408915784 560654167 /nfs/dbraw/zinc/65/41/67/560654167.db2.gz YMBXGOKSACEZGT-FBHDLOMBSA-N 0 0 422.731 6.611 40 30 HKEBRN Cc1ccc(Sc2oc(/C=N/c3cccc4ccccc43)cc2Br)cc1 ZINC000408915837 560654171 /nfs/dbraw/zinc/65/41/71/560654171.db2.gz ZWNNMVWZCOYQAX-ZVHZXABRSA-N 0 0 422.347 7.406 40 30 HKEBRN Cc1cccc(COc2c(Cl)cc(C=C3C(=O)c4ccccc4C3=O)cc2Cl)c1 ZINC000408915841 560654123 /nfs/dbraw/zinc/65/41/23/560654123.db2.gz ZXWXBLBRAIUCGL-UHFFFAOYSA-N 0 0 423.295 6.343 40 30 HKEBRN CCOc1cc(/C=C2/S/C(=N\c3ccccc3CC)N(CC)C2=O)ccc1OC ZINC000408915855 558734652 /nfs/dbraw/zinc/73/46/52/558734652.db2.gz RAQDLEDVLOMDFE-NVZLDUMVSA-N 0 0 410.539 5.280 40 30 HKEBRN C#CCOc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(CC(C)C)C2=O)cc1 ZINC000408915870 558734608 /nfs/dbraw/zinc/73/46/08/558734608.db2.gz REZQLECYNMSWMK-LBMUFILHSA-N 0 0 404.535 5.267 40 30 HKEBRN CCOc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N(CC(C)C)C2=O)ccc1O ZINC000408915881 558734580 /nfs/dbraw/zinc/73/45/80/558734580.db2.gz RJMFUSCYYSLXAC-GRUKXCDCSA-N 0 0 410.539 5.359 40 30 HKEBRN Cc1ccc(/N=C2\S/C(=C/c3cccc(Br)c3)C(=O)N2C(C)C)cc1 ZINC000408915905 558734941 /nfs/dbraw/zinc/73/49/41/558734941.db2.gz RQZOURLPMPFLNG-FTIPTLOASA-N 0 0 415.356 5.770 40 30 HKEBRN Cc1ccc(/N=C2\S/C(=C/c3ccc(F)cc3)C(=O)N2Cc2ccccc2)cc1 ZINC000408915907 558734901 /nfs/dbraw/zinc/73/49/01/558734901.db2.gz RRCDDBIAQDYZHM-GCXIQGEKSA-N 0 0 402.494 5.938 40 30 HKEBRN COc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C3CCCCC3)C2=O)cc1 ZINC000408915917 558734937 /nfs/dbraw/zinc/73/49/37/558734937.db2.gz RUBQAKJQXRXWRB-FTJNEJEMSA-N 0 0 406.551 5.940 40 30 HKEBRN Cc1ccc(/N=C2\S/C(=C/c3ccc(F)cc3)C(=O)N2c2ccc(C)cc2)cc1 ZINC000408915921 558734834 /nfs/dbraw/zinc/73/48/34/558734834.db2.gz RVOAFLINJYAWRZ-GCXIQGEKSA-N 0 0 402.494 6.251 40 30 HKEBRN CCc1ccccc1/N=C1\S/C(=C/c2ccccc2O)C(=O)N1C1CCCCC1 ZINC000408915995 560654175 /nfs/dbraw/zinc/65/41/75/560654175.db2.gz SUEIPEWOOZSKII-FTJNEJEMSA-N 0 0 406.551 5.891 40 30 HKEBRN COc1cccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(Cc3ccccc3)C2=O)c1 ZINC000408916006 558734928 /nfs/dbraw/zinc/73/49/28/558734928.db2.gz SWGSCLGCSALGCP-OQNHBUHUSA-N 0 0 414.530 5.808 40 30 HKEBRN CCc1ccccc1/N=C1\S/C(=C/c2ccc(Br)cc2)C(=O)N1C ZINC000408916024 560654135 /nfs/dbraw/zinc/65/41/35/560654135.db2.gz TULQJJQFYXJXPO-CUNGHOPLSA-N 0 0 401.329 5.245 40 30 HKEBRN CC[C@H](C)N1C(=O)/C(=C\c2cccc(OC)c2OC)S/C1=N\c1ccc(C)cc1 ZINC000408916030 560654173 /nfs/dbraw/zinc/65/41/73/560654173.db2.gz TXUFWEJOEFACCU-BZKUUJCWSA-N 0 0 410.539 5.415 40 30 HKEBRN CC[C@@H](C)N1C(=O)/C(=C\c2cccc(OC)c2OC)S/C1=N\c1ccc(C)cc1 ZINC000408916031 560654164 /nfs/dbraw/zinc/65/41/64/560654164.db2.gz TXUFWEJOEFACCU-YGRIDATGSA-N 0 0 410.539 5.415 40 30 HKEBRN CCOc1c(/C=C2/S/C(=N\c3ccccc3CC)N(CC)C2=O)cccc1OC ZINC000408916033 560654133 /nfs/dbraw/zinc/65/41/33/560654133.db2.gz TYIRWWREVOBOMW-MIIQOVFOSA-N 0 0 410.539 5.280 40 30 HKEBRN Cc1ccc(/N=C2\S/C(=C/c3ccc(Br)cc3)C(=O)N2C(C)C)cc1 ZINC000408916066 560654184 /nfs/dbraw/zinc/65/41/84/560654184.db2.gz UKNKQZCXHPEXPO-FTIPTLOASA-N 0 0 415.356 5.770 40 30 HKEBRN N#CCOc1cccc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)c1 ZINC000408916103 558734979 /nfs/dbraw/zinc/73/49/79/558734979.db2.gz UTRXFWOHSKRDPG-QQXSKIMKSA-N 0 0 415.518 5.532 40 30 HKEBRN C=CCn1cc(/C=C2/S/C(=N\c3ccccc3CC)N(C)C2=O)c2ccccc21 ZINC000408916170 558734810 /nfs/dbraw/zinc/73/48/10/558734810.db2.gz VNOHZNKSRHHCCY-LBMUFILHSA-N 0 0 401.535 5.624 40 30 HKEBRN CC(C)Oc1ccc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)cc1 ZINC000408916174 558734975 /nfs/dbraw/zinc/73/49/75/558734975.db2.gz VOPVJYOHFXLFMZ-QQXSKIMKSA-N 0 0 418.562 6.417 40 30 HKEBRN CCOc1ccc(/C=C2/S/C(=N\c3ccccc3CC)N(CC)C2=O)cc1OC ZINC000408916175 560654185 /nfs/dbraw/zinc/65/41/85/560654185.db2.gz VPIKEGVZZKRYJU-NVZLDUMVSA-N 0 0 410.539 5.280 40 30 HKEBRN CCCOc1ccccc1/C=C1/S/C(=N\c2ccccc2)N(c2ccccc2)C1=O ZINC000408916182 560654150 /nfs/dbraw/zinc/65/41/50/560654150.db2.gz VRQFSSSGVFWMIX-LVCNHQDNSA-N 0 0 414.530 6.284 40 30 HKEBRN CCCN1C(=O)/C(=C\c2cccc(Cl)c2Cl)S/C1=N\c1ccc(C)cc1 ZINC000408916187 560654217 /nfs/dbraw/zinc/65/42/17/560654217.db2.gz VTNVUPAOMSUAOL-FWBDJVAPSA-N 0 0 405.350 6.316 40 30 HKEBRN CCOc1ccc(Cl)cc1/C=C1/S/C(=N\c2ccc(C)cc2)N(C(C)C)C1=O ZINC000408916197 558734932 /nfs/dbraw/zinc/73/49/32/558734932.db2.gz VYBVREWTEAJAJZ-POHNCSCLSA-N 0 0 414.958 6.060 40 30 HKEBRN CCCN1C(=O)/C(=C\c2ccc(OC)c(OCC)c2)S/C1=N\c1ccc(C)cc1 ZINC000408916198 560654225 /nfs/dbraw/zinc/65/42/25/560654225.db2.gz VYOZBLUSXOHTCI-NVZLDUMVSA-N 0 0 410.539 5.416 40 30 HKEBRN Cc1ccc(/N=C2\S/C(=C/c3ccccc3C)C(=O)N2CCc2ccccc2)cc1 ZINC000408916200 560654226 /nfs/dbraw/zinc/65/42/26/560654226.db2.gz VZIKALUTFOUYBO-KWPJTZOTSA-N 0 0 412.558 6.150 40 30 HKEBRN Cc1ccc(/N=C2\S/C(=C/c3ccc(Cl)cc3)C(=O)N2C2CCCCC2)cc1 ZINC000408916212 558734851 /nfs/dbraw/zinc/73/48/51/558734851.db2.gz WBXSRPDTTFDSMC-DBSKITMISA-N 0 0 410.970 6.585 40 30 HKEBRN CC[C@H](C)N1C(=O)/C(=C\c2cc(Cl)ccc2O)S/C1=N\c1ccc(C)cc1 ZINC000408916229 558735133 /nfs/dbraw/zinc/73/51/33/558735133.db2.gz WHCGJIMKEHUTJN-COBJSXJPSA-N 0 0 400.931 5.757 40 30 HKEBRN CC[C@@H](C)N1C(=O)/C(=C\c2cc(Cl)ccc2O)S/C1=N\c1ccc(C)cc1 ZINC000408916230 560654207 /nfs/dbraw/zinc/65/42/07/560654207.db2.gz WHCGJIMKEHUTJN-UESVEAJBSA-N 0 0 400.931 5.757 40 30 HKEBRN Cc1ccc(/N=C2\S/C(=C/c3c(F)cccc3Cl)C(=O)N2CC(C)C)cc1 ZINC000408916338 558735160 /nfs/dbraw/zinc/73/51/60/558735160.db2.gz WMFZMHBHAHHIHH-WTUADNJESA-N 0 0 402.922 6.048 40 30 HKEBRN C=CCOc1c(/C=C2/S/C(=N\c3ccccc3CC)N(C)C2=O)cccc1OC ZINC000408916349 558735078 /nfs/dbraw/zinc/73/50/78/558735078.db2.gz WNJPCNRBMBZLBM-MIIQOVFOSA-N 0 0 408.523 5.056 40 30 HKEBRN CCCN1C(=O)/C(=C\c2cc(Cl)ccc2OCC)S/C1=N\c1ccccc1 ZINC000408916362 558735145 /nfs/dbraw/zinc/73/51/45/558735145.db2.gz WQGMDJSKQGERRY-ZIGJTDFESA-N 0 0 400.931 5.753 40 30 HKEBRN CCCOc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(CC(C)C)C2=O)cc1 ZINC000408916365 558735103 /nfs/dbraw/zinc/73/51/03/558735103.db2.gz WRKMJZDPYMEPNC-LBMUFILHSA-N 0 0 408.567 6.044 40 30 HKEBRN CCCCN1C(=O)/C(=C\c2ccc(C(C)(C)C)cc2)S/C1=N\c1ccc(C)cc1 ZINC000408916401 560654231 /nfs/dbraw/zinc/65/42/31/560654231.db2.gz XBIUBVDAKXYOKH-GVPYCIPCSA-N 0 0 406.595 6.697 40 30 HKEBRN Cc1ccc(/N=C2\S/C(=C/c3ccc(Cl)cc3Cl)C(=O)N2C(C)C)cc1 ZINC000408916430 560654201 /nfs/dbraw/zinc/65/42/01/560654201.db2.gz XKEAQJRQSCZFJK-HPGAWOKTSA-N 0 0 405.350 6.314 40 30 HKEBRN CCOC(=O)c1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C(C)C)C2=O)cc1 ZINC000408916585 558735601 /nfs/dbraw/zinc/73/56/01/558735601.db2.gz YCTULQPMMDJMHO-ZSICUCBDSA-N 0 0 408.523 5.184 40 30 HKEBRN Cc1ccc(/N=C2\S/C(=C/c3ccc(C(C)(C)C)cc3)C(=O)N2CC(C)C)cc1 ZINC000408916592 560654249 /nfs/dbraw/zinc/65/42/49/560654249.db2.gz YIDSKDATSYTQMI-GCXIQGEKSA-N 0 0 406.595 6.553 40 30 HKEBRN Cc1ccc(/N=C2\S/C(=C/C=C/c3ccccc3)C(=O)N2C2CCCCC2)cc1 ZINC000408916605 560654247 /nfs/dbraw/zinc/65/42/47/560654247.db2.gz YLQFCKOWUTURHS-BMDLNNLGSA-N 0 0 402.563 6.488 40 30 HKEBRN CC[C@@H](C)N1C(=O)/C(=C\c2c(F)cccc2Cl)S/C1=N\c1ccc(C)cc1 ZINC000408916625 560654218 /nfs/dbraw/zinc/65/42/18/560654218.db2.gz YOZGDNZUEAAXTC-QGPWVIIOSA-N 0 0 402.922 6.190 40 30 HKEBRN CC[C@H](C)N1C(=O)/C(=C\c2c(F)cccc2Cl)S/C1=N\c1ccc(C)cc1 ZINC000408916626 558735651 /nfs/dbraw/zinc/73/56/51/558735651.db2.gz YOZGDNZUEAAXTC-SEQIRSFSSA-N 0 0 402.922 6.190 40 30 HKEBRN C=CCOc1c(/C=C2/S/C(=N\c3ccccc3)N(CCC)C2=O)cccc1OC ZINC000408916630 560654235 /nfs/dbraw/zinc/65/42/35/560654235.db2.gz YPLAHJOBIKLBLO-VSMSAFETSA-N 0 0 408.523 5.274 40 30 HKEBRN Cc1ccc(/N=C2\S/C(=C/c3ccc(OC(C)C)cc3)C(=O)N2CC(C)C)cc1 ZINC000408916635 560654233 /nfs/dbraw/zinc/65/42/33/560654233.db2.gz YQWWHEHSCISDTF-QMSJJHEMSA-N 0 0 408.567 6.042 40 30 HKEBRN CCCN1C(=O)/C(=C\c2ccccc2OCC(C)C)S/C1=N\c1ccc(C)cc1 ZINC000408916636 558735665 /nfs/dbraw/zinc/73/56/65/558735665.db2.gz YRUGHVFNRWOVPZ-LBMUFILHSA-N 0 0 408.567 6.044 40 30 HKEBRN C=CCOc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(CC(C)C)C2=O)cc1 ZINC000408916698 560654261 /nfs/dbraw/zinc/65/42/61/560654261.db2.gz YTIYSWPRVQVUPD-LBMUFILHSA-N 0 0 406.551 5.820 40 30 HKEBRN COc1ccc(Cl)cc1/C=N\c1sc2c(c1C(=O)Nc1ccccc1)CCCC2 ZINC000408916714 558735594 /nfs/dbraw/zinc/73/55/94/558735594.db2.gz YUDCYSXUAUVWQH-QFEZKATASA-N 0 0 424.953 6.292 40 30 HKEBRN CCCOc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N([C@@H](C)CC)C2=O)cc1 ZINC000408916719 560654228 /nfs/dbraw/zinc/65/42/28/560654228.db2.gz YVAUOBVMAZITMM-FNXXDVGZSA-N 0 0 408.567 6.186 40 30 HKEBRN CCCOc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N([C@H](C)CC)C2=O)cc1 ZINC000408916721 560654266 /nfs/dbraw/zinc/65/42/66/560654266.db2.gz YVAUOBVMAZITMM-KDNQEJAHSA-N 0 0 408.567 6.186 40 30 HKEBRN CCc1ccccc1/N=C1\S/C(=C/c2cn(CC)c3ccccc23)C(=O)N1CC ZINC000408916746 558735585 /nfs/dbraw/zinc/73/55/85/558735585.db2.gz YYTKBGDHMMUMOC-LBMUFILHSA-N 0 0 403.551 5.848 40 30 HKEBRN C=CCn1cc(/C=C2/S/C(=N\c3ccccc3)N(CCC)C2=O)c2ccccc21 ZINC000408916747 558735599 /nfs/dbraw/zinc/73/55/99/558735599.db2.gz YZQLONCOTRQYFL-FTJNEJEMSA-N 0 0 401.535 5.841 40 30 HKEBRN COc1ccc(OC)c(/C=C2/S/C(=N\c3ccc(C)cc3)N(CC(C)C)C2=O)c1 ZINC000408916768 560654253 /nfs/dbraw/zinc/65/42/53/560654253.db2.gz ZBISKJBUISYGRE-GRUKXCDCSA-N 0 0 410.539 5.272 40 30 HKEBRN CCc1ccccc1/N=C1\S/C(=C/c2ccc(Cl)cc2Cl)C(=O)N1CC ZINC000408916798 560654384 /nfs/dbraw/zinc/65/43/84/560654384.db2.gz ZDTSZBKUSFLBGO-DSBFQLCGSA-N 0 0 405.350 6.180 40 30 HKEBRN CCCCN1C(=O)/C(=C\c2cccc(OC)c2OC)S/C1=N\c1ccc(C)cc1 ZINC000408916816 560654337 /nfs/dbraw/zinc/65/43/37/560654337.db2.gz ZHUTTXXOTYBZOL-MIIQOVFOSA-N 0 0 410.539 5.416 40 30 HKEBRN C#CCOc1ccccc1/C=N\c1sc2c(c1C(=O)Nc1ccccc1)CCCC2 ZINC000408916828 560654395 /nfs/dbraw/zinc/65/43/95/560654395.db2.gz ZMSBGKXOOUWTIM-ONUIUJJFSA-N 0 0 414.530 5.642 40 30 HKEBRN Cc1ccc(/N=C2\S/C(=C/c3cccc(Cl)c3Cl)C(=O)N2C(C)C)cc1 ZINC000408916840 560654372 /nfs/dbraw/zinc/65/43/72/560654372.db2.gz ZSOKVVKFBSOZMW-BPRJVQAXSA-N 0 0 405.350 6.314 40 30 HKEBRN CCc1ccccc1/N=C1\S/C(=C/c2ccccc2C)C(=O)N1C1CCCCC1 ZINC000408916857 558735603 /nfs/dbraw/zinc/73/56/03/558735603.db2.gz ZZDBQTOYFVSHAP-OBUXZSPNSA-N 0 0 404.579 6.494 40 30 HKEBRN COc1ccc(Cl)cc1/C=C1\S/C(=N\c2ccccc2)N(Cc2ccco2)C1=O ZINC000408916950 560653468 /nfs/dbraw/zinc/65/34/68/560653468.db2.gz JJBDCLVHCVDNFP-AQWOHROKSA-N 0 0 424.909 5.746 40 30 HKEBRN CCOc1ccccc1/C=C1\S/C(=N\c2ccccc2)N(Cc2ccco2)C1=O ZINC000408917181 558735615 /nfs/dbraw/zinc/73/56/15/558735615.db2.gz OJDVRZCZRSVVDX-YACCPEJUSA-N 0 0 404.491 5.483 40 30 HKEBRN C#CCN1C(=O)S/C(=C/c2cn(Cc3ccc4ccccc4c3)c3ccccc23)C1=O ZINC000408917243 558735587 /nfs/dbraw/zinc/73/55/87/558735587.db2.gz PRABNQDAMQDXKK-BUVRLJJBSA-N 0 0 422.509 5.512 40 30 HKEBRN Cc1cc(C)c(/C=C2\S/C(=N\c3ccccc3)N(Cc3ccco3)C2=O)c(C)c1 ZINC000408917434 560653500 /nfs/dbraw/zinc/65/35/00/560653500.db2.gz UIQNBKJPTOYDOO-BTRCZGFISA-N 0 0 402.519 6.009 40 30 HKEBRN C#CCN1C(=O)S/C(=C\c2cc(C)n(-c3ccc(-c4ccccc4)cc3)c2C)C1=O ZINC000408917544 558735658 /nfs/dbraw/zinc/73/56/58/558735658.db2.gz WTACZIYHYKREIV-KQWNVCNZSA-N 0 0 412.514 5.431 40 30 HKEBRN C#CCN1C(=O)S/C(=C/c2cn(Cc3cccc4ccccc43)c3ccccc23)C1=O ZINC000408917605 560653443 /nfs/dbraw/zinc/65/34/43/560653443.db2.gz YGSUPGJOISTBJF-BUVRLJJBSA-N 0 0 422.509 5.512 40 30 HKEBRN Cc1[nH]c2ccccc2c1/C=N/c1oc(-c2ccccc2)c(-c2ccccc2)c1C#N ZINC000408917790 558735085 /nfs/dbraw/zinc/73/50/85/558735085.db2.gz BDSYUFBGBOOKPW-STBIYBPSSA-N 0 0 401.469 7.026 40 30 HKEBRN COc1ccc(/C=C2\S/C(=N\c3ccccc3)N(Cc3ccco3)C2=O)cc1C ZINC000408918003 560654427 /nfs/dbraw/zinc/65/44/27/560654427.db2.gz DXZBSBCMSKIBLP-PZUCIDFCSA-N 0 0 404.491 5.401 40 30 HKEBRN N#Cc1c(/N=C/c2ccc(Br)o2)oc(-c2ccccc2)c1-c1ccccc1 ZINC000408918239 560654421 /nfs/dbraw/zinc/65/44/21/560654421.db2.gz HWJUUKQFQBPNBF-AFUMVMLFSA-N 0 0 417.262 6.591 40 30 HKEBRN C#CCN1C(=O)S/C(=C/c2c(OCc3ccc(C)cc3)ccc3ccccc32)C1=O ZINC000408918293 560654575 /nfs/dbraw/zinc/65/45/75/560654575.db2.gz IPSPUIJZBGYYNP-HZHRSRAPSA-N 0 0 413.498 5.397 40 30 HKEBRN C#CCN1C(=O)S/C(=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)C1=O ZINC000408918298 560654586 /nfs/dbraw/zinc/65/45/86/560654586.db2.gz ISXVNWLOXDVXOK-RQZCQDPDSA-N 0 0 405.306 5.070 40 30 HKEBRN COc1cccc(/C=C2\S/C(=N\c3ccccc3)N(Cc3ccco3)C2=O)c1OC ZINC000408918384 558735877 /nfs/dbraw/zinc/73/58/77/558735877.db2.gz JUZAKZJWIFWXFR-YKQZMZHDSA-N 0 0 420.490 5.101 40 30 HKEBRN CCOc1cc(/C=N/c2oc(C)c(C)c2C#N)ccc1OCc1cccc2ccccc21 ZINC000408918493 560654584 /nfs/dbraw/zinc/65/45/84/560654584.db2.gz LDSSBFTXZMIMSV-MUFRIFMGSA-N 0 0 424.500 6.650 40 30 HKEBRN CCOc1cc(/C=N/c2oc(C)c(C)c2C#N)ccc1OCc1ccc(Cl)cc1 ZINC000408918764 560654546 /nfs/dbraw/zinc/65/45/46/560654546.db2.gz OSTHGTVNXLKMKU-LGJNPRDNSA-N 0 0 408.885 6.150 40 30 HKEBRN COc1cccc(/C=N/c2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)c1OC ZINC000408919129 560654577 /nfs/dbraw/zinc/65/45/77/560654577.db2.gz TTXLHSSXYJZKKD-OGLMXYFKSA-N 0 0 408.457 6.253 40 30 HKEBRN CCOc1cc(/C=N/c2oc(C)c(C)c2C#N)ccc1OCc1ccccc1Cl ZINC000408919287 558737944 /nfs/dbraw/zinc/73/79/44/558737944.db2.gz VWNLLROLRKOAPF-LGJNPRDNSA-N 0 0 408.885 6.150 40 30 HKEBRN COc1ccc(CN2C(=O)/C(=C/c3cccs3)S/C2=N/c2ccccc2)cc1 ZINC000408919342 560654663 /nfs/dbraw/zinc/65/46/63/560654663.db2.gz WPUUBAUYOWNIHJ-JHHKTYBCSA-N 0 0 406.532 5.561 40 30 HKEBRN CCCOc1ccc(C2C3=C(CCCC3=O)N(CC)C3=C2C(=O)CCC3)cc1OCC ZINC000408919745 558738139 /nfs/dbraw/zinc/73/81/39/558738139.db2.gz BWSVJMKQKNNMEJ-UHFFFAOYSA-N 0 0 423.553 5.307 40 30 HKEBRN CCCN1C2=C(C(=O)CCC2)C(c2ccc(OC(C)C)c(OC)c2)C2=C1CCCC2=O ZINC000408920157 558738368 /nfs/dbraw/zinc/73/83/68/558738368.db2.gz HVVIPJDYLNECBB-UHFFFAOYSA-N 0 0 423.553 5.306 40 30 HKEBRN C#CCOc1ccccc1/C=C1\S/C(=N/c2ccccc2)N(C2CCCCC2)C1=O ZINC000408921228 560654391 /nfs/dbraw/zinc/65/43/91/560654391.db2.gz BBYMBLRVCAJYCV-LEGXJBLQSA-N 0 0 416.546 5.635 40 30 HKEBRN CCCOc1ccc(C2C3=C(CCCC3=O)N(CCC)C3=C2C(=O)CCC3)cc1OC ZINC000408921256 558739374 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HKEBRN CC/N=C1/S/C(=C\c2cc(C)n(-c3cc(Cl)ccc3OC)c2C)C(=O)N1CC ZINC000408930502 558750608 /nfs/dbraw/zinc/75/06/08/558750608.db2.gz XVRZLXLHFUHSRW-XTJABLFPSA-N 0 0 417.962 5.068 40 30 HKEBRN C/N=C1/S/C(=C/c2c(C)n(Cc3ccc(Cl)cc3)c3ccccc23)C(=O)N1C ZINC000408930551 558750517 /nfs/dbraw/zinc/75/05/17/558750517.db2.gz YMOSIDAXOGTADS-SRWYGHAPSA-N 0 0 409.942 5.183 40 30 HKEBRN CC/N=C1/S/C(=C/c2cc(C)n(-c3ccc(N(CC)CC)cc3)c2C)C(=O)N1CC ZINC000408930553 558750568 /nfs/dbraw/zinc/75/05/68/558750568.db2.gz YNWMLUFUXLIUBM-XAFFKLEKSA-N 0 0 424.614 5.252 40 30 HKEBRN CCOCCN1C(=O)/C(=C/c2ccc(N(CC)CC)cc2)S/C1=N/c1ccccc1 ZINC000408930571 560655509 /nfs/dbraw/zinc/65/55/09/560655509.db2.gz YXPCDZYNKRSSSR-BWRKVRLCSA-N 0 0 423.582 5.173 40 30 HKEBRN CCN1C(=O)/C(=C/c2sccc2C)S/C1=N/c1ccc(N2CCCCC2)cc1 ZINC000408930585 558750930 /nfs/dbraw/zinc/75/09/30/558750930.db2.gz ZCFWLGQSQTZGAD-PKEPYMRNSA-N 0 0 411.596 5.671 40 30 HKEBRN Cc1cc(/C=N/c2ccc(N3CCOCC3)cc2)c(C)n1-c1ccc(C(C)C)cc1 ZINC000408930664 560655628 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Cc1cc(/C=N/c2ccc(N3CCOCC3)cc2)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408930964 560655651 /nfs/dbraw/zinc/65/56/51/560655651.db2.gz FKIVKCLXCOTJOS-TURZUDJPSA-N 0 0 415.581 5.979 40 30 HKEBRN CCOc1cc(/C=N/c2ccc(N3CCOCC3)cc2)cc(Cl)c1O[C@H](C)CC ZINC000408930976 560655665 /nfs/dbraw/zinc/65/56/65/560655665.db2.gz FQAIKXUMXNFAHB-GZPJKGAFSA-N 0 0 416.949 5.503 40 30 HKEBRN CCOc1cc(/C=N/c2ccc(N3CCOCC3)cc2)cc(Cl)c1O[C@@H](C)CC ZINC000408930977 558751140 /nfs/dbraw/zinc/75/11/40/558751140.db2.gz FQAIKXUMXNFAHB-XUANBZSPSA-N 0 0 416.949 5.503 40 30 HKEBRN O=[N+]([O-])c1cc(-c2ccc(/C=N\c3ccc(N4CCOCC4)cc3)o2)ccc1Cl ZINC000408930992 560655656 /nfs/dbraw/zinc/65/56/56/560655656.db2.gz FVZPOWIOMNOYAU-UCQKPKSFSA-N 0 0 411.845 5.095 40 30 HKEBRN CCOC(=O)c1ccc(-c2ccc(C=NNc3ccc(C(F)(F)F)cc3)o2)cc1 ZINC000408930998 558751042 /nfs/dbraw/zinc/75/10/42/558751042.db2.gz FXAJBRKVSCAZOQ-MXAYSNPKSA-N 0 0 402.372 5.588 40 30 HKEBRN COc1cc(/C=N/c2ccc(N3CCOCC3)cc2)ccc1OCc1cccc(C)c1 ZINC000408931034 558751168 /nfs/dbraw/zinc/75/11/68/558751168.db2.gz GGZXJRXZPGIGQV-OVVQPSECSA-N 0 0 416.521 5.170 40 30 HKEBRN O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(/C=N/c2ccc(N3CCOCC3)cc2)o1 ZINC000408931049 560655630 /nfs/dbraw/zinc/65/56/30/560655630.db2.gz GLXOPOJREPWTCN-OEAKJJBVSA-N 0 0 411.845 5.095 40 30 HKEBRN Cc1cc(/C=N/c2ccc(N3CCOCC3)cc2)c(C)n1-c1cccc(Cl)c1C ZINC000408931085 560655701 /nfs/dbraw/zinc/65/57/01/560655701.db2.gz GZPCYKMZLFPFMH-WGOQTCKBSA-N 0 0 407.945 5.643 40 30 HKEBRN Cc1cc(/C=N/c2ccc(N3CCOCC3)cc2)c(C)n1-c1cccc2ccccc21 ZINC000408931126 558751089 /nfs/dbraw/zinc/75/10/89/558751089.db2.gz HNKVGMAKHFFPKZ-TURZUDJPSA-N 0 0 409.533 5.835 40 30 HKEBRN Cc1ccc2[nH]c(Sc3ccc(C=Nc4ccc(N5CCOCC5)cc4)o3)nc2c1 ZINC000408931130 560655734 /nfs/dbraw/zinc/65/57/34/560655734.db2.gz HOCORODWBQCQQH-BUVRLJJBSA-N 0 0 418.522 5.203 40 30 HKEBRN C(=N/c1ccc(N2CCOCC2)cc1)\c1ccccc1OCc1cccc2ccccc21 ZINC000408931220 558751073 /nfs/dbraw/zinc/75/10/73/558751073.db2.gz IPBLINIXBMVVGR-ZTKZIYFRSA-N 0 0 422.528 6.006 40 30 HKEBRN COc1cc(/C=N/c2ccc(N3CCOCC3)cc2)ccc1OCc1ccccc1F ZINC000408931273 560655703 /nfs/dbraw/zinc/65/57/03/560655703.db2.gz JIWOFCPYUFWLJH-WPWMEQJKSA-N 0 0 420.484 5.001 40 30 HKEBRN Clc1ccc(-c2ccc(/C=N\c3ccc(N4CCOCC4)cc3)o2)cc1Cl ZINC000408931285 560655678 /nfs/dbraw/zinc/65/56/78/560655678.db2.gz JMLVZWYCIFARSJ-OYKKKHCWSA-N 0 0 401.293 5.841 40 30 HKEBRN COC(=O)c1ccc(-n2c(C)cc(/C=N\c3ccc(Cl)cc3Cl)c2C)c(C)c1 ZINC000408931335 560655693 /nfs/dbraw/zinc/65/56/93/560655693.db2.gz KFMDZGJULJURBP-ROTLSHHCSA-N 0 0 415.320 6.247 40 30 HKEBRN CCOc1cc(/C=N/c2ccc(N3CCOCC3)cc2)cc(Cl)c1OC(C)C ZINC000408931388 560655700 /nfs/dbraw/zinc/65/57/00/560655700.db2.gz LACJZWSMAUPZGQ-BUVRLJJBSA-N 0 0 402.922 5.113 40 30 HKEBRN COc1cc(C=NNc2ccc(C(F)(F)F)cc2)ccc1OCc1ccccc1F ZINC000408931396 560655726 /nfs/dbraw/zinc/65/57/26/560655726.db2.gz LBUFSMAAIPMXKM-WKIKZPBSSA-N 0 0 418.390 5.878 40 30 HKEBRN C(=N/c1ccc(N2CCOCC2)cc1)\c1ccc(OCc2cccc3ccccc32)cc1 ZINC000408931415 560655707 /nfs/dbraw/zinc/65/57/07/560655707.db2.gz LHRKGBUIACCVRB-ZTKZIYFRSA-N 0 0 422.528 6.006 40 30 HKEBRN Cc1cccc(Cn2cc(/C=N/c3ccc(N4CCOCC4)cc3)c3ccccc32)c1 ZINC000408931494 558751133 /nfs/dbraw/zinc/75/11/33/558751133.db2.gz MHWAJUOORYSECC-MTDXEUNCSA-N 0 0 409.533 5.585 40 30 HKEBRN FC(F)(F)c1ccc(NN=Cc2ccc(OCc3ccc4ccccc4c3)cc2)cc1 ZINC000408931499 560655000 /nfs/dbraw/zinc/65/50/00/560655000.db2.gz MJRBPMBMPMDPTD-MWLSYYOVSA-N 0 0 420.434 6.884 40 30 HKEBRN Cc1ccc(Cn2cc(/C=N/c3ccc(N4CCOCC4)cc3)c3ccccc32)cc1 ZINC000408931574 558751069 /nfs/dbraw/zinc/75/10/69/558751069.db2.gz NISBWRDYNJBQQF-MTDXEUNCSA-N 0 0 409.533 5.585 40 30 HKEBRN Cc1cc(/C=N/c2ccc(N3CCOCC3)cc2)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000408931664 560655024 /nfs/dbraw/zinc/65/50/24/560655024.db2.gz OPXOMWUOMPCABP-CVKSISIWSA-N 0 0 411.908 5.474 40 30 HKEBRN Clc1ccccc1COc1ccccc1/C=N/c1ccc(N2CCOCC2)cc1 ZINC000408931777 558751653 /nfs/dbraw/zinc/75/16/53/558751653.db2.gz QDNBALGFQMWYCM-YZSQISJMSA-N 0 0 406.913 5.506 40 30 HKEBRN CC[C@@H](C)Oc1c(Cl)cc(/C=N/c2ccc(N3CCOCC3)cc2)cc1OC ZINC000408931896 558751387 /nfs/dbraw/zinc/75/13/87/558751387.db2.gz RTKOVIARBFQQFA-DTVDJLOLSA-N 0 0 402.922 5.113 40 30 HKEBRN CC[C@H](C)Oc1c(Cl)cc(/C=N/c2ccc(N3CCOCC3)cc2)cc1OC ZINC000408931897 560655066 /nfs/dbraw/zinc/65/50/66/560655066.db2.gz RTKOVIARBFQQFA-WTJYETQFSA-N 0 0 402.922 5.113 40 30 HKEBRN Cc1cc(C=NNc2ccc(C(F)(F)F)cc2)c(C)n1-c1ccc([N+](=O)[O-])cc1 ZINC000408931962 560656039 /nfs/dbraw/zinc/65/60/39/560656039.db2.gz AGAAYNOCPOGYJW-WYMPLXKRSA-N 0 0 402.376 5.467 40 30 HKEBRN O=C(COc1ccc(C=NNc2ccc(C(F)(F)F)cc2)cc1)Nc1ccccc1 ZINC000408931985 560656035 /nfs/dbraw/zinc/65/60/35/560656035.db2.gz AMJSCTLQPVZVCE-WGARJPEWSA-N 0 0 413.399 5.169 40 30 HKEBRN C(=N/c1ccc(N2CCOCC2)cc1)\c1ccccc1OCc1ccc2ccccc2c1 ZINC000408932233 558751920 /nfs/dbraw/zinc/75/19/20/558751920.db2.gz VANPBDVIMCVSDS-ZTKZIYFRSA-N 0 0 422.528 6.006 40 30 HKEBRN O=[N+]([O-])c1ccc(COc2ccccc2C=NNc2ccc(C(F)(F)F)cc2)cc1 ZINC000408932261 560656089 /nfs/dbraw/zinc/65/60/89/560656089.db2.gz VEZUFOCZUIOSAU-MXAYSNPKSA-N 0 0 415.371 5.639 40 30 HKEBRN Clc1ccc(Cl)c(-c2ccc(/C=N/c3ccc(N4CCOCC4)cc3)o2)c1 ZINC000408932265 560656111 /nfs/dbraw/zinc/65/61/11/560656111.db2.gz VFBHTWCUEFQHGE-ZVHZXABRSA-N 0 0 401.293 5.841 40 30 HKEBRN Cc1cc(C=NNc2ccc(C(F)(F)F)cc2)c(C)n1-c1cccc2ccccc21 ZINC000408932266 558751826 /nfs/dbraw/zinc/75/18/26/558751826.db2.gz VFBQHKGXJIVWJZ-MBTHVWNTSA-N 0 0 407.439 6.712 40 30 HKEBRN COCCCN1C(=O)/C(=C/c2ccc(OCC(C)C)cc2)S/C1=N\c1ccccc1 ZINC000408932341 560656135 /nfs/dbraw/zinc/65/61/35/560656135.db2.gz VWDGIFDPWBDGBY-WMOWQXFYSA-N 0 0 424.566 5.362 40 30 HKEBRN CC[C@@H](C)Oc1ccc(/C=N/c2ccc(N3CCOCC3)cc2)cc1Br ZINC000408932358 560656119 /nfs/dbraw/zinc/65/61/19/560656119.db2.gz WCTLADGXQYCEAR-LGVXEURYSA-N 0 0 417.347 5.214 40 30 HKEBRN CC[C@H](C)Oc1ccc(/C=N/c2ccc(N3CCOCC3)cc2)cc1Br ZINC000408932359 560656083 /nfs/dbraw/zinc/65/60/83/560656083.db2.gz WCTLADGXQYCEAR-PFRBSUFTSA-N 0 0 417.347 5.214 40 30 HKEBRN CC/N=C1/S/C(=C/c2ccccc2OCc2cccc3ccccc32)C(=O)N1CC ZINC000408932382 558752210 /nfs/dbraw/zinc/75/22/10/558752210.db2.gz WLVKJQORTAVSFC-XZKXACHFSA-N 0 0 416.546 5.731 40 30 HKEBRN Cc1cc(/C=N/c2ccc(N3CCOCC3)cc2)c(C)n1-c1cc(Cl)ccc1C ZINC000408932384 560656085 /nfs/dbraw/zinc/65/60/85/560656085.db2.gz WMVPZJCPFGJOBG-WGOQTCKBSA-N 0 0 407.945 5.643 40 30 HKEBRN COc1cc(/C=N/c2ccc(N3CCOCC3)cc2)ccc1OCc1ccc(C)cc1 ZINC000408932456 560656129 /nfs/dbraw/zinc/65/61/29/560656129.db2.gz XFDAOSZBTPDWBJ-OVVQPSECSA-N 0 0 416.521 5.170 40 30 HKEBRN FC(F)(F)c1ccc(NN=Cc2cc(Br)c(Br)o2)cc1 ZINC000408932465 558752201 /nfs/dbraw/zinc/75/22/01/558752201.db2.gz CEXLDPYLQUHYBX-FXBPXSCXSA-N 0 0 412.003 5.269 40 30 HKEBRN CCOC(=O)c1ccc(/N=C/c2cc(C)n(-c3ccc(C(=O)OC)cc3C)c2C)cc1 ZINC000408932520 560656128 /nfs/dbraw/zinc/65/61/28/560656128.db2.gz CWMBBMLHNJUXPL-CVKSISIWSA-N 0 0 418.493 5.116 40 30 HKEBRN Cc1cc(/C=N/c2ccc(N3CCOCC3)cc2)c(C)n1-c1ccc2ccccc2c1 ZINC000408932561 558752159 /nfs/dbraw/zinc/75/21/59/558752159.db2.gz XKMLZOFPOBDQFB-TURZUDJPSA-N 0 0 409.533 5.835 40 30 HKEBRN FC(F)(F)c1ccc(NN=Cc2ccc(-c3ccc(Br)cc3)o2)cc1 ZINC000408932681 560656115 /nfs/dbraw/zinc/65/61/15/560656115.db2.gz DNOCSVAUVSZRBW-FOKLQQMPSA-N 0 0 409.205 6.174 40 30 HKEBRN CCCCc1ccc(-n2c(C)cc(/C=N/c3ccc(N4CCOCC4)cc3)c2C)cc1 ZINC000408932685 560656106 /nfs/dbraw/zinc/65/61/06/560656106.db2.gz YOYRXSKSFNCLSV-VFCFBJKWSA-N 0 0 415.581 6.024 40 30 HKEBRN C#CCOc1c(CC=C)cc(C=NNc2ccc(C(F)(F)F)cc2)cc1OCC ZINC000408932759 560655837 /nfs/dbraw/zinc/65/58/37/560655837.db2.gz DWDDRAJPFWLAFB-YSMPRRRNSA-N 0 0 402.416 5.291 40 30 HKEBRN COC(=O)c1ccc(-n2c(C)cc(/C=N\c3ccc(C(C)(C)C)cc3)c2C)c(C)c1 ZINC000408932793 560655825 /nfs/dbraw/zinc/65/58/25/560655825.db2.gz FAXAHVUHLRXPPO-YUMHPJSZSA-N 0 0 402.538 6.237 40 30 HKEBRN COc1cc(/C=N/c2ccc(N3CCOCC3)cc2)ccc1OCc1cccc(F)c1 ZINC000408932795 558752656 /nfs/dbraw/zinc/75/26/56/558752656.db2.gz ZHTOAKVUKQGGCN-WPWMEQJKSA-N 0 0 420.484 5.001 40 30 HKEBRN Clc1ccc(COc2ccc(/C=N/c3ccc(N4CCOCC4)cc3)cc2)cc1 ZINC000408932797 558752689 /nfs/dbraw/zinc/75/26/89/558752689.db2.gz ZHUBVGXQCRWIFP-YZSQISJMSA-N 0 0 406.913 5.506 40 30 HKEBRN COCCCN1C(=O)/C(=C/c2cccn2-c2ccccc2)S/C1=N\c1ccccc1 ZINC000408932821 558752669 /nfs/dbraw/zinc/75/26/69/558752669.db2.gz ZMRWNNXAVHNMJU-VAIDFFMQSA-N 0 0 417.534 5.118 40 30 HKEBRN COc1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@H]4C=CC[C@@H]43)cc2)c(OC)c1 ZINC000408933797 558752600 /nfs/dbraw/zinc/75/26/00/558752600.db2.gz BLCHZHKMDDTQQI-AZSDFJNISA-N 0 0 424.544 6.589 40 30 HKEBRN COc1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@@H]4C=CC[C@H]43)cc2)c(OC)c1 ZINC000408933799 560655921 /nfs/dbraw/zinc/65/59/21/560655921.db2.gz BLCHZHKMDDTQQI-BUHDKZNPSA-N 0 0 424.544 6.589 40 30 HKEBRN COc1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@H]4C=CC[C@H]43)cc2)c(OC)c1 ZINC000408933801 560655876 /nfs/dbraw/zinc/65/58/76/560655876.db2.gz BLCHZHKMDDTQQI-DDIGFMKZSA-N 0 0 424.544 6.589 40 30 HKEBRN COc1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@@H]4C=CC[C@@H]43)cc2)c(OC)c1 ZINC000408933803 558752643 /nfs/dbraw/zinc/75/26/43/558752643.db2.gz BLCHZHKMDDTQQI-KMXMJQARSA-N 0 0 424.544 6.589 40 30 HKEBRN CCOc1cc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@H]43)cc2)ccc1O ZINC000408933813 560655903 /nfs/dbraw/zinc/65/59/03/560655903.db2.gz BMQIGNRASVDKHV-BUCCSIKXSA-N 0 0 410.517 6.368 40 30 HKEBRN CCOc1cc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@@H]43)cc2)ccc1O ZINC000408933815 560655905 /nfs/dbraw/zinc/65/59/05/560655905.db2.gz BMQIGNRASVDKHV-CLCRJXLZSA-N 0 0 410.517 6.368 40 30 HKEBRN CCOc1cc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@H]43)cc2)ccc1O ZINC000408933817 558752659 /nfs/dbraw/zinc/75/26/59/558752659.db2.gz BMQIGNRASVDKHV-PUASABTGSA-N 0 0 410.517 6.368 40 30 HKEBRN CCOc1cc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@@H]43)cc2)ccc1O ZINC000408933818 558752671 /nfs/dbraw/zinc/75/26/71/558752671.db2.gz BMQIGNRASVDKHV-UHTNZBAESA-N 0 0 410.517 6.368 40 30 HKEBRN COc1cc(C=NNc2ccc(C(F)(F)F)cc2)ccc1OCc1ccc(F)cc1 ZINC000408934581 560655895 /nfs/dbraw/zinc/65/58/95/560655895.db2.gz LYKRCQLIFNJEHF-WKIKZPBSSA-N 0 0 418.390 5.878 40 30 HKEBRN C#CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@H]43)cc2)cc1 ZINC000408934634 558753413 /nfs/dbraw/zinc/75/34/13/558753413.db2.gz BLUGSHLHQDKZBJ-ANMKHLNKSA-N 0 0 404.513 6.276 40 30 HKEBRN C#CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@@H]43)cc2)cc1 ZINC000408934639 560655925 /nfs/dbraw/zinc/65/59/25/560655925.db2.gz BLUGSHLHQDKZBJ-CGKZPPRLSA-N 0 0 404.513 6.276 40 30 HKEBRN C#CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@@H]43)cc2)cc1 ZINC000408934643 558753482 /nfs/dbraw/zinc/75/34/82/558753482.db2.gz BLUGSHLHQDKZBJ-OLNVZDEISA-N 0 0 404.513 6.276 40 30 HKEBRN C#CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@H]43)cc2)cc1 ZINC000408934646 560655919 /nfs/dbraw/zinc/65/59/19/560655919.db2.gz BLUGSHLHQDKZBJ-XKCZMGTLSA-N 0 0 404.513 6.276 40 30 HKEBRN CCOc1ccccc1/C=N/c1ccc([C@@H]2Nc3ccc(C)cc3[C@@H]3C=CC[C@H]32)cc1 ZINC000408934682 560655893 /nfs/dbraw/zinc/65/58/93/560655893.db2.gz BOHDZTULUFKLGE-FNLKJQLKSA-N 0 0 408.545 6.971 40 30 HKEBRN CCOc1ccccc1/C=N/c1ccc([C@@H]2Nc3ccc(C)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000408934686 558753478 /nfs/dbraw/zinc/75/34/78/558753478.db2.gz BOHDZTULUFKLGE-FXQOIFSASA-N 0 0 408.545 6.971 40 30 HKEBRN CCOc1ccccc1/C=N/c1ccc([C@@H]2Nc3ccc(C)cc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000408934689 560655890 /nfs/dbraw/zinc/65/58/90/560655890.db2.gz BOHDZTULUFKLGE-QUPGQFOSSA-N 0 0 408.545 6.971 40 30 HKEBRN CCOc1ccccc1/C=N/c1ccc([C@@H]2Nc3ccc(C)cc3[C@H]3C=CC[C@@H]32)cc1 ZINC000408934693 560655907 /nfs/dbraw/zinc/65/59/07/560655907.db2.gz BOHDZTULUFKLGE-UONORPNOSA-N 0 0 408.545 6.971 40 30 HKEBRN COCCCN1C(=O)/C(=C/c2c(F)cccc2Cl)S/C1=N\c1ccccc1 ZINC000408934803 558753229 /nfs/dbraw/zinc/75/32/29/558753229.db2.gz MOCIDUYWYFQTCE-VULXNXEXSA-N 0 0 404.894 5.120 40 30 HKEBRN CCOc1cc(/C=C2/C(=O)ON=C2C)cc(Cl)c1OCc1cccc(Cl)c1 ZINC000408935040 560655875 /nfs/dbraw/zinc/65/58/75/560655875.db2.gz CBVHTXLZTKDGSK-LZYBPNLTSA-N 0 0 406.265 5.287 40 30 HKEBRN COC(=O)c1ccc(-n2c(C)cc(/C=N\c3cccc(Cl)c3Cl)c2C)c(C)c1 ZINC000408935188 558753458 /nfs/dbraw/zinc/75/34/58/558753458.db2.gz MVXUQDYDBMXIGQ-ROTLSHHCSA-N 0 0 415.320 6.247 40 30 HKEBRN COc1cc([N+](=O)[O-])ccc1-c1ccc(C=NNc2ccc(C(F)(F)F)cc2)o1 ZINC000408935254 558753544 /nfs/dbraw/zinc/75/35/44/558753544.db2.gz NBZXMMDUKLMWEL-KSEXSDGBSA-N 0 0 405.332 5.328 40 30 HKEBRN CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@@H]43)cc2)cc1OC ZINC000408935264 560655897 /nfs/dbraw/zinc/65/58/97/560655897.db2.gz CLCFOUFJHUFPAY-AUQWLOBBSA-N 0 0 424.544 6.671 40 30 HKEBRN CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@H]43)cc2)cc1OC ZINC000408935266 558753426 /nfs/dbraw/zinc/75/34/26/558753426.db2.gz CLCFOUFJHUFPAY-NUKGNJKYSA-N 0 0 424.544 6.671 40 30 HKEBRN CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@H]43)cc2)cc1OC ZINC000408935268 558753456 /nfs/dbraw/zinc/75/34/56/558753456.db2.gz CLCFOUFJHUFPAY-PAIWINSPSA-N 0 0 424.544 6.671 40 30 HKEBRN CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@@H]43)cc2)cc1OC ZINC000408935270 560655923 /nfs/dbraw/zinc/65/59/23/560655923.db2.gz CLCFOUFJHUFPAY-TYEAGAAJSA-N 0 0 424.544 6.671 40 30 HKEBRN CCOc1cc(/C=C2/C(=O)ON=C2C)cc(Cl)c1OCc1cccc2ccccc21 ZINC000408935352 560655881 /nfs/dbraw/zinc/65/58/81/560655881.db2.gz DCHXWARTVFAVBC-RGVLZGJSSA-N 0 0 421.880 5.787 40 30 HKEBRN Cc1cc(C)cc(COc2ccc(CN=Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)c1 ZINC000408935627 560655880 /nfs/dbraw/zinc/65/58/80/560655880.db2.gz DGKDZEZARKYOIF-QRVIBDJDSA-N 0 0 420.425 5.145 40 30 HKEBRN CC1=NOC(=O)/C1=C/c1c(OCc2ccc(Br)cc2)ccc2ccccc21 ZINC000408935718 560655915 /nfs/dbraw/zinc/65/59/15/560655915.db2.gz DMUHQKCHPGWGJW-XDHOZWIPSA-N 0 0 422.278 5.497 40 30 HKEBRN COCCCN1C(=O)/C(=C/c2ccc(OC(C)C)cc2)S/C1=N\c1ccccc1 ZINC000408935846 558753739 /nfs/dbraw/zinc/75/37/39/558753739.db2.gz OGXSZBLWWDYFGI-BLOQEJBCSA-N 0 0 410.539 5.114 40 30 HKEBRN C=CCOc1ccccc1/C=N/c1ccc([C@@H]2Nc3ccc(C)cc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000408935866 558753697 /nfs/dbraw/zinc/75/36/97/558753697.db2.gz DXKBBPZJEVNKKI-CRRIZSMVSA-N 0 0 420.556 7.137 40 30 HKEBRN C=CCOc1ccccc1/C=N/c1ccc([C@@H]2Nc3ccc(C)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000408935867 558753789 /nfs/dbraw/zinc/75/37/89/558753789.db2.gz DXKBBPZJEVNKKI-IUYRTAIISA-N 0 0 420.556 7.137 40 30 HKEBRN C=CCOc1ccccc1/C=N/c1ccc([C@@H]2Nc3ccc(C)cc3[C@H]3C=CC[C@@H]32)cc1 ZINC000408935868 560656053 /nfs/dbraw/zinc/65/60/53/560656053.db2.gz DXKBBPZJEVNKKI-RUGMJDSKSA-N 0 0 420.556 7.137 40 30 HKEBRN C=CCOc1ccccc1/C=N/c1ccc([C@@H]2Nc3ccc(C)cc3[C@@H]3C=CC[C@H]32)cc1 ZINC000408935869 560656054 /nfs/dbraw/zinc/65/60/54/560656054.db2.gz DXKBBPZJEVNKKI-SBRNOXJPSA-N 0 0 420.556 7.137 40 30 HKEBRN COc1cc(/C=C2/C(=O)ON=C2C)cc(Cl)c1OCc1cccc2ccccc21 ZINC000408935880 558753700 /nfs/dbraw/zinc/75/37/00/558753700.db2.gz FAIMMFSWUHEUBH-VXLYETTFSA-N 0 0 407.853 5.397 40 30 HKEBRN COc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@H]43)cc2)c(OC)c1 ZINC000408936011 560656012 /nfs/dbraw/zinc/65/60/12/560656012.db2.gz JNUFGYRUNHKIIM-BPGOHEDJSA-N 0 0 410.517 6.281 40 30 HKEBRN COc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@@H]43)cc2)c(OC)c1 ZINC000408936013 558754024 /nfs/dbraw/zinc/75/40/24/558754024.db2.gz JNUFGYRUNHKIIM-LIZPKOKISA-N 0 0 410.517 6.281 40 30 HKEBRN COc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@H]43)cc2)c(OC)c1 ZINC000408936015 558753936 /nfs/dbraw/zinc/75/39/36/558753936.db2.gz JNUFGYRUNHKIIM-UEKPDOFISA-N 0 0 410.517 6.281 40 30 HKEBRN COc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@@H]43)cc2)c(OC)c1 ZINC000408936018 558753957 /nfs/dbraw/zinc/75/39/57/558753957.db2.gz JNUFGYRUNHKIIM-YSIKMMNKSA-N 0 0 410.517 6.281 40 30 HKEBRN Cc1cc(C=NNc2ccc(C(F)(F)F)cc2)c(C)n1-c1cc(Cl)ccc1C ZINC000408936246 560656003 /nfs/dbraw/zinc/65/60/03/560656003.db2.gz OUUBMPBXKRVLPB-ZRGSRPPYSA-N 0 0 405.851 6.521 40 30 HKEBRN COc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@H]43)cc2)cc1OC ZINC000408936604 560656052 /nfs/dbraw/zinc/65/60/52/560656052.db2.gz GYGBIYQDTOJHIR-BUCCSIKXSA-N 0 0 410.517 6.281 40 30 HKEBRN COc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@@H]43)cc2)cc1OC ZINC000408936605 558754030 /nfs/dbraw/zinc/75/40/30/558754030.db2.gz GYGBIYQDTOJHIR-CLCRJXLZSA-N 0 0 410.517 6.281 40 30 HKEBRN COc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@H]43)cc2)cc1OC ZINC000408936607 560656026 /nfs/dbraw/zinc/65/60/26/560656026.db2.gz GYGBIYQDTOJHIR-PUASABTGSA-N 0 0 410.517 6.281 40 30 HKEBRN COc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@@H]43)cc2)cc1OC ZINC000408936610 558753947 /nfs/dbraw/zinc/75/39/47/558753947.db2.gz GYGBIYQDTOJHIR-UHTNZBAESA-N 0 0 410.517 6.281 40 30 HKEBRN COC(=O)c1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@H]43)cc2)cc1 ZINC000408936982 558754059 /nfs/dbraw/zinc/75/40/59/558754059.db2.gz LUINYGCTXACLFD-DIGADCNSSA-N 0 0 408.501 6.050 40 30 HKEBRN COC(=O)c1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@H]43)cc2)cc1 ZINC000408936985 558754007 /nfs/dbraw/zinc/75/40/07/558754007.db2.gz LUINYGCTXACLFD-FUCDNFOJSA-N 0 0 408.501 6.050 40 30 HKEBRN COC(=O)c1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@@H]43)cc2)cc1 ZINC000408936986 558753985 /nfs/dbraw/zinc/75/39/85/558753985.db2.gz LUINYGCTXACLFD-MSWQHCTLSA-N 0 0 408.501 6.050 40 30 HKEBRN COC(=O)c1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@@H]43)cc2)cc1 ZINC000408936989 560655898 /nfs/dbraw/zinc/65/58/98/560655898.db2.gz LUINYGCTXACLFD-NMZQKCLGSA-N 0 0 408.501 6.050 40 30 HKEBRN COc1ccc(Cl)cc1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@H]32)cc1 ZINC000408937150 558754063 /nfs/dbraw/zinc/75/40/63/558754063.db2.gz IJLMOGTUOCXLKB-FLUDHKCKSA-N 0 0 414.936 6.926 40 30 HKEBRN COc1ccc(Cl)cc1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@H]3C=CC[C@@H]32)cc1 ZINC000408937151 558753962 /nfs/dbraw/zinc/75/39/62/558753962.db2.gz IJLMOGTUOCXLKB-SVWLEWSQSA-N 0 0 414.936 6.926 40 30 HKEBRN COc1ccc(Cl)cc1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000408937152 560656284 /nfs/dbraw/zinc/65/62/84/560656284.db2.gz IJLMOGTUOCXLKB-UWVSWQBNSA-N 0 0 414.936 6.926 40 30 HKEBRN COc1ccc(Cl)cc1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@H]3C=CC[C@H]32)cc1 ZINC000408937181 560656326 /nfs/dbraw/zinc/65/63/26/560656326.db2.gz IJLMOGTUOCXLKB-VGRWJBQPSA-N 0 0 414.936 6.926 40 30 HKEBRN CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@H]4C=CC[C@@H]43)cc2)cc1 ZINC000408937313 560656277 /nfs/dbraw/zinc/65/62/77/560656277.db2.gz ISMAHRSTHVBMLH-AYHGKFDGSA-N 0 0 408.545 6.971 40 30 HKEBRN CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@@H]4C=CC[C@H]43)cc2)cc1 ZINC000408937315 558754250 /nfs/dbraw/zinc/75/42/50/558754250.db2.gz ISMAHRSTHVBMLH-CGAIZOBYSA-N 0 0 408.545 6.971 40 30 HKEBRN CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@H]4C=CC[C@H]43)cc2)cc1 ZINC000408937317 558754303 /nfs/dbraw/zinc/75/43/03/558754303.db2.gz ISMAHRSTHVBMLH-JHCGDMRDSA-N 0 0 408.545 6.971 40 30 HKEBRN CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@@H]4C=CC[C@@H]43)cc2)cc1 ZINC000408937319 560656303 /nfs/dbraw/zinc/65/63/03/560656303.db2.gz ISMAHRSTHVBMLH-LOSAIZEKSA-N 0 0 408.545 6.971 40 30 HKEBRN C#CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@H]4C=CC[C@H]43)cc2)cc1 ZINC000408937663 558754209 /nfs/dbraw/zinc/75/42/09/558754209.db2.gz JIBQOJPJQVOUNL-FTQNGOQNSA-N 0 0 418.540 6.584 40 30 HKEBRN C#CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@@H]4C=CC[C@H]43)cc2)cc1 ZINC000408937664 560656468 /nfs/dbraw/zinc/65/64/68/560656468.db2.gz JIBQOJPJQVOUNL-IASQXJLISA-N 0 0 418.540 6.584 40 30 HKEBRN C#CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@H]4C=CC[C@@H]43)cc2)cc1 ZINC000408937665 558754255 /nfs/dbraw/zinc/75/42/55/558754255.db2.gz JIBQOJPJQVOUNL-REAXAJHASA-N 0 0 418.540 6.584 40 30 HKEBRN C#CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@@H]4C=CC[C@@H]43)cc2)cc1 ZINC000408937666 560656436 /nfs/dbraw/zinc/65/64/36/560656436.db2.gz JIBQOJPJQVOUNL-SACFXMDXSA-N 0 0 418.540 6.584 40 30 HKEBRN CC1=NOC(=O)/C1=C/c1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc21 ZINC000408937758 558754241 /nfs/dbraw/zinc/75/42/41/558754241.db2.gz JTGOETVFNNQYHZ-WOJGMQOQSA-N 0 0 412.272 6.042 40 30 HKEBRN Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(/N=C/c3ccc4c(c3)OCO4)cc1)N2 ZINC000408937777 560656422 /nfs/dbraw/zinc/65/64/22/560656422.db2.gz OTLVXDXFNIVNHY-JZMDYQBVSA-N 0 0 408.501 6.301 40 30 HKEBRN Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(/N=C/c3ccc4c(c3)OCO4)cc1)N2 ZINC000408937780 558754194 /nfs/dbraw/zinc/75/41/94/558754194.db2.gz OTLVXDXFNIVNHY-LOSRTSJTSA-N 0 0 408.501 6.301 40 30 HKEBRN Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(/N=C/c3ccc4c(c3)OCO4)cc1)N2 ZINC000408937782 560656456 /nfs/dbraw/zinc/65/64/56/560656456.db2.gz OTLVXDXFNIVNHY-MPLDYXJRSA-N 0 0 408.501 6.301 40 30 HKEBRN Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(/N=C/c3ccc4c(c3)OCO4)cc1)N2 ZINC000408937784 558754324 /nfs/dbraw/zinc/75/43/24/558754324.db2.gz OTLVXDXFNIVNHY-RLIDRAASSA-N 0 0 408.501 6.301 40 30 HKEBRN COC(=O)c1ccccc1-n1c(C)cc(C=NNc2ccc(C(F)(F)F)cc2)c1C ZINC000408937915 558754322 /nfs/dbraw/zinc/75/43/22/558754322.db2.gz RDCPTKRNZPVYDK-ZMFRSBBQSA-N 0 0 415.415 5.346 40 30 HKEBRN C=CCOc1ccccc1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@H]32)cc1 ZINC000408937931 558754228 /nfs/dbraw/zinc/75/42/28/558754228.db2.gz JZUKMPAEQXFGOQ-NMVMYQKISA-N 0 0 406.529 6.829 40 30 HKEBRN C=CCOc1ccccc1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@H]3C=CC[C@@H]32)cc1 ZINC000408937934 558754267 /nfs/dbraw/zinc/75/42/67/558754267.db2.gz JZUKMPAEQXFGOQ-QAJCSVGLSA-N 0 0 406.529 6.829 40 30 HKEBRN C=CCOc1ccccc1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000408937937 560656459 /nfs/dbraw/zinc/65/64/59/560656459.db2.gz JZUKMPAEQXFGOQ-RGXUTEJNSA-N 0 0 406.529 6.829 40 30 HKEBRN C=CCOc1ccccc1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@H]3C=CC[C@H]32)cc1 ZINC000408937940 558754262 /nfs/dbraw/zinc/75/42/62/558754262.db2.gz JZUKMPAEQXFGOQ-WVCVUWQZSA-N 0 0 406.529 6.829 40 30 HKEBRN CCOc1cc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@H]4C=CC[C@H]43)cc2)ccc1O ZINC000408938852 558754469 /nfs/dbraw/zinc/75/44/69/558754469.db2.gz RTJWYPYYAGIYFR-CTAYAHSISA-N 0 0 424.544 6.676 40 30 HKEBRN CCOc1cc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@H]4C=CC[C@@H]43)cc2)ccc1O ZINC000408938854 558754520 /nfs/dbraw/zinc/75/45/20/558754520.db2.gz RTJWYPYYAGIYFR-FMFBFICYSA-N 0 0 424.544 6.676 40 30 HKEBRN CCOc1cc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@@H]4C=CC[C@@H]43)cc2)ccc1O ZINC000408938858 560656249 /nfs/dbraw/zinc/65/62/49/560656249.db2.gz RTJWYPYYAGIYFR-IUTUEQCBSA-N 0 0 424.544 6.676 40 30 HKEBRN CCOc1cc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@@H]4C=CC[C@H]43)cc2)ccc1O ZINC000408938862 558754559 /nfs/dbraw/zinc/75/45/59/558754559.db2.gz RTJWYPYYAGIYFR-OSMVQZBISA-N 0 0 424.544 6.676 40 30 HKEBRN CCOc1cc(/C=C2/C(=O)ON=C2C)cc(Cl)c1OCc1ccccc1Cl ZINC000408939090 560656257 /nfs/dbraw/zinc/65/62/57/560656257.db2.gz LQFBLTUPMUQNQD-OVCLIPMQSA-N 0 0 406.265 5.287 40 30 HKEBRN COc1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@H]4C=CC[C@H]43)cc2)cc1OC ZINC000408939093 558754539 /nfs/dbraw/zinc/75/45/39/558754539.db2.gz LSPDPMMRJBHDNW-CTAYAHSISA-N 0 0 424.544 6.589 40 30 HKEBRN COc1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@H]4C=CC[C@@H]43)cc2)cc1OC ZINC000408939095 558754488 /nfs/dbraw/zinc/75/44/88/558754488.db2.gz LSPDPMMRJBHDNW-FMFBFICYSA-N 0 0 424.544 6.589 40 30 HKEBRN COc1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@@H]4C=CC[C@@H]43)cc2)cc1OC ZINC000408939098 558754535 /nfs/dbraw/zinc/75/45/35/558754535.db2.gz LSPDPMMRJBHDNW-IUTUEQCBSA-N 0 0 424.544 6.589 40 30 HKEBRN COc1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@@H]4C=CC[C@H]43)cc2)cc1OC ZINC000408939101 558754417 /nfs/dbraw/zinc/75/44/17/558754417.db2.gz LSPDPMMRJBHDNW-OSMVQZBISA-N 0 0 424.544 6.589 40 30 HKEBRN CC1=NOC(=O)/C1=C/c1ccc(OCc2cccc3ccccc32)c(Br)c1 ZINC000408939145 560656226 /nfs/dbraw/zinc/65/62/26/560656226.db2.gz LTTBDFPXSLRKEM-YBFXNURJSA-N 0 0 422.278 5.497 40 30 HKEBRN Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(/N=C/c3cc4ccccc4[nH]3)cc1)N2 ZINC000408939488 558754480 /nfs/dbraw/zinc/75/44/80/558754480.db2.gz STCYRRRJCWRQAG-BUHDKZNPSA-N 0 0 403.529 7.053 40 30 HKEBRN Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(/N=C/c3cc4ccccc4[nH]3)cc1)N2 ZINC000408939505 560656248 /nfs/dbraw/zinc/65/62/48/560656248.db2.gz STCYRRRJCWRQAG-DETXVDATSA-N 0 0 403.529 7.053 40 30 HKEBRN Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(/N=C/c3cc4ccccc4[nH]3)cc1)N2 ZINC000408939507 558754508 /nfs/dbraw/zinc/75/45/08/558754508.db2.gz STCYRRRJCWRQAG-KMXMJQARSA-N 0 0 403.529 7.053 40 30 HKEBRN Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(/N=C/c3cc4ccccc4[nH]3)cc1)N2 ZINC000408939509 558754530 /nfs/dbraw/zinc/75/45/30/558754530.db2.gz STCYRRRJCWRQAG-YDUMZBCTSA-N 0 0 403.529 7.053 40 30 HKEBRN Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(/N=C/c3ccc(C(C)C)cc3)cc1)N2 ZINC000408939546 560656258 /nfs/dbraw/zinc/65/62/58/560656258.db2.gz SVPVYBGMUTVUCY-IUMSMFKDSA-N 0 0 406.573 7.696 40 30 HKEBRN Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(/N=C/c3ccc(C(C)C)cc3)cc1)N2 ZINC000408939555 560656240 /nfs/dbraw/zinc/65/62/40/560656240.db2.gz SVPVYBGMUTVUCY-MRLLXURMSA-N 0 0 406.573 7.696 40 30 HKEBRN Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(/N=C/c3ccc(C(C)C)cc3)cc1)N2 ZINC000408939559 558754517 /nfs/dbraw/zinc/75/45/17/558754517.db2.gz SVPVYBGMUTVUCY-ROLSTHPJSA-N 0 0 406.573 7.696 40 30 HKEBRN Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(/N=C/c3ccc(C(C)C)cc3)cc1)N2 ZINC000408939564 558754452 /nfs/dbraw/zinc/75/44/52/558754452.db2.gz SVPVYBGMUTVUCY-SGHUBIRESA-N 0 0 406.573 7.696 40 30 HKEBRN Cc1ccc(-c2ccc(C=NNc3ccc(C(F)(F)F)cc3)o2)c(Br)c1 ZINC000408939620 560656244 /nfs/dbraw/zinc/65/62/44/560656244.db2.gz TUOQTOIUBUTUDQ-BHGWPJFGSA-N 0 0 423.232 6.482 40 30 HKEBRN C#CCOc1ccccc1/C=N/c1ccc([C@@H]2Nc3ccc(C)cc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000408939622 558754512 /nfs/dbraw/zinc/75/45/12/558754512.db2.gz NDIXPJAWPROJAV-CRRIZSMVSA-N 0 0 418.540 6.584 40 30 HKEBRN C#CCOc1ccccc1/C=N/c1ccc([C@@H]2Nc3ccc(C)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000408939624 558754438 /nfs/dbraw/zinc/75/44/38/558754438.db2.gz NDIXPJAWPROJAV-IUYRTAIISA-N 0 0 418.540 6.584 40 30 HKEBRN C#CCOc1ccccc1/C=N/c1ccc([C@@H]2Nc3ccc(C)cc3[C@H]3C=CC[C@@H]32)cc1 ZINC000408939629 558754728 /nfs/dbraw/zinc/75/47/28/558754728.db2.gz NDIXPJAWPROJAV-RUGMJDSKSA-N 0 0 418.540 6.584 40 30 HKEBRN C#CCOc1ccccc1/C=N/c1ccc([C@@H]2Nc3ccc(C)cc3[C@@H]3C=CC[C@H]32)cc1 ZINC000408939631 560656251 /nfs/dbraw/zinc/65/62/51/560656251.db2.gz NDIXPJAWPROJAV-SBRNOXJPSA-N 0 0 418.540 6.584 40 30 HKEBRN CCn1cccc1/C=C1\S/C(=N\Cc2ccccc2)N(Cc2ccccc2)C1=O ZINC000408939729 560656254 /nfs/dbraw/zinc/65/62/54/560656254.db2.gz UDAREZDXRFHLND-WMOWQXFYSA-N 0 0 401.535 5.181 40 30 HKEBRN O=[N+]([O-])c1cccc(COc2ccccc2C=NNc2ccc(C(F)(F)F)cc2)c1 ZINC000408939768 560656207 /nfs/dbraw/zinc/65/62/07/560656207.db2.gz UHXOEWFBOPPKKY-MXAYSNPKSA-N 0 0 415.371 5.639 40 30 HKEBRN COc1cc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@@H]4C=CC[C@@H]43)cc2)ccc1O ZINC000408939943 560656259 /nfs/dbraw/zinc/65/62/59/560656259.db2.gz NHHPBRSEIRFQFY-GPDYHGRBSA-N 0 0 410.517 6.286 40 30 HKEBRN COc1cc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@@H]4C=CC[C@H]43)cc2)ccc1O ZINC000408939944 558754709 /nfs/dbraw/zinc/75/47/09/558754709.db2.gz NHHPBRSEIRFQFY-LNUSEWDXSA-N 0 0 410.517 6.286 40 30 HKEBRN COc1cc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@H]4C=CC[C@H]43)cc2)ccc1O ZINC000408939946 560656212 /nfs/dbraw/zinc/65/62/12/560656212.db2.gz NHHPBRSEIRFQFY-LONOEGEJSA-N 0 0 410.517 6.286 40 30 HKEBRN COc1cc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@H]4C=CC[C@@H]43)cc2)ccc1O ZINC000408939948 560656205 /nfs/dbraw/zinc/65/62/05/560656205.db2.gz NHHPBRSEIRFQFY-MSMABYQDSA-N 0 0 410.517 6.286 40 30 HKEBRN COC(=O)c1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@@H]4C=CC[C@H]43)cc2)cc1 ZINC000408939974 558754665 /nfs/dbraw/zinc/75/46/65/558754665.db2.gz SZDPSAQMJJGGFC-GMTWQGPYSA-N 0 0 422.528 6.359 40 30 HKEBRN COC(=O)c1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@H]4C=CC[C@H]43)cc2)cc1 ZINC000408939978 558754659 /nfs/dbraw/zinc/75/46/59/558754659.db2.gz SZDPSAQMJJGGFC-NMTWOBBNSA-N 0 0 422.528 6.359 40 30 HKEBRN COC(=O)c1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@H]4C=CC[C@@H]43)cc2)cc1 ZINC000408939981 558754751 /nfs/dbraw/zinc/75/47/51/558754751.db2.gz SZDPSAQMJJGGFC-NVDFNMGOSA-N 0 0 422.528 6.359 40 30 HKEBRN COC(=O)c1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@@H]4C=CC[C@@H]43)cc2)cc1 ZINC000408939984 558754732 /nfs/dbraw/zinc/75/47/32/558754732.db2.gz SZDPSAQMJJGGFC-OUUXDWEYSA-N 0 0 422.528 6.359 40 30 HKEBRN FC(F)(F)c1ccc(NN=Cc2cccn2-c2ccc(Br)cc2)cc1 ZINC000408940524 560656224 /nfs/dbraw/zinc/65/62/24/560656224.db2.gz UWMXROIHLJHURK-FMCGGJTJSA-N 0 0 408.221 5.705 40 30 HKEBRN Oc1ccc(Cl)cc1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@H]3C=CC[C@@H]32)cc1 ZINC000408940731 560656266 /nfs/dbraw/zinc/65/62/66/560656266.db2.gz OPZIMJNVZBSMOX-PYYTVRKUSA-N 0 0 400.909 6.623 40 30 HKEBRN Oc1ccc(Cl)cc1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@H]32)cc1 ZINC000408940738 560656294 /nfs/dbraw/zinc/65/62/94/560656294.db2.gz OPZIMJNVZBSMOX-QSKSHKASSA-N 0 0 400.909 6.623 40 30 HKEBRN Oc1ccc(Cl)cc1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@H]3C=CC[C@H]32)cc1 ZINC000408940743 558754688 /nfs/dbraw/zinc/75/46/88/558754688.db2.gz OPZIMJNVZBSMOX-VZQTZOBLSA-N 0 0 400.909 6.623 40 30 HKEBRN Oc1ccc(Cl)cc1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000408940748 558754667 /nfs/dbraw/zinc/75/46/67/558754667.db2.gz OPZIMJNVZBSMOX-YTEYGYDXSA-N 0 0 400.909 6.623 40 30 HKEBRN FC(F)(F)c1ccc(N=NCc2cccn2-c2ccc(Br)cc2)nc1 ZINC000408940986 560656279 /nfs/dbraw/zinc/65/62/79/560656279.db2.gz JFLBCAVGRQKBCQ-KSEXSDGBSA-N 0 0 409.209 5.100 40 30 HKEBRN FC(F)(F)c1ccc(NN=Cc2ccccc2OCc2ccc3ccccc3c2)cc1 ZINC000408941573 560656287 /nfs/dbraw/zinc/65/62/87/560656287.db2.gz WEUKINBMUDOQOV-MWLSYYOVSA-N 0 0 420.434 6.884 40 30 HKEBRN CCCOc1ccccc1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@H]32)cc1 ZINC000408941710 558754693 /nfs/dbraw/zinc/75/46/93/558754693.db2.gz PMSNEGZKFDHDQV-NMVMYQKISA-N 0 0 408.545 7.053 40 30 HKEBRN CCCOc1ccccc1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@H]3C=CC[C@@H]32)cc1 ZINC000408941713 560656301 /nfs/dbraw/zinc/65/63/01/560656301.db2.gz PMSNEGZKFDHDQV-QAJCSVGLSA-N 0 0 408.545 7.053 40 30 HKEBRN CCCOc1ccccc1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000408941716 560656286 /nfs/dbraw/zinc/65/62/86/560656286.db2.gz PMSNEGZKFDHDQV-RGXUTEJNSA-N 0 0 408.545 7.053 40 30 HKEBRN CCCOc1ccccc1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@H]3C=CC[C@H]32)cc1 ZINC000408941719 560656274 /nfs/dbraw/zinc/65/62/74/560656274.db2.gz PMSNEGZKFDHDQV-WVCVUWQZSA-N 0 0 408.545 7.053 40 30 HKEBRN C#CCOc1ccccc1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@H]32)cc1 ZINC000408941722 560656413 /nfs/dbraw/zinc/65/64/13/560656413.db2.gz PMUVESOKESNSIM-NMVMYQKISA-N 0 0 404.513 6.276 40 30 HKEBRN C#CCOc1ccccc1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@H]3C=CC[C@@H]32)cc1 ZINC000408941724 560656448 /nfs/dbraw/zinc/65/64/48/560656448.db2.gz PMUVESOKESNSIM-QAJCSVGLSA-N 0 0 404.513 6.276 40 30 HKEBRN C#CCOc1ccccc1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000408941726 560656450 /nfs/dbraw/zinc/65/64/50/560656450.db2.gz PMUVESOKESNSIM-RGXUTEJNSA-N 0 0 404.513 6.276 40 30 HKEBRN C#CCOc1ccccc1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@H]3C=CC[C@H]32)cc1 ZINC000408941729 558754644 /nfs/dbraw/zinc/75/46/44/558754644.db2.gz PMUVESOKESNSIM-WVCVUWQZSA-N 0 0 404.513 6.276 40 30 HKEBRN Cc1cc(C)cc(COc2ccccc2CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC000408942333 558754655 /nfs/dbraw/zinc/75/46/55/558754655.db2.gz QKEXUXPVOHFSTP-QRVIBDJDSA-N 0 0 420.425 5.145 40 30 HKEBRN CCCOc1ccccc1/C=N/c1ccc([C@@H]2Nc3ccc(C)cc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000408942359 558754718 /nfs/dbraw/zinc/75/47/18/558754718.db2.gz QMCRBOUAITYHKE-CRRIZSMVSA-N 0 0 422.572 7.361 40 30 HKEBRN CCCOc1ccccc1/C=N/c1ccc([C@@H]2Nc3ccc(C)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000408942361 560656628 /nfs/dbraw/zinc/65/66/28/560656628.db2.gz QMCRBOUAITYHKE-IUYRTAIISA-N 0 0 422.572 7.361 40 30 HKEBRN CCCOc1ccccc1/C=N/c1ccc([C@@H]2Nc3ccc(C)cc3[C@H]3C=CC[C@@H]32)cc1 ZINC000408942362 560656682 /nfs/dbraw/zinc/65/66/82/560656682.db2.gz QMCRBOUAITYHKE-RUGMJDSKSA-N 0 0 422.572 7.361 40 30 HKEBRN CCCOc1ccccc1/C=N/c1ccc([C@@H]2Nc3ccc(C)cc3[C@@H]3C=CC[C@H]32)cc1 ZINC000408942365 558754742 /nfs/dbraw/zinc/75/47/42/558754742.db2.gz QMCRBOUAITYHKE-SBRNOXJPSA-N 0 0 422.572 7.361 40 30 HKEBRN CCCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@H]43)cc2)cc1 ZINC000408943350 558754653 /nfs/dbraw/zinc/75/46/53/558754653.db2.gz SAYSFDXAAGYNBI-ANMKHLNKSA-N 0 0 408.545 7.053 40 30 HKEBRN CCCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@@H]43)cc2)cc1 ZINC000408943351 558754721 /nfs/dbraw/zinc/75/47/21/558754721.db2.gz SAYSFDXAAGYNBI-CGKZPPRLSA-N 0 0 408.545 7.053 40 30 HKEBRN CCCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@@H]43)cc2)cc1 ZINC000408943352 558754663 /nfs/dbraw/zinc/75/46/63/558754663.db2.gz SAYSFDXAAGYNBI-OLNVZDEISA-N 0 0 408.545 7.053 40 30 HKEBRN CCCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@H]43)cc2)cc1 ZINC000408943353 558754673 /nfs/dbraw/zinc/75/46/73/558754673.db2.gz SAYSFDXAAGYNBI-XKCZMGTLSA-N 0 0 408.545 7.053 40 30 HKEBRN CCOc1cc(/C=C2/C(=O)ON=C2C)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408943416 560656673 /nfs/dbraw/zinc/65/66/73/560656673.db2.gz SEAAMLRRQGBEST-LZYBPNLTSA-N 0 0 406.265 5.287 40 30 HKEBRN Cc1cc(C=NNc2ccc(C(F)(F)F)cc2)c(C)n1-c1ccc2ccccc2c1 ZINC000408943870 558755002 /nfs/dbraw/zinc/75/50/02/558755002.db2.gz ZHEUTXRVERWCGP-MBTHVWNTSA-N 0 0 407.439 6.712 40 30 HKEBRN C=CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@H]4C=CC[C@H]43)cc2)cc1 ZINC000408944720 558754893 /nfs/dbraw/zinc/75/48/93/558754893.db2.gz UVKZDQQIGCVDRR-FTQNGOQNSA-N 0 0 420.556 7.137 40 30 HKEBRN C=CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@@H]4C=CC[C@H]43)cc2)cc1 ZINC000408944722 558754882 /nfs/dbraw/zinc/75/48/82/558754882.db2.gz UVKZDQQIGCVDRR-IASQXJLISA-N 0 0 420.556 7.137 40 30 HKEBRN C=CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@H]4C=CC[C@@H]43)cc2)cc1 ZINC000408944724 558754997 /nfs/dbraw/zinc/75/49/97/558754997.db2.gz UVKZDQQIGCVDRR-REAXAJHASA-N 0 0 420.556 7.137 40 30 HKEBRN C=CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@@H]4C=CC[C@@H]43)cc2)cc1 ZINC000408944726 560656483 /nfs/dbraw/zinc/65/64/83/560656483.db2.gz UVKZDQQIGCVDRR-SACFXMDXSA-N 0 0 420.556 7.137 40 30 HKEBRN C=CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@H]43)cc2)cc1 ZINC000408944732 558754967 /nfs/dbraw/zinc/75/49/67/558754967.db2.gz UVXWPCWZPSDNBZ-ANMKHLNKSA-N 0 0 406.529 6.829 40 30 HKEBRN C=CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@@H]43)cc2)cc1 ZINC000408944733 560656539 /nfs/dbraw/zinc/65/65/39/560656539.db2.gz UVXWPCWZPSDNBZ-CGKZPPRLSA-N 0 0 406.529 6.829 40 30 HKEBRN C=CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@@H]43)cc2)cc1 ZINC000408944736 558754981 /nfs/dbraw/zinc/75/49/81/558754981.db2.gz UVXWPCWZPSDNBZ-OLNVZDEISA-N 0 0 406.529 6.829 40 30 HKEBRN C=CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@H]43)cc2)cc1 ZINC000408944738 560656502 /nfs/dbraw/zinc/65/65/02/560656502.db2.gz UVXWPCWZPSDNBZ-XKCZMGTLSA-N 0 0 406.529 6.829 40 30 HKEBRN Oc1ccc2ccccc2c1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@H]32)cc1 ZINC000408945186 558754868 /nfs/dbraw/zinc/75/48/68/558754868.db2.gz WDFOHHADARMGPQ-JISQMYCESA-N 0 0 416.524 7.123 40 30 HKEBRN Oc1ccc2ccccc2c1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000408945188 558755199 /nfs/dbraw/zinc/75/51/99/558755199.db2.gz WDFOHHADARMGPQ-YJVAXANFSA-N 0 0 416.524 7.123 40 30 HKEBRN Oc1ccc2ccccc2c1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@H]3C=CC[C@@H]32)cc1 ZINC000408945190 558755261 /nfs/dbraw/zinc/75/52/61/558755261.db2.gz WDFOHHADARMGPQ-YUMWLGHMSA-N 0 0 416.524 7.123 40 30 HKEBRN Oc1ccc2ccccc2c1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@H]3C=CC[C@H]32)cc1 ZINC000408945192 560656535 /nfs/dbraw/zinc/65/65/35/560656535.db2.gz WDFOHHADARMGPQ-ZSJALTFISA-N 0 0 416.524 7.123 40 30 HKEBRN CC1=NOC(=O)/C1=C/c1cc(Br)ccc1OCc1cccc2ccccc21 ZINC000408945473 560656549 /nfs/dbraw/zinc/65/65/49/560656549.db2.gz WMRZGJYZYJSQBG-UDWIEESQSA-N 0 0 422.278 5.497 40 30 HKEBRN Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(/N=C/c3cc(Cl)ccc3O)cc1)N2 ZINC000408945775 558755267 /nfs/dbraw/zinc/75/52/67/558755267.db2.gz XHNNCTIKEIHCFW-GOYBLYOSSA-N 0 0 414.936 6.931 40 30 HKEBRN Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(/N=C/c3cc(Cl)ccc3O)cc1)N2 ZINC000408945777 558755255 /nfs/dbraw/zinc/75/52/55/558755255.db2.gz XHNNCTIKEIHCFW-GZCWKIMISA-N 0 0 414.936 6.931 40 30 HKEBRN Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(/N=C/c3cc(Cl)ccc3O)cc1)N2 ZINC000408945779 558755179 /nfs/dbraw/zinc/75/51/79/558755179.db2.gz XHNNCTIKEIHCFW-KHPGZEOPSA-N 0 0 414.936 6.931 40 30 HKEBRN Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(/N=C/c3cc(Cl)ccc3O)cc1)N2 ZINC000408945781 560656477 /nfs/dbraw/zinc/65/64/77/560656477.db2.gz XHNNCTIKEIHCFW-WDNMFVQISA-N 0 0 414.936 6.931 40 30 HKEBRN CCCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@H]4C=CC[C@H]43)cc2)cc1 ZINC000408946117 558755252 /nfs/dbraw/zinc/75/52/52/558755252.db2.gz XZFWWHQJLBCCQN-FTQNGOQNSA-N 0 0 422.572 7.361 40 30 HKEBRN CCCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@@H]4C=CC[C@H]43)cc2)cc1 ZINC000408946118 560656544 /nfs/dbraw/zinc/65/65/44/560656544.db2.gz XZFWWHQJLBCCQN-IASQXJLISA-N 0 0 422.572 7.361 40 30 HKEBRN CCCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@H]4C=CC[C@@H]43)cc2)cc1 ZINC000408946119 558755259 /nfs/dbraw/zinc/75/52/59/558755259.db2.gz XZFWWHQJLBCCQN-REAXAJHASA-N 0 0 422.572 7.361 40 30 HKEBRN CCCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@@H]4C=CC[C@@H]43)cc2)cc1 ZINC000408946120 558755240 /nfs/dbraw/zinc/75/52/40/558755240.db2.gz XZFWWHQJLBCCQN-SACFXMDXSA-N 0 0 422.572 7.361 40 30 HKEBRN COc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@H]43)cc2)cc1Cl ZINC000408946585 558755193 /nfs/dbraw/zinc/75/51/93/558755193.db2.gz YYBKLYNWXRTGMO-CGJSUDSXSA-N 0 0 414.936 6.926 40 30 HKEBRN COc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@H]43)cc2)cc1Cl ZINC000408946588 558755216 /nfs/dbraw/zinc/75/52/16/558755216.db2.gz YYBKLYNWXRTGMO-GSBUYOBVSA-N 0 0 414.936 6.926 40 30 HKEBRN COc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@@H]43)cc2)cc1Cl ZINC000408946592 560656890 /nfs/dbraw/zinc/65/68/90/560656890.db2.gz YYBKLYNWXRTGMO-MJJQYWGISA-N 0 0 414.936 6.926 40 30 HKEBRN COc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@@H]43)cc2)cc1Cl ZINC000408946596 560656888 /nfs/dbraw/zinc/65/68/88/560656888.db2.gz YYBKLYNWXRTGMO-SKVPBMTMSA-N 0 0 414.936 6.926 40 30 HKEBRN Clc1ccccc1/N=C\c1cc(Br)c(I)o1 ZINC000408949226 560657136 /nfs/dbraw/zinc/65/71/36/560657136.db2.gz ACJAQJDYGWJVNA-UUASQNMZSA-N 0 0 410.436 5.051 40 30 HKEBRN Cc1ccc(N=C2NC(=O)/C(=C/c3cccn3-c3ccc(N(C)C)cc3)S2)c(C)c1 ZINC000408949231 560657077 /nfs/dbraw/zinc/65/70/77/560657077.db2.gz ADALKNCJSDHHSU-JCMHNJIXSA-N 0 0 416.550 5.052 40 30 HKEBRN Cc1oc(/N=C/c2ccc(OCc3ccc(Br)cc3)cc2)c(C#N)c1C ZINC000408949240 560657093 /nfs/dbraw/zinc/65/70/93/560657093.db2.gz FDNKHLCQZVCCNP-WYMPLXKRSA-N 0 0 409.283 5.860 40 30 HKEBRN O=C(Oc1cccc(CN=Nc2nc(-c3ccccc3)cs2)c1)c1ccccc1F ZINC000408949270 558756280 /nfs/dbraw/zinc/75/62/80/558756280.db2.gz FHLBYULJPAJPQT-AFUMVMLFSA-N 0 0 417.465 5.614 40 30 HKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3cccn3-c3ccc(C)cc3)S2)cc1 ZINC000408949290 558756449 /nfs/dbraw/zinc/75/64/49/558756449.db2.gz AMZZFYRCILQUMA-RCCKNPSSSA-N 0 0 403.507 5.076 40 30 HKEBRN C=CCn1cc(/C=C2/SC(=Nc3ccc(OCC)cc3)NC2=O)c2ccccc21 ZINC000408949328 558756523 /nfs/dbraw/zinc/75/65/23/558756523.db2.gz BAEVVMKTTQPYKQ-KGENOOAVSA-N 0 0 403.507 5.118 40 30 HKEBRN Brc1cc(/C=N/c2ccc(Br)cc2)oc1Br ZINC000408949332 558756461 /nfs/dbraw/zinc/75/64/61/558756461.db2.gz BARMHZMZVGQUQP-GIDUJCDVSA-N 0 0 407.887 5.318 40 30 HKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3ccc(OC(C)C)c(Cl)c3)S2)cc1 ZINC000408949616 558756671 /nfs/dbraw/zinc/75/66/71/558756671.db2.gz BOHCGQZYWNPZNI-XDHOZWIPSA-N 0 0 416.930 5.418 40 30 HKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3cn([C@H](C)CC)c4ccccc34)S2)cc1 ZINC000408949741 560656761 /nfs/dbraw/zinc/65/67/61/560656761.db2.gz BXIPTNMNWMPGNI-CAUNFOBBSA-N 0 0 419.550 5.903 40 30 HKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3cn([C@@H](C)CC)c4ccccc34)S2)cc1 ZINC000408949743 560656733 /nfs/dbraw/zinc/65/67/33/560656733.db2.gz BXIPTNMNWMPGNI-SITPEIFSSA-N 0 0 419.550 5.903 40 30 HKEBRN CN(C)c1ccc(-n2cccc2/C=C2\SC(=Nc3cccc(Cl)c3)NC2=O)cc1 ZINC000408949783 558756635 /nfs/dbraw/zinc/75/66/35/558756635.db2.gz CEPWIABFMRTXIT-ZHZULCJRSA-N 0 0 422.941 5.088 40 30 HKEBRN COc1ccc(-n2cccc2/C=C2\SC(=Nc3cc(Cl)ccc3C)NC2=O)cc1 ZINC000408949972 560656748 /nfs/dbraw/zinc/65/67/48/560656748.db2.gz CVBQNVIMEZELMU-MOSHPQCFSA-N 0 0 423.925 5.339 40 30 HKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3cccn3-c3ccc(C)cc3C)S2)cc1 ZINC000408950136 560656702 /nfs/dbraw/zinc/65/67/02/560656702.db2.gz DPPMKLKIOPVBHH-PXLXIMEGSA-N 0 0 417.534 5.384 40 30 HKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3cc(C(C)C)c(OC)cc3C)S2)cc1 ZINC000408950156 558756697 /nfs/dbraw/zinc/75/66/97/558756697.db2.gz DRLROQASBKTANC-FYJGNVAPSA-N 0 0 410.539 5.417 40 30 HKEBRN CCN1C(=O)/C(=C/c2cccn2-c2ccc(OC)cc2)SC1=Nc1ccccc1 ZINC000408950454 558756673 /nfs/dbraw/zinc/75/66/73/558756673.db2.gz FEFHVBIJDCZLCY-NXZXOXKRSA-N 0 0 403.507 5.110 40 30 HKEBRN Cc1c(Cl)cccc1/N=C/c1cc(Br)c(I)o1 ZINC000408950520 560656881 /nfs/dbraw/zinc/65/68/81/560656881.db2.gz FYJSBZUYTFRZHD-OMCISZLKSA-N 0 0 424.463 5.359 40 30 HKEBRN CN(C)c1ccc(-n2cccc2/C=C2\SC(=Nc3ccc(Cl)cc3)NC2=O)cc1 ZINC000408951061 558756979 /nfs/dbraw/zinc/75/69/79/558756979.db2.gz HRTAWRILWYNBJK-ZHZULCJRSA-N 0 0 422.941 5.088 40 30 HKEBRN Cc1ccc(N=C2NC(=O)/C(=C/c3cccn3-c3ccc(N(C)C)cc3)S2)cc1C ZINC000408951183 558756965 /nfs/dbraw/zinc/75/69/65/558756965.db2.gz IAIDJQHRFWADPG-JCMHNJIXSA-N 0 0 416.550 5.052 40 30 HKEBRN CCCN1C(=O)/C(=C/c2cccn2-c2ccc(OC)cc2)SC1=Nc1ccccc1 ZINC000408951194 560656703 /nfs/dbraw/zinc/65/67/03/560656703.db2.gz ICHGSUSHJUWMMW-OUUDUQSLSA-N 0 0 417.534 5.500 40 30 HKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3ccc(OCC)c4ccccc34)S2)cc1 ZINC000408951331 560656832 /nfs/dbraw/zinc/65/68/32/560656832.db2.gz ISPUDZKTBUOCPJ-PXLXIMEGSA-N 0 0 418.518 5.529 40 30 HKEBRN Cc1oc(/N=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)c(C#N)c1C ZINC000408952055 558757519 /nfs/dbraw/zinc/75/75/19/558757519.db2.gz JSUVNGZBGCINIE-LUOAPIJWSA-N 0 0 422.315 6.829 40 30 HKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3ccc(-c4ccccc4)cc3)S2)cc1 ZINC000408952161 558757635 /nfs/dbraw/zinc/75/76/35/558757635.db2.gz KRDRPYBVRMETEU-CJLVFECKSA-N 0 0 400.503 5.644 40 30 HKEBRN COc1ccc(-n2cccc2/C=N\c2ccc(I)cc2C)cc1 ZINC000408952165 560656974 /nfs/dbraw/zinc/65/69/74/560656974.db2.gz KSJLZACWAOTDIN-BKUYFWCQSA-N 0 0 416.262 5.150 40 30 HKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3cc(Cl)c(OC)c(Cl)c3)S2)cc1 ZINC000408952205 558757575 /nfs/dbraw/zinc/75/75/75/558757575.db2.gz LIYOSUDWASZLCD-MHWRWJLKSA-N 0 0 423.321 5.292 40 30 HKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3cccn3-c3ccccc3C)S2)cc1 ZINC000408952221 560656946 /nfs/dbraw/zinc/65/69/46/560656946.db2.gz LLXRGSJKICEIJE-RCCKNPSSSA-N 0 0 403.507 5.076 40 30 HKEBRN Clc1cccc(/N=C/c2cc(Br)c(I)o2)c1 ZINC000408952940 560657054 /nfs/dbraw/zinc/65/70/54/560657054.db2.gz NHCHCIQUVPUUSX-GIDUJCDVSA-N 0 0 410.436 5.051 40 30 HKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3ccc(OC)c4ccccc34)S2)cc1 ZINC000408953080 558760040 /nfs/dbraw/zinc/76/00/40/558760040.db2.gz OHLHQPFWDMUHRY-KGENOOAVSA-N 0 0 404.491 5.139 40 30 HKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3ccc(-c4ccc(F)cc4)o3)S2)cc1 ZINC000408953374 558760149 /nfs/dbraw/zinc/76/01/49/558760149.db2.gz PAQXWUSDIHRSMM-DEDYPNTBSA-N 0 0 408.454 5.376 40 30 HKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3cccc(Oc4ccccc4)c3)S2)cc1 ZINC000408953432 558758110 /nfs/dbraw/zinc/75/81/10/558758110.db2.gz PNJNKAYQIWLAHU-CJLVFECKSA-N 0 0 416.502 5.769 40 30 HKEBRN Cc1cccc(N=C2NC(=O)/C(=C/c3cccn3-c3ccc(N(C)C)cc3)S2)c1C ZINC000408954014 558762057 /nfs/dbraw/zinc/76/20/57/558762057.db2.gz RLQLWBMYMKHIGV-JCMHNJIXSA-N 0 0 416.550 5.052 40 30 HKEBRN CCN1C(=O)/C(=C/c2cccn2-c2ccc(OC)cc2)SC1=Nc1ccc(F)cc1 ZINC000408954189 558762360 /nfs/dbraw/zinc/76/23/60/558762360.db2.gz RTCFRXNTGPKYFE-XOLKAKTPSA-N 0 0 421.497 5.249 40 30 HKEBRN COc1ccc(-n2cccc2/C=C2\SC(=Nc3c(C)cccc3C)N(C)C2=O)cc1 ZINC000408954244 558762285 /nfs/dbraw/zinc/76/22/85/558762285.db2.gz SCPQMWIIWVRSSF-AQAUNXFGSA-N 0 0 417.534 5.337 40 30 HKEBRN CN(C)c1ccc(-n2cccc2/C=N/c2ccc(-c3cc4ccccc4o3)cc2)cc1 ZINC000408954276 558762314 /nfs/dbraw/zinc/76/23/14/558762314.db2.gz SHOFXCRBLNYZEU-TURZUDJPSA-N 0 0 405.501 6.707 40 30 HKEBRN CN(C)c1ccc(-n2cccc2/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1 ZINC000408954448 560657335 /nfs/dbraw/zinc/65/73/35/560657335.db2.gz SZXIJSXMZCAHRR-TWKHWXDSSA-N 0 0 423.604 6.762 40 30 HKEBRN COc1ccc(-n2cccc2/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1 ZINC000408954744 558762481 /nfs/dbraw/zinc/76/24/81/558762481.db2.gz UXZOXJOPXTZIIX-VUTHCHCSSA-N 0 0 410.561 6.704 40 30 HKEBRN CC(C)c1ccccc1/N=C/c1cc(Br)c(I)o1 ZINC000408954814 558762752 /nfs/dbraw/zinc/76/27/52/558762752.db2.gz VIRQXBJYFSIIJJ-CAOOACKPSA-N 0 0 418.072 5.521 40 30 HKEBRN COc1ccc(-n2cccc2/C=C2\SC(=Nc3ccc(C)c(C)c3)N(C)C2=O)cc1 ZINC000408954816 560657294 /nfs/dbraw/zinc/65/72/94/560657294.db2.gz VIWKHQBTUYKADY-IBORXNHRSA-N 0 0 417.534 5.337 40 30 HKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3cccn3-c3cccc(C)c3)S2)cc1 ZINC000408955069 558764878 /nfs/dbraw/zinc/76/48/78/558764878.db2.gz VVPJGIFWTUQKTH-RCCKNPSSSA-N 0 0 403.507 5.076 40 30 HKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3cccn3-c3ccc(C)c(C)c3)S2)cc1 ZINC000408955075 558764859 /nfs/dbraw/zinc/76/48/59/558764859.db2.gz VWLQCIWALMINPB-PXLXIMEGSA-N 0 0 417.534 5.384 40 30 HKEBRN COc1ccc(-n2cccc2/C=C2\SC(=Nc3ccc(Cl)cc3)NC2=O)cc1 ZINC000408955086 558764897 /nfs/dbraw/zinc/76/48/97/558764897.db2.gz VYYBYHOJXATJJQ-UYRXBGFRSA-N 0 0 409.898 5.031 40 30 HKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3cccn3-c3cccc(C)c3C)S2)cc1 ZINC000408955105 558764888 /nfs/dbraw/zinc/76/48/88/558764888.db2.gz WFTWYGCCGRCMKV-PXLXIMEGSA-N 0 0 417.534 5.384 40 30 HKEBRN Cc1oc(/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)c(C#N)c1C ZINC000408955176 558765110 /nfs/dbraw/zinc/76/51/10/558765110.db2.gz OEGCONOQOKPTNX-ZVBGSRNCSA-N 0 0 414.215 5.449 40 30 HKEBRN COc1ccc(-n2cccc2/C=C2\SC(=Nc3cc(C)cc(C)c3)N(C)C2=O)cc1 ZINC000408955282 558765067 /nfs/dbraw/zinc/76/50/67/558765067.db2.gz WTJFVWZTDBZXQH-IBORXNHRSA-N 0 0 417.534 5.337 40 30 HKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3cn(C(C)C)c4ccccc34)S2)cc1 ZINC000408955436 558765024 /nfs/dbraw/zinc/76/50/24/558765024.db2.gz XGJMZCSZFNYKCB-FYJGNVAPSA-N 0 0 405.523 5.513 40 30 HKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3cc(C(C)C)c(OCC)cc3C)S2)cc1 ZINC000408955451 558765172 /nfs/dbraw/zinc/76/51/72/558765172.db2.gz XHYKFDVCIFONEI-HYARGMPZSA-N 0 0 424.566 5.807 40 30 HKEBRN Cc1ccc(/N=C/c2cc(Br)c(I)o2)cc1Cl ZINC000408955602 560657427 /nfs/dbraw/zinc/65/74/27/560657427.db2.gz XVGUFHLYUWGMAE-OMCISZLKSA-N 0 0 424.463 5.359 40 30 HKEBRN COc1ccc(-n2cccc2/C=C2\SC(=Nc3ccc(Cl)cc3)N(C)C2=O)cc1 ZINC000408955655 558765387 /nfs/dbraw/zinc/76/53/87/558765387.db2.gz YBUVUWBRLPZKBX-OMSSWJLUSA-N 0 0 423.925 5.373 40 30 HKEBRN COc1ccc(-n2cccc2/C=C2\SC(=Nc3cccc(Cl)c3)NC2=O)cc1 ZINC000408955715 560657185 /nfs/dbraw/zinc/65/71/85/560657185.db2.gz YRMBXIZHBVCWHL-UYRXBGFRSA-N 0 0 409.898 5.031 40 30 HKEBRN Cc1ccc(/N=C/c2cc(Br)c(I)o2)cc1C ZINC000408955755 558765461 /nfs/dbraw/zinc/76/54/61/558765461.db2.gz YZHWMELNODBIFB-FRKPEAEDSA-N 0 0 404.045 5.014 40 30 HKEBRN Cc1cc(C)cc(N=C2NC(=O)/C(=C/c3cccn3-c3ccc(N(C)C)cc3)S2)c1 ZINC000408956081 560657322 /nfs/dbraw/zinc/65/73/22/560657322.db2.gz ZXOWQMNBFADFID-JCMHNJIXSA-N 0 0 416.550 5.052 40 30 HKEBRN Cc1oc(/N=C/c2ccc(OCc3ccccc3)c(Br)c2)c(C#N)c1C ZINC000408958189 558766617 /nfs/dbraw/zinc/76/66/17/558766617.db2.gz XPICLMRGKDQUMQ-WYMPLXKRSA-N 0 0 409.283 5.860 40 30 HKEBRN CCOc1ccc(N=C2S/C(=C\c3ccc(N4CCCC4)cc3C)C(=O)N2C)cc1 ZINC000408959560 560657562 /nfs/dbraw/zinc/65/75/62/560657562.db2.gz AZHOVUCCHYYPNB-HNYZTYFESA-N 0 0 421.566 5.228 40 30 HKEBRN CN1C(=O)/C(=C/c2ccc(N3CCCC3)cc2)SC1=Nc1ccc2ncccc2c1 ZINC000408959561 560657569 /nfs/dbraw/zinc/65/75/69/560657569.db2.gz AZLCHZUJNDOCNB-DRIWLZCMSA-N 0 0 414.534 5.069 40 30 HKEBRN CCN1C(=O)/C(=C/c2ccc(N3CCCC3)cc2)SC1=Nc1ccc(Cl)cc1 ZINC000408959620 560657610 /nfs/dbraw/zinc/65/76/10/560657610.db2.gz CCOPWSHMISHHCB-OIBHPTRJSA-N 0 0 411.958 5.564 40 30 HKEBRN CCN1C(=O)/C(=C/c2ccc(N3CCCCC3)cc2)SC1=Nc1ccc(OC)cc1 ZINC000408959640 560657599 /nfs/dbraw/zinc/65/75/99/560657599.db2.gz CJWYBOFAXXDCQA-OUUDUQSLSA-N 0 0 421.566 5.309 40 30 HKEBRN CCc1cccc(C)c1-n1c(C)cc(CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1C ZINC000408959649 560657583 /nfs/dbraw/zinc/65/75/83/560657583.db2.gz CNOYGIJBPMYECC-YDZHTSKRSA-N 0 0 421.457 5.227 40 30 HKEBRN CCCCN1C(=O)/C(=C/c2ccc(N3CCCCC3)cc2)SC1=Nc1ccccc1 ZINC000408959667 560657538 /nfs/dbraw/zinc/65/75/38/560657538.db2.gz CVGFVNSBEJYCEH-OZJHTRJKSA-N 0 0 419.594 6.081 40 30 HKEBRN Cc1ccc(N=C2S/C(=C\c3ccc(N4CCCC4)cc3C)C(=O)N2C)cc1C ZINC000408959782 560657602 /nfs/dbraw/zinc/65/76/02/560657602.db2.gz FUWFQSWBBNDKCO-IBORXNHRSA-N 0 0 405.567 5.446 40 30 HKEBRN O=C1NC(=Nc2cccc(Cl)c2Cl)S/C1=C\c1ccc(N2CCCC2)cc1 ZINC000408959801 558767567 /nfs/dbraw/zinc/76/75/67/558767567.db2.gz GCKKMAWQIADUGU-ATVHPVEESA-N 0 0 418.349 5.485 40 30 HKEBRN Cc1cc(/N=C\c2ccc(N3CCCC3)cc2C)ccc1I ZINC000408959807 558767571 /nfs/dbraw/zinc/76/75/71/558767571.db2.gz GDWUPOQWTFCLSI-BKUYFWCQSA-N 0 0 404.295 5.259 40 30 HKEBRN CC[C@H](C)Oc1ccc(/C=C2/SC(=Nc3cccc(Cl)c3Cl)NC2=O)cc1 ZINC000408959929 560657652 /nfs/dbraw/zinc/65/76/52/560657652.db2.gz ARQGHZLODCLCOL-OOIIIRTPSA-N 0 0 421.349 6.062 40 30 HKEBRN CC[C@@H](C)Oc1ccc(/C=C2/SC(=Nc3cccc(Cl)c3Cl)NC2=O)cc1 ZINC000408959930 560657681 /nfs/dbraw/zinc/65/76/81/560657681.db2.gz ARQGHZLODCLCOL-PBSOMRJOSA-N 0 0 421.349 6.062 40 30 HKEBRN COc1ccc(/C=C2/SC(=Nc3cccc(Cl)c3Cl)NC2=O)c(OC)c1C ZINC000408959932 558766376 /nfs/dbraw/zinc/76/63/76/558766376.db2.gz ASPKVWJODUZAMT-OQLLNIDSSA-N 0 0 423.321 5.211 40 30 HKEBRN COc1cc(/C=C2/SC(=Nc3ccc(F)cc3)NC2=O)cc(Cl)c1OC(C)C ZINC000408959933 558766384 /nfs/dbraw/zinc/76/63/84/558766384.db2.gz ASTPWBVWIPPSAK-LICLKQGHSA-N 0 0 420.893 5.167 40 30 HKEBRN COc1cc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)cc(Cl)c1OC(C)C ZINC000408959939 560657695 /nfs/dbraw/zinc/65/76/95/560657695.db2.gz AVFHNOMHGLZQGB-WOJGMQOQSA-N 0 0 416.930 5.336 40 30 HKEBRN O=C1NC(=Nc2ccc(F)cc2)S/C1=C/c1cccc(OCc2ccccc2F)c1 ZINC000408959966 560657662 /nfs/dbraw/zinc/65/76/62/560657662.db2.gz BDVLJPUBYNPEDZ-FYJGNVAPSA-N 0 0 422.456 5.435 40 30 HKEBRN CCN1C(=O)/C(=C/c2cccn2-c2ccc(N(C)C)cc2)SC1=Nc1ccccc1 ZINC000408960036 558767367 /nfs/dbraw/zinc/76/73/67/558767367.db2.gz IGSLBIJKPAKQCO-OUUDUQSLSA-N 0 0 416.550 5.167 40 30 HKEBRN CCCN1C(=O)/C(=C/c2ccc(N3CCCCC3)cc2)SC1=Nc1ccccc1 ZINC000408960081 558767203 /nfs/dbraw/zinc/76/72/03/558767203.db2.gz JDRSUNORWCZVMI-FWSLEZFUSA-N 0 0 405.567 5.691 40 30 HKEBRN Cc1cc(C)c(N=C2S/C(=C\c3ccc(N4CCCC4)cc3C)C(=O)N2C)c(C)c1 ZINC000408960087 558767188 /nfs/dbraw/zinc/76/71/88/558767188.db2.gz JGQCESLXNTYOCV-JXJWTFEASA-N 0 0 419.594 5.754 40 30 HKEBRN CCc1cccc(C)c1-n1c(C)cc(/C=N\c2ccc(Br)cc2C)c1C ZINC000408960225 558767785 /nfs/dbraw/zinc/76/77/85/558767785.db2.gz JWCZFRQOXDPPFY-QFEZKATASA-N 0 0 409.371 6.786 40 30 HKEBRN O=C1NC(=Nc2ccc(Cl)c(Cl)c2)S/C1=C\c1ccc(N2CCCC2)cc1 ZINC000408960257 558767882 /nfs/dbraw/zinc/76/78/82/558767882.db2.gz KIQKKQCDCOVPAC-WQRHYEAKSA-N 0 0 418.349 5.485 40 30 HKEBRN O=C1NC(=Nc2cccc(Cl)c2Cl)S/C1=C/c1ccc(-c2ccccc2)o1 ZINC000408960313 560657858 /nfs/dbraw/zinc/65/78/58/560657858.db2.gz DRSPQIZIOOZCQI-GZTJUZNOSA-N 0 0 415.301 6.145 40 30 HKEBRN CCOc1cc(C)c(/C=C2/SC(=Nc3ccc(OC)cc3)NC2=O)cc1C(C)C ZINC000408960315 558767829 /nfs/dbraw/zinc/76/78/29/558767829.db2.gz DTGGDHZWOJLBHW-FYJGNVAPSA-N 0 0 410.539 5.417 40 30 HKEBRN Cc1cc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)c(C)n1-c1ccc(C)cc1C ZINC000408960319 560657783 /nfs/dbraw/zinc/65/77/83/560657783.db2.gz DUDLPSGHQMVCQY-OEAKJJBVSA-N 0 0 415.562 5.911 40 30 HKEBRN Cc1cc(C)c(N=C2S/C(=C\c3ccc(N4CCCCC4)cc3)C(=O)N2C)c(C)c1 ZINC000408960402 560657955 /nfs/dbraw/zinc/65/79/55/560657955.db2.gz LKVBKHXUJPQQEE-JUQJSGDGSA-N 0 0 419.594 5.836 40 30 HKEBRN O=C1NC(=Nc2ccc(F)cc2)S/C1=C/c1cccc(OCc2ccc(F)cc2)c1 ZINC000408960413 558767889 /nfs/dbraw/zinc/76/78/89/558767889.db2.gz FPIDNWUJSYDGBS-FYJGNVAPSA-N 0 0 422.456 5.435 40 30 HKEBRN CCc1cccc(C)c1-n1c(C)cc(CN=Nc2ccc(C(F)(F)F)cn2)c1C ZINC000408960418 558767913 /nfs/dbraw/zinc/76/79/13/558767913.db2.gz LNJXWMCCADJPKR-PPDIBHTLSA-N 0 0 400.448 5.825 40 30 HKEBRN CCCCN1C(=O)/C(=C/c2ccc(N3CCCC3)cc2C)SC1=Nc1ccccc1 ZINC000408960503 560657945 /nfs/dbraw/zinc/65/79/45/560657945.db2.gz MMUBRLAIEZTNDB-YJMOJNCUSA-N 0 0 419.594 5.999 40 30 HKEBRN Cc1c(Cl)cccc1N=C1NC(=O)/C(=C/c2ccc(N3CCCCC3)cc2)S1 ZINC000408960534 558768134 /nfs/dbraw/zinc/76/81/34/558768134.db2.gz MNXDPTINJJAIDP-ZHZULCJRSA-N 0 0 411.958 5.530 40 30 HKEBRN CCN1C(=O)/C(=C/c2ccc(N3CCCC3)cc2C)SC1=Nc1ccc(F)cc1 ZINC000408960571 558768125 /nfs/dbraw/zinc/76/81/25/558768125.db2.gz MVUSWARQWPJROD-XOLKAKTPSA-N 0 0 409.530 5.358 40 30 HKEBRN Cc1cc(N2CCCC2)ccc1/C=C1\SC(=Nc2ccc(Cl)cc2)N(C)C1=O ZINC000408960589 560657977 /nfs/dbraw/zinc/65/79/77/560657977.db2.gz MZYUEDXHDVJXCJ-OMSSWJLUSA-N 0 0 411.958 5.482 40 30 HKEBRN CCc1cccc(C)c1-n1c(C)cc(/C=N/c2cc(C(=O)OC)ccc2Cl)c1C ZINC000408960638 560657451 /nfs/dbraw/zinc/65/74/51/560657451.db2.gz NJUJDJLLIGUXMU-VULFUBBASA-N 0 0 408.929 6.156 40 30 HKEBRN Cc1cccc(C)c1N=C1S/C(=C\c2ccc(N3CCCCC3)cc2)C(=O)N1C ZINC000408960681 558768257 /nfs/dbraw/zinc/76/82/57/558768257.db2.gz NSYHLDDGSURLDX-SNSRFIGSSA-N 0 0 405.567 5.528 40 30 HKEBRN Cc1ccc(N=C2NC(=O)/C(=C\c3c[nH]c4ccc(Br)cc34)S2)cc1 ZINC000408960746 560657550 /nfs/dbraw/zinc/65/75/50/560657550.db2.gz ILQCDCQCBXBAFF-CAOOACKPSA-N 0 0 412.312 5.130 40 30 HKEBRN Cc1cc(N2CCCC2)ccc1/C=N/c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000408960823 558768284 /nfs/dbraw/zinc/76/82/84/558768284.db2.gz OJNTXBMABLKYDH-KOEQRZSOSA-N 0 0 417.534 6.405 40 30 HKEBRN COc1ccc(N=C2NC(=O)/C(=C\c3cc(C)n(Cc4ccccc4)c3C)S2)cc1 ZINC000408960943 560657963 /nfs/dbraw/zinc/65/79/63/560657963.db2.gz JYDOHPNVBDXMKG-HYARGMPZSA-N 0 0 417.534 5.053 40 30 HKEBRN Cc1ccc(N=C2NC(=O)/C(=C\c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)S2)cc1 ZINC000408960972 558767873 /nfs/dbraw/zinc/76/78/73/558767873.db2.gz KOUKWRBDMXFMNL-UDWIEESQSA-N 0 0 419.462 5.363 40 30 HKEBRN Cc1ccc(N=C2NC(=O)/C(=C\c3ccccc3OCc3ccccc3F)S2)cc1 ZINC000408961092 558768766 /nfs/dbraw/zinc/76/87/66/558768766.db2.gz ACHZHAKIGNCTOW-HYARGMPZSA-N 0 0 418.493 5.605 40 30 HKEBRN COc1ccc(N=C2NC(=O)/C(=C\c3cc(C)n(-c4cccc(F)c4)c3C)S2)cc1 ZINC000408961094 558768660 /nfs/dbraw/zinc/76/86/60/558768660.db2.gz ACJUVPFFZQKFLF-CIAFOILYSA-N 0 0 421.497 5.133 40 30 HKEBRN Cc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2ccc(N3CCCCC3)cc2)S1 ZINC000408961106 558768890 /nfs/dbraw/zinc/76/88/90/558768890.db2.gz RBUJBPRJHBTHMH-MOSHPQCFSA-N 0 0 411.958 5.530 40 30 HKEBRN CCOc1cc(/C=C2/SC(=Nc3cccc(Cl)c3Cl)NC2=O)ccc1OC ZINC000408961107 558768670 /nfs/dbraw/zinc/76/86/70/558768670.db2.gz ADFBBWYRTSMFRT-MHWRWJLKSA-N 0 0 423.321 5.292 40 30 HKEBRN Cc1ccc(COc2ccccc2/C=C2/SC(=Nc3ccc(F)cc3)NC2=O)cc1 ZINC000408961232 560658182 /nfs/dbraw/zinc/65/81/82/560658182.db2.gz BPBNRLACVJOMHN-HYARGMPZSA-N 0 0 418.493 5.605 40 30 HKEBRN CCCCOC(=O)c1ccc(/N=C/c2cc(C)n(-c3c(C)cccc3CC)c2C)cc1 ZINC000408961310 558768448 /nfs/dbraw/zinc/76/84/48/558768448.db2.gz RIQXIMVUFIONTQ-MTDXEUNCSA-N 0 0 416.565 6.672 40 30 HKEBRN CCc1cccc(C)c1-n1c(C)cc(/C=N/c2ccc(Nc3ccccc3)cc2)c1C ZINC000408961372 558768542 /nfs/dbraw/zinc/76/85/42/558768542.db2.gz SGWWWGBSEAWDSL-VUTHCHCSSA-N 0 0 407.561 7.459 40 30 HKEBRN Cc1cc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)c(C)n1-c1cccc(F)c1 ZINC000408961586 560658335 /nfs/dbraw/zinc/65/83/35/560658335.db2.gz NMYGCMSGYCHLKX-CIAFOILYSA-N 0 0 405.498 5.433 40 30 HKEBRN CCCN1C(=O)/C(=C/c2ccc(N3CCCC3)cc2C)SC1=Nc1ccccc1 ZINC000408961614 558769110 /nfs/dbraw/zinc/76/91/10/558769110.db2.gz TWHXWDKRQCUZMG-OUUDUQSLSA-N 0 0 405.567 5.609 40 30 HKEBRN CCN1C(=O)/C(=C/c2ccc(N3CCCCC3)cc2)SC1=Nc1ccc(F)cc1 ZINC000408961633 560658324 /nfs/dbraw/zinc/65/83/24/560658324.db2.gz UFZSWGFKVUXBCG-QWKKMKHHSA-N 0 0 409.530 5.440 40 30 HKEBRN Cc1ccc(N=C2S/C(=C\c3ccc(N4CCCCC4)cc3)C(=O)N2C)cc1C ZINC000408961703 558769942 /nfs/dbraw/zinc/76/99/42/558769942.db2.gz UTQHGXYUPGMHMT-HNYZTYFESA-N 0 0 405.567 5.528 40 30 HKEBRN Cc1cc(C)c(N=C2S/C(=C\c3ccc(N4CCCC4)cc3)C(=O)N2C)c(C)c1 ZINC000408961739 558769979 /nfs/dbraw/zinc/76/99/79/558769979.db2.gz VBVBPAPGCQJORK-AQAUNXFGSA-N 0 0 405.567 5.446 40 30 HKEBRN CCCCN1C(=O)/C(=C/c2ccc(N3CCCC3)cc2)SC1=Nc1ccccc1 ZINC000408961747 560658314 /nfs/dbraw/zinc/65/83/14/560658314.db2.gz VEAXONVLENOBQC-FWSLEZFUSA-N 0 0 405.567 5.691 40 30 HKEBRN CN1C(=O)/C(=C/c2ccc(N3CCCC3)cc2)SC1=Nc1ccc2ccccc2c1 ZINC000408961902 558770221 /nfs/dbraw/zinc/77/02/21/558770221.db2.gz VKAKNQQGBAZNOC-ZYITZIQLSA-N 0 0 413.546 5.674 40 30 HKEBRN Cc1cccc(C)c1N=C1S/C(=C\c2ccc(N3CCCC3)cc2C)C(=O)N1C ZINC000408961928 560658456 /nfs/dbraw/zinc/65/84/56/560658456.db2.gz VQDIXWGEMFURPG-AQAUNXFGSA-N 0 0 405.567 5.446 40 30 HKEBRN CCc1cccc(C)c1-n1c(C)cc(/C=N\c2ccc(C)cc2Br)c1C ZINC000408961930 558770235 /nfs/dbraw/zinc/77/02/35/558770235.db2.gz VQOBQJSRYUVHER-QFEZKATASA-N 0 0 409.371 6.786 40 30 HKEBRN Cc1cc(/N=C\c2ccc(N3CCCCC3)cc2)ccc1I ZINC000408961970 558770185 /nfs/dbraw/zinc/77/01/85/558770185.db2.gz WETQLCRXSYJPPE-STZFKDTASA-N 0 0 404.295 5.341 40 30 HKEBRN Cc1cc(C)cc(N=C2S/C(=C\c3ccc(N4CCCCC4)cc3)C(=O)N2C)c1 ZINC000408961972 558770205 /nfs/dbraw/zinc/77/02/05/558770205.db2.gz WFECMHVDZQLIDA-HNYZTYFESA-N 0 0 405.567 5.528 40 30 HKEBRN Cc1ccc(N=C2NC(=O)/C(=C\c3cccc(OCc4ccccc4F)c3)S2)cc1 ZINC000408962069 560658443 /nfs/dbraw/zinc/65/84/43/560658443.db2.gz PNKGBEIJOWURLF-HYARGMPZSA-N 0 0 418.493 5.605 40 30 HKEBRN CCOc1cc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)cc(Cl)c1OCC ZINC000408962074 558770251 /nfs/dbraw/zinc/77/02/51/558770251.db2.gz PNVQZCLYEIRDPR-LDADJPATSA-N 0 0 416.930 5.337 40 30 HKEBRN COc1ccc2ccc(OC)c(/C=C3/SC(=Nc4ccc(C)cc4)NC3=O)c2c1 ZINC000408962119 560658460 /nfs/dbraw/zinc/65/84/60/560658460.db2.gz QBRGBXGXBSBMJQ-FYJGNVAPSA-N 0 0 404.491 5.057 40 30 HKEBRN CCOc1ccc(N=C2S/C(=C\c3ccc(N4CCCCC4)cc3)C(=O)N2C)cc1 ZINC000408962282 558769310 /nfs/dbraw/zinc/76/93/10/558769310.db2.gz XZAHPWWFPSTHJA-OUUDUQSLSA-N 0 0 421.566 5.309 40 30 HKEBRN CC[C@@H](C)n1cc(/C=C2/SC(=Nc3ccc(OC)cc3)NC2=O)c2ccccc21 ZINC000408962411 558769240 /nfs/dbraw/zinc/76/92/40/558769240.db2.gz ROCBZVATLNOOGH-NWGMWSOJSA-N 0 0 405.523 5.513 40 30 HKEBRN CC[C@H](C)n1cc(/C=C2/SC(=Nc3ccc(OC)cc3)NC2=O)c2ccccc21 ZINC000408962412 558769251 /nfs/dbraw/zinc/76/92/51/558769251.db2.gz ROCBZVATLNOOGH-PCXKXAPESA-N 0 0 405.523 5.513 40 30 HKEBRN CN1C(=O)/C(=C/c2ccc(N3CCCCC3)cc2)SC1=Nc1ccc(Cl)cc1 ZINC000408962477 560658563 /nfs/dbraw/zinc/65/85/63/560658563.db2.gz YMNINQWIUXVWBL-OIBHPTRJSA-N 0 0 411.958 5.564 40 30 HKEBRN Cc1cc(C)cc(N=C2S/C(=C\c3ccc(N4CCCC4)cc3C)C(=O)N2C)c1 ZINC000408962485 558769686 /nfs/dbraw/zinc/76/96/86/558769686.db2.gz YOCJWIQMDAHIHW-IBORXNHRSA-N 0 0 405.567 5.446 40 30 HKEBRN CCN1C(=O)/C(=C/c2ccc(N3CCCC3)cc2C)SC1=Nc1ccc(OC)cc1 ZINC000408962495 560658557 /nfs/dbraw/zinc/65/85/57/560658557.db2.gz YPBLMJTWAYXXSB-HNYZTYFESA-N 0 0 421.566 5.228 40 30 HKEBRN C=CCc1cc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)cc(OCC)c1OCC ZINC000408962667 558769765 /nfs/dbraw/zinc/76/97/65/558769765.db2.gz JCTCIINDQXLRTP-RCCKNPSSSA-N 0 0 422.550 5.413 40 30 HKEBRN Cc1cc(N2CCCC2)ccc1/C=N\c1ccc(I)cc1C ZINC000408962671 560658543 /nfs/dbraw/zinc/65/85/43/560658543.db2.gz ZWUYGOQVLKNKTF-BKUYFWCQSA-N 0 0 404.295 5.259 40 30 HKEBRN CCOc1ccc(N=C2S/C(=C\c3ccc(N4CCCC4)cc3)C(=O)N2CC)cc1 ZINC000408962679 558769724 /nfs/dbraw/zinc/76/97/24/558769724.db2.gz ZYTLVOCUSNSJAK-OUUDUQSLSA-N 0 0 421.566 5.309 40 30 HKEBRN Cc1ccc(COc2ccccc2/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)cc1 ZINC000408962915 560658548 /nfs/dbraw/zinc/65/85/48/560658548.db2.gz WATYSIDDHGDVDU-HZHRSRAPSA-N 0 0 414.530 5.774 40 30 HKEBRN Cc1ccc(N=C2NC(=O)/C(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)S2)cc1 ZINC000408963108 560658673 /nfs/dbraw/zinc/65/86/73/560658673.db2.gz ABKRXCIAZIXWPG-UDWIEESQSA-N 0 0 419.462 5.363 40 30 HKEBRN COc1ccc(N=C2NC(=O)/C(=C\c3ccc(-c4cc(Cl)ccc4C)o3)S2)cc1 ZINC000408963117 560658671 /nfs/dbraw/zinc/65/86/71/560658671.db2.gz MSHVTQKGGAIGGD-UDWIEESQSA-N 0 0 424.909 5.809 40 30 HKEBRN Cc1cc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)c(C)n1-c1ccc(C#N)cc1 ZINC000408963148 560658689 /nfs/dbraw/zinc/65/86/89/560658689.db2.gz AIIPYWZCLRRVMS-LPYMAVHISA-N 0 0 412.518 5.166 40 30 HKEBRN C#CCOc1c(Cl)cc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)cc1Cl ZINC000408963300 558771630 /nfs/dbraw/zinc/77/16/30/558771630.db2.gz YXGCZRPDAZHEQI-GZTJUZNOSA-N 0 0 417.317 5.205 40 30 HKEBRN Cc1cc(/C=C2/SC(=Nc3cccc(Cl)c3Cl)NC2=O)c(C)n1C(C)(C)C ZINC000408963455 560658772 /nfs/dbraw/zinc/65/87/72/560658772.db2.gz BSTHNLVOHLDUGL-MHWRWJLKSA-N 0 0 422.381 6.058 40 30 HKEBRN O=C1NC(=Nc2ccc(F)cc2)S/C1=C/c1ccccc1OCc1ccc(F)cc1 ZINC000408963521 560658756 /nfs/dbraw/zinc/65/87/56/560658756.db2.gz CBLFZUDPTVDRMH-FYJGNVAPSA-N 0 0 422.456 5.435 40 30 HKEBRN O=C1NC(=Nc2cccc(Cl)c2Cl)S/C1=C/c1ccc(C(F)(F)F)cc1 ZINC000408963592 558772518 /nfs/dbraw/zinc/77/25/18/558772518.db2.gz CMTASNIORNYOSK-MDWZMJQESA-N 0 0 417.239 5.904 40 30 HKEBRN CC[C@H](C)Oc1ccc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)cc1Cl ZINC000408963651 558772203 /nfs/dbraw/zinc/77/22/03/558772203.db2.gz DCXWAKBZQRIDSR-BXUJETTOSA-N 0 0 400.931 5.717 40 30 HKEBRN CCc1ccccc1-n1c(C)cc(/C=C2\SC(=Nc3ccccc3C)NC2=O)c1C ZINC000408963808 558772221 /nfs/dbraw/zinc/77/22/21/558772221.db2.gz AWKWODDWONOZHL-HAHDFKILSA-N 0 0 415.562 5.857 40 30 HKEBRN CC[C@@H](C)Oc1ccc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)cc1Cl ZINC000408963831 558772538 /nfs/dbraw/zinc/77/25/38/558772538.db2.gz DCXWAKBZQRIDSR-ONDHQXCVSA-N 0 0 400.931 5.717 40 30 HKEBRN O=C1NC(=Nc2ccc(F)cc2)S/C1=C/c1ccccc1OCc1ccccc1F ZINC000408963878 558772543 /nfs/dbraw/zinc/77/25/43/558772543.db2.gz DMLMDTGXBVKDJU-FYJGNVAPSA-N 0 0 422.456 5.435 40 30 HKEBRN CCCCOC(=O)c1ccc(/N=C/c2cc(C)n(-c3ccccc3CC)c2C)cc1 ZINC000408963931 558772600 /nfs/dbraw/zinc/77/26/00/558772600.db2.gz BFWUPHJRXOHBHA-OVVQPSECSA-N 0 0 402.538 6.364 40 30 HKEBRN O=C(Nc1ccccc1)c1c2c(sc1/N=C/C=C/c1ccccc1)CCCCCC2 ZINC000408964034 558772764 /nfs/dbraw/zinc/77/27/64/558772764.db2.gz MDNCPQDUGCXVQU-YTDNVGSLSA-N 0 0 414.574 7.075 40 30 HKEBRN O=C1NC(=Nc2ccc(F)cc2)S/C1=C/c1ccccc1OCc1ccccc1 ZINC000408964035 560658766 /nfs/dbraw/zinc/65/87/66/560658766.db2.gz FHDPGKRWWNBZDW-KGENOOAVSA-N 0 0 404.466 5.296 40 30 HKEBRN COc1cccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)c1 ZINC000408964040 560658776 /nfs/dbraw/zinc/65/87/76/560658776.db2.gz MNPNFDJAMQBQBH-YZSQISJMSA-N 0 0 418.562 6.419 40 30 HKEBRN Cc1cc(CN=Nc2ccc(C(F)(F)F)cn2)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408964202 560658780 /nfs/dbraw/zinc/65/87/80/560658780.db2.gz BVYVVKYSGPKNDZ-QDTIIGTASA-N 0 0 414.475 6.251 40 30 HKEBRN Cc1cc(/C=N/c2ccc(-c3ccccc3)cc2)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408964206 558772778 /nfs/dbraw/zinc/77/27/78/558772778.db2.gz BYGKGYIFHJVILF-TWKHWXDSSA-N 0 0 406.573 7.809 40 30 HKEBRN CCc1ccccc1-n1c(C)cc(/C=C2\SC(=Nc3ccccc3)NC2=O)c1C ZINC000408964207 560658750 /nfs/dbraw/zinc/65/87/50/560658750.db2.gz BYUIYNJRVLWZAY-JCMHNJIXSA-N 0 0 401.535 5.548 40 30 HKEBRN Cc1cc(/C=N\c2ccccc2Br)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408964223 560658920 /nfs/dbraw/zinc/65/89/20/560658920.db2.gz CDFVCPVEXQUNND-MYYYXRDXSA-N 0 0 409.371 6.905 40 30 HKEBRN CCOC(=O)c1cccc(/N=C\c2cc(C)n(-c3cccc(C(=O)OCC)c3)c2C)c1 ZINC000408964286 560658913 /nfs/dbraw/zinc/65/89/13/560658913.db2.gz CSJBXSDKCMLEMX-QQXSKIMKSA-N 0 0 418.493 5.198 40 30 HKEBRN Cc1cc(/C=N/c2ccc(Nc3ccccc3)cc2)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408964288 558772769 /nfs/dbraw/zinc/77/27/69/558772769.db2.gz CSJSUDVGNNVPKN-TWKHWXDSSA-N 0 0 421.588 7.886 40 30 HKEBRN O=C1NC(=Nc2cccc(Cl)c2Cl)S/C1=C/c1cccc(C(F)(F)F)c1 ZINC000408964318 558772773 /nfs/dbraw/zinc/77/27/73/558772773.db2.gz GBMJAPOARVKTKR-MDWZMJQESA-N 0 0 417.239 5.904 40 30 HKEBRN Cc1cc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)c(C)n1-c1c(C)cccc1C ZINC000408964337 560658867 /nfs/dbraw/zinc/65/88/67/560658867.db2.gz GGJBQLGRNKASDX-HYARGMPZSA-N 0 0 415.562 5.911 40 30 HKEBRN COc1ccc(-n2c(C)cc(/C=C3/SC(=Nc4ccc(C)cc4)NC3=O)c2C)cc1 ZINC000408964373 558772929 /nfs/dbraw/zinc/77/29/29/558772929.db2.gz RCAZRBVMHAWNJF-HYARGMPZSA-N 0 0 417.534 5.303 40 30 HKEBRN COc1ccc(N=C2NC(=O)/C(=C\c3cc(C)n(-c4ccccc4F)c3C)S2)cc1 ZINC000408964473 560658859 /nfs/dbraw/zinc/65/88/59/560658859.db2.gz HCCOHSAZJDNWOU-FYJGNVAPSA-N 0 0 421.497 5.133 40 30 HKEBRN Cc1ccc(N=C2NC(=O)/C(=C\c3cccc(OCc4ccc(F)cc4)c3)S2)cc1 ZINC000408964505 560658846 /nfs/dbraw/zinc/65/88/46/560658846.db2.gz HJMUGEGMPDYZPD-HYARGMPZSA-N 0 0 418.493 5.605 40 30 HKEBRN CN(C)c1ccc(/C=C/C=C2/SC(=Nc3cccc(Cl)c3Cl)NC2=O)cc1 ZINC000408964506 558772749 /nfs/dbraw/zinc/77/27/49/558772749.db2.gz HKECTAUABQECNT-OYPWNPFHSA-N 0 0 418.349 5.507 40 30 HKEBRN O=C1/C(=C/c2ccc(Cl)s2)S/C(=N\C2CCCCC2)N1C1CCCCC1 ZINC000408964629 560658872 /nfs/dbraw/zinc/65/88/72/560658872.db2.gz DWFAQBSMAJJXDK-PJICLEDRSA-N 0 0 409.020 6.339 40 30 HKEBRN Cc1cc(/C=N\NC(=S)Nc2ccccc2)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408964651 560658896 /nfs/dbraw/zinc/65/88/96/560658896.db2.gz DAURBJXYVXREOJ-XYGWBWBKSA-N 0 0 404.583 5.712 40 30 HKEBRN CCOC(=O)c1cccc(/N=C\c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)c1 ZINC000408964684 560658879 /nfs/dbraw/zinc/65/88/79/560658879.db2.gz DCFHJMSFXOGNSP-PKAZHMFMSA-N 0 0 402.538 6.319 40 30 HKEBRN Cc1cc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)c(C)n1Cc1ccccc1 ZINC000408964829 560658888 /nfs/dbraw/zinc/65/88/88/560658888.db2.gz HTWUIPUOTYWCIL-HYARGMPZSA-N 0 0 401.535 5.353 40 30 HKEBRN Cc1ccc(N=C2NC(=O)/C(=C\c3ccccc3OCc3ccc(F)cc3)S2)cc1 ZINC000408964834 560658924 /nfs/dbraw/zinc/65/89/24/560658924.db2.gz SQXMIRWPHPFEGB-HYARGMPZSA-N 0 0 418.493 5.605 40 30 HKEBRN CC[C@H](C)Oc1ccc(/C=C2/SC(=Nc3ccc(F)cc3)NC2=O)cc1Cl ZINC000408964845 560658905 /nfs/dbraw/zinc/65/89/05/560658905.db2.gz SSQKSWLBIZFMFA-HWQJWEFDSA-N 0 0 404.894 5.548 40 30 HKEBRN CC[C@@H](C)Oc1ccc(/C=C2/SC(=Nc3ccc(F)cc3)NC2=O)cc1Cl ZINC000408964847 560658994 /nfs/dbraw/zinc/65/89/94/560658994.db2.gz SSQKSWLBIZFMFA-MBNTZHJCSA-N 0 0 404.894 5.548 40 30 HKEBRN Cc1ccc(N=C2NC(=O)/C(=C\c3ccccc3OCc3cccc(F)c3)S2)cc1 ZINC000408964910 560658934 /nfs/dbraw/zinc/65/89/34/560658934.db2.gz TYBSTCYUAMGBCE-HYARGMPZSA-N 0 0 418.493 5.605 40 30 HKEBRN Cc1cc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)c(C)n1-c1ccccc1F ZINC000408964927 560658948 /nfs/dbraw/zinc/65/89/48/560658948.db2.gz IORYUZQHIRCANE-FYJGNVAPSA-N 0 0 405.498 5.433 40 30 HKEBRN Cc1cc(/C=N/c2ccc(Br)cc2)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408965022 560658996 /nfs/dbraw/zinc/65/89/96/560658996.db2.gz FLIIVUFPAVGOLP-MFKUBSTISA-N 0 0 409.371 6.905 40 30 HKEBRN CCOC(=O)c1cccc(-n2c(C)cc(/C=N/c3ccc(-c4ccccc4)cc3)c2C)c1 ZINC000408965052 558773511 /nfs/dbraw/zinc/77/35/11/558773511.db2.gz FUEQWSZNZAHCHD-VUTHCHCSSA-N 0 0 422.528 6.688 40 30 HKEBRN CCc1ccccc1-n1c(C)cc(/C=N/c2ccc(-c3cc4ccccc4o3)cc2)c1C ZINC000408965065 560658938 /nfs/dbraw/zinc/65/89/38/560658938.db2.gz FYGINIAWIDDPBQ-NDZAJKAJSA-N 0 0 418.540 7.820 40 30 HKEBRN CCOC(=O)c1cccc(-n2c(C)cc(/C=N/c3ccc([N+](=O)[O-])cc3C)c2C)c1 ZINC000408965098 558773682 /nfs/dbraw/zinc/77/36/82/558773682.db2.gz GDXGXCAYIXXWQH-ZVHZXABRSA-N 0 0 405.454 5.238 40 30 HKEBRN Cc1cc(/C=N\c2ccc(Br)cc2C)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408965107 558773711 /nfs/dbraw/zinc/77/37/11/558773711.db2.gz GFPCRGQXRDGIMD-YSMPRRRNSA-N 0 0 423.398 7.213 40 30 HKEBRN Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/SC(=Nc3ccc(F)cc3)NC2=O)o1 ZINC000408965243 558775777 /nfs/dbraw/zinc/77/57/77/558775777.db2.gz UWVITABIFMJREC-YBFXNURJSA-N 0 0 423.425 5.194 40 30 HKEBRN COC(=O)c1ccc(C)c(/N=C/c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)c1 ZINC000408965488 560658940 /nfs/dbraw/zinc/65/89/40/560658940.db2.gz HRPBSVFGTJNPSE-JVWAILMASA-N 0 0 402.538 6.237 40 30 HKEBRN CCOC(=O)c1cccc(-n2c(C)cc(/C=N\c3cccc(Cl)c3Cl)c2C)c1 ZINC000408965555 560658993 /nfs/dbraw/zinc/65/89/93/560658993.db2.gz IRPBEAAJMALBNZ-MXAYSNPKSA-N 0 0 415.320 6.328 40 30 HKEBRN CCOC(=O)c1cccc(-n2c(C)cc(/C=N/c3cc(C(=O)OC)ccc3C)c2C)c1 ZINC000408965592 558778446 /nfs/dbraw/zinc/77/84/46/558778446.db2.gz JCSCWIHDGAUEMG-CVKSISIWSA-N 0 0 418.493 5.116 40 30 HKEBRN COc1ccc(N=C2NC(=O)C(=Cc3ccc(-c4ccc(C(C)=O)cc4)o3)S2)cc1 ZINC000408965644 560659131 /nfs/dbraw/zinc/65/91/31/560659131.db2.gz LCYSZAZTPBRCGA-FYJGNVAPSA-N 0 0 418.474 5.049 40 30 HKEBRN CCn1cc(/C=C2/SC(=Nc3cccc(Cl)c3Cl)NC2=O)c2ccccc21 ZINC000408965661 560659100 /nfs/dbraw/zinc/65/91/00/560659100.db2.gz LGJPMFVRTYEONI-LICLKQGHSA-N 0 0 416.333 5.860 40 30 HKEBRN CCOc1cc(Cl)c(/C=C2/SC(=Nc3ccc(F)cc3)NC2=O)cc1OCC ZINC000408965664 558778673 /nfs/dbraw/zinc/77/86/73/558778673.db2.gz LGVBRDPERQQFBL-VCHYOVAHSA-N 0 0 420.893 5.168 40 30 HKEBRN CCOc1c(Cl)cc(/C=C2/SC(=Nc3ccc(OC)cc3)NC2=O)cc1Cl ZINC000408965690 558778613 /nfs/dbraw/zinc/77/86/13/558778613.db2.gz XDWYJRHZCKOKSV-MHWRWJLKSA-N 0 0 423.321 5.292 40 30 HKEBRN CCOC(=O)c1ccc(/N=C/c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)cc1 ZINC000408965751 558778659 /nfs/dbraw/zinc/77/86/59/558778659.db2.gz IHGWPXOWMJUMQH-WPWMEQJKSA-N 0 0 402.538 6.319 40 30 HKEBRN Cc1cc(/C=C2/SC(=Nc3ccc(F)cc3)NC2=O)c(C)n1-c1cccc(C)c1C ZINC000408965966 558778644 /nfs/dbraw/zinc/77/86/44/558778644.db2.gz YCEAWIZZVYYNDT-LPYMAVHISA-N 0 0 419.525 5.742 40 30 HKEBRN CCc1ccccc1-n1c(C)cc(/C=C2\SC(=Nc3ccc(C)cc3)NC2=O)c1C ZINC000408966065 558779168 /nfs/dbraw/zinc/77/91/68/558779168.db2.gz JSQOUXYXCKRDLF-HAHDFKILSA-N 0 0 415.562 5.857 40 30 HKEBRN CC[C@H](C)Oc1ccc(/C=C2/SC(=Nc3ccc(OC)cc3)NC2=O)cc1Cl ZINC000408966095 558779527 /nfs/dbraw/zinc/77/95/27/558779527.db2.gz YYJRKKPUCGEVRJ-HCZVKUGISA-N 0 0 416.930 5.418 40 30 HKEBRN CC[C@@H](C)Oc1ccc(/C=C2/SC(=Nc3ccc(OC)cc3)NC2=O)cc1Cl ZINC000408966100 558779620 /nfs/dbraw/zinc/77/96/20/558779620.db2.gz YYJRKKPUCGEVRJ-KZKLBEMASA-N 0 0 416.930 5.418 40 30 HKEBRN CC(=O)c1ccc(-c2ccc(C=C3SC(=Nc4ccc(C)cc4)NC3=O)o2)cc1 ZINC000408966211 558780354 /nfs/dbraw/zinc/78/03/54/558780354.db2.gz NSIOIAAKKZWCBL-FYJGNVAPSA-N 0 0 402.475 5.349 40 30 HKEBRN CCOC(=O)c1cccc(-n2c(C)cc(/C=N/c3cccc(C(=O)OC)c3C)c2C)c1 ZINC000408966356 558781874 /nfs/dbraw/zinc/78/18/74/558781874.db2.gz MBGPEJWBFNPKGN-CVKSISIWSA-N 0 0 418.493 5.116 40 30 HKEBRN Cc1cc(/C=N\c2ccc(C)cc2Br)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408966557 558776832 /nfs/dbraw/zinc/77/68/32/558776832.db2.gz MDLDEGPYURTENF-YSMPRRRNSA-N 0 0 423.398 7.213 40 30 HKEBRN CCOC(=O)c1cccc(-n2c(C)cc(/C=N\c3ccc(C)c([N+](=O)[O-])c3)c2C)c1 ZINC000408966566 560658093 /nfs/dbraw/zinc/65/80/93/560658093.db2.gz MESFSCCAKXPNJR-OYKKKHCWSA-N 0 0 405.454 5.238 40 30 HKEBRN COc1ccc(/C=C/C=C2/SC(=Nc3cccc(Cl)c3Cl)NC2=O)cc1 ZINC000408966605 560658768 /nfs/dbraw/zinc/65/87/68/560658768.db2.gz PMGZFWDONVNOOP-OXBUZNMBSA-N 0 0 405.306 5.450 40 30 HKEBRN CCOC(=O)c1cccc(-n2c(C)cc(/C=N/c3ccc(OC)c(Cl)c3)c2C)c1 ZINC000408966644 560658843 /nfs/dbraw/zinc/65/88/43/560658843.db2.gz MTBJRUQARJXNRV-AFUMVMLFSA-N 0 0 410.901 5.683 40 30 HKEBRN CCOC(=O)c1cccc(-n2c(C)cc(/C=N/c3ccc(C(=O)OC)cc3C)c2C)c1 ZINC000408966664 558776844 /nfs/dbraw/zinc/77/68/44/558776844.db2.gz NLXQRLBISQLBDI-CVKSISIWSA-N 0 0 418.493 5.116 40 30 HKEBRN Cc1cc(/C=N/NS(=O)(=O)c2ccc(C)cc2)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408966668 560658114 /nfs/dbraw/zinc/65/81/14/560658114.db2.gz MXCHDCOCTKFRLI-PCLIKHOPSA-N 0 0 423.582 5.012 40 30 HKEBRN Cc1cc(/C=C2/SC(=Nc3ccc(F)cc3)NC2=O)c(C)n1Cc1ccccc1 ZINC000408966688 560658436 /nfs/dbraw/zinc/65/84/36/560658436.db2.gz PWVLLYNHYJRYOA-FYJGNVAPSA-N 0 0 405.498 5.184 40 30 HKEBRN Cc1cc(/C=C2\SC(=Nc3ccccc3)NC2=O)c(C)n1-c1ccc2ncccc2c1 ZINC000408966798 558776840 /nfs/dbraw/zinc/77/68/40/558776840.db2.gz OFHYRKRNYCJTRS-HAHDFKILSA-N 0 0 424.529 5.534 40 30 HKEBRN Cc1ccc(N=C2NC(=O)/C(=C\c3ccc(OCc4cccc(F)c4)cc3)S2)cc1 ZINC000408966817 558776708 /nfs/dbraw/zinc/77/67/08/558776708.db2.gz QSMSWUVOOGQDNV-HYARGMPZSA-N 0 0 418.493 5.605 40 30 HKEBRN COC(=O)c1cccc(/N=C/c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)c1C ZINC000408966888 558776858 /nfs/dbraw/zinc/77/68/58/558776858.db2.gz NYQWWUTYWYKAQK-JVWAILMASA-N 0 0 402.538 6.237 40 30 HKEBRN COC(=O)c1ccc(/N=C/c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)c(C)c1 ZINC000408966965 558777055 /nfs/dbraw/zinc/77/70/55/558777055.db2.gz OITSWRQYQKWYHD-JVWAILMASA-N 0 0 402.538 6.237 40 30 HKEBRN CCc1ccccc1-n1c(C)cc(/C=N/c2ccc(Br)c(Cl)c2)c1C ZINC000408967049 560659327 /nfs/dbraw/zinc/65/93/27/560659327.db2.gz OYCJQZZFNOEWQY-ZMOGYAJESA-N 0 0 415.762 6.823 40 30 HKEBRN O=C1NC(=Nc2cccc(Cl)c2Cl)S/C1=C/C=C/c1ccccc1[N+](=O)[O-] ZINC000408967105 560659326 /nfs/dbraw/zinc/65/93/26/560659326.db2.gz SGJQAXXBRVYKAH-JJHRSPRKSA-N 0 0 420.277 5.349 40 30 HKEBRN O=C1NC(=Nc2ccc(F)cc2)S/C1=C/c1ccccc1OCc1cccc(F)c1 ZINC000408967124 558777065 /nfs/dbraw/zinc/77/70/65/558777065.db2.gz SJGHYBLGIMNLDQ-FYJGNVAPSA-N 0 0 422.456 5.435 40 30 HKEBRN Cc1ccc(N=C2NC(=O)/C(=C\c3ccc(-c4cc(Cl)ccc4C)o3)S2)cc1 ZINC000408967126 560659329 /nfs/dbraw/zinc/65/93/29/560659329.db2.gz SJLTYKDHNPQARD-UDWIEESQSA-N 0 0 408.910 6.108 40 30 HKEBRN COc1ccc(-n2c(C)cc(/C=C3/SC(=Nc4ccc(F)cc4)NC3=O)c2C)cc1 ZINC000408967171 558777373 /nfs/dbraw/zinc/77/73/73/558777373.db2.gz SXSRPFGEGFXPAT-FYJGNVAPSA-N 0 0 421.497 5.133 40 30 HKEBRN CCOc1cc(Cl)c(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)cc1OCC ZINC000408967293 558777336 /nfs/dbraw/zinc/77/73/36/558777336.db2.gz UNPQXWMSBJGNRJ-YBFXNURJSA-N 0 0 416.930 5.337 40 30 HKEBRN Cc1ccc(Cl)cc1-c1ccc(/C=C2/SC(=Nc3ccc(F)cc3)NC2=O)o1 ZINC000408967338 560659335 /nfs/dbraw/zinc/65/93/35/560659335.db2.gz VBCYRSRXAGSMTQ-YBFXNURJSA-N 0 0 412.873 5.939 40 30 HKEBRN COC(=O)c1ccc(Cl)c(/N=C/c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)c1 ZINC000408967429 560659319 /nfs/dbraw/zinc/65/93/19/560659319.db2.gz QOSGDDYGSMGVHG-JFLMPSFJSA-N 0 0 422.956 6.582 40 30 HKEBRN Cc1cc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)c(C)n1-c1cccc(C)c1C ZINC000408967715 560659437 /nfs/dbraw/zinc/65/94/37/560659437.db2.gz XATOIMJUYMVFCV-OEAKJJBVSA-N 0 0 415.562 5.911 40 30 HKEBRN COc1ccc([N+](=O)[O-])cc1/N=C\c1cc(C)n(-c2ccc3ncccc3c2)c1C ZINC000408967734 558777521 /nfs/dbraw/zinc/77/75/21/558777521.db2.gz UDRJEGLRQQUKOB-QFEZKATASA-N 0 0 400.438 5.310 40 30 HKEBRN CCOC(=O)c1cccc(-n2c(C)cc(/C=N\c3ccc(Cl)c(Cl)c3)c2C)c1 ZINC000408967796 558777926 /nfs/dbraw/zinc/77/79/26/558777926.db2.gz SEWGXDAWNZZGOB-MXAYSNPKSA-N 0 0 415.320 6.328 40 30 HKEBRN CCOC(=O)c1ccc(/N=C/c2cc(C)n(-c3cccc(C(=O)OCC)c3)c2C)cc1 ZINC000408967900 560659412 /nfs/dbraw/zinc/65/94/12/560659412.db2.gz SPORAEFAAZSTGE-WGOQTCKBSA-N 0 0 418.493 5.198 40 30 HKEBRN CCN(CC)c1ccc(/N=C/c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)cc1 ZINC000408967907 560659415 /nfs/dbraw/zinc/65/94/15/560659415.db2.gz SRGLPRJNZAKMKD-TURZUDJPSA-N 0 0 401.598 6.988 40 30 HKEBRN Cc1cc(/C=C2/SC(=Nc3cccc(Cl)c3Cl)NC2=O)c(C)n1C(C)C ZINC000408967940 558778159 /nfs/dbraw/zinc/77/81/59/558778159.db2.gz YFHLFNADPOWAAU-CXUHLZMHSA-N 0 0 408.354 5.884 40 30 HKEBRN Cc1cc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)c(C)n1-c1ccccc1Cl ZINC000408968006 560659374 /nfs/dbraw/zinc/65/93/74/560659374.db2.gz YMHXJIIGEOOLOH-FYJGNVAPSA-N 0 0 421.953 5.948 40 30 HKEBRN Cc1cc(/C=N/c2ccc(Cl)c([N+](=O)[O-])c2)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408968094 560659392 /nfs/dbraw/zinc/65/93/92/560659392.db2.gz UEXPIKDMSIEVOV-AFUMVMLFSA-N 0 0 409.917 6.704 40 30 HKEBRN CCOC(=O)c1cccc(-n2c(C)cc(/C=N/c3ccc([C@@H](C)CC)cc3)c2C)c1 ZINC000408968104 560659384 /nfs/dbraw/zinc/65/93/84/560659384.db2.gz UGGIQOVKPNGRJA-CICSQNLLSA-N 0 0 402.538 6.535 40 30 HKEBRN CCOC(=O)c1cccc(-n2c(C)cc(/C=N/c3ccc([C@H](C)CC)cc3)c2C)c1 ZINC000408968107 558778195 /nfs/dbraw/zinc/77/81/95/558778195.db2.gz UGGIQOVKPNGRJA-OVKKOYPGSA-N 0 0 402.538 6.535 40 30 HKEBRN CCOC(=O)c1cccc(-n2c(C)cc(/C=N\c3ccc(C(C)(C)C)cc3)c2C)c1 ZINC000408968110 560659403 /nfs/dbraw/zinc/65/94/03/560659403.db2.gz UGOBKEJJQUNGGU-PKAZHMFMSA-N 0 0 402.538 6.319 40 30 HKEBRN CCCCc1ccc(/N=C/c2cc(C)n(-c3cccc(C(=O)OCC)c3)c2C)cc1 ZINC000408968121 560659377 /nfs/dbraw/zinc/65/93/77/560659377.db2.gz UHZDHAMFJONIHL-OVVQPSECSA-N 0 0 402.538 6.364 40 30 HKEBRN Cc1cc(/C=N/c2ccc(Br)c(C)c2)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408968314 560659523 /nfs/dbraw/zinc/65/95/23/560659523.db2.gz VGMFLSJAMQUKLN-CVKSISIWSA-N 0 0 423.398 7.213 40 30 HKEBRN CCOC(=O)c1cccc(-n2c(C)cc(/C=N/c3ccc(N(CC)CC)cc3)c2C)c1 ZINC000408968410 560659499 /nfs/dbraw/zinc/65/94/99/560659499.db2.gz YPGMBAYRJPZGHY-OVVQPSECSA-N 0 0 417.553 5.868 40 30 HKEBRN C=C[C@H](C)N1C(=O)S/C(=C\c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)C1=O ZINC000408968428 558778109 /nfs/dbraw/zinc/77/81/09/558778109.db2.gz WOTIPYPUXVQSNC-JTMDUIFQSA-N 0 0 408.567 6.002 40 30 HKEBRN C=C[C@@H](C)N1C(=O)S/C(=C\c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)C1=O ZINC000408968430 560659520 /nfs/dbraw/zinc/65/95/20/560659520.db2.gz WOTIPYPUXVQSNC-XWCAUFEOSA-N 0 0 408.567 6.002 40 30 HKEBRN CCOC(=O)c1cccc(-n2c(C)cc(/C=N\c3ccc(Cl)cc3Cl)c2C)c1 ZINC000408968454 560659524 /nfs/dbraw/zinc/65/95/24/560659524.db2.gz YYNBQUMMGBJPCT-MXAYSNPKSA-N 0 0 415.320 6.328 40 30 HKEBRN Cc1cc(/C=N/c2ccc(N3CCOCC3)cc2)c(C)n1-c1ccc2ncccc2c1 ZINC000408968477 558778488 /nfs/dbraw/zinc/77/84/88/558778488.db2.gz ZIQVPDARKFZWIM-MTDXEUNCSA-N 0 0 410.521 5.230 40 30 HKEBRN Cc1cc(/C=N/c2cccc(Br)c2)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408968616 558778365 /nfs/dbraw/zinc/77/83/65/558778365.db2.gz XXVHHJSKQLTKSL-MFKUBSTISA-N 0 0 409.371 6.905 40 30 HKEBRN CCc1ccccc1-n1c(C)cc(/C=C2\SC(=Nc3cccc(C)c3)NC2=O)c1C ZINC000408968727 558778403 /nfs/dbraw/zinc/77/84/03/558778403.db2.gz YGQUTJUWZMWTQO-HAHDFKILSA-N 0 0 415.562 5.857 40 30 HKEBRN CCc1ccccc1-n1c(C)cc(/C=C2\SC(=Nc3ccccc3)N(C)C2=O)c1C ZINC000408968793 558779445 /nfs/dbraw/zinc/77/94/45/558779445.db2.gz ZEPGZIHLIPMMCS-ZYITZIQLSA-N 0 0 415.562 5.890 40 30 HKEBRN COC(=O)c1ccc(/N=C/c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)cc1Cl ZINC000408968815 560659521 /nfs/dbraw/zinc/65/95/21/560659521.db2.gz ZLQMUVLBCRHPQW-JFLMPSFJSA-N 0 0 422.956 6.582 40 30 HKEBRN Cc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cc1 ZINC000408968979 560659494 /nfs/dbraw/zinc/65/94/94/560659494.db2.gz FERRJDZLEJYELF-YZSQISJMSA-N 0 0 402.563 6.718 40 30 HKEBRN N#Cc1ccccc1-c1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)o1 ZINC000408969163 558781867 /nfs/dbraw/zinc/78/18/67/558781867.db2.gz IHOQTJRXDCZHGZ-PDGQHHTCSA-N 0 0 407.351 5.167 40 30 HKEBRN O=C(Nc1ccccc1)c1c(/N=C/c2ccccc2Cl)sc2c1CCCCCC2 ZINC000408969736 560659630 /nfs/dbraw/zinc/65/96/30/560659630.db2.gz SRIOXBGNBUDTDF-WGOQTCKBSA-N 0 0 422.981 7.063 40 30 HKEBRN O=C(Nc1ccccc1)c1c(/N=C/c2ccc(Cl)cc2)sc2c1CCCCCC2 ZINC000408969945 560659598 /nfs/dbraw/zinc/65/95/98/560659598.db2.gz XKADUMMDHCIHIZ-WGOQTCKBSA-N 0 0 422.981 7.063 40 30 HKEBRN Cc1cc(C)cc(C(C)N=Nc2nc(-c3ccc(Br)cc3)cs2)c1 ZINC000408970072 558785745 /nfs/dbraw/zinc/78/57/45/558785745.db2.gz ZWLOYDVPWJYPJL-HYARGMPZSA-N 0 0 400.345 6.026 40 30 HKEBRN CC(N=Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)c1cccc(C2CCCCC2)c1 ZINC000408970266 560659684 /nfs/dbraw/zinc/65/96/84/560659684.db2.gz DXJRTCVUTPZGSQ-PCLIKHOPSA-N 0 0 420.538 6.602 40 30 HKEBRN N#CCOc1ccc2ccccc2c1/C=C1\C(=O)N(c2ccccc2)N=C1C(F)(F)F ZINC000408970739 560659697 /nfs/dbraw/zinc/65/96/97/560659697.db2.gz CUQIVRFVNJLGTH-RGEXLXHISA-N 0 0 421.378 5.091 40 30 HKEBRN O=C(Nc1ccccc1)c1c(/N=C/c2ccccc2O)sc2c1CCCCCC2 ZINC000408970967 558797757 /nfs/dbraw/zinc/79/77/57/558797757.db2.gz BOHSSVZHAOUQTM-PCLIKHOPSA-N 0 0 404.535 6.116 40 30 HKEBRN O=C(Nc1ccccc1)c1c(/N=C/c2ccc(F)cc2)sc2c1CCCCCC2 ZINC000408971216 560659796 /nfs/dbraw/zinc/65/97/96/560659796.db2.gz DTSCPUHVRGPENC-WGOQTCKBSA-N 0 0 406.526 6.549 40 30 HKEBRN C=CCn1c(C)c(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)c2ccccc21 ZINC000408971348 560659841 /nfs/dbraw/zinc/65/98/41/560659841.db2.gz GEQAQPLMNYDKLF-RGEXLXHISA-N 0 0 409.411 5.484 40 30 HKEBRN COc1ccccc1/C=N/c1sc2c(c1C(=O)Nc1ccccc1)CCCCCC2 ZINC000408971417 558799775 /nfs/dbraw/zinc/79/97/75/558799775.db2.gz OESSJQRIPNAGQV-YZSQISJMSA-N 0 0 418.562 6.419 40 30 HKEBRN COc1ccc(Br)cc1CN=Nc1nc(-c2ccc(C)cc2)cs1 ZINC000408971475 560659788 /nfs/dbraw/zinc/65/97/88/560659788.db2.gz PCAFQRUJBDENOJ-KEBDBYFISA-N 0 0 402.317 5.336 40 30 HKEBRN C#CCOc1ccc2ccccc2c1/C=C1\C(=O)N(c2ccccc2)N=C1C(F)(F)F ZINC000408971511 560659814 /nfs/dbraw/zinc/65/98/14/560659814.db2.gz HFRVLDNXTZGBCS-HKWRFOASSA-N 0 0 420.390 5.200 40 30 HKEBRN O=C(Nc1ccccc1)c1c(/N=C/c2cccc(O)c2)sc2c1CCCCCC2 ZINC000408971632 560659194 /nfs/dbraw/zinc/65/91/94/560659194.db2.gz KNRDIRLXHWEEGW-PCLIKHOPSA-N 0 0 404.535 6.116 40 30 HKEBRN COc1ccc(Br)cc1CN=Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000408971813 558800110 /nfs/dbraw/zinc/80/01/10/558800110.db2.gz LUPFIEGLBGOHHN-AWQFTUOYSA-N 0 0 422.735 5.681 40 30 HKEBRN CC(N=Nc1nc(-c2ccc(Cl)cc2)cs1)c1cccc(C2CCCCC2)c1 ZINC000408971934 560659209 /nfs/dbraw/zinc/65/92/09/560659209.db2.gz MHNMTHRORQBCGQ-WGOQTCKBSA-N 0 0 409.986 7.347 40 30 HKEBRN Cc1ccc(C)c(NC(=O)c2c(/N=C/c3ccncc3)sc3c2CCCCCC3)c1 ZINC000408972326 558805501 /nfs/dbraw/zinc/80/55/01/558805501.db2.gz RLTZYBGOLWNJLZ-JVWAILMASA-N 0 0 417.578 6.422 40 30 HKEBRN COc1cccc(/C=N/c2sc3c(c2C#N)CCCC3)c1OCc1ccccc1 ZINC000408973199 560659821 /nfs/dbraw/zinc/65/98/21/560659821.db2.gz KBWZQAJBTAEVQK-CVKSISIWSA-N 0 0 402.519 5.837 40 30 HKEBRN Cc1cccc(C)c1/N=C1\S/C(=C\c2cccc(Cl)c2)C(=O)N1c1ccccc1 ZINC000408973326 560659810 /nfs/dbraw/zinc/65/98/10/560659810.db2.gz LNGHNQWBQBWOCK-BNUIPMERSA-N 0 0 418.949 6.765 40 30 HKEBRN O=C(Nc1ccccc1)c1c(/N=C/c2ccc(O)cc2)sc2c1CCCCCC2 ZINC000408973400 558810638 /nfs/dbraw/zinc/81/06/38/558810638.db2.gz YUPXEFRKERTHEO-PCLIKHOPSA-N 0 0 404.535 6.116 40 30 HKEBRN Cc1ccc(-c2nc(N=NCc3ccc(Cl)cc3)sc2-c2ccccc2)cc1C ZINC000408973446 560659798 /nfs/dbraw/zinc/65/97/98/560659798.db2.gz AWQFQORLQFGHON-CVKSISIWSA-N 0 0 417.965 7.193 40 30 HKEBRN COc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cc1 ZINC000408973479 560659778 /nfs/dbraw/zinc/65/97/78/560659778.db2.gz SRNZLFIVAZEHOV-YZSQISJMSA-N 0 0 418.562 6.419 40 30 HKEBRN N#Cc1c(/N=C/c2ccccc2)oc(-c2ccc(-c3ccccc3)cc2)c1-c1ccccc1 ZINC000408973492 558810624 /nfs/dbraw/zinc/81/06/24/558810624.db2.gz BDYWPHFOJLQDPW-RUMWWMSVSA-N 0 0 424.503 7.903 40 30 HKEBRN C=CCOc1cccc(/C=C2\C(=O)N(c3ccc(C)c(C)c3)C(C)=C2C(=O)OCC)c1 ZINC000408973522 558810990 /nfs/dbraw/zinc/81/09/90/558810990.db2.gz BITUUOKQLHMBCI-KQWNVCNZSA-N 0 0 417.505 5.136 40 30 HKEBRN CN1CC(=O)N(/N=C/c2ccc(Cl)cc2Cl)[C@H]1c1ccc(Cl)cc1Cl ZINC000408973780 560659854 /nfs/dbraw/zinc/65/98/54/560659854.db2.gz BPMNISZRVRHQLN-SZZBOLBSSA-N 0 0 417.123 5.107 40 30 HKEBRN CN1CC(=O)N(/N=C/c2ccc(Cl)cc2Cl)[C@@H]1c1ccc(Cl)cc1Cl ZINC000408973782 560659909 /nfs/dbraw/zinc/65/99/09/560659909.db2.gz BPMNISZRVRHQLN-TZVKMXPSSA-N 0 0 417.123 5.107 40 30 HKEBRN O=C1c2ccccc2S/C1=C\c1cn(Cc2ccccc2F)nc1-c1ccccc1 ZINC000408973840 560659899 /nfs/dbraw/zinc/65/98/99/560659899.db2.gz CCKZLKXCNWCTGB-UCQKPKSFSA-N 0 0 412.489 6.067 40 30 HKEBRN N#Cc1c(/N=C/c2cccc(Br)c2)oc(-c2ccco2)c1-c1ccco1 ZINC000408973900 558811803 /nfs/dbraw/zinc/81/18/03/558811803.db2.gz CHOOXMUZKOSXMW-FSJBWODESA-N 0 0 407.223 6.184 40 30 HKEBRN COC(=O)c1ccc(/C=N/c2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)cc1 ZINC000408973906 560659861 /nfs/dbraw/zinc/65/98/61/560659861.db2.gz CMFVWRZSPNACIH-OGLMXYFKSA-N 0 0 406.441 6.022 40 30 HKEBRN Cc1ccc(-c2nc(N=NCc3ccccc3Cl)sc2-c2ccccc2)cc1C ZINC000408974167 560659853 /nfs/dbraw/zinc/65/98/53/560659853.db2.gz CYHIFNXTKJVCCT-CVKSISIWSA-N 0 0 417.965 7.193 40 30 HKEBRN Cc1ccc(-c2nc(N=NC(C)c3ccccc3O)sc2-c2ccccc2)cc1C ZINC000408974228 558813239 /nfs/dbraw/zinc/81/32/39/558813239.db2.gz DMKZEDORLAIOTC-OVVQPSECSA-N 0 0 413.546 6.636 40 30 HKEBRN N#Cc1c(/N=C/c2ccc(Cl)cc2)oc(-c2ccccc2)c1-c1ccc(Cl)cc1 ZINC000408974361 558813476 /nfs/dbraw/zinc/81/34/76/558813476.db2.gz FHFMNFHANYEFFW-RWPZCVJISA-N 0 0 417.295 7.543 40 30 HKEBRN COc1ccc(CN=Nc2nc(-c3ccc(C)c(C)c3)c(-c3ccccc3)s2)cc1 ZINC000408974612 560660039 /nfs/dbraw/zinc/66/00/39/560660039.db2.gz FMVOGZMFESDOKX-WGOQTCKBSA-N 0 0 413.546 6.549 40 30 HKEBRN CCCCCCCCOc1ccc(/C=C2/C=C(c3ccc(C)c(C)c3)OC2=O)cc1 ZINC000408974639 560659995 /nfs/dbraw/zinc/65/99/95/560659995.db2.gz FTUNJOSSYKDCHB-MOHJPFBDSA-N 0 0 404.550 7.024 40 30 HKEBRN COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)C(=Cc2ccc(Cl)cc2Cl)C1=O ZINC000408975079 558813461 /nfs/dbraw/zinc/81/34/61/558813461.db2.gz JSZCBCWCZPNAFA-VXLYETTFSA-N 0 0 416.304 5.487 40 30 HKEBRN Cc1ccc(-c2nc(N=NCc3cccnc3)sc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000408975110 558813465 /nfs/dbraw/zinc/81/34/65/558813465.db2.gz HPUGKTXOEJYMMQ-ZVHZXABRSA-N 0 0 415.478 5.535 40 30 HKEBRN Cc1ccc(-c2nc(N=NCc3ccccc3)sc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000408975175 560660181 /nfs/dbraw/zinc/66/01/81/560660181.db2.gz IXBCOERCGJAGCS-BUVRLJJBSA-N 0 0 414.490 6.140 40 30 HKEBRN COc1ccc(/C=N/c2ncnc3oc(-c4ccco4)c(-c4ccco4)c32)cc1OC ZINC000408975233 558813482 /nfs/dbraw/zinc/81/34/82/558813482.db2.gz KWVSOVIVSKTOIR-WYMPLXKRSA-N 0 0 415.405 5.511 40 30 HKEBRN C=CCOc1ccc(/C=N/c2nc(-c3ccc(C4CCCCC4)cc3)cs2)cc1 ZINC000408975306 558813454 /nfs/dbraw/zinc/81/34/54/558813454.db2.gz ACZWOLKKLCMEDS-YZSQISJMSA-N 0 0 402.563 7.173 40 30 HKEBRN Cc1ccc(-c2nc(N=NC3CCCC3)sc2-c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000408975478 571308035 /nfs/dbraw/zinc/30/80/35/571308035.db2.gz MCFGSUGSIINEIZ-UHFFFAOYSA-N 0 0 406.511 6.344 40 30 HKEBRN Clc1ccc(/C=N/c2ncnc3oc(-c4ccco4)c(-c4ccco4)c32)c(Cl)c1 ZINC000408975528 560660287 /nfs/dbraw/zinc/66/02/87/560660287.db2.gz MMKOIHJMUNWUBK-YSURURNPSA-N 0 0 424.243 6.800 40 30 HKEBRN Cc1ccc(-c2nc(N=NC3CCCCC3)sc2-c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000408975556 571307975 /nfs/dbraw/zinc/30/79/75/571307975.db2.gz MZQGUYZFOATQFW-UHFFFAOYSA-N 0 0 420.538 6.734 40 30 HKEBRN Cc1ccc(-c2nc(N=NC=CCc3ccccc3)sc2-c2ccccc2)cc1C ZINC000408975594 558813632 /nfs/dbraw/zinc/81/36/32/558813632.db2.gz NQAAQUKPCFSQMY-OBZSEMDPSA-N 0 0 409.558 7.205 40 30 HKEBRN CCCCCCCCNC(=O)c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1 ZINC000408975693 560660292 /nfs/dbraw/zinc/66/02/92/560660292.db2.gz CGUDXQWIJABVLY-UHFFFAOYSA-N 0 0 417.509 6.240 40 30 HKEBRN Clc1ccc(CN=Nc2nc(-c3ccco3)c(-c3ccco3)s2)c(Cl)c1 ZINC000408975814 558815584 /nfs/dbraw/zinc/81/55/84/558815584.db2.gz NVWXADZMQLPKMJ-FBHDLOMBSA-N 0 0 404.278 6.416 40 30 HKEBRN COC(=O)c1ccc(/C=N/c2ncnc3oc(-c4ccco4)c(-c4ccco4)c32)cc1 ZINC000408975815 558815622 /nfs/dbraw/zinc/81/56/22/558815622.db2.gz NWHPLQRHYHZOGH-WYMPLXKRSA-N 0 0 413.389 5.280 40 30 HKEBRN O=[N+]([O-])c1ccc(/C=N/c2ncnc3oc(-c4ccco4)c(-c4ccco4)c32)cc1 ZINC000408975877 558817954 /nfs/dbraw/zinc/81/79/54/558817954.db2.gz OQVLXNKPRZPRHV-SSDVNMTOSA-N 0 0 400.350 5.402 40 30 HKEBRN CCOc1cc(/C=N/c2nc(-c3ccc(C4CCCCC4)cc3)cs2)ccc1OC ZINC000408975999 558819799 /nfs/dbraw/zinc/81/97/99/558819799.db2.gz DMBFDIADEDBWBV-WGOQTCKBSA-N 0 0 420.578 7.016 40 30 HKEBRN CCOc1cc(-c2c(C#N)c(N)nc3c2CCCC3)ccc1OCc1cccc(F)c1 ZINC000408976288 571310773 /nfs/dbraw/zinc/31/07/73/571310773.db2.gz AJZQHQRDVLPXOU-UHFFFAOYSA-N 0 0 417.484 5.198 40 30 HKEBRN CCCCCCCCNC(=S)Nc1ccc2sc3nc4ccccc4nc3c2c1 ZINC000408976302 558820065 /nfs/dbraw/zinc/82/00/65/558820065.db2.gz QNYQNOQENQTZDE-UHFFFAOYSA-N 0 0 422.623 6.645 40 30 HKEBRN COc1ccc(COc2ccc(-c3c(C#N)c(N)nc(C)c3-c3ccccc3)cc2)cc1 ZINC000408976415 571310665 /nfs/dbraw/zinc/31/06/65/571310665.db2.gz ATMQZAZQKIWYPQ-UHFFFAOYSA-N 0 0 421.500 5.766 40 30 HKEBRN N#Cc1c2c(sc1/N=C/c1cn(Cc3ccccc3F)c3ccccc13)CCCC2 ZINC000408976498 560660479 /nfs/dbraw/zinc/66/04/79/560660479.db2.gz ROVAVAYLMKHZDG-CCVNUDIWSA-N 0 0 413.521 6.391 40 30 HKEBRN Oc1ccc2ccccc2c1/C=N/c1nc(-c2ccc(C3CCCCC3)cc2)cs1 ZINC000408976500 560660490 /nfs/dbraw/zinc/66/04/90/560660490.db2.gz FUEPKYOIVGVSHE-JVWAILMASA-N 0 0 412.558 7.467 40 30 HKEBRN CCOc1ccc(/C=N/c2nc(-c3ccc(C4CCCCC4)cc3)cs2)cc1OC ZINC000408976504 560660514 /nfs/dbraw/zinc/66/05/14/560660514.db2.gz FUICZWOIBANYCL-WGOQTCKBSA-N 0 0 420.578 7.016 40 30 HKEBRN CCCCCCCCNC(=S)Nc1ccc2[nH]c3nc4ccccc4nc3c2c1 ZINC000408976548 558822406 /nfs/dbraw/zinc/82/24/06/558822406.db2.gz SBLBGGLSEIETLL-UHFFFAOYSA-N 0 0 405.571 5.911 40 30 HKEBRN CCOc1cc(-c2c(C#N)c(N)nc3c2CCCC3)ccc1OCc1ccc(F)cc1 ZINC000408976619 571310806 /nfs/dbraw/zinc/31/08/06/571310806.db2.gz BGQKKGDSYPMLCV-UHFFFAOYSA-N 0 0 417.484 5.198 40 30 HKEBRN O=C1c2ccccc2S/C1=C\c1ccc(OCc2ccccc2)c(Br)c1 ZINC000408976686 560660459 /nfs/dbraw/zinc/66/04/59/560660459.db2.gz SJHJMQXPACFSHK-BKUYFWCQSA-N 0 0 423.331 6.358 40 30 HKEBRN Cc1ccc(CN=Nc2nc(-c3ccc(C)cc3)c(-c3ccc([N+](=O)[O-])cc3)s2)o1 ZINC000408976693 560660477 /nfs/dbraw/zinc/66/04/77/560660477.db2.gz SJNUEYNFONLADP-YDZHTSKRSA-N 0 0 418.478 6.041 40 30 HKEBRN CC(C)COc1ccc(/C=N/c2nc(-c3ccc(C4CCCCC4)cc3)cs2)cc1 ZINC000408976769 558822390 /nfs/dbraw/zinc/82/23/90/558822390.db2.gz GJYKUYFTISDGFE-JVWAILMASA-N 0 0 418.606 7.643 40 30 HKEBRN Clc1cccc(/C=N/c2nc(-c3ccc(C4CCCCC4)cc3)cs2)c1Cl ZINC000408976941 560660637 /nfs/dbraw/zinc/66/06/37/560660637.db2.gz HEPVOWZHGYLAQZ-DHRITJCHSA-N 0 0 415.389 7.915 40 30 HKEBRN Cc1nc(N)c(C#N)c(-c2ccc(OCC(C)C)c3ccccc32)c1-c1ccccc1 ZINC000408977057 571310906 /nfs/dbraw/zinc/31/09/06/571310906.db2.gz CPIHBOKCOHINGO-UHFFFAOYSA-N 0 0 407.517 6.366 40 30 HKEBRN N#Cc1c(N)nc2c(c1-c1c(OCc3ccccc3)ccc3ccccc31)CCCC2 ZINC000408977066 571310890 /nfs/dbraw/zinc/31/08/90/571310890.db2.gz CRVIGOAEDGUQCU-UHFFFAOYSA-N 0 0 405.501 5.813 40 30 HKEBRN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@@H]2c1ccc(N2CCCC2)cc1 ZINC000408977227 558822746 /nfs/dbraw/zinc/82/27/46/558822746.db2.gz WBHSVALDDJWATG-MUUNZHRXSA-N 0 0 422.572 6.750 40 30 HKEBRN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@H]2c1ccc(N2CCCC2)cc1 ZINC000408977229 560660636 /nfs/dbraw/zinc/66/06/36/560660636.db2.gz WBHSVALDDJWATG-NDEPHWFRSA-N 0 0 422.572 6.750 40 30 HKEBRN Cc1nn(-c2ccccc2)c(C)c1/N=C/c1c(O)ccc2cc(Br)ccc21 ZINC000408977323 560660604 /nfs/dbraw/zinc/66/06/04/560660604.db2.gz VJUVXCSUJPKHNR-ZMOGYAJESA-N 0 0 420.310 5.861 40 30 HKEBRN C=CCOc1ccc(-c2c(C#N)c(N)ncc2-c2ccccc2)cc1Br ZINC000408977360 571310660 /nfs/dbraw/zinc/31/06/60/571310660.db2.gz CZSQEKVIPHEARK-UHFFFAOYSA-N 0 0 406.283 5.197 40 30 HKEBRN CCOC(=O)c1ccc(-c2ccc(/C=N/c3sc4c(c3C#N)CCCC4)o2)cc1 ZINC000408977384 558822755 /nfs/dbraw/zinc/82/27/55/558822755.db2.gz IOCVEALFFKMDRI-AFUMVMLFSA-N 0 0 404.491 5.686 40 30 HKEBRN C=CCOc1ccc(-c2c(C#N)c(N)nc(C)c2-c2ccccc2)cc1Br ZINC000408977480 571310605 /nfs/dbraw/zinc/31/06/05/571310605.db2.gz DQMBCNXMDYDPHF-UHFFFAOYSA-N 0 0 420.310 5.505 40 30 HKEBRN CCCCCCCCOc1ccc(/C=C2/C=C(c3cc(C)ccc3C)OC2=O)cc1 ZINC000408977623 558822872 /nfs/dbraw/zinc/82/28/72/558822872.db2.gz WVDDDMXQZFXGAM-NKFKGCMQSA-N 0 0 404.550 7.024 40 30 HKEBRN COc1cc(-c2c(C#N)c(N)nc(C)c2-c2ccccc2)ccc1OCc1ccccc1 ZINC000408977772 571310751 /nfs/dbraw/zinc/31/07/51/571310751.db2.gz FNTRZXQXIIBEOY-UHFFFAOYSA-N 0 0 421.500 5.766 40 30 HKEBRN N#Cc1c(N)ncc(-c2ccccc2)c1-c1cn(Cc2ccccc2)c2ccccc12 ZINC000408977968 571310904 /nfs/dbraw/zinc/31/09/04/571310904.db2.gz GKRZYKUDAPGBSX-UHFFFAOYSA-N 0 0 400.485 5.872 40 30 HKEBRN COc1cc(-c2c(C#N)c(N)ncc2-c2ccccc2)ccc1OCc1cccc(C)c1 ZINC000408977970 571310689 /nfs/dbraw/zinc/31/06/89/571310689.db2.gz GKYMICYAICNISH-UHFFFAOYSA-N 0 0 421.500 5.766 40 30 HKEBRN COc1ccc(COc2ccc(-c3c(C#N)c(N)ncc3-c3ccccc3)cc2)cc1 ZINC000408978006 571310619 /nfs/dbraw/zinc/31/06/19/571310619.db2.gz GPQZVGYJTFGTMJ-UHFFFAOYSA-N 0 0 407.473 5.457 40 30 HKEBRN Cc1nc(N)c(C#N)c(-c2ccc(OCc3ccccc3C#N)cc2)c1-c1ccccc1 ZINC000408978289 571310911 /nfs/dbraw/zinc/31/09/11/571310911.db2.gz HTGKSWBFKOLORX-UHFFFAOYSA-N 0 0 416.484 5.629 40 30 HKEBRN Brc1ccc(CN=Nc2nc(-c3ccco3)c(-c3ccco3)s2)cc1 ZINC000408978398 560660401 /nfs/dbraw/zinc/66/04/01/560660401.db2.gz ZKTUAMXGCXIRLR-JAIQZWGSSA-N 0 0 414.284 5.872 40 30 HKEBRN Cc1ccc(C(C)N=Nc2nc(-c3ccc(C)c(C)c3)c(-c3ccccc3)s2)cc1 ZINC000408978429 558824388 /nfs/dbraw/zinc/82/43/88/558824388.db2.gz ZUOWAPNTJMNZTF-VFCFBJKWSA-N 0 0 411.574 7.238 40 30 HKEBRN Cc1ccc(/C=N/c2nc(-c3ccc(C4CCCCC4)cc3)cs2)cc1[N+](=O)[O-] ZINC000408978447 560661232 /nfs/dbraw/zinc/66/12/32/560661232.db2.gz MDJBRBMYXUZXGG-ZVHZXABRSA-N 0 0 405.523 6.825 40 30 HKEBRN Clc1ccc(/C=N/c2nc(-c3ccc(C4CCCCC4)cc3)cs2)c(Cl)c1 ZINC000408978605 560661228 /nfs/dbraw/zinc/66/12/28/560661228.db2.gz NBSQQLLESNNWSM-DHRITJCHSA-N 0 0 415.389 7.915 40 30 HKEBRN O=C(NCc1ccccc1)c1c(/N=C/C=C/c2ccccc2)sc2c1CCCC2 ZINC000408978668 560661202 /nfs/dbraw/zinc/66/12/02/560661202.db2.gz AIQJVSRFAFDFJA-HDIRMATHSA-N 0 0 400.547 5.973 40 30 HKEBRN N#Cc1c(N)ncc(-c2ccccc2)c1-c1cn(Cc2ccc(F)cc2)c2ccccc12 ZINC000408978766 571310861 /nfs/dbraw/zinc/31/08/61/571310861.db2.gz JXZYDLVMUIKXMS-UHFFFAOYSA-N 0 0 418.475 6.012 40 30 HKEBRN N#Cc1c(N)ncc(-c2ccccc2)c1-c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000408978807 571310898 /nfs/dbraw/zinc/31/08/98/571310898.db2.gz KJLRILVWZUSNGV-UHFFFAOYSA-N 0 0 422.444 5.357 40 30 HKEBRN C=CCN(CC=C)C(=O)c1ccc2nc(-c3cccs3)c(-c3cccs3)nc2c1 ZINC000408978839 560661218 /nfs/dbraw/zinc/66/12/18/560661218.db2.gz NMNDAKAOBTZPOH-UHFFFAOYSA-N 0 0 417.559 5.901 40 30 HKEBRN N#Cc1ccccc1COc1ccc(-c2c(C#N)c(N)ncc2-c2ccccc2)cc1 ZINC000408979058 571310953 /nfs/dbraw/zinc/31/09/53/571310953.db2.gz LAKHYVRWVRGECX-UHFFFAOYSA-N 0 0 402.457 5.320 40 30 HKEBRN CCOc1cc(-c2c(C#N)c(N)nc3c2CCCC3)ccc1OCc1cccc(C)c1 ZINC000408979103 571310754 /nfs/dbraw/zinc/31/07/54/571310754.db2.gz LIIWFFRPKHXBKB-UHFFFAOYSA-N 0 0 413.521 5.367 40 30 HKEBRN Cc1nc(N)c(C#N)c(-c2ccc(OCc3cccc(F)c3)cc2)c1-c1ccccc1 ZINC000408979108 571310910 /nfs/dbraw/zinc/31/09/10/571310910.db2.gz LJMIRIXSLCZUMJ-UHFFFAOYSA-N 0 0 409.464 5.896 40 30 HKEBRN Clc1cccc(Cl)c1/C=N/c1nc(-c2ccc(C3CCCCC3)cc2)cs1 ZINC000408979143 560661341 /nfs/dbraw/zinc/66/13/41/560661341.db2.gz PAESJZHXFBYVKO-DHRITJCHSA-N 0 0 415.389 7.915 40 30 HKEBRN Cc1nc(N)c(C#N)c(-c2cn(Cc3ccccc3)c3ccccc23)c1-c1ccccc1 ZINC000408979251 571310855 /nfs/dbraw/zinc/31/08/55/571310855.db2.gz LTMBQDWAEGBIKZ-UHFFFAOYSA-N 0 0 414.512 6.181 40 30 HKEBRN COc1cc(-c2c(C#N)c(N)ncc2-c2ccccc2)ccc1OCc1ccccc1 ZINC000408979271 571310770 /nfs/dbraw/zinc/31/07/70/571310770.db2.gz LXZCZXTVOUEFBG-UHFFFAOYSA-N 0 0 407.473 5.457 40 30 HKEBRN NC(=O)COc1ccc(/C=N/c2nc(-c3ccc(C4CCCCC4)cc3)cs2)cc1 ZINC000408979405 560661335 /nfs/dbraw/zinc/66/13/35/560661335.db2.gz QKFAHANWBLZYTM-VULFUBBASA-N 0 0 419.550 5.473 40 30 HKEBRN CCCOc1ccc(/C=N\c2sc3c(c2C(=O)NC2CCCCC2)CCCC3)cc1 ZINC000408979414 560661291 /nfs/dbraw/zinc/66/12/91/560661291.db2.gz CKUGMIFVJJGSTD-ONUIUJJFSA-N 0 0 424.610 6.229 40 30 HKEBRN C=CCN(C(=O)c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1)c1ccccc1 ZINC000408979471 560661337 /nfs/dbraw/zinc/66/13/37/560661337.db2.gz QUWUDMKTCCIEOQ-UHFFFAOYSA-N 0 0 421.456 5.983 40 30 HKEBRN N#CCOc1ccc(/C=N/c2nc(-c3ccc(C4CCCCC4)cc3)cs2)cc1 ZINC000408979487 560661330 /nfs/dbraw/zinc/66/13/30/560661330.db2.gz RBMOYNHAARXIHG-WGOQTCKBSA-N 0 0 401.535 6.511 40 30 HKEBRN CCN(CC)c1ccc(/C=N/c2nc(-c3ccc(C4CCCCC4)cc3)cs2)cc1 ZINC000408979494 558825515 /nfs/dbraw/zinc/82/55/15/558825515.db2.gz RDAYUYCFIFCEMB-OVVQPSECSA-N 0 0 417.622 7.455 40 30 HKEBRN Clc1cc2c(cc1/C=N/c1nc(-c3ccc(C4CCCCC4)cc3)cs1)OCO2 ZINC000408979498 558825465 /nfs/dbraw/zinc/82/54/65/558825465.db2.gz RDSIVIXCWZNMKH-BRJLIKDPSA-N 0 0 424.953 6.991 40 30 HKEBRN COc1ccc(/C=N/c2nc(-c3ccc(C4CCCCC4)cc3)cs2)c(OC)c1 ZINC000408979758 558825660 /nfs/dbraw/zinc/82/56/60/558825660.db2.gz SCTLCDVYTWSHOJ-MFKUBSTISA-N 0 0 406.551 6.626 40 30 HKEBRN COc1ccc(Cl)cc1/C=N/c1nc(-c2ccc(C3CCCCC3)cc2)cs1 ZINC000408980036 558825874 /nfs/dbraw/zinc/82/58/74/558825874.db2.gz TVVBWOSMMMWVIL-AFUMVMLFSA-N 0 0 410.970 7.270 40 30 HKEBRN C=CCN(C(=O)c1ccc2nc(-c3ccc[nH]3)c(-c3ccc[nH]3)nc2c1)c1ccccc1 ZINC000408980049 560661405 /nfs/dbraw/zinc/66/14/05/560661405.db2.gz UAVNQQCTWUHMSY-UHFFFAOYSA-N 0 0 419.488 5.453 40 30 HKEBRN COc1ccc(/C=N/c2nc(-c3ccc(C4CCCCC4)cc3)cs2)cc1OC ZINC000408980095 558825778 /nfs/dbraw/zinc/82/57/78/558825778.db2.gz UQRIVNGWTRWWGP-MFKUBSTISA-N 0 0 406.551 6.626 40 30 HKEBRN CCCOc1ccc(/C=C2\S/C(=N/c3ccccc3)N(C3CCCCC3)C2=O)cc1 ZINC000408980201 558825914 /nfs/dbraw/zinc/82/59/14/558825914.db2.gz FCFVIUSNYCQKRB-LEGXJBLQSA-N 0 0 420.578 6.412 40 30 HKEBRN N#Cc1c(N)ncc(-c2ccccc2)c1-c1ccc(OCc2ccccc2Cl)cc1 ZINC000408980202 571310888 /nfs/dbraw/zinc/31/08/88/571310888.db2.gz PTYLFJLICFUOSN-UHFFFAOYSA-N 0 0 411.892 6.102 40 30 HKEBRN COc1ccc(OC)c(/C=N/c2nc(-c3ccc(C4CCCCC4)cc3)cs2)c1 ZINC000408980345 560661424 /nfs/dbraw/zinc/66/14/24/560661424.db2.gz VPLVSGDTPGRTFH-MFKUBSTISA-N 0 0 406.551 6.626 40 30 HKEBRN COc1cccc(/C=N/c2nc(-c3ccc(C4CCCCC4)cc3)cs2)c1OC ZINC000408980387 560661427 /nfs/dbraw/zinc/66/14/27/560661427.db2.gz WCEZDMWTXWQDPG-MFKUBSTISA-N 0 0 406.551 6.626 40 30 HKEBRN CCCCCCCCNC(=O)c1ccc2nc(-c3ccc[nH]3)c(-c3ccc[nH]3)nc2c1 ZINC000408980391 560661435 /nfs/dbraw/zinc/66/14/35/560661435.db2.gz WEFXGGHSTRAUOH-UHFFFAOYSA-N 0 0 415.541 5.710 40 30 HKEBRN CCOc1cc(/C=N/c2nc(-c3ccc(C4CCCCC4)cc3)cs2)ccc1O ZINC000408980401 558826174 /nfs/dbraw/zinc/82/61/74/558826174.db2.gz WHLWVBNWDPNPGR-MFKUBSTISA-N 0 0 406.551 6.713 40 30 HKEBRN Cc1ccc(/N=C2\S/C(=C\c3ccccc3)C(=O)N2c2ccc(C)c(C)c2)cc1C ZINC000408980408 560661428 /nfs/dbraw/zinc/66/14/28/560661428.db2.gz WKCDFNZJXHHTAP-LMTJQJACSA-N 0 0 412.558 6.729 40 30 HKEBRN COc1ccc(/C=N/c2nc(-c3ccc(C4CCCCC4)cc3)cs2)cc1[N+](=O)[O-] ZINC000408980768 560660893 /nfs/dbraw/zinc/66/08/93/560660893.db2.gz XGPAYKXGKHQHLO-ZVHZXABRSA-N 0 0 421.522 6.525 40 30 HKEBRN COc1ccc(/C=N/c2nc(-c3ccc(C4CCCCC4)cc3)cs2)c(C(C)C)c1 ZINC000408980793 560660889 /nfs/dbraw/zinc/66/08/89/560660889.db2.gz XODIYKKBYAXZNH-JVWAILMASA-N 0 0 418.606 7.740 40 30 HKEBRN Cc1cc(C)c(COc2ccc(-c3c(C#N)c(N)ncc3-c3ccccc3)cc2)c(C)c1 ZINC000408980904 571310886 /nfs/dbraw/zinc/31/08/86/571310886.db2.gz UFEASJFQPGBDGZ-UHFFFAOYSA-N 0 0 419.528 6.374 40 30 HKEBRN O=C1/C(=C\C=C\c2ccccc2)S/C(=N/Cc2ccccc2)N1Cc1ccccc1 ZINC000408980939 558826936 /nfs/dbraw/zinc/82/69/36/558826936.db2.gz GRCQARBZLDXPFY-BNRAFYPCSA-N 0 0 410.542 5.916 40 30 HKEBRN CCOc1cc(-c2c(C#N)c(N)ncc2-c2ccccc2)ccc1OCc1ccccc1 ZINC000408980986 571310741 /nfs/dbraw/zinc/31/07/41/571310741.db2.gz UQZBDXACPQXDKL-UHFFFAOYSA-N 0 0 421.500 5.847 40 30 HKEBRN N#Cc1c(N)ncc(-c2ccccc2)c1-c1ccccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408981182 571310875 /nfs/dbraw/zinc/31/08/75/571310875.db2.gz VBQQDBAWMNRENC-UHFFFAOYSA-N 0 0 422.444 5.357 40 30 HKEBRN Cc1cccc(COc2ccc(-c3c(C#N)c(N)nc(C)c3-c3ccccc3)cc2)c1 ZINC000408981276 571310822 /nfs/dbraw/zinc/31/08/22/571310822.db2.gz VOMCRJYAMRNQNB-UHFFFAOYSA-N 0 0 405.501 6.065 40 30 HKEBRN O=C(Oc1ccc(CN=Nc2nc(-c3ccccc3)cs2)cc1)c1ccccc1F ZINC000408981845 558827331 /nfs/dbraw/zinc/82/73/31/558827331.db2.gz CGZUNMUEWURQDR-AFUMVMLFSA-N 0 0 417.465 5.614 40 30 HKEBRN Clc1cccc(Cl)c1COc1ccc(C=NN=c2[nH]c3ccccc3o2)cc1 ZINC000408982248 558831909 /nfs/dbraw/zinc/83/19/09/558831909.db2.gz CXOPVQHWCMPKBQ-WYMPLXKRSA-N 0 0 412.276 6.160 40 30 HKEBRN O=C1ON=C(c2ccccc2)/C1=C/c1ccc(OCc2c(Cl)cccc2Cl)cc1 ZINC000408982263 560661120 /nfs/dbraw/zinc/66/11/20/560661120.db2.gz CZDLSWWWGDLYEQ-AQTBWJFISA-N 0 0 424.283 5.917 40 30 HKEBRN Cc1nc(N)c(C#N)c(-c2ccc(OCc3ccc(F)cc3)cc2)c1-c1ccccc1 ZINC000408982705 571310812 /nfs/dbraw/zinc/31/08/12/571310812.db2.gz YQQIWBCBCBGFCK-UHFFFAOYSA-N 0 0 409.464 5.896 40 30 HKEBRN Cc1cccc(Cn2cc(-c3c(C#N)c(N)ncc3-c3ccccc3)c3ccccc32)c1 ZINC000408982833 571310876 /nfs/dbraw/zinc/31/08/76/571310876.db2.gz ZIMVFDSRPIBZEU-UHFFFAOYSA-N 0 0 414.512 6.181 40 30 HKEBRN N#Cc1c(N)nc2c(c1-c1ccc(OCc3cccc4ccccc43)cc1)CCCC2 ZINC000408982840 571310835 /nfs/dbraw/zinc/31/08/35/571310835.db2.gz ZLJLLFBOJAIYEE-UHFFFAOYSA-N 0 0 405.501 5.813 40 30 HKEBRN Cc1nc(N=NCc2ccc(OCc3ccc(Cl)cc3Cl)cc2)sc1C ZINC000408982849 558834146 /nfs/dbraw/zinc/83/41/46/558834146.db2.gz FNTRSONGVDGUBX-LSHDLFTRSA-N 0 0 406.338 6.092 40 30 HKEBRN N#Cc1ccc(N2C(=O)/C(=C/c3ccc(Cl)cc3Cl)C=C2c2ccccc2)cc1 ZINC000408983388 558835095 /nfs/dbraw/zinc/83/50/95/558835095.db2.gz BMYZCXGMJNJQFN-XDHOZWIPSA-N 0 0 417.295 6.336 40 30 HKEBRN COc1cc(/C=C2\Sc3ccccc3C2=O)ccc1OCc1c(C)cc(C)cc1C ZINC000408984639 558836890 /nfs/dbraw/zinc/83/68/90/558836890.db2.gz ITNACYITAOEFKD-QFEZKATASA-N 0 0 416.542 6.529 40 30 HKEBRN CCCCCCOc1ccc(CN=Nc2nc(-c3ccccc3)cs2)cc1OC ZINC000408984751 558836887 /nfs/dbraw/zinc/83/68/87/558836887.db2.gz JUQWGVKPFZHTHO-LFVJCYFKSA-N 0 0 409.555 6.224 40 30 HKEBRN Cc1ccc(-c2cnc(N)c(C#N)c2-c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1 ZINC000408985329 571310918 /nfs/dbraw/zinc/31/09/18/571310918.db2.gz LKUNXDHXAXECOR-UHFFFAOYSA-N 0 0 413.565 6.479 40 30 HKEBRN Cc1cccc(N=C2NC(=O)/C(=C/c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)S2)c1 ZINC000408985379 560661516 /nfs/dbraw/zinc/66/15/16/560661516.db2.gz LRTUHGHVOIQDGQ-ZHZULCJRSA-N 0 0 422.594 6.187 40 30 HKEBRN CCOc1cc(-c2c(C#N)c(N)ncc2-c2ccc(C)cc2)ccc1OCC(C)C ZINC000408985579 571310712 /nfs/dbraw/zinc/31/07/12/571310712.db2.gz NCLGQZWNVRZLEC-UHFFFAOYSA-N 0 0 401.510 5.611 40 30 HKEBRN Cc1ccccc1N=C1NC(=O)/C(=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)S1 ZINC000408986276 558838004 /nfs/dbraw/zinc/83/80/04/558838004.db2.gz PJZHZKCGPRZHPU-ZHZULCJRSA-N 0 0 422.594 6.187 40 30 HKEBRN CCCOc1ccc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1 ZINC000408986679 560661714 /nfs/dbraw/zinc/66/17/14/560661714.db2.gz CVUQMSASZANZLQ-CUHSDLGESA-N 0 0 414.530 6.284 40 30 HKEBRN COc1ccc(OC)c(COc2ccc(/C=C3\Sc4ccccc4C3=O)cc2)c1 ZINC000408987279 558839387 /nfs/dbraw/zinc/83/93/87/558839387.db2.gz VTWWAZPOPSJWAA-QRVIBDJDSA-N 0 0 404.487 5.612 40 30 HKEBRN FC(F)(F)c1ccc(CN=Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)cc1 ZINC000408987328 560661744 /nfs/dbraw/zinc/66/17/44/560661744.db2.gz OCBLFSXHELLQQB-JFLMPSFJSA-N 0 0 423.463 6.942 40 30 HKEBRN FC(F)(F)c1ccccc1CN=Nc1nc(-c2ccccc2)c(-c2ccccc2)s1 ZINC000408987908 558840279 /nfs/dbraw/zinc/84/02/79/558840279.db2.gz PKWPLHSKQFYFJI-JFLMPSFJSA-N 0 0 423.463 6.942 40 30 HKEBRN Cc1cc(C)cc(N=C2NC(=O)/C(=C/c3ccc(Sc4ccccn4)o3)S2)c1 ZINC000408988990 560662518 /nfs/dbraw/zinc/66/25/18/560662518.db2.gz GGRKCZGPDIGQMX-ATVHPVEESA-N 0 0 407.520 5.334 40 30 HKEBRN CCOc1cc(/C=C2\SC(=Nc3ccc(C)cc3)NC2=O)ccc1OCC(C)C ZINC000408989409 560662105 /nfs/dbraw/zinc/66/21/05/560662105.db2.gz KPOQHODCTIJNLS-BKUYFWCQSA-N 0 0 410.539 5.320 40 30 HKEBRN O=C1NC(=Nc2ccc(Cl)cc2)S/C1=C\c1ccc(Sc2ccccn2)o1 ZINC000408989419 560662091 /nfs/dbraw/zinc/66/20/91/560662091.db2.gz HRFFYIGPOWSYIR-PTNGSMBKSA-N 0 0 413.911 5.371 40 30 HKEBRN C=CCOc1cccc(/C=C2\C(=O)N(c3ccc(C(C)C)cc3)C(C)=C2C(=O)OC)c1 ZINC000408989587 558842407 /nfs/dbraw/zinc/84/24/07/558842407.db2.gz UDLVNKVYSZCQNW-KQWNVCNZSA-N 0 0 417.505 5.252 40 30 HKEBRN Cc1nc(N=NCc2ccc(OCc3c(Cl)cccc3Cl)cc2)sc1C ZINC000408990342 560662180 /nfs/dbraw/zinc/66/21/80/560662180.db2.gz XBIXLKIAQUXTCX-LSHDLFTRSA-N 0 0 406.338 6.092 40 30 HKEBRN Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(Sc4ccccn4)o3)S2)c(C)c1 ZINC000408990343 558845385 /nfs/dbraw/zinc/84/53/85/558845385.db2.gz KSMFQCSRHSXAIB-ATVHPVEESA-N 0 0 407.520 5.334 40 30 HKEBRN Clc1cccc(Cl)c1COc1ccc(C=NNc2nc3ccccc3[nH]2)cc1 ZINC000408990382 558845862 /nfs/dbraw/zinc/84/58/62/558845862.db2.gz XHDRBIHFNCUEGS-WYMPLXKRSA-N 0 0 411.292 5.895 40 30 HKEBRN CCCOc1ccc(/C=N\c2sc3c(c2C(=O)NCc2ccco2)CCCC3)cc1 ZINC000408990942 560662330 /nfs/dbraw/zinc/66/23/30/560662330.db2.gz XDKDVUUDYRPBTQ-YSMPRRRNSA-N 0 0 422.550 5.689 40 30 HKEBRN Cc1ccc(-c2csc(N=NCc3ccc(OCc4ccccc4F)cc3)n2)cc1 ZINC000408991097 560662332 /nfs/dbraw/zinc/66/23/32/560662332.db2.gz ZAQILHWMNRLCBO-WGARJPEWSA-N 0 0 417.509 6.283 40 30 HKEBRN COc1cc(C=C2C(=O)CC(C)(C)CC2=O)ccc1OCc1c(C)cc(C)cc1C ZINC000408991582 560662329 /nfs/dbraw/zinc/66/23/29/560662329.db2.gz QOZSDPFGKNKXAA-UHFFFAOYSA-N 0 0 406.522 5.541 40 30 HKEBRN CCOc1cc(/C=C2\SC(=Nc3ccc(F)cc3)NC2=O)ccc1OCC(C)C ZINC000408991942 558851895 /nfs/dbraw/zinc/85/18/95/558851895.db2.gz RPUUIYZKOFCARS-NDENLUEZSA-N 0 0 414.502 5.151 40 30 HKEBRN COc1cc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)ccc1C ZINC000408992145 560662369 /nfs/dbraw/zinc/66/23/69/560662369.db2.gz SCNZJMJCKDVBRX-WMOWQXFYSA-N 0 0 400.503 5.812 40 30 HKEBRN Cc1cc2c(cc1/C=C1\S/C(=N\c3ccccc3)N(c3ccccc3)C1=O)OCO2 ZINC000408992235 558852060 /nfs/dbraw/zinc/85/20/60/558852060.db2.gz SMRMBNASAFNQJN-BTRCZGFISA-N 0 0 414.486 5.532 40 30 HKEBRN C=CCc1cc(/C=N/c2sc3c(c2C(=O)NC2CCCCC2)CCCC3)ccc1O ZINC000408992336 560662388 /nfs/dbraw/zinc/66/23/88/560662388.db2.gz AGDSSPVXKHVDIG-WGOQTCKBSA-N 0 0 422.594 5.874 40 30 HKEBRN Cc1ccsc1/C=C1\S/C(=N\Cc2ccccc2)N(Cc2ccccc2)C1=O ZINC000408992565 558852063 /nfs/dbraw/zinc/85/20/63/558852063.db2.gz AMOLQJDYYLOYJJ-PZUCIDFCSA-N 0 0 404.560 5.729 40 30 HKEBRN Cc1cc(C=NNc2ccc([N+](=O)[O-])cc2)c(C)n1-c1sc2c(c1C#N)CCCC2 ZINC000408992816 560662914 /nfs/dbraw/zinc/66/29/14/560662914.db2.gz CGEGPLVTPYFWDJ-CFRMEGHHSA-N 0 0 419.510 5.260 40 30 HKEBRN Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(Sc4ccccn4)o3)S2)cc1C ZINC000408992905 558852233 /nfs/dbraw/zinc/85/22/33/558852233.db2.gz UCVUGWFSIZDRNL-ATVHPVEESA-N 0 0 407.520 5.334 40 30 HKEBRN Cc1nn(-c2cccc3ccccc32)c(C)c1C=NNc1ccc(Br)cc1 ZINC000408993058 558852458 /nfs/dbraw/zinc/85/24/58/558852458.db2.gz BSAHTJDFBZKWOK-OYKKKHCWSA-N 0 0 419.326 5.851 40 30 HKEBRN Cc1nn(-c2ccc(C)cc2C)c(C)c1C=NNc1c(Cl)cc(Cl)cc1Cl ZINC000408993408 558852542 /nfs/dbraw/zinc/85/25/42/558852542.db2.gz DPSWYFKHLLCGOL-VROXFSQNSA-N 0 0 421.759 6.512 40 30 HKEBRN Cc1ccc(C)c(N=C2NC(=O)/C(=C/c3ccc(Sc4ccccn4)o3)S2)c1 ZINC000408993516 558852602 /nfs/dbraw/zinc/85/26/02/558852602.db2.gz VWFXWWKCGOYDTC-ATVHPVEESA-N 0 0 407.520 5.334 40 30 HKEBRN C=CCc1cc(/C=C2/S/C(=N/c3ccccc3)N(C3CCCCC3)C2=O)ccc1O ZINC000408993684 558852600 /nfs/dbraw/zinc/85/26/00/558852600.db2.gz DZIVVLFZLJRJIH-AOUVVKEYSA-N 0 0 418.562 6.057 40 30 HKEBRN CCCCCCCCNC(=O)Nc1ccc2sc3nc4ccccc4nc3c2c1 ZINC000408994187 558852785 /nfs/dbraw/zinc/85/27/85/558852785.db2.gz HAIRXDCQPVSMRO-UHFFFAOYSA-N 0 0 406.555 6.480 40 30 HKEBRN CCOc1cc(C=C2C(=O)CC(C)(C)CC2=O)ccc1OCc1c(C)cc(C)cc1C ZINC000408994322 560663143 /nfs/dbraw/zinc/66/31/43/560663143.db2.gz YLSVJFKYTOTSID-UHFFFAOYSA-N 0 0 420.549 5.931 40 30 HKEBRN Cc1nn(-c2ccc(C)cc2)c(C)c1C=NNc1c(Cl)cc(Cl)cc1Cl ZINC000408995112 560662550 /nfs/dbraw/zinc/66/25/50/560662550.db2.gz JCAVWTQJLPOJFG-RMORIDSASA-N 0 0 407.732 6.204 40 30 HKEBRN Cc1c2ccccc2c(/C=N/n2cnc3sc4c(c3c2=O)CCCC4)c2ccccc12 ZINC000408995184 560662559 /nfs/dbraw/zinc/66/25/59/560662559.db2.gz AOILNVKCSYPRDU-CCVNUDIWSA-N 0 0 423.541 5.834 40 30 HKEBRN CCCCCCCCNC(=S)Nc1ccc2nc3cc4c(cc3nc2c1)OCCO4 ZINC000408995514 558852701 /nfs/dbraw/zinc/85/27/01/558852701.db2.gz ARLLQAVMXRDGBA-UHFFFAOYSA-N 0 0 424.570 5.201 40 30 HKEBRN Cc1cc(C=NNc2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccccc1Br ZINC000408995560 560662631 /nfs/dbraw/zinc/66/26/31/560662631.db2.gz BADIEBVWVCRSPR-MTJSOVHGSA-N 0 0 413.275 5.211 40 30 HKEBRN Cc1ccc(N=C2NC(=O)/C(=C\c3c4ccccc4c(C)c4ccccc34)S2)c(C)c1 ZINC000408995705 560662590 /nfs/dbraw/zinc/66/25/90/560662590.db2.gz DHFDMMCIYKAICN-MFKUBSTISA-N 0 0 422.553 6.810 40 30 HKEBRN COc1ccc(N=C2NC(=O)/C(=C\c3c4ccccc4c(C)c4ccccc34)S2)cc1 ZINC000408995799 558852890 /nfs/dbraw/zinc/85/28/90/558852890.db2.gz DWEVXZDKEHJISA-BUVRLJJBSA-N 0 0 424.525 6.202 40 30 HKEBRN COC(=O)c1ccc(-c2ccc(C=NN=c3[nH]c4ccccc4s3)o2)cc1Cl ZINC000408995941 558852748 /nfs/dbraw/zinc/85/27/48/558852748.db2.gz CCIRJJIMHNEROA-SSDVNMTOSA-N 0 0 411.870 5.442 40 30 HKEBRN COC(=O)c1ccc(Cl)c(-c2ccc(C=NN=c3[nH]c4ccccc4s3)o2)c1 ZINC000408995942 558852795 /nfs/dbraw/zinc/85/27/95/558852795.db2.gz FVXJVMUOFXFPBX-SSDVNMTOSA-N 0 0 411.870 5.442 40 30 HKEBRN Cc1cccc(Cn2cc(/C=N/N(c3ccccc3)c3ccccc3)c3ccccc32)c1 ZINC000408996135 558852885 /nfs/dbraw/zinc/85/28/85/558852885.db2.gz OGEUEDPZBSFZFT-TWKHWXDSSA-N 0 0 415.540 7.170 40 30 HKEBRN O=C1c2ccccc2C(=O)C1=Cc1cc(Br)c(Sc2ccccc2)o1 ZINC000408996242 558852911 /nfs/dbraw/zinc/85/29/11/558852911.db2.gz GZHMPFHJJPJLKR-UHFFFAOYSA-N 0 0 411.276 5.656 40 30 HKEBRN Cc1cc(C=NNc2ccc([N+](=O)[O-])cc2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000408996622 560662757 /nfs/dbraw/zinc/66/27/57/560662757.db2.gz JJHFGZAEZQZULW-MSXFZWOLSA-N 0 0 402.376 5.467 40 30 HKEBRN C=CCc1cc(/C=N/c2sc3c(c2C(=O)NCc2ccco2)CCCC3)ccc1O ZINC000408996758 558853018 /nfs/dbraw/zinc/85/30/18/558853018.db2.gz NARJNTGHQLQZFC-VULFUBBASA-N 0 0 420.534 5.335 40 30 HKEBRN Cc1ccc(S(=O)(=O)NCc2ccc(/C=N/c3ccc(Cl)c(Cl)c3)o2)cc1 ZINC000408997867 560662908 /nfs/dbraw/zinc/66/29/08/560662908.db2.gz OPEUATCDJQGDOW-SSDVNMTOSA-N 0 0 423.321 5.124 40 30 HKEBRN CC/N=C1\S/C(=C\c2cn(Cc3cccc(C)c3)c3ccccc23)C(=O)N1CC ZINC000408998467 558853819 /nfs/dbraw/zinc/85/38/19/558853819.db2.gz UNPMLWUBVOAMLG-BTRCZGFISA-N 0 0 403.551 5.310 40 30 HKEBRN O=C1c2ccccc2S/C1=C/c1cc(Br)c(Sc2ccccc2)o1 ZINC000408998598 560663498 /nfs/dbraw/zinc/66/34/98/560663498.db2.gz RKEJAINEJRZYEG-GZTJUZNOSA-N 0 0 415.333 6.523 40 30 HKEBRN O=[N+]([O-])c1ccc(NN=Cc2cc(Br)c(Sc3ccccc3)o2)cc1 ZINC000408999356 560663538 /nfs/dbraw/zinc/66/35/38/560663538.db2.gz CMCJEVKPCRYMMD-ODLFYWEKSA-N 0 0 418.272 5.548 40 30 HKEBRN C=CCOc1cccc(/C=C2\C(=O)N(c3ccc(Cl)cc3)C(C)=C2C(=O)OCC)c1 ZINC000409000012 560663668 /nfs/dbraw/zinc/66/36/68/560663668.db2.gz MCMQFWBMNKANLI-QNGOZBTKSA-N 0 0 423.896 5.172 40 30 HKEBRN Brc1cc(C=NN=c2ccc3ccccc3[nH]2)oc1Sc1ccccc1 ZINC000409000047 558854320 /nfs/dbraw/zinc/85/43/20/558854320.db2.gz WUCZPKUYUZGTET-LPYMAVHISA-N 0 0 424.323 6.188 40 30 HKEBRN Cc1cccc(Cn2cc(/C=C3\SC(=Nc4ccccc4)NC3=O)c3ccccc32)c1 ZINC000409000174 558854370 /nfs/dbraw/zinc/85/43/70/558854370.db2.gz MTFFBEKINVZYBZ-IWIPYMOSSA-N 0 0 423.541 5.890 40 30 HKEBRN Cc1nn(-c2ccc(C)c(C)c2)c(C)c1C=NNc1c(Cl)cc(Cl)cc1Cl ZINC000409002029 558856107 /nfs/dbraw/zinc/85/61/07/558856107.db2.gz SBKNGIDNMLCOLE-VROXFSQNSA-N 0 0 421.759 6.512 40 30 HKEBRN Cc1c2ccccc2c(CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccccc12 ZINC000409002824 560663390 /nfs/dbraw/zinc/66/33/90/560663390.db2.gz WPFYKFYZFAFKQX-QRVIBDJDSA-N 0 0 400.394 5.564 40 30 HKEBRN C=CCc1cc(-c2nc(=O)c3c4c(sc3[nH]2)CCCCCC4)cc(OCC)c1O ZINC000409003150 560664845 /nfs/dbraw/zinc/66/48/45/560664845.db2.gz RHYUXYRTFULRBR-UHFFFAOYSA-N 0 0 410.539 5.556 40 30 HKEBRN CCN1C(=O)/C(=C/c2ccc(OCc3ccccc3C#N)c(Cl)c2)SC1=S ZINC000409004309 558857205 /nfs/dbraw/zinc/85/72/05/558857205.db2.gz ABEHNJZNJVWLLK-ZDLGFXPLSA-N 0 0 414.939 5.012 40 30 HKEBRN CCCCOc1ccc2ccccc2c1CN=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409004449 558856849 /nfs/dbraw/zinc/85/68/49/558856849.db2.gz AAUGCRAGOXKZJZ-HMAPJEAMSA-N 0 0 408.414 5.281 40 30 HKEBRN Cc1cc(/C=C2\SC(=Nc3ccccc3)NC2=O)c(C)n1-c1cccc(C)c1C ZINC000409005167 560664400 /nfs/dbraw/zinc/66/44/00/560664400.db2.gz CWMKOKOESFINCS-HMAPJEAMSA-N 0 0 401.535 5.603 40 30 HKEBRN CCCOc1ccc2ccccc2c1/C=C1/SC(=Nc2ccc(OC)cc2)NC1=O ZINC000409005599 560664529 /nfs/dbraw/zinc/66/45/29/560664529.db2.gz FLLHBJMBALJMAZ-PXLXIMEGSA-N 0 0 418.518 5.529 40 30 HKEBRN C=CCn1c(C)c(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)c2ccccc21 ZINC000409005990 560664539 /nfs/dbraw/zinc/66/45/39/560664539.db2.gz HYLIRCABKSPNIG-JWGURIENSA-N 0 0 402.519 5.415 40 30 HKEBRN Cc1ccc(NC(=O)COc2ccc(C=NNc3nc4ccccc4s3)cc2)cc1 ZINC000409005999 560664486 /nfs/dbraw/zinc/66/44/86/560664486.db2.gz GWHHIRYZKDEFRU-ZVHZXABRSA-N 0 0 416.506 5.068 40 30 HKEBRN CCCCOc1ccc2ccccc2c1/C=C1/SC(=Nc2ccccc2)NC1=O ZINC000409006005 558857191 /nfs/dbraw/zinc/85/71/91/558857191.db2.gz GXZAYDUHRJQVOL-CJLVFECKSA-N 0 0 402.519 5.910 40 30 HKEBRN Cc1cccc(NC(=O)COc2ccc(C=NNc3nc4ccccc4s3)cc2)c1 ZINC000409006009 558857256 /nfs/dbraw/zinc/85/72/56/558857256.db2.gz GYNCPHIEGFDBTN-ZVHZXABRSA-N 0 0 416.506 5.068 40 30 HKEBRN CCCCOc1ccc2ccccc2c1CN=Nc1nc(C)cc(COC)c1C#N ZINC000409006460 560664645 /nfs/dbraw/zinc/66/46/45/560664645.db2.gz JJYGPUQNOZNBMF-YSMPRRRNSA-N 0 0 402.498 5.186 40 30 HKEBRN COc1ccc2ccc(OC)c(/C=C3/SC(=Nc4ccc(C)cc4C)NC3=O)c2c1 ZINC000409007670 558857537 /nfs/dbraw/zinc/85/75/37/558857537.db2.gz QEUVVDDRTCYXMF-LPYMAVHISA-N 0 0 418.518 5.365 40 30 HKEBRN Cc1ccccc1NC(=O)COc1ccc(C=NNc2nc3ccccc3s2)cc1 ZINC000409008579 560665826 /nfs/dbraw/zinc/66/58/26/560665826.db2.gz YFOITOWLKSNMQM-OYKKKHCWSA-N 0 0 416.506 5.068 40 30 HKEBRN CCCCCCCOc1ccc(/C=C2\N=C(c3ccc(OCC)cc3)OC2=O)cc1 ZINC000409008705 558857587 /nfs/dbraw/zinc/85/75/87/558857587.db2.gz ARWOMJYJRNOROP-NKFKGCMQSA-N 0 0 407.510 5.779 40 30 HKEBRN CCN1C(=O)/C(=C/c2cccn2-c2ccc(C)c(Cl)c2)SC1=Nc1ccccc1 ZINC000409008922 558857557 /nfs/dbraw/zinc/85/75/57/558857557.db2.gz AICAFBREHZCXKV-XOLKAKTPSA-N 0 0 421.953 6.063 40 30 HKEBRN CCCCCCCOc1ccccc1/C=C1\N=C(c2ccc(OCC)cc2)OC1=O ZINC000409008973 558857550 /nfs/dbraw/zinc/85/75/50/558857550.db2.gz PLUJUKRYXZTJRO-PYCFMQQDSA-N 0 0 407.510 5.779 40 30 HKEBRN Cc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2ccc(-c3cccc(F)c3)o2)S1 ZINC000409009172 560665146 /nfs/dbraw/zinc/66/51/46/560665146.db2.gz BVBHJLIBGRIWKM-ODLFYWEKSA-N 0 0 412.873 5.939 40 30 HKEBRN CC[C@@H](C)Oc1ccc(/C=C2\SC(=Nc3cccc(F)c3)N(C)C2=O)cc1Cl ZINC000409009197 560665176 /nfs/dbraw/zinc/66/51/76/560665176.db2.gz ZFYNITSQRRJBAB-ABZPLFOESA-N 0 0 418.921 5.890 40 30 HKEBRN CC[C@H](C)Oc1ccc(/C=C2\SC(=Nc3cccc(F)c3)N(C)C2=O)cc1Cl ZINC000409009198 558857569 /nfs/dbraw/zinc/85/75/69/558857569.db2.gz ZFYNITSQRRJBAB-CRWXGMKLSA-N 0 0 418.921 5.890 40 30 HKEBRN CC(C)(C)c1csc(N=NCc2ccc(OC(=O)c3c(F)cccc3F)cc2)n1 ZINC000409009203 558857572 /nfs/dbraw/zinc/85/75/72/558857572.db2.gz BZDRKZSYDYYPFT-BHGWPJFGSA-N 0 0 415.465 5.384 40 30 HKEBRN CC[C@H](C)Oc1ccc(/C=C2\SC(=Nc3ccc(C)c(C)c3)NC2=O)cc1Cl ZINC000409009354 558857798 /nfs/dbraw/zinc/85/77/98/558857798.db2.gz DOWSQUBLQZWIIW-DKNZLLBESA-N 0 0 414.958 6.026 40 30 HKEBRN CC[C@@H](C)Oc1ccc(/C=C2\SC(=Nc3ccc(C)c(C)c3)NC2=O)cc1Cl ZINC000409009355 560665158 /nfs/dbraw/zinc/66/51/58/560665158.db2.gz DOWSQUBLQZWIIW-GEYIUBJWSA-N 0 0 414.958 6.026 40 30 HKEBRN CN(C)c1ccc(N=C2S/C(=C\c3ccc(-c4cccc(F)c4)o3)C(=O)N2C)cc1 ZINC000409009663 558857792 /nfs/dbraw/zinc/85/77/92/558857792.db2.gz BDGATOLGOAHXIQ-RFWMZAAKSA-N 0 0 421.497 5.386 40 30 HKEBRN CC[C@@H](C)Oc1ccc(/C=C2\SC(=Nc3ccc(Cl)cc3)NC2=O)cc1Cl ZINC000409009942 560665276 /nfs/dbraw/zinc/66/52/76/560665276.db2.gz IVAAFWUCILJNRA-OTWJJXBCSA-N 0 0 421.349 6.062 40 30 HKEBRN CC[C@H](C)Oc1ccc(/C=C2\SC(=Nc3ccc(Cl)cc3)NC2=O)cc1Cl ZINC000409009943 560665246 /nfs/dbraw/zinc/66/52/46/560665246.db2.gz IVAAFWUCILJNRA-SJWFJVLYSA-N 0 0 421.349 6.062 40 30 HKEBRN Cc1cc(C)cc(N=C2S/C(=C\c3ccc(-c4cccc(F)c4)o3)C(=O)N2C)c1 ZINC000409009977 560665247 /nfs/dbraw/zinc/66/52/47/560665247.db2.gz ATEUYEFKUMPBDT-NZBFAAGASA-N 0 0 406.482 5.936 40 30 HKEBRN Cc1cc(/N=C/c2cccn2-c2cccc(Br)c2)ccc1Br ZINC000409010016 558857716 /nfs/dbraw/zinc/85/77/16/558857716.db2.gz JCFGVWHUEIXNRW-CIAFOILYSA-N 0 0 418.132 6.061 40 30 HKEBRN CCN1C(=O)/C(=C/c2ccccc2)S/C1=N\c1ccc(Br)c(Cl)c1 ZINC000409010123 558857791 /nfs/dbraw/zinc/85/77/91/558857791.db2.gz JPQHZROTHLTQIM-HPMVXJKBSA-N 0 0 421.747 5.726 40 30 HKEBRN COc1cccc(/C=C2\SC(=Nc3cccc(Cl)c3)NC2=O)c1OC(C)C ZINC000409010364 560665249 /nfs/dbraw/zinc/66/52/49/560665249.db2.gz KCIGNUNTTXUGII-YVLHZVERSA-N 0 0 402.903 5.027 40 30 HKEBRN CN1C(=O)/C(=C/c2ccc(-c3cccc(F)c3)o2)SC1=Nc1ccc(Cl)cc1 ZINC000409010371 560665242 /nfs/dbraw/zinc/66/52/42/560665242.db2.gz KEBIQQXQEGKQHQ-MPZUNYIRSA-N 0 0 412.873 5.973 40 30 HKEBRN CC[C@@H](C)Oc1ccc(/C=C2\SC(=Nc3ccccc3)N(C)C2=O)cc1Cl ZINC000409010379 560665424 /nfs/dbraw/zinc/66/54/24/560665424.db2.gz KFUZXTXYXUDXAX-UMPMLLCLSA-N 0 0 400.931 5.751 40 30 HKEBRN CC[C@H](C)Oc1ccc(/C=C2\SC(=Nc3ccccc3)N(C)C2=O)cc1Cl ZINC000409010382 560665422 /nfs/dbraw/zinc/66/54/22/560665422.db2.gz KFUZXTXYXUDXAX-YJVDXNARSA-N 0 0 400.931 5.751 40 30 HKEBRN Brc1cccc(/N=C/c2cccn2-c2cccc(Br)c2)c1 ZINC000409010402 560665429 /nfs/dbraw/zinc/66/54/29/560665429.db2.gz DSTFUZBRAJGAHS-UDWIEESQSA-N 0 0 404.105 5.753 40 30 HKEBRN Cc1ccc(N=C2S/C(=C\c3ccc(-c4cccc(F)c4)o3)C(=O)N2C)cc1C ZINC000409010738 560665390 /nfs/dbraw/zinc/66/53/90/560665390.db2.gz DJGNVRGEDINBQJ-NZBFAAGASA-N 0 0 406.482 5.936 40 30 HKEBRN CN1C(=O)/C(=C/c2cccs2)S/C1=N\c1ccc(Br)c(Cl)c1 ZINC000409010746 560665426 /nfs/dbraw/zinc/66/54/26/560665426.db2.gz KWMABHOWVMTMSW-GOBGVIRVSA-N 0 0 413.749 5.398 40 30 HKEBRN COc1ccc(N=C2NC(=O)/C(=C/c3cccn3-c3ccc(C)c(Cl)c3)S2)cc1 ZINC000409010767 560665375 /nfs/dbraw/zinc/66/53/75/560665375.db2.gz LCFIBAGBJZFWTG-MOSHPQCFSA-N 0 0 423.925 5.339 40 30 HKEBRN Cc1ccc(-n2cccc2/C=N\c2ccc(I)cc2)cc1Cl ZINC000409011041 558857913 /nfs/dbraw/zinc/85/79/13/558857913.db2.gz FPAFFFVTRIFWNY-MTJSOVHGSA-N 0 0 420.681 5.794 40 30 HKEBRN COc1cccc(/C=C2\SC(=Nc3cc(Cl)ccc3C)NC2=O)c1OC(C)C ZINC000409011245 560665479 /nfs/dbraw/zinc/66/54/79/560665479.db2.gz NDWOHBCWVMPZEN-ZDLGFXPLSA-N 0 0 416.930 5.336 40 30 HKEBRN CN1C(=O)/C(=C/c2ccccc2)S/C1=N\c1ccc(Br)c(Cl)c1 ZINC000409011262 560665471 /nfs/dbraw/zinc/66/54/71/560665471.db2.gz FWGOFSSQEVRABB-JIQLHFTESA-N 0 0 407.720 5.336 40 30 HKEBRN Cc1ccc(NC(=O)COc2cccc(C=NNc3ccc4ccccc4n3)c2)cc1C ZINC000409011345 560665464 /nfs/dbraw/zinc/66/54/64/560665464.db2.gz HGWDVMXCXGVCKG-JVWAILMASA-N 0 0 424.504 5.315 40 30 HKEBRN Cc1cc(C)cc(NC(=O)c2c(/N=C/c3ccccc3)sc3c2CCCCCC3)c1 ZINC000409011475 558858150 /nfs/dbraw/zinc/85/81/50/558858150.db2.gz FQOPNYLQKFQYOQ-WPWMEQJKSA-N 0 0 416.590 7.027 40 30 HKEBRN Cc1ccc(-n2cccc2/C=N\c2cccc(I)c2)cc1Cl ZINC000409011495 558858104 /nfs/dbraw/zinc/85/81/04/558858104.db2.gz NNZOWFDIJHQNBO-MTJSOVHGSA-N 0 0 420.681 5.794 40 30 HKEBRN Cc1ccc(NC(=O)c2c(/N=C/c3ccccc3)sc3c2CCCCCC3)cc1C ZINC000409011556 560665468 /nfs/dbraw/zinc/66/54/68/560665468.db2.gz GGTFTYYQNDEBPE-WPWMEQJKSA-N 0 0 416.590 7.027 40 30 HKEBRN Cc1ccc(-n2cccc2/C=N\c2ccccc2I)cc1Cl ZINC000409011728 558858101 /nfs/dbraw/zinc/85/81/01/558858101.db2.gz HIYUAUHEESRJFG-MTJSOVHGSA-N 0 0 420.681 5.794 40 30 HKEBRN CC[C@H](C)Oc1ccc(/C=N\c2cccc(I)c2)cc1Cl ZINC000409011773 558858084 /nfs/dbraw/zinc/85/80/84/558858084.db2.gz HPAMDRFRUXOFDW-OEKFUPINSA-N 0 0 413.686 5.873 40 30 HKEBRN CC[C@@H](C)Oc1ccc(/C=N\c2cccc(I)c2)cc1Cl ZINC000409011777 560665618 /nfs/dbraw/zinc/66/56/18/560665618.db2.gz HPAMDRFRUXOFDW-WXYNYTDUSA-N 0 0 413.686 5.873 40 30 HKEBRN Brc1cccc(-n2cccc2/C=N\c2ccccc2Br)c1 ZINC000409011901 558857968 /nfs/dbraw/zinc/85/79/68/558857968.db2.gz OZXXFIGSSLMWST-NDENLUEZSA-N 0 0 404.105 5.753 40 30 HKEBRN Brc1cccc(-n2cccc2/C=N/c2ccc(Nc3ccccc3)cc2)c1 ZINC000409012150 560665611 /nfs/dbraw/zinc/66/56/11/560665611.db2.gz IZWQOZXLIIKUOA-KOEQRZSOSA-N 0 0 416.322 6.734 40 30 HKEBRN CC[C@@H](C)Oc1ccc(/C=C2\SC(=Nc3cccc(Cl)c3)NC2=O)cc1Cl ZINC000409012177 558858145 /nfs/dbraw/zinc/85/81/45/558858145.db2.gz JIVCYWVNKZCHCS-HIPMGEKLSA-N 0 0 421.349 6.062 40 30 HKEBRN CC[C@H](C)Oc1ccc(/C=C2\SC(=Nc3cccc(Cl)c3)NC2=O)cc1Cl ZINC000409012180 560665641 /nfs/dbraw/zinc/66/56/41/560665641.db2.gz JIVCYWVNKZCHCS-XACIZNRCSA-N 0 0 421.349 6.062 40 30 HKEBRN FC(F)(F)c1ccc(N=NCc2cccn2-c2cccc(Br)c2)nc1 ZINC000409012293 560665627 /nfs/dbraw/zinc/66/56/27/560665627.db2.gz QDTOVADQQGLJIW-KSEXSDGBSA-N 0 0 409.209 5.100 40 30 HKEBRN Cc1ccc(C)c(NC(=O)c2c(/N=C/c3ccccc3)sc3c2CCCCCC3)c1 ZINC000409012475 560665701 /nfs/dbraw/zinc/66/57/01/560665701.db2.gz IFLLVJMABQXVGX-WPWMEQJKSA-N 0 0 416.590 7.027 40 30 HKEBRN CN1C(=O)/C(=C/c2ccc(O)cc2)S/C1=N\c1ccc(Br)c(Cl)c1 ZINC000409012810 560665696 /nfs/dbraw/zinc/66/56/96/560665696.db2.gz LARYCINCYYMUKA-JEOKBYEJSA-N 0 0 423.719 5.042 40 30 HKEBRN Cc1ccc(-n2cccc2/C=C2\SC(=Nc3cccc(C)c3C)NC2=O)cc1Cl ZINC000409014029 560666287 /nfs/dbraw/zinc/66/62/87/560666287.db2.gz OOGOFKPIFPVSLC-BKUYFWCQSA-N 0 0 421.953 5.948 40 30 HKEBRN CCCN1C(=O)/C(=C/c2cccc(OC)c2OC(C)C)SC1=Nc1ccccc1 ZINC000409014149 558858442 /nfs/dbraw/zinc/85/84/42/558858442.db2.gz PCMGBTHRWVMRSV-UBWZAKNHSA-N 0 0 410.539 5.496 40 30 HKEBRN Cc1cccc(NC(=O)c2c(/N=C/c3ccccc3)sc3c2CCCCCC3)c1C ZINC000409014540 558858990 /nfs/dbraw/zinc/85/89/90/558858990.db2.gz MULVHBQFRUNTEH-WPWMEQJKSA-N 0 0 416.590 7.027 40 30 HKEBRN COCCN1C(=O)/C(=C/c2ccc(-c3cccc(F)c3)o2)SC1=Nc1ccccc1 ZINC000409015051 560666304 /nfs/dbraw/zinc/66/63/04/560666304.db2.gz RNJWVXRTASRUED-XOLKAKTPSA-N 0 0 422.481 5.336 40 30 HKEBRN O=C(Oc1ccc(C=NNc2nc3ccccc3s2)cc1)c1c(F)cccc1F ZINC000409015434 560666341 /nfs/dbraw/zinc/66/63/41/560666341.db2.gz RCIFYMXAEDTPLK-WYMPLXKRSA-N 0 0 409.417 5.240 40 30 HKEBRN COC(=O)c1ccc(C)c(/N=C/c2ccc(Sc3ccc(Cl)cc3)s2)c1 ZINC000409015530 560666460 /nfs/dbraw/zinc/66/64/60/560666460.db2.gz NULPWPSSOMXJDZ-WSDLNYQXSA-N 0 0 401.940 6.398 40 30 HKEBRN Cc1ccc(N=C2NC(=O)/C(=C/c3cccn3-c3ccc(C)c(Cl)c3)S2)c(C)c1 ZINC000409015794 560666455 /nfs/dbraw/zinc/66/64/55/560666455.db2.gz BHWXWJYQYUSZAV-BKUYFWCQSA-N 0 0 421.953 5.948 40 30 HKEBRN N#Cc1ccccc1CSc1nnc(CCCOc2ccc(Cl)cc2Cl)o1 ZINC000409015865 558860516 /nfs/dbraw/zinc/86/05/16/558860516.db2.gz PDZIGWFPNVOUNL-UHFFFAOYSA-N 0 0 420.321 5.552 40 30 HKEBRN S=C(N/N=C\c1ccc(Sc2ccc(Cl)cc2)s1)Nc1ccccc1 ZINC000409016000 560666466 /nfs/dbraw/zinc/66/64/66/560666466.db2.gz ADGQWPXWDHYLEV-NDENLUEZSA-N 0 0 403.985 5.873 40 30 HKEBRN Brc1cccc(-n2cccc2/C=N/c2ccc(-c3ccccc3)cc2)c1 ZINC000409016096 560666506 /nfs/dbraw/zinc/66/65/06/560666506.db2.gz SGYXIRXLRSWHGS-KOEQRZSOSA-N 0 0 401.307 6.657 40 30 HKEBRN Cc1cccc(C)c1N=C1S/C(=C\c2cccn2-c2ccc(O)cc2)C(=O)N1C ZINC000409016279 560666532 /nfs/dbraw/zinc/66/65/32/560666532.db2.gz QRUVOCSSQOBGCG-KWKLDLJFSA-N 0 0 403.507 5.034 40 30 HKEBRN CC[C@@H](C)Oc1ccc(/C=C2\SC(=Nc3cccc(C)c3)NC2=O)cc1Cl ZINC000409016411 558860613 /nfs/dbraw/zinc/86/06/13/558860613.db2.gz CKOFUQNWONFURS-VCRXTVNUSA-N 0 0 400.931 5.717 40 30 HKEBRN CC[C@H](C)Oc1ccc(/C=C2\SC(=Nc3cccc(C)c3)NC2=O)cc1Cl ZINC000409016415 560666552 /nfs/dbraw/zinc/66/65/52/560666552.db2.gz CKOFUQNWONFURS-YQNUULROSA-N 0 0 400.931 5.717 40 30 HKEBRN COc1cccc(/C=C2\SC(=Nc3cc(C)cc(C)c3)N(C)C2=O)c1OC(C)C ZINC000409016672 560666504 /nfs/dbraw/zinc/66/65/04/560666504.db2.gz VIYHBZKYFTZGRO-KHSCPFDSSA-N 0 0 410.539 5.333 40 30 HKEBRN N#Cc1ccc(-c2ccc(/C=C3\SC(=O)N(Cc4ccccc4Cl)C3=O)o2)cc1 ZINC000409017127 558860629 /nfs/dbraw/zinc/86/06/29/558860629.db2.gz KDZJDSWIPWTBBC-JAIQZWGSSA-N 0 0 420.877 5.708 40 30 HKEBRN N#Cc1ccc(-c2ccc(/C=C3\SC(=O)N(Cc4ccc(Cl)cc4)C3=O)o2)cc1 ZINC000409017143 558860639 /nfs/dbraw/zinc/86/06/39/558860639.db2.gz KOPCCNIGWMGZJK-JAIQZWGSSA-N 0 0 420.877 5.708 40 30 HKEBRN CC[C@@H](C)Oc1ccc(/C=C2\SC(=Nc3ccccc3C)NC2=O)cc1Cl ZINC000409017152 560666623 /nfs/dbraw/zinc/66/66/23/560666623.db2.gz XDJHWZPJRGIBNN-VCRXTVNUSA-N 0 0 400.931 5.717 40 30 HKEBRN CC[C@H](C)Oc1ccc(/C=C2\SC(=Nc3ccccc3C)NC2=O)cc1Cl ZINC000409017159 560666615 /nfs/dbraw/zinc/66/66/15/560666615.db2.gz XDJHWZPJRGIBNN-YQNUULROSA-N 0 0 400.931 5.717 40 30 HKEBRN Cc1cc(/N=C/c2ccc(Sc3ccc(Cl)cc3)s2)ccc1Br ZINC000409017424 560665949 /nfs/dbraw/zinc/66/59/49/560665949.db2.gz ZTLCETYNXXHPEL-SRZZPIQSSA-N 0 0 422.800 7.374 40 30 HKEBRN C=CCOc1ccc(/C=C2\C(=O)N(c3ccc(C)c(Cl)c3)C(C)=C2C(=O)OC)cc1 ZINC000409017580 558861305 /nfs/dbraw/zinc/86/13/05/558861305.db2.gz FPFCAXKNBADULM-MOSHPQCFSA-N 0 0 423.896 5.090 40 30 HKEBRN Cc1ccc(/N=C\c2ccc(Sc3ccc(Cl)cc3)s2)c(Br)c1 ZINC000409017632 560665925 /nfs/dbraw/zinc/66/59/25/560665925.db2.gz NHUWPISFMGPYSG-NHDPSOOVSA-N 0 0 422.800 7.374 40 30 HKEBRN COc1cccc(/C=C2\SC(=Nc3c(C)cccc3C)N(C)C2=O)c1OC(C)C ZINC000409017869 560665928 /nfs/dbraw/zinc/66/59/28/560665928.db2.gz VZWNBZIMRPKZKG-NNEFMJQDSA-N 0 0 410.539 5.333 40 30 HKEBRN COc1cccc(/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1OC(C)C ZINC000409018134 558861294 /nfs/dbraw/zinc/86/12/94/558861294.db2.gz XPQPAHOXNRHQPR-OGLMXYFKSA-N 0 0 403.566 6.701 40 30 HKEBRN COc1cccc(/C=C2\SC(=Nc3cccc(Cl)c3C)NC2=O)c1OC(C)C ZINC000409018494 558861540 /nfs/dbraw/zinc/86/15/40/558861540.db2.gz XAWDOKUYLAEOQN-WQRHYEAKSA-N 0 0 416.930 5.336 40 30 HKEBRN Cc1ccc(/C=C2\S/C(=N\c3ccc(Br)c(Cl)c3)N(C)C2=O)cc1 ZINC000409018796 558861483 /nfs/dbraw/zinc/86/14/83/558861483.db2.gz ZHCLDNVRNKHYKG-NSUZWAMQSA-N 0 0 421.747 5.645 40 30 HKEBRN CC[C@@H](C)Oc1ccc(/C=N/c2ccc(-c3cc4ccccc4o3)cc2)cc1Cl ZINC000409018983 560665913 /nfs/dbraw/zinc/66/59/13/560665913.db2.gz ZTOMPMRPOPKNCP-AKBIMGJMSA-N 0 0 403.909 7.681 40 30 HKEBRN CC[C@H](C)Oc1ccc(/C=N/c2ccc(-c3cc4ccccc4o3)cc2)cc1Cl ZINC000409018984 560665900 /nfs/dbraw/zinc/66/59/00/560665900.db2.gz ZTOMPMRPOPKNCP-DCMOEJRUSA-N 0 0 403.909 7.681 40 30 HKEBRN COc1cccc(/C=C2\SC(=Nc3ccc(Cl)cc3)NC2=O)c1OC(C)C ZINC000409018994 560666058 /nfs/dbraw/zinc/66/60/58/560666058.db2.gz ZWGUWHCNJPEFGR-BOPFTXTBSA-N 0 0 402.903 5.027 40 30 HKEBRN C[C@@H](Oc1ccc(Cl)cc1Cl)c1nnc(SCc2ccccc2C#N)o1 ZINC000409019129 558861535 /nfs/dbraw/zinc/86/15/35/558861535.db2.gz VWIPGXUHZQLTTP-LLVKDONJSA-N 0 0 406.294 5.680 40 30 HKEBRN C[C@H](Oc1ccc(Cl)cc1Cl)c1nnc(SCc2ccccc2C#N)o1 ZINC000409019138 558861537 /nfs/dbraw/zinc/86/15/37/558861537.db2.gz VWIPGXUHZQLTTP-NSHDSACASA-N 0 0 406.294 5.680 40 30 HKEBRN Cc1c(Cl)cccc1N=C1NC(=O)/C(=C/c2ccc(-c3cccc(F)c3)o2)S1 ZINC000409019511 558861599 /nfs/dbraw/zinc/86/15/99/558861599.db2.gz ZMTIJRZJCFWEEX-ODLFYWEKSA-N 0 0 412.873 5.939 40 30 HKEBRN C=C[C@@H](C)N1C(=O)S/C(=C\c2ccc(Sc3ccc(Cl)cc3)s2)C1=O ZINC000409019527 558861634 /nfs/dbraw/zinc/86/16/34/558861634.db2.gz TXOTWCFKSDSHSS-MKVLZVNKSA-N 0 0 407.969 6.164 40 30 HKEBRN C=C[C@H](C)N1C(=O)S/C(=C\c2ccc(Sc3ccc(Cl)cc3)s2)C1=O ZINC000409019531 560667407 /nfs/dbraw/zinc/66/74/07/560667407.db2.gz TXOTWCFKSDSHSS-SAIXKJTDSA-N 0 0 407.969 6.164 40 30 HKEBRN CCCOc1ccc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)cc1 ZINC000409019850 560667427 /nfs/dbraw/zinc/66/74/27/560667427.db2.gz YMLRXZOIELFQKE-ONUIUJJFSA-N 0 0 418.562 6.419 40 30 HKEBRN Cc1ccc(N=C2NC(=O)/C(=C/c3cccn3-c3ccc(C)c(Cl)c3)S2)cc1 ZINC000409020050 560667402 /nfs/dbraw/zinc/66/74/02/560667402.db2.gz LQQNIWNQYSHCSW-MOSHPQCFSA-N 0 0 407.926 5.639 40 30 HKEBRN COc1ccc(N=C2S/C(=C\c3ccc(-c4cccc(F)c4)o3)C(=O)N2C)cc1 ZINC000409020143 560667445 /nfs/dbraw/zinc/66/74/45/560667445.db2.gz MGAGNSJIWBWTMX-JGBPVPSRSA-N 0 0 408.454 5.328 40 30 HKEBRN Cc1ccccc1NC(=O)COc1ccc(C=NNc2ccc3ccccc3n2)cc1 ZINC000409020220 560667403 /nfs/dbraw/zinc/66/74/03/560667403.db2.gz MTRVVRWOHNYAKS-WGOQTCKBSA-N 0 0 410.477 5.007 40 30 HKEBRN CC[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3sc(C)c(C)c3C#N)c2C)C1=O ZINC000409020308 558862116 /nfs/dbraw/zinc/86/21/16/558862116.db2.gz NUAWEEVOWXTDNO-KECVIQKOSA-N 0 0 413.568 5.479 40 30 HKEBRN CC[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3sc(C)c(C)c3C#N)c2C)C1=O ZINC000409020309 558862113 /nfs/dbraw/zinc/86/21/13/558862113.db2.gz NUAWEEVOWXTDNO-PBFYJAPKSA-N 0 0 413.568 5.479 40 30 HKEBRN Cc1ccc(-n2cccc2/C=C2\SC(=Nc3ccccc3)N(C)C2=O)cc1Cl ZINC000409020338 560667486 /nfs/dbraw/zinc/66/74/86/560667486.db2.gz ODGLWTJSLKILKD-OMSSWJLUSA-N 0 0 407.926 5.673 40 30 HKEBRN Cc1ccc(-n2cccc2/C=C2\SC(=Nc3ccc(F)cc3)NC2=O)cc1Cl ZINC000409020449 560667507 /nfs/dbraw/zinc/66/75/07/560667507.db2.gz PLVOAHBLRBPZCI-UNOMPAQXSA-N 0 0 411.889 5.470 40 30 HKEBRN O=[N+]([O-])c1ccc(Sc2ccc(/N=C/c3ccc(-c4cccc(F)c4)o3)cc2)cc1 ZINC000409021009 560666741 /nfs/dbraw/zinc/66/67/41/560666741.db2.gz WUJJJYBSGHLLPB-MFKUBSTISA-N 0 0 418.449 6.896 40 30 HKEBRN Cc1ccc(N=C2NC(=O)/C(=C/c3cccn3-c3ccc(C)c(Cl)c3)S2)cc1C ZINC000409021054 560666696 /nfs/dbraw/zinc/66/66/96/560666696.db2.gz XIDAPEBJKCDZMJ-BKUYFWCQSA-N 0 0 421.953 5.948 40 30 HKEBRN Cc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2ccc(-c3ccc(C#N)cc3)o2)S1 ZINC000409021364 560666857 /nfs/dbraw/zinc/66/68/57/560666857.db2.gz DHYHXFLGQKINSW-JAIQZWGSSA-N 0 0 419.893 5.672 40 30 HKEBRN Cc1cccc(C)c1N=C1S/C(=C\c2ccc(-c3ccc(C#N)cc3)o2)C(=O)N1C ZINC000409021423 558862215 /nfs/dbraw/zinc/86/22/15/558862215.db2.gz GOBDVVZNTZVMQI-AFKZWVQSSA-N 0 0 413.502 5.669 40 30 HKEBRN FC(F)(F)c1ccc(NN=Cc2ccc(Sc3ccc(Cl)cc3)s2)nc1 ZINC000409021444 560666871 /nfs/dbraw/zinc/66/68/71/560666871.db2.gz HXQMUIRBKBGXCO-RMORIDSASA-N 0 0 413.877 6.413 40 30 HKEBRN C=CCOc1cccc(/C=C2\C(=O)N(c3ccc(C)c(Cl)c3)C(C)=C2C(=O)OC)c1 ZINC000409021611 560666839 /nfs/dbraw/zinc/66/68/39/560666839.db2.gz PUPAGTZQQMXUHS-MOSHPQCFSA-N 0 0 423.896 5.090 40 30 HKEBRN CCN1C(=O)/C(=C/c2cccn2-c2ccc(O)cc2)SC1=Nc1ccc(Cl)cc1 ZINC000409021643 560666861 /nfs/dbraw/zinc/66/68/61/560666861.db2.gz RKOSEBGHYNWDSD-OMSSWJLUSA-N 0 0 423.925 5.460 40 30 HKEBRN N#Cc1ccc(-c2ccc(/C=C3\SC(=Nc4ccc(Cl)cc4)NC3=O)o2)cc1 ZINC000409021735 560666842 /nfs/dbraw/zinc/66/68/42/560666842.db2.gz VRUVIOJHRGFOLW-ODLFYWEKSA-N 0 0 405.866 5.363 40 30 HKEBRN Clc1ccc(Sc2ccc(/C=N/c3ccc(N4CCOCC4)cc3)s2)cc1 ZINC000409021827 558862445 /nfs/dbraw/zinc/86/24/45/558862445.db2.gz ANMPIHPLTFSSCP-HZHRSRAPSA-N 0 0 414.983 6.140 40 30 HKEBRN COc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)cc1Cl ZINC000409021854 558862478 /nfs/dbraw/zinc/86/24/78/558862478.db2.gz CDHDKKXNQAWUST-AFUMVMLFSA-N 0 0 424.953 6.292 40 30 HKEBRN Cc1cc(/N=C\c2ccc(-c3ccc(C#N)cc3)o2)ccc1I ZINC000409021971 558862761 /nfs/dbraw/zinc/86/27/61/558862761.db2.gz GPIHNCXWOJPSIW-UUYOSTAYSA-N 0 0 412.230 5.482 40 30 HKEBRN Clc1ccc(Sc2ccc(/C=N/c3ccc(-c4ccccc4)cc3)s2)cc1 ZINC000409021989 560666921 /nfs/dbraw/zinc/66/69/21/560666921.db2.gz BQCRIMMIIPGSRC-PCLIKHOPSA-N 0 0 405.975 7.970 40 30 HKEBRN Cc1cc(C)cc(N=C2S/C(=C\c3ccc(-c4ccc(C#N)cc4)o3)C(=O)N2C)c1 ZINC000409021992 558862815 /nfs/dbraw/zinc/86/28/15/558862815.db2.gz HGLHMLPXNADMHP-SSFUYCDXSA-N 0 0 413.502 5.669 40 30 HKEBRN COC(=O)c1cccc(/N=C/c2ccc(Sc3ccc(Cl)cc3)s2)c1C ZINC000409022229 560666884 /nfs/dbraw/zinc/66/68/84/560666884.db2.gz KDOYSHLHPKPFOQ-WSDLNYQXSA-N 0 0 401.940 6.398 40 30 HKEBRN CN1C(=O)/C(=C/c2ccc(-c3ccc(C#N)cc3)o2)SC1=Nc1cccc(F)c1 ZINC000409022343 560667057 /nfs/dbraw/zinc/66/70/57/560667057.db2.gz KWIUCOIIWQMAPM-RKQNKVCSSA-N 0 0 403.438 5.191 40 30 HKEBRN N#Cc1ccc(-c2ccc(/C=N/c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)o2)cc1 ZINC000409022449 558862800 /nfs/dbraw/zinc/86/28/00/558862800.db2.gz OKKVHCHWWSIBHD-UXHLAJHPSA-N 0 0 406.529 7.037 40 30 HKEBRN Cc1cc(C)c(N=C2S/C(=C\c3cccn3-c3ccc(O)cc3)C(=O)N2C)c(C)c1 ZINC000409022569 560667036 /nfs/dbraw/zinc/66/70/36/560667036.db2.gz BFARLPPPNUELRW-NGZUUMTHSA-N 0 0 417.534 5.342 40 30 HKEBRN COC(=O)c1ccc(/N=C/c2ccc(Sc3ccc(Cl)cc3)s2)c(C)c1 ZINC000409022598 560667033 /nfs/dbraw/zinc/66/70/33/560667033.db2.gz CEGQDYBGXAWKHA-WSDLNYQXSA-N 0 0 401.940 6.398 40 30 HKEBRN CCOc1ccc(N=C2NC(=O)/C(=C/c3ccc(-c4ccc(C#N)cc4)o3)S2)cc1 ZINC000409023258 558863073 /nfs/dbraw/zinc/86/30/73/558863073.db2.gz WCYBFTYKFYFGDI-BKUYFWCQSA-N 0 0 415.474 5.109 40 30 HKEBRN Clc1ccc(Sc2ccc(/C=N/c3ccc(Nc4ccccc4)cc3)s2)cc1 ZINC000409023345 560667222 /nfs/dbraw/zinc/66/72/22/560667222.db2.gz KRZLHXAXWIYZLU-PCLIKHOPSA-N 0 0 420.990 8.047 40 30 HKEBRN N#Cc1ccc(-c2ccc(/C=C3\SC(=Nc4cccc(Cl)c4)NC3=O)o2)cc1 ZINC000409023361 558862967 /nfs/dbraw/zinc/86/29/67/558862967.db2.gz LDSYIPSNKCJYCX-ODLFYWEKSA-N 0 0 405.866 5.363 40 30 HKEBRN CN1C(=O)/C(=C/c2cccn2-c2ccc(O)cc2)SC1=Nc1ccc(Cl)cc1 ZINC000409023504 558863233 /nfs/dbraw/zinc/86/32/33/558863233.db2.gz FXWHEZCDJZFRMH-CUVVSLBBSA-N 0 0 409.898 5.070 40 30 HKEBRN C=CCN1C(=O)/C(=C/c2ccc(Sc3ccc(Cl)cc3)s2)SC1=S ZINC000409023578 560667259 /nfs/dbraw/zinc/66/72/59/560667259.db2.gz HKFSWHINWPCHIQ-UVTDQMKNSA-N 0 0 410.010 5.940 40 30 HKEBRN Cc1cc(I)ccc1/N=C\c1ccc(-c2ccc(C#N)cc2)o1 ZINC000409023774 560667211 /nfs/dbraw/zinc/66/72/11/560667211.db2.gz PFEDMKZDSRUMRS-UUYOSTAYSA-N 0 0 412.230 5.482 40 30 HKEBRN CN1C(=O)/C(=C/c2ccc(-c3ccc(C#N)cc3)o2)SC1=Nc1ccc(Cl)cc1 ZINC000409023781 558863620 /nfs/dbraw/zinc/86/36/20/558863620.db2.gz PNDXAKVPLYKYDW-RKQNKVCSSA-N 0 0 419.893 5.705 40 30 HKEBRN CCCN1C(=O)/C(=C/c2cccn2-c2ccc(O)cc2)SC1=Nc1ccccc1 ZINC000409024702 560667824 /nfs/dbraw/zinc/66/78/24/560667824.db2.gz UVURSZKSUFNPLJ-NXZXOXKRSA-N 0 0 403.507 5.197 40 30 HKEBRN COc1cc(/C=N/c2cc(C)nn2-c2ccccc2)ccc1OC(=O)c1ccccc1 ZINC000409024777 558863829 /nfs/dbraw/zinc/86/38/29/558863829.db2.gz HFPBEIWETJSJFO-YZSQISJMSA-N 0 0 411.461 5.159 40 30 HKEBRN COc1cc(CN=Nc2nc(C)c(C)s2)ccc1OC(=O)c1ccc(Cl)cc1 ZINC000409025146 560667839 /nfs/dbraw/zinc/66/78/39/560667839.db2.gz MNZLHBUZVOSRQQ-SSDVNMTOSA-N 0 0 415.902 5.087 40 30 HKEBRN CCOc1cc(CN=Nc2nc(C)c(C)s2)ccc1OC(=O)c1cccc(C)c1 ZINC000409025339 558864275 /nfs/dbraw/zinc/86/42/75/558864275.db2.gz UEMLLYHELSQMHP-YDZHTSKRSA-N 0 0 409.511 5.132 40 30 HKEBRN CC[C@@H](C)Oc1c(Cl)cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)cc1OC ZINC000409029764 558865489 /nfs/dbraw/zinc/86/54/89/558865489.db2.gz AZMBTWZZIORCPX-UNPAVUDISA-N 0 0 424.744 5.240 40 30 HKEBRN CC[C@H](C)Oc1c(Cl)cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)cc1OC ZINC000409029958 558865635 /nfs/dbraw/zinc/86/56/35/558865635.db2.gz AZMBTWZZIORCPX-XWDBMOKESA-N 0 0 424.744 5.240 40 30 HKEBRN CCN1C2=C(C(=O)CC(C)(C)C2)C(c2cccc([N+](=O)[O-])c2)C2=C1CC(C)(C)CC2=O ZINC000409030283 558865617 /nfs/dbraw/zinc/86/56/17/558865617.db2.gz FCMRWVIOBUJMNL-UHFFFAOYSA-N 0 0 422.525 5.300 40 30 HKEBRN FC(F)(F)C(F)(F)C(F)(F)N/N=C\c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000409030499 558865778 /nfs/dbraw/zinc/86/57/78/558865778.db2.gz DPZYJKKQJUFPSU-UMDHDWCXSA-N 0 0 423.115 5.967 40 30 HKEBRN C#CCn1c(C)c(/C=C2/C(=O)N(c3cc(F)c(F)cc3F)N=C2C)c2cccc(C)c21 ZINC000409030621 558865861 /nfs/dbraw/zinc/86/58/61/558865861.db2.gz GSIJQELAWVQTDP-LICLKQGHSA-N 0 0 421.422 5.115 40 30 HKEBRN C=CCOc1c(Cl)cc(Cl)cc1/C=N/NC(F)(F)C(F)(F)C(F)(F)F ZINC000409030941 560668327 /nfs/dbraw/zinc/66/83/27/560668327.db2.gz FUDMWBAEYUAJSM-TXNBCWFRSA-N 0 0 413.120 5.272 40 30 HKEBRN Fc1cccc(COc2ccc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)cc2)c1 ZINC000409030986 560668309 /nfs/dbraw/zinc/66/83/09/560668309.db2.gz GBRRWYCFGBTQLK-WMDMUMDLSA-N 0 0 412.280 5.119 40 30 HKEBRN CC[C@H](C)n1c(C)c(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)c2cccc(C)c21 ZINC000409031048 558866243 /nfs/dbraw/zinc/86/62/43/558866243.db2.gz GDGVMRRWPKIXSG-GQWYGNIFSA-N 0 0 411.365 5.943 40 30 HKEBRN CC[C@@H](C)n1c(C)c(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)c2cccc(C)c21 ZINC000409031050 558866224 /nfs/dbraw/zinc/86/62/24/558866224.db2.gz GDGVMRRWPKIXSG-KMPPRUNQSA-N 0 0 411.365 5.943 40 30 HKEBRN CCc1ccc(-n2c(C)cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)c2C)cc1 ZINC000409031129 558866194 /nfs/dbraw/zinc/86/61/94/558866194.db2.gz IXIHPYXNMUFJKM-KALUYTGESA-N 0 0 409.349 5.370 40 30 HKEBRN C=CCn1c(C)c(/C=C2/C(=O)N(c3ccccc3)N=C2C(F)(F)F)c2cc(C)ccc21 ZINC000409031167 560668292 /nfs/dbraw/zinc/66/82/92/560668292.db2.gz JCXDMFBEWMTOCF-XSFVSMFZSA-N 0 0 423.438 5.793 40 30 HKEBRN Cc1c(CN=Nc2c(F)c(F)c(C(F)(F)F)c(F)c2F)c2cc(C)ccc2n1C ZINC000409031720 558867147 /nfs/dbraw/zinc/86/71/47/558867147.db2.gz KMNQSGXELFRLDU-FEDGQQDLSA-N 0 0 417.328 5.816 40 30 HKEBRN Cc1cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)c(C)n1-c1cc(C)cc(C)c1 ZINC000409032066 560668416 /nfs/dbraw/zinc/66/84/16/560668416.db2.gz IBJKYTFDBJHWEW-WMDMUMDLSA-N 0 0 409.349 5.425 40 30 HKEBRN Cc1cccc(COc2ccc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)cc2)c1 ZINC000409032094 560668412 /nfs/dbraw/zinc/66/84/12/560668412.db2.gz IUTDBMLQEJUICO-KALUYTGESA-N 0 0 408.317 5.288 40 30 HKEBRN C#CCSc1ccc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)c2ccccc12 ZINC000409032771 558868400 /nfs/dbraw/zinc/86/84/00/558868400.db2.gz DFAVRDQAXIIVQA-MRUKODCESA-N 0 0 408.342 5.279 40 30 HKEBRN CC(=O)c1cccc(-n2c(C)cc(C=NNC(F)(F)C(F)(F)C(F)(F)F)c2C)c1 ZINC000409033005 560668410 /nfs/dbraw/zinc/66/84/10/560668410.db2.gz DBXKNYKYMOORDF-WMDMUMDLSA-N 0 0 423.332 5.011 40 30 HKEBRN Cc1ccc(Cl)cc1-c1ccc(/C=N/NC(F)(F)C(F)(F)C(F)(F)F)o1 ZINC000409033250 558869974 /nfs/dbraw/zinc/86/99/74/558869974.db2.gz OKDNBQHRYGPKQD-HCBMXOAHSA-N 0 0 402.697 5.622 40 30 HKEBRN Cc1cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)c(C)n1-c1cccc(C)c1C ZINC000409033333 558869975 /nfs/dbraw/zinc/86/99/75/558869975.db2.gz LMTYUWWYKQUWNS-WMDMUMDLSA-N 0 0 409.349 5.425 40 30 HKEBRN C=CCn1c(C)c(/C=C2/C(=O)N(c3ccccc3)N=C2C(F)(F)F)c2cccc(C)c21 ZINC000409033340 560668400 /nfs/dbraw/zinc/66/84/00/560668400.db2.gz FBVHHHREOXQFMN-XSFVSMFZSA-N 0 0 423.438 5.793 40 30 HKEBRN FC(F)(F)c1cccc(-c2ccc(/C=N/NC(F)(F)C(F)(F)C(F)(F)F)o2)c1 ZINC000409033447 558874051 /nfs/dbraw/zinc/87/40/51/558874051.db2.gz FGHYVMINAGGJIT-IOXBOXJCSA-N 0 0 422.222 5.679 40 30 HKEBRN FC(F)(F)C(F)(F)C(F)(F)N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000409033876 560668467 /nfs/dbraw/zinc/66/84/67/560668467.db2.gz GHHGENGHCRRAAZ-GFXGDVFHSA-N 0 0 423.115 5.967 40 30 HKEBRN CCCSc1ccc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)c2ccccc12 ZINC000409034106 558881570 /nfs/dbraw/zinc/88/15/70/558881570.db2.gz GQNLYVHLRHLNML-MRUKODCESA-N 0 0 412.374 6.056 40 30 HKEBRN CCOc1cc(/C=N/NC(F)(F)C(F)(F)C(F)(F)F)cc(Cl)c1OC(C)C ZINC000409034260 558882149 /nfs/dbraw/zinc/88/21/49/558882149.db2.gz QCRJAPVFXSFOFU-HCBMXOAHSA-N 0 0 424.744 5.240 40 30 HKEBRN C#CCn1c(C)c(/C=C2/C(=O)N(c3ccccc3)N=C2C(F)(F)F)c2cc(C)ccc21 ZINC000409034337 560668284 /nfs/dbraw/zinc/66/82/84/560668284.db2.gz QHTSPGDJOKLBOU-XSFVSMFZSA-N 0 0 421.422 5.240 40 30 HKEBRN CCCN1C2=C(C(=O)CC(C)(C)C2)C(c2ccccc2O)C2=C1CC(C)(C)CC2=O ZINC000409034408 560668680 /nfs/dbraw/zinc/66/86/80/560668680.db2.gz HAYMSPDFMPWAJK-UHFFFAOYSA-N 0 0 407.554 5.488 40 30 HKEBRN FC(F)(F)C(F)(F)C(F)(F)N/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000409034808 558884647 /nfs/dbraw/zinc/88/46/47/558884647.db2.gz IFENBBBSTOVPLZ-GFXGDVFHSA-N 0 0 423.115 5.967 40 30 HKEBRN C=CCOc1c(Cl)cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)cc1OCC ZINC000409035286 558885401 /nfs/dbraw/zinc/88/54/01/558885401.db2.gz PJFWJNDXDZRMCA-GYRAYZOKSA-N 0 0 422.728 5.017 40 30 HKEBRN C=CCOc1c(Cl)cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)cc1Cl ZINC000409035732 558886056 /nfs/dbraw/zinc/88/60/56/558886056.db2.gz QNQMBLYVMAKOCF-OUBWWKSTSA-N 0 0 413.120 5.272 40 30 HKEBRN Cc1cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)c(C)n1-c1cccc(Cl)c1 ZINC000409036013 558886824 /nfs/dbraw/zinc/88/68/24/558886824.db2.gz KXINTQSTOVNLBB-JAHAZDFLSA-N 0 0 415.740 5.461 40 30 HKEBRN CCOc1c(Cl)cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)cc1Cl ZINC000409036465 560668838 /nfs/dbraw/zinc/66/88/38/560668838.db2.gz WFUXTYOUOVVADO-IOMHPIHLSA-N 0 0 401.109 5.106 40 30 HKEBRN FC(F)(F)C(F)(F)C(F)(F)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000409037187 560668897 /nfs/dbraw/zinc/66/88/97/560668897.db2.gz SKXHVIWBOFIJAF-GFXGDVFHSA-N 0 0 423.115 5.967 40 30 HKEBRN Cc1cc(/C=N/NC(F)(F)C(F)(F)C(F)(F)F)c(C)n1-c1ccc(Cl)cc1 ZINC000409037506 558888571 /nfs/dbraw/zinc/88/85/71/558888571.db2.gz NUOPQOBTPZOLLQ-ZNLRHDTNSA-N 0 0 415.740 5.461 40 30 HKEBRN Cc1cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)c(C)n1-c1ccc(C)c(C)c1 ZINC000409037660 558888582 /nfs/dbraw/zinc/88/85/82/558888582.db2.gz UEYQETCFNKXMOA-WMDMUMDLSA-N 0 0 409.349 5.425 40 30 HKEBRN CC(C)Sc1ccc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)c2ccccc12 ZINC000409038050 560668480 /nfs/dbraw/zinc/66/84/80/560668480.db2.gz ULXSRWUKKSIOQH-MWYAZZEHSA-N 0 0 412.374 6.054 40 30 HKEBRN C#CCn1c(C)c(/C=C2/C(=O)N(c3ccccc3)N=C2C(F)(F)F)c2cccc(C)c21 ZINC000409038769 560668605 /nfs/dbraw/zinc/66/86/05/560668605.db2.gz FPYBSWMPMPZMPW-XSFVSMFZSA-N 0 0 421.422 5.240 40 30 HKEBRN Cc1c(CN=Nc2c(F)c(F)c(C(F)(F)F)c(F)c2F)c2cccc(C)c2n1C ZINC000409038777 560668616 /nfs/dbraw/zinc/66/86/16/560668616.db2.gz VULSMJJXUIOZAU-FEDGQQDLSA-N 0 0 417.328 5.816 40 30 HKEBRN Fc1ccccc1COc1cccc(/C=N/NC(F)(F)C(F)(F)C(F)(F)F)c1 ZINC000409038971 560668709 /nfs/dbraw/zinc/66/87/09/560668709.db2.gz WHUDDXSBYZWQAP-JQAMDZJQSA-N 0 0 412.280 5.119 40 30 HKEBRN Fc1ccccc1COc1ccc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)cc1 ZINC000409039379 560668660 /nfs/dbraw/zinc/66/86/60/560668660.db2.gz QRFOLMJKNQZNTO-WMDMUMDLSA-N 0 0 412.280 5.119 40 30 HKEBRN Cc1cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)c(C)n1-c1ccc(C)cc1C ZINC000409039965 560668906 /nfs/dbraw/zinc/66/89/06/560668906.db2.gz RUXKIRNHDXMNJU-WMDMUMDLSA-N 0 0 409.349 5.425 40 30 HKEBRN CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1ccc(C(F)(F)F)cc1 ZINC000409040391 558892490 /nfs/dbraw/zinc/89/24/90/558892490.db2.gz UAZAGJOFEFYXQA-UXBLZVDNSA-N 0 0 420.259 5.207 40 30 HKEBRN CCCCOc1c(Cl)cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)cc1OC ZINC000409040496 558892480 /nfs/dbraw/zinc/89/24/80/558892480.db2.gz YJUHEUARYQHXMU-GYRAYZOKSA-N 0 0 424.744 5.241 40 30 HKEBRN C#CCN1C(=O)S/C(=C/c2c(C)n(Cc3ccc(Cl)cc3)c3ccccc23)C1=O ZINC000409040578 558892594 /nfs/dbraw/zinc/89/25/94/558892594.db2.gz GUDYPHVZGBQUTF-FYJGNVAPSA-N 0 0 420.921 5.321 40 30 HKEBRN C=CCSc1ccc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)c2ccccc12 ZINC000409041238 558892910 /nfs/dbraw/zinc/89/29/10/558892910.db2.gz ZUCLUHNXDRHKEJ-MRUKODCESA-N 0 0 410.358 5.832 40 30 HKEBRN Fc1ccc(COc2cccc(/C=N/NC(F)(F)C(F)(F)C(F)(F)F)c2)cc1 ZINC000409041303 560668999 /nfs/dbraw/zinc/66/89/99/560668999.db2.gz URVYLEQACQANFG-JQAMDZJQSA-N 0 0 412.280 5.119 40 30 HKEBRN C=CCOc1c(Cl)cc(/C=C2\SC(=S)N(CC(C)C)C2=O)cc1OCC ZINC000409041341 560669009 /nfs/dbraw/zinc/66/90/09/560669009.db2.gz VAUWCUZBNRQRPJ-YBEGLDIGSA-N 0 0 411.976 5.161 40 30 HKEBRN Fc1ccc(COc2ccc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)cc2)cc1 ZINC000409041449 558893572 /nfs/dbraw/zinc/89/35/72/558893572.db2.gz ACGHIMLRECOQKA-WMDMUMDLSA-N 0 0 412.280 5.119 40 30 HKEBRN CC(=O)c1ccc(-n2c(C)cc(C=NNC(F)(F)C(F)(F)C(F)(F)F)c2C)cc1 ZINC000409041792 560669020 /nfs/dbraw/zinc/66/90/20/560669020.db2.gz JUGZBYNFAHTSQK-WMDMUMDLSA-N 0 0 423.332 5.011 40 30 HKEBRN O=[N+]([O-])c1ccc(/N=C/c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)cc1 ZINC000409042339 560669060 /nfs/dbraw/zinc/66/90/60/560669060.db2.gz MLWRFPAHVWICBX-BHGWPJFGSA-N 0 0 419.239 6.370 40 30 HKEBRN CCOc1c(Cl)cc(Cl)cc1C1C2=C(CCCC2=O)N(C)C2=C1C(=O)CCC2 ZINC000409042356 558891876 /nfs/dbraw/zinc/89/18/76/558891876.db2.gz MNFZGPQHYSSLOG-UHFFFAOYSA-N 0 0 420.336 5.435 40 30 HKEBRN COCCN1C2=C(C(=O)CC(C)(C)C2)C(c2ccccc2)C2=C1CC(C)(C)CC2=O ZINC000409042632 558891868 /nfs/dbraw/zinc/89/18/68/558891868.db2.gz XFMIRGYZITXLCR-UHFFFAOYSA-N 0 0 407.554 5.019 40 30 HKEBRN Cc1cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)c(C)n1-c1ccc(C(C)C)cc1 ZINC000409042728 558891906 /nfs/dbraw/zinc/89/19/06/558891906.db2.gz CIGDMMQXELEUCC-NCAUGAEKSA-N 0 0 423.376 5.931 40 30 HKEBRN O=C(COc1ccc(/C=N/c2ccc([N+](=O)[O-])cc2)cc1Cl)Nc1ccccc1 ZINC000409042747 560669058 /nfs/dbraw/zinc/66/90/58/560669058.db2.gz ORQLRMNTTNROET-YDZHTSKRSA-N 0 0 409.829 5.016 40 30 HKEBRN Fc1ccc(Cn2cc(C=NN=c3[nH]c4ccccc4s3)c3ccccc32)cc1 ZINC000409042966 560669215 /nfs/dbraw/zinc/66/92/15/560669215.db2.gz LYOYBIVNXGCCSJ-DHRITJCHSA-N 0 0 400.482 5.884 40 30 HKEBRN Fc1ccccc1COc1ccccc1/C=N\NC(F)(F)C(F)(F)C(F)(F)F ZINC000409043020 558891863 /nfs/dbraw/zinc/89/18/63/558891863.db2.gz YYXQZODIYSGDNB-WMDMUMDLSA-N 0 0 412.280 5.119 40 30 HKEBRN Fc1ccc(COc2ccccc2/C=N\NC(F)(F)C(F)(F)C(F)(F)F)cc1 ZINC000409043168 560669194 /nfs/dbraw/zinc/66/91/94/560669194.db2.gz ZXDIPRSLTNOBOQ-WMDMUMDLSA-N 0 0 412.280 5.119 40 30 HKEBRN C=CCn1c(C)c(/C=C2/C(=O)N(c3cc(F)c(F)cc3F)N=C2C)c2cc(C)ccc21 ZINC000409043263 560669219 /nfs/dbraw/zinc/66/92/19/560669219.db2.gz DNYXFFWSBMSBOY-MHWRWJLKSA-N 0 0 423.438 5.668 40 30 HKEBRN Cc1[nH]c2c(cccc2C)c1CN=Nc1c(F)c(F)c(C(F)(F)F)c(F)c1F ZINC000409043305 560669200 /nfs/dbraw/zinc/66/92/00/560669200.db2.gz YUQNBNZZRFCYDG-RROVHIOVSA-N 0 0 403.301 5.806 40 30 HKEBRN Cc1ccc(COc2c(Cl)cc(/C=N/c3ccc([N+](=O)[O-])cc3)cc2Cl)cc1 ZINC000409043648 560669241 /nfs/dbraw/zinc/66/92/41/560669241.db2.gz SPNMPWUZHZXZON-WYMPLXKRSA-N 0 0 415.276 6.540 40 30 HKEBRN C#CCN1C(=O)S/C(=C/c2cn(Cc3ccccc3Cl)c3ccccc23)C1=O ZINC000409043923 560669209 /nfs/dbraw/zinc/66/92/09/560669209.db2.gz AFHKJFYDSCPZCB-UDWIEESQSA-N 0 0 406.894 5.013 40 30 HKEBRN O/N=C/c1cc(Br)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409044261 560669291 /nfs/dbraw/zinc/66/92/91/560669291.db2.gz VAFQADLRFSAWPG-CNHKJKLMSA-N 0 0 419.500 5.252 40 30 HKEBRN CCCOc1c(Cl)cc(Cl)cc1C1C2=C(CCCC2=O)NC2=C1C(=O)CCC2 ZINC000409044406 560669353 /nfs/dbraw/zinc/66/93/53/560669353.db2.gz CPXFSEXPMWVCHT-UHFFFAOYSA-N 0 0 420.336 5.483 40 30 HKEBRN COc1cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)cc(Cl)c1OCC(C)C ZINC000409044550 560669335 /nfs/dbraw/zinc/66/93/35/560669335.db2.gz GXGDTPKWPBYPEF-UMDHDWCXSA-N 0 0 424.744 5.097 40 30 HKEBRN COc1ccc2c(c1)Cc1sc(/N=C\c3ccc(OCc4ccccc4)cc3)nc1-2 ZINC000409044825 558896704 /nfs/dbraw/zinc/89/67/04/558896704.db2.gz DMZGWJAQHNIDFK-YSMPRRRNSA-N 0 0 412.514 6.053 40 30 HKEBRN CCCOc1c(Cl)cc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc1Cl ZINC000409044952 558896614 /nfs/dbraw/zinc/89/66/14/558896614.db2.gz DTLHNYLBHNIGOP-UHFFFAOYSA-N 0 0 421.320 5.910 40 30 HKEBRN COc1c(Cl)cc(Cl)cc1C1C2=C(CCCC2=O)N(C)C2=C1C(=O)CCC2 ZINC000409045137 560669294 /nfs/dbraw/zinc/66/92/94/560669294.db2.gz FGUKMWIBBYPUDH-UHFFFAOYSA-N 0 0 406.309 5.045 40 30 HKEBRN C#CCOc1c(Cl)cc(Cl)cc1C1C2=C(CCCC2=O)OC2=C1C(=O)CCC2 ZINC000409045260 558896923 /nfs/dbraw/zinc/89/69/23/558896923.db2.gz FXWQUWYAENHENY-UHFFFAOYSA-N 0 0 417.288 5.133 40 30 HKEBRN CC(C)Oc1c(Cl)cc(Cl)cc1/C=N/NC(F)(F)C(F)(F)C(F)(F)F ZINC000409045263 558896957 /nfs/dbraw/zinc/89/69/57/558896957.db2.gz IICMRNPZGXVWJD-MUDSWDHVSA-N 0 0 415.136 5.495 40 30 HKEBRN C#CCn1c(C)c(/C=C2/C(=O)N(c3cc(F)c(F)cc3F)N=C2C)c2cc(C)ccc21 ZINC000409045300 560669333 /nfs/dbraw/zinc/66/93/33/560669333.db2.gz IKYUGZMPWXYMJC-MHWRWJLKSA-N 0 0 421.422 5.115 40 30 HKEBRN CCOc1c(Cl)cc(Cl)cc1C1C2=C(CCCC2=O)OC2=C1C(=O)CCC2 ZINC000409045522 560669436 /nfs/dbraw/zinc/66/94/36/560669436.db2.gz YXVVWGRVRPRYBP-UHFFFAOYSA-N 0 0 407.293 5.520 40 30 HKEBRN O/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1 ZINC000409045541 558896876 /nfs/dbraw/zinc/89/68/76/558896876.db2.gz ZCFKVQVHYGQFOP-CNHKJKLMSA-N 0 0 419.500 5.252 40 30 HKEBRN O=[N+]([O-])c1ccc(/N=C/c2cc(Cl)cc(Cl)c2OCc2cccc(F)c2)cc1 ZINC000409045727 560669400 /nfs/dbraw/zinc/66/94/00/560669400.db2.gz HIKJDAUCJNCUKY-BHGWPJFGSA-N 0 0 419.239 6.370 40 30 HKEBRN COc1c(Cl)cc(C2C3=C(CCCC3=O)N(C)C3=C2C(=O)CCC3)cc1Cl ZINC000409045792 558897100 /nfs/dbraw/zinc/89/71/00/558897100.db2.gz IAZOGVGKFBEGFF-UHFFFAOYSA-N 0 0 406.309 5.045 40 30 HKEBRN O/N=C/c1cc(Br)cc(Br)c1OCc1cccc(Cl)c1 ZINC000409046067 558897006 /nfs/dbraw/zinc/89/70/06/558897006.db2.gz IMIXXGFPKLMEAP-CNHKJKLMSA-N 0 0 419.500 5.252 40 30 HKEBRN O=C1C=CC(=NNc2ccccc2)C=C1C=NNC(F)(F)C(F)(F)C(F)(F)F ZINC000409046830 558894046 /nfs/dbraw/zinc/89/40/46/558894046.db2.gz KUZLWWZMKGNRNH-KDCQASJNSA-N 0 0 408.277 5.522 40 30 HKEBRN C=CCOc1c(Cl)cc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc1Cl ZINC000409047029 560669047 /nfs/dbraw/zinc/66/90/47/560669047.db2.gz MCALQEBIVAFBAX-UHFFFAOYSA-N 0 0 419.304 5.686 40 30 HKEBRN C=CCOc1c(Cl)cc(Cl)cc1C1C2=C(CCCC2=O)OC2=C1C(=O)CCC2 ZINC000409047454 560669738 /nfs/dbraw/zinc/66/97/38/560669738.db2.gz OVNYJGFSLCOACG-UHFFFAOYSA-N 0 0 419.304 5.686 40 30 HKEBRN Cc1cccc(NC(=O)COc2ccc(Cl)cc2/C=N/c2ccc([N+](=O)[O-])cc2)c1 ZINC000409047608 560669744 /nfs/dbraw/zinc/66/97/44/560669744.db2.gz OZGHQTOIWJLVGE-ZMOGYAJESA-N 0 0 423.856 5.325 40 30 HKEBRN C=CCn1c(C)c(/C=C2/C(=O)N(c3cc(F)c(F)cc3F)N=C2C)c2cccc(C)c21 ZINC000409047780 558894880 /nfs/dbraw/zinc/89/48/80/558894880.db2.gz NCGXYQXWTSOSEG-LICLKQGHSA-N 0 0 423.438 5.668 40 30 HKEBRN Cc1ccc(COc2c(Cl)cc(Cl)cc2/C=N/c2ccc([N+](=O)[O-])cc2)cc1 ZINC000409047845 558894909 /nfs/dbraw/zinc/89/49/09/558894909.db2.gz NKUHUBBWTLMPHT-WYMPLXKRSA-N 0 0 415.276 6.540 40 30 HKEBRN CCCOc1c(Cl)cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)cc1Cl ZINC000409048017 560669729 /nfs/dbraw/zinc/66/97/29/560669729.db2.gz VRIHOSNXZSDSIJ-OUBWWKSTSA-N 0 0 415.136 5.496 40 30 HKEBRN FC(F)(F)C(F)(F)C(F)(F)N/N=C/c1cn(Cc2ccccc2)c2ccccc12 ZINC000409048018 560669723 /nfs/dbraw/zinc/66/97/23/560669723.db2.gz VRZMONKWVPUGOU-YPXUMCKCSA-N 0 0 417.328 5.404 40 30 HKEBRN CCOc1c(Cl)cc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc1Cl ZINC000409048029 560669754 /nfs/dbraw/zinc/66/97/54/560669754.db2.gz QKQHAOUQDGLSQJ-UHFFFAOYSA-N 0 0 407.293 5.520 40 30 HKEBRN C#CCOc1c(Cl)cc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc1Cl ZINC000409048594 560669861 /nfs/dbraw/zinc/66/98/61/560669861.db2.gz SLQDSHUPXKDGRN-UHFFFAOYSA-N 0 0 417.288 5.133 40 30 HKEBRN O=[N+]([O-])c1ccc(/N=C/c2cc(Cl)cc(Cl)c2OCc2ccc(F)cc2)cc1 ZINC000409048792 558895055 /nfs/dbraw/zinc/89/50/55/558895055.db2.gz UCRWIHIKZRYPCL-BHGWPJFGSA-N 0 0 419.239 6.370 40 30 HKEBRN O/N=C/c1cc(Br)c(OCc2cccc(Cl)c2)c(Br)c1 ZINC000409048822 558895306 /nfs/dbraw/zinc/89/53/06/558895306.db2.gz UEQCWAQIHLQOBR-CNHKJKLMSA-N 0 0 419.500 5.252 40 30 HKEBRN C=CCOc1c(Cl)cc(Cl)cc1C1C2=C(CCCC2=O)NC2=C1C(=O)CCC2 ZINC000409048879 560669844 /nfs/dbraw/zinc/66/98/44/560669844.db2.gz UKOFOMGWHVJMKY-UHFFFAOYSA-N 0 0 418.320 5.259 40 30 HKEBRN O=C1CCCC2=C1C(c1ccccc1O)C1=C(CCCC1=O)N2CCc1ccccc1 ZINC000409049186 558895509 /nfs/dbraw/zinc/89/55/09/558895509.db2.gz YCRHIRSTDGOZTH-UHFFFAOYSA-N 0 0 413.517 5.048 40 30 HKEBRN O=[N+]([O-])c1ccc(/N=C/c2cc(Cl)cc(Cl)c2OCc2ccccc2)cc1 ZINC000409049539 558895608 /nfs/dbraw/zinc/89/56/08/558895608.db2.gz WFUHVAPIXNKESB-FSJBWODESA-N 0 0 401.249 6.231 40 30 HKEBRN O=[N+]([O-])c1ccc(/N=C/c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)cc1 ZINC000409049589 558895575 /nfs/dbraw/zinc/89/55/75/558895575.db2.gz WWGVMPFLYAUYRI-BHGWPJFGSA-N 0 0 419.239 6.370 40 30 HKEBRN Cc1cccc(NC(=O)COc2ccc(/C=N/c3ccc([N+](=O)[O-])cc3)cc2Cl)c1 ZINC000409049830 560669953 /nfs/dbraw/zinc/66/99/53/560669953.db2.gz XWNCYTSGQLBCJW-ZMOGYAJESA-N 0 0 423.856 5.325 40 30 HKEBRN C#CCN1C(=O)S/C(=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C1=O ZINC000409049910 558895923 /nfs/dbraw/zinc/89/59/23/558895923.db2.gz YOZBJZQEFKESPN-VCHYOVAHSA-N 0 0 418.301 5.242 40 30 HKEBRN Cc1[nH]c2ccc(C)cc2c1CN=Nc1c(F)c(F)c(C(F)(F)F)c(F)c1F ZINC000409050385 558895947 /nfs/dbraw/zinc/89/59/47/558895947.db2.gz VFFIEGFYWADWCG-RROVHIOVSA-N 0 0 403.301 5.806 40 30 HKEBRN CC[C@H](C)n1c(C)c(CN=Nc2c(F)c(F)c(F)c(F)c2F)c2cccc(C)c21 ZINC000409050637 558895892 /nfs/dbraw/zinc/89/58/92/558895892.db2.gz YADZBBUCVDEFSK-HETASGFPSA-N 0 0 409.402 6.371 40 30 HKEBRN CC[C@@H](C)n1c(C)c(CN=Nc2c(F)c(F)c(F)c(F)c2F)c2cccc(C)c21 ZINC000409050638 558895842 /nfs/dbraw/zinc/89/58/42/558895842.db2.gz YADZBBUCVDEFSK-LIZQJMPGSA-N 0 0 409.402 6.371 40 30 HKEBRN O=C(O/N=C(/Cc1ccccc1)c1cccs1)c1ccccc1Br ZINC000409050814 558895905 /nfs/dbraw/zinc/89/59/05/558895905.db2.gz AEQAHFJXWSRPDT-FXBPSFAMSA-N 0 0 400.297 5.314 40 30 HKEBRN O=C(O/N=C(/Cc1ccccc1)c1cccs1)C(c1ccccc1)c1ccccc1 ZINC000409051003 560669962 /nfs/dbraw/zinc/66/99/62/560669962.db2.gz GPFYSRAAZVFFIH-VYIQYICTSA-N 0 0 411.526 6.070 40 30 HKEBRN CC(N=Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)c1ccc(-c2ccccc2)cc1 ZINC000409051196 560670013 /nfs/dbraw/zinc/67/00/13/560670013.db2.gz ADJMQIQJYBMNKG-PCLIKHOPSA-N 0 0 414.490 6.221 40 30 HKEBRN FC(F)(F)c1ccccc1CN=Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC000409051358 560670107 /nfs/dbraw/zinc/67/01/07/560670107.db2.gz LFFCPIVQXPHQOX-LIMNOBDPSA-N 0 0 416.255 6.582 40 30 HKEBRN C=CCn1c(C)c(/C=C2\SC(=O)N(CCOc3ccccc3)C2=O)c2ccccc21 ZINC000409051384 560670095 /nfs/dbraw/zinc/67/00/95/560670095.db2.gz CYRQDULNQSVIDG-JWGURIENSA-N 0 0 418.518 5.251 40 30 HKEBRN CC(N=Nc1nc(-c2ccccc2)cs1)c1ccc(OC(=O)c2ccccc2)cc1 ZINC000409052258 560670179 /nfs/dbraw/zinc/67/01/79/560670179.db2.gz GWUJHDKWWGJDQN-YZSQISJMSA-N 0 0 413.502 5.865 40 30 HKEBRN C=CCOc1ccc(/C=C2\SC(=O)N(c3ccccc3OC)C2=O)cc1Cl ZINC000409052367 560669531 /nfs/dbraw/zinc/66/95/31/560669531.db2.gz CZDUHBUPMLXKAM-PDGQHHTCSA-N 0 0 401.871 5.154 40 30 HKEBRN CC(N=Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccc(Br)cc1 ZINC000409052505 558898697 /nfs/dbraw/zinc/89/86/97/558898697.db2.gz JYKWJFUDWBSFJX-RGVLZGJSSA-N 0 0 417.288 5.317 40 30 HKEBRN CC(N=Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccc(C2CCCCC2)cc1 ZINC000409052514 558898628 /nfs/dbraw/zinc/89/86/28/558898628.db2.gz UJXFDWBPKHATDZ-QQXSKIMKSA-N 0 0 409.986 7.347 40 30 HKEBRN O=C(O/N=C(/Cc1ccccc1)c1cccs1)c1cc([N+](=O)[O-])ccc1Cl ZINC000409052517 560669530 /nfs/dbraw/zinc/66/95/30/560669530.db2.gz ULPYNNYMYYUEJC-FXBPSFAMSA-N 0 0 400.843 5.114 40 30 HKEBRN CC(=CCc1ccccc1F)N=Nc1nc(-c2ccc(Br)cc2)cs1 ZINC000409052592 560669516 /nfs/dbraw/zinc/66/95/16/560669516.db2.gz IQQUFZNVWNSBGF-IFYJTALQSA-N 0 0 416.319 6.213 40 30 HKEBRN C#CCN1C(=O)S/C(=C/c2ccc(-c3ccc(Br)c(Cl)c3)o2)C1=O ZINC000409052755 558898657 /nfs/dbraw/zinc/89/86/57/558898657.db2.gz AFZAGRJDYZQJAO-OQLLNIDSSA-N 0 0 422.687 5.032 40 30 HKEBRN O=C(O/N=C(/Cc1ccccc1)c1cccs1)c1cccc(Br)c1 ZINC000409053021 560669616 /nfs/dbraw/zinc/66/96/16/560669616.db2.gz WDMUDGNFANTASL-FXBPSFAMSA-N 0 0 400.297 5.314 40 30 HKEBRN C=CCOc1ccc(/C=C2\SC(=O)N(CCOc3ccccc3)C2=O)cc1Cl ZINC000409053122 560669626 /nfs/dbraw/zinc/66/96/26/560669626.db2.gz KUMBIKIHOIJSRX-RGEXLXHISA-N 0 0 415.898 5.020 40 30 HKEBRN O=C(O/N=C(/Cc1ccccc1)c1cccs1)c1ccc(Br)cc1 ZINC000409053155 558898683 /nfs/dbraw/zinc/89/86/83/558898683.db2.gz LMLPZSPXVLZYPC-FXBPSFAMSA-N 0 0 400.297 5.314 40 30 HKEBRN C=CCn1c(C)c(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)c2ccccc21 ZINC000409053186 560669624 /nfs/dbraw/zinc/66/96/24/560669624.db2.gz LYYSEMLOFHRRGC-HMAPJEAMSA-N 0 0 418.587 5.846 40 30 HKEBRN CC(N=Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)c1ccc(Br)cc1 ZINC000409053216 560669606 /nfs/dbraw/zinc/66/96/06/560669606.db2.gz NCFQQXHJQHVTDO-RGVLZGJSSA-N 0 0 417.288 5.317 40 30 HKEBRN O=[N+]([O-])c1ccc(/N=C/c2cc(Cl)c(OCc3ccccc3)c(Cl)c2)cc1 ZINC000409053341 560669731 /nfs/dbraw/zinc/66/97/31/560669731.db2.gz BZAPWBLTNAWJNG-FSJBWODESA-N 0 0 401.249 6.231 40 30 HKEBRN Oc1c(/C=N/c2ccc(Br)cc2Br)ccc2ccccc12 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5.348 40 30 HKEBRN S=C1N=NC(c2ccccc2)N1N=Cc1ccc(OCc2ccccc2Cl)cc1 ZINC000409056955 560670482 /nfs/dbraw/zinc/67/04/82/560670482.db2.gz FPCPEEUKJYWVRV-ZVHZXABRSA-N 0 0 420.925 5.348 40 30 HKEBRN O=C(O/N=C(/Cc1ccccc1)c1cccs1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000409057142 558897382 /nfs/dbraw/zinc/89/73/82/558897382.db2.gz ULTUNNPMGJKBLY-PGMHBOJBSA-N 0 0 400.843 5.114 40 30 HKEBRN C=CCOc1ccc(C(C)N=Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 ZINC000409057200 560670487 /nfs/dbraw/zinc/67/04/87/560670487.db2.gz UVCJITRPRDXGNG-ZMOGYAJESA-N 0 0 418.349 6.518 40 30 HKEBRN CCOc1cc(CN=Nc2nc(C)cs2)ccc1OC(=O)c1ccc(Cl)cc1 ZINC000409057619 560670594 /nfs/dbraw/zinc/67/05/94/560670594.db2.gz KFUQXHMBBUDPPL-SSDVNMTOSA-N 0 0 415.902 5.169 40 30 HKEBRN O=C(COc1ccc(Cl)cc1/C=N/c1ccc([N+](=O)[O-])cc1)Nc1ccccc1 ZINC000409057735 560670588 /nfs/dbraw/zinc/67/05/88/560670588.db2.gz QNXKWONDNYLRII-YDZHTSKRSA-N 0 0 409.829 5.016 40 30 HKEBRN O=[N+]([O-])c1ccc(/N=C/c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)cc1 ZINC000409058146 560670701 /nfs/dbraw/zinc/67/07/01/560670701.db2.gz RRRQMHKLTKCNTI-BHGWPJFGSA-N 0 0 419.239 6.370 40 30 HKEBRN Cc1csc(N=NCc2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc2)n1 ZINC000409058888 558897803 /nfs/dbraw/zinc/89/78/03/558897803.db2.gz ZDKKAJRGJVURMS-ZVBGSRNCSA-N 0 0 406.294 5.424 40 30 HKEBRN CC(N=Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)c1ccc(C2CCCCC2)cc1 ZINC000409058934 560670842 /nfs/dbraw/zinc/67/08/42/560670842.db2.gz ZSWZIGGBBOIUMI-XYGWBWBKSA-N 0 0 420.538 6.602 40 30 HKEBRN Cc1cc(N2CCCC2)ccc1/C=N/c1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 ZINC000409058984 558897762 /nfs/dbraw/zinc/89/77/62/558897762.db2.gz QBKZONLKCYYPPB-BWJYWGHISA-N 0 0 405.611 6.430 40 30 HKEBRN Cc1cc(N2CCCC2)ccc1/C=N/c1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 ZINC000409058985 558897759 /nfs/dbraw/zinc/89/77/59/558897759.db2.gz QBKZONLKCYYPPB-FQNOVECQSA-N 0 0 405.611 6.430 40 30 HKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(/N=C/c3ccc(N4CCOCC4)cc3)sc2C1 ZINC000409059901 560670988 /nfs/dbraw/zinc/67/09/88/560670988.db2.gz PCVHGQPKZPJACT-CVLFLDGLSA-N 0 0 407.583 5.358 40 30 HKEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(/N=C/c3ccc(N4CCOCC4)cc3)sc2C1 ZINC000409059903 558906307 /nfs/dbraw/zinc/90/63/07/558906307.db2.gz PCVHGQPKZPJACT-PMFZIYJTSA-N 0 0 407.583 5.358 40 30 HKEBRN O/N=C/c1cc(Br)cc(Br)c1OCc1ccccc1Cl ZINC000409060271 560671098 /nfs/dbraw/zinc/67/10/98/560671098.db2.gz ZBLSYPDUHGTIBD-CNHKJKLMSA-N 0 0 419.500 5.252 40 30 HKEBRN Cc1cc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)ccc1N1CCCC1 ZINC000409060569 560671191 /nfs/dbraw/zinc/67/11/91/560671191.db2.gz URVIYEIZCUWCON-BWJYWGHISA-N 0 0 405.611 6.430 40 30 HKEBRN Cc1cc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)ccc1N1CCCC1 ZINC000409060570 558899936 /nfs/dbraw/zinc/89/99/36/558899936.db2.gz URVIYEIZCUWCON-FQNOVECQSA-N 0 0 405.611 6.430 40 30 HKEBRN Cc1ccc(COc2ccccc2C=NN2C(=S)N=NC2c2ccccc2)cc1 ZINC000409060622 558900007 /nfs/dbraw/zinc/90/00/07/558900007.db2.gz VNNUWYJMKUZYAZ-BUVRLJJBSA-N 0 0 400.507 5.003 40 30 HKEBRN C=CCOc1ccc(/C=C2\SC(=O)N(c3ccccc3Cl)C2=O)cc1OC ZINC000409060623 558900024 /nfs/dbraw/zinc/90/00/24/558900024.db2.gz VOPZKNYWCBGJHC-PDGQHHTCSA-N 0 0 401.871 5.154 40 30 HKEBRN C#CCOc1ccc(/C=C2\SC(=O)N(c3ccccc3Cl)C2=O)cc1Cl ZINC000409060900 560672682 /nfs/dbraw/zinc/67/26/82/560672682.db2.gz ABWJCEISKADWRL-BOPFTXTBSA-N 0 0 404.274 5.246 40 30 HKEBRN Cc1cccc(COc2ccccc2C=NN2C(=S)N=NC2c2ccccc2)c1 ZINC000409060916 560672662 /nfs/dbraw/zinc/67/26/62/560672662.db2.gz AGWIRXFOUUNJJF-BUVRLJJBSA-N 0 0 400.507 5.003 40 30 HKEBRN COc1cc(CN=Nc2nc(C)cs2)ccc1OC(=O)c1ccc(C(C)(C)C)cc1 ZINC000409061266 558899900 /nfs/dbraw/zinc/89/99/00/558899900.db2.gz YSXYUNIMOPDRDP-ZMOGYAJESA-N 0 0 423.538 5.423 40 30 HKEBRN C=CCOc1ccc(/C=C2\SC(=O)N(c3ccccc3Cl)C2=O)cc1Cl ZINC000409062406 560671901 /nfs/dbraw/zinc/67/19/01/560671901.db2.gz UEDRZTRFEYGVFP-BOPFTXTBSA-N 0 0 406.290 5.799 40 30 HKEBRN COc1ccc(C(=O)C=CNc2ccc(Br)cc2Br)cc1 ZINC000409062529 560671906 /nfs/dbraw/zinc/67/19/06/560671906.db2.gz WHJBEPUFAYSADO-CMDGGOBGSA-N 0 0 411.093 5.029 40 30 HKEBRN COc1cc(C(=O)C=CNc2ccccc2Oc2ccccc2)cc(OC)c1OC ZINC000409062708 560671914 /nfs/dbraw/zinc/67/19/14/560671914.db2.gz ZJYZHLGJGNFWBK-BUHFOSPRSA-N 0 0 405.450 5.313 40 30 HKEBRN COc1ccc(N=C2NC(=O)/C(=C/c3cc(C)n(-c4ccccc4C)c3C)S2)cc1 ZINC000409062737 558900201 /nfs/dbraw/zinc/90/02/01/558900201.db2.gz ABFHQIITVRHTND-HMAPJEAMSA-N 0 0 417.534 5.303 40 30 HKEBRN CCCOc1ccc2ccccc2c1/C=N/c1sc2c(c1C(=O)OCC)CCCC2 ZINC000409062965 560672024 /nfs/dbraw/zinc/67/20/24/560672024.db2.gz DRGLZBNUOALDSJ-WGOQTCKBSA-N 0 0 421.562 6.496 40 30 HKEBRN COC(=O)c1ccc(-c2ccc(/C=N\c3sc4c(c3C#N)CCCC4)o2)cc1Cl ZINC000409062990 558900171 /nfs/dbraw/zinc/90/01/71/558900171.db2.gz DZZGZOBJDYEXDC-ROTLSHHCSA-N 0 0 424.909 5.949 40 30 HKEBRN COc1ccc(-n2c(C)cc(/C=N\c3sc4c(c3C#N)CCCC4)c2C)cc1Cl ZINC000409063135 560671997 /nfs/dbraw/zinc/67/19/97/560671997.db2.gz HQAXYQBQZNFBDJ-ZMFRSBBQSA-N 0 0 423.969 6.319 40 30 HKEBRN CCOc1ccc2ccc(OCC)c(/C=N/c3sc4c(c3C#N)CCCC4)c2c1 ZINC000409063233 558900229 /nfs/dbraw/zinc/90/02/29/558900229.db2.gz JENRVKVJUBQXAA-CVKSISIWSA-N 0 0 404.535 6.200 40 30 HKEBRN CCOC(=O)c1c(/N=C\c2cc(C)n(-c3ccc(C)cc3)c2C)sc2c1CCCC2 ZINC000409063282 558900118 /nfs/dbraw/zinc/90/01/18/558900118.db2.gz JXWRLERCXLTFNZ-YSMPRRRNSA-N 0 0 420.578 6.270 40 30 HKEBRN Cc1cc(CN=Nc2ccc(C(F)(F)F)cn2)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000409063375 560671999 /nfs/dbraw/zinc/67/19/99/560671999.db2.gz AULVKKNNYVVVPD-JQAMDZJQSA-N 0 0 410.802 5.746 40 30 HKEBRN O=C1ON=C(c2ccccc2)/C1=C/c1cccc(OCc2ccc(Cl)c(Cl)c2)c1 ZINC000409063426 558900112 /nfs/dbraw/zinc/90/01/12/558900112.db2.gz BPSAOOSWOLCNLR-UNOMPAQXSA-N 0 0 424.283 5.917 40 30 HKEBRN COc1ccc(-n2c(C)cc(C=NN=c3[nH]c4ccccc4s3)c2C)cc1Cl ZINC000409063471 560672005 /nfs/dbraw/zinc/67/20/05/560672005.db2.gz LKFVXSPWSQDQSP-FSJBWODESA-N 0 0 410.930 5.812 40 30 HKEBRN Cc1cc(/C=C2\SC(=Nc3ccc(C)cc3C)NC2=O)c(C)n1-c1ccccc1C ZINC000409063517 560672021 /nfs/dbraw/zinc/67/20/21/560672021.db2.gz MCEHRBHGUFEYSC-UCQKPKSFSA-N 0 0 415.562 5.911 40 30 HKEBRN CCOC(=O)c1c(/N=C\c2cc(C)n(-c3cccc(C)c3)c2C)sc2c1CCCC2 ZINC000409063542 560672014 /nfs/dbraw/zinc/67/20/14/560672014.db2.gz MICBMJPUNPUIBE-YSMPRRRNSA-N 0 0 420.578 6.270 40 30 HKEBRN Cc1cc(CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)n1-c1ccccc1Cl ZINC000409063950 560672126 /nfs/dbraw/zinc/67/21/26/560672126.db2.gz OCWCOVGEYPWTJG-SRZZPIQSSA-N 0 0 413.821 5.010 40 30 HKEBRN C=C[C@H](C)N1C(=O)S/C(=C\c2ccc(Sc3ccc(Cl)cc3)cc2)C1=O ZINC000409063997 560672133 /nfs/dbraw/zinc/67/21/33/560672133.db2.gz AYVDPIZACOMSGU-CYUIRQCWSA-N 0 0 401.940 6.102 40 30 HKEBRN C=C[C@@H](C)N1C(=O)S/C(=C\c2ccc(Sc3ccc(Cl)cc3)cc2)C1=O ZINC000409064000 558900391 /nfs/dbraw/zinc/90/03/91/558900391.db2.gz AYVDPIZACOMSGU-FDIDITGRSA-N 0 0 401.940 6.102 40 30 HKEBRN Cc1ccc(-c2ccc(CN=Nc3ccc(C(F)(F)F)cn3)o2)c(Br)c1 ZINC000409064116 560672099 /nfs/dbraw/zinc/67/20/99/560672099.db2.gz GIPMSZWUHNWCHD-VROXFSQNSA-N 0 0 424.220 5.877 40 30 HKEBRN C=CCN1C(=O)S/C(=C/c2cc(C)n(-c3ccccc3Br)c2C)C1=O ZINC000409064202 560672134 /nfs/dbraw/zinc/67/21/34/560672134.db2.gz CCRVUESHSOHQSE-GZTJUZNOSA-N 0 0 417.328 5.079 40 30 HKEBRN Cc1cc(CN=Nc2ncccc2[N+](=O)[O-])c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000409064842 558900925 /nfs/dbraw/zinc/90/09/25/558900925.db2.gz FUDNAGRLAAZHBZ-YVNNLAQVSA-N 0 0 404.257 5.150 40 30 HKEBRN CCCCOC(=O)c1ccc(-c2ccc(C=NNc3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000409064954 560672210 /nfs/dbraw/zinc/67/22/10/560672210.db2.gz RGFSIACCTACGKM-HZHRSRAPSA-N 0 0 407.426 5.258 40 30 HKEBRN CCOc1cc(CN=Nc2ccc(C(F)(F)F)cn2)ccc1OCc1ccccc1 ZINC000409065039 560672227 /nfs/dbraw/zinc/67/22/27/560672227.db2.gz KOHBYFMXBUPILC-UVHMKAGCSA-N 0 0 415.415 5.524 40 30 HKEBRN C=CCN1C(=O)S/C(=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C1=O ZINC000409065104 560672222 /nfs/dbraw/zinc/67/22/22/560672222.db2.gz HKGVSJMQPIFOHW-WOJGMQOQSA-N 0 0 420.317 5.795 40 30 HKEBRN CCn1c(C)cc(/C=C2\S/C(=N\C3CCCCC3)N(C3CCCCC3)C2=O)c1C ZINC000409065161 558901003 /nfs/dbraw/zinc/90/10/03/558901003.db2.gz GRZFRAHJMAMBDN-WMOWQXFYSA-N 0 0 413.631 6.063 40 30 HKEBRN Cc1cc(N2CCOCC2)ccc1/C=N/c1ccc(Oc2ccccc2Cl)cc1 ZINC000409065273 558901272 /nfs/dbraw/zinc/90/12/72/558901272.db2.gz IPPXBHRFNSHMPI-YZSQISJMSA-N 0 0 406.913 6.028 40 30 HKEBRN C=CCN1C(=O)/C(=C/c2ccc(Sc3ccc(Cl)cc3)cc2)SC1=S ZINC000409065274 560672229 /nfs/dbraw/zinc/67/22/29/560672229.db2.gz IQFDBCQPAKVACJ-ATVHPVEESA-N 0 0 403.981 5.878 40 30 HKEBRN FC(F)(F)c1ccc(NN=Cc2ccc(Sc3nc4ccccc4[nH]3)o2)nc1 ZINC000409065308 560672204 /nfs/dbraw/zinc/67/22/04/560672204.db2.gz HNCOOBBNJHXTHB-AUEPDCJTSA-N 0 0 403.389 5.167 40 30 HKEBRN COc1ccccc1Oc1ccc(/N=C/c2ccc(N3CCOCC3)cc2C)cc1 ZINC000409065481 558901351 /nfs/dbraw/zinc/90/13/51/558901351.db2.gz ISLRNGKSBKRDRS-NLRVBDNBSA-N 0 0 402.494 5.383 40 30 HKEBRN C=CCc1cc(/C=N/c2ccc([N+](=O)[O-])cc2)cc(OC)c1OCc1ccc(C)cc1 ZINC000409065527 560672274 /nfs/dbraw/zinc/67/22/74/560672274.db2.gz MIOGNZYJYYRLTE-WGOQTCKBSA-N 0 0 416.477 5.970 40 30 HKEBRN Cc1cc(Br)ccc1/N=C\c1ccc(Sc2ccc(Cl)cc2)cc1 ZINC000409065625 560672304 /nfs/dbraw/zinc/67/23/04/560672304.db2.gz JSQNOPOLOJQBMW-QRVIBDJDSA-N 0 0 416.771 7.313 40 30 HKEBRN Clc1ccc(Sc2ccc(/C=N\c3ccccc3Br)cc2)cc1 ZINC000409065628 560672278 /nfs/dbraw/zinc/67/22/78/560672278.db2.gz JUJDYDPTKWHNFE-XKZIYDEJSA-N 0 0 402.744 7.004 40 30 HKEBRN CCOc1cc(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc(Cl)c1OC ZINC000409065766 560672257 /nfs/dbraw/zinc/67/22/57/560672257.db2.gz NCIIMTNDPPRUCO-LSFURLLWSA-N 0 0 417.771 5.120 40 30 HKEBRN C=CCN1C(=O)S/C(=C/c2ccc(OCc3ccccc3Cl)c(OC)c2)C1=O ZINC000409065989 560672264 /nfs/dbraw/zinc/67/22/64/560672264.db2.gz OFIQGWBARSFCEJ-XDHOZWIPSA-N 0 0 415.898 5.150 40 30 HKEBRN O=[N+]([O-])c1cccnc1N=NCc1cn(Cc2ccccc2Cl)c2ccccc12 ZINC000409066021 560672311 /nfs/dbraw/zinc/67/23/11/560672311.db2.gz LKPDVBUYVKFGNH-WYMPLXKRSA-N 0 0 405.845 5.092 40 30 HKEBRN Cc1ccc(Cn2cc(CN=Nc3ccc(C(F)(F)F)cn3)c3ccccc32)cc1 ZINC000409066168 558902264 /nfs/dbraw/zinc/90/22/64/558902264.db2.gz KFEHKKGSEIUKII-KVSWJAHQSA-N 0 0 408.427 5.858 40 30 HKEBRN C=CCOc1c(CC=C)cc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc1OC ZINC000409066394 560672399 /nfs/dbraw/zinc/67/23/99/560672399.db2.gz OOVGIOYEGJLSHK-UHFFFAOYSA-N 0 0 420.505 5.117 40 30 HKEBRN Cc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2ccc(N3CCCC3)c(F)c2)S1 ZINC000409066697 560672394 /nfs/dbraw/zinc/67/23/94/560672394.db2.gz NTKJZBATCHDVMJ-ODLFYWEKSA-N 0 0 415.921 5.279 40 30 HKEBRN COc1cccc(Oc2ccc(/N=C/c3ccc(N4CCOCC4)cc3C)cc2)c1 ZINC000409066779 558909885 /nfs/dbraw/zinc/90/98/85/558909885.db2.gz CMNILBWGXDERRP-NLRVBDNBSA-N 0 0 402.494 5.383 40 30 HKEBRN C=CCN1C(=O)S/C(=C/c2c(OCc3ccc(C)cc3)ccc3ccccc32)C1=O ZINC000409066958 558910000 /nfs/dbraw/zinc/91/00/00/558910000.db2.gz OFEMYWTZXSVGIJ-HZHRSRAPSA-N 0 0 415.514 5.950 40 30 HKEBRN Cc1cc(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C)n1-c1ccccc1F ZINC000409067114 558910460 /nfs/dbraw/zinc/91/04/60/558910460.db2.gz PFLFLLRTIJHRTP-OPEKNORGSA-N 0 0 420.366 5.606 40 30 HKEBRN CCOC(=O)c1c(/N=C\c2cc(C)n(-c3ccccc3C)c2C)sc2c1CCCC2 ZINC000409067506 560672499 /nfs/dbraw/zinc/67/24/99/560672499.db2.gz YLVWXWWDKSOKFJ-YSMPRRRNSA-N 0 0 420.578 6.270 40 30 HKEBRN C=CCN1C(=O)S/C(=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C1=O ZINC000409067578 558911922 /nfs/dbraw/zinc/91/19/22/558911922.db2.gz FNAFAVKCTOEKQD-VCHYOVAHSA-N 0 0 420.317 5.795 40 30 HKEBRN COC(=O)c1ccc(Cl)c(-c2ccc(/C=N\c3sc4c(c3C#N)CCCC4)o2)c1 ZINC000409067730 560672455 /nfs/dbraw/zinc/67/24/55/560672455.db2.gz ZDKFIIUONXCKHC-ROTLSHHCSA-N 0 0 424.909 5.949 40 30 HKEBRN CCCCOC(=O)c1ccc(-c2ccc(C=NN=c3[nH]c4ccccc4s3)o2)cc1 ZINC000409067735 558911872 /nfs/dbraw/zinc/91/18/72/558911872.db2.gz ZFBYWHKDJSBKKO-BUVRLJJBSA-N 0 0 419.506 5.959 40 30 HKEBRN Cc1cc(/C=C2\SC(=Nc3ccccc3)NC2=O)c(C)n1-c1ccccc1Cl ZINC000409067739 560672562 /nfs/dbraw/zinc/67/25/62/560672562.db2.gz ZFYUYBRGRYGZDP-MOSHPQCFSA-N 0 0 407.926 5.639 40 30 HKEBRN CCOC(=O)c1c(/N=C/c2c(OC)ccc3ccc(OC)cc32)sc2c1CCCC2 ZINC000409067829 558912126 /nfs/dbraw/zinc/91/21/26/558912126.db2.gz ZSRKDMHIYYWPAS-AFUMVMLFSA-N 0 0 423.534 5.725 40 30 HKEBRN C#CCOc1ccc(Cl)cc1/C=C1\SC(=O)N(c2ccccc2Cl)C1=O ZINC000409068281 558913170 /nfs/dbraw/zinc/91/31/70/558913170.db2.gz LCDCIWJUMIGFRU-BOPFTXTBSA-N 0 0 404.274 5.246 40 30 HKEBRN Cc1ccc(-n2cccc2CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1C ZINC000409068383 558913375 /nfs/dbraw/zinc/91/33/75/558913375.db2.gz IOBXIGJTKCAXLF-WYMPLXKRSA-N 0 0 402.376 5.467 40 30 HKEBRN C=CCN1C(=O)S/C(=C/c2cc(C)n(-c3sc4c(c3C#N)CCCC4)c2C)C1=O ZINC000409068411 558913631 /nfs/dbraw/zinc/91/36/31/558913631.db2.gz GEGSHDPCPZPTIK-YBFXNURJSA-N 0 0 423.563 5.128 40 30 HKEBRN C=CCOc1c(CC=C)cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1OCC ZINC000409068462 560672580 /nfs/dbraw/zinc/67/25/80/560672580.db2.gz RNSCXLLPTXIBIZ-CJLVFECKSA-N 0 0 402.494 5.185 40 30 HKEBRN C=CCN1C(=O)S/C(=C/c2ccccc2OCc2ccc3ccccc3c2)C1=O ZINC000409068490 560672647 /nfs/dbraw/zinc/67/26/47/560672647.db2.gz RQRULYSBXIAAJH-PXLXIMEGSA-N 0 0 401.487 5.641 40 30 HKEBRN FC(F)(F)c1ccc(N=NCc2ccccc2OCc2ccc3ccccc3c2)nc1 ZINC000409068585 558913612 /nfs/dbraw/zinc/91/36/12/558913612.db2.gz TYPFHWCXCZWEQD-IPPBACCNSA-N 0 0 421.422 6.279 40 30 HKEBRN O=C1CCCC2=C1C(c1cccc(OCc3ccc(F)cc3)c1)C1=C(CCCC1=O)O2 ZINC000409068670 558913650 /nfs/dbraw/zinc/91/36/50/558913650.db2.gz SLOTWCRKEKDOFP-UHFFFAOYSA-N 0 0 418.464 5.533 40 30 HKEBRN FC(F)(F)c1ccc(N=NCc2ccccc2OCc2ccccc2Cl)nc1 ZINC000409068814 558913833 /nfs/dbraw/zinc/91/38/33/558913833.db2.gz ISEYFYFJHMLDES-KBKYJPHKSA-N 0 0 405.807 5.779 40 30 HKEBRN O=[N+]([O-])c1ccc(Sc2ccc(/N=C/c3ccc(Cl)c([N+](=O)[O-])c3)cc2)cc1 ZINC000409068968 560672667 /nfs/dbraw/zinc/67/26/67/560672667.db2.gz VAHYSUGNKSZLHE-CIAFOILYSA-N 0 0 413.842 6.058 40 30 HKEBRN O=[N+]([O-])c1cccnc1N=NCc1ccccc1OCc1ccc(Cl)cc1Cl ZINC000409068972 558908343 /nfs/dbraw/zinc/90/83/43/558908343.db2.gz TWAHSPIOXGXWTG-FOKLQQMPSA-N 0 0 417.252 5.322 40 30 HKEBRN C=CCc1cc(/C=N/c2ccc([N+](=O)[O-])cc2)cc(OCC)c1OCc1ccccc1 ZINC000409069003 558908591 /nfs/dbraw/zinc/90/85/91/558908591.db2.gz VFSUTDPHIFKJRD-YZSQISJMSA-N 0 0 416.477 6.052 40 30 HKEBRN Cc1cccc(Cn2cc(CN=Nc3ccc(C(F)(F)F)cn3)c3ccccc32)c1 ZINC000409069415 560673050 /nfs/dbraw/zinc/67/30/50/560673050.db2.gz KTDXEKXQDSSLCB-KVSWJAHQSA-N 0 0 408.427 5.858 40 30 HKEBRN C=CCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)C1=O ZINC000409069578 558916676 /nfs/dbraw/zinc/91/66/76/558916676.db2.gz LPSHCQWTIXEHBP-RQZCQDPDSA-N 0 0 407.322 5.623 40 30 HKEBRN C=CCc1cc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc(OC)c1OCCC ZINC000409069608 558916644 /nfs/dbraw/zinc/91/66/44/558916644.db2.gz WICUDKYYPHDJED-UHFFFAOYSA-N 0 0 422.521 5.341 40 30 HKEBRN O=[N+]([O-])c1cccnc1N=NCc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 ZINC000409069919 558913942 /nfs/dbraw/zinc/91/39/42/558913942.db2.gz YOJNAWKRGKQLOG-FOKLQQMPSA-N 0 0 417.252 5.322 40 30 HKEBRN C=CCc1cc(/C=N/c2ccc([N+](=O)[O-])cc2)cc(OC)c1OCc1ccc(F)cc1 ZINC000409069996 558913963 /nfs/dbraw/zinc/91/39/63/558913963.db2.gz ZCPWTLLTQHHWAT-CVKSISIWSA-N 0 0 420.440 5.801 40 30 HKEBRN COc1cc(CN=Nc2ccc(C(F)(F)F)cn2)ccc1OCc1cccc(F)c1 ZINC000409070542 560673171 /nfs/dbraw/zinc/67/31/71/560673171.db2.gz CBGULNHXDQATEO-LUOAPIJWSA-N 0 0 419.378 5.273 40 30 HKEBRN O=C1ON=C(c2ccccc2)/C1=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1 ZINC000409070561 558914055 /nfs/dbraw/zinc/91/40/55/558914055.db2.gz ZORQOVHUOHWCLP-NDENLUEZSA-N 0 0 424.283 5.917 40 30 HKEBRN Cc1cc(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C)n1-c1ccc(C)cc1 ZINC000409070582 560673240 /nfs/dbraw/zinc/67/32/40/560673240.db2.gz ZULUWRDQPPIYFQ-ROTLSHHCSA-N 0 0 416.403 5.776 40 30 HKEBRN C=CCc1cc(/C=N/c2ccc([N+](=O)[O-])cc2)cc(OC)c1OCc1ccccc1F ZINC000409070685 560673259 /nfs/dbraw/zinc/67/32/59/560673259.db2.gz DOEOKZLKASWNII-CVKSISIWSA-N 0 0 420.440 5.801 40 30 HKEBRN C=CCN1C(=O)S/C(=C/c2ccc(OCc3cccc4ccccc43)cc2)C1=O ZINC000409070850 558914165 /nfs/dbraw/zinc/91/41/65/558914165.db2.gz MGBAGYCZEPAVMV-PXLXIMEGSA-N 0 0 401.487 5.641 40 30 HKEBRN CCn1c(C)cc(/C=C2\SC(=Nc3ccccc3)N(Cc3cccnc3)C2=O)c1C ZINC000409070953 558914070 /nfs/dbraw/zinc/91/40/70/558914070.db2.gz MMGOQLAILVGDEN-WJEPFGLZSA-N 0 0 416.550 5.324 40 30 HKEBRN CC(C)Oc1ccc(CN=Nc2ccc(C(F)(F)F)cn2)cc1Br ZINC000409071214 560673294 /nfs/dbraw/zinc/67/32/94/560673294.db2.gz PYYKDGTURXRWSY-GZIVZEMBSA-N 0 0 402.214 5.096 40 30 HKEBRN C=CCc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(OCC)c1OCCC ZINC000409071524 558914127 /nfs/dbraw/zinc/91/41/27/558914127.db2.gz GSCULLPAKDGPQS-CJLVFECKSA-N 0 0 404.510 5.409 40 30 HKEBRN C=CCc1cc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc(OCC)c1OCC ZINC000409071844 560673375 /nfs/dbraw/zinc/67/33/75/560673375.db2.gz LSRHNVIEJQAEDO-UHFFFAOYSA-N 0 0 422.521 5.341 40 30 HKEBRN CC(C)Oc1ccc(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1Cl ZINC000409071857 558914079 /nfs/dbraw/zinc/91/40/79/558914079.db2.gz LUPOPHXUEKAKFS-LSFURLLWSA-N 0 0 401.772 5.500 40 30 HKEBRN Cc1cc(/N=C/c2ccc(Sc3ccc(Cl)cc3)cc2)ccc1Br ZINC000409072051 560673393 /nfs/dbraw/zinc/67/33/93/560673393.db2.gz ULXVRYMDVSRXAB-YDZHTSKRSA-N 0 0 416.771 7.313 40 30 HKEBRN C=CCc1cc(/C=N/c2ccc([N+](=O)[O-])cc2)cc(OC)c1OCc1ccccc1 ZINC000409072167 560673409 /nfs/dbraw/zinc/67/34/09/560673409.db2.gz MDJLKOOBZPLLNG-PCLIKHOPSA-N 0 0 402.450 5.662 40 30 HKEBRN C=CCN1C(=O)S/C(=C/c2ccc(OCc3ccc4ccccc4c3)cc2)C1=O ZINC000409072184 558914143 /nfs/dbraw/zinc/91/41/43/558914143.db2.gz MHPRXMDGPLZEDG-PXLXIMEGSA-N 0 0 401.487 5.641 40 30 HKEBRN FC(F)(F)c1ccc(N=NCc2ccccc2OCc2ccc(Cl)cc2)nc1 ZINC000409072616 560673430 /nfs/dbraw/zinc/67/34/30/560673430.db2.gz TZQMYPIQTAOBKI-KBKYJPHKSA-N 0 0 405.807 5.779 40 30 HKEBRN Cc1cc(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C)n1-c1ccc(C)cn1 ZINC000409072624 560673461 /nfs/dbraw/zinc/67/34/61/560673461.db2.gz JXYQGLIDHQYEMN-OPEKNORGSA-N 0 0 417.391 5.171 40 30 HKEBRN C=CCN1C(=O)S/C(=C/c2cn(Cc3ccc4ccccc4c3)c3ccccc23)C1=O ZINC000409073051 560673622 /nfs/dbraw/zinc/67/36/22/560673622.db2.gz URKNFDSIECSLNK-BUVRLJJBSA-N 0 0 424.525 6.065 40 30 HKEBRN COc1cc(CN=Nc2ccc(C(F)(F)F)cn2)ccc1OCc1ccc(C)cc1 ZINC000409073085 558915177 /nfs/dbraw/zinc/91/51/77/558915177.db2.gz UVNBMTKOWPCOBU-KKMKTNMSSA-N 0 0 415.415 5.442 40 30 HKEBRN C=CCN1C(=O)S/C(=C/c2ccc(OCc3ccc(C)cc3)c(OCC)c2)C1=O ZINC000409073229 558915096 /nfs/dbraw/zinc/91/50/96/558915096.db2.gz GFGHARBAIBPKPQ-KGENOOAVSA-N 0 0 409.507 5.195 40 30 HKEBRN Cc1cccc(-n2cccc2CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1C ZINC000409073545 558915158 /nfs/dbraw/zinc/91/51/58/558915158.db2.gz VUOMLIGNMLPDJM-WYMPLXKRSA-N 0 0 402.376 5.467 40 30 HKEBRN Cc1cc(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C)n1-c1cc(C)ccn1 ZINC000409073570 558915166 /nfs/dbraw/zinc/91/51/66/558915166.db2.gz QGWVVICGAUKYDI-OPEKNORGSA-N 0 0 417.391 5.171 40 30 HKEBRN O=[N+]([O-])c1ccc(Sc2ccc(/N=C/c3ccc(N4CCCC4)c(F)c3)cc2)cc1 ZINC000409073770 560673707 /nfs/dbraw/zinc/67/37/07/560673707.db2.gz IJRCMWWEKDBBBD-PCLIKHOPSA-N 0 0 421.497 6.236 40 30 HKEBRN O=C(C=CNc1ccc(Br)cc1Br)c1ccc(Cl)cc1 ZINC000409073933 558915077 /nfs/dbraw/zinc/91/50/77/558915077.db2.gz UUIPCSVUTPDNJI-BQYQJAHWSA-N 0 0 415.512 5.674 40 30 HKEBRN C=CCN1C(=O)S/C(=C/c2cn(Cc3cccc4ccccc43)c3ccccc23)C1=O ZINC000409074069 558915103 /nfs/dbraw/zinc/91/51/03/558915103.db2.gz XQIIVYAITHBANR-BUVRLJJBSA-N 0 0 424.525 6.065 40 30 HKEBRN COc1cc(CN=Nc2ccc(C(F)(F)F)cn2)ccc1OCc1ccccc1F ZINC000409074092 560673670 /nfs/dbraw/zinc/67/36/70/560673670.db2.gz XULKUTNZCQFAAE-LUOAPIJWSA-N 0 0 419.378 5.273 40 30 HKEBRN C=CCc1cc(/C=C2/SC(=O)N(CC=C)C2=O)cc(OC)c1OCc1ccccc1 ZINC000409074424 558915126 /nfs/dbraw/zinc/91/51/26/558915126.db2.gz LOMBVLXROFUQKN-RCCKNPSSSA-N 0 0 421.518 5.225 40 30 HKEBRN O=C1CCCC2=C1C(c1cccc(OCc3ccccc3)c1)C1=C(CCCC1=O)O2 ZINC000409074465 558915092 /nfs/dbraw/zinc/91/50/92/558915092.db2.gz LXGWVVGEYPQKFM-UHFFFAOYSA-N 0 0 400.474 5.394 40 30 HKEBRN Cc1cccc(COc2ccc(C=NN3C(=S)N=NC3c3ccccc3)cc2)c1 ZINC000409074573 558915282 /nfs/dbraw/zinc/91/52/82/558915282.db2.gz VMTUPKMARVWLGP-BUVRLJJBSA-N 0 0 400.507 5.003 40 30 HKEBRN S=C1N=NC(c2ccccc2)N1N=Cc1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000409074592 558915377 /nfs/dbraw/zinc/91/53/77/558915377.db2.gz VQIAPSQNLJFFIE-ZVHZXABRSA-N 0 0 420.925 5.348 40 30 HKEBRN Clc1ccc(Sc2ccc(/C=N/c3cccc(Br)c3)cc2)cc1 ZINC000409074604 560672828 /nfs/dbraw/zinc/67/28/28/560672828.db2.gz UCKRVESTSLOIFQ-LPYMAVHISA-N 0 0 402.744 7.004 40 30 HKEBRN Cc1csc(N=NCc2ccc(OC(=O)c3ccc(Cl)c(Cl)c3)cc2)n1 ZINC000409074668 560672837 /nfs/dbraw/zinc/67/28/37/560672837.db2.gz WLWKXFVDEJRKKA-ZVBGSRNCSA-N 0 0 406.294 5.424 40 30 HKEBRN CC/N=C1\S/C(=C\c2ccc(Sc3ccc(Cl)cc3)cc2)C(=O)N1CC ZINC000409075131 560672839 /nfs/dbraw/zinc/67/28/39/560672839.db2.gz UWZNHALINUVDKD-GTFONSFASA-N 0 0 402.972 5.803 40 30 HKEBRN N#Cc1c(/N=C\c2cccc(Oc3nc(Cl)ncc3F)c2)sc2c1CCCC2 ZINC000409075727 558915738 /nfs/dbraw/zinc/91/57/38/558915738.db2.gz ZQTIMTVQXLFKHY-VROXFSQNSA-N 0 0 412.877 5.624 40 30 HKEBRN Fc1ccc(Cn2cc(CN=Nc3ccc(C(F)(F)F)cn3)c3ccccc32)cc1 ZINC000409075756 558915866 /nfs/dbraw/zinc/91/58/66/558915866.db2.gz XQWZWQTZJHHQGB-IPBVOBEMSA-N 0 0 412.390 5.689 40 30 HKEBRN C=CCN1C(=O)S/C(=C/c2ccccc2OCc2ccc(Cl)cc2Cl)C1=O ZINC000409075826 558915723 /nfs/dbraw/zinc/91/57/23/558915723.db2.gz YHPIJVKWNIIWFF-VCHYOVAHSA-N 0 0 420.317 5.795 40 30 HKEBRN C=CCN1C(=O)S/C(=C/c2c(C)n(Cc3ccccc3F)c3ccccc23)C1=O ZINC000409075841 558915863 /nfs/dbraw/zinc/91/58/63/558915863.db2.gz YLTRAFSDNUILFF-FYJGNVAPSA-N 0 0 406.482 5.359 40 30 HKEBRN Cc1ccc(-n2cccc2CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C)c1 ZINC000409075876 558915756 /nfs/dbraw/zinc/91/57/56/558915756.db2.gz UXZAFUPXDNRTBF-WYMPLXKRSA-N 0 0 402.376 5.467 40 30 HKEBRN Cc1cc(/N=C\c2ccc(N3CCCC3)c(F)c2)ccc1I ZINC000409075947 560672991 /nfs/dbraw/zinc/67/29/91/560672991.db2.gz ZEZIYMANMYVCDE-MTJSOVHGSA-N 0 0 408.258 5.090 40 30 HKEBRN CC[C@H](C)Oc1ccc(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1Cl ZINC000409075949 560672953 /nfs/dbraw/zinc/67/29/53/560672953.db2.gz ZFLFACFPQRJSEX-MOSLJXCSSA-N 0 0 415.799 5.890 40 30 HKEBRN CC[C@@H](C)Oc1ccc(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1Cl ZINC000409075950 558915744 /nfs/dbraw/zinc/91/57/44/558915744.db2.gz ZFLFACFPQRJSEX-QQUGTJAQSA-N 0 0 415.799 5.890 40 30 HKEBRN Cc1c(CN=Nc2ncccc2[N+](=O)[O-])c2ccccc2n1Cc1ccc(Cl)cc1 ZINC000409076209 558915289 /nfs/dbraw/zinc/91/52/89/558915289.db2.gz ZPVMGUICRLHYGF-DHRITJCHSA-N 0 0 419.872 5.401 40 30 HKEBRN CCCN1C(=O)/C(=C/c2cccc3ccccc23)S/C1=N/c1ccc(Cl)cc1 ZINC000409076260 560672986 /nfs/dbraw/zinc/67/29/86/560672986.db2.gz ACYDYLXKSPMHEX-VLYZUMCXSA-N 0 0 406.938 6.507 40 30 HKEBRN O=C1ON=C(c2ccccc2)/C1=C/c1c(OCc2cccc(F)c2)ccc2ccccc21 ZINC000409076450 558918892 /nfs/dbraw/zinc/91/88/92/558918892.db2.gz AJQYAHBGHTZZIK-JLPGSUDCSA-N 0 0 423.443 5.902 40 30 HKEBRN C#CCOc1ccc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1OCC ZINC000409076693 558919126 /nfs/dbraw/zinc/91/91/26/558919126.db2.gz BUXVYYKIKBYFCC-AXNZHVIBSA-N 0 0 420.578 5.932 40 30 HKEBRN C#CCOc1ccc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1OCC ZINC000409076694 558919208 /nfs/dbraw/zinc/91/92/08/558919208.db2.gz BUXVYYKIKBYFCC-NLTKLDOMSA-N 0 0 420.578 5.932 40 30 HKEBRN C=CCc1cc(/C=C2\C(=O)ON=C2C)cc(OCC)c1OCc1cccc(Cl)c1 ZINC000409076776 558919465 /nfs/dbraw/zinc/91/94/65/558919465.db2.gz CFMSHOXKGVWGEU-NDENLUEZSA-N 0 0 411.885 5.362 40 30 HKEBRN COC(=O)c1ccc(C)c(/N=C/c2cc(C34CC5CC(CC(C5)C3)C4)ccc2O)c1 ZINC000409076970 560673040 /nfs/dbraw/zinc/67/30/40/560673040.db2.gz CTTDZDBWZAENBO-JFLMPSFJSA-N 0 0 403.522 5.706 40 30 HKEBRN C=CCc1cc(/C=N/O)cc(OCC)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409077011 558919985 /nfs/dbraw/zinc/91/99/85/558919985.db2.gz CJSIPYJVJYRPLW-FOKLQQMPSA-N 0 0 410.348 5.341 40 30 HKEBRN CCOC(=O)c1c(/N=C/c2ccc(Sc3ccccc3)o2)sc2c1CCCC2 ZINC000409077177 558920118 /nfs/dbraw/zinc/92/01/18/558920118.db2.gz CSHLPFRPBVLEKH-OEAKJJBVSA-N 0 0 411.548 6.298 40 30 HKEBRN Cc1ccc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1Br ZINC000409077236 560673033 /nfs/dbraw/zinc/67/30/33/560673033.db2.gz CZCCRTUFCBVAOR-ZIFAQYRBSA-N 0 0 415.400 6.592 40 30 HKEBRN Cc1ccc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1Br ZINC000409077242 560673051 /nfs/dbraw/zinc/67/30/51/560673051.db2.gz CZCCRTUFCBVAOR-ZWGXDWAISA-N 0 0 415.400 6.592 40 30 HKEBRN COc1cccc(C=NNc2ccc([N+](=O)[O-])cc2)c1OCc1ccc(Cl)cc1 ZINC000409077269 560673055 /nfs/dbraw/zinc/67/30/55/560673055.db2.gz DOQBHOMNWDIYPG-QRVIBDJDSA-N 0 0 411.845 5.282 40 30 HKEBRN COc1ccc([N+](=O)[O-])cc1/N=C\c1cc(C23CC4CC(CC(C4)C2)C3)ccc1O ZINC000409077368 558920563 /nfs/dbraw/zinc/92/05/63/558920563.db2.gz DWDAHQXOPGMXBF-QFEZKATASA-N 0 0 406.482 5.527 40 30 HKEBRN COc1cc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)ccc1OCC#N ZINC000409077517 558921118 /nfs/dbraw/zinc/92/11/18/558921118.db2.gz FCNLHAGXTYFTAP-HEOQCTJZSA-N 0 0 407.539 5.432 40 30 HKEBRN COc1cc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)ccc1OCC#N ZINC000409077520 558921102 /nfs/dbraw/zinc/92/11/02/558921102.db2.gz FCNLHAGXTYFTAP-JOBSNELWSA-N 0 0 407.539 5.432 40 30 HKEBRN C=CCN1C(=O)S/C(=C\c2cc(C)n(-c3ccc(Br)cc3)c2C)C1=O ZINC000409077639 558916686 /nfs/dbraw/zinc/91/66/86/558916686.db2.gz GGOHFXJNRDTKKZ-BOPFTXTBSA-N 0 0 417.328 5.079 40 30 HKEBRN C=CCOc1ccc(Cl)cc1/C=C1\C(=O)N(c2ccccc2)N=C1c1ccccc1 ZINC000409077714 558916885 /nfs/dbraw/zinc/91/68/85/558916885.db2.gz FNMRTKHSIAIICX-XLNRJJMWSA-N 0 0 414.892 5.739 40 30 HKEBRN CC(C)Oc1ccccc1/C=N\c1sc2c(c1C(=O)NCc1ccco1)CCCC2 ZINC000409077756 560673065 /nfs/dbraw/zinc/67/30/65/560673065.db2.gz GSEAIVJZISMXRT-WGARJPEWSA-N 0 0 422.550 5.688 40 30 HKEBRN CCCN1C(=O)/C(=C/c2ccc(OC)c(Cl)c2)S/C1=N/c1ccc(Cl)cc1 ZINC000409077782 558917123 /nfs/dbraw/zinc/91/71/23/558917123.db2.gz GEEBCBYPJMEYHA-TXFBGOCOSA-N 0 0 421.349 6.016 40 30 HKEBRN C=CCOc1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1Cl ZINC000409077785 558917111 /nfs/dbraw/zinc/91/71/11/558917111.db2.gz GUJCHZFHELSZBD-PGMHBOJBSA-N 0 0 414.892 5.739 40 30 HKEBRN COc1ccccc1/C=C1\S/C(=N/c2ccc(Cl)cc2)N(CC(C)C)C1=O ZINC000409077834 558917135 /nfs/dbraw/zinc/91/71/35/558917135.db2.gz FZXKCVQCWRYAOW-RSXNERHXSA-N 0 0 400.931 5.609 40 30 HKEBRN COC(=O)c1ccc(/N=C/c2cc(C34CC5CC(CC(C5)C3)C4)ccc2O)c(C)c1 ZINC000409077855 558917173 /nfs/dbraw/zinc/91/71/73/558917173.db2.gz AKTTXLXSQGNVST-JFLMPSFJSA-N 0 0 403.522 5.706 40 30 HKEBRN CC1=NOC(=O)/C1=C\c1cc(Cl)cc(Cl)c1OCc1cccc2ccccc21 ZINC000409077886 560674217 /nfs/dbraw/zinc/67/42/17/560674217.db2.gz AZHMSTNGEJLZPT-GRSHGNNSSA-N 0 0 412.272 6.042 40 30 HKEBRN CCOc1ccc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1Cl ZINC000409077988 558917777 /nfs/dbraw/zinc/91/77/77/558917777.db2.gz GFXYRYIQBWUACV-SQAVSUBZSA-N 0 0 400.975 6.573 40 30 HKEBRN CCOc1ccc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1Cl ZINC000409077991 558917793 /nfs/dbraw/zinc/91/77/93/558917793.db2.gz GFXYRYIQBWUACV-VSRRSJTHSA-N 0 0 400.975 6.573 40 30 HKEBRN C=CCc1cc(/C=N/c2ccc([N+](=O)[O-])cc2)cc(OC)c1OCc1cccc(F)c1 ZINC000409077997 558917745 /nfs/dbraw/zinc/91/77/45/558917745.db2.gz HCIOPHFCSGOLIE-CVKSISIWSA-N 0 0 420.440 5.801 40 30 HKEBRN CCCN1C(=O)/C(=C/c2ccc(OC)c(OC)c2)S/C1=N/c1ccc(Cl)cc1 ZINC000409078037 558917720 /nfs/dbraw/zinc/91/77/20/558917720.db2.gz HDLMEPQTMWAILH-XMFNYGHISA-N 0 0 416.930 5.371 40 30 HKEBRN CCCN1C(=O)/C(=C/c2ccccc2OCC)S/C1=N/c1ccc(Cl)cc1 ZINC000409078041 558917771 /nfs/dbraw/zinc/91/77/71/558917771.db2.gz HETDACWUHPDNLX-QUUARBKMSA-N 0 0 400.931 5.753 40 30 HKEBRN O=C1ON=C(c2ccccc2)/C1=C/c1ccc(OCc2cccc3ccccc32)cc1 ZINC000409078099 558917824 /nfs/dbraw/zinc/91/78/24/558917824.db2.gz GOVRXBPHPAOLJD-UQQQWYQISA-N 0 0 405.453 5.763 40 30 HKEBRN O=C1ON=C(c2ccccc2)/C1=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1 ZINC000409078111 558917699 /nfs/dbraw/zinc/91/76/99/558917699.db2.gz GQZXFSUXXQPMSI-MOSHPQCFSA-N 0 0 424.283 5.917 40 30 HKEBRN C=CCc1cc(/C=C2\C(=O)ON=C2C)cc(OC)c1OCc1cccc2ccccc21 ZINC000409078163 558917934 /nfs/dbraw/zinc/91/79/34/558917934.db2.gz HEFIMTLMJHIXPW-UCQKPKSFSA-N 0 0 413.473 5.472 40 30 HKEBRN COc1cc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc(Cl)c1OC ZINC000409078190 558918281 /nfs/dbraw/zinc/91/82/81/558918281.db2.gz HHRFKOGHHTXXDO-DSKMXOTJSA-N 0 0 416.974 6.192 40 30 HKEBRN COc1cc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc(Cl)c1OC ZINC000409078193 560674221 /nfs/dbraw/zinc/67/42/21/560674221.db2.gz HHRFKOGHHTXXDO-KWRYHKOTSA-N 0 0 416.974 6.192 40 30 HKEBRN CSc1ccc(/C=C2\S/C(=N/c3ccc(Cl)cc3)N(CC(C)C)C2=O)cc1 ZINC000409078274 560674271 /nfs/dbraw/zinc/67/42/71/560674271.db2.gz HFNKHPFJCZJLFB-RSXNERHXSA-N 0 0 416.999 6.322 40 30 HKEBRN CCCN1C(=O)/C(=C/c2ccccc2OCC#N)S/C1=N/c1ccc(Cl)cc1 ZINC000409078325 560674373 /nfs/dbraw/zinc/67/43/73/560674373.db2.gz HYIOILHFNCQFTM-LPBHKJSRSA-N 0 0 411.914 5.256 40 30 HKEBRN Oc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=N/c1ccc(Nc2ccccc2)cc1 ZINC000409078424 558920196 /nfs/dbraw/zinc/92/01/96/558920196.db2.gz CSSHNMLVELKBHT-NDZAJKAJSA-N 0 0 422.572 7.354 40 30 HKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(/N=C/c3c4ccccc4cc4ccccc43)sc2C1 ZINC000409078477 558924155 /nfs/dbraw/zinc/92/41/55/558924155.db2.gz HYPSBGBRACEEKE-SAOCZUBPSA-N 0 0 422.597 7.828 40 30 HKEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(/N=C/c3c4ccccc4cc4ccccc43)sc2C1 ZINC000409078480 558924133 /nfs/dbraw/zinc/92/41/33/558924133.db2.gz HYPSBGBRACEEKE-SOTNGODCSA-N 0 0 422.597 7.828 40 30 HKEBRN Cc1ccc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CC[C@@H](C(C)(C)C)C3)o1 ZINC000409078578 558924515 /nfs/dbraw/zinc/92/45/15/558924515.db2.gz ISKCJGIVZKDJFA-LNIIIOKPSA-N 0 0 420.578 6.803 40 30 HKEBRN Cc1ccc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CC[C@H](C(C)(C)C)C3)o1 ZINC000409078581 558924531 /nfs/dbraw/zinc/92/45/31/558924531.db2.gz ISKCJGIVZKDJFA-QVMKDISWSA-N 0 0 420.578 6.803 40 30 HKEBRN CCCN1C(=O)/C(=C/c2ccc(OC)c(O)c2)S/C1=N/c1ccc(Cl)cc1 ZINC000409078699 560674362 /nfs/dbraw/zinc/67/43/62/560674362.db2.gz HWWMWWQVTXICHS-CFDZAGTRSA-N 0 0 402.903 5.068 40 30 HKEBRN COc1cc(/C=C2\C(=O)ON=C2c2ccccc2)ccc1OCc1cccc(Cl)c1 ZINC000409078880 558922241 /nfs/dbraw/zinc/92/22/41/558922241.db2.gz DMJJTZZLAZVRMY-MOSHPQCFSA-N 0 0 419.864 5.272 40 30 HKEBRN CCCN1C(=O)/C(=C/c2cc(OC)ccc2OC)S/C1=N/c1ccc(Cl)cc1 ZINC000409078938 560674360 /nfs/dbraw/zinc/67/43/60/560674360.db2.gz JIBMXBMVMUCHOG-XMFNYGHISA-N 0 0 416.930 5.371 40 30 HKEBRN CC(C)(C)[C@H]1CCc2c(sc(/N=C\c3ccncc3)c2C(=O)Nc2ccccc2)C1 ZINC000409078963 558922668 /nfs/dbraw/zinc/92/26/68/558922668.db2.gz JQMFLBLYZMOEGG-GEGDGZKASA-N 0 0 417.578 6.297 40 30 HKEBRN CC(C)(C)[C@@H]1CCc2c(sc(/N=C\c3ccncc3)c2C(=O)Nc2ccccc2)C1 ZINC000409078964 558922542 /nfs/dbraw/zinc/92/25/42/558922542.db2.gz JQMFLBLYZMOEGG-ZQZJVFIWSA-N 0 0 417.578 6.297 40 30 HKEBRN COc1ccc(/C=C2\S/C(=N/c3ccc(Cl)cc3)N(CC(C)C)C2=O)cc1O ZINC000409078989 560674391 /nfs/dbraw/zinc/67/43/91/560674391.db2.gz JZFPXPMWPQAOBM-HUIWRNEVSA-N 0 0 416.930 5.314 40 30 HKEBRN Cc1ccc(COc2ccc(Cl)cc2/C=C2\C(=O)ON=C2c2ccccc2)cc1 ZINC000409079321 560674406 /nfs/dbraw/zinc/67/44/06/560674406.db2.gz JITONEKHGVXKMK-STZFKDTASA-N 0 0 403.865 5.572 40 30 HKEBRN Cc1cc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c(C)n1-c1ccccc1 ZINC000409079403 558924062 /nfs/dbraw/zinc/92/40/62/558924062.db2.gz JRPGRHHXIGAKKB-HXLYRSSUSA-N 0 0 415.606 6.929 40 30 HKEBRN Cc1cc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c(C)n1-c1ccccc1 ZINC000409079405 558924153 /nfs/dbraw/zinc/92/41/53/558924153.db2.gz JRPGRHHXIGAKKB-MEAKTTDOSA-N 0 0 415.606 6.929 40 30 HKEBRN C=CCN1C(=O)S/C(=C\c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)C1=O ZINC000409079496 560674399 /nfs/dbraw/zinc/67/43/99/560674399.db2.gz KNDUBXRZHRTANY-MFOYZWKCSA-N 0 0 407.322 5.623 40 30 HKEBRN CCOc1cc(/C=C2\C(=O)ON=C2c2ccccc2)ccc1OCc1ccc(C)cc1 ZINC000409079541 560674347 /nfs/dbraw/zinc/67/43/47/560674347.db2.gz KUYQRAWZCDZYEC-JCMHNJIXSA-N 0 0 413.473 5.317 40 30 HKEBRN CCCN1C(=O)/C(=C/c2ccc(O)c(OC)c2)S/C1=N/c1ccc(Cl)cc1 ZINC000409079571 560674459 /nfs/dbraw/zinc/67/44/59/560674459.db2.gz KZSSEZAVMLTUJK-CFDZAGTRSA-N 0 0 402.903 5.068 40 30 HKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(/N=C/c3cc4c(cc3Cl)OCO4)sc2C1 ZINC000409079681 558926441 /nfs/dbraw/zinc/92/64/41/558926441.db2.gz KXZKWENODSDDDF-OKYTWDAHSA-N 0 0 400.931 5.903 40 30 HKEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(/N=C/c3cc4c(cc3Cl)OCO4)sc2C1 ZINC000409079684 558926422 /nfs/dbraw/zinc/92/64/22/558926422.db2.gz KXZKWENODSDDDF-VRVUXBDFSA-N 0 0 400.931 5.903 40 30 HKEBRN Cc1oc(/N=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)c(C#N)c1C ZINC000409079738 558926410 /nfs/dbraw/zinc/92/64/10/558926410.db2.gz LDKLLPNAIBXMSG-SSDVNMTOSA-N 0 0 406.354 5.127 40 30 HKEBRN COc1ccc(/C=C2\S/C(=N/c3ccc(Cl)cc3)N(CC(C)C)C2=O)cc1C ZINC000409079775 558926603 /nfs/dbraw/zinc/92/66/03/558926603.db2.gz LMHOBWJIWVMDCN-AGSDWXNQSA-N 0 0 414.958 5.917 40 30 HKEBRN CCOc1ccccc1/C=C1\S/C(=N/c2ccc(Cl)cc2)N(CC(C)C)C1=O ZINC000409080038 560673784 /nfs/dbraw/zinc/67/37/84/560673784.db2.gz KTNOSBTYGFFJOB-HTEZIOAISA-N 0 0 414.958 5.999 40 30 HKEBRN O=C1ON=C(c2ccccc2)/C1=C/c1c(OCc2ccc(F)cc2)ccc2ccccc21 ZINC000409080197 558927821 /nfs/dbraw/zinc/92/78/21/558927821.db2.gz MQFWBFBGZSCAAU-JLPGSUDCSA-N 0 0 423.443 5.902 40 30 HKEBRN O=C1ON=C(c2ccccc2)/C1=C/c1cc(Cl)ccc1OCc1ccc(F)cc1 ZINC000409080333 560673797 /nfs/dbraw/zinc/67/37/97/560673797.db2.gz NCKUGXTXINEUNK-MOSHPQCFSA-N 0 0 407.828 5.403 40 30 HKEBRN CCCCOc1ccccc1C1C2=C(CC(C)(C)CC2=O)OC2=C1C(=O)CC(C)(C)C2 ZINC000409080440 558927974 /nfs/dbraw/zinc/92/79/74/558927974.db2.gz NSURZESHGZXOMI-UHFFFAOYSA-N 0 0 422.565 6.266 40 30 HKEBRN O=C1ON=C(c2ccccc2)/C1=C/c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1 ZINC000409080465 558927922 /nfs/dbraw/zinc/92/79/22/558927922.db2.gz IBFQWRHHBSHYEE-UNOMPAQXSA-N 0 0 424.283 5.917 40 30 HKEBRN CCCN1C(=O)/C(=C/c2ccc(C(=O)OC)cc2)S/C1=N/c1ccc(Cl)cc1 ZINC000409080473 558928003 /nfs/dbraw/zinc/92/80/03/558928003.db2.gz ICIHSPZTXFCXIM-ZIARRYFKSA-N 0 0 414.914 5.141 40 30 HKEBRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N=NCc1ccc(Sc2ccccc2)o1 ZINC000409080476 558927930 /nfs/dbraw/zinc/92/79/30/558927930.db2.gz DPHHDAQRNVGFHY-JJFYIABZSA-N 0 0 407.373 5.804 40 30 HKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(/N=C/c3cc4c(cc3[N+](=O)[O-])OCO4)sc2C1 ZINC000409080491 560673791 /nfs/dbraw/zinc/67/37/91/560673791.db2.gz DUQSGYFEBAQQKR-FBRGJASNSA-N 0 0 411.483 5.158 40 30 HKEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(/N=C/c3cc4c(cc3[N+](=O)[O-])OCO4)sc2C1 ZINC000409080493 558928008 /nfs/dbraw/zinc/92/80/08/558928008.db2.gz DUQSGYFEBAQQKR-YCYNJWQJSA-N 0 0 411.483 5.158 40 30 HKEBRN Oc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=N\c1cccc(Cl)c1Cl ZINC000409080626 558927985 /nfs/dbraw/zinc/92/79/85/558927985.db2.gz LZKRJUNDPPDKLI-ZMFRSBBQSA-N 0 0 400.349 6.917 40 30 HKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(/N=C/c3ccc(Br)cc3)sc2C1 ZINC000409080642 560673815 /nfs/dbraw/zinc/67/38/15/560673815.db2.gz IWJZPYLSXGYFMM-CHOFVFFHSA-N 0 0 401.373 6.284 40 30 HKEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(/N=C/c3ccc(Br)cc3)sc2C1 ZINC000409080647 558924740 /nfs/dbraw/zinc/92/47/40/558924740.db2.gz IWJZPYLSXGYFMM-XMTZNVEYSA-N 0 0 401.373 6.284 40 30 HKEBRN O=C1ON=C(c2ccccc2)/C1=C/c1cc(Cl)ccc1OCc1ccc(Cl)cc1 ZINC000409080778 558925077 /nfs/dbraw/zinc/92/50/77/558925077.db2.gz MUVJSPYTHPQZBD-MOSHPQCFSA-N 0 0 424.283 5.917 40 30 HKEBRN CCCOc1cccc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)c1 ZINC000409080876 558925079 /nfs/dbraw/zinc/92/50/79/558925079.db2.gz OFJQTAWRRVYGBD-CUHSDLGESA-N 0 0 414.530 6.284 40 30 HKEBRN Cc1cc(/N=C/c2cc(C34CC5CC(CC(C5)C3)C4)ccc2O)ccc1Br ZINC000409081039 558925182 /nfs/dbraw/zinc/92/51/82/558925182.db2.gz FUGZLTSVDHICQR-VULFUBBASA-N 0 0 424.382 6.682 40 30 HKEBRN CC(C)CN1C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)S/C1=N/c1ccc(Cl)cc1 ZINC000409081299 560673852 /nfs/dbraw/zinc/67/38/52/560673852.db2.gz GZYQSFOMZDVOGY-OADBCFLWSA-N 0 0 415.902 5.508 40 30 HKEBRN O=C1ON=C(c2ccccc2)/C1=C/c1cc(Cl)ccc1OCc1ccccc1F ZINC000409081302 560673872 /nfs/dbraw/zinc/67/38/72/560673872.db2.gz KIWAKXBESADYGY-UYRXBGFRSA-N 0 0 407.828 5.403 40 30 HKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(/N=C/c3ccc(-c4ccccc4C#N)o3)sc2C1 ZINC000409081327 560673838 /nfs/dbraw/zinc/67/38/38/560673838.db2.gz PNRRBQLHBLBIEM-HVAQTUQNSA-N 0 0 413.546 6.653 40 30 HKEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(/N=C/c3ccc(-c4ccccc4C#N)o3)sc2C1 ZINC000409081332 560673868 /nfs/dbraw/zinc/67/38/68/560673868.db2.gz PNRRBQLHBLBIEM-PYWPZVNCSA-N 0 0 413.546 6.653 40 30 HKEBRN CCOc1cc(/C=N/O)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409081339 560673890 /nfs/dbraw/zinc/67/38/90/560673890.db2.gz HDJDCTAGLFMXAV-ODCIPOBUSA-N 0 0 404.728 5.266 40 30 HKEBRN CC(C)(C)[C@H]1CCc2c(sc(/N=C\c3cccnc3)c2C(=O)Nc2ccccc2)C1 ZINC000409081370 558925998 /nfs/dbraw/zinc/92/59/98/558925998.db2.gz KNHMSJFCMNRAFO-GEGDGZKASA-N 0 0 417.578 6.297 40 30 HKEBRN CC(C)(C)[C@@H]1CCc2c(sc(/N=C\c3cccnc3)c2C(=O)Nc2ccccc2)C1 ZINC000409081374 558926024 /nfs/dbraw/zinc/92/60/24/558926024.db2.gz KNHMSJFCMNRAFO-ZQZJVFIWSA-N 0 0 417.578 6.297 40 30 HKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(/N=C/c3ccc(Sc4ccccc4)o3)sc2C1 ZINC000409081799 560673888 /nfs/dbraw/zinc/67/38/88/560673888.db2.gz QIAQLWWEWZACNC-KSXCTLEASA-N 0 0 420.603 7.266 40 30 HKEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(/N=C/c3ccc(Sc4ccccc4)o3)sc2C1 ZINC000409081803 560673844 /nfs/dbraw/zinc/67/38/44/560673844.db2.gz QIAQLWWEWZACNC-WBILBPDKSA-N 0 0 420.603 7.266 40 30 HKEBRN C#CCOc1ccc(Cl)cc1/C=C1\C(=O)N(c2ccccc2)N=C1c1ccccc1 ZINC000409081823 560674006 /nfs/dbraw/zinc/67/40/06/560674006.db2.gz IBWXKYPJBHCPKY-XLNRJJMWSA-N 0 0 412.876 5.187 40 30 HKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(/N=C/c3cn(CC#N)c4ccccc34)sc2C1 ZINC000409081841 558928253 /nfs/dbraw/zinc/92/82/53/558928253.db2.gz QUCNKMOEUQWWNK-HDFIIFABSA-N 0 0 400.551 6.000 40 30 HKEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(/N=C/c3cn(CC#N)c4ccccc34)sc2C1 ZINC000409081847 560673981 /nfs/dbraw/zinc/67/39/81/560673981.db2.gz QUCNKMOEUQWWNK-MAFAOTQISA-N 0 0 400.551 6.000 40 30 HKEBRN C=CCc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(OCC)c1O ZINC000409081864 558928229 /nfs/dbraw/zinc/92/82/29/558928229.db2.gz OQCIPXKUYLWFPL-QJOMJCCJSA-N 0 0 424.500 5.354 40 30 HKEBRN C=CCOc1ccccc1/C=C1/S/C(=N\c2ccccc2)N(c2ccccc2)C1=O ZINC000409082022 560673999 /nfs/dbraw/zinc/67/39/99/560673999.db2.gz RJTUFUOKCLYAAH-LVCNHQDNSA-N 0 0 412.514 6.060 40 30 HKEBRN CCCN1C(=O)/C(=C/c2cc(C)c(OC)cc2C)S/C1=N/c1ccc(Cl)cc1 ZINC000409082063 558928185 /nfs/dbraw/zinc/92/81/85/558928185.db2.gz RLCSZWKGULKQBW-HTEZIOAISA-N 0 0 414.958 5.979 40 30 HKEBRN C=CCOc1cccc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)c1 ZINC000409082361 558928150 /nfs/dbraw/zinc/92/81/50/558928150.db2.gz SIGJRARLQHBHLJ-CUHSDLGESA-N 0 0 412.514 6.060 40 30 HKEBRN CCCN1C(=O)/C(=C/c2cccc(OC)c2OC)S/C1=N/c1ccc(Cl)cc1 ZINC000409082368 558928216 /nfs/dbraw/zinc/92/82/16/558928216.db2.gz JAYAOLJADRSBDL-ZIARRYFKSA-N 0 0 416.930 5.371 40 30 HKEBRN Cc1ccc(COc2ccc3ccccc3c2/C=C2\C(=O)ON=C2c2ccccc2)cc1 ZINC000409082371 558928169 /nfs/dbraw/zinc/92/81/69/558928169.db2.gz SENGMOGNVDJVJJ-UQQQWYQISA-N 0 0 419.480 6.072 40 30 HKEBRN COc1ccc(/C=N\c2sc3c(c2C(=O)NCc2ccco2)CCCC3)c(C)c1 ZINC000409082409 558928141 /nfs/dbraw/zinc/92/81/41/558928141.db2.gz SGCQKBLLZHUBTJ-MXAYSNPKSA-N 0 0 408.523 5.218 40 30 HKEBRN C=CCOc1ccc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1OC ZINC000409082417 558928226 /nfs/dbraw/zinc/92/82/26/558928226.db2.gz SNDVOICCPKBYRY-AEIQVQRHSA-N 0 0 408.567 6.095 40 30 HKEBRN C=CCOc1ccc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1OC ZINC000409082423 560674014 /nfs/dbraw/zinc/67/40/14/560674014.db2.gz SNDVOICCPKBYRY-CIRUFVMISA-N 0 0 408.567 6.095 40 30 HKEBRN C=CCOc1ccc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1OCC ZINC000409082501 558928242 /nfs/dbraw/zinc/92/82/42/558928242.db2.gz SSIFPDGUMYYWDV-AXNZHVIBSA-N 0 0 422.594 6.485 40 30 HKEBRN C=CCOc1ccc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1OCC ZINC000409082504 558928251 /nfs/dbraw/zinc/92/82/51/558928251.db2.gz SSIFPDGUMYYWDV-NLTKLDOMSA-N 0 0 422.594 6.485 40 30 HKEBRN Cc1ccc(/C=N\c2sc3c(c2C(=O)NCc2ccco2)CC[C@H](C(C)(C)C)C3)o1 ZINC000409082511 558928374 /nfs/dbraw/zinc/92/83/74/558928374.db2.gz STJHOCPHPXSVOS-IMVGLAPISA-N 0 0 424.566 6.074 40 30 HKEBRN Cc1ccc(/C=N\c2sc3c(c2C(=O)NCc2ccco2)CC[C@@H](C(C)(C)C)C3)o1 ZINC000409082515 560674016 /nfs/dbraw/zinc/67/40/16/560674016.db2.gz STJHOCPHPXSVOS-JAYSCUBMSA-N 0 0 424.566 6.074 40 30 HKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(/N=C/c3cc(Br)ccc3O)sc2C1 ZINC000409082583 560674012 /nfs/dbraw/zinc/67/40/12/560674012.db2.gz QGWTYGCFSUQFDC-HJQVIKLGSA-N 0 0 417.372 5.989 40 30 HKEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(/N=C/c3cc(Br)ccc3O)sc2C1 ZINC000409082588 560673995 /nfs/dbraw/zinc/67/39/95/560673995.db2.gz QGWTYGCFSUQFDC-HKNSOBRKSA-N 0 0 417.372 5.989 40 30 HKEBRN Oc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=N/c1cccc(Br)c1 ZINC000409082641 558928328 /nfs/dbraw/zinc/92/83/28/558928328.db2.gz SEMZOZXLUFKOBC-AFUMVMLFSA-N 0 0 410.355 6.373 40 30 HKEBRN O=C1ON=C(c2ccccc2)/C1=C/c1ccc(OCc2cccc(Cl)c2)c(Cl)c1 ZINC000409082675 558928378 /nfs/dbraw/zinc/92/83/78/558928378.db2.gz TVVBHSZLAWVFSQ-UNOMPAQXSA-N 0 0 424.283 5.917 40 30 HKEBRN O=C1ON=C(c2ccccc2)/C1=C/c1cc(Cl)cc(Cl)c1OCc1ccccc1 ZINC000409082792 560673973 /nfs/dbraw/zinc/67/39/73/560673973.db2.gz SUPXYHGYBCSNDR-UNOMPAQXSA-N 0 0 424.283 5.917 40 30 HKEBRN CCOc1ccc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1OCC ZINC000409082945 560674035 /nfs/dbraw/zinc/67/40/35/560674035.db2.gz KEBKFWAOTCJHFR-AEIQVQRHSA-N 0 0 410.583 6.319 40 30 HKEBRN CCOc1ccc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1OCC ZINC000409082949 560674072 /nfs/dbraw/zinc/67/40/72/560674072.db2.gz KEBKFWAOTCJHFR-CIRUFVMISA-N 0 0 410.583 6.319 40 30 HKEBRN O=C1ON=C(c2ccccc2)/C1=C/c1cc(Cl)ccc1OCc1ccccc1Cl ZINC000409083143 560674067 /nfs/dbraw/zinc/67/40/67/560674067.db2.gz RZZBURNQUDVOPB-UYRXBGFRSA-N 0 0 424.283 5.917 40 30 HKEBRN CCOc1ccccc1/C=N\c1sc2c(c1C(=O)NCc1ccco1)CCCC2 ZINC000409083149 558928415 /nfs/dbraw/zinc/92/84/15/558928415.db2.gz UWURRWSOPPGFFG-QFEZKATASA-N 0 0 408.523 5.299 40 30 HKEBRN CCN(CC)c1ccc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c(OC)c1 ZINC000409083276 558927980 /nfs/dbraw/zinc/92/79/80/558927980.db2.gz VAPYZNPNGMVGGV-AXNZHVIBSA-N 0 0 423.626 6.376 40 30 HKEBRN CCN(CC)c1ccc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c(OC)c1 ZINC000409083278 558928209 /nfs/dbraw/zinc/92/82/09/558928209.db2.gz VAPYZNPNGMVGGV-NLTKLDOMSA-N 0 0 423.626 6.376 40 30 HKEBRN COCc1cc(C)nc(N=NCc2ccc(Sc3ccc(Cl)cc3)o2)c1C#N ZINC000409083307 560674054 /nfs/dbraw/zinc/67/40/54/560674054.db2.gz VDSPNORFHOEICV-KSEXSDGBSA-N 0 0 412.902 5.252 40 30 HKEBRN CCOC(=O)COc1ccc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1 ZINC000409083394 560674055 /nfs/dbraw/zinc/67/40/55/560674055.db2.gz VFDVOWBRTBQGPW-HSOLMKNUSA-N 0 0 424.566 5.463 40 30 HKEBRN CCOC(=O)COc1ccc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1 ZINC000409083396 560674046 /nfs/dbraw/zinc/67/40/46/560674046.db2.gz VFDVOWBRTBQGPW-OXVLKEGXSA-N 0 0 424.566 5.463 40 30 HKEBRN C=CCN1C(=O)S/C(=C/c2c(C)n(Cc3ccccc3Cl)c3ccccc23)C1=O ZINC000409083459 560674024 /nfs/dbraw/zinc/67/40/24/560674024.db2.gz APXOVACQTYINMD-FYJGNVAPSA-N 0 0 422.937 5.874 40 30 HKEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(/N=C/c3ccc(-c4cccc(Cl)c4)o3)sc2C1 ZINC000409083588 558928622 /nfs/dbraw/zinc/92/86/22/558928622.db2.gz SZBNFKGZUPYWSP-JZNDDVEWSA-N 0 0 422.981 7.435 40 30 HKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(/N=C/c3ccc(-c4cccc(Cl)c4)o3)sc2C1 ZINC000409083591 558928785 /nfs/dbraw/zinc/92/87/85/558928785.db2.gz SZBNFKGZUPYWSP-NKZWWHGNSA-N 0 0 422.981 7.435 40 30 HKEBRN COc1ccc(/C=C2\S/C(=N/c3ccc(Cl)cc3)N(CC(C)C)C2=O)cc1 ZINC000409083639 558928789 /nfs/dbraw/zinc/92/87/89/558928789.db2.gz TYTROGDVJKCGEL-RSXNERHXSA-N 0 0 400.931 5.609 40 30 HKEBRN C#CCOc1ccc(/C=C2\S/C(=N/c3ccc(Cl)cc3)N(CCC)C2=O)cc1 ZINC000409083974 558928812 /nfs/dbraw/zinc/92/88/12/558928812.db2.gz UZVWISGKWOMPPC-PRMAFZJDSA-N 0 0 410.926 5.366 40 30 HKEBRN COc1cc(/C=C2\S/C(=N/c3ccc(Cl)cc3)N(CC(C)C)C2=O)ccc1O ZINC000409084033 560674191 /nfs/dbraw/zinc/67/41/91/560674191.db2.gz WFVFFSYMBAEADZ-HUIWRNEVSA-N 0 0 416.930 5.314 40 30 HKEBRN O=C1ON=C(c2ccccc2)/C1=C/c1cc(Cl)ccc1OCc1cccc(F)c1 ZINC000409084060 558928754 /nfs/dbraw/zinc/92/87/54/558928754.db2.gz PAHZBDLNORNUNF-MOSHPQCFSA-N 0 0 407.828 5.403 40 30 HKEBRN COC(=O)c1ccc(Cl)c(/N=C/c2cc(C34CC5CC(CC(C5)C3)C4)ccc2O)c1 ZINC000409084105 558928792 /nfs/dbraw/zinc/92/87/92/558928792.db2.gz WNCNDVZUUVVQNP-MZJWZYIUSA-N 0 0 423.940 6.051 40 30 HKEBRN Cc1cc(CN=Nc2ccc(C(F)(F)F)cn2)c(C)n1-c1ccc(C(C)C)cc1 ZINC000409084187 558928410 /nfs/dbraw/zinc/92/84/10/558928410.db2.gz BUOZHZOEBPBTJY-KKMKTNMSSA-N 0 0 400.448 6.077 40 30 HKEBRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N=NCc1ccc(Sc2ccccc2)cc1 ZINC000409084248 558928353 /nfs/dbraw/zinc/92/83/53/558928353.db2.gz ATEOIDBPZHIXLT-ZMOGYAJESA-N 0 0 417.412 6.211 40 30 HKEBRN CCCN1C(=O)/C(=C/c2ccc(SC)cc2)S/C1=N/c1ccc(Cl)cc1 ZINC000409084297 558928574 /nfs/dbraw/zinc/92/85/74/558928574.db2.gz BCFJJIMAINIZMS-YISMEOAQSA-N 0 0 402.972 6.076 40 30 HKEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(/N=C/c3ccc(N4CCCCCC4)o3)sc2C1 ZINC000409084356 558928588 /nfs/dbraw/zinc/92/85/88/558928588.db2.gz XSSDVJHOSPMGCD-GNYKCMPYSA-N 0 0 409.599 6.495 40 30 HKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(/N=C/c3ccc(N4CCCCCC4)o3)sc2C1 ZINC000409084360 560674143 /nfs/dbraw/zinc/67/41/43/560674143.db2.gz XSSDVJHOSPMGCD-MOROIOLQSA-N 0 0 409.599 6.495 40 30 HKEBRN O=[N+]([O-])c1cccnc1N=NCc1ccccc1OCc1ccc(Cl)c(Cl)c1 ZINC000409084387 558928585 /nfs/dbraw/zinc/92/85/85/558928585.db2.gz CSROGWZSSDJHNR-FOKLQQMPSA-N 0 0 417.252 5.322 40 30 HKEBRN Oc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=N/c1ccc(-c2ccccc2)cc1 ZINC000409084458 558928599 /nfs/dbraw/zinc/92/85/99/558928599.db2.gz MCVCOYSZTDFQEK-NDZAJKAJSA-N 0 0 407.557 7.278 40 30 HKEBRN O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(CN=Nc2ccc(C(F)(F)F)cn2)o1 ZINC000409084466 558928581 /nfs/dbraw/zinc/92/85/81/558928581.db2.gz CVVXLWMDXIKSSI-NUGSKGIGSA-N 0 0 410.739 5.368 40 30 HKEBRN CCCN1C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)S/C1=N/c1ccc(Cl)cc1 ZINC000409084479 560674152 /nfs/dbraw/zinc/67/41/52/560674152.db2.gz PMCGRJYBTLIMTO-HATACVMWSA-N 0 0 401.875 5.262 40 30 HKEBRN O=C1ON=C(c2ccccc2)/C1=C/c1ccc(OCc2ccccc2F)c(Cl)c1 ZINC000409084513 558928483 /nfs/dbraw/zinc/92/84/83/558928483.db2.gz WSUAMDHIGDXZJP-PDGQHHTCSA-N 0 0 407.828 5.403 40 30 HKEBRN CCCN1C(=O)/C(=C/c2ccc(OC)c(C)c2)S/C1=N/c1ccc(Cl)cc1 ZINC000409084587 558928618 /nfs/dbraw/zinc/92/86/18/558928618.db2.gz VSLLHDNIDILKLP-XMFNYGHISA-N 0 0 400.931 5.671 40 30 HKEBRN COc1ccc2ccccc2c1/C=N/c1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 ZINC000409084615 558928590 /nfs/dbraw/zinc/92/85/90/558928590.db2.gz YGBHFUJGLMXZDG-JEWIKEISSA-N 0 0 402.563 6.683 40 30 HKEBRN COc1ccc2ccccc2c1/C=N/c1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 ZINC000409084622 558928597 /nfs/dbraw/zinc/92/85/97/558928597.db2.gz YGBHFUJGLMXZDG-VSWHYLHOSA-N 0 0 402.563 6.683 40 30 HKEBRN CCCN1C(=O)/C(=C/c2ccc(O)c(OCC)c2)S/C1=N/c1ccc(Cl)cc1 ZINC000409084962 558929003 /nfs/dbraw/zinc/92/90/03/558929003.db2.gz YAKQWQDFMUEBLH-XMFNYGHISA-N 0 0 416.930 5.458 40 30 HKEBRN CC(C)(C)[C@@H]1CCc2c(sc(/N=C\c3ccccc3)c2C(=O)NCc2ccco2)C1 ZINC000409085047 558928944 /nfs/dbraw/zinc/92/89/44/558928944.db2.gz WKULBANPOGUZQN-AKDVYYJXSA-N 0 0 420.578 6.173 40 30 HKEBRN CC(C)(C)[C@H]1CCc2c(sc(/N=C\c3ccccc3)c2C(=O)NCc2ccco2)C1 ZINC000409085051 558928969 /nfs/dbraw/zinc/92/89/69/558928969.db2.gz WKULBANPOGUZQN-BCYKDHKFSA-N 0 0 420.578 6.173 40 30 HKEBRN O=C1ON=C(c2ccccc2)/C1=C/c1ccccc1OCc1cccc2ccccc21 ZINC000409085061 558928948 /nfs/dbraw/zinc/92/89/48/558928948.db2.gz RFDLDYKSMUDZTM-ULJHMMPZSA-N 0 0 405.453 5.763 40 30 HKEBRN O=C1ON=C(c2ccccc2)/C1=C/c1cccc(OCc2cccc3ccccc32)c1 ZINC000409085068 558928897 /nfs/dbraw/zinc/92/88/97/558928897.db2.gz YRLMSKQCXLWRAA-KOEQRZSOSA-N 0 0 405.453 5.763 40 30 HKEBRN C=CCc1cc(/C=C2\C(=O)ON=C2C)cc(OCC)c1OCc1ccccc1Cl ZINC000409085180 558928880 /nfs/dbraw/zinc/92/88/80/558928880.db2.gz RNIOGNCYZLBZSB-UNOMPAQXSA-N 0 0 411.885 5.362 40 30 HKEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(/N=C/c3ccc(-c4ccc(Cl)cc4)o3)sc2C1 ZINC000409085222 558928900 /nfs/dbraw/zinc/92/89/00/558928900.db2.gz NWUSZQHLNHFGJZ-JZNDDVEWSA-N 0 0 422.981 7.435 40 30 HKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(/N=C/c3ccc(-c4ccc(Cl)cc4)o3)sc2C1 ZINC000409085226 558929158 /nfs/dbraw/zinc/92/91/58/558929158.db2.gz NWUSZQHLNHFGJZ-NKZWWHGNSA-N 0 0 422.981 7.435 40 30 HKEBRN CCOc1ccc(Cl)cc1/C=N/c1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 ZINC000409085395 560674247 /nfs/dbraw/zinc/67/42/47/560674247.db2.gz SEYUJJAQNLLYFT-SQAVSUBZSA-N 0 0 400.975 6.573 40 30 HKEBRN CCOc1ccc(Cl)cc1/C=N/c1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 ZINC000409085400 558928751 /nfs/dbraw/zinc/92/87/51/558928751.db2.gz SEYUJJAQNLLYFT-VSRRSJTHSA-N 0 0 400.975 6.573 40 30 HKEBRN Cc1cc(N2CCCCC2)ccc1C=[NH+][N-]c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409085525 560674227 /nfs/dbraw/zinc/67/42/27/560674227.db2.gz DDWSKFRFNFRAAU-ZMOGYAJESA-N 0 0 406.408 5.358 40 30 HKEBRN FC(F)(F)c1ccc(N=NCc2ccccc2OCc2cccc3ccccc32)nc1 ZINC000409085554 558928732 /nfs/dbraw/zinc/92/87/32/558928732.db2.gz DIOSIFJXVQYBDV-IPPBACCNSA-N 0 0 421.422 6.279 40 30 HKEBRN CCOc1cc(C)c(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1C(C)C ZINC000409085571 558928675 /nfs/dbraw/zinc/92/86/75/558928675.db2.gz DMYXZVVCLIJXKU-BHGWPJFGSA-N 0 0 409.408 5.890 40 30 HKEBRN O=C1ON=C(c2ccccc2)/C1=C/c1ccc(OCc2ccc(F)cc2)c(Cl)c1 ZINC000409085781 558928908 /nfs/dbraw/zinc/92/89/08/558928908.db2.gz DICBMNVTBGUOBZ-UNOMPAQXSA-N 0 0 407.828 5.403 40 30 HKEBRN Oc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=N\c1ccc(Cl)cc1Cl ZINC000409085944 560674225 /nfs/dbraw/zinc/67/42/25/560674225.db2.gz XPRCNAQCKYVJEN-ZMFRSBBQSA-N 0 0 400.349 6.917 40 30 HKEBRN COc1cccc(Oc2ccc(NC=CC(=O)c3ccc(-c4ccccc4)cc3)cc2)c1 ZINC000409086209 560674771 /nfs/dbraw/zinc/67/47/71/560674771.db2.gz GLKURRKQILDJMZ-VHEBQXMUSA-N 0 0 421.496 6.963 40 30 HKEBRN O=[N+]([O-])c1cccnc1N=NCc1c(OCc2ccc(F)cc2)ccc2ccccc21 ZINC000409086286 560674779 /nfs/dbraw/zinc/67/47/79/560674779.db2.gz GRZAIJGCAPWYEY-VULFUBBASA-N 0 0 416.412 5.307 40 30 HKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(/N=C/c3cccn3-c3ccc(Cl)cc3)sc2C1 ZINC000409086469 558929013 /nfs/dbraw/zinc/92/90/13/558929013.db2.gz QUFGEFDMAYWKAS-WJGWSCHNSA-N 0 0 421.997 6.965 40 30 HKEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(/N=C/c3cccn3-c3ccc(Cl)cc3)sc2C1 ZINC000409086484 560674876 /nfs/dbraw/zinc/67/48/76/560674876.db2.gz QUFGEFDMAYWKAS-ZXSUQFSISA-N 0 0 421.997 6.965 40 30 HKEBRN O=C1ON=C(c2ccccc2)/C1=C/c1ccc(OCc2ccccc2Cl)c(Cl)c1 ZINC000409086662 558928779 /nfs/dbraw/zinc/92/87/79/558928779.db2.gz WHPQRYOROOGYBJ-PDGQHHTCSA-N 0 0 424.283 5.917 40 30 HKEBRN C#CCOc1ccccc1/C=C1/S/C(=N\c2ccccc2)N(c2ccccc2)C1=O ZINC000409086698 558929240 /nfs/dbraw/zinc/92/92/40/558929240.db2.gz WJCVXVVBMKKYCI-LVCNHQDNSA-N 0 0 410.498 5.507 40 30 HKEBRN C=CCOc1ccc(/C=C2\S/C(=N/c3ccc(Cl)cc3)N(CCC)C2=O)cc1 ZINC000409086706 558929245 /nfs/dbraw/zinc/92/92/45/558929245.db2.gz ARDCENDAUSLZQS-PRMAFZJDSA-N 0 0 412.942 5.919 40 30 HKEBRN N#Cc1c2c(sc1/N=C/c1cc(C34CC5CC(CC(C5)C3)C4)ccc1O)CCCC2 ZINC000409086710 558929109 /nfs/dbraw/zinc/92/91/09/558929109.db2.gz ARZHHMXGKBRWPI-RWPZCVJISA-N 0 0 416.590 6.423 40 30 HKEBRN Cc1ccc(COc2ccc(/C=C3\C(=O)ON=C3c3ccccc3)cc2Cl)cc1 ZINC000409086811 560674835 /nfs/dbraw/zinc/67/48/35/560674835.db2.gz BHBXWAUMYMYUEZ-MOSHPQCFSA-N 0 0 403.865 5.572 40 30 HKEBRN C(=N/c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)\c1ccc(N2CCOCC2)cc1 ZINC000409086831 558929250 /nfs/dbraw/zinc/92/92/50/558929250.db2.gz HDWRHOSEAMHNBM-TURZUDJPSA-N 0 0 400.566 5.742 40 30 HKEBRN COc1ccc(Cl)cc1/C=C1/S/C(=N\c2ccccc2)N(c2ccccc2)C1=O ZINC000409087062 558929390 /nfs/dbraw/zinc/92/93/90/558929390.db2.gz AGQMVMQSBILZST-DBSKITMISA-N 0 0 420.921 6.157 40 30 HKEBRN CC(C)Oc1ccc(Cl)cc1/C=N\c1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 ZINC000409087124 558929380 /nfs/dbraw/zinc/92/93/80/558929380.db2.gz GKLJRPRRQKLCOB-NCQSQGRDSA-N 0 0 415.002 6.962 40 30 HKEBRN CC(C)Oc1ccc(Cl)cc1/C=N\c1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 ZINC000409087126 558929376 /nfs/dbraw/zinc/92/93/76/558929376.db2.gz GKLJRPRRQKLCOB-REWBEUJESA-N 0 0 415.002 6.962 40 30 HKEBRN O=C1ON=C(c2ccccc2)/C1=C/c1ccccc1OCc1ccc(Cl)cc1Cl ZINC000409087201 558929433 /nfs/dbraw/zinc/92/94/33/558929433.db2.gz BCWLDPUYSSAKQE-UNOMPAQXSA-N 0 0 424.283 5.917 40 30 HKEBRN COC(=O)c1cccc(/N=C/c2cc(C34CC5CC(CC(C5)C3)C4)ccc2O)c1C ZINC000409087216 558929470 /nfs/dbraw/zinc/92/94/70/558929470.db2.gz BFIIQDGXWOTNHF-JFLMPSFJSA-N 0 0 403.522 5.706 40 30 HKEBRN COc1cc(OC)c(OC)cc1/C=N/c1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 ZINC000409087281 558929456 /nfs/dbraw/zinc/92/94/56/558929456.db2.gz YECSWRUPLHMXTB-SQAVSUBZSA-N 0 0 412.555 5.547 40 30 HKEBRN COc1cc(OC)c(OC)cc1/C=N/c1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 ZINC000409087284 560674874 /nfs/dbraw/zinc/67/48/74/560674874.db2.gz YECSWRUPLHMXTB-VSRRSJTHSA-N 0 0 412.555 5.547 40 30 HKEBRN CC(C)CN1C(=O)/C(=C/c2ccc(C(C)C)cc2)S/C1=N/c1ccc(Cl)cc1 ZINC000409087297 560674889 /nfs/dbraw/zinc/67/48/89/560674889.db2.gz YGEZHVCNOPSMBV-IAUUDGPGSA-N 0 0 412.986 6.723 40 30 HKEBRN Oc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=N/c1ccc(N2CCOCC2)cc1 ZINC000409087367 560674870 /nfs/dbraw/zinc/67/48/70/560674870.db2.gz YNRZTRNRSYMYGE-MTDXEUNCSA-N 0 0 416.565 5.447 40 30 HKEBRN CC(C)CN1C(=O)/C(=C/c2ccc3c(c2)OCO3)S/C1=N/c1ccc(Cl)cc1 ZINC000409087404 558929458 /nfs/dbraw/zinc/92/94/58/558929458.db2.gz UBOGPGKDWXDNFC-QPGSGLTOSA-N 0 0 414.914 5.329 40 30 HKEBRN C#CCOc1ccc(/C=C2\S/C(=N/c3ccc(Cl)cc3)N(CC(C)C)C2=O)cc1 ZINC000409087458 560674862 /nfs/dbraw/zinc/67/48/62/560674862.db2.gz UFIDQCYRAAKXLC-SXZIKPQKSA-N 0 0 424.953 5.612 40 30 HKEBRN Cc1cc(CN=Nc2ncccc2[N+](=O)[O-])c(C)n1-c1ccc(-c2ccccc2)cc1 ZINC000409087587 560674948 /nfs/dbraw/zinc/67/49/48/560674948.db2.gz IYYCBGNWMDOPIJ-QQXSKIMKSA-N 0 0 411.465 5.510 40 30 HKEBRN COc1cc(C)c(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1C(C)C ZINC000409087593 560674979 /nfs/dbraw/zinc/67/49/79/560674979.db2.gz CEGXWPWHARUFNA-BLNASNEQSA-N 0 0 408.611 6.962 40 30 HKEBRN COc1cc(C)c(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1C(C)C ZINC000409087595 558929163 /nfs/dbraw/zinc/92/91/63/558929163.db2.gz CEGXWPWHARUFNA-JYSLEBDSSA-N 0 0 408.611 6.962 40 30 HKEBRN CC(C)Oc1ccc(/C=N\c2sc3c(c2C(=O)NCc2ccco2)CCCC3)cc1 ZINC000409087662 560674950 /nfs/dbraw/zinc/67/49/50/560674950.db2.gz CZBFYWQOVQIRNS-WGARJPEWSA-N 0 0 422.550 5.688 40 30 HKEBRN COc1ccc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c(OC)c1OC ZINC000409087863 558929823 /nfs/dbraw/zinc/92/98/23/558929823.db2.gz IEOJQGQXYABTQA-SQAVSUBZSA-N 0 0 412.555 5.547 40 30 HKEBRN COc1ccc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c(OC)c1OC ZINC000409087864 560674971 /nfs/dbraw/zinc/67/49/71/560674971.db2.gz IEOJQGQXYABTQA-VSRRSJTHSA-N 0 0 412.555 5.547 40 30 HKEBRN COc1cc(OC)c(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c(OC)c1 ZINC000409087869 560674997 /nfs/dbraw/zinc/67/49/97/560674997.db2.gz IHSSGWXDQKCQBL-AZRQGOPLSA-N 0 0 412.555 5.547 40 30 HKEBRN COc1cc(OC)c(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c(OC)c1 ZINC000409087870 560674951 /nfs/dbraw/zinc/67/49/51/560674951.db2.gz IHSSGWXDQKCQBL-XHCMJAMOSA-N 0 0 412.555 5.547 40 30 HKEBRN CCCN1C(=O)/C(=C/c2ccc(OC)cc2OC)S/C1=N/c1ccc(Cl)cc1 ZINC000409088034 558930029 /nfs/dbraw/zinc/93/00/29/558930029.db2.gz DQDZVILMDAKUGE-RSXNERHXSA-N 0 0 416.930 5.371 40 30 HKEBRN CCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)S/C1=N/c1ccc(Cl)cc1 ZINC000409088173 558929368 /nfs/dbraw/zinc/92/93/68/558929368.db2.gz FDHJHMVRMGLWDU-OADBCFLWSA-N 0 0 400.887 5.083 40 30 HKEBRN Cc1ccc(/C=N/c2sc3c(c2C(=O)NCc2ccco2)CCCC3)cc1[N+](=O)[O-] ZINC000409088284 558929367 /nfs/dbraw/zinc/92/93/67/558929367.db2.gz WPGXRFUOXHBHIA-WYMPLXKRSA-N 0 0 423.494 5.117 40 30 HKEBRN Cc1cc(Br)ccc1/N=C\c1cc(C23CC4CC(CC(C4)C2)C3)ccc1O ZINC000409088479 560675048 /nfs/dbraw/zinc/67/50/48/560675048.db2.gz FQRCLVRUYMRFGP-WGARJPEWSA-N 0 0 424.382 6.682 40 30 HKEBRN CCN(CC)c1ccc(/N=C/c2cc(C34CC5CC(CC(C5)C3)C4)ccc2O)cc1 ZINC000409088502 558929709 /nfs/dbraw/zinc/92/97/09/558929709.db2.gz FUCIGRQTZNPSFP-MTDXEUNCSA-N 0 0 402.582 6.457 40 30 HKEBRN O=C1ON=C(c2ccccc2)/C1=C/c1ccc(OCc2cccc(F)c2)c(Cl)c1 ZINC000409088557 558929621 /nfs/dbraw/zinc/92/96/21/558929621.db2.gz GFUVPWSHKVSAPK-UNOMPAQXSA-N 0 0 407.828 5.403 40 30 HKEBRN CCOc1ccc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c2ccccc12 ZINC000409088585 558929674 /nfs/dbraw/zinc/92/96/74/558929674.db2.gz GIKGDVGVOFZEQJ-CTOFZRSPSA-N 0 0 416.590 7.073 40 30 HKEBRN CCOc1ccc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c2ccccc12 ZINC000409088587 558929682 /nfs/dbraw/zinc/92/96/82/558929682.db2.gz GIKGDVGVOFZEQJ-GBYSFBBLSA-N 0 0 416.590 7.073 40 30 HKEBRN CCCN1C(=O)/C(=C/c2cccc(OCC)c2O)S/C1=N/c1ccc(Cl)cc1 ZINC000409088615 558929689 /nfs/dbraw/zinc/92/96/89/558929689.db2.gz GJZYJFTXAMDUAC-ZIARRYFKSA-N 0 0 416.930 5.458 40 30 HKEBRN CC(C)(C)[C@@H]1CCc2c(sc(/N=C\c3ccco3)c2C(=O)NCc2ccco2)C1 ZINC000409088695 558929616 /nfs/dbraw/zinc/92/96/16/558929616.db2.gz GMMSIYIARFVVRX-MLGZCZAZSA-N 0 0 410.539 5.766 40 30 HKEBRN CC(C)(C)[C@H]1CCc2c(sc(/N=C\c3ccco3)c2C(=O)NCc2ccco2)C1 ZINC000409088696 558929662 /nfs/dbraw/zinc/92/96/62/558929662.db2.gz GMMSIYIARFVVRX-XFRWHIHTSA-N 0 0 410.539 5.766 40 30 HKEBRN C#CCOc1ccc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1OC ZINC000409088734 560675108 /nfs/dbraw/zinc/67/51/08/560675108.db2.gz XTQJTAMKLADKQH-AEIQVQRHSA-N 0 0 406.551 5.542 40 30 HKEBRN C#CCOc1ccc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1OC ZINC000409088736 558929700 /nfs/dbraw/zinc/92/97/00/558929700.db2.gz XTQJTAMKLADKQH-CIRUFVMISA-N 0 0 406.551 5.542 40 30 HKEBRN O=C1ON=C(c2ccccc2)/C1=C/c1cc(Cl)c(OCc2ccccc2)c(Cl)c1 ZINC000409088749 558929657 /nfs/dbraw/zinc/92/96/57/558929657.db2.gz XZOHCCGUCYFKGB-WQRHYEAKSA-N 0 0 424.283 5.917 40 30 HKEBRN CCOc1cc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)ccc1OC(C)C ZINC000409088815 558929677 /nfs/dbraw/zinc/92/96/77/558929677.db2.gz HFXSNTNTBKKACF-FLOSOGMCSA-N 0 0 424.610 6.707 40 30 HKEBRN CCOc1cc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)ccc1OC(C)C ZINC000409088817 558929724 /nfs/dbraw/zinc/92/97/24/558929724.db2.gz HFXSNTNTBKKACF-UBXTYJAUSA-N 0 0 424.610 6.707 40 30 HKEBRN O=[N+]([O-])c1cccnc1N=NCc1cn(Cc2cccc3ccccc32)c2ccccc12 ZINC000409089030 558929784 /nfs/dbraw/zinc/92/97/84/558929784.db2.gz MODHALGJNGGPIQ-JFLMPSFJSA-N 0 0 421.460 5.592 40 30 HKEBRN COc1cc(/C=C2\C(=O)ON=C2c2ccccc2)cc(Cl)c1OCc1ccccc1 ZINC000409089031 560675081 /nfs/dbraw/zinc/67/50/81/560675081.db2.gz GYVFULWGVJOJNH-UNOMPAQXSA-N 0 0 419.864 5.272 40 30 HKEBRN C#CCOc1cccc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)c1 ZINC000409089057 558929793 /nfs/dbraw/zinc/92/97/93/558929793.db2.gz HBYVJGKETRJVEO-CUHSDLGESA-N 0 0 410.498 5.507 40 30 HKEBRN C=CCc1cc(/C=C2\C(=O)ON=C2C)cc(OCC)c1OCc1ccc(Cl)cc1 ZINC000409089226 560675086 /nfs/dbraw/zinc/67/50/86/560675086.db2.gz YXNBVIUXTFMNIO-NDENLUEZSA-N 0 0 411.885 5.362 40 30 HKEBRN Oc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=N\c1ccc(Cl)c(Cl)c1 ZINC000409089259 558929866 /nfs/dbraw/zinc/92/98/66/558929866.db2.gz ZHRPKTXUVPLEAN-ZMFRSBBQSA-N 0 0 400.349 6.917 40 30 HKEBRN Cc1ccc(C)n1-c1ccc(/N=C\c2cc(C34CC5CC(CC(C5)C3)C4)ccc2O)cc1 ZINC000409089298 558929808 /nfs/dbraw/zinc/92/98/08/558929808.db2.gz ZYYARRZTWAHBGN-YKQZZPSBSA-N 0 0 424.588 7.018 40 30 HKEBRN CCCN1C(=O)/C(=C/c2ccc(O)c(Cl)c2)S/C1=N/c1ccc(Cl)cc1 ZINC000409089818 560675179 /nfs/dbraw/zinc/67/51/79/560675179.db2.gz KJJKLFWTVGFKCY-PBVZKUNTSA-N 0 0 407.322 5.713 40 30 HKEBRN Cc1cc(/N=C\c2cc(C34CC5CC(CC(C5)C3)C4)ccc2O)cc([N+](=O)[O-])c1C ZINC000409090044 558930068 /nfs/dbraw/zinc/93/00/68/558930068.db2.gz OGWYTDMHEQYEJB-WGARJPEWSA-N 0 0 404.510 6.136 40 30 HKEBRN Oc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=N/c1ccc(Br)cc1 ZINC000409090244 560675299 /nfs/dbraw/zinc/67/52/99/560675299.db2.gz LMYMHRLPZBUHNN-AFUMVMLFSA-N 0 0 410.355 6.373 40 30 HKEBRN CC(C)CN1C(=O)/C(=C/c2ccc(O)c(Cl)c2)S/C1=N/c1ccc(Cl)cc1 ZINC000409090260 558930270 /nfs/dbraw/zinc/93/02/70/558930270.db2.gz LUFDWPPPYIVSOO-PDIQUHFFSA-N 0 0 421.349 5.959 40 30 HKEBRN CC(C)(C)[C@@H]1CCc2c(sc(/N=C\c3cccnc3)c2C(=O)NCc2ccco2)C1 ZINC000409090362 560675318 /nfs/dbraw/zinc/67/53/18/560675318.db2.gz MOOXRQPIYAEXII-MWQSPYHUSA-N 0 0 421.566 5.568 40 30 HKEBRN CC(C)(C)[C@H]1CCc2c(sc(/N=C\c3cccnc3)c2C(=O)NCc2ccco2)C1 ZINC000409090364 560675340 /nfs/dbraw/zinc/67/53/40/560675340.db2.gz MOOXRQPIYAEXII-PZLUAEMBSA-N 0 0 421.566 5.568 40 30 HKEBRN COc1cc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)ccc1OC(C)C ZINC000409090636 560675310 /nfs/dbraw/zinc/67/53/10/560675310.db2.gz MRYQPYAYCHRKEM-HSOLMKNUSA-N 0 0 410.583 6.317 40 30 HKEBRN COc1cc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)ccc1OC(C)C ZINC000409090637 558930724 /nfs/dbraw/zinc/93/07/24/558930724.db2.gz MRYQPYAYCHRKEM-OXVLKEGXSA-N 0 0 410.583 6.317 40 30 HKEBRN Oc1ccc(C23CC4CC(CC(C4)C2)C3)cc1C=NN=c1[nH]c2ccccc2s1 ZINC000409090664 560675273 /nfs/dbraw/zinc/67/52/73/560675273.db2.gz NAJJTOCKINADRF-QFEZKATASA-N 0 0 403.551 5.916 40 30 HKEBRN CCOC(=O)c1ccc(/N=C/c2cc(C34CC5CC(CC(C5)C3)C4)ccc2O)cc1 ZINC000409090750 560675292 /nfs/dbraw/zinc/67/52/92/560675292.db2.gz OIMYUYACEMRIIK-JVWAILMASA-N 0 0 403.522 5.787 40 30 HKEBRN C=CCc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(OC)c1OC ZINC000409090808 558930601 /nfs/dbraw/zinc/93/06/01/558930601.db2.gz QISBUBRLWJNMAG-QJOMJCCJSA-N 0 0 424.500 5.267 40 30 HKEBRN FC(F)(F)c1ccc(N=NCc2ccccc2Sc2ccc(Cl)cc2)nc1 ZINC000409090827 560675288 /nfs/dbraw/zinc/67/52/88/560675288.db2.gz QNHFGVHQSQRDIV-GATIEOLUSA-N 0 0 407.848 6.351 40 30 HKEBRN CC(C)n1cc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c2ccccc21 ZINC000409091007 558930532 /nfs/dbraw/zinc/93/05/32/558930532.db2.gz OMDBEXVYRGXWTE-BLNASNEQSA-N 0 0 403.595 7.057 40 30 HKEBRN CC(C)n1cc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c2ccccc21 ZINC000409091010 558930400 /nfs/dbraw/zinc/93/04/00/558930400.db2.gz OMDBEXVYRGXWTE-JYSLEBDSSA-N 0 0 403.595 7.057 40 30 HKEBRN N#Cc1ccc(COc2ccc(Cl)cc2/C=C2\Sc3ccccc3NC2=O)cc1 ZINC000409091027 558930446 /nfs/dbraw/zinc/93/04/46/558930446.db2.gz SHDFKVJRDZXMIB-UUYOSTAYSA-N 0 0 418.905 5.876 40 30 HKEBRN C=CCN1C(=O)S/C(=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)C1=O ZINC000409091047 558930505 /nfs/dbraw/zinc/93/05/05/558930505.db2.gz SLUQLAOLHTWUNF-UDWIEESQSA-N 0 0 408.910 5.565 40 30 HKEBRN CC(C)(C)[C@@H]1CCc2c(sc(/N=C\c3ccncc3)c2C(=O)NCc2ccco2)C1 ZINC000409091300 560675365 /nfs/dbraw/zinc/67/53/65/560675365.db2.gz SOMNESUAZDBRSG-MWQSPYHUSA-N 0 0 421.566 5.568 40 30 HKEBRN CC(C)(C)[C@H]1CCc2c(sc(/N=C\c3ccncc3)c2C(=O)NCc2ccco2)C1 ZINC000409091302 560675401 /nfs/dbraw/zinc/67/54/01/560675401.db2.gz SOMNESUAZDBRSG-PZLUAEMBSA-N 0 0 421.566 5.568 40 30 HKEBRN O=C1ON=C(c2ccccc2)/C1=C/c1c(OCc2ccccc2F)ccc2ccccc21 ZINC000409091383 560675372 /nfs/dbraw/zinc/67/53/72/560675372.db2.gz QAFIRZLICUGOJV-KQWNVCNZSA-N 0 0 423.443 5.902 40 30 HKEBRN Cc1cc(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C)n1-c1ccccc1 ZINC000409091588 558930458 /nfs/dbraw/zinc/93/04/58/558930458.db2.gz VJPAKSWFVFIRTM-MSXFZWOLSA-N 0 0 402.376 5.467 40 30 HKEBRN CC1=NOC(=O)/C1=C\c1cc(Cl)c(OCc2cccc3ccccc32)c(Cl)c1 ZINC000409091662 560675393 /nfs/dbraw/zinc/67/53/93/560675393.db2.gz SVGRSWPYZLYEAC-NVMNQCDNSA-N 0 0 412.272 6.042 40 30 HKEBRN COc1cc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc(OC)c1OC ZINC000409091975 558930861 /nfs/dbraw/zinc/93/08/61/558930861.db2.gz RZRZXCJAZHVJOH-SQAVSUBZSA-N 0 0 412.555 5.547 40 30 HKEBRN COc1cc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc(OC)c1OC ZINC000409091977 558930874 /nfs/dbraw/zinc/93/08/74/558930874.db2.gz RZRZXCJAZHVJOH-VSRRSJTHSA-N 0 0 412.555 5.547 40 30 HKEBRN COc1cccc(C=NN=c2[nH]c3ccccc3s2)c1OCc1ccc(Cl)cc1 ZINC000409092050 560675380 /nfs/dbraw/zinc/67/53/80/560675380.db2.gz SNFPYQPPMXHLJZ-CFRMEGHHSA-N 0 0 423.925 5.983 40 30 HKEBRN C=CCN1C(=O)S/C(=C/c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)C1=O ZINC000409092056 560675408 /nfs/dbraw/zinc/67/54/08/560675408.db2.gz XGBQVVCHQCQSCQ-XDHOZWIPSA-N 0 0 415.898 5.150 40 30 HKEBRN CCOc1cc(/C=C2\C(=O)ON=C2c2ccccc2)ccc1OCc1cccc(F)c1 ZINC000409092112 560675406 /nfs/dbraw/zinc/67/54/06/560675406.db2.gz VCFKCACTJZVQSE-STZFKDTASA-N 0 0 417.436 5.148 40 30 HKEBRN CCOC(=O)c1cccc(/N=C\c2cc(C34CC5CC(CC(C5)C3)C4)ccc2O)c1 ZINC000409092116 558930908 /nfs/dbraw/zinc/93/09/08/558930908.db2.gz VELJXAPJXPIBKG-YUMHPJSZSA-N 0 0 403.522 5.787 40 30 HKEBRN C=CCN1C(=O)S/C(=C/c2ccccc2OCc2ccc(Cl)c(Cl)c2)C1=O ZINC000409092156 558930911 /nfs/dbraw/zinc/93/09/11/558930911.db2.gz VUBADUNSVHDHBG-WOJGMQOQSA-N 0 0 420.317 5.795 40 30 HKEBRN CC(C)(C)[C@H]1CCc2c(sc(/N=C\c3cccs3)c2C(=O)Nc2ccccc2)C1 ZINC000409092176 560675522 /nfs/dbraw/zinc/67/55/22/560675522.db2.gz WDORYPLPOGCRFV-GMQKBEEJSA-N 0 0 422.619 6.964 40 30 HKEBRN CC(C)(C)[C@@H]1CCc2c(sc(/N=C\c3cccs3)c2C(=O)Nc2ccccc2)C1 ZINC000409092177 558930921 /nfs/dbraw/zinc/93/09/21/558930921.db2.gz WDORYPLPOGCRFV-MKCIMWKDSA-N 0 0 422.619 6.964 40 30 HKEBRN C=CCOc1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1OCC ZINC000409092349 558930820 /nfs/dbraw/zinc/93/08/20/558930820.db2.gz UWNNEYNRPDPGHL-NKFKGCMQSA-N 0 0 424.500 5.485 40 30 HKEBRN FC(F)(F)c1ccc(N=NCc2ccc(-c3ccc(Cl)c(Cl)c3)o2)nc1 ZINC000409092418 560674478 /nfs/dbraw/zinc/67/44/78/560674478.db2.gz XXQNVDHVCVCPHC-OPVMPGTRSA-N 0 0 400.187 6.113 40 30 HKEBRN Cc1ccc(/N=C\c2cc(C34CC5CC(CC(C5)C3)C4)ccc2O)c(Br)c1 ZINC000409092934 558930720 /nfs/dbraw/zinc/93/07/20/558930720.db2.gz WYPLRHMZNAORJV-WGARJPEWSA-N 0 0 424.382 6.682 40 30 HKEBRN O=[N+]([O-])c1cc(/N=C/c2cc(C34CC5CC(CC(C5)C3)C4)ccc2O)ccc1Cl ZINC000409093091 558931307 /nfs/dbraw/zinc/93/13/07/558931307.db2.gz XHXVAVOYRGIWNV-DHRITJCHSA-N 0 0 410.901 6.172 40 30 HKEBRN CCOC(=O)COc1ccccc1/C=N/c1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 ZINC000409093135 558931339 /nfs/dbraw/zinc/93/13/39/558931339.db2.gz YAXSTZQCDJIWQZ-HSOLMKNUSA-N 0 0 424.566 5.463 40 30 HKEBRN CCOC(=O)COc1ccccc1/C=N/c1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 ZINC000409093136 558931312 /nfs/dbraw/zinc/93/13/12/558931312.db2.gz YAXSTZQCDJIWQZ-OXVLKEGXSA-N 0 0 424.566 5.463 40 30 HKEBRN C#CCOc1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1Cl ZINC000409093150 558931320 /nfs/dbraw/zinc/93/13/20/558931320.db2.gz YKEVPURGNFQURQ-PGMHBOJBSA-N 0 0 412.876 5.187 40 30 HKEBRN C=CCn1cc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c2ccccc21 ZINC000409093371 558931334 /nfs/dbraw/zinc/93/13/34/558931334.db2.gz ZFTJEBGHWINYQM-FLOSOGMCSA-N 0 0 401.579 6.662 40 30 HKEBRN C=CCn1cc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c2ccccc21 ZINC000409093372 560674435 /nfs/dbraw/zinc/67/44/35/560674435.db2.gz ZFTJEBGHWINYQM-UBXTYJAUSA-N 0 0 401.579 6.662 40 30 HKEBRN COc1cc(N2CCCC2)c(OC)cc1/C=N/c1ccc(Oc2ccccc2)cc1 ZINC000409093659 560674574 /nfs/dbraw/zinc/67/45/74/560674574.db2.gz BMTVUNFWEKCDHV-NLRVBDNBSA-N 0 0 402.494 5.847 40 30 HKEBRN N#Cc1ccccc1COc1ccccc1/C=C1\C(=O)Nc2cc(C(F)(F)F)ccc21 ZINC000409093978 558931542 /nfs/dbraw/zinc/93/15/42/558931542.db2.gz CBUDSBCHHWKNEB-JAIQZWGSSA-N 0 0 420.390 5.649 40 30 HKEBRN Cc1cc(CN=Nc2ccc(C(F)(F)F)cn2)c(C)n1-c1c(C)cc(C)cc1C ZINC000409094069 558931516 /nfs/dbraw/zinc/93/15/16/558931516.db2.gz CXEGYDZJSZWXAL-LUOAPIJWSA-N 0 0 400.448 5.879 40 30 HKEBRN CCOc1cc(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)cc1OC ZINC000409094092 560674576 /nfs/dbraw/zinc/67/45/76/560674576.db2.gz BVDXYKYGWLZVJK-LSFURLLWSA-N 0 0 417.771 5.120 40 30 HKEBRN Cc1cc(CN=Nc2ncccc2[N+](=O)[O-])c(C)n1-c1cccc(Cl)c1Cl ZINC000409094116 560674628 /nfs/dbraw/zinc/67/46/28/560674628.db2.gz CBWSHXJKBGGNNV-LSHDLFTRSA-N 0 0 404.257 5.150 40 30 HKEBRN CCOc1c(Cl)cc(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1Cl ZINC000409094154 558931556 /nfs/dbraw/zinc/93/15/56/558931556.db2.gz CZQDSJGXBFIDDJ-GZIVZEMBSA-N 0 0 422.190 5.765 40 30 HKEBRN Fc1ccccc1Cn1cc(CN=Nc2ccc(C(F)(F)F)cn2)c2ccccc21 ZINC000409094166 560674678 /nfs/dbraw/zinc/67/46/78/560674678.db2.gz COIJJTDUNUBWFS-IPBVOBEMSA-N 0 0 412.390 5.689 40 30 HKEBRN Cc1cc(N2CCOCC2)ccc1/C=N/c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000409094335 558931460 /nfs/dbraw/zinc/93/14/60/558931460.db2.gz DLAHVOQRMNTBML-VUTHCHCSSA-N 0 0 414.593 6.050 40 30 HKEBRN COc1cc(CN=Nc2ccc(C(F)(F)F)cn2)ccc1OCc1ccc(F)cc1 ZINC000409094520 560674644 /nfs/dbraw/zinc/67/46/44/560674644.db2.gz FKVVSQURCRWWRV-LUOAPIJWSA-N 0 0 419.378 5.273 40 30 HKEBRN C=CCN1C(=O)S/C(=C/c2ccc(OCc3cccc(F)c3)c(OCC)c2)C1=O ZINC000409094677 558931132 /nfs/dbraw/zinc/93/11/32/558931132.db2.gz FYZMNIJBKYKCJV-DEDYPNTBSA-N 0 0 413.470 5.026 40 30 HKEBRN FC(F)(F)c1ccc(N=NCc2ccc(Sc3ccc(Cl)cc3)cc2)nc1 ZINC000409095081 558931687 /nfs/dbraw/zinc/93/16/87/558931687.db2.gz BGDJIXCSFOBHQQ-OPEKNORGSA-N 0 0 407.848 6.351 40 30 HKEBRN N#Cc1ccc(-c2ccc(CN=Nc3ccc(C(F)(F)F)cc3[N+](=O)[O-])o2)cc1 ZINC000409095191 560674781 /nfs/dbraw/zinc/67/47/81/560674781.db2.gz HMMBSYLVZCSHDF-BHGWPJFGSA-N 0 0 400.316 5.191 40 30 HKEBRN COc1ccc(Oc2ccc(NC=CC(=O)c3ccc(Cl)cc3Cl)cc2)cc1 ZINC000409095270 558931686 /nfs/dbraw/zinc/93/16/86/558931686.db2.gz BRIOHLJKHYULFW-OUKQBFOZSA-N 0 0 414.288 6.603 40 30 HKEBRN Clc1ccc(Sc2ccc(/C=N/c3ccc(Nc4ccccc4)cc3)cc2)cc1 ZINC000409095392 560675391 /nfs/dbraw/zinc/67/53/91/560675391.db2.gz HKQTYQIFDABXEH-OVVQPSECSA-N 0 0 414.961 7.985 40 30 HKEBRN COc1ccc(Cl)cc1-n1c(C)cc(CN=Nc2ccc(C(F)(F)F)cn2)c1C ZINC000409095438 558931701 /nfs/dbraw/zinc/93/17/01/558931701.db2.gz CNPSHBLVYNIBPD-NSKAYECMSA-N 0 0 422.838 5.616 40 30 HKEBRN C=CCN1C(=O)S/C(=C/c2ccc(OCc3ccccc3F)c(OCC)c2)C1=O ZINC000409095569 558931720 /nfs/dbraw/zinc/93/17/20/558931720.db2.gz BMSMCLZRXJTEFP-DEDYPNTBSA-N 0 0 413.470 5.026 40 30 HKEBRN CC[C@H](C)Oc1ccc(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1OC ZINC000409095648 560675678 /nfs/dbraw/zinc/67/56/78/560675678.db2.gz DDLKLPHCAIUPPG-LITAXMHPSA-N 0 0 411.380 5.246 40 30 HKEBRN CC[C@@H](C)Oc1ccc(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1OC ZINC000409095654 558931693 /nfs/dbraw/zinc/93/16/93/558931693.db2.gz DDLKLPHCAIUPPG-MIDUAYCOSA-N 0 0 411.380 5.246 40 30 HKEBRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N=NCc1ccc(-c2cccc(Cl)c2)o1 ZINC000409095686 560675683 /nfs/dbraw/zinc/67/56/83/560675683.db2.gz IHTLYOPYOYLRNA-AUEPDCJTSA-N 0 0 409.751 5.973 40 30 HKEBRN CCn1c(C)cc(/C=C2\SC(=Nc3ccccc3)N(Cc3ccco3)C2=O)c1C ZINC000409095694 558931847 /nfs/dbraw/zinc/93/18/47/558931847.db2.gz IIAXOQOGFOXEFE-AWAAXKIWSA-N 0 0 405.523 5.522 40 30 HKEBRN FC(F)(F)c1ccc(N=NCc2ccc(-c3cccc(Cl)c3Cl)o2)nc1 ZINC000409095883 558931481 /nfs/dbraw/zinc/93/14/81/558931481.db2.gz IQSGXJCOLDIDRS-OPVMPGTRSA-N 0 0 400.187 6.113 40 30 HKEBRN Cc1cc(CN=Nc2ccc(C(F)(F)F)cn2)c(C)n1-c1cccc(Cl)c1C ZINC000409095968 560675806 /nfs/dbraw/zinc/67/58/06/560675806.db2.gz IXOJIUHSDZMMMD-NSKAYECMSA-N 0 0 406.839 5.916 40 30 HKEBRN O=[N+]([O-])c1ccc(Sc2ccc(/N=C/c3cc([N+](=O)[O-])ccc3Cl)cc2)cc1 ZINC000409095978 560675792 /nfs/dbraw/zinc/67/57/92/560675792.db2.gz JGCLFSBSSSRIMJ-CIAFOILYSA-N 0 0 413.842 6.058 40 30 HKEBRN N#Cc1c(/N=C/c2cc([N+](=O)[O-])ccc2Sc2ncccn2)sc2c1CCCC2 ZINC000409096062 560675805 /nfs/dbraw/zinc/67/58/05/560675805.db2.gz JJTYPSRAYLFLPO-WYMPLXKRSA-N 0 0 421.507 5.099 40 30 HKEBRN C=CCN1C(=O)S/C(=C/c2ccc(OCc3cccc(C)c3)c(OCC)c2)C1=O ZINC000409096065 558931941 /nfs/dbraw/zinc/93/19/41/558931941.db2.gz JESBFKKICGJOHA-KGENOOAVSA-N 0 0 409.507 5.195 40 30 HKEBRN O=[N+]([O-])c1ccc(Sc2ccc(/N=C/c3ccc(N4CCOCC4)cc3)cc2)cc1 ZINC000409096281 558931931 /nfs/dbraw/zinc/93/19/31/558931931.db2.gz DCRXCAIHWJYKGI-JJIBRWJFSA-N 0 0 419.506 5.333 40 30 HKEBRN C=CCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccccc3)c(Cl)c2)C1=O ZINC000409096368 560675837 /nfs/dbraw/zinc/67/58/37/560675837.db2.gz JZBLJDVGRZWPAC-GZTJUZNOSA-N 0 0 420.317 5.795 40 30 HKEBRN N#Cc1ccccc1Cn1cc(/C=C2\Sc3ccccc3NC2=O)c2ccccc21 ZINC000409096480 558932105 /nfs/dbraw/zinc/93/21/05/558932105.db2.gz JVRSKHLCKMZIDX-CFRMEGHHSA-N 0 0 407.498 5.647 40 30 HKEBRN CCN(CC)c1ccc(C=[NH+][N-]c2ccc(C(F)(F)F)cn2)cc1Br ZINC000409096694 558932066 /nfs/dbraw/zinc/93/20/66/558932066.db2.gz KJIQISBAGGBMMN-AUEPDCJTSA-N 0 0 415.257 5.155 40 30 HKEBRN CCCN1C(=O)/C(=C/c2ccc(N3CCCC3)c(F)c2)SC1=Nc1ccccc1 ZINC000409096732 558932037 /nfs/dbraw/zinc/93/20/37/558932037.db2.gz LWTMCKDZFGPSEA-QWKKMKHHSA-N 0 0 409.530 5.440 40 30 HKEBRN O=[N+]([O-])c1cccnc1N=NCc1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000409096795 558932062 /nfs/dbraw/zinc/93/20/62/558932062.db2.gz MBJLCGHEDHOOEK-FOKLQQMPSA-N 0 0 417.252 5.322 40 30 HKEBRN CCOc1cc2c(cc1/C=N\c1ccc(Sc3ccc([N+](=O)[O-])cc3)cc1)OCO2 ZINC000409096927 560675951 /nfs/dbraw/zinc/67/59/51/560675951.db2.gz MOIJOLNLUSJMNV-QRVIBDJDSA-N 0 0 422.462 5.624 40 30 HKEBRN COc1ccc2ccc(OC)c(CN=Nc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2c1 ZINC000409097059 560675962 /nfs/dbraw/zinc/67/59/62/560675962.db2.gz LLIHGUVUECSBDU-BHGWPJFGSA-N 0 0 419.359 5.230 40 30 HKEBRN Cc1cc(CN=Nc2ccc(C(F)(F)F)cn2)c(C)n1-c1ccc(N(C)C)cc1 ZINC000409097282 558932316 /nfs/dbraw/zinc/93/23/16/558932316.db2.gz MALMUWJNRXULOK-RPPGKUMJSA-N 0 0 401.436 5.020 40 30 HKEBRN C#CCOc1c(Cl)cc(/C=C2\C(=O)Nc3cc(C(F)(F)F)ccc32)cc1Cl ZINC000409097450 560675992 /nfs/dbraw/zinc/67/59/92/560675992.db2.gz IKVWTVMNOKKHPW-MLPAPPSSSA-N 0 0 412.194 5.517 40 30 HKEBRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1[N-][NH+]=Cc1ccc(N2CCCCC2)c(F)c1 ZINC000409097549 560676040 /nfs/dbraw/zinc/67/60/40/560676040.db2.gz MMPQRMXBTRRIDA-WYMPLXKRSA-N 0 0 410.371 5.189 40 30 HKEBRN O=[N+]([O-])c1cccnc1N=NCc1cn(Cc2ccc(Cl)cc2)c2ccccc12 ZINC000409097572 560676046 /nfs/dbraw/zinc/67/60/46/560676046.db2.gz OIKMZVSIDFUMPC-WYMPLXKRSA-N 0 0 405.845 5.092 40 30 HKEBRN O=[N+]([O-])c1cccc(COc2ccccc2CN=Nc2ccc(C(F)(F)F)cn2)c1 ZINC000409097654 558932312 /nfs/dbraw/zinc/93/23/12/558932312.db2.gz NCAWNGGNQRCBES-OPEKNORGSA-N 0 0 416.359 5.034 40 30 HKEBRN FC(F)(F)c1ccc(N=NCc2ccc(-c3cccc(Br)c3)o2)nc1 ZINC000409097741 558932303 /nfs/dbraw/zinc/93/23/03/558932303.db2.gz HCOWUYKBLDYTDZ-AUEPDCJTSA-N 0 0 410.193 5.569 40 30 HKEBRN Clc1ccc(Sc2ccc(/C=N/c3ccc(Br)cc3)cc2)cc1 ZINC000409098364 558931861 /nfs/dbraw/zinc/93/18/61/558931861.db2.gz ONKOXNUTJWCFJY-LPYMAVHISA-N 0 0 402.744 7.004 40 30 HKEBRN COc1ccccc1Oc1ccc(NC=CC(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000409098394 558932047 /nfs/dbraw/zinc/93/20/47/558932047.db2.gz PTXAASIDOMELME-FMQUCBEESA-N 0 0 421.496 6.963 40 30 HKEBRN CCOc1ccc(N=C2NC(=O)/C(=C/c3cc(Cl)ccc3OCC)S2)cc1 ZINC000409098430 560676266 /nfs/dbraw/zinc/67/62/66/560676266.db2.gz LMTZOBSYEDZGFM-PDGQHHTCSA-N 0 0 402.903 5.029 40 30 HKEBRN C=CCOc1ccc(Br)cc1/C=C1\C(=O)Nc2cc(C(F)(F)F)ccc21 ZINC000409098485 560676275 /nfs/dbraw/zinc/67/62/75/560676275.db2.gz QLJYOTCAKHIKDZ-DHDCSXOGSA-N 0 0 424.216 5.525 40 30 HKEBRN C=CCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(N(CC)CC)cc3)c2C)C1=O ZINC000409098572 558932447 /nfs/dbraw/zinc/93/24/47/558932447.db2.gz IUUHTQGUUMUTHP-RCCKNPSSSA-N 0 0 409.555 5.163 40 30 HKEBRN C=CCOc1c(Cl)cc(/C=C2/c3ccc(C(F)(F)F)cc3NC2=O)cc1OCC ZINC000409098670 560676384 /nfs/dbraw/zinc/67/63/84/560676384.db2.gz RBGARWLNSGSZRZ-NVNXTCNLSA-N 0 0 423.818 5.815 40 30 HKEBRN COc1cccc(Oc2ccc(NC=CC(=O)c3ccc(Cl)cc3Cl)cc2)c1 ZINC000409098870 558932242 /nfs/dbraw/zinc/93/22/42/558932242.db2.gz MLWZYXKNTBNGSY-VAWYXSNFSA-N 0 0 414.288 6.603 40 30 HKEBRN COc1cc(N2CCCC2)c(OC)cc1/C=N/c1ccc(Br)c(Cl)c1 ZINC000409098975 558932301 /nfs/dbraw/zinc/93/23/01/558932301.db2.gz NBWRZIROXHCFPK-WSDLNYQXSA-N 0 0 423.738 5.471 40 30 HKEBRN CCOc1cc(Cl)c(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1OC ZINC000409099080 560676373 /nfs/dbraw/zinc/67/63/73/560676373.db2.gz PZFNYOSDVVRLDE-LSFURLLWSA-N 0 0 417.771 5.120 40 30 HKEBRN COc1cc(N2CCCC2)c(OC)cc1/C=N/c1ccc(Nc2ccccc2)cc1 ZINC000409099264 560676376 /nfs/dbraw/zinc/67/63/76/560676376.db2.gz KPZNJWNZYCWNQG-NLRVBDNBSA-N 0 0 401.510 5.798 40 30 HKEBRN CC[C@@H](C)n1cc(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c2ccccc21 ZINC000409099273 560676375 /nfs/dbraw/zinc/67/63/75/560676375.db2.gz KSGGIDORSAIXJG-DDFZXGMKSA-N 0 0 404.392 5.985 40 30 HKEBRN CC[C@H](C)n1cc(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c2ccccc21 ZINC000409099275 560676364 /nfs/dbraw/zinc/67/63/64/560676364.db2.gz KSGGIDORSAIXJG-DKZNWEEVSA-N 0 0 404.392 5.985 40 30 HKEBRN C=CCN1C(=O)S/C(=C/c2c(OCc3ccc(F)cc3)ccc3ccccc32)C1=O ZINC000409099494 558932989 /nfs/dbraw/zinc/93/29/89/558932989.db2.gz SZMRSQDFVUBCMR-HYARGMPZSA-N 0 0 419.477 5.780 40 30 HKEBRN Cc1ccc(Cl)cc1-c1ccc(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])o1 ZINC000409099518 558933010 /nfs/dbraw/zinc/93/30/10/558933010.db2.gz TYCCIVHYLIHCNJ-YSURURNPSA-N 0 0 423.778 6.281 40 30 HKEBRN COc1ccc(Oc2ccc(NC=CC(=O)c3ccc(Br)cc3)cc2)cc1 ZINC000409099524 558932995 /nfs/dbraw/zinc/93/29/95/558932995.db2.gz OBOIZMWJZNOZDJ-CCEZHUSRSA-N 0 0 424.294 6.059 40 30 HKEBRN O=C(C=CNc1ccc(Oc2ccccc2Cl)cc1)c1ccc(Cl)cc1Cl ZINC000409099545 558932967 /nfs/dbraw/zinc/93/29/67/558932967.db2.gz UCRRPWVROYIOCW-VAWYXSNFSA-N 0 0 418.707 7.248 40 30 HKEBRN C=CCN1C(=O)S/C(=C/c2ccccc2OCc2cccc3ccccc32)C1=O ZINC000409099779 558932943 /nfs/dbraw/zinc/93/29/43/558932943.db2.gz UBXDDEKDBZXEQW-PXLXIMEGSA-N 0 0 401.487 5.641 40 30 HKEBRN Cc1cc(CN=Nc2ccc(C(F)(F)F)cn2)c(C)n1-c1ccc2ccccc2c1 ZINC000409100095 558932999 /nfs/dbraw/zinc/93/29/99/558932999.db2.gz PULPTPBTKKXBRV-XODNFHPESA-N 0 0 408.427 6.107 40 30 HKEBRN Cc1cc(CN=Nc2ncccc2[N+](=O)[O-])c(C)n1-c1cc(Cl)ccc1Cl ZINC000409100112 558933171 /nfs/dbraw/zinc/93/31/71/558933171.db2.gz PXDYBFIUNXKYTD-LSHDLFTRSA-N 0 0 404.257 5.150 40 30 HKEBRN CCOc1ccc(Cl)cc1/C=N/c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000409100207 560676911 /nfs/dbraw/zinc/67/69/11/560676911.db2.gz ULXZGMVFVDUFBM-OEAKJJBVSA-N 0 0 412.898 6.549 40 30 HKEBRN Cc1cc(N2CCOCC2)ccc1/C=N/c1ccc(Oc2cccc(Cl)c2)cc1 ZINC000409100236 560676931 /nfs/dbraw/zinc/67/69/31/560676931.db2.gz UREDDGQGDRHYQO-YZSQISJMSA-N 0 0 406.913 6.028 40 30 HKEBRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N=NCc1cccn1-c1ccc(Cl)cc1 ZINC000409100329 558933188 /nfs/dbraw/zinc/93/31/88/558933188.db2.gz MTTOHEVHALEFTF-FOKLQQMPSA-N 0 0 408.767 5.504 40 30 HKEBRN Cc1cc(CN=Nc2ccc(C(F)(F)F)cn2)c(C)n1-c1ccc2ncccc2c1 ZINC000409100471 560676915 /nfs/dbraw/zinc/67/69/15/560676915.db2.gz NTCXDADKXZBBDY-KVSWJAHQSA-N 0 0 409.415 5.502 40 30 HKEBRN C#CCOc1ccc2ccccc2c1CN=Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409100581 558933084 /nfs/dbraw/zinc/93/30/84/558933084.db2.gz UZVDLDYCLHDMRF-DHRITJCHSA-N 0 0 413.355 5.225 40 30 HKEBRN COc1cc(N2CCCC2)c(OC)cc1/C=N\c1ccc(C)cc1Br ZINC000409100720 560677034 /nfs/dbraw/zinc/67/70/34/560677034.db2.gz WMHFUAASSRILLO-XKZIYDEJSA-N 0 0 403.320 5.126 40 30 HKEBRN COc1cc(N2CCCCC2)ccc1C=[NH+][N-]c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409100847 560677075 /nfs/dbraw/zinc/67/70/75/560677075.db2.gz XBGAQDARGRPBBQ-ZMOGYAJESA-N 0 0 422.407 5.059 40 30 HKEBRN Cn1cccc1/C=C1\SC(=Nc2ccccc2)N(CCCc2ccccc2)C1=O ZINC000409100958 560677029 /nfs/dbraw/zinc/67/70/29/560677029.db2.gz XKSHKHQIROMJAP-FWSLEZFUSA-N 0 0 401.535 5.262 40 30 HKEBRN COc1cc(/C=C2\Sc3ccccc3NC2=O)ccc1OCc1ccccc1C#N ZINC000409100994 558933218 /nfs/dbraw/zinc/93/32/18/558933218.db2.gz OEOCBGBFCFQWKB-QRVIBDJDSA-N 0 0 414.486 5.231 40 30 HKEBRN Cc1cc(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C)n1-c1ccc(O)cc1 ZINC000409100998 560677050 /nfs/dbraw/zinc/67/70/50/560677050.db2.gz OFBBEBDNDHHBNJ-BHGWPJFGSA-N 0 0 418.375 5.173 40 30 HKEBRN CC[C@H](C)Oc1ccc(CN=Nc2ccc(C(F)(F)F)cn2)cc1Br ZINC000409101118 558933364 /nfs/dbraw/zinc/93/33/64/558933364.db2.gz VMSUTOZVMNMKRY-LGPHULDDSA-N 0 0 416.241 5.486 40 30 HKEBRN CC[C@@H](C)Oc1ccc(CN=Nc2ccc(C(F)(F)F)cn2)cc1Br ZINC000409101119 560677140 /nfs/dbraw/zinc/67/71/40/560677140.db2.gz VMSUTOZVMNMKRY-XARWVIDASA-N 0 0 416.241 5.486 40 30 HKEBRN CCn1c(C)cc(/C=C2\SC(=Nc3ccccc3)N(Cc3ccccc3)C2=O)c1C ZINC000409101127 558933342 /nfs/dbraw/zinc/93/33/42/558933342.db2.gz VQFIJQVZBUEHES-ZYITZIQLSA-N 0 0 415.562 5.929 40 30 HKEBRN CCN1C(=O)S/C(=C/c2c(OCc3ccccc3C#N)ccc3ccccc32)C1=O ZINC000409101147 558933430 /nfs/dbraw/zinc/93/34/30/558933430.db2.gz ABOLTKPYKVLBGB-LPYMAVHISA-N 0 0 414.486 5.347 40 30 HKEBRN COc1cc(N2CCCC2)c(OC)cc1/C=N\c1ccc(Br)cc1C ZINC000409101212 560677143 /nfs/dbraw/zinc/67/71/43/560677143.db2.gz WJBJLVLMUBBQRY-XKZIYDEJSA-N 0 0 403.320 5.126 40 30 HKEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(/N=C/c3ccc(Sc4ncccn4)o3)sc2C1 ZINC000409101214 560677151 /nfs/dbraw/zinc/67/71/51/560677151.db2.gz WJFUDZFQHIEVBT-JUCPORTRSA-N 0 0 422.579 6.056 40 30 HKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(/N=C/c3ccc(Sc4ncccn4)o3)sc2C1 ZINC000409101226 560677155 /nfs/dbraw/zinc/67/71/55/560677155.db2.gz WJFUDZFQHIEVBT-WOLHVBPDSA-N 0 0 422.579 6.056 40 30 HKEBRN Cc1ccc(-n2cccc2CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1Cl ZINC000409101497 558932500 /nfs/dbraw/zinc/93/25/00/558932500.db2.gz YNLFEWDEANXLDM-BHGWPJFGSA-N 0 0 422.794 5.812 40 30 HKEBRN COc1cc(N2CCCC2)c(OC)cc1/C=N/c1ccc(Oc2ccc(C)cc2)cc1 ZINC000409101506 558932499 /nfs/dbraw/zinc/93/24/99/558932499.db2.gz XXTLUBMQDBUHKW-OVVQPSECSA-N 0 0 416.521 6.155 40 30 HKEBRN O=[N+]([O-])c1ccc(-c2ccc(CN=Nc3ccc(C(F)(F)F)cn3)o2)c(Cl)c1 ZINC000409101567 560677162 /nfs/dbraw/zinc/67/71/62/560677162.db2.gz YJFDWMFDZNBUMC-NUGSKGIGSA-N 0 0 410.739 5.368 40 30 HKEBRN C=CCc1cc(/C=C2/SC(=O)N(CC)C2=O)cc(OC)c1OCc1ccc(C)cc1 ZINC000409101602 558932623 /nfs/dbraw/zinc/93/26/23/558932623.db2.gz WNFKTYPQCRKINV-KGENOOAVSA-N 0 0 423.534 5.367 40 30 HKEBRN CCOc1cc2c(cc1/C=N\c1ccc(C34CC5CC(CC(C5)C3)C4)cc1)OCO2 ZINC000409101613 558932693 /nfs/dbraw/zinc/93/26/93/558932693.db2.gz WOEVKLJFFQWUPA-DICXZTSXSA-N 0 0 403.522 6.032 40 30 HKEBRN CCOc1cc(C=NNc2ccc(C(F)(F)F)cn2)cc(Cl)c1O[C@H](C)CC ZINC000409101672 558932644 /nfs/dbraw/zinc/93/26/44/558932644.db2.gz XDAGEBMJIBWERG-LPUHGPTISA-N 0 0 415.843 5.776 40 30 HKEBRN CCOc1cc(C=NNc2ccc(C(F)(F)F)cn2)cc(Cl)c1O[C@@H](C)CC ZINC000409101675 558932627 /nfs/dbraw/zinc/93/26/27/558932627.db2.gz XDAGEBMJIBWERG-LUKCILAXSA-N 0 0 415.843 5.776 40 30 HKEBRN CC[C@H](C)Oc1c(Cl)cc(C=NNc2ccc(C(F)(F)F)cn2)cc1OC ZINC000409101962 560677299 /nfs/dbraw/zinc/67/72/99/560677299.db2.gz ZRVIQDWBTLHQIA-OLLYESQCSA-N 0 0 401.816 5.386 40 30 HKEBRN CC[C@@H](C)Oc1c(Cl)cc(C=NNc2ccc(C(F)(F)F)cn2)cc1OC ZINC000409101966 560677295 /nfs/dbraw/zinc/67/72/95/560677295.db2.gz ZRVIQDWBTLHQIA-PTGPUUDJSA-N 0 0 401.816 5.386 40 30 HKEBRN O=[N+]([O-])c1cccc(COc2ccc(CN=Nc3ccc(C(F)(F)F)cn3)cc2)c1 ZINC000409102005 560677340 /nfs/dbraw/zinc/67/73/40/560677340.db2.gz ZXLMAEMZTIYOFZ-OPEKNORGSA-N 0 0 416.359 5.034 40 30 HKEBRN O=[N+]([O-])c1cccnc1N=NCc1ccc(-c2ccc(Br)c(Cl)c2)o1 ZINC000409102236 560677378 /nfs/dbraw/zinc/67/73/78/560677378.db2.gz VOACSLSIESUIFV-AWQFTUOYSA-N 0 0 421.638 5.112 40 30 HKEBRN CCc1ccc(C(=O)C=CNc2ccc(Br)cc2Br)cc1 ZINC000409102260 558932827 /nfs/dbraw/zinc/93/28/27/558932827.db2.gz YIAYBXRYCULVIG-MDZDMXLPSA-N 0 0 409.121 5.583 40 30 HKEBRN Cc1ccc(Sc2ccc(CN=Nc3ccc(C(F)(F)F)cc3[N+](=O)[O-])o2)cc1 ZINC000409102278 560677401 /nfs/dbraw/zinc/67/74/01/560677401.db2.gz YLYTXNQADYMHDZ-FOKLQQMPSA-N 0 0 421.400 6.112 40 30 HKEBRN Cc1c(CN=Nc2ncccc2[N+](=O)[O-])c2ccccc2n1Cc1ccccc1Cl ZINC000409102292 558932820 /nfs/dbraw/zinc/93/28/20/558932820.db2.gz RNCUUXJZQRKVCB-DHRITJCHSA-N 0 0 419.872 5.401 40 30 HKEBRN COc1cccc(Oc2ccc(NC=CC(=O)c3ccc(Br)cc3)cc2)c1 ZINC000409102401 560677357 /nfs/dbraw/zinc/67/73/57/560677357.db2.gz SPQCDKBQLVWETP-BUHFOSPRSA-N 0 0 424.294 6.059 40 30 HKEBRN COc1cc(N2CCCC2)c(OC)cc1/C=N/c1ccc(Br)c(C)c1 ZINC000409102458 558932810 /nfs/dbraw/zinc/93/28/10/558932810.db2.gz AALPNAXICJYMEC-LPYMAVHISA-N 0 0 403.320 5.126 40 30 HKEBRN C=CCN1C(=O)S/C(=C/c2cc(C)n(-c3cccc(Br)c3)c2C)C1=O ZINC000409102534 558932818 /nfs/dbraw/zinc/93/28/18/558932818.db2.gz DEPUXBMYVRTNDB-LICLKQGHSA-N 0 0 417.328 5.079 40 30 HKEBRN O=[N+]([O-])c1ccc(Cl)c(-c2ccc(CN=Nc3ccc(C(F)(F)F)cn3)o2)c1 ZINC000409102625 558932800 /nfs/dbraw/zinc/93/28/00/558932800.db2.gz DRSIZBIKGLYMQU-NUGSKGIGSA-N 0 0 410.739 5.368 40 30 HKEBRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1[N-][NH+]=Cc1ccc(N2CCCCC2)cc1F ZINC000409102638 560677362 /nfs/dbraw/zinc/67/73/62/560677362.db2.gz ZDMUQZSCTFLUMK-WYMPLXKRSA-N 0 0 410.371 5.189 40 30 HKEBRN C=CCN1C(=O)S/C(=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)C1=O ZINC000409102714 560677463 /nfs/dbraw/zinc/67/74/63/560677463.db2.gz ZKMNPODDRRIDOO-RQZCQDPDSA-N 0 0 407.322 5.623 40 30 HKEBRN Cc1ccc(/N=C\c2ccc(Sc3ccc(Cl)cc3)cc2)c(Br)c1 ZINC000409102743 560677433 /nfs/dbraw/zinc/67/74/33/560677433.db2.gz ZUZUIDNXDZWSLK-QRVIBDJDSA-N 0 0 416.771 7.313 40 30 HKEBRN FC(F)(F)c1ccc(N=NCc2ccc(OCc3ccc(Cl)cc3)cc2)nc1 ZINC000409103031 560677447 /nfs/dbraw/zinc/67/74/47/560677447.db2.gz CRNUSSWWVRYFQB-KBKYJPHKSA-N 0 0 405.807 5.779 40 30 HKEBRN O=[N+]([O-])c1cccnc1N=NCc1cc(Cl)c(OCc2ccccc2)c(Cl)c1 ZINC000409103080 560677440 /nfs/dbraw/zinc/67/74/40/560677440.db2.gz DECMRBQVGFEBHW-FOKLQQMPSA-N 0 0 417.252 5.322 40 30 HKEBRN Fc1cc(/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)ccc1N1CCCC1 ZINC000409103237 558932808 /nfs/dbraw/zinc/93/28/08/558932808.db2.gz XNQABJQNWHNGFG-RDRPBHBLSA-N 0 0 402.557 6.644 40 30 HKEBRN Cc1c(CN=Nc2ccc(C(F)(F)F)cn2)c2ccccc2n1Cc1ccccc1 ZINC000409103254 558932816 /nfs/dbraw/zinc/93/28/16/558932816.db2.gz GCPKIAHCBJPNOP-CCVNUDIWSA-N 0 0 408.427 5.858 40 30 HKEBRN COc1ccccc1Oc1ccc(NC=CC(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000409103329 560677548 /nfs/dbraw/zinc/67/75/48/560677548.db2.gz GOWKEQOARRHFGH-CCEZHUSRSA-N 0 0 405.450 5.313 40 30 HKEBRN CCCCc1ccc(-n2c(C)cc(CN=Nc3ccc(C(F)(F)F)cn3)c2C)cc1 ZINC000409103398 558932858 /nfs/dbraw/zinc/93/28/58/558932858.db2.gz BHCTXVGQGGYUAL-CCVNUDIWSA-N 0 0 414.475 6.297 40 30 HKEBRN COc1cc(N2CCCC2)c(OC)cc1/C=N/c1ccc(Oc2ccccc2C)cc1 ZINC000409103429 558932829 /nfs/dbraw/zinc/93/28/29/558932829.db2.gz WNQIOQDHDQOXIZ-OVVQPSECSA-N 0 0 416.521 6.155 40 30 HKEBRN COc1ccccc1Oc1ccc(NC=CC(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000409103430 560675501 /nfs/dbraw/zinc/67/55/01/560675501.db2.gz BKHJJFIGNAAXJL-OUKQBFOZSA-N 0 0 414.288 6.603 40 30 HKEBRN N#Cc1c(/N=C/c2ccc(Sc3ncccn3)c([N+](=O)[O-])c2)sc2c1CCCC2 ZINC000409103443 560675504 /nfs/dbraw/zinc/67/55/04/560675504.db2.gz GYWJYUWEWGXWQX-WYMPLXKRSA-N 0 0 421.507 5.099 40 30 HKEBRN FC(F)(F)c1ccc(N=NCc2ccc(-c3ccc(Cl)cc3Cl)o2)nc1 ZINC000409103499 560675539 /nfs/dbraw/zinc/67/55/39/560675539.db2.gz WUMPUEPNHLZCAK-OPVMPGTRSA-N 0 0 400.187 6.113 40 30 HKEBRN C=CCc1cc(/C=C2/SC(=O)N(CC)C2=O)cc(OCC)c1OCc1ccccc1 ZINC000409103804 558932831 /nfs/dbraw/zinc/93/28/31/558932831.db2.gz ZBWZUGFFZYQCAS-RCCKNPSSSA-N 0 0 423.534 5.449 40 30 HKEBRN Cc1cc(CN=Nc2ccc(C(F)(F)F)cn2)c(C)n1-c1cc(Cl)ccc1C ZINC000409104071 558933811 /nfs/dbraw/zinc/93/38/11/558933811.db2.gz IMUFQPYWOGKSOB-NSKAYECMSA-N 0 0 406.839 5.916 40 30 HKEBRN Cc1cc(CN=Nc2ccc(C(F)(F)F)cn2)c(C)n1-c1cccc2ccccc21 ZINC000409104236 560675590 /nfs/dbraw/zinc/67/55/90/560675590.db2.gz GSTGZSHYMKUEPP-XODNFHPESA-N 0 0 408.427 6.107 40 30 HKEBRN O=[N+]([O-])c1cc(/N=C/c2ccc(Sc3ccc(Cl)cc3)cc2)ccc1Cl ZINC000409104398 560675614 /nfs/dbraw/zinc/67/56/14/560675614.db2.gz YWSVAOFFYHOFCM-WSDLNYQXSA-N 0 0 403.290 6.803 40 30 HKEBRN N#Cc1ccccc1Cn1cc(CN=Nc2ccc(C(F)(F)F)cn2)c2ccccc21 ZINC000409104441 558933968 /nfs/dbraw/zinc/93/39/68/558933968.db2.gz ISAXGQDLOUFYHL-XKJRVUDJSA-N 0 0 419.410 5.421 40 30 HKEBRN COc1ccc(Oc2ccc(/N=C/c3ccc(N4CCOCC4)cc3C)cc2)cc1 ZINC000409104512 560675610 /nfs/dbraw/zinc/67/56/10/560675610.db2.gz JILIYAJRCLRGPV-NLRVBDNBSA-N 0 0 402.494 5.383 40 30 HKEBRN COc1ccc(Oc2ccc(NC=CC(=O)c3ccc(OC)c(OC)c3)cc2)cc1 ZINC000409104533 558934008 /nfs/dbraw/zinc/93/40/08/558934008.db2.gz JLTFXQFIWAABQA-CCEZHUSRSA-N 0 0 405.450 5.313 40 30 HKEBRN Cc1cc(CN=Nc2ncccc2[N+](=O)[O-])c(C)n1-c1ccc(Cl)cc1Cl ZINC000409104545 560675600 /nfs/dbraw/zinc/67/56/00/560675600.db2.gz FRIWWZZAZCRFLE-LSHDLFTRSA-N 0 0 404.257 5.150 40 30 HKEBRN COc1cc(CN=Nc2ccc(C(F)(F)F)cn2)ccc1OCc1cccc(C)c1 ZINC000409104688 558934054 /nfs/dbraw/zinc/93/40/54/558934054.db2.gz DYVXBMMTJQNXMM-KKMKTNMSSA-N 0 0 415.415 5.442 40 30 HKEBRN O=[N+]([O-])c1cccnc1N=NCc1cn(Cc2ccc3ccccc3c2)c2ccccc12 ZINC000409104802 558934064 /nfs/dbraw/zinc/93/40/64/558934064.db2.gz FNZDWGBXIYRTRS-JFLMPSFJSA-N 0 0 421.460 5.592 40 30 HKEBRN C=CCOc1c(Cl)cc(/C=C2/c3ccc(C(F)(F)F)cc3NC2=O)cc1OC ZINC000409104997 560678326 /nfs/dbraw/zinc/67/83/26/560678326.db2.gz LUJTXPRTTQHTDA-AUWJEWJLSA-N 0 0 409.791 5.425 40 30 HKEBRN FC(F)(F)c1ccc(N=NCc2ccc(OCc3cccc4ccccc43)cc2)nc1 ZINC000409105132 558934231 /nfs/dbraw/zinc/93/42/31/558934231.db2.gz GOUWBGMTBVEJLQ-IPPBACCNSA-N 0 0 421.422 6.279 40 30 HKEBRN O=[N+]([O-])c1cc(-c2ccc(CN=Nc3ccc(C(F)(F)F)cn3)o2)ccc1Cl ZINC000409105158 558934189 /nfs/dbraw/zinc/93/41/89/558934189.db2.gz JKJBYOOQPFTUDE-AQHIEDMUSA-N 0 0 410.739 5.368 40 30 HKEBRN N#Cc1ccccc1-c1ccc(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])o1 ZINC000409105164 558934187 /nfs/dbraw/zinc/93/41/87/558934187.db2.gz JKRGJHPCJWADQS-BHGWPJFGSA-N 0 0 400.316 5.191 40 30 HKEBRN CCOc1cc(C=NNc2ccc(C(F)(F)F)cn2)cc(Cl)c1OC(C)C ZINC000409105262 560678375 /nfs/dbraw/zinc/67/83/75/560678375.db2.gz KIEZSMOHZWNLLG-PGGKNCGUSA-N 0 0 401.816 5.386 40 30 HKEBRN Clc1ccc(Sc2ccc(/C=N/c3ccc(Oc4ccccc4)cc3)cc2)cc1 ZINC000409105536 558934223 /nfs/dbraw/zinc/93/42/23/558934223.db2.gz KVPLPYLFUPVZIH-OVVQPSECSA-N 0 0 415.945 8.034 40 30 HKEBRN O=[N+]([O-])c1ccc(COc2ccccc2CN=Nc2ccc(C(F)(F)F)cn2)cc1 ZINC000409105762 560678371 /nfs/dbraw/zinc/67/83/71/560678371.db2.gz KIYCUVUFRJVDAL-OPEKNORGSA-N 0 0 416.359 5.034 40 30 HKEBRN N#Cc1ccccc1COc1ccc2ccccc2c1CN=Nc1ncccc1[N+](=O)[O-] ZINC000409106031 558933524 /nfs/dbraw/zinc/93/35/24/558933524.db2.gz MDLAZBOFEXHALD-JFLMPSFJSA-N 0 0 423.432 5.040 40 30 HKEBRN CCOc1ccc2ccccc2c1CN=Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409106263 558934884 /nfs/dbraw/zinc/93/48/84/558934884.db2.gz QPZNIPXWFPSVDV-WYMPLXKRSA-N 0 0 403.360 5.612 40 30 HKEBRN N#Cc1ccc(Cn2cc(/C=C3\Sc4ccccc4NC3=O)c3ccccc32)cc1 ZINC000409106371 558934830 /nfs/dbraw/zinc/93/48/30/558934830.db2.gz RPLXTXWBMVNRCL-CFRMEGHHSA-N 0 0 407.498 5.647 40 30 HKEBRN O=[N+]([O-])c1cc(C=NNc2ccc(C(F)(F)F)cn2)ccc1OCc1ccccc1 ZINC000409106491 558935101 /nfs/dbraw/zinc/93/51/01/558935101.db2.gz NQMRREBDZRDRLG-OPEKNORGSA-N 0 0 416.359 5.034 40 30 HKEBRN FC(F)(F)c1ccc(N=NCc2ccc(-c3ccc(Br)cc3)o2)nc1 ZINC000409106546 560678505 /nfs/dbraw/zinc/67/85/05/560678505.db2.gz MONLMDYAGCOUGP-RMORIDSASA-N 0 0 410.193 5.569 40 30 HKEBRN CCOc1ccc(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c2ccccc12 ZINC000409106678 558935058 /nfs/dbraw/zinc/93/50/58/558935058.db2.gz SKBUACOPPTXHNY-WYMPLXKRSA-N 0 0 403.360 5.612 40 30 HKEBRN COc1c(Cl)cc(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1Cl ZINC000409106689 558935062 /nfs/dbraw/zinc/93/50/62/558935062.db2.gz SNCGEECGZRHVGE-QPSGOUHRSA-N 0 0 408.163 5.375 40 30 HKEBRN FC(F)(F)c1ccc(N=NCc2ccc(OCc3ccc4ccccc4c3)cc2)nc1 ZINC000409106741 558935051 /nfs/dbraw/zinc/93/50/51/558935051.db2.gz UBMKSUGZMRTWRV-IPPBACCNSA-N 0 0 421.422 6.279 40 30 HKEBRN CCOc1c(Cl)cc(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1OC ZINC000409107227 560678638 /nfs/dbraw/zinc/67/86/38/560678638.db2.gz RBYABSGSZOMLDQ-LSFURLLWSA-N 0 0 417.771 5.120 40 30 HKEBRN COc1ccc(Oc2ccc(NC=CC(=O)c3ccc(-c4ccccc4)cc3)cc2)cc1 ZINC000409107379 558934425 /nfs/dbraw/zinc/93/44/25/558934425.db2.gz RIHZAXCTXMURTF-FMQUCBEESA-N 0 0 421.496 6.963 40 30 HKEBRN C=CCN1C(=O)S/C(=C/c2c(C)n(Cc3ccc(Cl)cc3)c3ccccc23)C1=O ZINC000409107466 558934384 /nfs/dbraw/zinc/93/43/84/558934384.db2.gz VTWAVHJOWPERGB-FYJGNVAPSA-N 0 0 422.937 5.874 40 30 HKEBRN Cc1cc(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C)n1-c1cccc(F)c1 ZINC000409107514 560678674 /nfs/dbraw/zinc/67/86/74/560678674.db2.gz WOIVWRMMZVOVPX-OPEKNORGSA-N 0 0 420.366 5.606 40 30 HKEBRN C=CCN1C(=O)S/C(=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)C1=O ZINC000409107551 560678690 /nfs/dbraw/zinc/67/86/90/560678690.db2.gz SDFRVKUFEVYDOY-MHWRWJLKSA-N 0 0 407.322 5.623 40 30 HKEBRN C=CCN1C(=O)S/C(=C/c2ccc(OCc3ccc(F)cc3)c(OCC)c2)C1=O ZINC000409107887 560678782 /nfs/dbraw/zinc/67/87/82/560678782.db2.gz XPUAORMBULEFIA-DEDYPNTBSA-N 0 0 413.470 5.026 40 30 HKEBRN Cc1ccc(COc2ccc3ccccc3c2CN=Nc2ncccc2[N+](=O)[O-])cc1 ZINC000409107923 558934625 /nfs/dbraw/zinc/93/46/25/558934625.db2.gz YEEMOUVPCBXCCN-CVKSISIWSA-N 0 0 412.449 5.476 40 30 HKEBRN C=CCOc1c(Br)cc(/C=C2\Sc3ccccc3NC2=O)cc1OC ZINC000409108345 560678911 /nfs/dbraw/zinc/67/89/11/560678911.db2.gz WHFPXXQMSACINL-BOPFTXTBSA-N 0 0 418.312 5.108 40 30 HKEBRN CC(=O)c1ccc(-c2ccc(CN=Nc3ccc(C(F)(F)F)cc3[N+](=O)[O-])o2)cc1 ZINC000409108385 558934821 /nfs/dbraw/zinc/93/48/21/558934821.db2.gz XEEQCZTVGLVEPX-BHGWPJFGSA-N 0 0 417.343 5.522 40 30 HKEBRN Cc1cc(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C)n1Cc1ccccc1 ZINC000409108646 558936550 /nfs/dbraw/zinc/93/65/50/558936550.db2.gz XWJBNAYWIPQCHI-BRJLIKDPSA-N 0 0 416.403 5.526 40 30 HKEBRN COc1cc2c(cc1/C=N\c1ccc(Sc3ccc([N+](=O)[O-])cc3)cc1)OCO2 ZINC000409108678 558936514 /nfs/dbraw/zinc/93/65/14/558936514.db2.gz YKYLQRBNMQIJPE-UUYOSTAYSA-N 0 0 408.435 5.234 40 30 HKEBRN C=CCc1cc(CNc2cccc(C)c2)cc(OCC)c1OCc1ccc(F)cc1 ZINC000409109288 558935359 /nfs/dbraw/zinc/93/53/59/558935359.db2.gz AZVULHKNPSAPQS-UHFFFAOYSA-N 0 0 405.513 6.452 40 30 HKEBRN C=CCOc1c(Br)cc(CNc2ccccc2C)cc1Br ZINC000409109292 560677633 /nfs/dbraw/zinc/67/76/33/560677633.db2.gz BALUIZMIJPDKGD-UHFFFAOYSA-N 0 0 411.137 5.697 40 30 HKEBRN C=CCc1cc(CNc2ccccc2)cc(OCC)c1OCc1ccc(Cl)cc1 ZINC000409109365 560677620 /nfs/dbraw/zinc/67/76/20/560677620.db2.gz CGPYMZPACDPTII-UHFFFAOYSA-N 0 0 407.941 6.658 40 30 HKEBRN CC(=O)Nc1ccccc1Sc1ccc([N+](=O)[O-])cc1/C=N\c1ccc(O)cc1 ZINC000409109545 560677649 /nfs/dbraw/zinc/67/76/49/560677649.db2.gz HARCZCCPCJZRIQ-XKZIYDEJSA-N 0 0 407.451 5.161 40 30 HKEBRN C=CCc1cc(CNc2cccc(C)c2)cc(OCC)c1OCc1ccc(Cl)cc1 ZINC000409109597 558935517 /nfs/dbraw/zinc/93/55/17/558935517.db2.gz HZVJJQVFAUHDEA-UHFFFAOYSA-N 0 0 421.968 6.967 40 30 HKEBRN C=CCc1cc(CNc2ccc(OCC)cc2)cc(OC)c1OCc1cccc(F)c1 ZINC000409109643 560677630 /nfs/dbraw/zinc/67/76/30/560677630.db2.gz IQVPNTCMAPSIPH-UHFFFAOYSA-N 0 0 421.512 6.153 40 30 HKEBRN C=CCc1cc(CNc2ccc(CC)cc2)cc(OCC)c1OCc1cccc(F)c1 ZINC000409109667 560677635 /nfs/dbraw/zinc/67/76/35/560677635.db2.gz IYJWEUBRJPWKHG-UHFFFAOYSA-N 0 0 419.540 6.706 40 30 HKEBRN C=CCOc1c(Br)cc(CNc2cc(Cl)ccc2C)cc1OCC ZINC000409109737 558935693 /nfs/dbraw/zinc/93/56/93/558935693.db2.gz KDUKQCUHKVNDEM-UHFFFAOYSA-N 0 0 410.739 5.987 40 30 HKEBRN CC(C)CN1c2ccccc2/C(=C/c2ccccc2OCc2ccccc2C#N)C1=O ZINC000409109799 558935662 /nfs/dbraw/zinc/93/56/62/558935662.db2.gz LRRRXZPLWFPNRC-IWIPYMOSSA-N 0 0 408.501 5.680 40 30 HKEBRN C=CCc1cc(CNc2ccc(CC)cc2)cc(OC)c1OCc1cccc(F)c1 ZINC000409109834 558935649 /nfs/dbraw/zinc/93/56/49/558935649.db2.gz MKBHBTFVIROCJW-UHFFFAOYSA-N 0 0 405.513 6.316 40 30 HKEBRN CCOC(=O)c1ccc(/N=C\c2cc([N+](=O)[O-])ccc2Sc2ccc(C)cc2)cc1 ZINC000409109932 558935874 /nfs/dbraw/zinc/93/58/74/558935874.db2.gz OCMMHUDLVBGRPD-IWIPYMOSSA-N 0 0 420.490 5.982 40 30 HKEBRN C=CCc1cc(CNc2ccc(C)c(C)c2)cc(OC)c1OCc1cccc(F)c1 ZINC000409109969 560677760 /nfs/dbraw/zinc/67/77/60/560677760.db2.gz OTKCQAYWRNDFJK-UHFFFAOYSA-N 0 0 405.513 6.371 40 30 HKEBRN C=CCc1cc(CNc2ccc(C)c(C)c2)cc(OCC)c1OCc1ccc(C)cc1 ZINC000409110093 560677727 /nfs/dbraw/zinc/67/77/27/560677727.db2.gz RDRPXERNNOJLSA-UHFFFAOYSA-N 0 0 415.577 6.930 40 30 HKEBRN C=CCc1cc(CNc2cc(C)ccc2C)cc(OC)c1OCc1ccccc1F ZINC000409110117 558935854 /nfs/dbraw/zinc/93/58/54/558935854.db2.gz ROMBLSOJBGJJGK-UHFFFAOYSA-N 0 0 405.513 6.371 40 30 HKEBRN C=CCc1cc(CNc2ccc(OCC)cc2)cc(OC)c1OCc1ccccc1 ZINC000409110337 558936104 /nfs/dbraw/zinc/93/61/04/558936104.db2.gz URTTWMWPQRODQQ-UHFFFAOYSA-N 0 0 403.522 6.014 40 30 HKEBRN C=CCc1cc(CNc2cccc(Cl)c2C)cc(OC)c1OCc1ccccc1 ZINC000409110426 560677848 /nfs/dbraw/zinc/67/78/48/560677848.db2.gz VZCLSBFHHXNBJM-UHFFFAOYSA-N 0 0 407.941 6.577 40 30 HKEBRN CCOC(=O)c1ccc(/N=C\c2cc([N+](=O)[O-])ccc2Sc2ccccc2)cc1 ZINC000409110430 558936056 /nfs/dbraw/zinc/93/60/56/558936056.db2.gz BYIGKBPSXOGVSN-HAHDFKILSA-N 0 0 406.463 5.673 40 30 HKEBRN C=CCc1cc(CNc2ccc(C)cc2C)cc(OC)c1OCc1ccc(C)cc1 ZINC000409110474 558936021 /nfs/dbraw/zinc/93/60/21/558936021.db2.gz WHXUQVWCGRPMKM-UHFFFAOYSA-N 0 0 401.550 6.540 40 30 HKEBRN C=CCc1cc(CNc2ccc(CC)cc2)cc(OC)c1OCc1cccc(Cl)c1 ZINC000409110628 560677836 /nfs/dbraw/zinc/67/78/36/560677836.db2.gz FMEKFRYBEKNKNB-UHFFFAOYSA-N 0 0 421.968 6.831 40 30 HKEBRN C#CCOc1c(Br)cc(Br)cc1CNc1cccc(C)c1C ZINC000409110693 558936237 /nfs/dbraw/zinc/93/62/37/558936237.db2.gz XTZBCOKSSBYJLB-UHFFFAOYSA-N 0 0 423.148 5.453 40 30 HKEBRN C=CCc1cc(CNc2ccccc2CC)cc(OC)c1OCc1cccc(F)c1 ZINC000409110708 560677841 /nfs/dbraw/zinc/67/78/41/560677841.db2.gz GBARSAHOAXDXJH-UHFFFAOYSA-N 0 0 405.513 6.316 40 30 HKEBRN C#CCOc1c(Br)cc(Br)cc1CNc1ccc(C)c(C)c1 ZINC000409110775 560677846 /nfs/dbraw/zinc/67/78/46/560677846.db2.gz YLQOATWLFVAHBL-UHFFFAOYSA-N 0 0 423.148 5.453 40 30 HKEBRN C=CCc1cc(CNc2ccccc2C)cc(OCC)c1OCc1ccccc1F ZINC000409110809 558936420 /nfs/dbraw/zinc/93/64/20/558936420.db2.gz ABACTLQZVJMUQW-UHFFFAOYSA-N 0 0 405.513 6.452 40 30 HKEBRN O=[N+]([O-])c1ccc(Sc2ccc(Cl)cc2)c(/C=N\c2cccc(Cl)c2)c1 ZINC000409110840 560677951 /nfs/dbraw/zinc/67/79/51/560677951.db2.gz ALPMWZJUXYMDGZ-UUYOSTAYSA-N 0 0 403.290 6.803 40 30 HKEBRN C=CCc1cc(CNc2ccccc2)cc(OCC)c1OCc1cccc(Cl)c1 ZINC000409110855 558936427 /nfs/dbraw/zinc/93/64/27/558936427.db2.gz ZCKYXKQLYBKEFT-UHFFFAOYSA-N 0 0 407.941 6.658 40 30 HKEBRN C=CCc1cc(CNc2ccc(C)c(Cl)c2)cc(OC)c1OCc1ccc(C)cc1 ZINC000409110910 558936553 /nfs/dbraw/zinc/93/65/53/558936553.db2.gz ZOFGKNQRFROHMJ-UHFFFAOYSA-N 0 0 421.968 6.885 40 30 HKEBRN C=CCc1cc(CNc2cccc(C)c2C)cc(OC)c1OCc1ccc(C)cc1 ZINC000409110999 560677944 /nfs/dbraw/zinc/67/79/44/560677944.db2.gz ADUBXZGQCZQKRC-UHFFFAOYSA-N 0 0 401.550 6.540 40 30 HKEBRN COC(=O)c1ccc(/N=C\c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)cc1 ZINC000409111171 560677935 /nfs/dbraw/zinc/67/79/35/560677935.db2.gz APTIKPKGQTZQBF-UCQKPKSFSA-N 0 0 406.463 5.592 40 30 HKEBRN C=CCc1cc(CNc2ccc(CC)cc2)cc(OCC)c1OCc1ccccc1 ZINC000409111200 560677906 /nfs/dbraw/zinc/67/79/06/560677906.db2.gz BLTMXUNGZIHBJP-UHFFFAOYSA-N 0 0 401.550 6.567 40 30 HKEBRN C=CCc1cc(CNc2ccc(C)cc2)cc(OCC)c1OCc1cccc(F)c1 ZINC000409111265 558937040 /nfs/dbraw/zinc/93/70/40/558937040.db2.gz BBYQRRDNPBFHMP-UHFFFAOYSA-N 0 0 405.513 6.452 40 30 HKEBRN C#CCOc1c(Br)cc(CNc2cccc(Cl)c2C)cc1OCC ZINC000409111272 558937014 /nfs/dbraw/zinc/93/70/14/558937014.db2.gz BXULYZKKWUGVNO-UHFFFAOYSA-N 0 0 408.723 5.434 40 30 HKEBRN C=CCc1cc(CNc2ccc(C)c(C)c2)cc(OC)c1OCc1ccccc1F ZINC000409111317 558937042 /nfs/dbraw/zinc/93/70/42/558937042.db2.gz HTSOZSNKBGCHNB-UHFFFAOYSA-N 0 0 405.513 6.371 40 30 HKEBRN C=CCc1cc(CNc2ccccc2C)cc(OCC)c1OCc1cccc(F)c1 ZINC000409111371 558937270 /nfs/dbraw/zinc/93/72/70/558937270.db2.gz CCWJDYHBGJSRGN-UHFFFAOYSA-N 0 0 405.513 6.452 40 30 HKEBRN C#CCOc1c(Br)cc(Br)cc1CNc1cc(C)ccc1C ZINC000409111422 558937257 /nfs/dbraw/zinc/93/72/57/558937257.db2.gz CNPIILNYQZLOOT-UHFFFAOYSA-N 0 0 423.148 5.453 40 30 HKEBRN C=CCc1cc(CNc2cccc(C)c2C)cc(OCC)c1OCc1ccc(C)cc1 ZINC000409111431 560677991 /nfs/dbraw/zinc/67/79/91/560677991.db2.gz CGOAONGDDZJRSZ-UHFFFAOYSA-N 0 0 415.577 6.930 40 30 HKEBRN C=CCOc1c(Br)cc(CNc2ccc(C)cc2)cc1Br ZINC000409111447 560678017 /nfs/dbraw/zinc/67/80/17/560678017.db2.gz IUCTWYVNRXNQHI-UHFFFAOYSA-N 0 0 411.137 5.697 40 30 HKEBRN C=CCc1cc(CNc2cccc(C)c2)cc(OCC)c1OCc1ccccc1Cl ZINC000409111507 560678015 /nfs/dbraw/zinc/67/80/15/560678015.db2.gz JAWNQLOFVAQABF-UHFFFAOYSA-N 0 0 421.968 6.967 40 30 HKEBRN C=CCc1cc(CNc2ccc(CC)cc2)cc(OCC)c1OCc1ccccc1F ZINC000409111615 558937379 /nfs/dbraw/zinc/93/73/79/558937379.db2.gz DMNSGWGALMFYOD-UHFFFAOYSA-N 0 0 419.540 6.706 40 30 HKEBRN C=CCSc1nc2sc(CCC)c(C)c2c(=O)n1-c1ccc(OCC)cc1 ZINC000409111616 560677982 /nfs/dbraw/zinc/67/79/82/560677982.db2.gz DBOLKTOGDGTMTF-UHFFFAOYSA-N 0 0 400.569 5.385 40 30 HKEBRN C=CCc1cc(CNc2ccc(OCC)cc2)cc(OC)c1OCc1ccc(C)cc1 ZINC000409111808 558937405 /nfs/dbraw/zinc/93/74/05/558937405.db2.gz CHDAAASGSLSESF-UHFFFAOYSA-N 0 0 417.549 6.322 40 30 HKEBRN C=CCc1cc(CNc2cc(Cl)ccc2C)cc(OC)c1OCc1ccc(C)cc1 ZINC000409111811 558937339 /nfs/dbraw/zinc/93/73/39/558937339.db2.gz CUWHODJPTSPBKR-UHFFFAOYSA-N 0 0 421.968 6.885 40 30 HKEBRN O=[N+]([O-])c1cc(/C=N\c2cccc(Cl)c2)ccc1Sc1ccc(Cl)cc1 ZINC000409111917 558937229 /nfs/dbraw/zinc/93/72/29/558937229.db2.gz ACHJSXYMWVHUMF-UUYOSTAYSA-N 0 0 403.290 6.803 40 30 HKEBRN C=CCc1cc(CNc2ccc(C)cc2)cc(OCC)c1OCc1ccccc1F ZINC000409111928 558937222 /nfs/dbraw/zinc/93/72/22/558937222.db2.gz AJOXNKPRSSRKPF-UHFFFAOYSA-N 0 0 405.513 6.452 40 30 HKEBRN C#CCOc1c(Br)cc(CNc2ccc(C)cc2)cc1Br ZINC000409111958 558937255 /nfs/dbraw/zinc/93/72/55/558937255.db2.gz AYQAQVQDLBGPFN-UHFFFAOYSA-N 0 0 409.121 5.144 40 30 HKEBRN C=CCc1cc(CNc2ccc(C)c(C)c2)cc(OC)c1OCc1ccc(C)cc1 ZINC000409112059 558937268 /nfs/dbraw/zinc/93/72/68/558937268.db2.gz ASRIYYKZTUXXKB-UHFFFAOYSA-N 0 0 401.550 6.540 40 30 HKEBRN C=CCc1cc(CNc2ccccc2C)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409112244 560678072 /nfs/dbraw/zinc/67/80/72/560678072.db2.gz BLDDLLOAXHJWJK-UHFFFAOYSA-N 0 0 418.493 5.831 40 30 HKEBRN C=CCc1cc(CNc2cccc(C)c2)cc(OCC)c1OCc1ccc(C)cc1 ZINC000409112251 560678074 /nfs/dbraw/zinc/67/80/74/560678074.db2.gz KXPIMMXAGREXEI-UHFFFAOYSA-N 0 0 401.550 6.622 40 30 HKEBRN C=CCc1cc(CNc2ccc(CC)cc2)cc(OC)c1OCc1ccccc1F ZINC000409112252 558938138 /nfs/dbraw/zinc/93/81/38/558938138.db2.gz FNKWUSBJFUTATL-UHFFFAOYSA-N 0 0 405.513 6.316 40 30 HKEBRN C#CCOc1c(Br)cc(CNc2ccccc2CC)cc1Br ZINC000409112311 558937342 /nfs/dbraw/zinc/93/73/42/558937342.db2.gz FTXCRSOZVGPZLC-UHFFFAOYSA-N 0 0 423.148 5.398 40 30 HKEBRN C=CCOc1c(CC=C)cc(CNc2ccc(Oc3ccccc3)cc2)cc1OCC ZINC000409112317 558937621 /nfs/dbraw/zinc/93/76/21/558937621.db2.gz FVSWMPYEHFEQFB-UHFFFAOYSA-N 0 0 415.533 6.783 40 30 HKEBRN C=CCc1cc(CNc2cccc(C)c2C)cc(OC)c1OCc1cccc(Cl)c1 ZINC000409112486 560678143 /nfs/dbraw/zinc/67/81/43/560678143.db2.gz DACVIQXTHDXGQL-UHFFFAOYSA-N 0 0 421.968 6.885 40 30 HKEBRN O=[N+]([O-])c1ccc(COc2ccc(CN=Nc3ccc(C(F)(F)F)cn3)cc2)cc1 ZINC000409112567 558937615 /nfs/dbraw/zinc/93/76/15/558937615.db2.gz DZGVEIXGXUWOIW-OPEKNORGSA-N 0 0 416.359 5.034 40 30 HKEBRN C=CCc1cc(CNc2ccc(OC)cc2)cc(OC)c1OCc1cccc(Cl)c1 ZINC000409112584 560678147 /nfs/dbraw/zinc/67/81/47/560678147.db2.gz FABPFKCCJFZCDH-UHFFFAOYSA-N 0 0 423.940 6.277 40 30 HKEBRN C=CCc1cc(CNc2cc(C)ccc2C)cc(OC)c1OCc1cccc(Cl)c1 ZINC000409112744 560678154 /nfs/dbraw/zinc/67/81/54/560678154.db2.gz CMSRCHJNLZAYLW-UHFFFAOYSA-N 0 0 421.968 6.885 40 30 HKEBRN COc1cc(/C=C2/c3ccccc3NC2=O)cc(Cl)c1OCc1ccccc1C#N ZINC000409112930 558938244 /nfs/dbraw/zinc/93/82/44/558938244.db2.gz MLQNEJFINYLZSN-GRSHGNNSSA-N 0 0 416.864 5.292 40 30 HKEBRN O=[N+]([O-])c1ccc(Sc2ncccn2)c(/C=N\c2cccc(Br)c2)c1 ZINC000409112962 558938222 /nfs/dbraw/zinc/93/82/22/558938222.db2.gz HJXPORYXQKEQPS-NHDPSOOVSA-N 0 0 415.272 5.049 40 30 HKEBRN C=CCc1cc(CNc2ccc(C)cc2)cc(OCC)c1OCc1cccc(Cl)c1 ZINC000409112967 560678114 /nfs/dbraw/zinc/67/81/14/560678114.db2.gz CYRIZMFLJMTFBI-UHFFFAOYSA-N 0 0 421.968 6.967 40 30 HKEBRN C=CCc1cc(CNc2ccc(OCC)cc2)cc(OC)c1OCc1ccccc1F ZINC000409113059 560678233 /nfs/dbraw/zinc/67/82/33/560678233.db2.gz DINJFSKJEWUYQA-UHFFFAOYSA-N 0 0 421.512 6.153 40 30 HKEBRN C#CCOc1c(Br)cc(CNc2ccc(C)c(C)c2)cc1Br ZINC000409113064 560678258 /nfs/dbraw/zinc/67/82/58/560678258.db2.gz GJIJAICGZMLDHL-UHFFFAOYSA-N 0 0 423.148 5.453 40 30 HKEBRN C#CCOc1c(CC=C)cc(CNc2ccc(Oc3ccccc3)cc2)cc1OCC ZINC000409113077 558938341 /nfs/dbraw/zinc/93/83/41/558938341.db2.gz NJSLEFCDTKNVBI-UHFFFAOYSA-N 0 0 413.517 6.230 40 30 HKEBRN C=CCc1cc(CNc2ccc(C)c(C)c2)cc(OCC)c1OCc1ccccc1F ZINC000409113399 558938449 /nfs/dbraw/zinc/93/84/49/558938449.db2.gz APYLMJGJPZVWTB-UHFFFAOYSA-N 0 0 419.540 6.761 40 30 HKEBRN C=CCc1cc(CNc2ccc(CC)cc2)cc(OC)c1OCc1ccc(Cl)cc1 ZINC000409113429 558938428 /nfs/dbraw/zinc/93/84/28/558938428.db2.gz IDPZFWKPYAVULV-UHFFFAOYSA-N 0 0 421.968 6.831 40 30 HKEBRN C=CCc1cc(CNc2ccccc2CC)cc(OC)c1OCc1cccc(Cl)c1 ZINC000409113496 560678228 /nfs/dbraw/zinc/67/82/28/560678228.db2.gz ILGYSJODJUFUCR-UHFFFAOYSA-N 0 0 421.968 6.831 40 30 HKEBRN C=CCc1cc(CNc2cc(C)ccc2C)cc(OC)c1OCc1ccc(C)cc1 ZINC000409113595 560678238 /nfs/dbraw/zinc/67/82/38/560678238.db2.gz HSGXBDHLCZLJGK-UHFFFAOYSA-N 0 0 401.550 6.540 40 30 HKEBRN C=CCc1cc(CNc2ccc(C)c(C)c2)cc(OCC)c1OCc1cccc(F)c1 ZINC000409113615 560678266 /nfs/dbraw/zinc/67/82/66/560678266.db2.gz HYBBHEMIKNJBKX-UHFFFAOYSA-N 0 0 419.540 6.761 40 30 HKEBRN C=CCc1cc(CNc2cc(Cl)ccc2C)cc(OCC)c1OCc1ccccc1 ZINC000409113616 558938507 /nfs/dbraw/zinc/93/85/07/558938507.db2.gz DVJIKRSJJRRTIO-UHFFFAOYSA-N 0 0 421.968 6.967 40 30 HKEBRN C=CCc1cc(CNc2cccc(Cl)c2C)cc(OCC)c1OCc1ccccc1 ZINC000409113618 558938517 /nfs/dbraw/zinc/93/85/17/558938517.db2.gz DWSGCDRMWHYTTB-UHFFFAOYSA-N 0 0 421.968 6.967 40 30 HKEBRN C=CCc1cc(CNc2ccc(OC)cc2)cc(OCC)c1OCc1ccc(C)cc1 ZINC000409113691 558938681 /nfs/dbraw/zinc/93/86/81/558938681.db2.gz FWAQAPUVBNZDOO-UHFFFAOYSA-N 0 0 417.549 6.322 40 30 HKEBRN C=CCc1cc(CNc2ccc(C)cc2C)cc(OCC)c1OCc1ccccc1F ZINC000409113719 558938764 /nfs/dbraw/zinc/93/87/64/558938764.db2.gz DVQBVCBAALXBQK-UHFFFAOYSA-N 0 0 419.540 6.761 40 30 HKEBRN C=CCOc1c(Cl)cc(CNc2ccc(Oc3ccccc3)cc2)cc1Cl ZINC000409113773 560678335 /nfs/dbraw/zinc/67/83/35/560678335.db2.gz ISYNRZMFJBGKGD-UHFFFAOYSA-N 0 0 400.305 6.963 40 30 HKEBRN C=CCc1cc(CNc2ccccc2)cc(OCC)c1OCc1ccccc1Cl ZINC000409113815 558938247 /nfs/dbraw/zinc/93/82/47/558938247.db2.gz FUDJSLOJNNLPSD-UHFFFAOYSA-N 0 0 407.941 6.658 40 30 HKEBRN C=CCc1cc(CNc2cccc(Cl)c2C)cc(OC)c1OCc1ccc(C)cc1 ZINC000409113871 560678336 /nfs/dbraw/zinc/67/83/36/560678336.db2.gz JFTRBHIAUOVHSK-UHFFFAOYSA-N 0 0 421.968 6.885 40 30 HKEBRN C#CCOc1c(Br)cc(CNc2ccccc2C)cc1Br ZINC000409113904 558939074 /nfs/dbraw/zinc/93/90/74/558939074.db2.gz GGEYHNSAZKPCBY-UHFFFAOYSA-N 0 0 409.121 5.144 40 30 HKEBRN C#CCOc1c(Cl)cc(/C=C2/c3ccccc3N(CC(C)C)C2=O)cc1Cl ZINC000409114043 560678416 /nfs/dbraw/zinc/67/84/16/560678416.db2.gz KHOIAYHAHXXVJI-YVLHZVERSA-N 0 0 400.305 5.549 40 30 HKEBRN O=[N+]([O-])c1ccccc1-c1ccc(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])o1 ZINC000409114056 558939081 /nfs/dbraw/zinc/93/90/81/558939081.db2.gz IIYVIQHWMGFKPX-YVNNLAQVSA-N 0 0 420.303 5.228 40 30 HKEBRN C=CCc1cc(CNc2ccc(C)c(C)c2)cc(OCC)c1OCc1ccc(F)cc1 ZINC000409114117 558938985 /nfs/dbraw/zinc/93/89/85/558938985.db2.gz CKGPNHKGORXCIM-UHFFFAOYSA-N 0 0 419.540 6.761 40 30 HKEBRN C#CCOc1c(Br)cc(CNc2ccc(CC)cc2)cc1Br ZINC000409114215 558939180 /nfs/dbraw/zinc/93/91/80/558939180.db2.gz DQJVXXVSGARGMD-UHFFFAOYSA-N 0 0 423.148 5.398 40 30 HKEBRN C=CCc1cc(CNc2cc(C)ccc2C)cc(OCC)c1OCc1ccccc1F ZINC000409114232 558939171 /nfs/dbraw/zinc/93/91/71/558939171.db2.gz DUVIZVUCTOKLAF-UHFFFAOYSA-N 0 0 419.540 6.761 40 30 HKEBRN C=CCc1cc(CNc2ccc(OC)cc2)cc(OC)c1OCc1ccccc1F ZINC000409114238 558939218 /nfs/dbraw/zinc/93/92/18/558939218.db2.gz GIPGRXYVOYTHLQ-UHFFFAOYSA-N 0 0 407.485 5.763 40 30 HKEBRN C=CCc1cc(CNc2ccccc2CC)cc(OC)c1OCc1ccccc1Cl ZINC000409114393 558939241 /nfs/dbraw/zinc/93/92/41/558939241.db2.gz JKHKQZUKARFJPE-UHFFFAOYSA-N 0 0 421.968 6.831 40 30 HKEBRN C=CCc1cc(CNc2ccc(OC)cc2)cc(OCC)c1OCc1ccccc1 ZINC000409114497 558939490 /nfs/dbraw/zinc/93/94/90/558939490.db2.gz KBBGCGXNCVTEEG-UHFFFAOYSA-N 0 0 403.522 6.014 40 30 HKEBRN CCN1c2ccccc2/C(=C/c2ccc(OCc3ccccc3C#N)c(Cl)c2)C1=O ZINC000409114547 558939736 /nfs/dbraw/zinc/93/97/36/558939736.db2.gz IEQHAJZYRNKEDJ-BKUYFWCQSA-N 0 0 414.892 5.698 40 30 HKEBRN C=CCc1cc(CNc2ccc(C)cc2)cc(OCC)c1OCc1ccccc1Cl ZINC000409114594 558939678 /nfs/dbraw/zinc/93/96/78/558939678.db2.gz HOSWHFGCJNIENO-UHFFFAOYSA-N 0 0 421.968 6.967 40 30 HKEBRN Cc1ccc2c(c1)/C(=C1/S/C(=N/c3ccccc3)N(C3CCCCC3)C1=O)C(=O)N2 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C=CCc1cc(CNc2ccc(CC)cc2)cc(OC)c1OCc1ccc(C)cc1 ZINC000409114924 558940144 /nfs/dbraw/zinc/94/01/44/558940144.db2.gz DZEIJVHMMZIIIH-UHFFFAOYSA-N 0 0 401.550 6.486 40 30 HKEBRN C=CCc1cc(CNc2cccc(C)c2)cc(OC)c1OCc1ccc(Cl)cc1 ZINC000409115018 558940161 /nfs/dbraw/zinc/94/01/61/558940161.db2.gz GMZLKUSDVDGCFL-UHFFFAOYSA-N 0 0 407.941 6.577 40 30 HKEBRN C#CCOc1c(Br)cc(Br)cc1CNc1ccccc1CC ZINC000409115021 558940119 /nfs/dbraw/zinc/94/01/19/558940119.db2.gz GNTUIXFBOAUJQT-UHFFFAOYSA-N 0 0 423.148 5.398 40 30 HKEBRN CC(=O)Nc1ccccc1Sc1ccc([N+](=O)[O-])cc1/C=N\c1ccc(C)cc1 ZINC000409115296 560680225 /nfs/dbraw/zinc/68/02/25/560680225.db2.gz INEMHAATMFHXJX-UCQKPKSFSA-N 0 0 405.479 5.763 40 30 HKEBRN N#Cc1ccccc1COc1c(Cl)cc(/C=C2\C(=O)Nc3ccccc32)cc1Cl ZINC000409115344 558941411 /nfs/dbraw/zinc/94/14/11/558941411.db2.gz RIIQTHRNNWJDEQ-NVMNQCDNSA-N 0 0 421.283 5.937 40 30 HKEBRN C=CCc1cc(CNc2ccccc2C)cc(OC)c1OCc1cccc2ccccc21 ZINC000409115392 558941704 /nfs/dbraw/zinc/94/17/04/558941704.db2.gz MBJKBEYMOBTRAM-UHFFFAOYSA-N 0 0 423.556 7.076 40 30 HKEBRN C=CCc1cc(CNc2ccc(Oc3ccccc3)cc2)cc(OCC)c1OCC ZINC000409115422 558941747 /nfs/dbraw/zinc/94/17/47/558941747.db2.gz JADGKIOJLLEGHX-UHFFFAOYSA-N 0 0 403.522 6.617 40 30 HKEBRN C=CCc1cc(CNc2cccc(C)c2C)cc(OCC)c1OCc1cccc(F)c1 ZINC000409115478 560680186 /nfs/dbraw/zinc/68/01/86/560680186.db2.gz MLNBBQJPNZDDSU-UHFFFAOYSA-N 0 0 419.540 6.761 40 30 HKEBRN CCCN1c2ccccc2/C(=C/c2ccc(OCc3ccccc3C#N)c(OC)c2)C1=O ZINC000409115551 558941278 /nfs/dbraw/zinc/94/12/78/558941278.db2.gz SBGNOCKAUNQRTO-HAHDFKILSA-N 0 0 424.500 5.443 40 30 HKEBRN C=CCc1cc(CNc2ccccc2CC)cc(OCC)c1OCc1ccccc1 ZINC000409115579 558941295 /nfs/dbraw/zinc/94/12/95/558941295.db2.gz JPKMMTFMQCHCEC-UHFFFAOYSA-N 0 0 401.550 6.567 40 30 HKEBRN C=CCc1cc(CNc2cccc(C)c2)cc(OCC)c1OCc1cccc(Cl)c1 ZINC000409115585 560680216 /nfs/dbraw/zinc/68/02/16/560680216.db2.gz MVOLQQOQJHGIAC-UHFFFAOYSA-N 0 0 421.968 6.967 40 30 HKEBRN C=CCc1cc(CNc2ccccc2)cc(OC)c1OCc1cccc2ccccc21 ZINC000409115672 558941537 /nfs/dbraw/zinc/94/15/37/558941537.db2.gz SSTHHOHLBDVRDF-UHFFFAOYSA-N 0 0 409.529 6.768 40 30 HKEBRN C=CCc1cc(CNc2cccc(C)c2)cc(OCC)c1OCc1ccccc1F ZINC000409115683 558941533 /nfs/dbraw/zinc/94/15/33/558941533.db2.gz SUWIELXJSMTGGO-UHFFFAOYSA-N 0 0 405.513 6.452 40 30 HKEBRN C=CCOc1c(Br)cc(Br)cc1CNc1ccc(C)cc1 ZINC000409115698 560680231 /nfs/dbraw/zinc/68/02/31/560680231.db2.gz NOIWTRAMPSLGMI-UHFFFAOYSA-N 0 0 411.137 5.697 40 30 HKEBRN C=CCc1cc(CNc2ccc(C)c(C)c2)cc(OCC)c1OCc1ccccc1 ZINC000409115700 558941550 /nfs/dbraw/zinc/94/15/50/558941550.db2.gz NOQJXMODEJVLDD-UHFFFAOYSA-N 0 0 401.550 6.622 40 30 HKEBRN C=CCc1cc(CNc2ccc(C)cc2)cc(OC)c1OCc1cccc(Cl)c1 ZINC000409115706 560680280 /nfs/dbraw/zinc/68/02/80/560680280.db2.gz NRZPNQPJBDJJQZ-UHFFFAOYSA-N 0 0 407.941 6.577 40 30 HKEBRN C=CCc1cc(CNc2cc(C)ccc2C)cc(OCC)c1OCc1ccc(C)cc1 ZINC000409115822 560680294 /nfs/dbraw/zinc/68/02/94/560680294.db2.gz KXXRQWLTFJSMIR-UHFFFAOYSA-N 0 0 415.577 6.930 40 30 HKEBRN 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401.550 6.486 40 30 HKEBRN CC(=O)Nc1ccccc1Sc1ccc(/C=N\c2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000409117146 558944609 /nfs/dbraw/zinc/94/46/09/558944609.db2.gz NHISLFULSQUCON-UCQKPKSFSA-N 0 0 405.479 5.763 40 30 HKEBRN C#CCOc1c(Br)cc(CNc2ccc(C)c(Cl)c2)cc1OCC ZINC000409117157 558944623 /nfs/dbraw/zinc/94/46/23/558944623.db2.gz NKBHEVXWOLLPTL-UHFFFAOYSA-N 0 0 408.723 5.434 40 30 HKEBRN C=CCc1cc(CNc2ccccc2CC)cc(OC)c1OCc1ccc(Cl)cc1 ZINC000409117288 558944823 /nfs/dbraw/zinc/94/48/23/558944823.db2.gz MTTIFQJUFXEKCJ-UHFFFAOYSA-N 0 0 421.968 6.831 40 30 HKEBRN C=CCOc1c(I)cc(CNc2cccc(C)c2)cc1OCC ZINC000409117328 558945158 /nfs/dbraw/zinc/94/51/58/558945158.db2.gz XKTZONIXWXVWPA-UHFFFAOYSA-N 0 0 423.294 5.175 40 30 HKEBRN C=CCOc1c(Cl)cc(CNc2ccc(Oc3ccccc3)cc2)cc1OCC ZINC000409117433 558945085 /nfs/dbraw/zinc/94/50/85/558945085.db2.gz NMNNNMNHRRCLRM-UHFFFAOYSA-N 0 0 409.913 6.708 40 30 HKEBRN C=CCc1cc(CNc2cccc(C)c2)cc(OC)c1OCc1cccc(Cl)c1 ZINC000409117507 560679054 /nfs/dbraw/zinc/67/90/54/560679054.db2.gz 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C#CCOc1ccc(Br)cc1/C=C1/c2ccccc2N(CC(C)C)C1=O ZINC000409118698 558947166 /nfs/dbraw/zinc/94/71/66/558947166.db2.gz QLXYVEJEXLTQSP-UYRXBGFRSA-N 0 0 410.311 5.004 40 30 HKEBRN C=CCc1cc(CNc2ccccc2CC)cc(OC)c1OCc1ccc(F)cc1 ZINC000409118700 558947159 /nfs/dbraw/zinc/94/71/59/558947159.db2.gz QPLRTIMSXOIXJO-UHFFFAOYSA-N 0 0 405.513 6.316 40 30 HKEBRN C=CCc1cc(CNc2cccc(C)c2C)cc(OCC)c1OCc1ccccc1 ZINC000409118735 558947171 /nfs/dbraw/zinc/94/71/71/558947171.db2.gz QSIPJROCHQTEHJ-UHFFFAOYSA-N 0 0 401.550 6.622 40 30 HKEBRN O=[N+]([O-])c1cc(/C=N\c2cccc(Br)c2)ccc1Sc1ccccc1 ZINC000409118760 558947207 /nfs/dbraw/zinc/94/72/07/558947207.db2.gz QTPHWVBIPNGYPR-BKUYFWCQSA-N 0 0 413.296 6.259 40 30 HKEBRN C=CCc1cc(CNc2ccc(OCC)cc2)cc(OC)c1OCc1ccc(F)cc1 ZINC000409118762 558947247 /nfs/dbraw/zinc/94/72/47/558947247.db2.gz UQEGBSROJUTSLS-UHFFFAOYSA-N 0 0 421.512 6.153 40 30 HKEBRN C=CCOc1c(I)cc(CNc2ccc(C)cc2)cc1OCC ZINC000409118807 558947209 /nfs/dbraw/zinc/94/72/09/558947209.db2.gz UTEXAZRXGPIVFJ-UHFFFAOYSA-N 0 0 423.294 5.175 40 30 HKEBRN C=CCc1cc(CNc2ccccc2CC)cc(OCC)c1OCc1cccc(F)c1 ZINC000409118827 558947309 /nfs/dbraw/zinc/94/73/09/558947309.db2.gz QGOBARDOBQVHGY-UHFFFAOYSA-N 0 0 419.540 6.706 40 30 HKEBRN CCn1c(C)cc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)c1C ZINC000409119019 558947177 /nfs/dbraw/zinc/94/71/77/558947177.db2.gz QVSYSKXWFBWUPX-WMOWQXFYSA-N 0 0 401.535 5.933 40 30 HKEBRN CCN1c2ccccc2/C(=C/c2ccc(OCc3ccccc3C#N)c(OC)c2)C1=O ZINC000409119188 558947372 /nfs/dbraw/zinc/94/73/72/558947372.db2.gz RHZLXDLHJZGLIR-HMAPJEAMSA-N 0 0 410.473 5.053 40 30 HKEBRN C=CCc1cc(CNc2cccc(C)c2)cc(OC)c1OCc1cccc2ccccc21 ZINC000409119232 558947637 /nfs/dbraw/zinc/94/76/37/558947637.db2.gz RYLOVNTWSYXLMH-UHFFFAOYSA-N 0 0 423.556 7.076 40 30 HKEBRN O=[N+]([O-])c1cc(/C=N\c2cccc(Br)c2)ccc1Sc1ncccn1 ZINC000409119296 560679362 /nfs/dbraw/zinc/67/93/62/560679362.db2.gz SQFCZZLGMICCKP-NHDPSOOVSA-N 0 0 415.272 5.049 40 30 HKEBRN COC(=O)c1ccc(/N=C\c2cc([N+](=O)[O-])ccc2Sc2ccc(C)cc2)cc1 ZINC000409119318 560679376 /nfs/dbraw/zinc/67/93/76/560679376.db2.gz WFCCZXJREJINKZ-UCQKPKSFSA-N 0 0 406.463 5.592 40 30 HKEBRN Cc1ccc2c(c1)C(=Nc1sc3c(c1C(=O)Nc1ccccc1)CCCC3)C(=O)N2 ZINC000409119339 560679346 /nfs/dbraw/zinc/67/93/46/560679346.db2.gz SCJDMLMXHZXRPV-UHFFFAOYSA-N 0 0 415.518 5.261 40 30 HKEBRN C=CCOc1c(CC=C)cc(CNc2ccc(Oc3ccccc3)cc2)cc1OC ZINC000409119432 558947978 /nfs/dbraw/zinc/94/79/78/558947978.db2.gz PHYNLKUZZJDNKE-UHFFFAOYSA-N 0 0 401.506 6.393 40 30 HKEBRN C=CCc1cc(CNc2ccc(CC)cc2)cc(OC)c1OCc1ccccc1Cl ZINC000409119476 558948156 /nfs/dbraw/zinc/94/81/56/558948156.db2.gz SLLOFRFIYZZUBI-UHFFFAOYSA-N 0 0 421.968 6.831 40 30 HKEBRN C=CCOc1c(I)cc(CNc2ccc(C)c(C)c2)cc1OC ZINC000409119507 560679436 /nfs/dbraw/zinc/67/94/36/560679436.db2.gz PWCKSGUIRULPMJ-UHFFFAOYSA-N 0 0 423.294 5.094 40 30 HKEBRN C=CCc1cc(CNc2ccc(OC)cc2)cc(OC)c1OCc1cccc(F)c1 ZINC000409119561 558948079 /nfs/dbraw/zinc/94/80/79/558948079.db2.gz SUXFTJQAKIDLKK-UHFFFAOYSA-N 0 0 407.485 5.763 40 30 HKEBRN C=CCc1cc(CNc2ccc(C)cc2)cc(OC)c1OCc1ccc(Cl)cc1 ZINC000409119562 560679427 /nfs/dbraw/zinc/67/94/27/560679427.db2.gz SVTOFKWHXAAAAK-UHFFFAOYSA-N 0 0 407.941 6.577 40 30 HKEBRN C=CCc1cc(CNc2ccc(C)cc2C)cc(OC)c1OCc1ccc(F)cc1 ZINC000409119573 560679430 /nfs/dbraw/zinc/67/94/30/560679430.db2.gz UJNNPOQQJUPDCL-UHFFFAOYSA-N 0 0 405.513 6.371 40 30 HKEBRN C#CCOc1c(Br)cc(CNc2cccc(C)c2)cc1Br ZINC000409119594 558948167 /nfs/dbraw/zinc/94/81/67/558948167.db2.gz PQPQNENMLQHXLF-UHFFFAOYSA-N 0 0 409.121 5.144 40 30 HKEBRN N#Cc1c2c(sc1/N=C/c1ccc(Sc3ccccc3)c([N+](=O)[O-])c1)CCCC2 ZINC000409119599 560679432 /nfs/dbraw/zinc/67/94/32/560679432.db2.gz XCFAALLZZXTRPW-ZVHZXABRSA-N 0 0 419.531 6.309 40 30 HKEBRN Cc1cc(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C)n1-c1ccc(F)cc1 ZINC000409119703 558948321 /nfs/dbraw/zinc/94/83/21/558948321.db2.gz SRTLSTZZLPGNFN-OPEKNORGSA-N 0 0 420.366 5.606 40 30 HKEBRN C=CCc1cc(CNc2ccc(C)cc2C)cc(OC)c1OCc1cccc(Cl)c1 ZINC000409119794 560679559 /nfs/dbraw/zinc/67/95/59/560679559.db2.gz UGPGUUKSELKDLT-UHFFFAOYSA-N 0 0 421.968 6.885 40 30 HKEBRN C=CCc1cc(CNc2ccccc2CC)cc(OCC)c1OCc1ccc(F)cc1 ZINC000409119894 560679539 /nfs/dbraw/zinc/67/95/39/560679539.db2.gz RJSFADJCWNLQOS-UHFFFAOYSA-N 0 0 419.540 6.706 40 30 HKEBRN C=CCOc1c(I)cc(CNc2ccc(C)cc2C)cc1OC ZINC000409120012 560679541 /nfs/dbraw/zinc/67/95/41/560679541.db2.gz SEHZCWVMMRDGMQ-UHFFFAOYSA-N 0 0 423.294 5.094 40 30 HKEBRN C=CCc1cc(CNc2ccc(OC)cc2)cc(OCC)c1OCc1cccc(F)c1 ZINC000409120039 558948714 /nfs/dbraw/zinc/94/87/14/558948714.db2.gz SSVKELHGVKGNIK-UHFFFAOYSA-N 0 0 421.512 6.153 40 30 HKEBRN C=CCc1cc(CNc2ccc(C)cc2)cc(OCC)c1OCc1ccc(Cl)cc1 ZINC000409120053 558948774 /nfs/dbraw/zinc/94/87/74/558948774.db2.gz UOYQMTNHRVIGEY-UHFFFAOYSA-N 0 0 421.968 6.967 40 30 HKEBRN C=CCc1cc(CNc2cccc(C)c2C)cc(OC)c1OCc1ccccc1Cl ZINC000409120138 558948678 /nfs/dbraw/zinc/94/86/78/558948678.db2.gz VIDTUJUHJDWGTJ-UHFFFAOYSA-N 0 0 421.968 6.885 40 30 HKEBRN CCOC(=O)c1ccc(/N=C\c2ccc(Sc3ccccc3)c([N+](=O)[O-])c2)cc1 ZINC000409120152 558948757 /nfs/dbraw/zinc/94/87/57/558948757.db2.gz YGHBQWCUURBGNM-HAHDFKILSA-N 0 0 406.463 5.673 40 30 HKEBRN C=CCc1cc(CNc2ccccc2C)cc(OCC)c1OCc1ccc(C)cc1 ZINC000409120226 558948784 /nfs/dbraw/zinc/94/87/84/558948784.db2.gz SNGZIVPZDYCNLK-UHFFFAOYSA-N 0 0 401.550 6.622 40 30 HKEBRN C#CCOc1c(Br)cc(Br)cc1CNc1ccc(C)cc1 ZINC000409120228 560679524 /nfs/dbraw/zinc/67/95/24/560679524.db2.gz VXYYSSMDDXTUFD-UHFFFAOYSA-N 0 0 409.121 5.144 40 30 HKEBRN COc1ccc(/N=C\c2ccc(Sc3ccccc3NC(C)=O)c([N+](=O)[O-])c2)cc1 ZINC000409120356 558948940 /nfs/dbraw/zinc/94/89/40/558948940.db2.gz VNZLXGLOHXHWOP-UCQKPKSFSA-N 0 0 421.478 5.464 40 30 HKEBRN C=CCOc1c(I)cc(CNc2cc(C)ccc2C)cc1OC ZINC000409120451 558948933 /nfs/dbraw/zinc/94/89/33/558948933.db2.gz ZOOVKTCEIVWFCB-UHFFFAOYSA-N 0 0 423.294 5.094 40 30 HKEBRN C=CCc1cc(CNc2ccc(OC)cc2)cc(OC)c1OCc1ccc(C)cc1 ZINC000409120505 558948962 /nfs/dbraw/zinc/94/89/62/558948962.db2.gz WCQDGFSZVGAUQC-UHFFFAOYSA-N 0 0 403.522 5.932 40 30 HKEBRN C=CCc1cc(CNc2cccc(C)c2C)cc(OC)c1OCc1ccc(F)cc1 ZINC000409120643 558948986 /nfs/dbraw/zinc/94/89/86/558948986.db2.gz UZUKVPZXAKLETK-UHFFFAOYSA-N 0 0 405.513 6.371 40 30 HKEBRN C=CCc1cc(CNc2ccc(Oc3ccccc3)cc2)cc(OCC)c1OCCC ZINC000409120653 558948960 /nfs/dbraw/zinc/94/89/60/558948960.db2.gz ROGAOIAFDHLUFI-UHFFFAOYSA-N 0 0 417.549 7.007 40 30 HKEBRN C#CCOc1c(Br)cc(CNc2ccc(C)cc2C)cc1Br ZINC000409120696 558948914 /nfs/dbraw/zinc/94/89/14/558948914.db2.gz VSVZZTUEBSYBEQ-UHFFFAOYSA-N 0 0 423.148 5.453 40 30 HKEBRN C=CCc1cc(CNc2ccccc2C)cc(OC)c1OCc1cccc(Cl)c1 ZINC000409120800 560679651 /nfs/dbraw/zinc/67/96/51/560679651.db2.gz UIRLMVKWPBKIEL-UHFFFAOYSA-N 0 0 407.941 6.577 40 30 HKEBRN C=CCc1cc(CNc2ccc(OC)cc2)cc(OCC)c1OCc1ccc(F)cc1 ZINC000409120863 560679653 /nfs/dbraw/zinc/67/96/53/560679653.db2.gz WOIBSZZSZJPWTO-UHFFFAOYSA-N 0 0 421.512 6.153 40 30 HKEBRN C=CCc1cc(CNc2ccc(C)cc2)cc(OCC)c1OCc1ccc(F)cc1 ZINC000409121043 558949284 /nfs/dbraw/zinc/94/92/84/558949284.db2.gz VQKWXOODEQLWDP-UHFFFAOYSA-N 0 0 405.513 6.452 40 30 HKEBRN C=CCc1cc(CNc2cc(C)ccc2C)cc(OCC)c1OCc1cccc(F)c1 ZINC000409121047 558949311 /nfs/dbraw/zinc/94/93/11/558949311.db2.gz XXSOMAAAHBIYQI-UHFFFAOYSA-N 0 0 419.540 6.761 40 30 HKEBRN C=CCc1cc(CNc2ccc(C)cc2)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409121054 558950330 /nfs/dbraw/zinc/95/03/30/558950330.db2.gz XKJQKIRVKTXFHT-UHFFFAOYSA-N 0 0 418.493 5.831 40 30 HKEBRN C#CCOc1c(Br)cc(CNc2cc(C)ccc2C)cc1Br ZINC000409121067 558951183 /nfs/dbraw/zinc/95/11/83/558951183.db2.gz XQFYYBPEFXPVQD-UHFFFAOYSA-N 0 0 423.148 5.453 40 30 HKEBRN C=CCc1cc(CNc2ccc(C)c(C)c2)cc(OC)c1OCc1ccc(Cl)cc1 ZINC000409121094 558951213 /nfs/dbraw/zinc/95/12/13/558951213.db2.gz YFCAGQMIUVLUPI-UHFFFAOYSA-N 0 0 421.968 6.885 40 30 HKEBRN C=CCc1cc(CNc2ccccc2)cc(OCC)c1OS(=O)(=O)c1ccccc1 ZINC000409121153 558951589 /nfs/dbraw/zinc/95/15/89/558951589.db2.gz YTBHTKZXKUESDO-UHFFFAOYSA-N 0 0 423.534 5.194 40 30 HKEBRN C=CCOc1c(Cl)cc(/C=C2/c3ccccc3N(CC(C)C)C2=O)cc1OCC ZINC000409121258 558951541 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C=CCc1cc(CNc2cccc(C)c2C)cc(OCC)c1OCc1ccc(F)cc1 ZINC000409121471 558951325 /nfs/dbraw/zinc/95/13/25/558951325.db2.gz XEODZTOPQKOLIV-UHFFFAOYSA-N 0 0 419.540 6.761 40 30 HKEBRN C#CCOc1c(Br)cc(Br)cc1CNc1ccccc1C ZINC000409121523 558951335 /nfs/dbraw/zinc/95/13/35/558951335.db2.gz XPPUARXCGORPGQ-UHFFFAOYSA-N 0 0 409.121 5.144 40 30 HKEBRN C#CCOc1c(Cl)cc(CNc2ccc(Oc3ccccc3)cc2)cc1OCC ZINC000409121945 558951567 /nfs/dbraw/zinc/95/15/67/558951567.db2.gz ZHPCJSBTJGKSEU-UHFFFAOYSA-N 0 0 407.897 6.155 40 30 HKEBRN C=CCc1cc(CNc2ccc(C)cc2C)cc(OCC)c1OCc1ccc(C)cc1 ZINC000409122019 560679805 /nfs/dbraw/zinc/67/98/05/560679805.db2.gz WMKHLMFUUJHMJB-UHFFFAOYSA-N 0 0 415.577 6.930 40 30 HKEBRN C=CCc1cc(CNc2ccc(CC)cc2)cc(OCC)c1OCc1ccc(C)cc1 ZINC000409122104 558951779 /nfs/dbraw/zinc/95/17/79/558951779.db2.gz ZCYRZJLXEKYCFV-UHFFFAOYSA-N 0 0 415.577 6.876 40 30 HKEBRN C=CCOc1c(Br)cc(CNc2ccc(OCC)cc2)cc1OCC ZINC000409122225 558952300 /nfs/dbraw/zinc/95/23/00/558952300.db2.gz ZERHLKXMINHDGI-UHFFFAOYSA-N 0 0 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558895225 /nfs/dbraw/zinc/89/52/25/558895225.db2.gz IMMCJWWIVUAKFV-ZVHZXABRSA-N 0 0 420.493 6.101 40 30 HKEBRN CC(C)CN1C(=O)/C(=C\c2cn(C(C)C)c3ccccc23)S/C1=N/c1ccccc1 ZINC000409153807 560685168 /nfs/dbraw/zinc/68/51/68/560685168.db2.gz NBXUBZQYZOUEAJ-HRRUJZEASA-N 0 0 417.578 6.482 40 30 HKEBRN CCCN1C(=O)/C(=C\c2cn(C(C)C)c3ccccc23)S/C1=N/c1ccccc1 ZINC000409154048 558895570 /nfs/dbraw/zinc/89/55/70/558895570.db2.gz JQLJZEAIQCOHEB-UQRBVYKBSA-N 0 0 403.551 6.236 40 30 HKEBRN Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/S/C(=N/c3ccccc3)N(C)C2=O)o1 ZINC000409154713 558896226 /nfs/dbraw/zinc/89/62/26/558896226.db2.gz KJDYJXXPVHUQFU-SAPPFYIZSA-N 0 0 419.462 5.397 40 30 HKEBRN N#Cc1ccccc1CN1C(=O)S/C(=C\c2ccc(-c3ccc(F)cc3)o2)C1=O ZINC000409155747 558896498 /nfs/dbraw/zinc/89/64/98/558896498.db2.gz MLUVYELDNFOUIY-JAIQZWGSSA-N 0 0 404.422 5.194 40 30 HKEBRN N#CCOc1ccc([C@@H]2Nc3c(Cl)ccc(C(F)(F)F)c3[C@@H]3C=CC[C@H]32)cc1 ZINC000409156112 560685427 /nfs/dbraw/zinc/68/54/27/560685427.db2.gz RSPPGJIECLPUNM-CLCXKQKWSA-N 0 0 404.819 6.088 40 30 HKEBRN N#CCOc1ccc([C@@H]2Nc3c(Cl)ccc(C(F)(F)F)c3[C@H]3C=CC[C@@H]32)cc1 ZINC000409156113 558896881 /nfs/dbraw/zinc/89/68/81/558896881.db2.gz RSPPGJIECLPUNM-DOXZYTNZSA-N 0 0 404.819 6.088 40 30 HKEBRN N#CCOc1ccc([C@@H]2Nc3c(Cl)ccc(C(F)(F)F)c3[C@H]3C=CC[C@H]32)cc1 ZINC000409156114 560685437 /nfs/dbraw/zinc/68/54/37/560685437.db2.gz RSPPGJIECLPUNM-KHYOSLBOSA-N 0 0 404.819 6.088 40 30 HKEBRN N#CCOc1ccc([C@@H]2Nc3c(Cl)ccc(C(F)(F)F)c3[C@@H]3C=CC[C@@H]32)cc1 ZINC000409156115 560685448 /nfs/dbraw/zinc/68/54/48/560685448.db2.gz RSPPGJIECLPUNM-VCBZYWHSSA-N 0 0 404.819 6.088 40 30 HKEBRN CSc1cccc(/N=C2/S/C(=C/c3cn(C(C)C)c4ccccc34)C(=O)N2C)c1 ZINC000409156948 560685545 /nfs/dbraw/zinc/68/55/45/560685545.db2.gz HJWJGISUBCJDBZ-PJCBNKFBSA-N 0 0 421.591 6.178 40 30 HKEBRN CCc1ccc(/N=C2/S/C(=C/c3cn(C(C)C)c4ccccc34)C(=O)N2C)cc1 ZINC000409157869 558896857 /nfs/dbraw/zinc/89/68/57/558896857.db2.gz WQGMVHYCLZEPNJ-ASAQIREPSA-N 0 0 403.551 6.018 40 30 HKEBRN N#Cc1ccccc1CN1C(=O)S/C(=C/c2cccc(Oc3ccccc3)c2)C1=O ZINC000409163698 558987145 /nfs/dbraw/zinc/98/71/45/558987145.db2.gz WOCBWJGNNKJALG-HYARGMPZSA-N 0 0 412.470 5.587 40 30 HKEBRN Cc1c(-c2ccc(/C=C3/S/C(=N/c4ccccc4)N(C)C3=O)o2)cccc1[N+](=O)[O-] ZINC000409164182 558987739 /nfs/dbraw/zinc/98/77/39/558987739.db2.gz DQYKKBWTQVIXGW-SAPPFYIZSA-N 0 0 419.462 5.397 40 30 HKEBRN COc1cc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)ccc1OC(F)F ZINC000409165381 558988480 /nfs/dbraw/zinc/98/84/80/558988480.db2.gz XKZDTPAKAGESLX-IETDBYTCSA-N 0 0 418.509 6.131 40 30 HKEBRN COc1cc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)ccc1OC(F)F ZINC000409165382 558988392 /nfs/dbraw/zinc/98/83/92/558988392.db2.gz XKZDTPAKAGESLX-SVLFYUKMSA-N 0 0 418.509 6.131 40 30 HKEBRN CCc1ccccc1/N=C1/S/C(=C/c2cn(C(C)C)c3ccccc23)C(=O)N1C ZINC000409165399 558988405 /nfs/dbraw/zinc/98/84/05/558988405.db2.gz XTSQUAQFMRONTH-ASAQIREPSA-N 0 0 403.551 6.018 40 30 HKEBRN N#Cc1ccccc1CN1C(=O)S/C(=C/c2ccc(-c3cccc(F)c3)o2)C1=O ZINC000409166031 558988569 /nfs/dbraw/zinc/98/85/69/558988569.db2.gz CDXBFXRLLGAACU-RGVLZGJSSA-N 0 0 404.422 5.194 40 30 HKEBRN COc1c(Cl)cc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)cc1Cl ZINC000409167918 558989414 /nfs/dbraw/zinc/98/94/14/558989414.db2.gz OZPJWAULDSHAMS-LZYBPNLTSA-N 0 0 419.289 5.110 40 30 HKEBRN Cc1ccc(/N=C2/S/C(=C/c3cn(C(C)C)c4ccccc34)C(=O)N2C)cc1C ZINC000409169076 558989513 /nfs/dbraw/zinc/98/95/13/558989513.db2.gz OOQKEICPLWMQOH-ZOSJBBHMSA-N 0 0 403.551 6.073 40 30 HKEBRN N#Cc1ccccc1CN1C(=O)S/C(=C/c2ccc(-c3cccc(Cl)c3)o2)C1=O ZINC000409169300 558990235 /nfs/dbraw/zinc/99/02/35/558990235.db2.gz WXHXAKNBTROKTR-RGVLZGJSSA-N 0 0 420.877 5.708 40 30 HKEBRN N#Cc1ccccc1CN1C(=O)S/C(=C\c2ccc(Sc3ccccc3)o2)C1=O ZINC000409170539 558991304 /nfs/dbraw/zinc/99/13/04/558991304.db2.gz VHXTYIKQYFOVGD-UNOMPAQXSA-N 0 0 418.499 5.539 40 30 HKEBRN CCCN1C(=O)/C(=C\c2cn(C(C)C)c3ccccc23)S/C1=N/c1ccc(C)cc1 ZINC000409170922 558991609 /nfs/dbraw/zinc/99/16/09/558991609.db2.gz YCVVKTBYQBKRIU-JHXFIANCSA-N 0 0 417.578 6.545 40 30 HKEBRN CCN1C(=O)/C(=C\c2cn(C(C)C)c3ccccc23)S/C1=N/c1ccc(C)cc1 ZINC000409171255 560686488 /nfs/dbraw/zinc/68/64/88/560686488.db2.gz ZQCBQXBJYZXPJK-ASAQIREPSA-N 0 0 403.551 6.155 40 30 HKEBRN CC[C@H](C)n1cc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)c2ccccc21 ZINC000409171743 558991839 /nfs/dbraw/zinc/99/18/39/558991839.db2.gz GKLOUBMEFIFTLM-BFTVFPACSA-N 0 0 415.518 5.720 40 30 HKEBRN CC[C@@H](C)n1cc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)c2ccccc21 ZINC000409171744 558991890 /nfs/dbraw/zinc/99/18/90/558991890.db2.gz GKLOUBMEFIFTLM-LTNVFZTJSA-N 0 0 415.518 5.720 40 30 HKEBRN Clc1ccc(COc2cccc(C=NNc3nc4ccccc4[nH]3)c2)c(Cl)c1 ZINC000409175777 558997243 /nfs/dbraw/zinc/99/72/43/558997243.db2.gz CUJBAHAKCRAABD-WYMPLXKRSA-N 0 0 411.292 5.895 40 30 HKEBRN CCCCCCCOC(=O)c1ccc(NC(=O)c2ccc(OCCCC)cc2)cc1 ZINC000409176082 558997851 /nfs/dbraw/zinc/99/78/51/558997851.db2.gz GUDQQAYUTLPMKB-UHFFFAOYSA-N 0 0 411.542 6.245 40 30 HKEBRN Cc1cc(C=NNc2nc3ccccc3[nH]2)c(C)n1-c1ccc(C)c(Br)c1 ZINC000409176550 560687207 /nfs/dbraw/zinc/68/72/07/560687207.db2.gz QXZOTHFXFGHCDJ-FSJBWODESA-N 0 0 422.330 5.487 40 30 HKEBRN C(=NN=c1[nH]c2ccccc2[nH]1)c1cn(Cc2cccc3ccccc32)c2ccccc12 ZINC000409178470 560687570 /nfs/dbraw/zinc/68/75/70/560687570.db2.gz IMEGYSJUOJAYMG-LQKURTRISA-N 0 0 415.500 6.165 40 30 HKEBRN Clc1cccc(COc2ccc(Cl)cc2C=NN=c2[nH]c3ccccc3[nH]2)c1 ZINC000409178960 560687727 /nfs/dbraw/zinc/68/77/27/560687727.db2.gz LIHAUMYJTYDOBR-WYMPLXKRSA-N 0 0 411.292 5.895 40 30 HKEBRN Cc1oc(/N=C/c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)c(C#N)c1C ZINC000409179007 560687698 /nfs/dbraw/zinc/68/76/98/560687698.db2.gz ORUYOOUUWYZRAJ-LUOAPIJWSA-N 0 0 422.315 6.829 40 30 HKEBRN O=C(C=CNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccc2ccccc21 ZINC000409179117 560687724 /nfs/dbraw/zinc/68/77/24/560687724.db2.gz NFEIQRWIWLGZQR-CMDGGOBGSA-N 0 0 409.329 6.686 40 30 HKEBRN Cc1nc(N=NCc2c(OCc3ccccc3F)ccc3ccccc32)sc1C ZINC000409180207 560688249 /nfs/dbraw/zinc/68/82/49/560688249.db2.gz PZXWKFVQRCFYHP-DHRITJCHSA-N 0 0 405.498 6.077 40 30 HKEBRN O=[N+]([O-])c1ccc(NN=Cc2c(OCc3ccccc3F)ccc3ccccc32)cc1 ZINC000409182923 559011391 /nfs/dbraw/zinc/01/13/91/559011391.db2.gz QDEVMIWWONPNMZ-CVKSISIWSA-N 0 0 415.424 5.912 40 30 HKEBRN CCOc1ccc(-n2c(C)cc(/C=N/c3ccc(C4CCCCC4)cc3)c2C)cc1 ZINC000409183773 560688813 /nfs/dbraw/zinc/68/88/13/560688813.db2.gz GCRFBWYAYXCPKP-TURZUDJPSA-N 0 0 400.566 7.291 40 30 HKEBRN CCCCOC(=O)c1ccc(/N=C/c2cc(C)n(-c3ccc(OCC)cc3)c2C)cc1 ZINC000409184441 559012186 /nfs/dbraw/zinc/01/21/86/559012186.db2.gz LGCFKYLCOBNERC-OVVQPSECSA-N 0 0 418.537 6.200 40 30 HKEBRN COc1ccc(Oc2ccc(/N=C/c3ccc(OCC(=O)OC(C)C)cc3)cc2)cc1 ZINC000409186375 559013409 /nfs/dbraw/zinc/01/34/09/559013409.db2.gz BCTLSTWXATWJNJ-WGOQTCKBSA-N 0 0 419.477 5.569 40 30 HKEBRN C(=N/N(c1ccccc1)c1ccccc1)\c1ccc(Sc2nc3ccccc3[nH]2)o1 ZINC000409186426 560689027 /nfs/dbraw/zinc/68/90/27/560689027.db2.gz BWSSZEDGMZWBAF-KOEQRZSOSA-N 0 0 410.502 6.479 40 30 HKEBRN CCOc1ccc(-n2c(C)cc(/C=C3\SC(=Nc4ccccc4)NC3=O)c2C)cc1 ZINC000409186468 559013426 /nfs/dbraw/zinc/01/34/26/559013426.db2.gz CJOPKCWYGALFAD-JCMHNJIXSA-N 0 0 417.534 5.384 40 30 HKEBRN CCOc1ccc(-n2c(C)cc(/C=N/c3ccc(C(=O)OC)c(Cl)c3)c2C)cc1 ZINC000409186630 560689097 /nfs/dbraw/zinc/68/90/97/560689097.db2.gz FTJOHWVFBKHTHH-AFUMVMLFSA-N 0 0 410.901 5.683 40 30 HKEBRN CCOc1ccc(-n2c(C)cc(/C=N/c3ccc(Nc4ccccc4)cc3)c2C)cc1 ZINC000409186678 560689051 /nfs/dbraw/zinc/68/90/51/560689051.db2.gz GJFBIJDMIWBOGS-TURZUDJPSA-N 0 0 409.533 6.987 40 30 HKEBRN CCOc1ccc(-n2c(C)cc(/C=N/c3ccc(Cl)c(C(=O)OC)c3)c2C)cc1 ZINC000409186904 559013563 /nfs/dbraw/zinc/01/35/63/559013563.db2.gz JGZVPRIVOIBCOF-AFUMVMLFSA-N 0 0 410.901 5.683 40 30 HKEBRN CCOc1ccc(-n2c(C)cc(/C=N\c3ccc(Br)cc3C)c2C)cc1 ZINC000409187131 559013594 /nfs/dbraw/zinc/01/35/94/559013594.db2.gz MMZDNVYFQHYPJD-OYKKKHCWSA-N 0 0 411.343 6.314 40 30 HKEBRN CCOc1ccc(-n2c(C)cc(/C=N/c3cc(C(=O)OC)ccc3Cl)c2C)cc1 ZINC000409187464 559014030 /nfs/dbraw/zinc/01/40/30/559014030.db2.gz QRZDVIIYAPMNSD-AFUMVMLFSA-N 0 0 410.901 5.683 40 30 HKEBRN CCOc1ccc(-n2c(C)cc(/C=N\c3ccc(C)cc3Br)c2C)cc1 ZINC000409187510 560688001 /nfs/dbraw/zinc/68/80/01/560688001.db2.gz RKBIAPPTLXIFGC-OYKKKHCWSA-N 0 0 411.343 6.314 40 30 HKEBRN Clc1ccc(Sc2ccc(/C=N/N(c3ccccc3)c3ccccc3)o2)cc1 ZINC000409187528 560688005 /nfs/dbraw/zinc/68/80/05/560688005.db2.gz ROGLBMORHRZJSO-KOEQRZSOSA-N 0 0 404.922 7.256 40 30 HKEBRN CC(C)OC(=O)COc1ccc(/C=N/c2ccc(Br)c(Cl)c2)cc1 ZINC000409187588 560688003 /nfs/dbraw/zinc/68/80/03/560688003.db2.gz SFKPIDHRKLNPMD-UFFVCSGVSA-N 0 0 410.695 5.184 40 30 HKEBRN C=CCc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc(OC)c1O ZINC000409187654 559013566 /nfs/dbraw/zinc/01/35/66/559013566.db2.gz AJIVPJUKCHEUQS-GZTJUZNOSA-N 0 0 401.871 5.024 40 30 HKEBRN CCOc1ccc(-n2c(C)cc(/C=N/c3ccc(N4CCOCC4)cc3)c2C)cc1 ZINC000409187857 559013909 /nfs/dbraw/zinc/01/39/09/559013909.db2.gz VDUZTLLHIMNOSA-NLRVBDNBSA-N 0 0 403.526 5.080 40 30 HKEBRN CCOc1ccc(-n2c(C)cc(/C=N\c3ccc(-n4c(C)ccc4C)cc3)c2C)cc1 ZINC000409188168 559014498 /nfs/dbraw/zinc/01/44/98/559014498.db2.gz XAKOZLGRSFMIOE-VEILYXNESA-N 0 0 411.549 6.651 40 30 HKEBRN CCOC(=O)C(CC(=O)c1ccc(Br)cc1)=Nc1ccc(C)cc1Cl ZINC000409188199 560688167 /nfs/dbraw/zinc/68/81/67/560688167.db2.gz BQYPCNVNWORMHO-BOPFTXTBSA-N 0 0 422.706 5.153 40 30 HKEBRN N#Cc1ccc(-c2ccc(/C=C3/SC(=O)N(c4ccc(Cl)cc4)C3=O)o2)cc1 ZINC000409189084 559014634 /nfs/dbraw/zinc/01/46/34/559014634.db2.gz CNEAUMKDNVVIBE-YBFXNURJSA-N 0 0 406.850 5.713 40 30 HKEBRN COC(=O)c1ccc(Cl)cc1-c1ccc(/C=N/c2cccc(Br)c2)o1 ZINC000409189457 560690969 /nfs/dbraw/zinc/69/09/69/560690969.db2.gz GVIBTNCHFVUJGG-SSDVNMTOSA-N 0 0 418.674 5.900 40 30 HKEBRN O=C(C=CNc1ccc(I)cc1)c1ccc(Cl)cc1Cl ZINC000409189652 559014536 /nfs/dbraw/zinc/01/45/36/559014536.db2.gz MGJGQBJSHXWXDU-BQYQJAHWSA-N 0 0 418.061 5.407 40 30 HKEBRN CCOc1ccc(-n2c(C)cc(/C=N/c3ccc(Br)c(C)c3)c2C)cc1 ZINC000409190634 560689160 /nfs/dbraw/zinc/68/91/60/560689160.db2.gz UCFLRWFSOBDXBM-ZVHZXABRSA-N 0 0 411.343 6.314 40 30 HKEBRN C=CCc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc(OCC)c1O ZINC000409190813 559014716 /nfs/dbraw/zinc/01/47/16/559014716.db2.gz RAPSXGROJWBHNT-LDADJPATSA-N 0 0 415.898 5.414 40 30 HKEBRN N#Cc1ccccc1-c1ccc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)o1 ZINC000409192214 559015061 /nfs/dbraw/zinc/01/50/61/559015061.db2.gz AAFAYRABXMFBNP-YBFXNURJSA-N 0 0 406.850 5.713 40 30 HKEBRN C#CCOc1ccc2ccccc2c1/C=C1/SC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000409192868 560689712 /nfs/dbraw/zinc/68/97/12/560689712.db2.gz GMUXCQHQTVQRKM-KGENOOAVSA-N 0 0 419.889 5.746 40 30 HKEBRN COC(=O)c1ccc(Cl)cc1-c1ccc(/C=N/c2sc3c(c2C#N)CCCC3)o1 ZINC000409193367 559014849 /nfs/dbraw/zinc/01/48/49/559014849.db2.gz JLLDAXRBDIWMMZ-BRJLIKDPSA-N 0 0 424.909 5.949 40 30 HKEBRN N#Cc1ccc(COc2ccc(-c3nc4ccccc4s3)cc2Br)cc1 ZINC000409193731 559015138 /nfs/dbraw/zinc/01/51/38/559015138.db2.gz LSJAOVUJNNHIFZ-UHFFFAOYSA-N 0 0 421.319 6.176 40 30 HKEBRN N#Cc1ccccc1COc1ccc(-c2nc3ccccc3s2)cc1Br ZINC000409196036 559015569 /nfs/dbraw/zinc/01/55/69/559015569.db2.gz YIJCHHJCJGWLHA-UHFFFAOYSA-N 0 0 421.319 6.176 40 30 HKEBRN N#Cc1ccccc1COc1ccc(Br)cc1-c1nc2ccccc2s1 ZINC000409196260 559015551 /nfs/dbraw/zinc/01/55/51/559015551.db2.gz YCMZOYOPCRHSQU-UHFFFAOYSA-N 0 0 421.319 6.176 40 30 HKEBRN C=CCOc1c(Br)cc(CNc2ccc(F)cc2)cc1Br ZINC000409196660 560690538 /nfs/dbraw/zinc/69/05/38/560690538.db2.gz XINPHFKGRSKACA-UHFFFAOYSA-N 0 0 415.100 5.528 40 30 HKEBRN CCN1c2ccccc2/C(=C\c2cn(Cc3ccc(C#N)cc3)c3ccccc23)C1=O ZINC000409197591 559016536 /nfs/dbraw/zinc/01/65/36/559016536.db2.gz JNHXIEGMFFTERY-BUVRLJJBSA-N 0 0 403.485 5.468 40 30 HKEBRN C=CCOc1c(Br)cc(Br)cc1CNc1ccc(F)cc1 ZINC000409198642 559016741 /nfs/dbraw/zinc/01/67/41/559016741.db2.gz IYUWFXLAUBFIQD-UHFFFAOYSA-N 0 0 415.100 5.528 40 30 HKEBRN N#Cc1ccccc1Cn1cc(C(=O)C(F)(F)F)c2cc(Br)ccc21 ZINC000409198667 559016770 /nfs/dbraw/zinc/01/67/70/559016770.db2.gz CSKKPGSQANEJNW-UHFFFAOYSA-N 0 0 407.189 5.069 40 30 HKEBRN Clc1cccc(COc2ccc(Br)cc2/C=N/c2ccccc2)c1 ZINC000409198880 559016901 /nfs/dbraw/zinc/01/69/01/559016901.db2.gz ACUIIKRQMMFTRM-YDZHTSKRSA-N 0 0 400.703 6.432 40 30 HKEBRN COc1cc(/C=N/c2cccc(C)c2C)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409198891 560689474 /nfs/dbraw/zinc/68/94/74/560689474.db2.gz ABYBIISPKSFQHV-CVKSISIWSA-N 0 0 402.494 5.389 40 30 HKEBRN CCCCCN1C(=O)S/C(=C\c2ccccc2OCc2ccccc2C#N)C1=O ZINC000409198932 559016733 /nfs/dbraw/zinc/01/67/33/559016733.db2.gz AKNGLGRQJSGIFA-STZFKDTASA-N 0 0 406.507 5.364 40 30 HKEBRN COc1cc(/C=N/c2cc(C)ccc2C)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409198953 559016759 /nfs/dbraw/zinc/01/67/59/559016759.db2.gz AONLGQABMLJPHD-YDZHTSKRSA-N 0 0 421.409 5.671 40 30 HKEBRN Cc1cccc(/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)c1C ZINC000409199025 560690846 /nfs/dbraw/zinc/69/08/46/560690846.db2.gz ASGGJVVXHWGPIX-RPPGKUMJSA-N 0 0 418.751 7.593 40 30 HKEBRN CCOc1ccc(/N=C/c2c(OCc3ccc(Cl)cc3)ccc3ccccc32)cc1 ZINC000409199054 559016731 /nfs/dbraw/zinc/01/67/31/559016731.db2.gz BENZZJSYCRBRDL-OGLMXYFKSA-N 0 0 415.920 7.222 40 30 HKEBRN Cc1c(Cl)cccc1/N=C/c1cc(Cl)ccc1OCC(=O)Nc1ccccc1 ZINC000409199073 559016744 /nfs/dbraw/zinc/01/67/44/559016744.db2.gz AZGIBSADENJTEY-DHRITJCHSA-N 0 0 413.304 6.070 40 30 HKEBRN Cc1ccc(COc2ccc(/C=N/c3cccc(C)c3C)cc2Br)cc1 ZINC000409199082 560690092 /nfs/dbraw/zinc/69/00/92/560690092.db2.gz AZMQJCANMGZVFE-AFUMVMLFSA-N 0 0 408.339 6.704 40 30 HKEBRN COc1cc(/C=N/c2cccc(C)c2C)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409199116 560690653 /nfs/dbraw/zinc/69/06/53/560690653.db2.gz BFMXIMMCTDSESU-DHRITJCHSA-N 0 0 424.884 6.203 40 30 HKEBRN CCOc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)cc(Br)c1O ZINC000409199137 559016889 /nfs/dbraw/zinc/01/68/89/559016889.db2.gz BIDXXICOTKXENL-OEAKJJBVSA-N 0 0 412.283 6.096 40 30 HKEBRN CCc1ccc(/N=C/c2ccc(OCc3ccc(C)cc3)c(Br)c2)cc1 ZINC000409199156 560690859 /nfs/dbraw/zinc/69/08/59/560690859.db2.gz BJQUUUQANMPZRO-MFKUBSTISA-N 0 0 408.339 6.650 40 30 HKEBRN Cc1ccc(Cl)cc1/N=C/c1c(OCc2ccccc2Cl)ccc2ccccc21 ZINC000409199159 560690884 /nfs/dbraw/zinc/69/08/84/560690884.db2.gz BKNJMWKMVULYNO-RWPZCVJISA-N 0 0 420.339 7.785 40 30 HKEBRN C#CCOc1ccc(Br)cc1/C=N/c1ccc(Oc2ccccc2)cc1 ZINC000409199168 560689659 /nfs/dbraw/zinc/68/96/59/560689659.db2.gz BOCZQQDOCQTOMI-LFVJCYFKSA-N 0 0 406.279 6.004 40 30 HKEBRN Cc1ccccc1/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1 ZINC000409199211 560692254 /nfs/dbraw/zinc/69/22/54/560692254.db2.gz BUGVFYDZAZSUNT-BRJLIKDPSA-N 0 0 404.724 7.285 40 30 HKEBRN CCOc1cc(/C=N/c2cc(C)ccc2C)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409199262 559016841 /nfs/dbraw/zinc/01/68/41/559016841.db2.gz AWWMARXWFAGGBN-JVWAILMASA-N 0 0 416.521 5.779 40 30 HKEBRN CCOc1cc(/C=N/c2ccc(C)cc2C)ccc1OCc1cccc2ccccc21 ZINC000409199269 560692244 /nfs/dbraw/zinc/69/22/44/560692244.db2.gz BACLCCHJCGEFRX-RDRPBHBLSA-N 0 0 409.529 7.185 40 30 HKEBRN C#CCOc1c(Br)cc(/C=N/c2ccc(C)c(Cl)c2)cc1OCC ZINC000409199278 559016882 /nfs/dbraw/zinc/01/68/82/559016882.db2.gz BYTLCUBPAXQUBZ-WSDLNYQXSA-N 0 0 406.707 5.572 40 30 HKEBRN Cc1ccc(/N=C/c2ccc(OCc3ccc(F)cc3)c(Br)c2)c(C)c1 ZINC000409199327 559016835 /nfs/dbraw/zinc/01/68/35/559016835.db2.gz BNDCFQASKKHILK-DHRITJCHSA-N 0 0 412.302 6.535 40 30 HKEBRN CCOc1cc(/C=N/c2ccc(OC)cc2)cc(Cl)c1OCc1ccc(C)cc1 ZINC000409199340 559016914 /nfs/dbraw/zinc/01/69/14/559016914.db2.gz BQHYQHWWZUOTTM-CVKSISIWSA-N 0 0 409.913 6.385 40 30 HKEBRN Cc1ccc(-n2cccc2/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)cc1Cl ZINC000409199352 559016916 /nfs/dbraw/zinc/01/69/16/559016916.db2.gz BTOITAUFXDXDMQ-CRUFNBOHSA-N 0 0 401.963 5.528 40 30 HKEBRN CCc1ccc(/N=C/c2cc(Br)ccc2OCc2ccccc2F)cc1 ZINC000409199356 560692263 /nfs/dbraw/zinc/69/22/63/560692263.db2.gz CFXSNDDGDGOBQY-AFUMVMLFSA-N 0 0 412.302 6.480 40 30 HKEBRN CCOc1c(I)cc(/C=N/c2cc(C)ccc2C)cc1OC ZINC000409199380 560692217 /nfs/dbraw/zinc/69/22/17/560692217.db2.gz CPMCWIRSGVKVMX-RGVLZGJSSA-N 0 0 409.267 5.066 40 30 HKEBRN COc1cc(/C=N/c2ccc(C)cc2C)cc(Br)c1OCc1ccccc1 ZINC000409199427 559016872 /nfs/dbraw/zinc/01/68/72/559016872.db2.gz DBSGWANUJGHUOW-AFUMVMLFSA-N 0 0 424.338 6.404 40 30 HKEBRN Cc1ccc(C)c(/N=C/c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)c1 ZINC000409199443 559016896 /nfs/dbraw/zinc/01/68/96/559016896.db2.gz DGVSZQSFCAFQBE-RPPGKUMJSA-N 0 0 402.296 7.079 40 30 HKEBRN CCOc1cc(/C=N/c2ccc(CC)cc2)cc(Cl)c1OCc1ccc(F)cc1 ZINC000409199479 559016945 /nfs/dbraw/zinc/01/69/45/559016945.db2.gz DACGEIPZJVGQOP-JFLMPSFJSA-N 0 0 411.904 6.770 40 30 HKEBRN C#CCOc1c(Br)cc(/C=N/c2ccccc2C)cc1Br ZINC000409199493 560692246 /nfs/dbraw/zinc/69/22/46/560692246.db2.gz DSVZGURQPPMTRE-RGVLZGJSSA-N 0 0 407.105 5.283 40 30 HKEBRN Cc1ccc(/N=C\c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)c(C)c1 ZINC000409199494 559016963 /nfs/dbraw/zinc/01/69/63/559016963.db2.gz DCLVZRPYJFCISV-ZMFRSBBQSA-N 0 0 414.383 6.773 40 30 HKEBRN Cc1ccc(/N=C\c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)cc1C ZINC000409199496 560692267 /nfs/dbraw/zinc/69/22/67/560692267.db2.gz DUFJFBGQLUYRBX-ZMFRSBBQSA-N 0 0 414.383 6.773 40 30 HKEBRN CCOc1cc(/C=N/c2ccc(CC)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409199693 559016971 /nfs/dbraw/zinc/01/69/71/559016971.db2.gz CQXWQOUOOYLUKQ-PCLIKHOPSA-N 0 0 404.466 5.886 40 30 HKEBRN C#CCOc1c(Br)cc(Br)cc1/C=N/c1ccc(CC)cc1 ZINC000409199738 559016938 /nfs/dbraw/zinc/01/69/38/559016938.db2.gz DBUWIFZPVABZJO-CIAFOILYSA-N 0 0 421.132 5.537 40 30 HKEBRN CCOc1ccc(/N=C/c2cc(Cl)ccc2OCC(=O)Nc2cccc(C)c2)cc1 ZINC000409199740 559016972 /nfs/dbraw/zinc/01/69/72/559016972.db2.gz DCNWLPLKNIFXCF-CVKSISIWSA-N 0 0 422.912 5.815 40 30 HKEBRN Cc1ccc(/N=C/c2cc(Cl)c(OCc3cccc(Cl)c3)c(Cl)c2)cc1 ZINC000409199780 559016947 /nfs/dbraw/zinc/01/69/47/559016947.db2.gz DVCONEIVPCKCAO-BRJLIKDPSA-N 0 0 404.724 7.285 40 30 HKEBRN CCOc1cc(/C=N/c2cccc(C)c2C)cc(Cl)c1OCc1ccccc1F ZINC000409199818 560692397 /nfs/dbraw/zinc/69/23/97/560692397.db2.gz DZVTYWKITCZDJJ-MZJWZYIUSA-N 0 0 411.904 6.824 40 30 HKEBRN CCOc1ccc2ccccc2c1/C=N\c1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 ZINC000409199825 559016967 /nfs/dbraw/zinc/01/69/67/559016967.db2.gz DZZWHCHNEOPRTO-TVEVAFHQSA-N 0 0 416.590 7.073 40 30 HKEBRN CCOc1ccc2ccccc2c1/C=N\c1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 ZINC000409199829 559016952 /nfs/dbraw/zinc/01/69/52/559016952.db2.gz DZZWHCHNEOPRTO-UWSVQNCHSA-N 0 0 416.590 7.073 40 30 HKEBRN COc1ccc(-n2c(C)cc(/C=N/c3sc4c(c3C#N)C3CCN4CC3)c2C)cc1 ZINC000409199846 559016957 /nfs/dbraw/zinc/01/69/57/559016957.db2.gz FDWJFBQRWBHVMW-VULFUBBASA-N 0 0 416.550 5.484 40 30 HKEBRN CCN1C2=C(C(=O)CC(C)(C)C2)C(c2ccc(Cl)cc2)C2=C1CC(C)(C)CC2=O ZINC000409199855 560692374 /nfs/dbraw/zinc/69/23/74/560692374.db2.gz FIHXPFNRNMRAGU-UHFFFAOYSA-N 0 0 411.973 6.046 40 30 HKEBRN COc1cc(/C=N/c2ccc(C)c(C)c2)cc(Cl)c1OCC(=O)Nc1ccccc1 ZINC000409199868 559016944 /nfs/dbraw/zinc/01/69/44/559016944.db2.gz FBMDGUIRQDOKDU-VULFUBBASA-N 0 0 422.912 5.734 40 30 HKEBRN Cc1ccc(/N=C/c2ccc(OCc3cccc4ccccc43)c(Cl)c2)cc1Cl ZINC000409199919 560692479 /nfs/dbraw/zinc/69/24/79/560692479.db2.gz FRELHEZWYWZIEB-RWPZCVJISA-N 0 0 420.339 7.785 40 30 HKEBRN Cc1c(Cl)cccc1/N=C/c1cc(Cl)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409199947 560692469 /nfs/dbraw/zinc/69/24/69/560692469.db2.gz FYBUERFKMOOJJK-WYMPLXKRSA-N 0 0 415.276 6.540 40 30 HKEBRN Cc1ccccc1/N=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1 ZINC000409199952 560692452 /nfs/dbraw/zinc/69/24/52/560692452.db2.gz FYLOEKVBKIZCGL-ZMOGYAJESA-N 0 0 414.730 6.741 40 30 HKEBRN CCc1ccc(/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1 ZINC000409199994 560692443 /nfs/dbraw/zinc/69/24/43/560692443.db2.gz GKQSPGRVBMCIHM-VULFUBBASA-N 0 0 414.332 6.894 40 30 HKEBRN CCOc1cc(/C=N/c2cccc(Cl)c2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409200000 560692449 /nfs/dbraw/zinc/69/24/49/560692449.db2.gz GKRRPFVBLUJPPG-AFUMVMLFSA-N 0 0 424.884 6.285 40 30 HKEBRN CCOc1ccc(/N=C/c2ccc(OCC(=O)Nc3cccc(C)c3)c(Cl)c2)cc1 ZINC000409200001 560692477 /nfs/dbraw/zinc/69/24/77/560692477.db2.gz GKYYNHUSUCWZEU-CVKSISIWSA-N 0 0 422.912 5.815 40 30 HKEBRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1ccc(Cl)cc1/C=N/c1ccccc1 ZINC000409200008 560692490 /nfs/dbraw/zinc/69/24/90/560692490.db2.gz GPYGGELZJBLUAX-BRJLIKDPSA-N 0 0 420.774 6.810 40 30 HKEBRN Cc1cccc(/N=C/c2c(OS(=O)(=O)c3ccccc3)ccc3ccccc32)c1C ZINC000409200022 560692489 /nfs/dbraw/zinc/69/24/89/560692489.db2.gz FLFNCYPNKGFNIL-YZSQISJMSA-N 0 0 415.514 5.975 40 30 HKEBRN CCCOc1c(I)cc(/C=N/c2ccccc2)cc1OCC ZINC000409200039 559016874 /nfs/dbraw/zinc/01/68/74/559016874.db2.gz FSXKRFPCSJHKNJ-DEDYPNTBSA-N 0 0 409.267 5.229 40 30 HKEBRN Cc1ccc(/N=C/c2c(OCc3cccc4ccccc43)ccc3ccccc32)cc1C ZINC000409200098 559016880 /nfs/dbraw/zinc/01/68/80/559016880.db2.gz GSRMNGPDUNBSCJ-ZCTHSVRISA-N 0 0 415.536 7.939 40 30 HKEBRN C#CCOc1c(Cl)cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)cc1Cl ZINC000409200128 560692442 /nfs/dbraw/zinc/69/24/42/560692442.db2.gz HBVJKAWQGUQWOW-HDKKRFQTSA-N 0 0 411.354 5.095 40 30 HKEBRN CCOc1cc(/C=N/c2ccc(C)c(Cl)c2)ccc1OCC(=O)Nc1ccccc1 ZINC000409200157 560692481 /nfs/dbraw/zinc/69/24/81/560692481.db2.gz HFTMJLQAQVEIDF-CVKSISIWSA-N 0 0 422.912 5.815 40 30 HKEBRN Cc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)c(C)n1-c1cc(C)cc(C)c1 ZINC000409200159 559016854 /nfs/dbraw/zinc/01/68/54/559016854.db2.gz GUKPASUHYRLKRT-HTQRFZLASA-N 0 0 409.599 5.800 40 30 HKEBRN CCOc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)ccc1OCc1ccccc1 ZINC000409200174 560692447 /nfs/dbraw/zinc/69/24/47/560692447.db2.gz GVLFVINTDSSCJY-ZTKZIYFRSA-N 0 0 423.512 7.207 40 30 HKEBRN Cc1ccccc1/N=C/c1cc(Br)ccc1OCc1ccccc1Cl ZINC000409200210 559016899 /nfs/dbraw/zinc/01/68/99/559016899.db2.gz GZZWBZAMRGXVQV-ZMOGYAJESA-N 0 0 414.730 6.741 40 30 HKEBRN CCOC(=O)c1cc(-c2ccc(C=NNc3ccc([N+](=O)[O-])cc3)o2)ccc1Cl ZINC000409200217 560692482 /nfs/dbraw/zinc/69/24/82/560692482.db2.gz HARWNMNWZRIIKB-WSDLNYQXSA-N 0 0 413.817 5.131 40 30 HKEBRN C=CCOc1c(I)cc(/C=N/c2ccc(CC)cc2)cc1OC ZINC000409200221 559016844 /nfs/dbraw/zinc/01/68/44/559016844.db2.gz HBJIQPWNTMUHMD-FYJGNVAPSA-N 0 0 421.278 5.178 40 30 HKEBRN Cc1c(Cl)cccc1/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl ZINC000409200233 560692448 /nfs/dbraw/zinc/69/24/48/560692448.db2.gz HDUGADHUICFYCD-BRJLIKDPSA-N 0 0 404.724 7.285 40 30 HKEBRN COc1cc(/C=N/c2ccc(C)c(Cl)c2)ccc1OCc1cccc2ccccc21 ZINC000409200237 559016846 /nfs/dbraw/zinc/01/68/46/559016846.db2.gz HEHUKSAOADGCNE-LQKURTRISA-N 0 0 415.920 7.140 40 30 HKEBRN CCOc1cc(/C=N/c2cccc(C)c2C)cc(Cl)c1OCc1ccc(F)cc1 ZINC000409200310 559017052 /nfs/dbraw/zinc/01/70/52/559017052.db2.gz HQOSLCWDTNFSPY-MZJWZYIUSA-N 0 0 411.904 6.824 40 30 HKEBRN CCOc1cc(/C=N/c2cc(C)ccc2C)cc(Cl)c1OCc1ccccc1F ZINC000409200325 560692571 /nfs/dbraw/zinc/69/25/71/560692571.db2.gz HXSIXBPKXNDJSJ-MZJWZYIUSA-N 0 0 411.904 6.824 40 30 HKEBRN CCOc1c(I)cc(/C=N/c2cccc(C)c2C)cc1OC ZINC000409200340 559017030 /nfs/dbraw/zinc/01/70/30/559017030.db2.gz IBNLEGWFMOOXQX-RGVLZGJSSA-N 0 0 409.267 5.066 40 30 HKEBRN CCOc1cc(/C=N/c2ccc(CC)cc2)ccc1OCc1cccc2ccccc21 ZINC000409200371 560692559 /nfs/dbraw/zinc/69/25/59/560692559.db2.gz HYYUDEUSFZPEOW-VUTHCHCSSA-N 0 0 409.529 7.131 40 30 HKEBRN CCCOc1c(I)cc(/C=N/c2cc(C)ccc2C)cc1OC ZINC000409200372 559017028 /nfs/dbraw/zinc/01/70/28/559017028.db2.gz IIDLWQGXRULDTC-CIAFOILYSA-N 0 0 423.294 5.456 40 30 HKEBRN Cc1ccccc1/N=C/c1cc(Cl)c(OCc2cccc3ccccc32)c(Cl)c1 ZINC000409200395 560692561 /nfs/dbraw/zinc/69/25/61/560692561.db2.gz IMMLYLQFMBETHO-RWPZCVJISA-N 0 0 420.339 7.785 40 30 HKEBRN Cc1ccc(/N=C/c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)cc1Cl ZINC000409200502 560692568 /nfs/dbraw/zinc/69/25/68/560692568.db2.gz HROMTKQQWHVJCX-BRJLIKDPSA-N 0 0 404.724 7.285 40 30 HKEBRN Cc1ccc(/N=C/c2ccc(OCc3ccccc3F)c(Br)c2)cc1C ZINC000409200521 559017020 /nfs/dbraw/zinc/01/70/20/559017020.db2.gz HXBGTPMBNJWCSO-DHRITJCHSA-N 0 0 412.302 6.535 40 30 HKEBRN Cc1ccc(Cl)cc1/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl ZINC000409200579 559017065 /nfs/dbraw/zinc/01/70/65/559017065.db2.gz IIVHOTMAXGCKML-BRJLIKDPSA-N 0 0 404.724 7.285 40 30 HKEBRN CCCOc1c(I)cc(/C=N/c2ccc(C)cc2C)cc1OC ZINC000409200615 560692692 /nfs/dbraw/zinc/69/26/92/560692692.db2.gz IQHREQBKEXCTSZ-CIAFOILYSA-N 0 0 423.294 5.456 40 30 HKEBRN O=C1CSC(=S)N1/N=C/c1cn(Cc2ccc3ccccc3c2)c2ccccc12 ZINC000409200618 559017054 /nfs/dbraw/zinc/01/70/54/559017054.db2.gz IXUVDPFALDUVAX-WYMPLXKRSA-N 0 0 415.543 5.037 40 30 HKEBRN CCOc1cc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)ccc1OCC#N ZINC000409200636 559017040 /nfs/dbraw/zinc/01/70/40/559017040.db2.gz ISPXAAMQZNKHKZ-JEWIKEISSA-N 0 0 421.566 5.822 40 30 HKEBRN CCOc1cc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)ccc1OCC#N ZINC000409200639 559017000 /nfs/dbraw/zinc/01/70/00/559017000.db2.gz ISPXAAMQZNKHKZ-VSWHYLHOSA-N 0 0 421.566 5.822 40 30 HKEBRN Cc1ccc(/N=C/c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)cc1C ZINC000409200645 560692687 /nfs/dbraw/zinc/69/26/87/560692687.db2.gz IUAALXRGWPRLLJ-RPPGKUMJSA-N 0 0 402.296 7.079 40 30 HKEBRN CCOc1cc(/C=N/c2cc(C)ccc2C)ccc1OCC(=O)Nc1ccccc1 ZINC000409200652 559017058 /nfs/dbraw/zinc/01/70/58/559017058.db2.gz JFGRSJUHRDQXLM-WGOQTCKBSA-N 0 0 402.494 5.470 40 30 HKEBRN Cc1ccc(/N=C/c2ccc(OS(=O)(=O)c3ccccc3)c(Cl)c2)cc1Cl ZINC000409200665 560692683 /nfs/dbraw/zinc/69/26/83/560692683.db2.gz JLRCADJEBWPISN-YDZHTSKRSA-N 0 0 420.317 5.820 40 30 HKEBRN COc1cc(/C=N/c2ccc(C)cc2)cc(Cl)c1OS(=O)(=O)c1ccccc1 ZINC000409200667 559017005 /nfs/dbraw/zinc/01/70/05/559017005.db2.gz JLZKCIVFZFEBAI-OEAKJJBVSA-N 0 0 415.898 5.175 40 30 HKEBRN COc1cc(/C=N/c2ccc(C)c(Cl)c2)cc(Cl)c1OCc1cccc(F)c1 ZINC000409200692 559017061 /nfs/dbraw/zinc/01/70/61/559017061.db2.gz IMVZTSDSKSUCRY-RPPGKUMJSA-N 0 0 418.295 6.779 40 30 HKEBRN CCOc1cc(/C=N/c2ccc(OC)cc2)cc(Cl)c1OCc1ccc(F)cc1 ZINC000409200712 559017164 /nfs/dbraw/zinc/01/71/64/559017164.db2.gz JVWILOXQXCEXFC-VULFUBBASA-N 0 0 413.876 6.216 40 30 HKEBRN C#CCOc1c(Br)cc(/C=N/c2ccc(CC)cc2)cc1Br ZINC000409200714 559017174 /nfs/dbraw/zinc/01/71/74/559017174.db2.gz JVZZDTOZNIFZSV-CIAFOILYSA-N 0 0 421.132 5.537 40 30 HKEBRN CCOc1ccc(/N=C/c2ccc(OCc3ccc(Br)cc3)cc2)cc1 ZINC000409200727 560692688 /nfs/dbraw/zinc/69/26/88/560692688.db2.gz ISQVXIDFYCHZGN-BUVRLJJBSA-N 0 0 410.311 6.177 40 30 HKEBRN Cc1ccc(/N=C/c2ccc(OCc3ccccc3Cl)c(Cl)c2)cc1Cl ZINC000409200729 560692696 /nfs/dbraw/zinc/69/26/96/560692696.db2.gz ITCOREQTDMTRMS-BRJLIKDPSA-N 0 0 404.724 7.285 40 30 HKEBRN COc1ccc(/N=C/c2cc(Cl)c(OCC(=O)Nc3ccccc3)c(OC)c2)cc1 ZINC000409200734 560692684 /nfs/dbraw/zinc/69/26/84/560692684.db2.gz JZZQGVKKWXEAHL-AFUMVMLFSA-N 0 0 424.884 5.125 40 30 HKEBRN Cc1cccc(/N=C/c2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)c1C ZINC000409200736 560692703 /nfs/dbraw/zinc/69/27/03/560692703.db2.gz KAAIIFJKWASHBU-RPPGKUMJSA-N 0 0 418.751 7.593 40 30 HKEBRN COc1cc(/C=N/c2ccc(C)c(C)c2)ccc1OCc1ccc(Cl)cc1Cl ZINC000409200758 559017168 /nfs/dbraw/zinc/01/71/68/559017168.db2.gz JCCYFKYNNDITFE-LGJNPRDNSA-N 0 0 414.332 6.948 40 30 HKEBRN CCOc1ccc(/N=C/c2cc(Cl)c(OCc3ccc(F)cc3)c(OC)c2)cc1 ZINC000409200761 559017169 /nfs/dbraw/zinc/01/71/69/559017169.db2.gz JDARFVIFSQZHFX-VULFUBBASA-N 0 0 413.876 6.216 40 30 HKEBRN COc1ccc(/N=C/c2ccc(OCC(=O)Nc3cccc(C)c3)c(Cl)c2)cc1 ZINC000409200788 560692701 /nfs/dbraw/zinc/69/27/01/560692701.db2.gz JNBXVNKCGHPHDC-AFUMVMLFSA-N 0 0 408.885 5.425 40 30 HKEBRN CCc1ccc(/N=C/c2c(OCC(=O)Nc3cccc(C)c3)ccc3ccccc32)cc1 ZINC000409200802 559017153 /nfs/dbraw/zinc/01/71/53/559017153.db2.gz JDQYHPHISODFSJ-RDRPBHBLSA-N 0 0 422.528 6.479 40 30 HKEBRN CCOc1c(I)cc(/C=N/c2ccc(CC)cc2)cc1OC ZINC000409200823 559017167 /nfs/dbraw/zinc/01/71/67/559017167.db2.gz JVJHETREPNEJEF-UDWIEESQSA-N 0 0 409.267 5.012 40 30 HKEBRN Cc1ccc(C)c(/N=C/c2ccc(OCc3cccc(F)c3)c(Br)c2)c1 ZINC000409200834 559017172 /nfs/dbraw/zinc/01/71/72/559017172.db2.gz JZXBJHGMDVZBBK-DHRITJCHSA-N 0 0 412.302 6.535 40 30 HKEBRN Cc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)c(C)n1-c1cccc(C)c1C ZINC000409200835 559017175 /nfs/dbraw/zinc/01/71/75/559017175.db2.gz KAYYGJOWORNAGI-HTQRFZLASA-N 0 0 409.599 5.800 40 30 HKEBRN C#CCOc1c(Br)cc(/C=N/c2cccc(C)c2C)cc1Br ZINC000409200838 560692702 /nfs/dbraw/zinc/69/27/02/560692702.db2.gz JMJHPCHHMWZKGB-SRZZPIQSSA-N 0 0 421.132 5.591 40 30 HKEBRN CCOc1cc(/C=N/c2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1Cl ZINC000409200842 559017158 /nfs/dbraw/zinc/01/71/58/559017158.db2.gz JNDZMOLILQGBNS-VULFUBBASA-N 0 0 414.332 7.030 40 30 HKEBRN COc1cc(/C=N/c2cccc(C)c2C)ccc1OCc1ccc(Cl)cc1Cl ZINC000409200851 559017159 /nfs/dbraw/zinc/01/71/59/559017159.db2.gz JQGPROOTLXLMEC-LGJNPRDNSA-N 0 0 414.332 6.948 40 30 HKEBRN Cc1ccc(Cl)cc1/N=C/c1cc(Cl)c(OCc2ccccc2F)c(Cl)c1 ZINC000409200852 559017146 /nfs/dbraw/zinc/01/71/46/559017146.db2.gz JQHVLYJOQNGXGN-KBKYJPHKSA-N 0 0 422.714 7.424 40 30 HKEBRN Cc1ccc(/N=C/c2ccc(OCc3ccc(Br)cc3)cc2)cc1Cl ZINC000409200857 560692707 /nfs/dbraw/zinc/69/27/07/560692707.db2.gz JRZHDHXMLSNRMH-ZMOGYAJESA-N 0 0 414.730 6.741 40 30 HKEBRN Cc1ccc(Cl)cc1/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1 ZINC000409200886 560692689 /nfs/dbraw/zinc/69/26/89/560692689.db2.gz KDFUDDISNBUNOB-WYMPLXKRSA-N 0 0 415.276 6.540 40 30 HKEBRN O=S(=O)(Oc1ccc2ccccc2c1/C=N/c1ccccc1)c1ccc(Cl)cc1 ZINC000409200920 560692760 /nfs/dbraw/zinc/69/27/60/560692760.db2.gz KKAQBWVWZCWJJF-PCLIKHOPSA-N 0 0 421.905 6.012 40 30 HKEBRN Cc1ccc(C)c(/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)c1 ZINC000409200939 560692767 /nfs/dbraw/zinc/69/27/67/560692767.db2.gz KNEZBWRVLLBTAD-RPPGKUMJSA-N 0 0 418.751 7.593 40 30 HKEBRN C=CCOc1c(Br)cc(/C=N/c2ccccc2C)cc1Br ZINC000409201013 560692810 /nfs/dbraw/zinc/69/28/10/560692810.db2.gz LGEKXHSZTSPATO-RGVLZGJSSA-N 0 0 409.121 5.835 40 30 HKEBRN COc1cc(/C=N/c2ccc(C)cc2C)cc(Cl)c1OCc1ccccc1Cl ZINC000409201054 559017213 /nfs/dbraw/zinc/01/72/13/559017213.db2.gz LOLOIQYUVUPJOB-LGJNPRDNSA-N 0 0 414.332 6.948 40 30 HKEBRN CCN1c2ccccc2/C(=C\c2cc(C)n(-c3sc(C)c(C)c3C#N)c2C)C1=O ZINC000409201191 559017230 /nfs/dbraw/zinc/01/72/30/559017230.db2.gz OEQCUOKVSLBXAS-UDWIEESQSA-N 0 0 401.535 5.551 40 30 HKEBRN Cc1ccc(/N=C/c2cc(Br)ccc2OCc2cccc(F)c2)c(C)c1 ZINC000409201212 559017236 /nfs/dbraw/zinc/01/72/36/559017236.db2.gz KPBISOFDZLMNMB-DHRITJCHSA-N 0 0 412.302 6.535 40 30 HKEBRN CCOc1cc(/C=N/c2ccc(C)cc2C)cc(Cl)c1OCc1ccccc1F ZINC000409201275 560692817 /nfs/dbraw/zinc/69/28/17/560692817.db2.gz KWKJTGLKKCEDPC-MZJWZYIUSA-N 0 0 411.904 6.824 40 30 HKEBRN C=CCOc1c(Br)cc(Br)cc1/C=N/c1cccc(C)c1C ZINC000409201279 559017232 /nfs/dbraw/zinc/01/72/32/559017232.db2.gz KWZKGZRUEIESSM-SRZZPIQSSA-N 0 0 423.148 6.144 40 30 HKEBRN C=CCc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc(OC)c1O ZINC000409201292 560692916 /nfs/dbraw/zinc/69/29/16/560692916.db2.gz LFVDGQNXFRLJLH-LICLKQGHSA-N 0 0 401.871 5.024 40 30 HKEBRN COc1c(Br)cc(Br)cc1/C=N/c1ccc(C)c(Cl)c1 ZINC000409201295 559017248 /nfs/dbraw/zinc/01/72/48/559017248.db2.gz LDSRGGLDKGSJKT-UFWORHAWSA-N 0 0 417.528 5.933 40 30 HKEBRN CCc1ccc(/N=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000409201325 559017219 /nfs/dbraw/zinc/01/72/19/559017219.db2.gz LMTVHPWGXUOBHL-VULFUBBASA-N 0 0 414.383 6.719 40 30 HKEBRN Cc1c(Cl)cccc1/N=C/c1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1 ZINC000409201328 560692942 /nfs/dbraw/zinc/69/29/42/560692942.db2.gz LOKKMUJKRABBME-KBKYJPHKSA-N 0 0 422.714 7.424 40 30 HKEBRN CCCOc1c(Br)cc(/C=N/c2ccc(C)c(Cl)c2)cc1OCC ZINC000409201354 559017199 /nfs/dbraw/zinc/01/71/99/559017199.db2.gz LTZMNETXHAOHGV-WSDLNYQXSA-N 0 0 410.739 6.349 40 30 HKEBRN COc1cc(/C=N/c2ccc(C)c(C)c2)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409201356 559017264 /nfs/dbraw/zinc/01/72/64/559017264.db2.gz LVOJHOHIOSLVCN-CVKSISIWSA-N 0 0 402.494 5.389 40 30 HKEBRN Cc1ccc(C)c(/N=C/c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)c1 ZINC000409201372 560692933 /nfs/dbraw/zinc/69/29/33/560692933.db2.gz MGXQNFKJBNBPQW-RPPGKUMJSA-N 0 0 402.296 7.079 40 30 HKEBRN CCOc1cc(/C=N/c2cc(C)ccc2C)cc(Cl)c1OCc1ccc(C)cc1 ZINC000409201381 560692941 /nfs/dbraw/zinc/69/29/41/560692941.db2.gz MJVLHNKBALTCHD-JFLMPSFJSA-N 0 0 407.941 6.994 40 30 HKEBRN CC(C)/N=C1\S/C(=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C(=O)N1C(C)C ZINC000409201427 559017210 /nfs/dbraw/zinc/01/72/10/559017210.db2.gz MZPUGCLYLJWWJR-ZVERUENYSA-N 0 0 416.631 6.076 40 30 HKEBRN COc1cc(/C=N/c2ccc(C)cc2)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409201431 560692949 /nfs/dbraw/zinc/69/29/49/560692949.db2.gz MQUAUKWXYUEUJH-VULFUBBASA-N 0 0 422.912 5.734 40 30 HKEBRN C=CCOc1c(Br)cc(/C=N/c2ccc(OCC)cc2)cc1OCC ZINC000409201434 560692997 /nfs/dbraw/zinc/69/29/97/560692997.db2.gz MSIOXRZLXNEKHA-HYARGMPZSA-N 0 0 404.304 5.562 40 30 HKEBRN C#CCOc1ccc(/C=N/c2ccc(Oc3ccccc3)cc2)cc1Br ZINC000409201489 560692993 /nfs/dbraw/zinc/69/29/93/560692993.db2.gz NRBCXDYXNZKRLX-LFVJCYFKSA-N 0 0 406.279 6.004 40 30 HKEBRN Cc1cccc(/N=C/c2cc(Br)ccc2OCc2cccc(F)c2)c1C ZINC000409201516 560693007 /nfs/dbraw/zinc/69/30/07/560693007.db2.gz LVWLIVVTHDCSLJ-DHRITJCHSA-N 0 0 412.302 6.535 40 30 HKEBRN CCCOc1c(Br)cc(/C=N/c2ccc(OCC)cc2)cc1OCC ZINC000409201526 560692980 /nfs/dbraw/zinc/69/29/80/560692980.db2.gz LXLFHRVQINJFMV-HYARGMPZSA-N 0 0 406.320 5.786 40 30 HKEBRN Cc1cccc(/N=C/c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)c1C ZINC000409201622 559017255 /nfs/dbraw/zinc/01/72/55/559017255.db2.gz NCYJEFJYZRWGQU-RPPGKUMJSA-N 0 0 402.296 7.079 40 30 HKEBRN COc1ccc(/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1 ZINC000409201647 560693035 /nfs/dbraw/zinc/69/30/35/560693035.db2.gz NGKJYLUNWQFTAP-DHRITJCHSA-N 0 0 416.304 6.340 40 30 HKEBRN Cc1ccc(Cl)cc1/N=C/c1ccc(OCc2ccccc2Cl)c(Cl)c1 ZINC000409201651 560693019 /nfs/dbraw/zinc/69/30/19/560693019.db2.gz NIMPOCQZTIHLIZ-BRJLIKDPSA-N 0 0 404.724 7.285 40 30 HKEBRN CCCOc1ccc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1OC ZINC000409201656 559017243 /nfs/dbraw/zinc/01/72/43/559017243.db2.gz NHQUCXAQNSSXKF-AEIQVQRHSA-N 0 0 410.583 6.319 40 30 HKEBRN CCCOc1ccc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1OC ZINC000409201659 559017261 /nfs/dbraw/zinc/01/72/61/559017261.db2.gz NHQUCXAQNSSXKF-CIRUFVMISA-N 0 0 410.583 6.319 40 30 HKEBRN C=CCOc1c(Br)cc(Br)cc1/C=N/c1ccc(C)cc1C ZINC000409201669 559017238 /nfs/dbraw/zinc/01/72/38/559017238.db2.gz NKUNPXUWLHLHFH-SRZZPIQSSA-N 0 0 423.148 6.144 40 30 HKEBRN COc1ccc(/N=C/c2cc(Cl)ccc2OS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000409201682 559017223 /nfs/dbraw/zinc/01/72/23/559017223.db2.gz NMYWSWXNGGVBBU-OEAKJJBVSA-N 0 0 415.898 5.175 40 30 HKEBRN CCOc1cc(/C=N/c2ccc(C)c(Cl)c2)ccc1OCc1ccc(Cl)cc1 ZINC000409201703 559017259 /nfs/dbraw/zinc/01/72/59/559017259.db2.gz NLSRQKMTCLEIBX-VULFUBBASA-N 0 0 414.332 7.030 40 30 HKEBRN CCOc1ccc(/N=C/c2ccccc2OS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000409201709 559017202 /nfs/dbraw/zinc/01/72/02/559017202.db2.gz NMFPCJUEGMOCQH-HZHRSRAPSA-N 0 0 415.898 5.257 40 30 HKEBRN Cc1ccc(/N=C/c2cc(Cl)ccc2OS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000409201752 559017246 /nfs/dbraw/zinc/01/72/46/559017246.db2.gz NVEIKEWRRQEVBC-YDZHTSKRSA-N 0 0 420.317 5.820 40 30 HKEBRN Cc1ccc(/N=C/c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)cc1Cl ZINC000409201784 559017217 /nfs/dbraw/zinc/01/72/17/559017217.db2.gz OBHLSGHPUHENDZ-KBKYJPHKSA-N 0 0 422.714 7.424 40 30 HKEBRN COc1ccc(/N=C/c2cc(Cl)ccc2OCc2cccc3ccccc32)cc1 ZINC000409201830 560693153 /nfs/dbraw/zinc/69/31/53/560693153.db2.gz OGPUOKBAUFCJFI-JVWAILMASA-N 0 0 401.893 6.831 40 30 HKEBRN C=CCOc1c(Br)cc(/C=N/c2ccc(C)cc2)cc1Br ZINC000409201833 559017377 /nfs/dbraw/zinc/01/73/77/559017377.db2.gz OHZKPXZNCVNUDM-RGVLZGJSSA-N 0 0 409.121 5.835 40 30 HKEBRN Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/c3ccc(C)cc3C)cc2Cl)cc1 ZINC000409201857 559017389 /nfs/dbraw/zinc/01/73/89/559017389.db2.gz OPGFDLMBDRCDPK-ZVHZXABRSA-N 0 0 413.926 5.784 40 30 HKEBRN Cc1c(Cl)cccc1/N=C/c1c(OCc2ccc(F)cc2)ccc2ccccc21 ZINC000409201863 560693169 /nfs/dbraw/zinc/69/31/69/560693169.db2.gz OQWWHHNBDVZNDY-RWPZCVJISA-N 0 0 403.884 7.270 40 30 HKEBRN CCOc1cc(/C=N/c2ccc(C)cc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409201896 560693126 /nfs/dbraw/zinc/69/31/26/560693126.db2.gz OZJANMXAMOSLPL-OEAKJJBVSA-N 0 0 421.409 5.753 40 30 HKEBRN CCOc1cc(/C=N/c2cc(C)ccc2C)cc(Cl)c1OCc1cccc(F)c1 ZINC000409201932 559017374 /nfs/dbraw/zinc/01/73/74/559017374.db2.gz PFERQMVDZZGDFS-MZJWZYIUSA-N 0 0 411.904 6.824 40 30 HKEBRN CCOc1ccc(/N=C/c2ccc(OS(=O)(=O)c3ccccc3)c(Cl)c2)cc1 ZINC000409201942 560693159 /nfs/dbraw/zinc/69/31/59/560693159.db2.gz OXMRZSRHFKXUOR-HZHRSRAPSA-N 0 0 415.898 5.257 40 30 HKEBRN COc1cc(/C=N/c2cccc(C)c2C)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000409201944 559017348 /nfs/dbraw/zinc/01/73/48/559017348.db2.gz OXQMTYCGCNCQSB-LGJNPRDNSA-N 0 0 414.332 6.948 40 30 HKEBRN CCOc1cc(/C=N/c2ccc(C)c(C)c2)cc(Cl)c1OCc1ccc(F)cc1 ZINC000409201971 559017388 /nfs/dbraw/zinc/01/73/88/559017388.db2.gz PHVILULMAGKZTH-MZJWZYIUSA-N 0 0 411.904 6.824 40 30 HKEBRN CCOc1c(Br)cc(/C=N/c2ccc(C)cc2C)cc1Br ZINC000409201984 560693132 /nfs/dbraw/zinc/69/31/32/560693132.db2.gz PPBJPKCOYKVMNO-KEBDBYFISA-N 0 0 411.137 5.978 40 30 HKEBRN COc1cc(/C=N/c2cc(Cl)ccc2C)cc(Cl)c1OCc1ccc(C)cc1 ZINC000409201993 559017351 /nfs/dbraw/zinc/01/73/51/559017351.db2.gz PUSHPBYKNPQGCV-LGJNPRDNSA-N 0 0 414.332 6.948 40 30 HKEBRN Clc1ccc(OCc2ccc(Br)cc2)c(/C=N/c2ccccc2)c1 ZINC000409202000 560693255 /nfs/dbraw/zinc/69/32/55/560693255.db2.gz PYORXBQTQRNDHJ-YDZHTSKRSA-N 0 0 400.703 6.432 40 30 HKEBRN COc1cc(/C=N/c2cc(C)ccc2C)ccc1OCc1ccc(Br)cc1 ZINC000409202002 559017380 /nfs/dbraw/zinc/01/73/80/559017380.db2.gz PZTOEBWUWIUXGA-AFUMVMLFSA-N 0 0 424.338 6.404 40 30 HKEBRN CCOc1cc(/C=N/c2ccc(CC)cc2)cc(Cl)c1OCc1cccc(F)c1 ZINC000409202018 560693261 /nfs/dbraw/zinc/69/32/61/560693261.db2.gz NQJNVIHWNMGGCT-JFLMPSFJSA-N 0 0 411.904 6.770 40 30 HKEBRN COc1ccc(/N=C/c2cc(Br)ccc2OCc2ccc(F)cc2)cc1 ZINC000409202021 559017371 /nfs/dbraw/zinc/01/73/71/559017371.db2.gz QDZJWUWDZADJEB-ZMOGYAJESA-N 0 0 414.274 5.926 40 30 HKEBRN Cc1cccc(NC(=O)COc2ccc(/C=N/c3cc(C)ccc3C)cc2Cl)c1 ZINC000409202034 559017382 /nfs/dbraw/zinc/01/73/82/559017382.db2.gz NVAXRQLBYLPQQA-VULFUBBASA-N 0 0 406.913 6.033 40 30 HKEBRN Cc1ccc(/N=C/c2cc(Br)ccc2OCC(=O)Nc2ccccc2)cc1 ZINC000409202038 559017368 /nfs/dbraw/zinc/01/73/68/559017368.db2.gz OAFQURKANPVJEW-ZVHZXABRSA-N 0 0 423.310 5.526 40 30 HKEBRN COc1ccc(/N=C/c2cc(Br)ccc2OCc2ccc(C)cc2)cc1 ZINC000409202046 559017376 /nfs/dbraw/zinc/01/73/76/559017376.db2.gz OHNFIBWSYMFMHB-ZVHZXABRSA-N 0 0 410.311 6.096 40 30 HKEBRN Cc1ccc(/N=C\c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)cc1Cl ZINC000409202057 560693235 /nfs/dbraw/zinc/69/32/35/560693235.db2.gz OJBIFTAETNTBBO-UUYOSTAYSA-N 0 0 411.801 6.008 40 30 HKEBRN Cc1ccc(/N=C/c2cc(Br)ccc2OCc2ccccc2Cl)cc1 ZINC000409202061 560693221 /nfs/dbraw/zinc/69/32/21/560693221.db2.gz OLFKFXSXJBSBDK-ZMOGYAJESA-N 0 0 414.730 6.741 40 30 HKEBRN COc1cc(/C=N/c2cccc(Cl)c2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409202064 559017361 /nfs/dbraw/zinc/01/73/61/559017361.db2.gz OMMUHZVQWHNIJF-ZMOGYAJESA-N 0 0 410.857 5.895 40 30 HKEBRN Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/c3cccc(C)c3C)cc2Cl)cc1 ZINC000409202103 559017372 /nfs/dbraw/zinc/01/73/72/559017372.db2.gz OYAQUSYPPZARRN-ZVHZXABRSA-N 0 0 413.926 5.784 40 30 HKEBRN CCOc1cc(/C=N/c2ccc(C)cc2C)cc(Cl)c1OCc1cccc(F)c1 ZINC000409202172 560693238 /nfs/dbraw/zinc/69/32/38/560693238.db2.gz PKKNELTVSQBRLA-MZJWZYIUSA-N 0 0 411.904 6.824 40 30 HKEBRN O=[N+]([O-])c1ccc(COc2ccc(/C=N/c3ccc(Oc4ccccc4)cc3)cc2)cc1 ZINC000409202173 559017385 /nfs/dbraw/zinc/01/73/85/559017385.db2.gz PKNAHXXDQDSKFR-OVVQPSECSA-N 0 0 424.456 6.717 40 30 HKEBRN C=CCOc1c(I)cc(/C=N/c2cc(C)ccc2C)cc1OC ZINC000409202177 559017370 /nfs/dbraw/zinc/01/73/70/559017370.db2.gz PMPLMCZRFGKBIE-CIAFOILYSA-N 0 0 421.278 5.232 40 30 HKEBRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1ccc(/C=N/c2ccccc2)cc1Cl ZINC000409202178 559017369 /nfs/dbraw/zinc/01/73/69/559017369.db2.gz PNISGEMLYBTOAP-BRJLIKDPSA-N 0 0 420.774 6.810 40 30 HKEBRN COc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)cc(Cl)c1OC(C)C ZINC000409202218 559017379 /nfs/dbraw/zinc/01/73/79/559017379.db2.gz QGTKZKBBFDJIEH-SOPDTMHMSA-N 0 0 410.967 5.225 40 30 HKEBRN Cc1cccc(/N=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1C ZINC000409202226 559017375 /nfs/dbraw/zinc/01/73/75/559017375.db2.gz QMERIDJYDLLPSX-LGJNPRDNSA-N 0 0 414.383 6.773 40 30 HKEBRN Cc1cccc(/N=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)c1C ZINC000409202234 560693242 /nfs/dbraw/zinc/69/32/42/560693242.db2.gz QPGJUSLYAMKOEG-LGJNPRDNSA-N 0 0 414.383 6.773 40 30 HKEBRN Brc1ccc(COc2ccc3ccccc3c2/C=N/c2ccccc2)cc1 ZINC000409202257 559017367 /nfs/dbraw/zinc/01/73/67/559017367.db2.gz QVSBLXSPFIOJEZ-WGOQTCKBSA-N 0 0 416.318 6.932 40 30 HKEBRN CCOc1cc(/C=N/c2cccc(C)c2C)cc(Cl)c1OCc1ccc(C)cc1 ZINC000409202258 559017344 /nfs/dbraw/zinc/01/73/44/559017344.db2.gz QGMBBVKBQXUZJV-JFLMPSFJSA-N 0 0 407.941 6.994 40 30 HKEBRN COc1c(Br)cc(/C=N/c2cccc(Cl)c2C)cc1Br ZINC000409202291 560693365 /nfs/dbraw/zinc/69/33/65/560693365.db2.gz QVFIXCDTGHUSNF-UFWORHAWSA-N 0 0 417.528 5.933 40 30 HKEBRN Cc1ccc(/N=C/c2cc(Br)ccc2OCc2ccccc2F)c(C)c1 ZINC000409202292 559017384 /nfs/dbraw/zinc/01/73/84/559017384.db2.gz QVHRWEZQPBSDEJ-DHRITJCHSA-N 0 0 412.302 6.535 40 30 HKEBRN CCOc1ccc(/N=C/c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)cc1 ZINC000409202295 559017378 /nfs/dbraw/zinc/01/73/78/559017378.db2.gz QWMDDUWDJVPYRT-LGJNPRDNSA-N 0 0 418.295 6.861 40 30 HKEBRN CC[C@@H](C)Oc1c(Cl)cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)cc1OC ZINC000409202344 559017007 /nfs/dbraw/zinc/01/70/07/559017007.db2.gz RUYDDSXCUNYZOR-NXRHIUSOSA-N 0 0 424.994 5.615 40 30 HKEBRN CC[C@H](C)Oc1c(Cl)cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)cc1OC ZINC000409202345 559016994 /nfs/dbraw/zinc/01/69/94/559016994.db2.gz RUYDDSXCUNYZOR-OSMDJJLVSA-N 0 0 424.994 5.615 40 30 HKEBRN C#CCOc1c(Br)cc(/C=N/c2ccc(C)cc2C)cc1Br ZINC000409202364 560693344 /nfs/dbraw/zinc/69/33/44/560693344.db2.gz RZUJTJSEAVCUPA-SRZZPIQSSA-N 0 0 421.132 5.591 40 30 HKEBRN C=CCOc1c(Br)cc(/C=N/c2cccc(Cl)c2C)cc1OCC ZINC000409202384 559017009 /nfs/dbraw/zinc/01/70/09/559017009.db2.gz SEUTUFOMFPTLHD-WSDLNYQXSA-N 0 0 408.723 6.125 40 30 HKEBRN COc1cc(/C=N/c2cc(Cl)ccc2C)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409202413 559016997 /nfs/dbraw/zinc/01/69/97/559016997.db2.gz QJUNTFYLVPHATB-VULFUBBASA-N 0 0 422.912 5.734 40 30 HKEBRN CCOc1cc(/C=N/c2ccccc2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1 ZINC000409202429 560693370 /nfs/dbraw/zinc/69/33/70/560693370.db2.gz QNLJFUDZDWTSEM-CVKSISIWSA-N 0 0 422.912 5.815 40 30 HKEBRN CCOc1cc(/C=N/c2ccc(CC)cc2)ccc1OS(=O)(=O)c1ccccc1 ZINC000409202443 560693340 /nfs/dbraw/zinc/69/33/40/560693340.db2.gz QRYMOFOOXCDJDE-JJIBRWJFSA-N 0 0 409.507 5.166 40 30 HKEBRN Clc1cc(/C=N/c2ccccc2)ccc1OCc1ccc(Br)cc1 ZINC000409202453 559017042 /nfs/dbraw/zinc/01/70/42/559017042.db2.gz QVEXXKXSSJAHMQ-YDZHTSKRSA-N 0 0 400.703 6.432 40 30 HKEBRN O=[N+]([O-])c1ccc(COc2cccc(/C=N\c3ccc(Oc4ccccc4)cc3)c2)cc1 ZINC000409202465 559017173 /nfs/dbraw/zinc/01/71/73/559017173.db2.gz QWYFFMHBAFSRHI-IMRQLAEWSA-N 0 0 424.456 6.717 40 30 HKEBRN C=CCOc1c(I)cc(/C=N/c2ccc(C)cc2C)cc1OC ZINC000409202476 560693356 /nfs/dbraw/zinc/69/33/56/560693356.db2.gz QZSSJFLEFHVMNM-CIAFOILYSA-N 0 0 421.278 5.232 40 30 HKEBRN COc1cc(/C=N/c2cccc(Cl)c2C)cc(I)c1OC ZINC000409202533 559017149 /nfs/dbraw/zinc/01/71/49/559017149.db2.gz RAMYAPPRZHEOAO-DJKKODMXSA-N 0 0 415.658 5.021 40 30 HKEBRN CCOc1ccc(/N=C/c2ccc(OCC(=O)Nc3cccc(C)c3)c(OC)c2)cc1 ZINC000409202599 560693380 /nfs/dbraw/zinc/69/33/80/560693380.db2.gz RXRCTEIZHLAWIE-WGOQTCKBSA-N 0 0 418.493 5.170 40 30 HKEBRN CCOc1c(Br)cc(/C=N/c2cc(C)ccc2C)cc1Br ZINC000409202603 560693388 /nfs/dbraw/zinc/69/33/88/560693388.db2.gz RZULMHRIYANTEZ-KEBDBYFISA-N 0 0 411.137 5.978 40 30 HKEBRN Cc1ccc(COc2ccc(Br)cc2/C=N/c2ccc(C)c(C)c2)cc1 ZINC000409202621 560693478 /nfs/dbraw/zinc/69/34/78/560693478.db2.gz SFJWGLSETSMXNI-AFUMVMLFSA-N 0 0 408.339 6.704 40 30 HKEBRN COc1cc(/C=N/c2ccc(C)c(Cl)c2)cc(Cl)c1OCc1ccc(C)cc1 ZINC000409202647 559017157 /nfs/dbraw/zinc/01/71/57/559017157.db2.gz SKPBJHDGYLUJEQ-LGJNPRDNSA-N 0 0 414.332 6.948 40 30 HKEBRN COc1cc(/C=N/c2cccc(C)c2C)cc(Cl)c1OCC(=O)Nc1ccccc1 ZINC000409202648 559017143 /nfs/dbraw/zinc/01/71/43/559017143.db2.gz SLCKRGMLGIWNHD-VULFUBBASA-N 0 0 422.912 5.734 40 30 HKEBRN COc1cc(/C=N/c2ccc(C)c(Cl)c2)cc(Cl)c1OCc1ccc(F)cc1 ZINC000409202657 559017154 /nfs/dbraw/zinc/01/71/54/559017154.db2.gz SPGIPNBRADYWFD-RPPGKUMJSA-N 0 0 418.295 6.779 40 30 HKEBRN CCOc1cc(/C=N/c2ccccc2C)cc(I)c1OCC ZINC000409202703 559017155 /nfs/dbraw/zinc/01/71/55/559017155.db2.gz TWUPFHOQRSJCNH-UDWIEESQSA-N 0 0 409.267 5.148 40 30 HKEBRN CCOc1ccc(/N=C/c2cc(Cl)c(OCc3ccccc3F)c(OC)c2)cc1 ZINC000409202721 560693454 /nfs/dbraw/zinc/69/34/54/560693454.db2.gz UJDDUJRBUDUDLJ-VULFUBBASA-N 0 0 413.876 6.216 40 30 HKEBRN Cc1cccc(/N=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)c1C ZINC000409202729 559017266 /nfs/dbraw/zinc/01/72/66/559017266.db2.gz RQRAAKTWYMESIN-RPPGKUMJSA-N 0 0 418.751 7.593 40 30 HKEBRN Cc1ccc(/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)c(C)c1 ZINC000409202751 559017152 /nfs/dbraw/zinc/01/71/52/559017152.db2.gz RYWBEOKGVFBDJR-RPPGKUMJSA-N 0 0 418.751 7.593 40 30 HKEBRN CCc1ccc(/N=C/c2ccccc2OCC(=O)Nc2ccc(C)c(Cl)c2)cc1 ZINC000409202775 559017641 /nfs/dbraw/zinc/01/76/41/559017641.db2.gz SCDWXXQELBDTNM-CVKSISIWSA-N 0 0 406.913 5.979 40 30 HKEBRN Cc1c(Cl)cccc1/N=C/c1cc(Br)ccc1OCc1ccccc1 ZINC000409202780 559017602 /nfs/dbraw/zinc/01/76/02/559017602.db2.gz SCRPBWAZPJXBQP-ZMOGYAJESA-N 0 0 414.730 6.741 40 30 HKEBRN Cc1ccccc1/N=C/c1cc(Cl)c(OCC(=O)Nc2ccccc2)c(Cl)c1 ZINC000409202816 559017596 /nfs/dbraw/zinc/01/75/96/559017596.db2.gz SOZWLACHLQVRIC-DHRITJCHSA-N 0 0 413.304 6.070 40 30 HKEBRN Cc1ccc(/N=C/c2c(OCc3ccccc3F)ccc3ccccc32)cc1Cl ZINC000409202840 560693453 /nfs/dbraw/zinc/69/34/53/560693453.db2.gz TVNOVMLJLBOGAP-RWPZCVJISA-N 0 0 403.884 7.270 40 30 HKEBRN CCOc1cc(/C=N/c2ccc(C)c(C)c2)ccc1OCc1cccc2ccccc21 ZINC000409202846 560693487 /nfs/dbraw/zinc/69/34/87/560693487.db2.gz TYBMENOSMVECJA-RDRPBHBLSA-N 0 0 409.529 7.185 40 30 HKEBRN CCc1ccc(/N=C/c2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)cc1 ZINC000409202849 560693607 /nfs/dbraw/zinc/69/36/07/560693607.db2.gz TYQODHPGEIRYAH-LGJNPRDNSA-N 0 0 418.751 7.539 40 30 HKEBRN COc1cc(/C=N/c2cc(Cl)ccc2C)ccc1OCc1cccc2ccccc21 ZINC000409202850 559017606 /nfs/dbraw/zinc/01/76/06/559017606.db2.gz TZHOHEIHQSNYNF-LQKURTRISA-N 0 0 415.920 7.140 40 30 HKEBRN Cc1ccc(/N=C/c2c(OS(=O)(=O)c3ccccc3)ccc3ccccc32)c(C)c1 ZINC000409202855 560693634 /nfs/dbraw/zinc/69/36/34/560693634.db2.gz SQZZNHHOENDLKO-YZSQISJMSA-N 0 0 415.514 5.975 40 30 HKEBRN COc1cc(/C=N/c2cc(C)ccc2C)cc(Br)c1OCc1ccccc1 ZINC000409202856 560693592 /nfs/dbraw/zinc/69/35/92/560693592.db2.gz SRVZDFIWEPOUKC-AFUMVMLFSA-N 0 0 424.338 6.404 40 30 HKEBRN Cc1ccc(Cl)cc1/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000409202862 559017617 /nfs/dbraw/zinc/01/76/17/559017617.db2.gz STALXKBSQGRCFS-WSDLNYQXSA-N 0 0 411.801 6.008 40 30 HKEBRN CCOc1cc(/C=N/c2ccccc2C)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409202952 560693582 /nfs/dbraw/zinc/69/35/82/560693582.db2.gz VKRHNMAVQVDUII-WGOQTCKBSA-N 0 0 402.494 5.470 40 30 HKEBRN Cc1ccc(Cl)cc1/N=C/c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1 ZINC000409202960 560693601 /nfs/dbraw/zinc/69/36/01/560693601.db2.gz ULEVFUFLZMUXDO-BRJLIKDPSA-N 0 0 404.724 7.285 40 30 HKEBRN COc1cc(/C=N/c2ccc(C)c(C)c2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409202973 559017611 /nfs/dbraw/zinc/01/76/11/559017611.db2.gz TYXWBMDDMZMNFF-YDZHTSKRSA-N 0 0 421.409 5.671 40 30 HKEBRN Cc1ccc(C)c(/N=C/c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)c1 ZINC000409203003 560693568 /nfs/dbraw/zinc/69/35/68/560693568.db2.gz UCFZYDPFHNUHSI-RPPGKUMJSA-N 0 0 418.751 7.593 40 30 HKEBRN Cc1ccc(/N=C/c2cc(Cl)ccc2OS(=O)(=O)c2ccccc2)cc1Cl ZINC000409203038 560693631 /nfs/dbraw/zinc/69/36/31/560693631.db2.gz VSUMOVJPFPNKDH-YDZHTSKRSA-N 0 0 420.317 5.820 40 30 HKEBRN Cc1c(Cl)cccc1/N=C/c1ccccc1OCc1ccc(Br)cc1 ZINC000409203077 560693590 /nfs/dbraw/zinc/69/35/90/560693590.db2.gz VYMSXKLVXDJEQZ-ZMOGYAJESA-N 0 0 414.730 6.741 40 30 HKEBRN COc1cc(/C=N/c2ccc(C)c(C)c2)cc(Br)c1OCc1ccccc1 ZINC000409203081 560693586 /nfs/dbraw/zinc/69/35/86/560693586.db2.gz VYSOTEKUMRTEDU-AFUMVMLFSA-N 0 0 424.338 6.404 40 30 HKEBRN Cc1ccc(Cl)cc1/N=C/c1c(OCc2cccc(Cl)c2)ccc2ccccc21 ZINC000409203115 560693626 /nfs/dbraw/zinc/69/36/26/560693626.db2.gz VCPBHWMVSKEKRP-RWPZCVJISA-N 0 0 420.339 7.785 40 30 HKEBRN CC(C)/N=C1\S/C(=C/c2ccc(N3CCCC3)c3ccccc23)C(=O)N1C(C)C ZINC000409203141 559017748 /nfs/dbraw/zinc/01/77/48/559017748.db2.gz VJXZYLAFELLUOP-LBMUFILHSA-N 0 0 407.583 5.529 40 30 HKEBRN CCOc1cc(/C=N/c2ccc(C)cc2)cc(Cl)c1OCc1ccccc1Cl ZINC000409203148 559017746 /nfs/dbraw/zinc/01/77/46/559017746.db2.gz WJIAVNFSNFDIPD-VULFUBBASA-N 0 0 414.332 7.030 40 30 HKEBRN CCOc1ccc(/N=C/c2c(OCc3ccccc3Cl)ccc3ccccc32)cc1 ZINC000409203155 560693722 /nfs/dbraw/zinc/69/37/22/560693722.db2.gz VMUZYSOHEJTFMU-OGLMXYFKSA-N 0 0 415.920 7.222 40 30 HKEBRN CCOc1cc(/C=N/c2ccc(C)c(C)c2)cc(Cl)c1OCc1ccc(C)cc1 ZINC000409203194 560693706 /nfs/dbraw/zinc/69/37/06/560693706.db2.gz VRTKSCXKYKCGLQ-JFLMPSFJSA-N 0 0 407.941 6.994 40 30 HKEBRN Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(/C=N/c3ccccc3)cc2Cl)cc1 ZINC000409203203 560693718 /nfs/dbraw/zinc/69/37/18/560693718.db2.gz WOIRIKAKDCWCFX-YDZHTSKRSA-N 0 0 420.317 5.820 40 30 HKEBRN C#CCOc1c(Br)cc(Br)cc1/C=N/c1cc(C)ccc1C ZINC000409203233 560693720 /nfs/dbraw/zinc/69/37/20/560693720.db2.gz WCDPSXJRAYNDGM-SRZZPIQSSA-N 0 0 421.132 5.591 40 30 HKEBRN Cc1ccc(Cl)cc1/N=C/c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000409203266 560693716 /nfs/dbraw/zinc/69/37/16/560693716.db2.gz VCBRNEMKJCHADB-ZMOGYAJESA-N 0 0 414.730 6.741 40 30 HKEBRN CCOc1cc(/C=N/c2ccc(C)cc2)cc(Br)c1OCc1ccccc1 ZINC000409203270 559017383 /nfs/dbraw/zinc/01/73/83/559017383.db2.gz WVFJKDJMCCKGBU-MFKUBSTISA-N 0 0 424.338 6.486 40 30 HKEBRN Cc1ccc(Cl)cc1/N=C/c1ccccc1OCc1ccc(Br)cc1 ZINC000409203271 559017373 /nfs/dbraw/zinc/01/73/73/559017373.db2.gz WVPSLIUFQLAYRQ-ZMOGYAJESA-N 0 0 414.730 6.741 40 30 HKEBRN Clc1ccc(COc2cccc(/C=N\c3ccc(Oc4ccccc4)cc3)c2)cc1 ZINC000409203283 560693710 /nfs/dbraw/zinc/69/37/10/560693710.db2.gz WYJZTEHZCVMOQC-VEILYXNESA-N 0 0 413.904 7.462 40 30 HKEBRN CCOc1cc(/C=N/c2cccc(Cl)c2C)ccc1OCc1ccc(Cl)cc1 ZINC000409203299 560693729 /nfs/dbraw/zinc/69/37/29/560693729.db2.gz WZQITYRBPCLKBN-VULFUBBASA-N 0 0 414.332 7.030 40 30 HKEBRN CCOc1c(Br)cc(/C=N/c2cccc(C)c2C)cc1Br ZINC000409203326 559017387 /nfs/dbraw/zinc/01/73/87/559017387.db2.gz VOKLCSVASOXITI-KEBDBYFISA-N 0 0 411.137 5.978 40 30 HKEBRN COc1cc(/C=N/c2ccccc2)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000409203347 559017381 /nfs/dbraw/zinc/01/73/81/559017381.db2.gz VQMDLRWMMVCTEV-OEAKJJBVSA-N 0 0 415.898 5.175 40 30 HKEBRN FC(F)(F)c1ccccc1-c1ccc(C=NNc2ccc(Br)cc2)o1 ZINC000409203375 560693733 /nfs/dbraw/zinc/69/37/33/560693733.db2.gz VUHSSHMOFONLFN-FOKLQQMPSA-N 0 0 409.205 6.174 40 30 HKEBRN Cc1c(Cl)cccc1/N=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc21 ZINC000409203378 560693711 /nfs/dbraw/zinc/69/37/11/560693711.db2.gz VWDWUEIOVBRBGB-RWPZCVJISA-N 0 0 420.339 7.785 40 30 HKEBRN Cc1ccc(/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1Cl ZINC000409203388 560693730 /nfs/dbraw/zinc/69/37/30/560693730.db2.gz XRCGVYWDWDVRHO-BRJLIKDPSA-N 0 0 404.724 7.285 40 30 HKEBRN Cc1ccc(C)c(/N=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)c1 ZINC000409203398 559017479 /nfs/dbraw/zinc/01/74/79/559017479.db2.gz WYDOBXMMDGJTRZ-RPPGKUMJSA-N 0 0 418.751 7.593 40 30 HKEBRN CCOc1cc(/C=N/c2ccc(C)cc2C)cc(Cl)c1OCc1ccc(C)cc1 ZINC000409203412 559017468 /nfs/dbraw/zinc/01/74/68/559017468.db2.gz WZPVZHFPSYSGAU-JFLMPSFJSA-N 0 0 407.941 6.994 40 30 HKEBRN Cc1c(Cl)cccc1/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000409203417 559017416 /nfs/dbraw/zinc/01/74/16/559017416.db2.gz XAHAKRRIWKOVFH-WSDLNYQXSA-N 0 0 411.801 6.008 40 30 HKEBRN Cc1ccc(/N=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2)cc1 ZINC000409203428 560693728 /nfs/dbraw/zinc/69/37/28/560693728.db2.gz XCBNVNZLSLKCKI-ZMOGYAJESA-N 0 0 414.730 6.741 40 30 HKEBRN Cc1ccc(-c2ccc(/C=N\c3sc4c(c3C#N)C3CCN4CC3)o2)c([N+](=O)[O-])c1 ZINC000409203445 560693809 /nfs/dbraw/zinc/69/38/09/560693809.db2.gz WJOCBZMQFUUIEA-MSXFZWOLSA-N 0 0 418.478 5.544 40 30 HKEBRN CCc1ccc(/N=C/c2cc(Br)ccc2OCc2cccc(F)c2)cc1 ZINC000409203460 559017477 /nfs/dbraw/zinc/01/74/77/559017477.db2.gz WMVYIUMAYBADPR-AFUMVMLFSA-N 0 0 412.302 6.480 40 30 HKEBRN Cc1c(Cl)cccc1/N=C/c1c(OCc2ccccc2F)ccc2ccccc21 ZINC000409203464 559017449 /nfs/dbraw/zinc/01/74/49/559017449.db2.gz YDCAQEQATYHHGV-RWPZCVJISA-N 0 0 403.884 7.270 40 30 HKEBRN CCOc1c(Br)cc(Br)cc1/C=N/c1ccc(CC)cc1 ZINC000409203470 559017471 /nfs/dbraw/zinc/01/74/71/559017471.db2.gz XFZIMWVDXKTZRE-RGVLZGJSSA-N 0 0 411.137 5.923 40 30 HKEBRN CCOc1cc(/C=N/c2ccc(CC)cc2)ccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000409203500 560693811 /nfs/dbraw/zinc/69/38/11/560693811.db2.gz XMNIVIUXXFICAR-KOEQRZSOSA-N 0 0 423.534 5.474 40 30 HKEBRN Cc1ccc(/N=C/c2ccc(OCc3cccc(F)c3)c(Br)c2)cc1C ZINC000409203527 560693783 /nfs/dbraw/zinc/69/37/83/560693783.db2.gz WWMLWPDJDMZYPI-DHRITJCHSA-N 0 0 412.302 6.535 40 30 HKEBRN Clc1cccc(COc2cccc(/C=N\c3ccc(Oc4ccccc4)cc3)c2)c1 ZINC000409203545 559017457 /nfs/dbraw/zinc/01/74/57/559017457.db2.gz XTUBXQSRKGHOLS-VEILYXNESA-N 0 0 413.904 7.462 40 30 HKEBRN CCc1ccc(/N=C/c2ccc(OCc3cccc(F)c3)c(Br)c2)cc1 ZINC000409203559 559017412 /nfs/dbraw/zinc/01/74/12/559017412.db2.gz YCUSXJJEYQISOG-AFUMVMLFSA-N 0 0 412.302 6.480 40 30 HKEBRN Cc1ccc(/N=C\c2cccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c2)c(C)c1 ZINC000409203587 559017452 /nfs/dbraw/zinc/01/74/52/559017452.db2.gz YVGMTFNRRVGIRC-WGARJPEWSA-N 0 0 406.913 6.033 40 30 HKEBRN CC(C)/N=C1\S/C(=C/c2ccc(OCc3ccc(F)cc3)cc2)C(=O)N1C(C)C ZINC000409203603 559017441 /nfs/dbraw/zinc/01/74/41/559017441.db2.gz ZBWUDGXLUBVDBR-RRJMXWIWSA-N 0 0 412.530 5.494 40 30 HKEBRN COc1cc(/C=N/c2ccccc2C)cc(Cl)c1OS(=O)(=O)c1ccccc1 ZINC000409203615 560693773 /nfs/dbraw/zinc/69/37/73/560693773.db2.gz ZIDKQWYKFSJUBK-OEAKJJBVSA-N 0 0 415.898 5.175 40 30 HKEBRN COc1ccc(-n2c(C)cc(/C=C3/S/C(=N\C(C)C)N(C(C)C)C3=O)c2C)cc1 ZINC000409203641 560693806 /nfs/dbraw/zinc/69/38/06/560693806.db2.gz ZQOPXHWTIBBZSX-GRUKXCDCSA-N 0 0 411.571 5.192 40 30 HKEBRN CCOc1cc(/C=N/c2ccccc2)cc(Cl)c1OS(=O)(=O)c1ccccc1 ZINC000409203645 559017465 /nfs/dbraw/zinc/01/74/65/559017465.db2.gz ZRMRUHFYMWAPLC-HZHRSRAPSA-N 0 0 415.898 5.257 40 30 HKEBRN COc1cc(/C=N/c2ccccc2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409203677 559017437 /nfs/dbraw/zinc/01/74/37/559017437.db2.gz XCZSFGFLHIUYGD-DHRITJCHSA-N 0 0 416.355 6.165 40 30 HKEBRN CCc1ccc(/N=C/c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)cc1 ZINC000409203680 559017473 /nfs/dbraw/zinc/01/74/73/559017473.db2.gz XDTXJQDRZFMWCD-LGJNPRDNSA-N 0 0 402.296 7.025 40 30 HKEBRN C=CCOc1ccc(/C=N/c2ccc(Oc3ccccc3)cc2)cc1Br ZINC000409203695 560693800 /nfs/dbraw/zinc/69/38/00/560693800.db2.gz XGUVTNUXXVJXCU-LFVJCYFKSA-N 0 0 408.295 6.557 40 30 HKEBRN CCCOc1c(I)cc(/C=N/c2cccc(C)c2C)cc1OC ZINC000409203701 560693784 /nfs/dbraw/zinc/69/37/84/560693784.db2.gz XHZOHXIYKJZAHO-CIAFOILYSA-N 0 0 423.294 5.456 40 30 HKEBRN CCCOc1c(I)cc(/C=N/c2ccc(C)cc2)cc1OCC ZINC000409203721 560693803 /nfs/dbraw/zinc/69/38/03/560693803.db2.gz XNOXTQQJJFJSCN-FYJGNVAPSA-N 0 0 423.294 5.538 40 30 HKEBRN Cc1cc(/C=N\c2ccc(C)cc2Br)c(C)n1NC(=O)c1ccccc1 ZINC000409203732 560693813 /nfs/dbraw/zinc/69/38/13/560693813.db2.gz XNVHKVWNMPJADU-QRVIBDJDSA-N 0 0 410.315 5.310 40 30 HKEBRN Cc1cc(/C=N/c2ccc(Br)c(C)c2)c(C)n1NC(=O)c1ccccc1 ZINC000409203755 560693814 /nfs/dbraw/zinc/69/38/14/560693814.db2.gz XUKKIYQULLEBSW-YDZHTSKRSA-N 0 0 410.315 5.310 40 30 HKEBRN Cc1ccc(C)c(/N=C/c2ccccc2OCC(=O)Nc2ccc(C)c(Cl)c2)c1 ZINC000409203766 560693945 /nfs/dbraw/zinc/69/39/45/560693945.db2.gz XVTGQVFHCVZYHL-VULFUBBASA-N 0 0 406.913 6.033 40 30 HKEBRN CCc1ccc(/N=C/c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)cc1 ZINC000409203769 559017447 /nfs/dbraw/zinc/01/74/47/559017447.db2.gz YROXMELCCYALFX-LGJNPRDNSA-N 0 0 418.751 7.539 40 30 HKEBRN CCOc1ccc(/N=C/c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)cc2)cc1 ZINC000409203772 560693906 /nfs/dbraw/zinc/69/39/06/560693906.db2.gz YRPYKLQMPODLBB-HZHRSRAPSA-N 0 0 415.898 5.257 40 30 HKEBRN CCOc1cc(/C=N/c2ccc(C)c(C)c2)cc(I)c1OC ZINC000409203796 560693931 /nfs/dbraw/zinc/69/39/31/560693931.db2.gz YCBJHUTXOADBJQ-RGVLZGJSSA-N 0 0 409.267 5.066 40 30 HKEBRN COc1cc(/C=N/c2cc(Cl)ccc2C)cc(Cl)c1OCc1ccccc1 ZINC000409203801 560693949 /nfs/dbraw/zinc/69/39/49/560693949.db2.gz YCNSFYKEOPBVTK-DHRITJCHSA-N 0 0 400.305 6.640 40 30 HKEBRN Cc1ccccc1/N=C/c1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc21 ZINC000409203803 559017475 /nfs/dbraw/zinc/01/74/75/559017475.db2.gz YCODNJNQFYLBSN-RWPZCVJISA-N 0 0 420.339 7.785 40 30 HKEBRN Cc1ccc(/N=C/c2c(OCc3ccccc3Cl)ccc3ccccc32)cc1Cl ZINC000409203810 559017463 /nfs/dbraw/zinc/01/74/63/559017463.db2.gz YDDRMQPYAMWYMR-RWPZCVJISA-N 0 0 420.339 7.785 40 30 HKEBRN CCCCCCCOc1ccc(/C=C2\N=C(c3ccc(C)c(Cl)c3)OC2=O)cc1 ZINC000409203840 560693940 /nfs/dbraw/zinc/69/39/40/560693940.db2.gz ZVQFKRYUYYLPHH-JCMHNJIXSA-N 0 0 411.929 6.342 40 30 HKEBRN CCOc1ccc(/N=C/c2cc(Cl)ccc2OCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000409203853 560693929 /nfs/dbraw/zinc/69/39/29/560693929.db2.gz YJGQVDSIJKIYEK-ZVHZXABRSA-N 0 0 410.857 5.977 40 30 HKEBRN COc1cc(/C=N/c2cc(Cl)ccc2C)ccc1OCc1ccccc1Cl ZINC000409203878 559017418 /nfs/dbraw/zinc/01/74/18/559017418.db2.gz YRCDPLOMVYSYII-DHRITJCHSA-N 0 0 400.305 6.640 40 30 HKEBRN COc1cc(/C=N/c2ccccc2C)cc(Cl)c1OCc1cccc2ccccc21 ZINC000409203894 560693938 /nfs/dbraw/zinc/69/39/38/560693938.db2.gz YYAAEGRHNAOJAS-LQKURTRISA-N 0 0 415.920 7.140 40 30 HKEBRN CCOc1cc(/C=N/c2ccccc2)ccc1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409203947 560693901 /nfs/dbraw/zinc/69/39/01/560693901.db2.gz ZTQMUODHARZPNV-HZHRSRAPSA-N 0 0 415.898 5.257 40 30 HKEBRN Clc1cccc(COc2ccc(/C=N/c3ccccc3)cc2Br)c1 ZINC000409203957 559017432 /nfs/dbraw/zinc/01/74/32/559017432.db2.gz ZZOWSNBGYSNOFV-YDZHTSKRSA-N 0 0 400.703 6.432 40 30 HKEBRN CCN1c2ccccc2/C(=C\c2cn(Cc3ccccc3C#N)c3ccccc23)C1=O ZINC000409204398 559017585 /nfs/dbraw/zinc/01/75/85/559017585.db2.gz GRVZTRXKMYWICX-BUVRLJJBSA-N 0 0 403.485 5.468 40 30 HKEBRN C=CCOc1c(Br)cc(CNc2ccc(Cl)c(Cl)c2)cc1OC ZINC000409206081 560694321 /nfs/dbraw/zinc/69/43/21/560694321.db2.gz HKYDFARICILYCB-UHFFFAOYSA-N 0 0 417.130 5.941 40 30 HKEBRN C=CCOc1c(I)cc(/C=N/c2cccc(C)c2C)cc1OC ZINC000409206684 560691191 /nfs/dbraw/zinc/69/11/91/560691191.db2.gz ZYHDHZAQPKYURN-CIAFOILYSA-N 0 0 421.278 5.232 40 30 HKEBRN COc1ccc(/N=C/c2c(OCC(=O)Nc3ccccc3)ccc3ccccc32)cc1 ZINC000409207826 559018677 /nfs/dbraw/zinc/01/86/77/559018677.db2.gz AUCOFGVMZNIRMU-WPWMEQJKSA-N 0 0 410.473 5.617 40 30 HKEBRN CCOc1cc(/C=N/c2ccc(C)cc2)ccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000409207827 559018620 /nfs/dbraw/zinc/01/86/20/559018620.db2.gz AUICGPNPTQQRAA-LFVJCYFKSA-N 0 0 409.507 5.220 40 30 HKEBRN COc1cc(/C=N/c2cc(C)ccc2C)ccc1OCc1ccc(Cl)cc1Cl ZINC000409207854 559018713 /nfs/dbraw/zinc/01/87/13/559018713.db2.gz BJFADOMWNJEUMC-LGJNPRDNSA-N 0 0 414.332 6.948 40 30 HKEBRN Cc1ccc(/N=C/c2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)c(C)c1 ZINC000409207872 559018720 /nfs/dbraw/zinc/01/87/20/559018720.db2.gz BTVINICWXFQLIK-RPPGKUMJSA-N 0 0 418.751 7.593 40 30 HKEBRN COc1cc(/C=N/c2ccc(C)cc2C)cc(Cl)c1OCc1cccc(Cl)c1 ZINC000409207879 559018760 /nfs/dbraw/zinc/01/87/60/559018760.db2.gz BWEXRCNRKXVDTP-LGJNPRDNSA-N 0 0 414.332 6.948 40 30 HKEBRN Cc1ccc(/N=C/c2cc(Cl)ccc2OCc2ccccc2Cl)cc1Cl ZINC000409207882 560691592 /nfs/dbraw/zinc/69/15/92/560691592.db2.gz BWRINGDSQRKDMW-BRJLIKDPSA-N 0 0 404.724 7.285 40 30 HKEBRN CCOc1cc(/C=N/c2ccc(C)cc2C)ccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000409207898 559018875 /nfs/dbraw/zinc/01/88/75/559018875.db2.gz CHGIBTAAVSOVAK-PCLIKHOPSA-N 0 0 423.534 5.529 40 30 HKEBRN Cc1ccc(/N=C/c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)c(C)c1 ZINC000409207902 560691624 /nfs/dbraw/zinc/69/16/24/560691624.db2.gz CIXWNECKRXXVLI-RPPGKUMJSA-N 0 0 402.296 7.079 40 30 HKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(/N=C/c3cc([N+](=O)[O-])ccc3Cl)sc2C1 ZINC000409207922 559018940 /nfs/dbraw/zinc/01/89/40/559018940.db2.gz CPWMLVLFVBTVTB-HJQVIKLGSA-N 0 0 401.919 6.083 40 30 HKEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(/N=C/c3cc([N+](=O)[O-])ccc3Cl)sc2C1 ZINC000409207923 560691620 /nfs/dbraw/zinc/69/16/20/560691620.db2.gz CPWMLVLFVBTVTB-HKNSOBRKSA-N 0 0 401.919 6.083 40 30 HKEBRN COc1cc(/C=N/c2ccc(C)c(Cl)c2)ccc1OCc1ccccc1Cl ZINC000409207932 560691618 /nfs/dbraw/zinc/69/16/18/560691618.db2.gz CTYSDNWAVULSAP-DHRITJCHSA-N 0 0 400.305 6.640 40 30 HKEBRN COc1ccc(/N=C/c2ccc(OCc3ccc(C)cc3)c(Br)c2)cc1 ZINC000409207940 559018934 /nfs/dbraw/zinc/01/89/34/559018934.db2.gz CXZRFRYCWUCQPB-ZVHZXABRSA-N 0 0 410.311 6.096 40 30 HKEBRN CCOc1cc(/C=N/c2cccc(C)c2C)ccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000409207956 560691582 /nfs/dbraw/zinc/69/15/82/560691582.db2.gz DHPPRPGEPWVTNV-PCLIKHOPSA-N 0 0 423.534 5.529 40 30 HKEBRN Cc1ccc(/N=C\c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)cc1 ZINC000409207986 559019066 /nfs/dbraw/zinc/01/90/66/559019066.db2.gz ABAFCCYFGURMNQ-MXAYSNPKSA-N 0 0 400.356 6.465 40 30 HKEBRN CCOc1ccc(/N=C\c2cccc(OS(=O)(=O)c3ccc(Cl)cc3)c2)cc1 ZINC000409207988 559019081 /nfs/dbraw/zinc/01/90/81/559019081.db2.gz DPRIEAWXCYZJLY-HAHDFKILSA-N 0 0 415.898 5.257 40 30 HKEBRN CCOc1cc(/C=N/c2cc(Cl)ccc2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409207992 559019037 /nfs/dbraw/zinc/01/90/37/559019037.db2.gz ABJDAFBSOYNGAS-AFUMVMLFSA-N 0 0 424.884 6.285 40 30 HKEBRN CCOc1ccc(/N=C/c2ccc(OCc3cccc(Cl)c3)c(OCC)c2)cc1 ZINC000409208000 559019034 /nfs/dbraw/zinc/01/90/34/559019034.db2.gz ABYDQPPLSQFFCM-WGOQTCKBSA-N 0 0 409.913 6.467 40 30 HKEBRN CCOc1cc(/C=N/c2ccc(C)cc2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000409208008 559019005 /nfs/dbraw/zinc/01/90/05/559019005.db2.gz DSSIEEGHBRFYLH-VULFUBBASA-N 0 0 414.332 7.030 40 30 HKEBRN CCCOc1c(I)cc(/C=N/c2ccc(C)cc2)cc1OC ZINC000409208020 560691601 /nfs/dbraw/zinc/69/16/01/560691601.db2.gz DWGVBDHGZBEZOP-UDWIEESQSA-N 0 0 409.267 5.148 40 30 HKEBRN CCCOc1ccc(Br)cc1/C=N/c1ccc(Oc2ccccc2)cc1 ZINC000409208022 560691635 /nfs/dbraw/zinc/69/16/35/560691635.db2.gz DWIWUQXRVXHQDC-LFVJCYFKSA-N 0 0 410.311 6.781 40 30 HKEBRN COc1cc(Br)c(/C=N/c2ccc(Oc3ccccc3)cc2)cc1OC ZINC000409208026 560691615 /nfs/dbraw/zinc/69/16/15/560691615.db2.gz AHJLVRYTDLLEKB-OEAKJJBVSA-N 0 0 412.283 6.009 40 30 HKEBRN Cc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2/C=N/c2cc(C)ccc2C)cc1 ZINC000409208031 560691641 /nfs/dbraw/zinc/69/16/41/560691641.db2.gz AIGVLQJBKOOISP-ZVHZXABRSA-N 0 0 413.926 5.784 40 30 HKEBRN Cc1cccc(NC(=O)COc2ccc(Cl)cc2/C=N/c2ccc(C)cc2C)c1 ZINC000409208034 560691611 /nfs/dbraw/zinc/69/16/11/560691611.db2.gz AIVVSPJHDVYMBV-VULFUBBASA-N 0 0 406.913 6.033 40 30 HKEBRN COc1cc(/C=N/c2ccc(C)c(C)c2)ccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000409208045 560691594 /nfs/dbraw/zinc/69/15/94/560691594.db2.gz AKGWYWIATBMESM-BUVRLJJBSA-N 0 0 409.507 5.139 40 30 HKEBRN COc1ccc(/N=C/c2ccc(OCc3ccccc3F)c(Br)c2)cc1 ZINC000409208047 559019079 /nfs/dbraw/zinc/01/90/79/559019079.db2.gz ALPOCMINYGSQLU-ZMOGYAJESA-N 0 0 414.274 5.926 40 30 HKEBRN Cc1ccc(/N=C/c2ccccc2OCC(=O)Nc2ccc(C)c(Cl)c2)c(C)c1 ZINC000409208059 560691713 /nfs/dbraw/zinc/69/17/13/560691713.db2.gz AMEDMPJBXFRDCR-VULFUBBASA-N 0 0 406.913 6.033 40 30 HKEBRN CCOc1cc(/C=N/c2ccccc2C)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409208072 559019144 /nfs/dbraw/zinc/01/91/44/559019144.db2.gz AQHYUTHMKMYVRP-AFUMVMLFSA-N 0 0 424.884 6.285 40 30 HKEBRN Cc1ccc(/N=C/c2c(OCc3ccc(Cl)cc3Cl)ccc3ccccc32)cc1 ZINC000409208095 559019130 /nfs/dbraw/zinc/01/91/30/559019130.db2.gz AUNRIAHYQXSWAO-RWPZCVJISA-N 0 0 420.339 7.785 40 30 HKEBRN Cc1ccc(Cl)cc1/N=C/c1cc(Cl)ccc1OCc1ccc(Cl)cc1 ZINC000409208108 560691734 /nfs/dbraw/zinc/69/17/34/560691734.db2.gz AXTYRSMGJHBUET-BRJLIKDPSA-N 0 0 404.724 7.285 40 30 HKEBRN COc1cc(/C=N/c2cc(Cl)ccc2C)cc(I)c1OC ZINC000409208126 559018503 /nfs/dbraw/zinc/01/85/03/559018503.db2.gz BCYQIEGGIUAHRY-DJKKODMXSA-N 0 0 415.658 5.021 40 30 HKEBRN C#CCOc1c(Br)cc(Br)cc1/C=N/c1ccc(C)c(C)c1 ZINC000409208127 559018522 /nfs/dbraw/zinc/01/85/22/559018522.db2.gz BDHHBOBOGPRGEY-SRZZPIQSSA-N 0 0 421.132 5.591 40 30 HKEBRN CCOc1cc(/C=N/c2ccc(C)c(Cl)c2)cc(I)c1O ZINC000409208128 560691717 /nfs/dbraw/zinc/69/17/17/560691717.db2.gz BDPMLCVSGWYCKF-DJKKODMXSA-N 0 0 415.658 5.108 40 30 HKEBRN Cc1ccccc1/N=C/c1cc(Cl)ccc1OCc1ccc(Br)cc1 ZINC000409208134 560691719 /nfs/dbraw/zinc/69/17/19/560691719.db2.gz BFDCQUHQNFDAGT-ZMOGYAJESA-N 0 0 414.730 6.741 40 30 HKEBRN Cc1ccc(/N=C/c2cc(Cl)c(OCc3ccccc3)c(Cl)c2)cc1Cl ZINC000409208153 559018512 /nfs/dbraw/zinc/01/85/12/559018512.db2.gz BICNNBRWFDULKK-BRJLIKDPSA-N 0 0 404.724 7.285 40 30 HKEBRN Cc1ccc(COc2c(Cl)cc(/C=N/c3cc(Cl)ccc3C)cc2Cl)cc1 ZINC000409208160 559018525 /nfs/dbraw/zinc/01/85/25/559018525.db2.gz BMPBSPLBYBTOCE-RPPGKUMJSA-N 0 0 418.751 7.593 40 30 HKEBRN Cc1ccc(/N=C/c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)c(C)c1 ZINC000409208161 560691738 /nfs/dbraw/zinc/69/17/38/560691738.db2.gz BKXZMFMDNKKZRV-RPPGKUMJSA-N 0 0 402.296 7.079 40 30 HKEBRN Cc1ccc(COc2ccc(/C=N/c3cc(C)ccc3C)cc2Br)cc1 ZINC000409208166 559018513 /nfs/dbraw/zinc/01/85/13/559018513.db2.gz BNGCCNJRNXWKCK-AFUMVMLFSA-N 0 0 408.339 6.704 40 30 HKEBRN Cc1ccc(/N=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)c(C)c1 ZINC000409208174 560691729 /nfs/dbraw/zinc/69/17/29/560691729.db2.gz BPDUBGLOYBETNK-LGJNPRDNSA-N 0 0 414.383 6.773 40 30 HKEBRN COc1ccc(/N=C/c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc32)cc1 ZINC000409208198 560691724 /nfs/dbraw/zinc/69/17/24/560691724.db2.gz AFEFXVFJOBLIOS-WGOQTCKBSA-N 0 0 412.445 6.086 40 30 HKEBRN CCOc1ccc(/N=C\c2cccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c2)cc1 ZINC000409208203 560691733 /nfs/dbraw/zinc/69/17/33/560691733.db2.gz AGRNBTSFFNIGBK-YSMPRRRNSA-N 0 0 422.912 5.815 40 30 HKEBRN C=CCOc1c(I)cc(/C=N/c2ccccc2)cc1OCC ZINC000409208213 560691736 /nfs/dbraw/zinc/69/17/36/560691736.db2.gz ALWAFBOTBRSKMX-DEDYPNTBSA-N 0 0 407.251 5.005 40 30 HKEBRN CCCOc1c(Br)cc(Br)cc1/C=N/c1ccccc1C ZINC000409208227 560691709 /nfs/dbraw/zinc/69/17/09/560691709.db2.gz AYJCYFFCKZEEBH-RGVLZGJSSA-N 0 0 411.137 6.059 40 30 HKEBRN CCOc1cc(/C=N/c2cc(Cl)ccc2C)ccc1OCc1ccccc1Cl ZINC000409208231 560691714 /nfs/dbraw/zinc/69/17/14/560691714.db2.gz AZQOKLSBRXIDTG-VULFUBBASA-N 0 0 414.332 7.030 40 30 HKEBRN CCc1ccc(/N=C/c2ccc(OCC(=O)Nc3cccc(C)c3)c(OC)c2)cc1 ZINC000409208246 560691711 /nfs/dbraw/zinc/69/17/11/560691711.db2.gz BJQNBCALTUABGD-WGOQTCKBSA-N 0 0 402.494 5.334 40 30 HKEBRN C#CCOc1c(Br)cc(/C=N/c2cc(C)ccc2C)cc1Br ZINC000409208251 560691722 /nfs/dbraw/zinc/69/17/22/560691722.db2.gz BKPIURKYKMUBFV-SRZZPIQSSA-N 0 0 421.132 5.591 40 30 HKEBRN COc1ccc(/N=C/c2cc(Cl)ccc2OCC(=O)Nc2cccc(C)c2)cc1 ZINC000409208259 560691732 /nfs/dbraw/zinc/69/17/32/560691732.db2.gz BOJAGVXINNTKCD-AFUMVMLFSA-N 0 0 408.885 5.425 40 30 HKEBRN Cc1cccc(/N=C/c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc32)c1C ZINC000409208273 559018643 /nfs/dbraw/zinc/01/86/43/559018643.db2.gz BTLXVBQINHRYED-JVWAILMASA-N 0 0 410.473 6.694 40 30 HKEBRN Cc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)c(C)n1-c1ccc(C(C)C)cc1 ZINC000409208285 559018661 /nfs/dbraw/zinc/01/86/61/559018661.db2.gz BWPWWXSABHOXDJ-WRIATZMJSA-N 0 0 423.626 6.307 40 30 HKEBRN CCc1ccc(/N=C/c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)cc1 ZINC000409208294 559018645 /nfs/dbraw/zinc/01/86/45/559018645.db2.gz AJGMDNCVGIQJMY-LGJNPRDNSA-N 0 0 402.296 7.025 40 30 HKEBRN Cc1cccc(/N=C/c2cc(Br)ccc2OCc2ccc(F)cc2)c1C ZINC000409208305 559018674 /nfs/dbraw/zinc/01/86/74/559018674.db2.gz CAVQOPICGOFNMB-DHRITJCHSA-N 0 0 412.302 6.535 40 30 HKEBRN CCOc1cc(/C=N/c2ccc(CC)cc2)cc(Cl)c1OCc1ccc(C)cc1 ZINC000409208327 559018613 /nfs/dbraw/zinc/01/86/13/559018613.db2.gz AQDGWKIJNJGXQJ-JVWAILMASA-N 0 0 407.941 6.939 40 30 HKEBRN C=CCOc1c(Br)cc(Br)cc1/C=N/c1ccc(C)c(C)c1 ZINC000409208329 560691844 /nfs/dbraw/zinc/69/18/44/560691844.db2.gz AQPLMLDATIVJBG-SRZZPIQSSA-N 0 0 423.148 6.144 40 30 HKEBRN N#Cc1c2c(sc1/N=C\c1ccc(-c3ccccc3C(F)(F)F)o1)CCCC2 ZINC000409208334 560691860 /nfs/dbraw/zinc/69/18/60/560691860.db2.gz FFVGTEDBZALZPI-ZRGSRPPYSA-N 0 0 400.425 6.528 40 30 HKEBRN CCCCCN1C(=O)S/C(=C\c2ccc(OCc3ccccc3C#N)cc2)C1=O ZINC000409208339 559018619 /nfs/dbraw/zinc/01/86/19/559018619.db2.gz FGEIGIJVQDPLAK-STZFKDTASA-N 0 0 406.507 5.364 40 30 HKEBRN Cc1c(Cl)cccc1/N=C/c1c(OCc2cccc(Cl)c2)ccc2ccccc21 ZINC000409208347 559018616 /nfs/dbraw/zinc/01/86/16/559018616.db2.gz FISYGNRJHSIUAO-RWPZCVJISA-N 0 0 420.339 7.785 40 30 HKEBRN Cc1cccc(NC(=O)COc2ccc(Cl)cc2/C=N/c2cc(C)ccc2C)c1 ZINC000409208348 559018663 /nfs/dbraw/zinc/01/86/63/559018663.db2.gz AVBWUYVYDOQIDO-VULFUBBASA-N 0 0 406.913 6.033 40 30 HKEBRN O=C(COc1ccccc1/C=N/c1ccc(Oc2ccccc2)cc1)Nc1ccccc1 ZINC000409208364 559018925 /nfs/dbraw/zinc/01/89/25/559018925.db2.gz AZLLXIVAWYYLGS-TURZUDJPSA-N 0 0 422.484 6.247 40 30 HKEBRN CCc1ccc(/N=C/c2ccc(OS(=O)(=O)c3ccc(C)cc3)c(Cl)c2)cc1 ZINC000409208366 559018904 /nfs/dbraw/zinc/01/89/04/559018904.db2.gz FMPFGWODHXKBIH-BUVRLJJBSA-N 0 0 413.926 5.729 40 30 HKEBRN Cc1cccc(/N=C/c2ccc(OCc3cccc(F)c3)c(Br)c2)c1C ZINC000409208382 559019237 /nfs/dbraw/zinc/01/92/37/559019237.db2.gz BHMABYVTBGAMBX-DHRITJCHSA-N 0 0 412.302 6.535 40 30 HKEBRN CCOc1ccc(/N=C/c2cc(Cl)ccc2OCC(=O)Nc2ccccc2)cc1 ZINC000409208441 560691862 /nfs/dbraw/zinc/69/18/62/560691862.db2.gz FXLBVZSSWYDECY-MFKUBSTISA-N 0 0 408.885 5.507 40 30 HKEBRN C=CCc1cc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc(OC)c1O ZINC000409208445 560691792 /nfs/dbraw/zinc/69/17/92/560691792.db2.gz BQZJQTVHUYRPLA-UNOMPAQXSA-N 0 0 411.548 5.152 40 30 HKEBRN COc1cc(/C=N/c2ccc(C)c(C)c2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000409208454 559019218 /nfs/dbraw/zinc/01/92/18/559019218.db2.gz CDYZODGVKCTEIG-LGJNPRDNSA-N 0 0 414.332 6.948 40 30 HKEBRN COc1cc(/C=N/c2ccc(C)c(Cl)c2)ccc1OCC(=O)Nc1ccccc1 ZINC000409208465 560691850 /nfs/dbraw/zinc/69/18/50/560691850.db2.gz GCGNXYNEEVDCAI-AFUMVMLFSA-N 0 0 408.885 5.425 40 30 HKEBRN CCOc1cc(/C=N/c2cc(Cl)ccc2C)ccc1OCC(=O)Nc1ccccc1 ZINC000409208468 559019255 /nfs/dbraw/zinc/01/92/55/559019255.db2.gz GCUXBDBYTZGRLS-CVKSISIWSA-N 0 0 422.912 5.815 40 30 HKEBRN COc1cc(/C=N/c2ccc(C)cc2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1 ZINC000409208472 559019244 /nfs/dbraw/zinc/01/92/44/559019244.db2.gz BXBUFHIQKKJDPQ-VULFUBBASA-N 0 0 422.912 5.734 40 30 HKEBRN CCOc1ccc(/N=C\c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1 ZINC000409208519 560691799 /nfs/dbraw/zinc/69/17/99/560691799.db2.gz GMEFNOMFSJEYHD-QFEZKATASA-N 0 0 400.305 6.722 40 30 HKEBRN Cc1ccccc1/N=C/c1cc(Cl)c(OS(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000409208531 559019281 /nfs/dbraw/zinc/01/92/81/559019281.db2.gz GOUFRIOITWOHSJ-YDZHTSKRSA-N 0 0 420.317 5.820 40 30 HKEBRN CCOc1cc(/C=N/c2ccc(C)c(Cl)c2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409208533 559019229 /nfs/dbraw/zinc/01/92/29/559019229.db2.gz GPGDYNHWKNVZQZ-AFUMVMLFSA-N 0 0 424.884 6.285 40 30 HKEBRN COc1cc(/C=N/c2ccccc2C)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409208539 559019226 /nfs/dbraw/zinc/01/92/26/559019226.db2.gz CFMDXUXTMAIAMJ-VULFUBBASA-N 0 0 422.912 5.734 40 30 HKEBRN CCc1ccc(/N=C/c2cc(Br)ccc2OCc2ccc(C)cc2)cc1 ZINC000409208545 560691807 /nfs/dbraw/zinc/69/18/07/560691807.db2.gz GRHKHXAOGUTBSX-MFKUBSTISA-N 0 0 408.339 6.650 40 30 HKEBRN Clc1ccccc1COc1ccc(/C=N/c2ccc(Oc3ccccc3)cc2)cc1 ZINC000409208616 559019257 /nfs/dbraw/zinc/01/92/57/559019257.db2.gz CWVMGFLVULBANO-MTDXEUNCSA-N 0 0 413.904 7.462 40 30 HKEBRN CCOc1ccc(/N=C/c2ccc(OCc3cccc4ccccc43)c(OC)c2)cc1 ZINC000409208645 559019216 /nfs/dbraw/zinc/01/92/16/559019216.db2.gz DJGNVUGDQGKBRA-MTDXEUNCSA-N 0 0 411.501 6.577 40 30 HKEBRN Cc1ccc(COc2ccc(/C=C3/S/C(=N\C(C)C)N(C(C)C)C3=O)cc2)cc1 ZINC000409208673 559019268 /nfs/dbraw/zinc/01/92/68/559019268.db2.gz DQZLHXLDKYRABV-QMSJJHEMSA-N 0 0 408.567 5.663 40 30 HKEBRN COc1cc(/C=N/c2ccc(C)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1 ZINC000409208676 559019240 /nfs/dbraw/zinc/01/92/40/559019240.db2.gz DRZYMBDNHUTCTO-AFUMVMLFSA-N 0 0 408.885 5.425 40 30 HKEBRN Cc1ccc(/N=C/c2cc(Cl)ccc2OCc2ccc(Cl)cc2)cc1Cl ZINC000409208698 560691944 /nfs/dbraw/zinc/69/19/44/560691944.db2.gz CFLIHGBGOVKSQS-BRJLIKDPSA-N 0 0 404.724 7.285 40 30 HKEBRN CCOc1ccc(/N=C/c2ccc(OCC(=O)Nc3ccccc3)c(OCC)c2)cc1 ZINC000409208708 560691946 /nfs/dbraw/zinc/69/19/46/560691946.db2.gz CJQPSNKNTRFNPY-YZSQISJMSA-N 0 0 418.493 5.252 40 30 HKEBRN CCOc1cc(/C=N/c2ccccc2)cc(Br)c1OCc1ccc(C)cc1 ZINC000409208719 559019263 /nfs/dbraw/zinc/01/92/63/559019263.db2.gz CSXJHWHDEYBNHC-MFKUBSTISA-N 0 0 424.338 6.486 40 30 HKEBRN Cc1c(Cl)cccc1/N=C/c1cc(Cl)ccc1OCc1ccc(Cl)cc1 ZINC000409208740 559019242 /nfs/dbraw/zinc/01/92/42/559019242.db2.gz CYIUYHZTUQNZHL-BRJLIKDPSA-N 0 0 404.724 7.285 40 30 HKEBRN O=[N+]([O-])c1ccc(COc2c(Cl)cc(/C=N/c3ccccc3)cc2Cl)cc1 ZINC000409208744 560691953 /nfs/dbraw/zinc/69/19/53/560691953.db2.gz BWGHOOUZKXVPNA-FSJBWODESA-N 0 0 401.249 6.231 40 30 HKEBRN Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=N/c2ccccc2)cc1Cl ZINC000409208747 559019261 /nfs/dbraw/zinc/01/92/61/559019261.db2.gz BWUUYPAMVZOZPC-DHRITJCHSA-N 0 0 413.304 6.070 40 30 HKEBRN C#CCOc1c(Br)cc(Br)cc1/C=N/c1ccc(C)cc1 ZINC000409208787 560691962 /nfs/dbraw/zinc/69/19/62/560691962.db2.gz DIQVVLZXGMLHPJ-RGVLZGJSSA-N 0 0 407.105 5.283 40 30 HKEBRN Cc1cccc(NC(=O)COc2ccc3ccccc3c2/C=N/c2cc(C)ccc2C)c1 ZINC000409208800 560691957 /nfs/dbraw/zinc/69/19/57/560691957.db2.gz AFGWNSHWKODPGD-STBIYBPSSA-N 0 0 422.528 6.533 40 30 HKEBRN Cc1ccc(/N=C/c2ccccc2OCc2ccc(Cl)cc2Cl)cc1Cl ZINC000409208828 559019231 /nfs/dbraw/zinc/01/92/31/559019231.db2.gz DPHPSTRYJIKASL-BRJLIKDPSA-N 0 0 404.724 7.285 40 30 HKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(/N=C/c3ccc(Cl)c([N+](=O)[O-])c3)sc2C1 ZINC000409208831 559019278 /nfs/dbraw/zinc/01/92/78/559019278.db2.gz DPRDCGWGKHYZDQ-HJQVIKLGSA-N 0 0 401.919 6.083 40 30 HKEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(/N=C/c3ccc(Cl)c([N+](=O)[O-])c3)sc2C1 ZINC000409208834 560692025 /nfs/dbraw/zinc/69/20/25/560692025.db2.gz DPRDCGWGKHYZDQ-HKNSOBRKSA-N 0 0 401.919 6.083 40 30 HKEBRN CC(C)/N=C1\S/C(=C/c2c[nH]c3ccc(Br)cc23)C(=O)N1C(C)C ZINC000409208836 559019276 /nfs/dbraw/zinc/01/92/76/559019276.db2.gz ALIUIYRHZHJACC-DSHJWZCDSA-N 0 0 406.349 5.020 40 30 HKEBRN C#CCOc1c(Br)cc(/C=N/c2cccc(Cl)c2C)cc1OCC ZINC000409208874 559019270 /nfs/dbraw/zinc/01/92/70/559019270.db2.gz CUMUPORHTBIAEO-WSDLNYQXSA-N 0 0 406.707 5.572 40 30 HKEBRN CCOc1ccc(/N=C/c2ccccc2OCc2ccc(Br)cc2)cc1 ZINC000409208880 559019250 /nfs/dbraw/zinc/01/92/50/559019250.db2.gz CWSKHISFYDBREA-BUVRLJJBSA-N 0 0 410.311 6.177 40 30 HKEBRN CCc1ccc(/N=C/c2ccc(OCc3ccc(Br)cc3)c(OC)c2)cc1 ZINC000409208888 559019265 /nfs/dbraw/zinc/01/92/65/559019265.db2.gz ASFAUYQMRFAYPD-MFKUBSTISA-N 0 0 424.338 6.350 40 30 HKEBRN Cc1ccc(Cl)cc1/N=C/c1c(OCc2cccc(F)c2)ccc2ccccc21 ZINC000409208910 559019274 /nfs/dbraw/zinc/01/92/74/559019274.db2.gz ATZFYTQYKUBNQM-RWPZCVJISA-N 0 0 403.884 7.270 40 30 HKEBRN Cc1ccc(Cl)cc1-c1ccc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)o1 ZINC000409208913 559019266 /nfs/dbraw/zinc/01/92/66/559019266.db2.gz AUARLJMWJAOIFP-ZHUAHHRVSA-N 0 0 402.947 5.998 40 30 HKEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(/N=C/c3ccc(-c4ccc(F)cc4)o3)sc2C1 ZINC000409208945 559019324 /nfs/dbraw/zinc/01/93/24/559019324.db2.gz DLPMMCFWTBXJSN-JZNDDVEWSA-N 0 0 406.526 6.920 40 30 HKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(/N=C/c3ccc(-c4ccc(F)cc4)o3)sc2C1 ZINC000409208947 559019346 /nfs/dbraw/zinc/01/93/46/559019346.db2.gz DLPMMCFWTBXJSN-NKZWWHGNSA-N 0 0 406.526 6.920 40 30 HKEBRN Cc1ccc(/N=C/c2ccccc2OCc2ccc(Br)cc2)cc1Cl ZINC000409209008 559019328 /nfs/dbraw/zinc/01/93/28/559019328.db2.gz DXFAMRNUHOAENM-ZMOGYAJESA-N 0 0 414.730 6.741 40 30 HKEBRN Cc1cccc(NC(=O)COc2ccc(/C=N/c3cccc(C)c3C)cc2Cl)c1 ZINC000409209025 559019310 /nfs/dbraw/zinc/01/93/10/559019310.db2.gz FFAPWXFWJTVHCK-VULFUBBASA-N 0 0 406.913 6.033 40 30 HKEBRN Cc1ccc(/N=C/c2cc(Cl)ccc2OCc2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000409209032 559019353 /nfs/dbraw/zinc/01/93/53/559019353.db2.gz FAUMJINMSNQZQK-WYMPLXKRSA-N 0 0 415.276 6.540 40 30 HKEBRN Cc1ccc(NC(=O)COc2ccccc2/C=N/c2cccc(C)c2C)cc1Cl ZINC000409209040 560692038 /nfs/dbraw/zinc/69/20/38/560692038.db2.gz FDDOIWNGOSFSFE-VULFUBBASA-N 0 0 406.913 6.033 40 30 HKEBRN CCOc1ccc(/N=C/c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000409209056 559019336 /nfs/dbraw/zinc/01/93/36/559019336.db2.gz FLULWFDAQWVZKU-HYARGMPZSA-N 0 0 407.382 5.445 40 30 HKEBRN Cc1ccc(C)c(/N=C/c2ccc(OCc3ccc(F)cc3)c(Br)c2)c1 ZINC000409209061 560692019 /nfs/dbraw/zinc/69/20/19/560692019.db2.gz FGPOBPWYEXEISQ-DHRITJCHSA-N 0 0 412.302 6.535 40 30 HKEBRN CCCOc1c(Cl)cc(/C=N/c2ccc(Oc3ccccc3)cc2)cc1OCC ZINC000409209064 559019359 /nfs/dbraw/zinc/01/93/59/559019359.db2.gz FNOFKMHPBRUVGQ-YZSQISJMSA-N 0 0 409.913 7.070 40 30 HKEBRN CCOc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)cc(Cl)c1OC(C)C ZINC000409209068 560692036 /nfs/dbraw/zinc/69/20/36/560692036.db2.gz FPRWOGPPOYBTRL-UXTWZOPHSA-N 0 0 424.994 5.615 40 30 HKEBRN Cc1ccc(/N=C/c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)cc2)cc1Cl ZINC000409209072 560692013 /nfs/dbraw/zinc/69/20/13/560692013.db2.gz FIKBDONMENRBBV-YDZHTSKRSA-N 0 0 420.317 5.820 40 30 HKEBRN CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccc(N2CCCC2)cc1 ZINC000409209099 560692051 /nfs/dbraw/zinc/69/20/51/560692051.db2.gz FVWRZBDOZCMTRK-UHFFFAOYSA-N 0 0 419.565 5.687 40 30 HKEBRN Cc1cc(/C=C2\S/C(=N\C(C)C)N(C(C)C)C2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000409209116 560692189 /nfs/dbraw/zinc/69/21/89/560692189.db2.gz FXEHGOWNBNVRQD-WLGCULAMSA-N 0 0 415.990 5.837 40 30 HKEBRN COc1cc(/C=N/c2ccc(C)cc2C)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000409209128 559019358 /nfs/dbraw/zinc/01/93/58/559019358.db2.gz HHCBFUORIWOTHU-LGJNPRDNSA-N 0 0 414.332 6.948 40 30 HKEBRN Cc1ccc(C)c(/N=C\c2cccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c2)c1 ZINC000409209137 559019304 /nfs/dbraw/zinc/01/93/04/559019304.db2.gz FZZLYNCABXXOKJ-WGARJPEWSA-N 0 0 406.913 6.033 40 30 HKEBRN O=[N+]([O-])c1ccc(Oc2ccc3ccccc3c2/C=N/c2ccccc2)c([N+](=O)[O-])c1 ZINC000409209159 559019315 /nfs/dbraw/zinc/01/93/15/559019315.db2.gz GCPCZKWMVRQDAP-BUVRLJJBSA-N 0 0 413.389 6.199 40 30 HKEBRN C#CCOc1ccc2ccccc2c1/C=C1/SC(=O)N(c2cccc(Cl)c2)C1=O ZINC000409209173 559019330 /nfs/dbraw/zinc/01/93/30/559019330.db2.gz GDZQXWSSQWTGKB-KGENOOAVSA-N 0 0 419.889 5.746 40 30 HKEBRN Cc1c(Cl)cccc1/N=C/c1cc(Cl)c(OCc2ccccc2F)c(Cl)c1 ZINC000409209180 560692180 /nfs/dbraw/zinc/69/21/80/560692180.db2.gz GPYKJFSCPIOORB-KBKYJPHKSA-N 0 0 422.714 7.424 40 30 HKEBRN CCOc1cc(/C=N/c2ccccc2C)ccc1OCc1ccc(Cl)cc1Cl ZINC000409209184 560692190 /nfs/dbraw/zinc/69/21/90/560692190.db2.gz GFYOCRSSMQLBNU-VULFUBBASA-N 0 0 414.332 7.030 40 30 HKEBRN Cc1ccc(Cl)cc1/N=C/c1ccc(OCC(=O)Nc2ccccc2)c(Cl)c1 ZINC000409209196 560692184 /nfs/dbraw/zinc/69/21/84/560692184.db2.gz HQCDOVNOMCINAS-DHRITJCHSA-N 0 0 413.304 6.070 40 30 HKEBRN COc1cc(/C=N/c2cccc(Cl)c2C)cc(Cl)c1OCc1ccc(C)cc1 ZINC000409209234 560692152 /nfs/dbraw/zinc/69/21/52/560692152.db2.gz IAMVXAKTNJBVCR-LGJNPRDNSA-N 0 0 414.332 6.948 40 30 HKEBRN Cc1ccc(/N=C/c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)c(C)c1 ZINC000409209240 559019319 /nfs/dbraw/zinc/01/93/19/559019319.db2.gz IDIXNSMYKHXYOT-RPPGKUMJSA-N 0 0 418.751 7.593 40 30 HKEBRN Cc1ccc(Cl)cc1/N=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc21 ZINC000409209252 560692177 /nfs/dbraw/zinc/69/21/77/560692177.db2.gz IIRPVDODWSPWRQ-RWPZCVJISA-N 0 0 420.339 7.785 40 30 HKEBRN Cc1ccc(/N=C/c2ccc(OCc3cccc(Cl)c3)c(Br)c2)cc1 ZINC000409209282 559019335 /nfs/dbraw/zinc/01/93/35/559019335.db2.gz FCWJZOLRJDMOKP-ZMOGYAJESA-N 0 0 414.730 6.741 40 30 HKEBRN CCOc1cc(/C=N/c2ccccc2C)cc(Cl)c1OCc1ccccc1Cl ZINC000409209285 560692160 /nfs/dbraw/zinc/69/21/60/560692160.db2.gz IOUVJTDKQMXGEI-VULFUBBASA-N 0 0 414.332 7.030 40 30 HKEBRN CCOc1cc(/C=N/c2cccc(C)c2C)ccc1OS(=O)(=O)c1ccccc1 ZINC000409209292 560692181 /nfs/dbraw/zinc/69/21/81/560692181.db2.gz IPFIDRQWDALTOP-LFVJCYFKSA-N 0 0 409.507 5.220 40 30 HKEBRN Cc1ccc(COc2ccc(Br)cc2/C=N/c2ccc(C)cc2C)cc1 ZINC000409209305 559019123 /nfs/dbraw/zinc/01/91/23/559019123.db2.gz IURPWZDLNLGBIC-AFUMVMLFSA-N 0 0 408.339 6.704 40 30 HKEBRN C=CCOc1c(Br)cc(/C=N/c2cccc(C)c2C)cc1Br ZINC000409209316 560692163 /nfs/dbraw/zinc/69/21/63/560692163.db2.gz FPNCKJRJORGNKT-SRZZPIQSSA-N 0 0 423.148 6.144 40 30 HKEBRN Clc1ccc(COc2ccc(Br)cc2/C=N/c2ccccc2)cc1 ZINC000409209319 560692155 /nfs/dbraw/zinc/69/21/55/560692155.db2.gz FQNIRHGQBKWPHG-YDZHTSKRSA-N 0 0 400.703 6.432 40 30 HKEBRN Cc1ccc(C)c(/N=C/c2c(OCc3cccc4ccccc43)ccc3ccccc32)c1 ZINC000409209332 559019150 /nfs/dbraw/zinc/01/91/50/559019150.db2.gz FVXWMYCHBQHKKR-ZCTHSVRISA-N 0 0 415.536 7.939 40 30 HKEBRN Cc1ccc(/N=C/c2c(OCc3cccc(F)c3)ccc3ccccc32)cc1Cl ZINC000409209339 559019221 /nfs/dbraw/zinc/01/92/21/559019221.db2.gz GCYOLQYBOIDHFP-RWPZCVJISA-N 0 0 403.884 7.270 40 30 HKEBRN C=CCOc1c(Br)cc(Br)cc1/C=N/c1ccc(CC)cc1 ZINC000409209341 560692192 /nfs/dbraw/zinc/69/21/92/560692192.db2.gz GDCCQBLDOVXSER-CIAFOILYSA-N 0 0 423.148 6.089 40 30 HKEBRN COc1ccc(/N=C/c2cc(Br)ccc2OCc2cccc(F)c2)cc1 ZINC000409209365 559019272 /nfs/dbraw/zinc/01/92/72/559019272.db2.gz GISMAGZGRUEDQT-ZMOGYAJESA-N 0 0 414.274 5.926 40 30 HKEBRN CCOc1cc(/C=N/c2ccc(C)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1 ZINC000409209420 560693918 /nfs/dbraw/zinc/69/39/18/560693918.db2.gz FKMPXCBLUUXPEQ-CVKSISIWSA-N 0 0 422.912 5.815 40 30 HKEBRN Cc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2/C=N/c2ccc(C)c(C)c2)cc1 ZINC000409209426 560693991 /nfs/dbraw/zinc/69/39/91/560693991.db2.gz BMBXQEPVUZTWIC-ZVHZXABRSA-N 0 0 413.926 5.784 40 30 HKEBRN CCOc1cc(/C=N/c2ccccc2C)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409209464 560691121 /nfs/dbraw/zinc/69/11/21/560691121.db2.gz BTNPVWZHDZBDCK-OEAKJJBVSA-N 0 0 421.409 5.753 40 30 HKEBRN Cc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)c(C)n1-c1ccc(N(C)C)cc1 ZINC000409209471 559019347 /nfs/dbraw/zinc/01/93/47/559019347.db2.gz BUZJHERQVPBMEN-QMSJJHEMSA-N 0 0 424.614 5.249 40 30 HKEBRN Cc1ccc(/N=C/c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)cc2)cc1C ZINC000409209502 559019340 /nfs/dbraw/zinc/01/93/40/559019340.db2.gz FYWBOULAEGSAEW-VULFUBBASA-N 0 0 406.913 6.033 40 30 HKEBRN Cc1cccc(NC(=O)COc2ccc(Cl)cc2/C=N/c2cccc(C)c2C)c1 ZINC000409209544 559019326 /nfs/dbraw/zinc/01/93/26/559019326.db2.gz GIPSWBRKDHPWIP-VULFUBBASA-N 0 0 406.913 6.033 40 30 HKEBRN CCOc1ccc(/N=C/c2cc(Cl)c(OCc3ccc(C)cc3)c(OCC)c2)cc1 ZINC000409209557 559019300 /nfs/dbraw/zinc/01/93/00/559019300.db2.gz CKWMWTJJWBLMBS-JVWAILMASA-N 0 0 423.940 6.775 40 30 HKEBRN COc1c(Br)cc(Br)cc1/C=N/c1cccc(Cl)c1C ZINC000409209564 560694221 /nfs/dbraw/zinc/69/42/21/560694221.db2.gz CMZPQSGHACCFLR-UFWORHAWSA-N 0 0 417.528 5.933 40 30 HKEBRN Cc1ccc(Cl)cc1/N=C/c1cc(Br)ccc1OCc1ccccc1 ZINC000409209613 560694493 /nfs/dbraw/zinc/69/44/93/560694493.db2.gz GUECDSQIQBYURR-ZMOGYAJESA-N 0 0 414.730 6.741 40 30 HKEBRN Cc1c(Cl)cccc1/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000409209633 559019356 /nfs/dbraw/zinc/01/93/56/559019356.db2.gz HIYYAVYDOKNGSG-BRJLIKDPSA-N 0 0 404.724 7.285 40 30 HKEBRN CCOc1cc(/C=N/c2cccc(Cl)c2C)ccc1OCc1cccc(Cl)c1 ZINC000409209677 559019317 /nfs/dbraw/zinc/01/93/17/559019317.db2.gz HROCFXHWQJUXFZ-VULFUBBASA-N 0 0 414.332 7.030 40 30 HKEBRN Cc1cccc(/N=C/c2cc(Br)ccc2OCc2ccccc2F)c1C ZINC000409209715 560694500 /nfs/dbraw/zinc/69/45/00/560694500.db2.gz HZHDIMJCAQJZDB-DHRITJCHSA-N 0 0 412.302 6.535 40 30 HKEBRN Cc1ccc(COc2ccc(Br)cc2/C=N/c2cc(C)ccc2C)cc1 ZINC000409209740 559019472 /nfs/dbraw/zinc/01/94/72/559019472.db2.gz IFEADTSSUGBJPZ-AFUMVMLFSA-N 0 0 408.339 6.704 40 30 HKEBRN Cc1ccc(/N=C/c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)cc1Cl ZINC000409209747 560694490 /nfs/dbraw/zinc/69/44/90/560694490.db2.gz IGNIBXTYBAWLBN-KBKYJPHKSA-N 0 0 422.714 7.424 40 30 HKEBRN CCOc1cc(/C=N/c2ccccc2C)ccc1OCc1ccc(Br)cc1 ZINC000409209762 560694497 /nfs/dbraw/zinc/69/44/97/560694497.db2.gz IKYAUSTZJBZFAL-MFKUBSTISA-N 0 0 424.338 6.486 40 30 HKEBRN Cc1ccc(/N=C/c2c(OCc3cccc4ccccc43)ccc3ccccc32)cc1 ZINC000409209769 559019463 /nfs/dbraw/zinc/01/94/63/559019463.db2.gz HXRMVMDCXSVQHU-NDZAJKAJSA-N 0 0 401.509 7.631 40 30 HKEBRN O=[N+]([O-])c1ccc(COc2ccccc2/C=N/c2ccc(Oc3ccccc3)cc2)cc1 ZINC000409209802 559019444 /nfs/dbraw/zinc/01/94/44/559019444.db2.gz JCQFMAFLLZGTHS-OVVQPSECSA-N 0 0 424.456 6.717 40 30 HKEBRN CCOc1cc(/C=N/c2ccc(C)cc2C)cc(Cl)c1OCc1ccc(F)cc1 ZINC000409209819 559019437 /nfs/dbraw/zinc/01/94/37/559019437.db2.gz HKZXNVAMDCJZOW-MZJWZYIUSA-N 0 0 411.904 6.824 40 30 HKEBRN COc1ccc(/N=C/c2ccc(OCc3ccc(F)cc3)c(Br)c2)cc1 ZINC000409209825 560694246 /nfs/dbraw/zinc/69/42/46/560694246.db2.gz JEYISWYYJAOPSP-ZMOGYAJESA-N 0 0 414.274 5.926 40 30 HKEBRN C=CCc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc(OCC)c1O ZINC000409209831 559019474 /nfs/dbraw/zinc/01/94/74/559019474.db2.gz HSWIEXQJEBRGES-WOJGMQOQSA-N 0 0 415.898 5.414 40 30 HKEBRN Cc1ccc(/N=C/c2ccc(OCc3cccc(Cl)c3)c(Cl)c2)cc1Cl ZINC000409209834 560694542 /nfs/dbraw/zinc/69/45/42/560694542.db2.gz JIMOHBYMQDDJQF-BRJLIKDPSA-N 0 0 404.724 7.285 40 30 HKEBRN CCOc1cc(/C=N/c2cccc(C)c2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409209856 560694563 /nfs/dbraw/zinc/69/45/63/560694563.db2.gz HXHFPSDBBDLINB-MFKUBSTISA-N 0 0 404.466 5.940 40 30 HKEBRN Cc1ccc(/N=C/c2ccccc2OCC(=O)Nc2ccc(C)c(Cl)c2)cc1C ZINC000409209862 560694540 /nfs/dbraw/zinc/69/45/40/560694540.db2.gz GKRYGGRKQUWSHU-VULFUBBASA-N 0 0 406.913 6.033 40 30 HKEBRN CC(C)/N=C1\S/C(=C/c2ccc(OCc3ccccc3C#N)cc2)C(=O)N1C(C)C ZINC000409209869 560694535 /nfs/dbraw/zinc/69/45/35/560694535.db2.gz JOBAXTOOPZNJES-MYVOUCEISA-N 0 0 419.550 5.226 40 30 HKEBRN Cc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)c(C)n1-c1ccc(C#N)cc1 ZINC000409209880 559019470 /nfs/dbraw/zinc/01/94/70/559019470.db2.gz HZAQDZJLKIOSDS-CNAFYAFZSA-N 0 0 406.555 5.055 40 30 HKEBRN Cc1c(Cl)cccc1/N=C/c1ccc(OS(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000409209895 559019490 /nfs/dbraw/zinc/01/94/90/559019490.db2.gz IACQVIHFVXQUEZ-YDZHTSKRSA-N 0 0 420.317 5.820 40 30 HKEBRN Cc1cccc(NC(=O)COc2ccc(/C=N/c3ccc(C)c(C)c3)cc2Cl)c1 ZINC000409209902 559019468 /nfs/dbraw/zinc/01/94/68/559019468.db2.gz GUSCDTATDHHWCS-VULFUBBASA-N 0 0 406.913 6.033 40 30 HKEBRN Cc1ccc(/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)cc1C ZINC000409209909 559019487 /nfs/dbraw/zinc/01/94/87/559019487.db2.gz GWBIAZGIARACQD-RPPGKUMJSA-N 0 0 418.751 7.593 40 30 HKEBRN O=C(COc1ccc(/C=N/c2ccccc2)cc1Br)Nc1ccccc1 ZINC000409209917 559019497 /nfs/dbraw/zinc/01/94/97/559019497.db2.gz IEWOUGFJPQCAIY-OEAKJJBVSA-N 0 0 409.283 5.217 40 30 HKEBRN Cc1c(Cl)cccc1/N=C/c1ccc(OCc2ccccc2)c(Br)c1 ZINC000409209920 560694546 /nfs/dbraw/zinc/69/45/46/560694546.db2.gz JTGSTPXRGVMNKK-ZMOGYAJESA-N 0 0 414.730 6.741 40 30 HKEBRN C#CCOc1c(Br)cc(Br)cc1/C=N/c1ccccc1C ZINC000409209921 560694568 /nfs/dbraw/zinc/69/45/68/560694568.db2.gz IHKBUPSOVXZNFZ-RGVLZGJSSA-N 0 0 407.105 5.283 40 30 HKEBRN CCc1ccc(/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)cc1 ZINC000409209925 560694543 /nfs/dbraw/zinc/69/45/43/560694543.db2.gz JUAQXWYOBOEQTN-LGJNPRDNSA-N 0 0 418.751 7.539 40 30 HKEBRN Cc1ccc(COc2ccccc2/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)cc1 ZINC000409209930 559019479 /nfs/dbraw/zinc/01/94/79/559019479.db2.gz JURRDZUWVPYQJZ-QMSJJHEMSA-N 0 0 408.567 5.663 40 30 HKEBRN CC[C@@H](C)Oc1ccc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1OC ZINC000409209939 559019499 /nfs/dbraw/zinc/01/94/99/559019499.db2.gz JVJRICWBIWTRMQ-HLAKCNICSA-N 0 0 424.610 6.707 40 30 HKEBRN CC[C@H](C)Oc1ccc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1OC ZINC000409209942 559019426 /nfs/dbraw/zinc/01/94/26/559019426.db2.gz JVJRICWBIWTRMQ-MHFSVLKQSA-N 0 0 424.610 6.707 40 30 HKEBRN CC[C@H](C)Oc1ccc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1OC ZINC000409209945 559019481 /nfs/dbraw/zinc/01/94/81/559019481.db2.gz JVJRICWBIWTRMQ-UTXPEACSSA-N 0 0 424.610 6.707 40 30 HKEBRN CCc1ccc(/N=C/c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)cc2)cc1 ZINC000409209947 560694556 /nfs/dbraw/zinc/69/45/56/560694556.db2.gz IQXICCWNMSEQMB-CVKSISIWSA-N 0 0 406.913 5.979 40 30 HKEBRN CC[C@@H](C)Oc1ccc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1OC ZINC000409209948 559019441 /nfs/dbraw/zinc/01/94/41/559019441.db2.gz JVJRICWBIWTRMQ-VAEOAHNZSA-N 0 0 424.610 6.707 40 30 HKEBRN CCCCOc1ccc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1OC ZINC000409209957 559019450 /nfs/dbraw/zinc/01/94/50/559019450.db2.gz HGKXWVBDTNPFSY-AXNZHVIBSA-N 0 0 424.610 6.709 40 30 HKEBRN CCCCOc1ccc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1OC ZINC000409209960 559019458 /nfs/dbraw/zinc/01/94/58/559019458.db2.gz HGKXWVBDTNPFSY-NLTKLDOMSA-N 0 0 424.610 6.709 40 30 HKEBRN COc1cc(/C=N/c2cc(C)ccc2C)cc(Cl)c1OCc1ccccc1Cl ZINC000409209971 559019447 /nfs/dbraw/zinc/01/94/47/559019447.db2.gz IVSCVAVZVMLTMA-LGJNPRDNSA-N 0 0 414.332 6.948 40 30 HKEBRN COc1cc(/C=N/c2ccc(C)c(Cl)c2)ccc1OS(=O)(=O)c1ccccc1 ZINC000409209984 559019432 /nfs/dbraw/zinc/01/94/32/559019432.db2.gz KEBRGIGJZCMOGY-OEAKJJBVSA-N 0 0 415.898 5.175 40 30 HKEBRN CCOc1cc(/C=N/c2ccc(C)cc2)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409209988 559019461 /nfs/dbraw/zinc/01/94/61/559019461.db2.gz HNYZAQBTYPATJC-WGOQTCKBSA-N 0 0 402.494 5.470 40 30 HKEBRN COc1ccc(/N=C/c2cc(Br)ccc2OCc2ccccc2F)cc1 ZINC000409209997 560694528 /nfs/dbraw/zinc/69/45/28/560694528.db2.gz IWFVTNIFVNJRIB-ZMOGYAJESA-N 0 0 414.274 5.926 40 30 HKEBRN CC(C)/N=C1\S/C(=C/c2ccccc2OCc2ccccc2F)C(=O)N1C(C)C ZINC000409210001 560694551 /nfs/dbraw/zinc/69/45/51/560694551.db2.gz KJNIXAAMPWXYRQ-RRJMXWIWSA-N 0 0 412.530 5.494 40 30 HKEBRN Cc1ccc(COc2c(Cl)cc(/C=N/c3ccc(C)c(Cl)c3)cc2Cl)cc1 ZINC000409210007 560694564 /nfs/dbraw/zinc/69/45/64/560694564.db2.gz IYJVEHSBWWXTDM-RPPGKUMJSA-N 0 0 418.751 7.593 40 30 HKEBRN CCOc1ccc(/N=C/c2cc(Cl)c(OCc3cccc(F)c3)c(OC)c2)cc1 ZINC000409210034 560694520 /nfs/dbraw/zinc/69/45/20/560694520.db2.gz DEFDYJQTZFPUGZ-VULFUBBASA-N 0 0 413.876 6.216 40 30 HKEBRN N#Cc1c(/N=C/c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)sc2c1CCCC2 ZINC000409210038 560694510 /nfs/dbraw/zinc/69/45/10/560694510.db2.gz HSHUQNAXYFGRGA-WYMPLXKRSA-N 0 0 404.451 5.345 40 30 HKEBRN CCOc1cc(/C=N/c2ccc(C)cc2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409210039 559019342 /nfs/dbraw/zinc/01/93/42/559019342.db2.gz KNGHSYDLEOVVCW-MFKUBSTISA-N 0 0 404.466 5.940 40 30 HKEBRN CC(C)/N=C1\S/C(=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)C(=O)N1C(C)C ZINC000409210045 559019302 /nfs/dbraw/zinc/01/93/02/559019302.db2.gz KOTPVBAEXAKKJB-DEUMPFNYSA-N 0 0 422.472 6.055 40 30 HKEBRN COc1ccc(C2C3=C(CC(C)(C)CC3=O)N(C)C3=C2C(=O)CC(C)(C)C3)c(OC)c1 ZINC000409210053 559019338 /nfs/dbraw/zinc/01/93/38/559019338.db2.gz KPILXXCDRBPARL-UHFFFAOYSA-N 0 0 423.553 5.019 40 30 HKEBRN CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccc(Br)o1 ZINC000409210077 560694673 /nfs/dbraw/zinc/69/46/73/560694673.db2.gz DKHSRCSFJLCTJW-UHFFFAOYSA-N 0 0 419.315 5.442 40 30 HKEBRN CCOc1ccc(/N=C\c2cccc(OCc3ccc(Br)cc3)c2)cc1 ZINC000409210083 560694730 /nfs/dbraw/zinc/69/47/30/560694730.db2.gz IAONZMGDCDNYBJ-IWIPYMOSSA-N 0 0 410.311 6.177 40 30 HKEBRN Cc1ccc(/N=C/c2cc(Cl)ccc2OCc2ccc(Br)cc2)cc1 ZINC000409210085 559019307 /nfs/dbraw/zinc/01/93/07/559019307.db2.gz IBSMMATUMLUFIA-ZMOGYAJESA-N 0 0 414.730 6.741 40 30 HKEBRN Cc1c(Cl)cccc1/N=C\c1cccc(OCc2ccc(Cl)cc2Cl)c1 ZINC000409210110 559019704 /nfs/dbraw/zinc/01/97/04/559019704.db2.gz DRUYXSDCGZXDSH-ROTLSHHCSA-N 0 0 404.724 7.285 40 30 HKEBRN Cc1ccc(Cl)cc1/N=C/c1cc(Cl)ccc1OCc1cccc2ccccc21 ZINC000409210120 559019644 /nfs/dbraw/zinc/01/96/44/559019644.db2.gz DUNXCQGUNKQLIK-RWPZCVJISA-N 0 0 420.339 7.785 40 30 HKEBRN Cc1ccccc1/N=C/c1ccc(OCc2cccc(Cl)c2)c(Br)c1 ZINC000409210132 560694741 /nfs/dbraw/zinc/69/47/41/560694741.db2.gz IMEFRWASVQJJKP-ZMOGYAJESA-N 0 0 414.730 6.741 40 30 HKEBRN Cc1ccc(/N=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)cc1C ZINC000409210167 560694678 /nfs/dbraw/zinc/69/46/78/560694678.db2.gz ILZCNTZFQDYSGN-LGJNPRDNSA-N 0 0 414.383 6.773 40 30 HKEBRN C=CCOc1c(Br)cc(/C=N/c2ccc(C)c(C)c2)cc1Br ZINC000409210169 559019692 /nfs/dbraw/zinc/01/96/92/559019692.db2.gz IRTCYGMKPUALQP-SRZZPIQSSA-N 0 0 423.148 6.144 40 30 HKEBRN Cc1ccc(/N=C/c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)c(C)c1 ZINC000409210190 559019629 /nfs/dbraw/zinc/01/96/29/559019629.db2.gz FKEMFVRKIYLJRB-RPPGKUMJSA-N 0 0 402.296 7.079 40 30 HKEBRN Cc1c(Cl)cccc1/N=C/c1ccccc1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409210193 559019685 /nfs/dbraw/zinc/01/96/85/559019685.db2.gz FKSXTGTWFWVBIJ-YDZHTSKRSA-N 0 0 420.317 5.820 40 30 HKEBRN COc1cc(/C=N/c2cc(Cl)ccc2C)ccc1OS(=O)(=O)c1ccccc1 ZINC000409210197 560694758 /nfs/dbraw/zinc/69/47/58/560694758.db2.gz IXSRILADIIJRRD-OEAKJJBVSA-N 0 0 415.898 5.175 40 30 HKEBRN Cc1ccc(-c2ccc(/C=C3/S/C(=N\C(C)C)N(C(C)C)C3=O)o2)cc1[N+](=O)[O-] ZINC000409210203 559019701 /nfs/dbraw/zinc/01/97/01/559019701.db2.gz IZBCBHQMCODERE-OESWBVNESA-N 0 0 413.499 5.252 40 30 HKEBRN CCOc1ccc(/N=C/c2ccc(OCc3ccc(Cl)cc3)c(OCC)c2)cc1 ZINC000409210204 559019636 /nfs/dbraw/zinc/01/96/36/559019636.db2.gz IRCPUDYVXFJFJY-WGOQTCKBSA-N 0 0 409.913 6.467 40 30 HKEBRN COc1cc(/C=N/c2cccc(Cl)c2C)cc(Cl)c1OCc1ccccc1F ZINC000409210206 560694670 /nfs/dbraw/zinc/69/46/70/560694670.db2.gz JALRSLCFYPFEHH-RPPGKUMJSA-N 0 0 418.295 6.779 40 30 HKEBRN Cc1c(Cl)cccc1/N=C/c1ccc(OCC(=O)Nc2ccccc2)c(Cl)c1 ZINC000409210243 559019702 /nfs/dbraw/zinc/01/97/02/559019702.db2.gz IUTNSGGQQCNEPT-DHRITJCHSA-N 0 0 413.304 6.070 40 30 HKEBRN Cc1ccc(/N=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)cc1 ZINC000409210245 560694719 /nfs/dbraw/zinc/69/47/19/560694719.db2.gz JIYLCNNNVKWMOV-BRJLIKDPSA-N 0 0 404.724 7.285 40 30 HKEBRN CC(C)/N=C1\S/C(=C\c2ccc(-c3cccc(Cl)c3Cl)o2)C(=O)N1C(C)C ZINC000409210251 559019667 /nfs/dbraw/zinc/01/96/67/559019667.db2.gz JKDQTZYYIFSWSC-PLISCHTNSA-N 0 0 423.365 6.343 40 30 HKEBRN CCCOc1ccc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1OCC ZINC000409210255 559019677 /nfs/dbraw/zinc/01/96/77/559019677.db2.gz IWZRSUFQUHFRLI-AXNZHVIBSA-N 0 0 424.610 6.709 40 30 HKEBRN CCCOc1ccc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1OCC ZINC000409210258 559019690 /nfs/dbraw/zinc/01/96/90/559019690.db2.gz IWZRSUFQUHFRLI-NLTKLDOMSA-N 0 0 424.610 6.709 40 30 HKEBRN COc1cc(/C=N/c2ccc(C)c(C)c2)ccc1OCc1ccc(Br)cc1 ZINC000409210270 559019633 /nfs/dbraw/zinc/01/96/33/559019633.db2.gz IZZQRMGUGGPNIW-AFUMVMLFSA-N 0 0 424.338 6.404 40 30 HKEBRN CCOc1cc(/C=N\c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)ccc1OC(C)=O ZINC000409210281 560694714 /nfs/dbraw/zinc/69/47/14/560694714.db2.gz JCAQSNAUZNKNSY-IOFNULOHSA-N 0 0 424.566 5.845 40 30 HKEBRN CCOc1cc(/C=N\c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)ccc1OC(C)=O ZINC000409210283 559019694 /nfs/dbraw/zinc/01/96/94/559019694.db2.gz JCAQSNAUZNKNSY-VHQYDUIRSA-N 0 0 424.566 5.845 40 30 HKEBRN CC(C)/N=C1\S/C(=C/c2ccccc2OCc2cccc(F)c2)C(=O)N1C(C)C ZINC000409210284 560694736 /nfs/dbraw/zinc/69/47/36/560694736.db2.gz JROWJDOAWOPLMP-RRJMXWIWSA-N 0 0 412.530 5.494 40 30 HKEBRN CCCOc1c(Br)cc(/C=N/c2ccccc2C)cc1Br ZINC000409210307 560694689 /nfs/dbraw/zinc/69/46/89/560694689.db2.gz JHJDCCXYEGXJHD-RGVLZGJSSA-N 0 0 411.137 6.059 40 30 HKEBRN C=CCOc1c(Br)cc(Br)cc1/C=N/c1cc(C)ccc1C ZINC000409210312 560694728 /nfs/dbraw/zinc/69/47/28/560694728.db2.gz JIIIQJRKGDFBOK-SRZZPIQSSA-N 0 0 423.148 6.144 40 30 HKEBRN CCOc1cc(/C=N/c2ccc(CC)cc2)cc(I)c1OC ZINC000409210319 559019748 /nfs/dbraw/zinc/01/97/48/559019748.db2.gz JZTDGCXCRUOEQB-UDWIEESQSA-N 0 0 409.267 5.012 40 30 HKEBRN Cc1ccc(/N=C/c2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)cc1 ZINC000409210320 559019790 /nfs/dbraw/zinc/01/97/90/559019790.db2.gz KAGIEAIDVOXKLY-BRJLIKDPSA-N 0 0 404.724 7.285 40 30 HKEBRN Cc1ccc(/N=C/c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)cc1C ZINC000409210341 559019927 /nfs/dbraw/zinc/01/99/27/559019927.db2.gz KHOSRDQAONIFLT-RPPGKUMJSA-N 0 0 402.296 7.079 40 30 HKEBRN CCOc1cc(/C=N/c2ccccc2C)ccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000409210349 560694692 /nfs/dbraw/zinc/69/46/92/560694692.db2.gz JSWFXBOQPRRGJP-LFVJCYFKSA-N 0 0 409.507 5.220 40 30 HKEBRN COc1ccc(/N=C/c2c(OS(=O)(=O)c3ccccc3)ccc3ccccc32)cc1 ZINC000409210383 560694815 /nfs/dbraw/zinc/69/48/15/560694815.db2.gz KSRAOAJYZOZQBH-KOEQRZSOSA-N 0 0 417.486 5.367 40 30 HKEBRN COc1cc(/C=N/c2ccccc2C)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409210385 559019893 /nfs/dbraw/zinc/01/98/93/559019893.db2.gz KTQSHOCWBZKYHH-ZMOGYAJESA-N 0 0 410.857 5.895 40 30 HKEBRN C=CCOc1c(I)cc(/C=N/c2ccc(C)c(C)c2)cc1OC ZINC000409210398 560694839 /nfs/dbraw/zinc/69/48/39/560694839.db2.gz JKUBUVFPDKESEL-CIAFOILYSA-N 0 0 421.278 5.232 40 30 HKEBRN O=[N+]([O-])c1ccc(COc2ccc(Br)cc2/C=N/c2ccccc2)cc1 ZINC000409210405 560694818 /nfs/dbraw/zinc/69/48/18/560694818.db2.gz JNGIMQOTIGHHJO-LPYMAVHISA-N 0 0 411.255 5.687 40 30 HKEBRN Cc1ccc(C)c(/N=C/c2cc(Br)ccc2OCc2cccc(F)c2)c1 ZINC000409210417 559019932 /nfs/dbraw/zinc/01/99/32/559019932.db2.gz JSTCCQPQIDBTSL-DHRITJCHSA-N 0 0 412.302 6.535 40 30 HKEBRN Cc1ccc(/N=C/c2c(OCc3ccc(F)cc3)ccc3ccccc32)cc1Cl ZINC000409210445 559019974 /nfs/dbraw/zinc/01/99/74/559019974.db2.gz IRGQASPPTPODLM-RWPZCVJISA-N 0 0 403.884 7.270 40 30 HKEBRN CCOc1ccc(/N=C/c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)cc2)cc1 ZINC000409210461 559019979 /nfs/dbraw/zinc/01/99/79/559019979.db2.gz IUSRAYJYPGGSHN-CVKSISIWSA-N 0 0 422.912 5.815 40 30 HKEBRN COCc1cc(C)nc(N=NCc2ccc(-c3ccccc3C(F)(F)F)o2)c1C#N ZINC000409210475 560694810 /nfs/dbraw/zinc/69/48/10/560694810.db2.gz KKBMCOIJUDARSK-KBKYJPHKSA-N 0 0 414.387 5.133 40 30 HKEBRN CCOc1cc(/C=N/c2ccc(OC)cc2)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409210506 559019538 /nfs/dbraw/zinc/01/95/38/559019538.db2.gz KYLZAJKUUUTNAV-WGOQTCKBSA-N 0 0 418.493 5.170 40 30 HKEBRN CCOc1c(Br)cc(Br)cc1/C=N/c1cccc(C)c1C ZINC000409210519 560694808 /nfs/dbraw/zinc/69/48/08/560694808.db2.gz JHMMDNYKIARWGU-KEBDBYFISA-N 0 0 411.137 5.978 40 30 HKEBRN Cc1ccc(/N=C/c2c(OCC(=O)Nc3ccccc3)ccc3ccccc32)cc1C ZINC000409210542 559019559 /nfs/dbraw/zinc/01/95/59/559019559.db2.gz KUJMDHDODPEPEC-OGLMXYFKSA-N 0 0 408.501 6.225 40 30 HKEBRN Cc1c(Cl)cccc1/N=C/c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1 ZINC000409210545 559019557 /nfs/dbraw/zinc/01/95/57/559019557.db2.gz KVISVACJQSHVSR-BRJLIKDPSA-N 0 0 404.724 7.285 40 30 HKEBRN CCOc1cc(/C=N/c2ccccc2)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409210567 559019519 /nfs/dbraw/zinc/01/95/19/559019519.db2.gz JOBOGFXKKOLCEM-CVKSISIWSA-N 0 0 422.912 5.815 40 30 HKEBRN CC(C)/N=C1\S/C(=C/c2ccccc2OCc2ccc(F)cc2)C(=O)N1C(C)C ZINC000409210574 559019523 /nfs/dbraw/zinc/01/95/23/559019523.db2.gz LBYODRRDOYLONZ-RRJMXWIWSA-N 0 0 412.530 5.494 40 30 HKEBRN CCOc1cc(/C=N/c2ccc(C)c(C)c2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409210585 559019506 /nfs/dbraw/zinc/01/95/06/559019506.db2.gz LOHZOYOJYLTQPA-MFKUBSTISA-N 0 0 404.466 5.940 40 30 HKEBRN Cc1ccc(/N=C/c2c(OS(=O)(=O)c3ccccc3)ccc3ccccc32)cc1C ZINC000409210603 559019545 /nfs/dbraw/zinc/01/95/45/559019545.db2.gz FWCMUGXMNJLEGP-YZSQISJMSA-N 0 0 415.514 5.975 40 30 HKEBRN CCc1ccc(/N=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1 ZINC000409210604 559019553 /nfs/dbraw/zinc/01/95/53/559019553.db2.gz LSCDEBRWPPRYRH-AFUMVMLFSA-N 0 0 424.884 6.149 40 30 HKEBRN CCOc1cc(/C=N/c2ccccc2C)cc(Cl)c1OCc1cccc(Cl)c1 ZINC000409210608 559019547 /nfs/dbraw/zinc/01/95/47/559019547.db2.gz KFVSRAQCKOMGOO-VULFUBBASA-N 0 0 414.332 7.030 40 30 HKEBRN Cc1cccc(/N=C/c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)c1C ZINC000409210617 559019551 /nfs/dbraw/zinc/01/95/51/559019551.db2.gz KHYLOOOEIRWEDU-RPPGKUMJSA-N 0 0 418.751 7.593 40 30 HKEBRN Cc1cccc(/N=C/c2ccc(OCc3ccccc3F)c(Br)c2)c1C ZINC000409210631 559019555 /nfs/dbraw/zinc/01/95/55/559019555.db2.gz LTIHDQLAUIJBJC-DHRITJCHSA-N 0 0 412.302 6.535 40 30 HKEBRN C=CCc1cc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc(OC)c1OC ZINC000409210643 559019561 /nfs/dbraw/zinc/01/95/61/559019561.db2.gz KMGGQLNEIQDSOF-FLOSOGMCSA-N 0 0 422.594 6.267 40 30 HKEBRN C=CCc1cc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc(OC)c1OC ZINC000409210647 559019512 /nfs/dbraw/zinc/01/95/12/559019512.db2.gz KMGGQLNEIQDSOF-UBXTYJAUSA-N 0 0 422.594 6.267 40 30 HKEBRN CCN1C2=C(C(=O)CC(C)(C)C2)C(c2ccc(N(C)C)cc2)C2=C1CC(C)(C)CC2=O ZINC000409210666 559019524 /nfs/dbraw/zinc/01/95/24/559019524.db2.gz KOLLKVNSHYMIAG-UHFFFAOYSA-N 0 0 420.597 5.458 40 30 HKEBRN COc1cc(/C=N/c2cc(Cl)ccc2C)ccc1OCC(=O)Nc1ccccc1 ZINC000409210687 560694895 /nfs/dbraw/zinc/69/48/95/560694895.db2.gz KACBTJAIDNKOGS-AFUMVMLFSA-N 0 0 408.885 5.425 40 30 HKEBRN CCc1ccc(/N=C\c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)cc1 ZINC000409210700 559019510 /nfs/dbraw/zinc/01/95/10/559019510.db2.gz GGNALDLUUJFZPF-WGARJPEWSA-N 0 0 414.383 6.719 40 30 HKEBRN CCc1ccc(/N=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)cc1 ZINC000409210706 559019626 /nfs/dbraw/zinc/01/96/26/559019626.db2.gz KBIWYIPOYDGTPP-LGJNPRDNSA-N 0 0 418.751 7.539 40 30 HKEBRN Cc1ccc(C)c(/N=C/c2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)c1 ZINC000409210733 559019536 /nfs/dbraw/zinc/01/95/36/559019536.db2.gz GOTFJZHZPFDPDZ-RPPGKUMJSA-N 0 0 418.751 7.593 40 30 HKEBRN Clc1cc(/C=N/c2ccccc2)cc(Cl)c1OCc1cccc2ccccc21 ZINC000409210737 559019513 /nfs/dbraw/zinc/01/95/13/559019513.db2.gz KVRHNHHBFSNRCT-JFLMPSFJSA-N 0 0 406.312 7.476 40 30 HKEBRN CCOc1cc(/C=N/c2cc(Cl)ccc2C)cc(I)c1O ZINC000409210742 559019540 /nfs/dbraw/zinc/01/95/40/559019540.db2.gz KWOKRZYVWOFRCL-DJKKODMXSA-N 0 0 415.658 5.108 40 30 HKEBRN CCOc1cc(/C=N/c2cccc(C)c2C)ccc1OCc1cccc2ccccc21 ZINC000409210756 559020144 /nfs/dbraw/zinc/02/01/44/559020144.db2.gz MIOSBYLHYITBMW-RDRPBHBLSA-N 0 0 409.529 7.185 40 30 HKEBRN COc1ccc(/N=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(OC)c2)cc1 ZINC000409210761 560694855 /nfs/dbraw/zinc/69/48/55/560694855.db2.gz KZEBOVCZYOFXHY-DHRITJCHSA-N 0 0 416.304 6.340 40 30 HKEBRN Cc1ccc(/N=C/c2ccccc2OS(=O)(=O)c2ccc(Cl)cc2)cc1Cl ZINC000409210763 559020160 /nfs/dbraw/zinc/02/01/60/559020160.db2.gz MJDSALMZRSQJDR-YDZHTSKRSA-N 0 0 420.317 5.820 40 30 HKEBRN N#Cc1ccccc1-c1ccc(/C=C2/SC(=O)N(CCc3ccccc3)C2=O)o1 ZINC000409210792 559020156 /nfs/dbraw/zinc/02/01/56/559020156.db2.gz GTBJGRHNYXYMKK-KGENOOAVSA-N 0 0 400.459 5.097 40 30 HKEBRN Cc1cccc(NC(=O)COc2ccc(/C=N/c3ccccc3)cc2Br)c1 ZINC000409210833 559020175 /nfs/dbraw/zinc/02/01/75/559020175.db2.gz LDGKVJCXJAWUNL-ZVHZXABRSA-N 0 0 423.310 5.526 40 30 HKEBRN Cc1c(Cl)cccc1/N=C/c1cc(Cl)c(OCc2ccccc2)c(Cl)c1 ZINC000409210836 559020138 /nfs/dbraw/zinc/02/01/38/559020138.db2.gz MSVZDKWRWGIFAA-BRJLIKDPSA-N 0 0 404.724 7.285 40 30 HKEBRN Cc1ccc(Cl)cc1/N=C/c1cc(Cl)ccc1OCC(=O)Nc1ccccc1 ZINC000409210905 559020331 /nfs/dbraw/zinc/02/03/31/559020331.db2.gz LNOSVFWPDDNCKH-DHRITJCHSA-N 0 0 413.304 6.070 40 30 HKEBRN COc1ccc(/N=C/c2c(OCc3cccc4ccccc43)ccc3ccccc32)cc1 ZINC000409210908 560695007 /nfs/dbraw/zinc/69/50/07/560695007.db2.gz HLQFPFOABYRXEY-NDZAJKAJSA-N 0 0 417.508 7.331 40 30 HKEBRN CCOc1cc(/C=N/c2cc(Cl)ccc2C)cc(Cl)c1OCc1ccccc1 ZINC000409210961 559020366 /nfs/dbraw/zinc/02/03/66/559020366.db2.gz MEHRXCVXTHGXSM-VULFUBBASA-N 0 0 414.332 7.030 40 30 HKEBRN Cc1ccc(/N=C/c2c(OCC(=O)Nc3cccc(C)c3)ccc3ccccc32)cc1 ZINC000409210975 559020392 /nfs/dbraw/zinc/02/03/92/559020392.db2.gz MIBHAZAENOPUQT-OGLMXYFKSA-N 0 0 408.501 6.225 40 30 HKEBRN COc1cc(/C=N/c2ccc(C)cc2)cc(Br)c1OCc1ccccc1 ZINC000409210976 559020375 /nfs/dbraw/zinc/02/03/75/559020375.db2.gz MIDDORJMIZLFTO-ZVHZXABRSA-N 0 0 410.311 6.096 40 30 HKEBRN CCOc1cc(/C=N/c2cc(Cl)ccc2C)ccc1OCc1ccc(Cl)cc1 ZINC000409210980 560695028 /nfs/dbraw/zinc/69/50/28/560695028.db2.gz MKXBROAVGXJYFW-VULFUBBASA-N 0 0 414.332 7.030 40 30 HKEBRN Cc1c(Cl)cccc1/N=C/c1ccccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409210986 560695017 /nfs/dbraw/zinc/69/50/17/560695017.db2.gz MONXETJIYFEBJA-WSDLNYQXSA-N 0 0 411.801 6.008 40 30 HKEBRN CCOc1cc(/C=N/c2ccccc2)cc(Cl)c1OCC(=O)Nc1ccccc1 ZINC000409211005 559020350 /nfs/dbraw/zinc/02/03/50/559020350.db2.gz LPSMHBMKYHYNOQ-MFKUBSTISA-N 0 0 408.885 5.507 40 30 HKEBRN CCOc1c(Br)cc(/C=N/c2ccc(C)c(C)c2)cc1Br ZINC000409211006 559020373 /nfs/dbraw/zinc/02/03/73/559020373.db2.gz LPVLGEZRXVVRBR-KEBDBYFISA-N 0 0 411.137 5.978 40 30 HKEBRN Cc1c(Cl)cccc1/N=C/c1cc(Cl)ccc1OS(=O)(=O)c1ccccc1 ZINC000409211036 560695010 /nfs/dbraw/zinc/69/50/10/560695010.db2.gz LWEXWSFAKBLHMK-YDZHTSKRSA-N 0 0 420.317 5.820 40 30 HKEBRN Cc1c(Cl)cccc1/N=C/c1ccc(OCc2cccc3ccccc32)c(Cl)c1 ZINC000409211039 559020342 /nfs/dbraw/zinc/02/03/42/559020342.db2.gz LXNVZTBZCGQUOA-RWPZCVJISA-N 0 0 420.339 7.785 40 30 HKEBRN Cc1c(Cl)cccc1/N=C/c1c(OCc2cccc(F)c2)ccc2ccccc21 ZINC000409211051 559020382 /nfs/dbraw/zinc/02/03/82/559020382.db2.gz MGBUIDDIWQUIOZ-RWPZCVJISA-N 0 0 403.884 7.270 40 30 HKEBRN Clc1ccccc1COc1ccc(/C=N/c2ccccc2)cc1Br ZINC000409211080 560695153 /nfs/dbraw/zinc/69/51/53/560695153.db2.gz KNXQQCIWQJVHNS-YDZHTSKRSA-N 0 0 400.703 6.432 40 30 HKEBRN Cc1ccc(/N=C/c2cc(Br)ccc2OCc2cccc(F)c2)cc1C ZINC000409211086 559020365 /nfs/dbraw/zinc/02/03/65/559020365.db2.gz MQAXXEXYSDYIJI-DHRITJCHSA-N 0 0 412.302 6.535 40 30 HKEBRN Cc1ccc(Cl)cc1/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000409211113 560695126 /nfs/dbraw/zinc/69/51/26/560695126.db2.gz HVHODCWDEDGHFG-BRJLIKDPSA-N 0 0 404.724 7.285 40 30 HKEBRN Cc1ccccc1/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000409211124 560695141 /nfs/dbraw/zinc/69/51/41/560695141.db2.gz KWOXLWKVJVGDKT-BRJLIKDPSA-N 0 0 404.724 7.285 40 30 HKEBRN Cc1ccc(/N=C/c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)cc1Cl ZINC000409211132 559020354 /nfs/dbraw/zinc/02/03/54/559020354.db2.gz MXLZBDHUNXZILQ-KBKYJPHKSA-N 0 0 422.714 7.424 40 30 HKEBRN Cc1ccc(/N=C/c2cc(Cl)ccc2OCc2cccc(Cl)c2)cc1Cl ZINC000409211140 559020361 /nfs/dbraw/zinc/02/03/61/559020361.db2.gz MHDHUKKNQPQUAT-BRJLIKDPSA-N 0 0 404.724 7.285 40 30 HKEBRN Cc1cccc(NC(=O)COc2ccc3ccccc3c2/C=N/c2ccccc2C)c1 ZINC000409211203 559020356 /nfs/dbraw/zinc/02/03/56/559020356.db2.gz NDJTXKWSQQBZSN-OGLMXYFKSA-N 0 0 408.501 6.225 40 30 HKEBRN COc1cc(/C=N/c2ccc(C)cc2)ccc1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409211219 560695151 /nfs/dbraw/zinc/69/51/51/560695151.db2.gz NCMLOOQMHBWPJT-OEAKJJBVSA-N 0 0 415.898 5.175 40 30 HKEBRN CCOc1cc(/C=N/c2cccc(C)c2C)ccc1OCC(=O)Nc1ccccc1 ZINC000409211233 560695131 /nfs/dbraw/zinc/69/51/31/560695131.db2.gz LGMINEPHTINMHA-WGOQTCKBSA-N 0 0 402.494 5.470 40 30 HKEBRN CCOc1cc(/C=N/c2ccc(C)c(Cl)c2)ccc1OCc1ccccc1Cl ZINC000409211236 560695132 /nfs/dbraw/zinc/69/51/32/560695132.db2.gz NCWABMVSHGDDDB-VULFUBBASA-N 0 0 414.332 7.030 40 30 HKEBRN CN(C)c1ccc(C2C3=C(CC(C)(C)CC3=O)N(C)C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000409211260 559020380 /nfs/dbraw/zinc/02/03/80/559020380.db2.gz MRUDGHCNWYKYTB-UHFFFAOYSA-N 0 0 406.570 5.068 40 30 HKEBRN Cc1ccc(/N=C/c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc32)cc1C ZINC000409211269 559020498 /nfs/dbraw/zinc/02/04/98/559020498.db2.gz MSXBAUPGFVKBKN-JVWAILMASA-N 0 0 410.473 6.694 40 30 HKEBRN Cc1ccc(/N=C/c2cc(Cl)c(OCC(=O)Nc3ccccc3)c(Cl)c2)cc1 ZINC000409211281 559020455 /nfs/dbraw/zinc/02/04/55/559020455.db2.gz NHNDRZVBHKTXJR-DHRITJCHSA-N 0 0 413.304 6.070 40 30 HKEBRN COc1cc(/C=N/c2ccc(C)cc2C)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409211332 559020503 /nfs/dbraw/zinc/02/05/03/559020503.db2.gz IQMQXPHXBYVGHO-DHRITJCHSA-N 0 0 424.884 6.203 40 30 HKEBRN C=CCOc1c(Cl)cc(/C=C2\SC(=O)N(CCCCC)C2=O)cc1OCC ZINC000409211343 560695194 /nfs/dbraw/zinc/69/51/94/560695194.db2.gz LOPVUUYTEBFCAS-LGMDPLHJSA-N 0 0 409.935 5.530 40 30 HKEBRN Cc1ccc(C)c(/N=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)c1 ZINC000409211369 560695192 /nfs/dbraw/zinc/69/51/92/560695192.db2.gz NBCQOYSQHAOXJN-LGJNPRDNSA-N 0 0 414.383 6.773 40 30 HKEBRN Cc1ccc(/N=C/c2cc(Cl)c(OS(=O)(=O)c3ccccc3)c(Cl)c2)cc1 ZINC000409211401 559020123 /nfs/dbraw/zinc/02/01/23/559020123.db2.gz NCTOGQCRGRIAAY-YDZHTSKRSA-N 0 0 420.317 5.820 40 30 HKEBRN CCOc1cc(/C=N/c2cccc(C)c2C)cc(I)c1OC ZINC000409211425 559020757 /nfs/dbraw/zinc/02/07/57/559020757.db2.gz NSISJPRKRPNPGN-RGVLZGJSSA-N 0 0 409.267 5.066 40 30 HKEBRN COc1ccc(/N=C/c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)cc1 ZINC000409211429 559020900 /nfs/dbraw/zinc/02/09/00/559020900.db2.gz NPHVRSYBIDPTGQ-BRJLIKDPSA-N 0 0 404.268 6.471 40 30 HKEBRN CCOc1cc(/C=N/c2cc(C)ccc2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409211433 559020887 /nfs/dbraw/zinc/02/08/87/559020887.db2.gz NUSXKROEZZUNPU-MFKUBSTISA-N 0 0 404.466 5.940 40 30 HKEBRN COC(=O)COc1ccc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1 ZINC000409211466 559020932 /nfs/dbraw/zinc/02/09/32/559020932.db2.gz JKGDLYUEFQVMBZ-IXBOPPFXSA-N 0 0 410.539 5.073 40 30 HKEBRN COC(=O)COc1ccc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1 ZINC000409211470 559020912 /nfs/dbraw/zinc/02/09/12/559020912.db2.gz JKGDLYUEFQVMBZ-WJNWYLSZSA-N 0 0 410.539 5.073 40 30 HKEBRN CCOc1cc(/C=N/c2ccccc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409211480 559020878 /nfs/dbraw/zinc/02/08/78/559020878.db2.gz NJPUNSQRDFSHCS-HYARGMPZSA-N 0 0 407.382 5.445 40 30 HKEBRN Cc1ccc(C)c(/N=C/c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)c1 ZINC000409211484 560695203 /nfs/dbraw/zinc/69/52/03/560695203.db2.gz NXRRZBUWYPWSHZ-RPPGKUMJSA-N 0 0 402.296 7.079 40 30 HKEBRN CCOc1cc(/C=N/c2ccc(CC)cc2)cc(I)c1OCC ZINC000409211568 560695379 /nfs/dbraw/zinc/69/53/79/560695379.db2.gz OIUNQGNRIPKWTF-FYJGNVAPSA-N 0 0 423.294 5.402 40 30 HKEBRN CC(C)/N=C1\S/C(=C/c2ccc(OCc3ccccc3F)cc2)C(=O)N1C(C)C ZINC000409211577 560695400 /nfs/dbraw/zinc/69/54/00/560695400.db2.gz OHHHAPAKFPMAAH-RRJMXWIWSA-N 0 0 412.530 5.494 40 30 HKEBRN Cc1ccc(/N=C\c2cccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c2)cc1C ZINC000409211603 559020890 /nfs/dbraw/zinc/02/08/90/559020890.db2.gz MAERZTOPPJHBSV-WGARJPEWSA-N 0 0 406.913 6.033 40 30 HKEBRN Cc1ccc(/N=C\c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1Cl ZINC000409211612 560695392 /nfs/dbraw/zinc/69/53/92/560695392.db2.gz MBVWCAYZUKXPPD-ROTLSHHCSA-N 0 0 404.724 7.285 40 30 HKEBRN Cc1c(Cl)cccc1/N=C/c1ccc(OCc2ccccc2Cl)c(Cl)c1 ZINC000409211629 560695354 /nfs/dbraw/zinc/69/53/54/560695354.db2.gz MEOBIFWKFGDBGB-BRJLIKDPSA-N 0 0 404.724 7.285 40 30 HKEBRN COc1cc(/C=N/c2ccc(C)c(Cl)c2)ccc1OCc1cccc(Cl)c1 ZINC000409211633 559020896 /nfs/dbraw/zinc/02/08/96/559020896.db2.gz NIYBGUUBUMIRDP-DHRITJCHSA-N 0 0 400.305 6.640 40 30 HKEBRN Cc1ccc(/N=C/c2ccc(OCc3ccccc3)c(Br)c2)cc1Cl ZINC000409211642 560695389 /nfs/dbraw/zinc/69/53/89/560695389.db2.gz MJFGMGZEEZIEJR-ZMOGYAJESA-N 0 0 414.730 6.741 40 30 HKEBRN Cc1ccc(/N=C/c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)cc1C ZINC000409211655 560695367 /nfs/dbraw/zinc/69/53/67/560695367.db2.gz NNDBBEUVMBBLTM-RPPGKUMJSA-N 0 0 402.296 7.079 40 30 HKEBRN Cc1cccc(/N=C/c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)c1C ZINC000409211673 560695362 /nfs/dbraw/zinc/69/53/62/560695362.db2.gz MOIJGDRINSFVLN-RPPGKUMJSA-N 0 0 402.296 7.079 40 30 HKEBRN COc1cc(/C=N/c2ccc(C)cc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409211686 559020893 /nfs/dbraw/zinc/02/08/93/559020893.db2.gz MSHZUONGHANRCY-ZMOGYAJESA-N 0 0 410.857 5.895 40 30 HKEBRN Brc1ccc(OCc2cccc3ccccc32)c(/C=N/c2ccccc2)c1 ZINC000409211694 560695369 /nfs/dbraw/zinc/69/53/69/560695369.db2.gz NUXWBUIACNZBDG-WGOQTCKBSA-N 0 0 416.318 6.932 40 30 HKEBRN COc1ccc(/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)cc1 ZINC000409211695 559020875 /nfs/dbraw/zinc/02/08/75/559020875.db2.gz MTPMLCPGXWZRBY-BRJLIKDPSA-N 0 0 420.723 6.985 40 30 HKEBRN CCc1ccc(/N=C/c2c(OS(=O)(=O)c3ccccc3)ccc3ccccc32)cc1 ZINC000409211703 560695374 /nfs/dbraw/zinc/69/53/74/560695374.db2.gz OFCYIBYAVRJGAR-NLRVBDNBSA-N 0 0 415.514 5.921 40 30 HKEBRN Cc1c(Cl)cccc1/N=C/c1cc(Cl)ccc1OCc1cccc2ccccc21 ZINC000409211731 559020925 /nfs/dbraw/zinc/02/09/25/559020925.db2.gz OJFQGLVNTDMQKQ-RWPZCVJISA-N 0 0 420.339 7.785 40 30 HKEBRN CCOc1cc(/C=N/c2ccc(C)c(C)c2)ccc1OCC(=O)Nc1ccccc1 ZINC000409211763 559020922 /nfs/dbraw/zinc/02/09/22/559020922.db2.gz MYCCAPQDHUBZHZ-WGOQTCKBSA-N 0 0 402.494 5.470 40 30 HKEBRN CCOc1ccc(/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)cc1 ZINC000409211781 560695420 /nfs/dbraw/zinc/69/54/20/560695420.db2.gz KCFSHEXAPOTVEW-ZVHZXABRSA-N 0 0 410.857 5.977 40 30 HKEBRN Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2/C=N/c2ccccc2)cc1 ZINC000409211788 560695352 /nfs/dbraw/zinc/69/53/52/560695352.db2.gz OFWKVXGPGZLRPQ-KOEQRZSOSA-N 0 0 401.487 5.667 40 30 HKEBRN COc1cc(/C=N/c2cccc(Cl)c2C)cc(Cl)c1OCc1ccc(F)cc1 ZINC000409211796 559020885 /nfs/dbraw/zinc/02/08/85/559020885.db2.gz NBWUXJXWHOKFQJ-RPPGKUMJSA-N 0 0 418.295 6.779 40 30 HKEBRN CCc1ccc(/N=C/c2ccc(OCc3ccc(F)cc3)c(Br)c2)cc1 ZINC000409211840 560695463 /nfs/dbraw/zinc/69/54/63/560695463.db2.gz OKOXZOYNYLJVCM-AFUMVMLFSA-N 0 0 412.302 6.480 40 30 HKEBRN CCc1ccc(/N=C/c2cc(Cl)ccc2OCC(=O)Nc2cccc(C)c2)cc1 ZINC000409211846 560695436 /nfs/dbraw/zinc/69/54/36/560695436.db2.gz NHFHUNLKQMDQMS-CVKSISIWSA-N 0 0 406.913 5.979 40 30 HKEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(/N=C\c3ccc(F)c(Br)c3)sc2C1 ZINC000409211879 560695418 /nfs/dbraw/zinc/69/54/18/560695418.db2.gz ONXKQUAHZVPQKC-ADUFUACUSA-N 0 0 419.363 6.423 40 30 HKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(/N=C\c3ccc(F)c(Br)c3)sc2C1 ZINC000409211887 559020969 /nfs/dbraw/zinc/02/09/69/559020969.db2.gz ONXKQUAHZVPQKC-PMZVSURPSA-N 0 0 419.363 6.423 40 30 HKEBRN CCc1ccc(/N=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)cc1 ZINC000409211906 560695430 /nfs/dbraw/zinc/69/54/30/560695430.db2.gz PCCJKIMWSAUHEE-VULFUBBASA-N 0 0 414.383 6.719 40 30 HKEBRN Clc1ccc(COc2ccc(/C=N/c3ccccc3)cc2Br)cc1 ZINC000409211948 559020976 /nfs/dbraw/zinc/02/09/76/559020976.db2.gz OUQSWPCMOHUUNW-YDZHTSKRSA-N 0 0 400.703 6.432 40 30 HKEBRN CCc1ccc(/N=C/c2ccc(OCC(=O)Nc3cccc(C)c3)c(Cl)c2)cc1 ZINC000409211952 559020945 /nfs/dbraw/zinc/02/09/45/559020945.db2.gz PIUMLQYTIOHWPY-CVKSISIWSA-N 0 0 406.913 5.979 40 30 HKEBRN Cc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)c(C)n1NC(=O)c1ccccc1 ZINC000409211982 559020988 /nfs/dbraw/zinc/02/09/88/559020988.db2.gz PAAIAZLGSZVDGD-OVVQPSECSA-N 0 0 409.489 6.032 40 30 HKEBRN Cc1c(Cl)cccc1/N=C/c1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1 ZINC000409212026 560695466 /nfs/dbraw/zinc/69/54/66/560695466.db2.gz LJLUIFROHDQAPV-KBKYJPHKSA-N 0 0 422.714 7.424 40 30 HKEBRN CCOc1cc(/C=N/c2cccc(Cl)c2C)ccc1OCC(=O)Nc1ccccc1 ZINC000409212048 560695585 /nfs/dbraw/zinc/69/55/85/560695585.db2.gz PIYSSGZPLUCECN-CVKSISIWSA-N 0 0 422.912 5.815 40 30 HKEBRN Cc1ccc(Cl)cc1/N=C/c1ccccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409212066 559020719 /nfs/dbraw/zinc/02/07/19/559020719.db2.gz PQLKRBBVZDMBQT-WSDLNYQXSA-N 0 0 411.801 6.008 40 30 HKEBRN Brc1cc(/C=N/c2ccccc2)ccc1OCc1cccc2ccccc21 ZINC000409212070 560695597 /nfs/dbraw/zinc/69/55/97/560695597.db2.gz PTLCJKPYWIQOHX-WGOQTCKBSA-N 0 0 416.318 6.932 40 30 HKEBRN CCCOc1ccc(/C=N/c2ccc(Oc3ccccc3)cc2)cc1Br ZINC000409212083 560695562 /nfs/dbraw/zinc/69/55/62/560695562.db2.gz OUGRRUOLOOIOHL-LFVJCYFKSA-N 0 0 410.311 6.781 40 30 HKEBRN COc1cc(/C=N/c2ccc(C)cc2C)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409212086 559020668 /nfs/dbraw/zinc/02/06/68/559020668.db2.gz PVFYEAPWZBOZOS-YDZHTSKRSA-N 0 0 421.409 5.671 40 30 HKEBRN Cc1ccc(/N=C/c2ccc(OCC(=O)Nc3ccccc3)c(Cl)c2)cc1Cl ZINC000409212093 559020725 /nfs/dbraw/zinc/02/07/25/559020725.db2.gz PZEUMBDGHUHVOV-DHRITJCHSA-N 0 0 413.304 6.070 40 30 HKEBRN COc1cc(/C=N/c2cc(Cl)ccc2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409212115 560695578 /nfs/dbraw/zinc/69/55/78/560695578.db2.gz OYYXPVUQXIXPGT-ZMOGYAJESA-N 0 0 410.857 5.895 40 30 HKEBRN Clc1ccc(COc2ccc(/C=N/c3ccc(Oc4ccccc4)cc3)cc2)cc1 ZINC000409212139 559020734 /nfs/dbraw/zinc/02/07/34/559020734.db2.gz PLHHBDNINJLVLD-MTDXEUNCSA-N 0 0 413.904 7.462 40 30 HKEBRN CCc1ccc(/N=C/c2c(OCc3cccc4ccccc43)ccc3ccccc32)cc1 ZINC000409212141 560695591 /nfs/dbraw/zinc/69/55/91/560695591.db2.gz PLOZLWPSGYOSGL-AJBULDERSA-N 0 0 415.536 7.885 40 30 HKEBRN COc1c(Br)cc(Br)cc1/C=N/c1cc(Cl)ccc1C ZINC000409212143 560695595 /nfs/dbraw/zinc/69/55/95/560695595.db2.gz PMXJQGPEYHUXKN-UFWORHAWSA-N 0 0 417.528 5.933 40 30 HKEBRN CCOc1ccc(/N=C/c2cc(Cl)ccc2OS(=O)(=O)c2ccccc2)cc1 ZINC000409212154 559020686 /nfs/dbraw/zinc/02/06/86/559020686.db2.gz NJUXMGLNLKTKPF-HZHRSRAPSA-N 0 0 415.898 5.257 40 30 HKEBRN COc1ccc(/N=C/c2c(OCc3cccc(Cl)c3)ccc3ccccc32)cc1 ZINC000409212160 559020682 /nfs/dbraw/zinc/02/06/82/559020682.db2.gz PQQLCZBTUBRDSR-JVWAILMASA-N 0 0 401.893 6.831 40 30 HKEBRN Cc1ccc(/N=C/c2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)cc1C ZINC000409212194 560695569 /nfs/dbraw/zinc/69/55/69/560695569.db2.gz PYWASJXXJZAVCD-RPPGKUMJSA-N 0 0 418.751 7.593 40 30 HKEBRN CCOc1cc(/C=N/c2ccc(C)cc2C)cc(I)c1OC ZINC000409212196 560695556 /nfs/dbraw/zinc/69/55/56/560695556.db2.gz NVRNWEGFWDTSHS-RGVLZGJSSA-N 0 0 409.267 5.066 40 30 HKEBRN Cc1ccc(/N=C/c2ccc(OCC(=O)Nc3ccccc3)c(Br)c2)cc1 ZINC000409212206 559021002 /nfs/dbraw/zinc/02/10/02/559021002.db2.gz QBLIEYQYENRQMT-ZVHZXABRSA-N 0 0 423.310 5.526 40 30 HKEBRN Cc1ccc(COc2ccc(/C=N/c3ccc(C)c(C)c3)cc2Br)cc1 ZINC000409212208 560695547 /nfs/dbraw/zinc/69/55/47/560695547.db2.gz QBVGQBIGAKEIPG-AFUMVMLFSA-N 0 0 408.339 6.704 40 30 HKEBRN CCOc1cc(/C=N/c2ccccc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409212216 559021153 /nfs/dbraw/zinc/02/11/53/559021153.db2.gz OSSLDQZPJXYKJO-ZVHZXABRSA-N 0 0 410.857 5.977 40 30 HKEBRN Cc1ccc(/N=C/c2cc(Cl)ccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000409212225 559021129 /nfs/dbraw/zinc/02/11/29/559021129.db2.gz OTFBJBLYHUJBAV-WSDLNYQXSA-N 0 0 411.801 6.008 40 30 HKEBRN CCOc1cc(/C=N/c2cccc(C)c2C)cc(I)c1OCC ZINC000409212234 560695554 /nfs/dbraw/zinc/69/55/54/560695554.db2.gz OEHYINACXBKEBS-CIAFOILYSA-N 0 0 423.294 5.456 40 30 HKEBRN CCOc1cc(/C=N/c2cc(C)ccc2C)cc(I)c1OCC ZINC000409212256 560695567 /nfs/dbraw/zinc/69/55/67/560695567.db2.gz OIBJKWNNFMUEIS-CIAFOILYSA-N 0 0 423.294 5.456 40 30 HKEBRN CCOc1ccc(/N=C/c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)cc1 ZINC000409212267 560695692 /nfs/dbraw/zinc/69/56/92/560695692.db2.gz PGGIMMYGZBZRNM-LGJNPRDNSA-N 0 0 418.295 6.861 40 30 HKEBRN Cc1ccc(NC(=O)COc2ccc(/C=N/c3cccc(C)c3C)cc2)cc1Cl ZINC000409212283 560695647 /nfs/dbraw/zinc/69/56/47/560695647.db2.gz OOIHXSDIKWVFPZ-VULFUBBASA-N 0 0 406.913 6.033 40 30 HKEBRN CCOc1cc(/C=N/c2ccc(OC)cc2)cc(Cl)c1OCc1ccccc1F ZINC000409212284 560695690 /nfs/dbraw/zinc/69/56/90/560695690.db2.gz PKZZGGREHGXYBQ-VULFUBBASA-N 0 0 413.876 6.216 40 30 HKEBRN Cc1ccc(/N=C/c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1Cl ZINC000409212286 559021101 /nfs/dbraw/zinc/02/11/01/559021101.db2.gz PLSYSEWBUXCJOH-WSDLNYQXSA-N 0 0 411.801 6.008 40 30 HKEBRN CCOc1c(I)cc(/C=N/c2ccc(C)cc2C)cc1OC ZINC000409212314 560695688 /nfs/dbraw/zinc/69/56/88/560695688.db2.gz OTPTWTVKCXZGJT-RGVLZGJSSA-N 0 0 409.267 5.066 40 30 HKEBRN Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)o1 ZINC000409212330 559021130 /nfs/dbraw/zinc/02/11/30/559021130.db2.gz PZGJKJZUJONBFK-OESWBVNESA-N 0 0 413.499 5.252 40 30 HKEBRN O=[N+]([O-])c1ccc(NN=Cc2cn(CCOc3ccccc3)c3ccccc23)cc1 ZINC000409212352 559021076 /nfs/dbraw/zinc/02/10/76/559021076.db2.gz QFRZAWCTEXHAJC-JLPGSUDCSA-N 0 0 400.438 5.075 40 30 HKEBRN CCOc1cc(/C=N/c2ccc(C)c(C)c2)ccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000409212355 560695685 /nfs/dbraw/zinc/69/56/85/560695685.db2.gz QHRYQNKRCDWVAN-PCLIKHOPSA-N 0 0 423.534 5.529 40 30 HKEBRN Cc1cccc(NC(=O)COc2ccc3ccccc3c2/C=N/c2ccc(C)cc2C)c1 ZINC000409212365 559021140 /nfs/dbraw/zinc/02/11/40/559021140.db2.gz QLLFCHUFXFBBNT-STBIYBPSSA-N 0 0 422.528 6.533 40 30 HKEBRN COc1cc(/C=N/c2cc(C)ccc2C)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409212371 559021143 /nfs/dbraw/zinc/02/11/43/559021143.db2.gz QPWSXNHGDKHEKV-DHRITJCHSA-N 0 0 424.884 6.203 40 30 HKEBRN Cc1c(Cl)cccc1/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1 ZINC000409212376 559021080 /nfs/dbraw/zinc/02/10/80/559021080.db2.gz QTXKQWQPAUSAEY-WYMPLXKRSA-N 0 0 415.276 6.540 40 30 HKEBRN C=CCN1C(=O)/C(=C\c2cn(CCOc3ccccc3)c3ccccc23)SC1=S ZINC000409212384 560695677 /nfs/dbraw/zinc/69/56/77/560695677.db2.gz QXMRTLOKALMFGR-RCCKNPSSSA-N 0 0 420.559 5.108 40 30 HKEBRN Cc1ccccc1/N=C/c1ccc(OCc2ccc(Br)cc2)c(Cl)c1 ZINC000409212426 559021083 /nfs/dbraw/zinc/02/10/83/559021083.db2.gz PYIVVGDPVCXZQU-ZMOGYAJESA-N 0 0 414.730 6.741 40 30 HKEBRN Cc1ccc(Cl)cc1/N=C\c1cccc(OS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000409212468 559021104 /nfs/dbraw/zinc/02/11/04/559021104.db2.gz MNJJRRMSLPJCOT-QRVIBDJDSA-N 0 0 420.317 5.820 40 30 HKEBRN COc1cc(/C=N/c2ccccc2)cc(Br)c1OCc1ccc(C)cc1 ZINC000409212524 560695747 /nfs/dbraw/zinc/69/57/47/560695747.db2.gz QNSHLTPRBNHCJK-ZVHZXABRSA-N 0 0 410.311 6.096 40 30 HKEBRN Cc1ccc(/N=C/c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)cc2)c(C)c1 ZINC000409212531 560695722 /nfs/dbraw/zinc/69/57/22/560695722.db2.gz MYAGLEUKTNMGPA-VULFUBBASA-N 0 0 406.913 6.033 40 30 HKEBRN Cc1ccc(/N=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1C ZINC000409212542 559021087 /nfs/dbraw/zinc/02/10/87/559021087.db2.gz QOWHRYGBWVHYRA-LGJNPRDNSA-N 0 0 414.383 6.773 40 30 HKEBRN Cc1ccc(/N=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C)c1 ZINC000409212546 559021116 /nfs/dbraw/zinc/02/11/16/559021116.db2.gz QXDYXWZDUSCJRH-LGJNPRDNSA-N 0 0 414.383 6.773 40 30 HKEBRN Cc1ccc(/N=C/c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)cc1 ZINC000409212552 559021122 /nfs/dbraw/zinc/02/11/22/559021122.db2.gz QYHAOAKLYRCTLZ-ZMOGYAJESA-N 0 0 414.730 6.741 40 30 HKEBRN Cc1ccc(/N=C/c2cc(Cl)c(OCc3cccc(Cl)c3)c(Cl)c2)c(C)c1 ZINC000409212575 560695743 /nfs/dbraw/zinc/69/57/43/560695743.db2.gz QTALELDQTSUKEO-RPPGKUMJSA-N 0 0 418.751 7.593 40 30 HKEBRN Cc1ccc(Cl)cc1/N=C/c1ccc(OCc2ccccc2)c(Br)c1 ZINC000409212588 560695756 /nfs/dbraw/zinc/69/57/56/560695756.db2.gz QUQISDIIVKIRLE-ZMOGYAJESA-N 0 0 414.730 6.741 40 30 HKEBRN CCOc1cc(/C=N/c2cc(C)ccc2C)cc(Cl)c1OCc1ccc(F)cc1 ZINC000409212590 560695718 /nfs/dbraw/zinc/69/57/18/560695718.db2.gz QURHIZPTKZRRGS-MZJWZYIUSA-N 0 0 411.904 6.824 40 30 HKEBRN Cc1cccc(NC(=O)COc2c(Cl)cc(/C=N/c3ccccc3)cc2Cl)c1 ZINC000409212600 560695707 /nfs/dbraw/zinc/69/57/07/560695707.db2.gz RHFVOPHZRRVSFL-DHRITJCHSA-N 0 0 413.304 6.070 40 30 HKEBRN Cc1ccc(/N=C/c2ccc(OCc3ccccc3Cl)c(Br)c2)cc1 ZINC000409212620 559021126 /nfs/dbraw/zinc/02/11/26/559021126.db2.gz QZNAOVCAEDCMIU-ZMOGYAJESA-N 0 0 414.730 6.741 40 30 HKEBRN C=CCOc1c(Br)cc(/C=N/c2ccc(CC)cc2)cc1Br ZINC000409212624 560695745 /nfs/dbraw/zinc/69/57/45/560695745.db2.gz RAVVEKLDDCCLSR-CIAFOILYSA-N 0 0 423.148 6.089 40 30 HKEBRN Clc1ccc(OCc2ccccc2)c(/C=N/c2ccc(Oc3ccccc3)cc2)c1 ZINC000409212640 559021092 /nfs/dbraw/zinc/02/10/92/559021092.db2.gz RQWRKGHGSLHKFE-MTDXEUNCSA-N 0 0 413.904 7.462 40 30 HKEBRN COc1c(Br)cc(/C=N/c2ccc(C)c(Cl)c2)cc1Br ZINC000409212646 560695752 /nfs/dbraw/zinc/69/57/52/560695752.db2.gz RFSJWHJPVLELNV-UFWORHAWSA-N 0 0 417.528 5.933 40 30 HKEBRN COc1cc(/C=N/c2ccccc2C)cc(Cl)c1OCC(=O)Nc1ccccc1 ZINC000409212648 560695727 /nfs/dbraw/zinc/69/57/27/560695727.db2.gz RGRWQNCWIIYOFE-AFUMVMLFSA-N 0 0 408.885 5.425 40 30 HKEBRN COc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)ccc1OCc1ccc(C)cc1 ZINC000409212681 560695720 /nfs/dbraw/zinc/69/57/20/560695720.db2.gz PHAIDJHYCJLLTI-VUTHCHCSSA-N 0 0 423.512 7.126 40 30 HKEBRN Cc1ccc(NC(=O)COc2cccc(/C=N\c3cccc(C)c3C)c2)cc1Cl ZINC000409212698 560695713 /nfs/dbraw/zinc/69/57/13/560695713.db2.gz PPELBHAYCNEGEG-WGARJPEWSA-N 0 0 406.913 6.033 40 30 HKEBRN C=CCOc1ccc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)cc1Br ZINC000409212708 560695711 /nfs/dbraw/zinc/69/57/11/560695711.db2.gz PSSJADZOTUDLIX-SMSCYPBYSA-N 0 0 423.376 5.103 40 30 HKEBRN COc1cc(/C=N/c2ccc(C)c(Cl)c2)ccc1OCc1ccc(Cl)cc1 ZINC000409212715 559021158 /nfs/dbraw/zinc/02/11/58/559021158.db2.gz PWDSSXYNNTWFID-DHRITJCHSA-N 0 0 400.305 6.640 40 30 HKEBRN N#Cc1c(/N=C/c2cc([N+](=O)[O-])c(Cl)cc2Cl)sc2c1C1CCN2CC1 ZINC000409212756 559021217 /nfs/dbraw/zinc/02/12/17/559021217.db2.gz QUBMTIJWCZSGOY-ODCIPOBUSA-N 0 0 407.282 5.283 40 30 HKEBRN C#CCOc1c(Br)cc(Br)cc1/C=N/c1cccc(C)c1C ZINC000409212785 560695864 /nfs/dbraw/zinc/69/58/64/560695864.db2.gz REFJSVMCENBMBS-SRZZPIQSSA-N 0 0 421.132 5.591 40 30 HKEBRN Clc1ccccc1COc1ccccc1/C=N/c1ccc(Oc2ccccc2)cc1 ZINC000409212797 560695882 /nfs/dbraw/zinc/69/58/82/560695882.db2.gz RGVFGPMCLTXDEK-MTDXEUNCSA-N 0 0 413.904 7.462 40 30 HKEBRN Cc1cccc(NC(=O)COc2ccc3ccccc3c2/C=N/c2ccc(C)c(C)c2)c1 ZINC000409212802 560695839 /nfs/dbraw/zinc/69/58/39/560695839.db2.gz QPFDPKUSPRUINY-STBIYBPSSA-N 0 0 422.528 6.533 40 30 HKEBRN COc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)ccc1OCc1ccccc1 ZINC000409212822 560695841 /nfs/dbraw/zinc/69/58/41/560695841.db2.gz QVFAWHCOVZTDHZ-TURZUDJPSA-N 0 0 409.485 6.817 40 30 HKEBRN COc1cc(/C=N/c2ccccc2)cc(Br)c1OCc1cccc(F)c1 ZINC000409212828 560695893 /nfs/dbraw/zinc/69/58/93/560695893.db2.gz QXTNYUYIOJUPQK-ZMOGYAJESA-N 0 0 414.274 5.926 40 30 HKEBRN Cc1ccc(Cl)cc1/N=C\c1cccc(OCc2ccc(Br)cc2)c1 ZINC000409212829 559021214 /nfs/dbraw/zinc/02/12/14/559021214.db2.gz RGFLTXQLSMOAHJ-CFRMEGHHSA-N 0 0 414.730 6.741 40 30 HKEBRN Cc1cc(/C=N/c2ccc(Nc3ccccc3)cc2)c(C)n1NC(=O)c1ccccc1 ZINC000409212857 560695897 /nfs/dbraw/zinc/69/58/97/560695897.db2.gz RDBSFRZMZIBEPY-OVVQPSECSA-N 0 0 408.505 5.983 40 30 HKEBRN Cc1ccc(/N=C/c2c(OCc3cccc4ccccc43)ccc3ccccc32)c(C)c1 ZINC000409212901 560695860 /nfs/dbraw/zinc/69/58/60/560695860.db2.gz SBPBHSWMMQELHP-ZCTHSVRISA-N 0 0 415.536 7.939 40 30 HKEBRN Clc1cccc(COc2ccccc2/C=N/c2ccc(Oc3ccccc3)cc2)c1 ZINC000409212905 559021317 /nfs/dbraw/zinc/02/13/17/559021317.db2.gz RSGHHPDJSNOJLI-MTDXEUNCSA-N 0 0 413.904 7.462 40 30 HKEBRN CCOc1cc(/C=N/c2cccc(C)c2C)cc(Cl)c1OCc1cccc(F)c1 ZINC000409212972 560695924 /nfs/dbraw/zinc/69/59/24/560695924.db2.gz SQHBXCIHDBFMPO-MZJWZYIUSA-N 0 0 411.904 6.824 40 30 HKEBRN COc1cc(/C=N/c2ccc(C)cc2C)ccc1OCc1ccc(Br)cc1 ZINC000409212981 560695954 /nfs/dbraw/zinc/69/59/54/560695954.db2.gz NSRRRZQAORBUPP-AFUMVMLFSA-N 0 0 424.338 6.404 40 30 HKEBRN COc1cc(/C=N/c2ccc(C)c(C)c2)cc(Cl)c1OCc1cccc(Cl)c1 ZINC000409213003 559021328 /nfs/dbraw/zinc/02/13/28/559021328.db2.gz NUFZXIPKNQKYHZ-LGJNPRDNSA-N 0 0 414.332 6.948 40 30 HKEBRN C=CCOc1c(Br)cc(/C=N/c2ccc(C)cc2C)cc1Br ZINC000409213013 560695931 /nfs/dbraw/zinc/69/59/31/560695931.db2.gz NWPVKHFTHAWPHI-SRZZPIQSSA-N 0 0 423.148 6.144 40 30 HKEBRN Cc1ccc(/N=C/c2c(OCc3ccc(Cl)cc3)ccc3ccccc32)cc1Cl ZINC000409213057 559021294 /nfs/dbraw/zinc/02/12/94/559021294.db2.gz ODOUFFFFDIGJRG-RWPZCVJISA-N 0 0 420.339 7.785 40 30 HKEBRN COc1cc(/C=N/c2ccccc2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1 ZINC000409213066 559021305 /nfs/dbraw/zinc/02/13/05/559021305.db2.gz SEEIUZLDGISRGX-AFUMVMLFSA-N 0 0 408.885 5.425 40 30 HKEBRN Cc1cccc(/N=C/c2ccc(OCc3ccc(F)cc3)c(Br)c2)c1C ZINC000409213074 559021298 /nfs/dbraw/zinc/02/12/98/559021298.db2.gz OFNGFRXNKSGRMG-DHRITJCHSA-N 0 0 412.302 6.535 40 30 HKEBRN COc1cc(/C=N/c2ccc(C)cc2)cc(Br)c1OCc1ccc(C)cc1 ZINC000409213093 560695945 /nfs/dbraw/zinc/69/59/45/560695945.db2.gz SHBVYXALAYSTCP-AFUMVMLFSA-N 0 0 424.338 6.404 40 30 HKEBRN CCOc1ccc(/N=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)cc1 ZINC000409213117 560695930 /nfs/dbraw/zinc/69/59/30/560695930.db2.gz SMBHWSYCQRFVQC-HYARGMPZSA-N 0 0 407.382 5.445 40 30 HKEBRN COc1ccc(/C=N\c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c2ccccc12 ZINC000409213178 559021306 /nfs/dbraw/zinc/02/13/06/559021306.db2.gz RJVYMCZDKLECMS-COXSBDCDSA-N 0 0 402.563 6.683 40 30 HKEBRN COc1ccc(/C=N\c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c2ccccc12 ZINC000409213182 560695928 /nfs/dbraw/zinc/69/59/28/560695928.db2.gz RJVYMCZDKLECMS-IZGWQLHLSA-N 0 0 402.563 6.683 40 30 HKEBRN COc1ccc(/N=C/c2ccc(OCc3cccc(F)c3)c(Br)c2)cc1 ZINC000409213195 559021315 /nfs/dbraw/zinc/02/13/15/559021315.db2.gz PBNMGOWGZDMBBP-ZMOGYAJESA-N 0 0 414.274 5.926 40 30 HKEBRN CCN1C2=C(C(=O)CC(C)(C)C2)C(c2ccc3c(c2)OCO3)C2=C1CC(C)(C)CC2=O ZINC000409213198 559021288 /nfs/dbraw/zinc/02/12/88/559021288.db2.gz PBNMXHBUQZEFOQ-UHFFFAOYSA-N 0 0 421.537 5.121 40 30 HKEBRN COc1cc(/C=N/c2ccccc2C)cc(Br)c1OCc1ccc(C)cc1 ZINC000409213208 560695968 /nfs/dbraw/zinc/69/59/68/560695968.db2.gz SSPMMCLFFZJFIZ-AFUMVMLFSA-N 0 0 424.338 6.404 40 30 HKEBRN Cc1ccc(/N=C/c2cc(Cl)c(OCc3cccc(Cl)c3)c(Cl)c2)cc1C ZINC000409213227 560696081 /nfs/dbraw/zinc/69/60/81/560696081.db2.gz RTNMMOCFZQMRCZ-RPPGKUMJSA-N 0 0 418.751 7.593 40 30 HKEBRN Cc1ccc(COc2c(Cl)cc(/C=N/c3cccc(Cl)c3C)cc2Cl)cc1 ZINC000409213235 559021296 /nfs/dbraw/zinc/02/12/96/559021296.db2.gz RUVOJMQWGZQLKO-RPPGKUMJSA-N 0 0 418.751 7.593 40 30 HKEBRN CCOc1ccc(/N=C/c2c(OCc3cccc(Cl)c3)ccc3ccccc32)cc1 ZINC000409213236 559021330 /nfs/dbraw/zinc/02/13/30/559021330.db2.gz TYACLQWQAPPWJL-OGLMXYFKSA-N 0 0 415.920 7.222 40 30 HKEBRN CCc1ccc(-n2c(C)cc(/C=C3/S/C(=N\C(C)C)N(C(C)C)C3=O)c2C)cc1 ZINC000409213238 560696086 /nfs/dbraw/zinc/69/60/86/560696086.db2.gz TYFURZZVJYXIEF-QMSJJHEMSA-N 0 0 409.599 5.746 40 30 HKEBRN CCOc1ccc(/N=C/c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)cc1 ZINC000409213239 560696058 /nfs/dbraw/zinc/69/60/58/560696058.db2.gz SXLCMOUZZAULGE-LGJNPRDNSA-N 0 0 418.295 6.861 40 30 HKEBRN O=S(=O)(Oc1ccc(Cl)cc1/C=N/c1ccccc1)c1ccc(Cl)cc1 ZINC000409213244 560696090 /nfs/dbraw/zinc/69/60/90/560696090.db2.gz RWNZVDLDBZMHFS-LPYMAVHISA-N 0 0 406.290 5.512 40 30 HKEBRN O=S(=O)(Oc1c(Cl)cc(/C=N/c2ccccc2)cc1Cl)c1ccccc1 ZINC000409213281 559021299 /nfs/dbraw/zinc/02/12/99/559021299.db2.gz TZJJWJBKCXSPSH-LPYMAVHISA-N 0 0 406.290 5.512 40 30 HKEBRN Cc1ccc(Cl)cc1/N=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1 ZINC000409213313 560696063 /nfs/dbraw/zinc/69/60/63/560696063.db2.gz SHJRAMOXFPAWFI-BRJLIKDPSA-N 0 0 404.724 7.285 40 30 HKEBRN Cc1ccc(Cl)cc1/N=C/c1cc(Cl)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409213344 559021285 /nfs/dbraw/zinc/02/12/85/559021285.db2.gz SMSGDOLPBGJFFN-WYMPLXKRSA-N 0 0 415.276 6.540 40 30 HKEBRN Cc1ccc(/N=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)cc1C ZINC000409213364 560696057 /nfs/dbraw/zinc/69/60/57/560696057.db2.gz SZIOGDDTIXIGOT-RPPGKUMJSA-N 0 0 418.751 7.593 40 30 HKEBRN Cc1cc(/C=N\c2ccc(Br)cc2C)c(C)n1NC(=O)c1ccccc1 ZINC000409213375 559021354 /nfs/dbraw/zinc/02/13/54/559021354.db2.gz TXJNVCWBMLJSMN-QRVIBDJDSA-N 0 0 410.315 5.310 40 30 HKEBRN Cc1ccc(Cl)cc1/N=C/c1c(OCc2ccccc2F)ccc2ccccc21 ZINC000409213425 560696051 /nfs/dbraw/zinc/69/60/51/560696051.db2.gz UVMZAQJZPFACGL-RWPZCVJISA-N 0 0 403.884 7.270 40 30 HKEBRN Cc1ccc(COc2ccc(Br)cc2/C=N/c2cccc(C)c2C)cc1 ZINC000409213428 559021220 /nfs/dbraw/zinc/02/12/20/559021220.db2.gz UZQRNLDMQBXBDT-AFUMVMLFSA-N 0 0 408.339 6.704 40 30 HKEBRN CCOc1cc(/C=N/c2ccc(C)cc2C)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409213450 559021323 /nfs/dbraw/zinc/02/13/23/559021323.db2.gz VKJYARFGODECMQ-JVWAILMASA-N 0 0 416.521 5.779 40 30 HKEBRN Cc1ccc(Cl)cc1/N=C\c1cccc(OCc2ccc(Cl)cc2Cl)c1 ZINC000409213479 559021413 /nfs/dbraw/zinc/02/14/13/559021413.db2.gz VYVGQQYLMOYVSI-ROTLSHHCSA-N 0 0 404.724 7.285 40 30 HKEBRN CC(C)/N=C1\S/C(=C/c2cccc(OCc3ccccc3F)c2)C(=O)N1C(C)C ZINC000409213495 560696092 /nfs/dbraw/zinc/69/60/92/560696092.db2.gz PFMQLKSHDGEJNJ-RRJMXWIWSA-N 0 0 412.530 5.494 40 30 HKEBRN CCc1ccc(/N=C/c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)cc1 ZINC000409213520 559021397 /nfs/dbraw/zinc/02/13/97/559021397.db2.gz POBFFLKGLYPALW-LGJNPRDNSA-N 0 0 402.296 7.025 40 30 HKEBRN CC(C)/N=C1\S/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)C(=O)N1C(C)C ZINC000409213529 559021380 /nfs/dbraw/zinc/02/13/80/559021380.db2.gz POWBDTSPGODMQK-HPGAWOKTSA-N 0 0 423.365 6.343 40 30 HKEBRN CCOc1cc(/C=N/c2ccc(CC)cc2)ccc1OCC(=O)Nc1ccccc1 ZINC000409213577 559021412 /nfs/dbraw/zinc/02/14/12/559021412.db2.gz PWBKAUULPPDVIU-YZSQISJMSA-N 0 0 402.494 5.416 40 30 HKEBRN Cc1ccccc1/N=C/c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1 ZINC000409213598 559021402 /nfs/dbraw/zinc/02/14/02/559021402.db2.gz UMZQOUUUNLQYJK-WYMPLXKRSA-N 0 0 415.276 6.540 40 30 HKEBRN C=CCOc1c(Br)cc(/C=N/c2cc(Cl)ccc2C)cc1OCC ZINC000409213619 559021403 /nfs/dbraw/zinc/02/14/03/559021403.db2.gz PZPZIXNYRICOPO-WSDLNYQXSA-N 0 0 408.723 6.125 40 30 HKEBRN COc1cc(/C=N/c2ccccc2C)ccc1OCc1ccc(Br)cc1 ZINC000409213651 559021400 /nfs/dbraw/zinc/02/14/00/559021400.db2.gz VFTRGYPRYMDASR-ZVHZXABRSA-N 0 0 410.311 6.096 40 30 HKEBRN CC(C)/N=C1\S/C(=C/c2ccc(OCc3cccc(F)c3)cc2)C(=O)N1C(C)C ZINC000409213655 559021562 /nfs/dbraw/zinc/02/15/62/559021562.db2.gz QDNPFPBGIZNFPJ-RRJMXWIWSA-N 0 0 412.530 5.494 40 30 HKEBRN Cc1ccc(Cl)cc1/N=C/c1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1 ZINC000409213665 559021541 /nfs/dbraw/zinc/02/15/41/559021541.db2.gz VGZYLWCRCKAKBV-KBKYJPHKSA-N 0 0 422.714 7.424 40 30 HKEBRN COc1ccc(/N=C/c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)cc1 ZINC000409213668 559021511 /nfs/dbraw/zinc/02/15/11/559021511.db2.gz UIIHYMJJKKAFEN-BRJLIKDPSA-N 0 0 420.723 6.985 40 30 HKEBRN Cc1ccc(/N=C/c2cc(Cl)ccc2OCc2cccc3ccccc32)cc1Cl ZINC000409213682 559021508 /nfs/dbraw/zinc/02/15/08/559021508.db2.gz QGYPBDOCCSHLEY-RWPZCVJISA-N 0 0 420.339 7.785 40 30 HKEBRN Cc1ccc(COc2ccc(/C=N/c3ccc(C)cc3C)cc2Br)cc1 ZINC000409213694 560696175 /nfs/dbraw/zinc/69/61/75/560696175.db2.gz VJFPTFJYZJCMSE-AFUMVMLFSA-N 0 0 408.339 6.704 40 30 HKEBRN Cc1ccc(/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)cc1 ZINC000409213710 560696197 /nfs/dbraw/zinc/69/61/97/560696197.db2.gz VKYPLQCDHUSXCN-BRJLIKDPSA-N 0 0 404.724 7.285 40 30 HKEBRN COc1cc(/C=N/c2ccc(C)c(C)c2)cc(Cl)c1OCc1ccccc1Cl ZINC000409213711 560696185 /nfs/dbraw/zinc/69/61/85/560696185.db2.gz VADIOROILMFMLP-LGJNPRDNSA-N 0 0 414.332 6.948 40 30 HKEBRN Cc1ccc(/N=C/c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc32)c(C)c1 ZINC000409213720 560696177 /nfs/dbraw/zinc/69/61/77/560696177.db2.gz VANWDBKYLXKIIS-JVWAILMASA-N 0 0 410.473 6.694 40 30 HKEBRN Cc1ccc(C)c(/N=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 ZINC000409213727 559021546 /nfs/dbraw/zinc/02/15/46/559021546.db2.gz SSTOUIAOXYBWGX-LGJNPRDNSA-N 0 0 414.383 6.773 40 30 HKEBRN COc1cc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)ccc1OCC(C)C ZINC000409213749 559021564 /nfs/dbraw/zinc/02/15/64/559021564.db2.gz UNIFTTHJIJRMBQ-BLNASNEQSA-N 0 0 424.610 6.565 40 30 HKEBRN Cc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)c(C)n1-c1ccccc1Cl ZINC000409213753 560696169 /nfs/dbraw/zinc/69/61/69/560696169.db2.gz QREJYPTZWQNDNN-SCTUZPNZSA-N 0 0 415.990 5.837 40 30 HKEBRN COc1cc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)ccc1OCC(C)C ZINC000409213754 559021534 /nfs/dbraw/zinc/02/15/34/559021534.db2.gz UNIFTTHJIJRMBQ-JYSLEBDSSA-N 0 0 424.610 6.565 40 30 HKEBRN COc1ccc(/N=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)cc1 ZINC000409213786 560696183 /nfs/dbraw/zinc/69/61/83/560696183.db2.gz QVIKSRIMDBAARG-DHRITJCHSA-N 0 0 416.355 6.165 40 30 HKEBRN Cc1ccc(Cl)cc1/N=C\c1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC000409213796 559021556 /nfs/dbraw/zinc/02/15/56/559021556.db2.gz QWSFVKUEIWQTBY-UUYOSTAYSA-N 0 0 411.801 6.008 40 30 HKEBRN Cc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)c(C)n1-c1ccc(C)cc1C ZINC000409213805 559021560 /nfs/dbraw/zinc/02/15/60/559021560.db2.gz VGIPVDMBFCDOLF-HTQRFZLASA-N 0 0 409.599 5.800 40 30 HKEBRN Cc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2/C=N/c2cccc(C)c2C)cc1 ZINC000409213824 559021513 /nfs/dbraw/zinc/02/15/13/559021513.db2.gz VSSPRQXCBQTYJF-ZVHZXABRSA-N 0 0 413.926 5.784 40 30 HKEBRN CC(C)/N=C1\S/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)C(=O)N1C(C)C ZINC000409213864 559021543 /nfs/dbraw/zinc/02/15/43/559021543.db2.gz VLHNVAFQXPSWIP-ZGNGNRKCSA-N 0 0 423.365 6.343 40 30 HKEBRN CCOc1ccc(/N=C/c2cc(Cl)ccc2OCc2cccc3ccccc32)cc1 ZINC000409213883 559021518 /nfs/dbraw/zinc/02/15/18/559021518.db2.gz VBASEOKDXYUUJL-OGLMXYFKSA-N 0 0 415.920 7.222 40 30 HKEBRN CCOc1ccc(/N=C/c2ccccc2OCC(=O)Nc2ccc(C)c(Cl)c2)cc1 ZINC000409213916 559021558 /nfs/dbraw/zinc/02/15/58/559021558.db2.gz VHWSQPUKJBQYIR-CVKSISIWSA-N 0 0 422.912 5.815 40 30 HKEBRN Cc1ccc(/N=C/c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)cc1C ZINC000409213938 559021523 /nfs/dbraw/zinc/02/15/23/559021523.db2.gz UNXRBNRKCNRNKP-RPPGKUMJSA-N 0 0 418.751 7.593 40 30 HKEBRN Cc1ccccc1/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Cl)c1 ZINC000409213964 559021520 /nfs/dbraw/zinc/02/15/20/559021520.db2.gz VOTOPECOGJHIQC-WSDLNYQXSA-N 0 0 411.801 6.008 40 30 HKEBRN COc1cc(/C=N/c2ccc(C)c(Cl)c2)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409213981 559021536 /nfs/dbraw/zinc/02/15/36/559021536.db2.gz VTBLOELTDAUCJZ-VULFUBBASA-N 0 0 422.912 5.734 40 30 HKEBRN COc1cc(/C=N/c2cccc(Cl)c2C)ccc1OCc1cccc2ccccc21 ZINC000409213993 559021528 /nfs/dbraw/zinc/02/15/28/559021528.db2.gz WEFUPGVLHZSXNC-LQKURTRISA-N 0 0 415.920 7.140 40 30 HKEBRN COc1ccc(/N=C/c2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)cc1 ZINC000409214036 560696304 /nfs/dbraw/zinc/69/63/04/560696304.db2.gz XBYUMRFCYSAAPD-BRJLIKDPSA-N 0 0 420.723 6.985 40 30 HKEBRN CC(C)/N=C1\S/C(=C/c2ccc(Sc3ccc(Cl)cc3)o2)C(=O)N1C(C)C ZINC000409214042 559021325 /nfs/dbraw/zinc/02/13/25/559021325.db2.gz XDZMYOGUXNVKET-SLHJDRLVSA-N 0 0 420.987 6.173 40 30 HKEBRN Clc1ccc(COc2ccc3ccccc3c2/C=N/c2ccccc2)c(Cl)c1 ZINC000409214048 560696270 /nfs/dbraw/zinc/69/62/70/560696270.db2.gz XGGPNAPGDMRNRT-JFLMPSFJSA-N 0 0 406.312 7.476 40 30 HKEBRN CCc1ccc(/N=C\c2cccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c2)cc1 ZINC000409214063 560696301 /nfs/dbraw/zinc/69/63/01/560696301.db2.gz XKXKJNHALNJDCG-YSMPRRRNSA-N 0 0 406.913 5.979 40 30 HKEBRN CCCOc1c(Br)cc(/C=N/c2cccc(Cl)c2C)cc1OCC ZINC000409214065 560696259 /nfs/dbraw/zinc/69/62/59/560696259.db2.gz XMLQIXWCUIGAEN-WSDLNYQXSA-N 0 0 410.739 6.349 40 30 HKEBRN CCCOc1c(I)cc(/C=N/c2ccc(C)c(C)c2)cc1OC ZINC000409214122 559021332 /nfs/dbraw/zinc/02/13/32/559021332.db2.gz WEKWDLPWTNZFFZ-CIAFOILYSA-N 0 0 423.294 5.456 40 30 HKEBRN CCN1C2=C(C(=O)CC(C)(C)C2)C(c2ccc([N+](=O)[O-])cc2)C2=C1CC(C)(C)CC2=O ZINC000409214127 560696271 /nfs/dbraw/zinc/69/62/71/560696271.db2.gz RHJVLNKRMWNTEV-UHFFFAOYSA-N 0 0 422.525 5.300 40 30 HKEBRN C#CCOc1c(Br)cc(/C=N/c2ccc(OCC)cc2)cc1OCC ZINC000409214140 560696310 /nfs/dbraw/zinc/69/63/10/560696310.db2.gz RIVPLDWATGYGLG-HYARGMPZSA-N 0 0 402.288 5.009 40 30 HKEBRN Cc1cc(/C=N/c2ccc(Oc3ccc(C)cc3)cc2)c(C)n1NC(=O)c1ccccc1 ZINC000409214156 560696419 /nfs/dbraw/zinc/69/64/19/560696419.db2.gz WAMBIUFJDCCHAI-MTDXEUNCSA-N 0 0 423.516 6.340 40 30 HKEBRN CCOc1cc(/C=N/c2ccccc2C)cc(Br)c1OCc1ccccc1 ZINC000409214159 559021291 /nfs/dbraw/zinc/02/12/91/559021291.db2.gz WIBGXNICECFLFO-MFKUBSTISA-N 0 0 424.338 6.486 40 30 HKEBRN COc1cc(/C=N/c2cc(Cl)ccc2C)ccc1OCc1ccc(Cl)cc1 ZINC000409214187 560696373 /nfs/dbraw/zinc/69/63/73/560696373.db2.gz WEQGTEDOTWEVCX-DHRITJCHSA-N 0 0 400.305 6.640 40 30 HKEBRN Cc1ccc(/N=C/c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)c(Cl)c2)cc1 ZINC000409214191 560696431 /nfs/dbraw/zinc/69/64/31/560696431.db2.gz WEQLUZAWFIITEH-YDZHTSKRSA-N 0 0 420.317 5.820 40 30 HKEBRN CCc1ccc(/N=C/c2ccc(OS(=O)(=O)c3ccc(C)cc3)c(OC)c2)cc1 ZINC000409214203 559021321 /nfs/dbraw/zinc/02/13/21/559021321.db2.gz WFXUZUWNUXAEKS-LFVJCYFKSA-N 0 0 409.507 5.084 40 30 HKEBRN Cc1ccccc1/N=C/c1c(OS(=O)(=O)c2ccccc2)ccc2ccccc21 ZINC000409214227 560696393 /nfs/dbraw/zinc/69/63/93/560696393.db2.gz WGLNJPMMBKKYPN-KOEQRZSOSA-N 0 0 401.487 5.667 40 30 HKEBRN CCOc1ccc(/N=C/c2ccc(OCc3cccc4ccccc43)c(Cl)c2)cc1 ZINC000409214241 559021344 /nfs/dbraw/zinc/02/13/44/559021344.db2.gz XAKMTKXLAIBZEM-OGLMXYFKSA-N 0 0 415.920 7.222 40 30 HKEBRN Cc1ccc(C)c(/N=C\c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)c1 ZINC000409214252 560696381 /nfs/dbraw/zinc/69/63/81/560696381.db2.gz XBUNUKDKMLLCHA-ZMFRSBBQSA-N 0 0 414.383 6.773 40 30 HKEBRN CCOc1cc(/C=N/c2ccccc2C)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000409214258 560696421 /nfs/dbraw/zinc/69/64/21/560696421.db2.gz WSTOVXHLUSZXLE-VULFUBBASA-N 0 0 414.332 7.030 40 30 HKEBRN CCOc1cc(/C=N/c2cccc(Cl)c2C)cc(I)c1O ZINC000409214293 559021346 /nfs/dbraw/zinc/02/13/46/559021346.db2.gz XFVRTNMDWKGEQJ-DJKKODMXSA-N 0 0 415.658 5.108 40 30 HKEBRN Cc1c(Cl)cccc1/N=C/c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000409214299 560696410 /nfs/dbraw/zinc/69/64/10/560696410.db2.gz WPJXKRUPIYWKIB-YDZHTSKRSA-N 0 0 420.317 5.820 40 30 HKEBRN COc1cc(/C=N/c2cccc(Cl)c2C)ccc1OCC(=O)Nc1ccccc1 ZINC000409214302 559021308 /nfs/dbraw/zinc/02/13/08/559021308.db2.gz WTBZEBAXNPZDER-AFUMVMLFSA-N 0 0 408.885 5.425 40 30 HKEBRN CCc1ccc(/N=C/c2cc(Cl)c(OCc3cccc(Cl)c3)c(OC)c2)cc1 ZINC000409214309 559021377 /nfs/dbraw/zinc/02/13/77/559021377.db2.gz WTNFOQPTLWSOBN-VULFUBBASA-N 0 0 414.332 6.894 40 30 HKEBRN CCOc1cc(/C=N/c2ccc(C)cc2)cc(Cl)c1OCc1cccc(Cl)c1 ZINC000409214332 560696363 /nfs/dbraw/zinc/69/63/63/560696363.db2.gz XMLNTHWKQRJGFU-VULFUBBASA-N 0 0 414.332 7.030 40 30 HKEBRN CCOc1cc(/C=N/c2ccc(OC)cc2)ccc1OCc1cccc2ccccc21 ZINC000409214335 560696376 /nfs/dbraw/zinc/69/63/76/560696376.db2.gz XMQAAQKFNWPZPJ-MTDXEUNCSA-N 0 0 411.501 6.577 40 30 HKEBRN COc1cc(/C=N/c2cc(C)ccc2C)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409214338 559021372 /nfs/dbraw/zinc/02/13/72/559021372.db2.gz XMVQRLUTOKCGDL-CVKSISIWSA-N 0 0 402.494 5.389 40 30 HKEBRN Cc1c(Cl)cccc1/N=C/c1cc(Cl)ccc1OCc1ccccc1Cl ZINC000409214345 559021408 /nfs/dbraw/zinc/02/14/08/559021408.db2.gz SQCZODZEBZVTHM-BRJLIKDPSA-N 0 0 404.724 7.285 40 30 HKEBRN Cc1ccc(Cl)cc1/N=C/c1ccccc1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409214348 559021371 /nfs/dbraw/zinc/02/13/71/559021371.db2.gz SQNRCUUICMLYGE-YDZHTSKRSA-N 0 0 420.317 5.820 40 30 HKEBRN C=CCOc1ccc(Br)cc1/C=N/c1ccc(Oc2ccccc2)cc1 ZINC000409214362 559021376 /nfs/dbraw/zinc/02/13/76/559021376.db2.gz XCQQIFHTUFJGDV-LFVJCYFKSA-N 0 0 408.295 6.557 40 30 HKEBRN CCOc1ccc(/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OCC)c2)cc1 ZINC000409214368 559021382 /nfs/dbraw/zinc/02/13/82/559021382.db2.gz UUCZYIPNNGPUKP-PCLIKHOPSA-N 0 0 420.465 5.722 40 30 HKEBRN CCOc1cc(/C=N/c2ccc(CC)cc2)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409214376 560696360 /nfs/dbraw/zinc/69/63/60/560696360.db2.gz XRXJOVFYFMCRGL-WPWMEQJKSA-N 0 0 416.521 5.724 40 30 HKEBRN COc1cc(/C=N/c2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000409214386 560696399 /nfs/dbraw/zinc/69/63/99/560696399.db2.gz XGMLZNSTWRQOMG-BRJLIKDPSA-N 0 0 420.723 6.985 40 30 HKEBRN CCOc1cc(/C=N/c2ccc(C)cc2C)cc(I)c1OCC ZINC000409214395 560696404 /nfs/dbraw/zinc/69/64/04/560696404.db2.gz XFWHTTLUSBBTOR-CIAFOILYSA-N 0 0 423.294 5.456 40 30 HKEBRN CCOc1c(I)cc(/C=N/c2ccc(C)c(C)c2)cc1OC ZINC000409214398 560696439 /nfs/dbraw/zinc/69/64/39/560696439.db2.gz XGFRIAZXOMNNMA-RGVLZGJSSA-N 0 0 409.267 5.066 40 30 HKEBRN COc1cc(/C=N/c2ccccc2)cc(Cl)c1OCc1cccc2ccccc21 ZINC000409214410 559021378 /nfs/dbraw/zinc/02/13/78/559021378.db2.gz XIEKPTABTKMDPT-JVWAILMASA-N 0 0 401.893 6.831 40 30 HKEBRN CCOc1cc(/C=N/c2cccc(Cl)c2C)ccc1OCc1ccccc1Cl ZINC000409214413 560696482 /nfs/dbraw/zinc/69/64/82/560696482.db2.gz UXKSDHMGXAYZGV-VULFUBBASA-N 0 0 414.332 7.030 40 30 HKEBRN O=[N+]([O-])c1ccc(COc2ccc(/C=N/c3ccccc3)cc2Br)cc1 ZINC000409214420 559021373 /nfs/dbraw/zinc/02/13/73/559021373.db2.gz XKDZRRIEMQBPKW-LPYMAVHISA-N 0 0 411.255 5.687 40 30 HKEBRN COc1cc(/C=N/c2ccccc2C)cc(Cl)c1OCC(=O)Nc1cccc(C)c1 ZINC000409214424 560696494 /nfs/dbraw/zinc/69/64/94/560696494.db2.gz XKBGYOIXAWMSPS-VULFUBBASA-N 0 0 422.912 5.734 40 30 HKEBRN Cc1ccccc1/N=C/c1ccc(OCC(=O)Nc2ccccc2)c(Br)c1 ZINC000409214473 560696466 /nfs/dbraw/zinc/69/64/66/560696466.db2.gz XXKJFABUHFSQSQ-ZVHZXABRSA-N 0 0 423.310 5.526 40 30 HKEBRN Cc1cccc(COc2ccc(/C=C3/S/C(=N\C(C)C)N(C(C)C)C3=O)cc2)c1 ZINC000409214488 559021370 /nfs/dbraw/zinc/02/13/70/559021370.db2.gz VLXWUWDWCPEQCF-QMSJJHEMSA-N 0 0 408.567 5.663 40 30 HKEBRN CCc1ccc(/N=C/c2cc(Br)ccc2OCc2ccc(F)cc2)cc1 ZINC000409214491 559021374 /nfs/dbraw/zinc/02/13/74/559021374.db2.gz XTIZJXKTSVRAFH-AFUMVMLFSA-N 0 0 412.302 6.480 40 30 HKEBRN C=CCOc1c(Cl)cc(/C=N/c2ccc(Oc3ccccc3)cc2)cc1OCC ZINC000409214517 559021311 /nfs/dbraw/zinc/02/13/11/559021311.db2.gz VOJUYCPPDKNXLH-YZSQISJMSA-N 0 0 407.897 6.846 40 30 HKEBRN COc1ccc(/N=C/c2cc(Cl)c(OCc3cccc(Cl)c3)c(Cl)c2)cc1 ZINC000409214542 560696468 /nfs/dbraw/zinc/69/64/68/560696468.db2.gz VVGDHWYRXYFCRI-BRJLIKDPSA-N 0 0 420.723 6.985 40 30 HKEBRN Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/c3ccc(C)c(C)c3)cc2Cl)cc1 ZINC000409214555 560696445 /nfs/dbraw/zinc/69/64/45/560696445.db2.gz YDVKPKJWNSQZSR-ZVHZXABRSA-N 0 0 413.926 5.784 40 30 HKEBRN Cc1ccc(/N=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)cc1Cl ZINC000409214578 560696460 /nfs/dbraw/zinc/69/64/60/560696460.db2.gz YIGGGSDDJJOPHY-WSDLNYQXSA-N 0 0 411.801 6.008 40 30 HKEBRN Cc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)c(C)n1-c1ccc(C)c(C)c1 ZINC000409214580 559021909 /nfs/dbraw/zinc/02/19/09/559021909.db2.gz YIJPLRTTZVFDST-HTQRFZLASA-N 0 0 409.599 5.800 40 30 HKEBRN COc1cc(/C=N/c2ccc(C)c(Cl)c2)cc(Cl)c1OCc1ccccc1 ZINC000409214624 559021893 /nfs/dbraw/zinc/02/18/93/559021893.db2.gz WNNGZODCRCOLLY-DHRITJCHSA-N 0 0 400.305 6.640 40 30 HKEBRN CCOc1cc(/C=N/c2cc(Cl)ccc2C)ccc1OCc1cccc(Cl)c1 ZINC000409214672 560696586 /nfs/dbraw/zinc/69/65/86/560696586.db2.gz ZPGQPIBOERJKKU-VULFUBBASA-N 0 0 414.332 7.030 40 30 HKEBRN Cc1ccc(/N=C/c2ccc(OCc3cccc(F)c3)c(Br)c2)c(C)c1 ZINC000409214677 559021887 /nfs/dbraw/zinc/02/18/87/559021887.db2.gz ZRLUMKGYVVBLTB-DHRITJCHSA-N 0 0 412.302 6.535 40 30 HKEBRN CCOc1ccc(/N=C/c2ccc(OCc3ccccc3Cl)c(OCC)c2)cc1 ZINC000409214679 559021922 /nfs/dbraw/zinc/02/19/22/559021922.db2.gz ZTDRZLFFGUJILY-WGOQTCKBSA-N 0 0 409.913 6.467 40 30 HKEBRN COc1ccc(/N=C/c2ccc(OS(=O)(=O)c3ccc(C)cc3)c(Cl)c2)cc1 ZINC000409214727 560696568 /nfs/dbraw/zinc/69/65/68/560696568.db2.gz YHIWHUVMWSOQOY-OEAKJJBVSA-N 0 0 415.898 5.175 40 30 HKEBRN CC(C)/N=C1\S/C(=C/c2cn(Cc3ccccc3)c3ccccc23)C(=O)N1C(C)C ZINC000409214738 559021883 /nfs/dbraw/zinc/02/18/83/559021883.db2.gz TXZDIGHTACYHNA-WRIATZMJSA-N 0 0 417.578 5.779 40 30 HKEBRN Cc1c(Cl)cccc1/N=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1 ZINC000409214749 559021926 /nfs/dbraw/zinc/02/19/26/559021926.db2.gz UCDQBOGEDCPJPV-BRJLIKDPSA-N 0 0 404.724 7.285 40 30 HKEBRN CCCOc1c(Br)cc(/C=N/c2cc(Cl)ccc2C)cc1OCC ZINC000409214782 560696611 /nfs/dbraw/zinc/69/66/11/560696611.db2.gz UMJRXRYGZVVBBS-WSDLNYQXSA-N 0 0 410.739 6.349 40 30 HKEBRN Cc1ccc(C)c(/N=C/c2cc(Br)ccc2OCc2ccc(F)cc2)c1 ZINC000409214794 559021526 /nfs/dbraw/zinc/02/15/26/559021526.db2.gz YWBPMLDNOYMCJM-DHRITJCHSA-N 0 0 412.302 6.535 40 30 HKEBRN CCc1ccc(/N=C/c2cc(Cl)c(OCc3ccccc3Cl)c(OC)c2)cc1 ZINC000409214796 560696626 /nfs/dbraw/zinc/69/66/26/560696626.db2.gz UOZLQIDYKQGDNV-VULFUBBASA-N 0 0 414.332 6.894 40 30 HKEBRN Cc1c(Cl)cccc1/N=C\c1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC000409214816 559021483 /nfs/dbraw/zinc/02/14/83/559021483.db2.gz YJIIBRBHMSSBFM-UUYOSTAYSA-N 0 0 411.801 6.008 40 30 HKEBRN CC(C)/N=C1\S/C(=C/c2cccc(OCc3ccc(F)cc3)c2)C(=O)N1C(C)C ZINC000409214843 560696713 /nfs/dbraw/zinc/69/67/13/560696713.db2.gz YNAGNXLSIHJJQI-RRJMXWIWSA-N 0 0 412.530 5.494 40 30 HKEBRN C=CCOc1c(I)cc(/C=N/c2ccc(C)cc2)cc1OCC ZINC000409214937 559021608 /nfs/dbraw/zinc/02/16/08/559021608.db2.gz YQPOFZYGYAJYER-FYJGNVAPSA-N 0 0 421.278 5.314 40 30 HKEBRN CCCOc1c(I)cc(/C=N/c2ccccc2C)cc1OCC ZINC000409214946 560696692 /nfs/dbraw/zinc/69/66/92/560696692.db2.gz YUBPLFBXMMSZAB-FYJGNVAPSA-N 0 0 423.294 5.538 40 30 HKEBRN CCc1ccc(/N=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)cc1 ZINC000409214999 560696686 /nfs/dbraw/zinc/69/66/86/560696686.db2.gz ZDBTZKCLGYDICY-OEAKJJBVSA-N 0 0 421.409 5.617 40 30 HKEBRN Cc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2/C=N/c2ccc(C)cc2C)cc1 ZINC000409215010 559021604 /nfs/dbraw/zinc/02/16/04/559021604.db2.gz ZEFASLUBEZRHGW-ZVHZXABRSA-N 0 0 413.926 5.784 40 30 HKEBRN O=C(COc1ccc(Br)cc1/C=N/c1ccccc1)Nc1ccccc1 ZINC000409215017 560696712 /nfs/dbraw/zinc/69/67/12/560696712.db2.gz ZFTPIEBFYOJYCS-OEAKJJBVSA-N 0 0 409.283 5.217 40 30 HKEBRN C=CCOc1c(Br)cc(Br)cc1/C=N/c1ccc(C)cc1 ZINC000409215046 559021605 /nfs/dbraw/zinc/02/16/05/559021605.db2.gz ZHSFXFINXDJWNS-RGVLZGJSSA-N 0 0 409.121 5.835 40 30 HKEBRN C=CCOc1c(I)cc(/C=N/c2ccccc2C)cc1OCC ZINC000409215057 560696687 /nfs/dbraw/zinc/69/66/87/560696687.db2.gz ZLZUDLZCRSBFKO-FYJGNVAPSA-N 0 0 421.278 5.314 40 30 HKEBRN Cc1ccccc1/N=C\c1cccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 ZINC000409215062 560696701 /nfs/dbraw/zinc/69/67/01/560696701.db2.gz ZNOPNUULNCKJEN-MXAYSNPKSA-N 0 0 400.356 6.465 40 30 HKEBRN CCOc1ccc(/N=C/c2cc(Br)c(OC)c(Br)c2)cc1 ZINC000409215078 559021636 /nfs/dbraw/zinc/02/16/36/559021636.db2.gz ZLXRYOANAKIPMV-VXLYETTFSA-N 0 0 413.109 5.370 40 30 HKEBRN Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\S/C(=N\C(C)C)N(C(C)C)C2=O)o1 ZINC000409215118 559021641 /nfs/dbraw/zinc/02/16/41/559021641.db2.gz ZZBCSBZXUBFRKP-XCIVBZDSSA-N 0 0 413.499 5.252 40 30 HKEBRN COc1cc(/C=N/c2ccc(C)cc2C)ccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000409215130 560696758 /nfs/dbraw/zinc/69/67/58/560696758.db2.gz WVDXFQQQHMDFBK-BUVRLJJBSA-N 0 0 409.507 5.139 40 30 HKEBRN COc1cc(/C=N/c2cccc(C)c2C)ccc1OCc1ccc(Br)cc1 ZINC000409215132 560696767 /nfs/dbraw/zinc/69/67/67/560696767.db2.gz WWFICHFJNIZZEJ-AFUMVMLFSA-N 0 0 424.338 6.404 40 30 HKEBRN Cc1ccc(/N=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)c(C)c1 ZINC000409215137 559021628 /nfs/dbraw/zinc/02/16/28/559021628.db2.gz XDXHEQNOZRVSAP-RPPGKUMJSA-N 0 0 418.751 7.593 40 30 HKEBRN CCOc1ccc(/N=C/c2ccc(OCc3ccc(C)cc3)c(Br)c2)cc1 ZINC000409215161 559021625 /nfs/dbraw/zinc/02/16/25/559021625.db2.gz XPLMLWYXSLSCDI-MFKUBSTISA-N 0 0 424.338 6.486 40 30 HKEBRN CCOc1ccc(/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1 ZINC000409215197 559021623 /nfs/dbraw/zinc/02/16/23/559021623.db2.gz YJQKCGQGVQFZAA-BUVRLJJBSA-N 0 0 406.438 5.332 40 30 HKEBRN COc1cc(/C=N/c2ccccc2)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409215198 560696778 /nfs/dbraw/zinc/69/67/78/560696778.db2.gz YJWGRWHVBOLJFR-AFUMVMLFSA-N 0 0 408.885 5.425 40 30 HKEBRN COc1c(Br)cc(/C=N/c2cc(Cl)ccc2C)cc1Br ZINC000409215207 559021614 /nfs/dbraw/zinc/02/16/14/559021614.db2.gz YMZVCAQGZNHCOV-UFWORHAWSA-N 0 0 417.528 5.933 40 30 HKEBRN Cc1ccc(/N=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Cl)c2)cc1 ZINC000409215219 560696765 /nfs/dbraw/zinc/69/67/65/560696765.db2.gz YXGBCHBODHWJGU-WSDLNYQXSA-N 0 0 411.801 6.008 40 30 HKEBRN CCOc1cc(/C=N/c2ccc(C)c(C)c2)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409215224 559021634 /nfs/dbraw/zinc/02/16/34/559021634.db2.gz YYJMVBCVJPFNHW-JVWAILMASA-N 0 0 416.521 5.779 40 30 HKEBRN Cc1ccc(C)c(/N=C/c2c(OS(=O)(=O)c3ccccc3)ccc3ccccc32)c1 ZINC000409215242 560696769 /nfs/dbraw/zinc/69/67/69/560696769.db2.gz VYAYXQCNGZZJSD-YZSQISJMSA-N 0 0 415.514 5.975 40 30 HKEBRN Cc1ccc(/N=C/c2cc(Cl)c(OCc3cccc4ccccc43)c(Cl)c2)cc1 ZINC000409215270 559021848 /nfs/dbraw/zinc/02/18/48/559021848.db2.gz WMLHMUKJTJUFPI-RWPZCVJISA-N 0 0 420.339 7.785 40 30 HKEBRN Cc1ccc(/N=C/c2ccc(OCc3ccccc3F)c(Br)c2)c(C)c1 ZINC000409215302 560696754 /nfs/dbraw/zinc/69/67/54/560696754.db2.gz XCBCELBONQICRX-DHRITJCHSA-N 0 0 412.302 6.535 40 30 HKEBRN Clc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)ccc1OCc1ccccc1 ZINC000409215332 559021885 /nfs/dbraw/zinc/02/18/85/559021885.db2.gz ZBWKHQJJUKXIFU-MTDXEUNCSA-N 0 0 413.904 7.462 40 30 HKEBRN C#CCOc1c(Br)cc(/C=N/c2ccc(C)cc2)cc1Br ZINC000409215341 560696920 /nfs/dbraw/zinc/69/69/20/560696920.db2.gz ZIFFULMTPXNUIF-RGVLZGJSSA-N 0 0 407.105 5.283 40 30 HKEBRN COc1cc(/C=N/c2ccccc2)cc(Br)c1OCc1ccc(F)cc1 ZINC000409215352 560696911 /nfs/dbraw/zinc/69/69/11/560696911.db2.gz ZMCQOKLYRMPDTC-ZMOGYAJESA-N 0 0 414.274 5.926 40 30 HKEBRN O=S(=O)(Oc1ccc(/C=N/c2ccccc2)cc1Cl)c1ccc(Cl)cc1 ZINC000409215355 559021956 /nfs/dbraw/zinc/02/19/56/559021956.db2.gz ZNUGZDMQNCMIIO-LPYMAVHISA-N 0 0 406.290 5.512 40 30 HKEBRN COc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)ccc1OCc1ccccc1 ZINC000409215374 560696961 /nfs/dbraw/zinc/69/69/61/560696961.db2.gz ZWURVHDPIILYFA-QMSJJHEMSA-N 0 0 424.566 5.363 40 30 HKEBRN COc1ccc(/N=C/c2ccc(OCc3cccc4ccccc43)c(Cl)c2)cc1 ZINC000409215375 559021890 /nfs/dbraw/zinc/02/18/90/559021890.db2.gz ZXBNYSNFTBSLNR-JVWAILMASA-N 0 0 401.893 6.831 40 30 HKEBRN CC(C)/N=C1\S/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(=O)N1C(C)C ZINC000409215443 560696942 /nfs/dbraw/zinc/69/69/42/560696942.db2.gz YVBISTUPMLKETD-ZGNGNRKCSA-N 0 0 423.365 6.343 40 30 HKEBRN Cc1c(Cl)cccc1/N=C\c1cccc(OCc2ccc(Br)cc2)c1 ZINC000409215447 560696967 /nfs/dbraw/zinc/69/69/67/560696967.db2.gz YWTZYIFUISNOLN-CFRMEGHHSA-N 0 0 414.730 6.741 40 30 HKEBRN C#CCOc1c(Br)cc(/C=N/c2ccc(C)c(C)c2)cc1Br ZINC000409215454 560696930 /nfs/dbraw/zinc/69/69/30/560696930.db2.gz ZDFYZOIEUAMKDG-SRZZPIQSSA-N 0 0 421.132 5.591 40 30 HKEBRN Cc1ccc(Cl)cc1/N=C/c1cc(Cl)ccc1OCc1ccccc1Cl ZINC000409215467 560696922 /nfs/dbraw/zinc/69/69/22/560696922.db2.gz ZJYHTNRDLFDDFT-BRJLIKDPSA-N 0 0 404.724 7.285 40 30 HKEBRN N#Cc1ccccc1-c1ccc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)o1 ZINC000409215472 559022027 /nfs/dbraw/zinc/02/20/27/559022027.db2.gz ZOLVNYQCUDBDNU-YBFXNURJSA-N 0 0 406.850 5.713 40 30 HKEBRN COc1cc(/C=N/c2cccc(C)c2C)ccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000409215500 559022131 /nfs/dbraw/zinc/02/21/31/559022131.db2.gz AAMIQBSTAJXZOU-BUVRLJJBSA-N 0 0 409.507 5.139 40 30 HKEBRN CCOc1cc(/C=N/c2ccccc2)cc(Cl)c1OCc1cccc2ccccc21 ZINC000409215505 559022125 /nfs/dbraw/zinc/02/21/25/559022125.db2.gz ACBZGQQWNPXFLU-OGLMXYFKSA-N 0 0 415.920 7.222 40 30 HKEBRN Cc1ccccc1/N=C/c1cc(Cl)ccc1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409215513 560696925 /nfs/dbraw/zinc/69/69/25/560696925.db2.gz AFOYDXHGGUHPON-YDZHTSKRSA-N 0 0 420.317 5.820 40 30 HKEBRN C#CCOc1c(Br)cc(Br)cc1/C=N/c1ccc(C)cc1C ZINC000409215518 559022150 /nfs/dbraw/zinc/02/21/50/559022150.db2.gz AISAZQIRSDQCPH-SRZZPIQSSA-N 0 0 421.132 5.591 40 30 HKEBRN COc1cc(/C=N/c2ccc(C)cc2C)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409215528 560696956 /nfs/dbraw/zinc/69/69/56/560696956.db2.gz AOTYOBYJGSXYSP-CVKSISIWSA-N 0 0 402.494 5.389 40 30 HKEBRN Cc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)c(C)n1-c1c(C)cc(C)cc1C ZINC000409215529 559022128 /nfs/dbraw/zinc/02/21/28/559022128.db2.gz APFHUXXMGITLME-NAKRTNOJSA-N 0 0 423.626 6.109 40 30 HKEBRN COc1cc(/C=N/c2cccc(C)c2C)cc(Cl)c1OCc1cccc(Cl)c1 ZINC000409215534 560697022 /nfs/dbraw/zinc/69/70/22/560697022.db2.gz ARIMMNYDQMQWLW-LGJNPRDNSA-N 0 0 414.332 6.948 40 30 HKEBRN Cc1ccc(/N=C/c2cc(Br)ccc2OCc2ccc(F)cc2)c(C)c1 ZINC000409215547 559022146 /nfs/dbraw/zinc/02/21/46/559022146.db2.gz AXBFOOGNHJLSKX-DHRITJCHSA-N 0 0 412.302 6.535 40 30 HKEBRN COc1ccc(/N=C/c2c(OCc3ccccc3Cl)ccc3ccccc32)cc1 ZINC000409215549 560696987 /nfs/dbraw/zinc/69/69/87/560696987.db2.gz AZJQYOFMKUCJPN-JVWAILMASA-N 0 0 401.893 6.831 40 30 HKEBRN CCCOc1c(I)cc(/C=N/c2ccc(CC)cc2)cc1OC ZINC000409215556 560696994 /nfs/dbraw/zinc/69/69/94/560696994.db2.gz BDQBVNLLQBJUCP-FYJGNVAPSA-N 0 0 423.294 5.402 40 30 HKEBRN Cc1ccccc1/N=C/c1c(OCc2cccc3ccccc32)ccc2ccccc21 ZINC000409215565 560696982 /nfs/dbraw/zinc/69/69/82/560696982.db2.gz BHDPSSDPMPLSPN-NDZAJKAJSA-N 0 0 401.509 7.631 40 30 HKEBRN Cc1ccc(Sc2ccc(/C=C3/S/C(=N\C(C)C)N(C(C)C)C3=O)o2)cc1 ZINC000409215610 559022190 /nfs/dbraw/zinc/02/21/90/559022190.db2.gz CHGZKNOAGSCVNT-WBCKRXDOSA-N 0 0 400.569 5.828 40 30 HKEBRN Cc1ccc(/N=C/c2ccc(OCc3ccc(F)cc3)c(Br)c2)cc1C ZINC000409215625 559022161 /nfs/dbraw/zinc/02/21/61/559022161.db2.gz CMJIRMWVTHLGSD-DHRITJCHSA-N 0 0 412.302 6.535 40 30 HKEBRN COc1cc(/C=N/c2ccc(C)c(Cl)c2)cc(Cl)c1OCc1ccccc1F ZINC000409215631 560697006 /nfs/dbraw/zinc/69/70/06/560697006.db2.gz CQDVFHPFKKMZLX-RPPGKUMJSA-N 0 0 418.295 6.779 40 30 HKEBRN CCOc1ccc(/N=C/c2cc(Br)ccc2OCc2ccccc2)cc1 ZINC000409215638 559022179 /nfs/dbraw/zinc/02/21/79/559022179.db2.gz CSXOKUTYHKHUTI-BUVRLJJBSA-N 0 0 410.311 6.177 40 30 HKEBRN COc1cc(/C=N/c2ccc(C)c(Cl)c2)cc(I)c1OC ZINC000409215648 559022151 /nfs/dbraw/zinc/02/21/51/559022151.db2.gz CVVGWIBQRLAIBT-DJKKODMXSA-N 0 0 415.658 5.021 40 30 HKEBRN Cc1cccc(/N=C/c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)c1C ZINC000409215682 559022183 /nfs/dbraw/zinc/02/21/83/559022183.db2.gz DKLXJTXGRDCHAA-RPPGKUMJSA-N 0 0 402.296 7.079 40 30 HKEBRN Cc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)c(C)n1-c1c(C)cccc1C ZINC000409215688 559022142 /nfs/dbraw/zinc/02/21/42/559022142.db2.gz DNPPYFGTKREHGS-XHFTXJRRSA-N 0 0 409.599 5.800 40 30 HKEBRN CC(C)/N=C1\S/C(=C/c2cccn2-c2cccc(C(F)(F)F)c2)C(=O)N1C(C)C ZINC000409215689 559022137 /nfs/dbraw/zinc/02/21/37/559022137.db2.gz DNQSLICTXFZVMD-SRZVYZJRSA-N 0 0 421.488 5.585 40 30 HKEBRN COc1ccc(/N=C/c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)cc2)cc1 ZINC000409215695 560696974 /nfs/dbraw/zinc/69/69/74/560696974.db2.gz DQYVDIGMCFGERV-AFUMVMLFSA-N 0 0 408.885 5.425 40 30 HKEBRN Cc1cc(/C=N/c2ccc(Oc3ccccc3C)cc2)c(C)n1NC(=O)c1ccccc1 ZINC000409215700 559022181 /nfs/dbraw/zinc/02/21/81/559022181.db2.gz AALZLSOWBXJGIY-MTDXEUNCSA-N 0 0 423.516 6.340 40 30 HKEBRN Clc1ccccc1COc1cccc(/C=N\c2ccc(Oc3ccccc3)cc2)c1 ZINC000409215707 559022188 /nfs/dbraw/zinc/02/21/88/559022188.db2.gz ADAFMVXBAVBTKJ-VEILYXNESA-N 0 0 413.904 7.462 40 30 HKEBRN CCOc1cc(/C=N/c2ccc(OC)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409215753 560696991 /nfs/dbraw/zinc/69/69/91/560696991.db2.gz DZRTXCQDYALDQC-BUVRLJJBSA-N 0 0 406.438 5.332 40 30 HKEBRN COc1cc(/C=N/c2ccccc2)cc(Br)c1OCc1ccccc1F ZINC000409215775 560696980 /nfs/dbraw/zinc/69/69/80/560696980.db2.gz FDQVPRKGDNEYOK-ZMOGYAJESA-N 0 0 414.274 5.926 40 30 HKEBRN Cc1ccc(C)c(/N=C/c2cc(Cl)c(OCc3cccc(Cl)c3)c(Cl)c2)c1 ZINC000409215783 560696985 /nfs/dbraw/zinc/69/69/85/560696985.db2.gz AUAWLTHRMVULDN-RPPGKUMJSA-N 0 0 418.751 7.593 40 30 HKEBRN CCOc1cc(/C=N/c2ccccc2C)cc(Cl)c1OCC(=O)Nc1ccccc1 ZINC000409215792 560697114 /nfs/dbraw/zinc/69/71/14/560697114.db2.gz AWQULDXSSDZIED-CVKSISIWSA-N 0 0 422.912 5.815 40 30 HKEBRN CCOc1cc(/C=N/c2cc(C)ccc2C)ccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000409215793 559022199 /nfs/dbraw/zinc/02/21/99/559022199.db2.gz FIXPUWSIPDZTFU-PCLIKHOPSA-N 0 0 423.534 5.529 40 30 HKEBRN COc1ccc(/N=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)cc1 ZINC000409215811 559022144 /nfs/dbraw/zinc/02/21/44/559022144.db2.gz BELUGDZALXIAKP-BRJLIKDPSA-N 0 0 420.723 6.985 40 30 HKEBRN C#CCOc1c(Br)cc(/C=N/c2cc(Cl)ccc2C)cc1OCC ZINC000409215824 559022130 /nfs/dbraw/zinc/02/21/30/559022130.db2.gz BKMJBMNGSAPQOS-WSDLNYQXSA-N 0 0 406.707 5.572 40 30 HKEBRN Cc1cccc(NC(=O)COc2ccc(Br)cc2/C=N/c2ccccc2)c1 ZINC000409215875 559022177 /nfs/dbraw/zinc/02/21/77/559022177.db2.gz GACRZDSJWHAOSO-ZVHZXABRSA-N 0 0 423.310 5.526 40 30 HKEBRN Cc1cccc(/N=C/c2c(OCc3cccc4ccccc43)ccc3ccccc32)c1C ZINC000409215886 559022171 /nfs/dbraw/zinc/02/21/71/559022171.db2.gz GDHVXMCYQOXFPS-ZCTHSVRISA-N 0 0 415.536 7.939 40 30 HKEBRN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1ccc(N2CCCC2)cc1 ZINC000409215910 559022286 /nfs/dbraw/zinc/02/22/86/559022286.db2.gz GJNOPHSGPHGYNZ-UHFFFAOYSA-N 0 0 418.581 5.260 40 30 HKEBRN COc1cc(/C=N/c2cccc(C)c2C)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409215913 560697106 /nfs/dbraw/zinc/69/71/06/560697106.db2.gz GJORFBKCVBXQLW-YDZHTSKRSA-N 0 0 421.409 5.671 40 30 HKEBRN CCOc1cc(/C=N/c2cc(C)ccc2C)cc(I)c1OC ZINC000409215934 560697113 /nfs/dbraw/zinc/69/71/13/560697113.db2.gz GSEDPTOQLIOVBK-RGVLZGJSSA-N 0 0 409.267 5.066 40 30 HKEBRN COc1cc(/C=N/c2ccccc2C)ccc1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409215952 559022244 /nfs/dbraw/zinc/02/22/44/559022244.db2.gz GVJFFKOSVLTLMF-OEAKJJBVSA-N 0 0 415.898 5.175 40 30 HKEBRN C=CCOc1ccc(Br)cc1/C=C1\SC(=O)N(CCCCC)C1=O ZINC000409215970 559022239 /nfs/dbraw/zinc/02/22/39/559022239.db2.gz GZBPYCIGYMOBBM-VBKFSLOCSA-N 0 0 410.333 5.240 40 30 HKEBRN COc1ccc(/N=C/c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)cc1 ZINC000409215976 559022246 /nfs/dbraw/zinc/02/22/46/559022246.db2.gz GZRIRTKZYMYPSZ-BRJLIKDPSA-N 0 0 404.268 6.471 40 30 HKEBRN COc1cc(/C=N/c2cccc(Cl)c2C)ccc1OS(=O)(=O)c1ccccc1 ZINC000409215987 560697096 /nfs/dbraw/zinc/69/70/96/560697096.db2.gz CTJQCKDNAYEVNC-OEAKJJBVSA-N 0 0 415.898 5.175 40 30 HKEBRN CCOc1ccc(/N=C/c2cc(Cl)c(OCc3ccc(C)cc3)c(Cl)c2)cc1 ZINC000409215991 559022240 /nfs/dbraw/zinc/02/22/40/559022240.db2.gz CTZXFMCCUUBOJX-VULFUBBASA-N 0 0 414.332 7.030 40 30 HKEBRN CCOc1ccc(/N=C/c2cc(Br)cc(Br)c2OC)cc1 ZINC000409216066 560697084 /nfs/dbraw/zinc/69/70/84/560697084.db2.gz DQVZGISKVZEWIG-VXLYETTFSA-N 0 0 413.109 5.370 40 30 HKEBRN COc1ccc(/N=C\c2cccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c2)cc1 ZINC000409216074 559022257 /nfs/dbraw/zinc/02/22/57/559022257.db2.gz DSJQDVVGRFIUPH-QFEZKATASA-N 0 0 408.885 5.425 40 30 HKEBRN Cc1ccc(C)c(/N=C/c2cc(Br)ccc2OCc2ccccc2F)c1 ZINC000409216091 560697132 /nfs/dbraw/zinc/69/71/32/560697132.db2.gz HYVLCNBZVDPXPK-DHRITJCHSA-N 0 0 412.302 6.535 40 30 HKEBRN COc1cc(/C=N/c2ccc(C)c(C)c2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409216131 560697214 /nfs/dbraw/zinc/69/72/14/560697214.db2.gz FNZDGPXHYGZSCA-DHRITJCHSA-N 0 0 424.884 6.203 40 30 HKEBRN CCOc1ccc(/N=C/c2cc(Cl)c(OCc3ccc(C)cc3)c(OC)c2)cc1 ZINC000409216143 559022259 /nfs/dbraw/zinc/02/22/59/559022259.db2.gz FQNOCPUQHISENM-CVKSISIWSA-N 0 0 409.913 6.385 40 30 HKEBRN COc1cc(/C=N/c2ccc(C)cc2C)ccc1OCc1ccc(Cl)cc1Cl ZINC000409216147 560697219 /nfs/dbraw/zinc/69/72/19/560697219.db2.gz FREJFUFUFMTLAX-LGJNPRDNSA-N 0 0 414.332 6.948 40 30 HKEBRN CCOc1cc(/C=N/c2ccc(C)cc2)ccc1OCc1ccc(Br)cc1 ZINC000409216149 559022229 /nfs/dbraw/zinc/02/22/29/559022229.db2.gz FRKMMFCMUPUTBD-MFKUBSTISA-N 0 0 424.338 6.486 40 30 HKEBRN Clc1ccc(COc2ccccc2/C=N/c2ccc(Oc3ccccc3)cc2)cc1 ZINC000409216169 560697202 /nfs/dbraw/zinc/69/72/02/560697202.db2.gz IHNCPWHLHNLKOV-MTDXEUNCSA-N 0 0 413.904 7.462 40 30 HKEBRN CCOc1cc(/C=N/c2cc(C)ccc2C)ccc1OS(=O)(=O)c1ccccc1 ZINC000409216170 559022245 /nfs/dbraw/zinc/02/22/45/559022245.db2.gz FWDSJHXURYMUHV-LFVJCYFKSA-N 0 0 409.507 5.220 40 30 HKEBRN CCc1ccc(/N=C/c2c(OCC(=O)Nc3ccccc3)ccc3ccccc32)cc1 ZINC000409216171 560697205 /nfs/dbraw/zinc/69/72/05/560697205.db2.gz IHRIMAMXEDKDRL-MTDXEUNCSA-N 0 0 408.501 6.170 40 30 HKEBRN CCOc1ccc(/N=C/c2ccc(OCC(=O)Nc3ccccc3)c(Cl)c2)cc1 ZINC000409216179 559022441 /nfs/dbraw/zinc/02/24/41/559022441.db2.gz FXTDVQXQXXJQJL-MFKUBSTISA-N 0 0 408.885 5.507 40 30 HKEBRN Cc1ccc(/N=C/c2ccc(OCc3ccc(Br)cc3)c(Cl)c2)cc1 ZINC000409216182 560697191 /nfs/dbraw/zinc/69/71/91/560697191.db2.gz IMJXDWCVIODLGF-ZMOGYAJESA-N 0 0 414.730 6.741 40 30 HKEBRN CN1C2=C(C(=O)CC(C)(C)C2)C(c2cccc3ccccc32)C2=C1CC(C)(C)CC2=O ZINC000409216203 559022455 /nfs/dbraw/zinc/02/24/55/559022455.db2.gz GFEQRKFTFRSROX-UHFFFAOYSA-N 0 0 413.561 6.155 40 30 HKEBRN CCOc1cc(/C=N/c2ccc(OC)cc2)cc(Cl)c1OCc1cccc(F)c1 ZINC000409216216 560697194 /nfs/dbraw/zinc/69/71/94/560697194.db2.gz GFYLROZUVOTSHU-VULFUBBASA-N 0 0 413.876 6.216 40 30 HKEBRN Cc1cccc(/N=C\c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)c1C ZINC000409216221 560697210 /nfs/dbraw/zinc/69/72/10/560697210.db2.gz IWNKBNJLLDQMOH-ZMFRSBBQSA-N 0 0 414.383 6.773 40 30 HKEBRN CCOc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)cc(Cl)c1OCC ZINC000409216241 560697211 /nfs/dbraw/zinc/69/72/11/560697211.db2.gz GNBKGPSNINXVCP-SLHJDRLVSA-N 0 0 410.967 5.227 40 30 HKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(/N=C\c3cccc(Oc4ccccc4)c3)sc2C1 ZINC000409216247 559022387 /nfs/dbraw/zinc/02/23/87/559022387.db2.gz JEMTXFOTOCZICU-BKBIYGFMSA-N 0 0 414.574 7.314 40 30 HKEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(/N=C\c3cccc(Oc4ccccc4)c3)sc2C1 ZINC000409216248 559022385 /nfs/dbraw/zinc/02/23/85/559022385.db2.gz JEMTXFOTOCZICU-JTOGBTRBSA-N 0 0 414.574 7.314 40 30 HKEBRN Cc1ccc(/N=C/c2cc(Br)ccc2OCc2ccccc2F)cc1C ZINC000409216254 559022415 /nfs/dbraw/zinc/02/24/15/559022415.db2.gz GOOMXRYVHVTJOZ-DHRITJCHSA-N 0 0 412.302 6.535 40 30 HKEBRN CCOc1cc(/C=N/c2ccc(C)cc2C)ccc1OS(=O)(=O)c1ccccc1 ZINC000409216262 560697212 /nfs/dbraw/zinc/69/72/12/560697212.db2.gz GSTQSGGUKHMTOO-LFVJCYFKSA-N 0 0 409.507 5.220 40 30 HKEBRN Cc1cccc(NC(=O)COc2ccc(/C=N/c3ccc(C)cc3C)cc2Cl)c1 ZINC000409216307 559022370 /nfs/dbraw/zinc/02/23/70/559022370.db2.gz GVMGFRXDNLUIJN-VULFUBBASA-N 0 0 406.913 6.033 40 30 HKEBRN CCOc1cc(/C=N/c2ccc(C)c(Cl)c2)cc(Cl)c1OCc1ccccc1 ZINC000409216310 560697193 /nfs/dbraw/zinc/69/71/93/560697193.db2.gz GVQNTONCDCLWCE-VULFUBBASA-N 0 0 414.332 7.030 40 30 HKEBRN Cc1ccc(Cl)cc1/N=C/c1ccc(OCc2cccc(Cl)c2)c(Cl)c1 ZINC000409216315 559022420 /nfs/dbraw/zinc/02/24/20/559022420.db2.gz GYMGNJLWGIDKDO-BRJLIKDPSA-N 0 0 404.724 7.285 40 30 HKEBRN CCOc1cc(/C=N/c2ccc(C)cc2C)ccc1OCC(=O)Nc1ccccc1 ZINC000409216330 559022417 /nfs/dbraw/zinc/02/24/17/559022417.db2.gz HGZWBSNEPOYDQW-WGOQTCKBSA-N 0 0 402.494 5.470 40 30 HKEBRN C=CCOc1c(Br)cc(Br)cc1/C=N/c1ccccc1C ZINC000409216337 559022402 /nfs/dbraw/zinc/02/24/02/559022402.db2.gz HKIRNVXEEIHHHE-RGVLZGJSSA-N 0 0 409.121 5.835 40 30 HKEBRN Cc1ccc(Cl)cc1/N=C/c1c(OCc2ccc(F)cc2)ccc2ccccc21 ZINC000409216366 559022439 /nfs/dbraw/zinc/02/24/39/559022439.db2.gz HQNISVILRJWKTF-RWPZCVJISA-N 0 0 403.884 7.270 40 30 HKEBRN CCOc1cc(/C=N/c2ccc(C)c(C)c2)ccc1OS(=O)(=O)c1ccccc1 ZINC000409216370 559022388 /nfs/dbraw/zinc/02/23/88/559022388.db2.gz KLENTIVXWGMZAP-LFVJCYFKSA-N 0 0 409.507 5.220 40 30 HKEBRN Cc1cccc(/N=C/c2cc(Cl)c(OCc3cccc(Cl)c3)c(Cl)c2)c1C ZINC000409216397 559022519 /nfs/dbraw/zinc/02/25/19/559022519.db2.gz KVGPZFSVUUCFGC-RPPGKUMJSA-N 0 0 418.751 7.593 40 30 HKEBRN COc1cc(/C=N/c2cccc(Cl)c2C)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409216416 560697294 /nfs/dbraw/zinc/69/72/94/560697294.db2.gz IBBCMNKCQQYOOH-VULFUBBASA-N 0 0 422.912 5.734 40 30 HKEBRN CCc1ccc(/N=C/c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc32)cc1 ZINC000409216457 559022542 /nfs/dbraw/zinc/02/25/42/559022542.db2.gz IMYQZSVVYGVRCF-WPWMEQJKSA-N 0 0 410.473 6.640 40 30 HKEBRN C=CCc1cc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc(OC)c1O ZINC000409216506 560697322 /nfs/dbraw/zinc/69/73/22/560697322.db2.gz IRHDNBCJEXJBBJ-HSOLMKNUSA-N 0 0 408.567 5.964 40 30 HKEBRN C=CCc1cc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc(OC)c1O ZINC000409216507 560697287 /nfs/dbraw/zinc/69/72/87/560697287.db2.gz IRHDNBCJEXJBBJ-OXVLKEGXSA-N 0 0 408.567 5.964 40 30 HKEBRN Cc1ccccc1/N=C/c1cc(Cl)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409216525 559022494 /nfs/dbraw/zinc/02/24/94/559022494.db2.gz IYTYGZLABCDOGA-WSDLNYQXSA-N 0 0 411.801 6.008 40 30 HKEBRN Cc1ccc(C)c(/N=C/c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc32)c1 ZINC000409216527 559022510 /nfs/dbraw/zinc/02/25/10/559022510.db2.gz IZIIPTPLBPMBDB-JVWAILMASA-N 0 0 410.473 6.694 40 30 HKEBRN Cc1ccc(/N=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)cc1 ZINC000409216548 559022483 /nfs/dbraw/zinc/02/24/83/559022483.db2.gz JEXAIFFKJRIMSY-WYMPLXKRSA-N 0 0 415.276 6.540 40 30 HKEBRN Cc1ccc(Cl)cc1/N=C/c1ccc(OS(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000409216549 559022540 /nfs/dbraw/zinc/02/25/40/559022540.db2.gz MCRDGVANGZGSPD-YDZHTSKRSA-N 0 0 420.317 5.820 40 30 HKEBRN CCOc1c(Cl)cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)cc1Cl ZINC000409216550 559022522 /nfs/dbraw/zinc/02/25/22/559022522.db2.gz JFLVQSMASYXAKZ-BTXRRSKUSA-N 0 0 401.359 5.481 40 30 HKEBRN Cc1ccccc1/N=C/c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)c(Cl)c1 ZINC000409216587 559022654 /nfs/dbraw/zinc/02/26/54/559022654.db2.gz JPFBWQGRKGRONZ-YDZHTSKRSA-N 0 0 420.317 5.820 40 30 HKEBRN CCOc1cc(/C=N/c2cccc(Cl)c2C)cc(Cl)c1OCc1ccccc1 ZINC000409216593 559022623 /nfs/dbraw/zinc/02/26/23/559022623.db2.gz JRRQZNFGUDPYKW-VULFUBBASA-N 0 0 414.332 7.030 40 30 HKEBRN CCOc1cc(/C=N/c2ccc(C)c(C)c2)cc(Cl)c1OCc1cccc(F)c1 ZINC000409216594 559022614 /nfs/dbraw/zinc/02/26/14/559022614.db2.gz MRAHNSBHLIDLLG-MZJWZYIUSA-N 0 0 411.904 6.824 40 30 HKEBRN Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/c3cc(C)ccc3C)cc2Cl)cc1 ZINC000409216595 559022626 /nfs/dbraw/zinc/02/26/26/559022626.db2.gz JRTLTKUSJUNRRX-ZVHZXABRSA-N 0 0 413.926 5.784 40 30 HKEBRN Cc1ccccc1/N=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1 ZINC000409216627 559022657 /nfs/dbraw/zinc/02/26/57/559022657.db2.gz KDUMPILFAZRATC-ZMOGYAJESA-N 0 0 414.730 6.741 40 30 HKEBRN Cc1ccc(C)c(/N=C/c2c(OCC(=O)Nc3ccccc3)ccc3ccccc32)c1 ZINC000409216628 560697305 /nfs/dbraw/zinc/69/73/05/560697305.db2.gz KEDNQLULTPETGN-OGLMXYFKSA-N 0 0 408.501 6.225 40 30 HKEBRN Cc1c(Cl)cccc1/N=C/c1c(OCc2ccccc2Cl)ccc2ccccc21 ZINC000409216634 559022635 /nfs/dbraw/zinc/02/26/35/559022635.db2.gz MUCLZYRHWBOAIR-RWPZCVJISA-N 0 0 420.339 7.785 40 30 HKEBRN COc1ccc(/N=C/c2c(OCC(=O)Nc3cccc(C)c3)ccc3ccccc32)cc1 ZINC000409216654 560697319 /nfs/dbraw/zinc/69/73/19/560697319.db2.gz NHBKOALXVGYCIO-OGLMXYFKSA-N 0 0 424.500 5.925 40 30 HKEBRN CCc1ccc(/N=C/c2cc(Br)c(OCc3ccccc3)c(OC)c2)cc1 ZINC000409216708 559022656 /nfs/dbraw/zinc/02/26/56/559022656.db2.gz KHTKKCZWLJYXFD-MFKUBSTISA-N 0 0 424.338 6.350 40 30 HKEBRN Cc1c(Cl)cccc1/N=C/c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000409216755 560697392 /nfs/dbraw/zinc/69/73/92/560697392.db2.gz OFTPKXSYNNOOOP-ZMOGYAJESA-N 0 0 414.730 6.741 40 30 HKEBRN COc1cc(/C=N/c2cc(C)ccc2C)cc(Cl)c1OCC(=O)Nc1ccccc1 ZINC000409216762 560697389 /nfs/dbraw/zinc/69/73/89/560697389.db2.gz LHKLVILQLZDJCD-VULFUBBASA-N 0 0 422.912 5.734 40 30 HKEBRN Cc1cccc(NC(=O)COc2ccc(Cl)cc2/C=N/c2ccc(C)c(C)c2)c1 ZINC000409216775 559022625 /nfs/dbraw/zinc/02/26/25/559022625.db2.gz OJSRMTALPRVLKU-VULFUBBASA-N 0 0 406.913 6.033 40 30 HKEBRN C=CCOc1c(Br)cc(/C=N/c2ccc(C)c(Cl)c2)cc1OCC ZINC000409216782 560697399 /nfs/dbraw/zinc/69/73/99/560697399.db2.gz LLQLRKPHIVVCRD-WSDLNYQXSA-N 0 0 408.723 6.125 40 30 HKEBRN Clc1cccc(COc2ccc(/C=N/c3ccc(Oc4ccccc4)cc3)cc2)c1 ZINC000409216791 560697388 /nfs/dbraw/zinc/69/73/88/560697388.db2.gz OMVQPCSZTQDPHI-MTDXEUNCSA-N 0 0 413.904 7.462 40 30 HKEBRN Cc1cccc(NC(=O)COc2ccc3ccccc3c2/C=N/c2cccc(C)c2C)c1 ZINC000409216792 559022616 /nfs/dbraw/zinc/02/26/16/559022616.db2.gz LNODTYJCDLTKAS-STBIYBPSSA-N 0 0 422.528 6.533 40 30 HKEBRN CCCOc1c(Br)cc(/C=N/c2ccc(C)cc2)cc1Br ZINC000409216799 559022599 /nfs/dbraw/zinc/02/25/99/559022599.db2.gz OOAIMXZFKVTZMC-RGVLZGJSSA-N 0 0 411.137 6.059 40 30 HKEBRN CCOc1ccc(/C=N\c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c(OCC)c1 ZINC000409216825 560697395 /nfs/dbraw/zinc/69/73/95/560697395.db2.gz LXGBKUVLENMZAA-LNIIIOKPSA-N 0 0 410.583 6.319 40 30 HKEBRN CCOc1ccc(/C=N\c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c(OCC)c1 ZINC000409216826 559022740 /nfs/dbraw/zinc/02/27/40/559022740.db2.gz LXGBKUVLENMZAA-QVMKDISWSA-N 0 0 410.583 6.319 40 30 HKEBRN Cc1ccc(/N=C/c2cc(Br)ccc2OCc2ccc(F)cc2)cc1C ZINC000409216872 560697404 /nfs/dbraw/zinc/69/74/04/560697404.db2.gz PFKGPCZPVVUUOF-DHRITJCHSA-N 0 0 412.302 6.535 40 30 HKEBRN Cc1ccc(NC(=O)COc2ccc(/C=N/c3ccccc3)cc2Cl)cc1Cl ZINC000409216894 559022704 /nfs/dbraw/zinc/02/27/04/559022704.db2.gz POXAIUMDUBDRKN-DHRITJCHSA-N 0 0 413.304 6.070 40 30 HKEBRN CCCOc1c(I)cc(/C=N/c2ccccc2C)cc1OC ZINC000409216896 560697398 /nfs/dbraw/zinc/69/73/98/560697398.db2.gz PPEBQMCJXFNBOR-UDWIEESQSA-N 0 0 409.267 5.148 40 30 HKEBRN COc1cc(/C=N/c2cc(Cl)ccc2C)cc(Cl)c1OCc1ccc(F)cc1 ZINC000409216905 559022713 /nfs/dbraw/zinc/02/27/13/559022713.db2.gz MFPMTYRORDWNCJ-RPPGKUMJSA-N 0 0 418.295 6.779 40 30 HKEBRN CCOc1cc(/C=N/c2ccccc2)cc(Br)c1OCc1ccccc1 ZINC000409216910 560697391 /nfs/dbraw/zinc/69/73/91/560697391.db2.gz MGCSABBZXDGUFO-BUVRLJJBSA-N 0 0 410.311 6.177 40 30 HKEBRN Cc1ccc(/N=C/c2c(OCc3cccc(Cl)c3)ccc3ccccc32)cc1Cl ZINC000409216921 559022682 /nfs/dbraw/zinc/02/26/82/559022682.db2.gz PRVIHQYQOOXFKC-RWPZCVJISA-N 0 0 420.339 7.785 40 30 HKEBRN COc1cc(/C=N/c2cc(C)ccc2C)ccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000409216930 559022745 /nfs/dbraw/zinc/02/27/45/559022745.db2.gz PVAKIQFBLLHUKR-BUVRLJJBSA-N 0 0 409.507 5.139 40 30 HKEBRN CCCOc1c(Br)cc(Br)cc1/C=N/c1ccc(C)cc1 ZINC000409216931 560697411 /nfs/dbraw/zinc/69/74/11/560697411.db2.gz PVBDGTNTJFHUQL-RGVLZGJSSA-N 0 0 411.137 6.059 40 30 HKEBRN COc1ccc(/N=C/c2cc(Cl)c(OCc3ccccc3Cl)c(OC)c2)cc1 ZINC000409216945 560697396 /nfs/dbraw/zinc/69/73/96/560697396.db2.gz QAIVUZQAAGVVDL-DHRITJCHSA-N 0 0 416.304 6.340 40 30 HKEBRN Clc1ccccc1COc1ccc(Br)cc1/C=N/c1ccccc1 ZINC000409216969 560697409 /nfs/dbraw/zinc/69/74/09/560697409.db2.gz QDGUGQBVWWNNSH-YDZHTSKRSA-N 0 0 400.703 6.432 40 30 HKEBRN CCOc1cc(/C=N/c2ccccc2)ccc1OCc1ccc(Br)cc1 ZINC000409216981 560697403 /nfs/dbraw/zinc/69/74/03/560697403.db2.gz QHBFXWKWOUDMDN-BUVRLJJBSA-N 0 0 410.311 6.177 40 30 HKEBRN CCOc1c(Br)cc(Br)cc1/C=N/c1cc(C)ccc1C ZINC000409217017 559022679 /nfs/dbraw/zinc/02/26/79/559022679.db2.gz QULYVNQTVWLNFW-KEBDBYFISA-N 0 0 411.137 5.978 40 30 HKEBRN Cc1ccc(Cl)cc1/N=C/c1ccc(OCc2cccc3ccccc32)c(Cl)c1 ZINC000409217023 559022730 /nfs/dbraw/zinc/02/27/30/559022730.db2.gz QVPRBYMNEBXBER-RWPZCVJISA-N 0 0 420.339 7.785 40 30 HKEBRN Cc1ccc(/N=C/c2c(OCC(=O)Nc3ccccc3)ccc3ccccc32)c(C)c1 ZINC000409217047 560697459 /nfs/dbraw/zinc/69/74/59/560697459.db2.gz NNDINGHEQGSNSP-OGLMXYFKSA-N 0 0 408.501 6.225 40 30 HKEBRN CCOc1cc(/C=N/c2ccc(C)c(C)c2)cc(I)c1OCC ZINC000409217072 559022717 /nfs/dbraw/zinc/02/27/17/559022717.db2.gz NSIXCIGGOZXQPZ-CIAFOILYSA-N 0 0 423.294 5.456 40 30 HKEBRN COc1cc(/C=N/c2cc(C)ccc2C)cc(Cl)c1OCc1cccc(Cl)c1 ZINC000409217088 559022705 /nfs/dbraw/zinc/02/27/05/559022705.db2.gz RJMQEMBJFDCCNR-LGJNPRDNSA-N 0 0 414.332 6.948 40 30 HKEBRN COc1cc(/C=N/c2cccc(C)c2C)cc(Cl)c1OCc1ccccc1Cl ZINC000409217110 559022724 /nfs/dbraw/zinc/02/27/24/559022724.db2.gz RTBGEJYWIAQPHO-LGJNPRDNSA-N 0 0 414.332 6.948 40 30 HKEBRN Cc1c(Cl)cccc1/N=C\c1cccc(OS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000409217127 560697507 /nfs/dbraw/zinc/69/75/07/560697507.db2.gz SCKQNGKYTSLOLT-QRVIBDJDSA-N 0 0 420.317 5.820 40 30 HKEBRN CCOc1ccc(/N=C/c2cc(Br)ccc2OCc2ccc(C)cc2)cc1 ZINC000409217138 559022738 /nfs/dbraw/zinc/02/27/38/559022738.db2.gz SIEKXRPKZLPMEQ-MFKUBSTISA-N 0 0 424.338 6.486 40 30 HKEBRN CCOc1ccc(/N=C/c2ccc(OCc3ccccc3)c(Br)c2)cc1 ZINC000409217151 559022690 /nfs/dbraw/zinc/02/26/90/559022690.db2.gz SOLVUIZLJNAFFZ-BUVRLJJBSA-N 0 0 410.311 6.177 40 30 HKEBRN Cc1ccc(Cl)cc1/N=C/c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000409217178 560697483 /nfs/dbraw/zinc/69/74/83/560697483.db2.gz SXKHZOSJUHGDLL-YDZHTSKRSA-N 0 0 420.317 5.820 40 30 HKEBRN CCOc1cc(/C=N/c2ccc(C)c(C)c2)cc(Cl)c1OCc1ccccc1F ZINC000409217238 560697490 /nfs/dbraw/zinc/69/74/90/560697490.db2.gz OHFXTCZOCDQWBW-MZJWZYIUSA-N 0 0 411.904 6.824 40 30 HKEBRN COc1cc(/C=N/c2ccc(C)cc2)cc(Cl)c1OCc1cccc2ccccc21 ZINC000409217240 560697465 /nfs/dbraw/zinc/69/74/65/560697465.db2.gz TZBCXSCEYGQRDX-LQKURTRISA-N 0 0 415.920 7.140 40 30 HKEBRN CCOc1c(Br)cc(/C=N/c2ccc(CC)cc2)cc1Br ZINC000409217263 560697512 /nfs/dbraw/zinc/69/75/12/560697512.db2.gz OJKSLRLOGHGZJY-RGVLZGJSSA-N 0 0 411.137 5.923 40 30 HKEBRN Cc1ccc(/N=C\c2cccc(OCc3ccc(Br)cc3)c2)cc1Cl ZINC000409217315 559022687 /nfs/dbraw/zinc/02/26/87/559022687.db2.gz OYOYQGNBWIZECU-CFRMEGHHSA-N 0 0 414.730 6.741 40 30 HKEBRN COc1cccc(-n2c(C)cc(/C=C3\S/C(=N\C(C)C)N(C(C)C)C3=O)c2C)c1 ZINC000409217335 559022694 /nfs/dbraw/zinc/02/26/94/559022694.db2.gz PFPRGRKJQLOFTN-CPFLNSBHSA-N 0 0 411.571 5.192 40 30 HKEBRN Cc1c(Cl)cccc1/N=C/c1ccc(OCc2cccc(Cl)c2)c(Cl)c1 ZINC000409217431 560697594 /nfs/dbraw/zinc/69/75/94/560697594.db2.gz UUDJDJRRFAACBH-BRJLIKDPSA-N 0 0 404.724 7.285 40 30 HKEBRN Cc1cccc(/N=C/c2c(OCC(=O)Nc3ccccc3)ccc3ccccc32)c1C ZINC000409217438 559022686 /nfs/dbraw/zinc/02/26/86/559022686.db2.gz UXDRVRYXCTUVKI-OGLMXYFKSA-N 0 0 408.501 6.225 40 30 HKEBRN CCOc1cc(/C=N/c2cc(C)ccc2C)ccc1OCc1cccc2ccccc21 ZINC000409217589 559022715 /nfs/dbraw/zinc/02/27/15/559022715.db2.gz QKCBNMVCLAOFKM-RDRPBHBLSA-N 0 0 409.529 7.185 40 30 HKEBRN CCc1ccc(/N=C/c2cc(Cl)c(OCC(=O)Nc3ccccc3)c(OC)c2)cc1 ZINC000409217606 559021915 /nfs/dbraw/zinc/02/19/15/559021915.db2.gz QPHLXMMPACLECU-CVKSISIWSA-N 0 0 422.912 5.679 40 30 HKEBRN COc1cc(/C=N/c2ccc(C)c(Cl)c2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409217638 560697572 /nfs/dbraw/zinc/69/75/72/560697572.db2.gz RBGMEJQXBVCSEP-ZMOGYAJESA-N 0 0 410.857 5.895 40 30 HKEBRN Cc1ccc(C)c(/N=C/c2ccc(OCc3ccccc3F)c(Br)c2)c1 ZINC000409217645 560697603 /nfs/dbraw/zinc/69/76/03/560697603.db2.gz RDGWEJZDEXGZBH-DHRITJCHSA-N 0 0 412.302 6.535 40 30 HKEBRN Cc1ccccc1/N=C/c1ccc(OCc2ccccc2Cl)c(Br)c1 ZINC000409217771 560697654 /nfs/dbraw/zinc/69/76/54/560697654.db2.gz WMJFNJCSTUQERF-ZMOGYAJESA-N 0 0 414.730 6.741 40 30 HKEBRN Cc1ccc(/N=C/c2cc(Cl)ccc2OCC(=O)Nc2ccccc2)cc1Cl ZINC000409217781 559022849 /nfs/dbraw/zinc/02/28/49/559022849.db2.gz WNKWKEPFNXBXOF-DHRITJCHSA-N 0 0 413.304 6.070 40 30 HKEBRN CC(C)/N=C1\S/C(=C/c2ccccc2OCc2ccccc2C#N)C(=O)N1C(C)C ZINC000409217821 559022874 /nfs/dbraw/zinc/02/28/74/559022874.db2.gz WZTQZCCUDLTCGE-MYVOUCEISA-N 0 0 419.550 5.226 40 30 HKEBRN CCc1ccc(/N=C/c2cc(Cl)c(OCc3cccc(Cl)c3)c(Cl)c2)cc1 ZINC000409217847 560697676 /nfs/dbraw/zinc/69/76/76/560697676.db2.gz XLXULYXOJHAAHA-LGJNPRDNSA-N 0 0 418.751 7.539 40 30 HKEBRN CCOc1cc(/C=N/c2ccc(C)c(Cl)c2)ccc1OCc1cccc(Cl)c1 ZINC000409217850 559022882 /nfs/dbraw/zinc/02/28/82/559022882.db2.gz XNMIRDXRPCHMFP-VULFUBBASA-N 0 0 414.332 7.030 40 30 HKEBRN CCc1ccc(/N=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(OC)c2)cc1 ZINC000409217897 559022801 /nfs/dbraw/zinc/02/28/01/559022801.db2.gz YGUNLPWDRTVPAK-VULFUBBASA-N 0 0 414.332 6.894 40 30 HKEBRN COc1ccc(/N=C\c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)cc1 ZINC000409217907 559022820 /nfs/dbraw/zinc/02/28/20/559022820.db2.gz RNSBNXZFKPYKKU-MXAYSNPKSA-N 0 0 416.355 6.165 40 30 HKEBRN COc1cc(/C=N/c2ccc(C)cc2)ccc1OCc1ccc(Br)cc1 ZINC000409217994 560697693 /nfs/dbraw/zinc/69/76/93/560697693.db2.gz GQHYVIXQPVWNHM-ZVHZXABRSA-N 0 0 410.311 6.096 40 30 HKEBRN COc1cc(/C=N/c2ccc(C)cc2C)cc(Cl)c1OCC(=O)Nc1ccccc1 ZINC000409218048 559022831 /nfs/dbraw/zinc/02/28/31/559022831.db2.gz SIJSTPPUEDQCMY-VULFUBBASA-N 0 0 422.912 5.734 40 30 HKEBRN Cc1ccc(/N=C\c2cccc(OS(=O)(=O)c3ccc(Cl)cc3)c2)cc1Cl ZINC000409218063 560697667 /nfs/dbraw/zinc/69/76/67/560697667.db2.gz SKNHPVXDJYFICL-QRVIBDJDSA-N 0 0 420.317 5.820 40 30 HKEBRN Cc1ccc(/N=C/c2cc(Br)ccc2OCc2ccccc2)cc1Cl ZINC000409218162 560697715 /nfs/dbraw/zinc/69/77/15/560697715.db2.gz SVHPWAMMKGXNGF-ZMOGYAJESA-N 0 0 414.730 6.741 40 30 HKEBRN CCOc1ccc(/N=C/c2c(OCC(=O)Nc3ccccc3)ccc3ccccc32)cc1 ZINC000409218170 560697709 /nfs/dbraw/zinc/69/77/09/560697709.db2.gz SWLWQJSFNOZCTO-MTDXEUNCSA-N 0 0 424.500 6.007 40 30 HKEBRN Cc1ccccc1/N=C/c1cc(Cl)c(OCc2cccc(Cl)c2)c(Cl)c1 ZINC000409218173 559022841 /nfs/dbraw/zinc/02/28/41/559022841.db2.gz SWWSBVGSYMHJBT-BRJLIKDPSA-N 0 0 404.724 7.285 40 30 HKEBRN Cc1ccc(/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)cc1Cl ZINC000409218213 560697793 /nfs/dbraw/zinc/69/77/93/560697793.db2.gz ZHSNWTIWWJZRHI-WYMPLXKRSA-N 0 0 415.276 6.540 40 30 HKEBRN CCOc1cc(/C=N/c2cccc(C)c2C)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409218224 560697753 /nfs/dbraw/zinc/69/77/53/560697753.db2.gz ZKKYCVQEUZEVAW-JVWAILMASA-N 0 0 416.521 5.779 40 30 HKEBRN CCOc1cc(Cl)c(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)cc1OCC ZINC000409218240 560697768 /nfs/dbraw/zinc/69/77/68/560697768.db2.gz ZNYMOWCESRVDIL-HFYOLELGSA-N 0 0 410.967 5.227 40 30 HKEBRN COc1cc(/C=N/c2cccc(Cl)c2C)cc(Cl)c1OCc1cccc(F)c1 ZINC000409218244 559022872 /nfs/dbraw/zinc/02/28/72/559022872.db2.gz ZOQNKUQXRGRNOZ-RPPGKUMJSA-N 0 0 418.295 6.779 40 30 HKEBRN Cc1ccc(Cl)cc1/N=C/c1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1 ZINC000409218251 560697777 /nfs/dbraw/zinc/69/77/77/560697777.db2.gz ZPTYYLFPKHWGPH-KBKYJPHKSA-N 0 0 422.714 7.424 40 30 HKEBRN Cc1ccc(Cl)cc1/N=C/c1cc(Cl)ccc1OS(=O)(=O)c1ccccc1 ZINC000409218259 559022827 /nfs/dbraw/zinc/02/28/27/559022827.db2.gz ZTDHAALQJNJACG-YDZHTSKRSA-N 0 0 420.317 5.820 40 30 HKEBRN C=CCc1cc(/C=C2/SC(=O)N(CCc3ccccc3)C2=O)cc(OCC)c1OC ZINC000409218310 559022825 /nfs/dbraw/zinc/02/28/25/559022825.db2.gz TXMHFHATYLMJJU-LTGZKZEYSA-N 0 0 423.534 5.101 40 30 HKEBRN Cc1ccccc1/N=C/c1cc(Br)ccc1OCc1cccc(Cl)c1 ZINC000409218345 560697755 /nfs/dbraw/zinc/69/77/55/560697755.db2.gz ULRAPYGWSPKGLB-ZMOGYAJESA-N 0 0 414.730 6.741 40 30 HKEBRN O=C(COc1cccc(/C=N\c2ccc(Oc3ccccc3)cc2)c1)Nc1ccccc1 ZINC000409218349 559022916 /nfs/dbraw/zinc/02/29/16/559022916.db2.gz ULXBZILNQHTHRJ-USHMODERSA-N 0 0 422.484 6.247 40 30 HKEBRN C=CCOc1c(Br)cc(/C=N/c2cc(C)ccc2C)cc1Br ZINC000409218388 559022893 /nfs/dbraw/zinc/02/28/93/559022893.db2.gz UVRGLIUHFGWZND-SRZZPIQSSA-N 0 0 423.148 6.144 40 30 HKEBRN Cc1ccc(/N=C/c2cc(Br)ccc2OCc2cccc(Cl)c2)cc1 ZINC000409218419 560697762 /nfs/dbraw/zinc/69/77/62/560697762.db2.gz VCOYWHHWGLHMGL-ZMOGYAJESA-N 0 0 414.730 6.741 40 30 HKEBRN CCOc1cc(/C=N/c2ccc(CC)cc2)cc(Cl)c1OCc1ccccc1F ZINC000409218451 559022911 /nfs/dbraw/zinc/02/29/11/559022911.db2.gz VHDGCJHGWPSGSK-JFLMPSFJSA-N 0 0 411.904 6.770 40 30 HKEBRN C#CCOc1c(Cl)cc(/C=N/c2ccc(Oc3ccccc3)cc2)cc1OCC ZINC000409218461 560697779 /nfs/dbraw/zinc/69/77/79/560697779.db2.gz VJCQCSFIGJCCKM-YZSQISJMSA-N 0 0 405.881 6.294 40 30 HKEBRN COc1ccc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)cc1OCc1ccccc1 ZINC000409218493 560697767 /nfs/dbraw/zinc/69/77/67/560697767.db2.gz VQBACNNUEZMZLV-QMSJJHEMSA-N 0 0 424.566 5.363 40 30 HKEBRN CCOc1c(Br)cc(Br)cc1/C=N/c1ccc(C)c(C)c1 ZINC000409218613 560697758 /nfs/dbraw/zinc/69/77/58/560697758.db2.gz WFNSBPOGNFKVGD-KEBDBYFISA-N 0 0 411.137 5.978 40 30 HKEBRN COc1ccc(/N=C/c2ccccc2OCC(=O)Nc2ccc(C)c(Cl)c2)cc1 ZINC000409218657 560697925 /nfs/dbraw/zinc/69/79/25/560697925.db2.gz XBLCVKKTAMJMBO-AFUMVMLFSA-N 0 0 408.885 5.425 40 30 HKEBRN COc1cc(/C=N/c2ccccc2C)cc(Br)c1OCc1ccccc1 ZINC000409218687 560697881 /nfs/dbraw/zinc/69/78/81/560697881.db2.gz XKPPDFSYURZUMG-ZVHZXABRSA-N 0 0 410.311 6.096 40 30 HKEBRN COc1cc(/C=N/c2cc(Cl)ccc2C)cc(Cl)c1OCc1ccccc1F ZINC000409218773 560697875 /nfs/dbraw/zinc/69/78/75/560697875.db2.gz KNVRSFPTERXIOL-RPPGKUMJSA-N 0 0 418.295 6.779 40 30 HKEBRN Cc1ccc(Cl)cc1/N=C/c1cc(Cl)c(OCc2ccccc2)c(Cl)c1 ZINC000409218889 559023112 /nfs/dbraw/zinc/02/31/12/559023112.db2.gz XUFBPRCPJUDRKD-BRJLIKDPSA-N 0 0 404.724 7.285 40 30 HKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(/N=C\c3cccc(Br)c3)sc2C1 ZINC000409218893 560697933 /nfs/dbraw/zinc/69/79/33/560697933.db2.gz XVQYYDBUXDMQSV-GKGMIHAQSA-N 0 0 401.373 6.284 40 30 HKEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(/N=C\c3cccc(Br)c3)sc2C1 ZINC000409218894 560697908 /nfs/dbraw/zinc/69/79/08/560697908.db2.gz XVQYYDBUXDMQSV-IIHGDPFSSA-N 0 0 401.373 6.284 40 30 HKEBRN COc1ccc(/N=C/c2cc(Cl)c(OCc3cccc(Cl)c3)c(OC)c2)cc1 ZINC000409218906 559023135 /nfs/dbraw/zinc/02/31/35/559023135.db2.gz YDCABURFVUDVSZ-DHRITJCHSA-N 0 0 416.304 6.340 40 30 HKEBRN CCOc1c(Br)cc(/C=N/c2ccc(OC)cc2)cc1Br ZINC000409218915 560697869 /nfs/dbraw/zinc/69/78/69/560697869.db2.gz YHHLKAJHHVJBDY-VXLYETTFSA-N 0 0 413.109 5.370 40 30 HKEBRN Cc1ccccc1/N=C/c1cc(Br)ccc1OCC(=O)Nc1ccccc1 ZINC000409218924 560697927 /nfs/dbraw/zinc/69/79/27/560697927.db2.gz YNOPUCXXSOZFAI-ZVHZXABRSA-N 0 0 423.310 5.526 40 30 HKEBRN CCc1ccc(/N=C/c2cc(Cl)ccc2OS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000409218932 559023173 /nfs/dbraw/zinc/02/31/73/559023173.db2.gz YPAJYBGCCURFGB-BUVRLJJBSA-N 0 0 413.926 5.729 40 30 HKEBRN N#Cc1ccc(-c2ccc(/C=C3/SC(=O)N(c4cccc(Cl)c4)C3=O)o2)cc1 ZINC000409218940 559023133 /nfs/dbraw/zinc/02/31/33/559023133.db2.gz YRAXELNJTUVRTI-YBFXNURJSA-N 0 0 406.850 5.713 40 30 HKEBRN Cc1ccccc1/N=C/c1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl ZINC000409218946 559023114 /nfs/dbraw/zinc/02/31/14/559023114.db2.gz YTFXHJVMVBRVML-BRJLIKDPSA-N 0 0 404.724 7.285 40 30 HKEBRN COc1cc(/C=N/c2cc(Cl)ccc2C)ccc1OCc1cccc(Cl)c1 ZINC000409218962 559023141 /nfs/dbraw/zinc/02/31/41/559023141.db2.gz ZBAXIGUIYKIWEG-DHRITJCHSA-N 0 0 400.305 6.640 40 30 HKEBRN Cc1ccc(/N=C/c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)cc1 ZINC000409219120 559023078 /nfs/dbraw/zinc/02/30/78/559023078.db2.gz NKIYLQPMKNURGF-BRJLIKDPSA-N 0 0 404.724 7.285 40 30 HKEBRN CCOc1c(Br)cc(Br)cc1/C=N/c1ccc(C)cc1C ZINC000409219239 560697922 /nfs/dbraw/zinc/69/79/22/560697922.db2.gz OQUQORSCJZZWHB-KEBDBYFISA-N 0 0 411.137 5.978 40 30 HKEBRN COc1cc(/C=N/c2cc(C)ccc2C)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000409219430 559023089 /nfs/dbraw/zinc/02/30/89/559023089.db2.gz QLFPMOQKFYVJCH-LGJNPRDNSA-N 0 0 414.332 6.948 40 30 HKEBRN Cc1ccc(/N=C/c2c(OS(=O)(=O)c3ccccc3)ccc3ccccc32)cc1 ZINC000409219545 560697894 /nfs/dbraw/zinc/69/78/94/560697894.db2.gz RSWABXNWCMOBOV-KOEQRZSOSA-N 0 0 401.487 5.667 40 30 HKEBRN Cc1ccc(C)c(/N=C/c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)cc2)c1 ZINC000409219709 559023291 /nfs/dbraw/zinc/02/32/91/559023291.db2.gz UCGCRGWEMMVBJO-VULFUBBASA-N 0 0 406.913 6.033 40 30 HKEBRN COc1ccc(/N=C/c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)cc1 ZINC000409219857 560698002 /nfs/dbraw/zinc/69/80/02/560698002.db2.gz VRGCEPZCXOVKLF-BRJLIKDPSA-N 0 0 404.268 6.471 40 30 HKEBRN CCOc1ccc(/N=C/c2cc(Cl)c(OCc3ccccc3)c(OCC)c2)cc1 ZINC000409219995 560694452 /nfs/dbraw/zinc/69/44/52/560694452.db2.gz XBHMLMXYQRSMDP-WGOQTCKBSA-N 0 0 409.913 6.467 40 30 HKEBRN COc1cc(/C=N/c2cccc(C)c2C)cc(Br)c1OCc1ccccc1 ZINC000409220038 559023136 /nfs/dbraw/zinc/02/31/36/559023136.db2.gz XQKBQGSJYMCIEC-AFUMVMLFSA-N 0 0 424.338 6.404 40 30 HKEBRN CCc1ccc(/N=C/c2ccc(OCc3ccccc3F)c(Br)c2)cc1 ZINC000409220197 560698599 /nfs/dbraw/zinc/69/85/99/560698599.db2.gz ZDOANBRHGFCFCV-AFUMVMLFSA-N 0 0 412.302 6.480 40 30 HKEBRN Cc1ccccc1/N=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1 ZINC000409220245 560698627 /nfs/dbraw/zinc/69/86/27/560698627.db2.gz ZXDMVKMTCZUAKS-BRJLIKDPSA-N 0 0 404.724 7.285 40 30 HKEBRN Fc1cccc(Cn2ccc3cc(/C=N/c4ccccc4Br)ccc32)c1 ZINC000409220547 559024771 /nfs/dbraw/zinc/02/47/71/559024771.db2.gz BHIMLUFJAWDDKU-AFUMVMLFSA-N 0 0 407.286 6.342 40 30 HKEBRN CCN1C(=O)/C(=C\c2cc(Br)cs2)S/C1=N/c1ccc(F)cc1 ZINC000409220612 559024773 /nfs/dbraw/zinc/02/47/73/559024773.db2.gz CDCJLQZUKSQYDC-NNBJUWIKSA-N 0 0 411.321 5.274 40 30 HKEBRN CCN1C(=O)/C(=C\c2ccc(Br)s2)S/C1=N/c1ccc(OC)cc1 ZINC000409220644 559024937 /nfs/dbraw/zinc/02/49/37/559024937.db2.gz CQPKKPKSNYLXNZ-KOJZBUGZSA-N 0 0 423.357 5.143 40 30 HKEBRN Cc1c(Cl)cccc1N=C1NC(=O)/C(=C\c2cc(Br)ccc2O)S1 ZINC000409220734 560698595 /nfs/dbraw/zinc/69/85/95/560698595.db2.gz FBAPHDRHUAUPSN-OVCLIPMQSA-N 0 0 423.719 5.008 40 30 HKEBRN COc1ccc(/N=C/c2ccc(-c3ccc(C)cc3Br)o2)cc1Cl ZINC000409220846 560698622 /nfs/dbraw/zinc/69/86/22/560698622.db2.gz GSDDVZRELKFUJC-SSDVNMTOSA-N 0 0 404.691 6.430 40 30 HKEBRN Fc1cccc(Cn2ccc3cc(/C=N\c4ccc(Nc5ccccc5)cc4)ccc32)c1 ZINC000409221069 559026046 /nfs/dbraw/zinc/02/60/46/559026046.db2.gz KLMVFUXTGUDJJA-FSGOGVSDSA-N 0 0 419.503 7.323 40 30 HKEBRN Fc1cccc(Cn2ccc3cc(/C=N/NC(=S)Nc4ccccc4)ccc32)c1 ZINC000409221149 560698775 /nfs/dbraw/zinc/69/87/75/560698775.db2.gz LPPHEDVNXSBHKZ-MFKUBSTISA-N 0 0 402.498 5.149 40 30 HKEBRN Cc1c(Cl)cccc1N=C1NC(=O)/C(=C\c2ccc(-c3ccccc3C#N)o2)S1 ZINC000409221215 559026295 /nfs/dbraw/zinc/02/62/95/559026295.db2.gz MSVCDTVGZVPUGB-RGVLZGJSSA-N 0 0 419.893 5.672 40 30 HKEBRN CCN1C(=O)/C(=C\c2cc(Br)cs2)S/C1=N/c1ccc(OC)cc1 ZINC000409221469 559026688 /nfs/dbraw/zinc/02/66/88/559026688.db2.gz QTNBXSQSMLEUNN-NGCQHBKASA-N 0 0 423.357 5.143 40 30 HKEBRN COc1cc(N2CCCCC2)ccc1/C=N/c1ccc(Oc2ccccc2C)cc1 ZINC000409221998 560698798 /nfs/dbraw/zinc/69/87/98/560698798.db2.gz ASCKCEFYDKXZFT-ZXVVBBHZSA-N 0 0 400.522 6.537 40 30 HKEBRN COc1cc(N2CCOCC2)ccc1/C=N/c1ccc(Oc2ccccc2C)cc1 ZINC000409223471 560698933 /nfs/dbraw/zinc/69/89/33/560698933.db2.gz FXTPBENSLGTMMD-NLRVBDNBSA-N 0 0 402.494 5.383 40 30 HKEBRN Cc1ccc(NC(=O)COc2ccc(/C=N/c3ccc([N+](=O)[O-])cc3)cc2Cl)cc1 ZINC000409224717 559032016 /nfs/dbraw/zinc/03/20/16/559032016.db2.gz NMEDIDBCNJXQBG-ZMOGYAJESA-N 0 0 423.856 5.325 40 30 HKEBRN CCN1C(=O)/C(=C\c2ccc(OC(C)C)c(OC)c2)S/C1=N/c1ccc(F)cc1 ZINC000409224890 559032196 /nfs/dbraw/zinc/03/21/96/559032196.db2.gz IYEKKBOSSZTCEB-ATAQLJSPSA-N 0 0 414.502 5.245 40 30 HKEBRN CCN1C(=O)/C(=C\c2ccc(-c3ccc(F)cc3)o2)S/C1=N/c1ccc(OC)cc1 ZINC000409224907 560698114 /nfs/dbraw/zinc/69/81/14/560698114.db2.gz JGYJXNJOTIUWHY-LRXZINBSSA-N 0 0 422.481 5.718 40 30 HKEBRN O=C(COc1ccc(/C=N/c2ccc([N+](=O)[O-])cc2)cc1)Nc1ccc(Cl)cc1 ZINC000409225124 559032033 /nfs/dbraw/zinc/03/20/33/559032033.db2.gz OOEMMOVOXRHQJG-YDZHTSKRSA-N 0 0 409.829 5.016 40 30 HKEBRN O=C(COc1ccccc1/C=N/c1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)cc1 ZINC000409225143 559032194 /nfs/dbraw/zinc/03/21/94/559032194.db2.gz OWTNXBXCXIYKLD-YDZHTSKRSA-N 0 0 409.829 5.016 40 30 HKEBRN Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=N/c2ccc([N+](=O)[O-])cc2)cc1 ZINC000409226301 559033427 /nfs/dbraw/zinc/03/34/27/559033427.db2.gz URBTZNSFOQSZNO-ZMOGYAJESA-N 0 0 423.856 5.325 40 30 HKEBRN O=C(COc1cccc(/C=N\c2ccc([N+](=O)[O-])cc2)c1)Nc1ccc(Cl)cc1 ZINC000409226689 559034079 /nfs/dbraw/zinc/03/40/79/559034079.db2.gz REQAFBZHCITDBZ-QRVIBDJDSA-N 0 0 409.829 5.016 40 30 HKEBRN CC[C@@H](C)n1cc(/C=C2/S/C(=N/c3ccc(F)cc3)N(CC)C2=O)c2ccccc21 ZINC000409227115 560698166 /nfs/dbraw/zinc/69/81/66/560698166.db2.gz OXDHJBVVSMHXKO-OBVNLEMZSA-N 0 0 421.541 6.375 40 30 HKEBRN Cc1c(Cl)cccc1N=C1NC(=O)/C(=C\c2cc(Br)cs2)S1 ZINC000409227570 560698177 /nfs/dbraw/zinc/69/81/77/560698177.db2.gz PZPVGXHXFDFRIW-AWNIVKPZSA-N 0 0 413.749 5.364 40 30 HKEBRN CCN1C(=O)/C(=C\c2cccc(OC)c2OC(C)C)S/C1=N/c1ccc(F)cc1 ZINC000409227611 559034679 /nfs/dbraw/zinc/03/46/79/559034679.db2.gz QTZJTBZHJHEFLS-BBWXTVSKSA-N 0 0 414.502 5.245 40 30 HKEBRN CCOC(=O)c1cccc(/N=C\c2ccc(-c3ccc(C)cc3Br)o2)c1 ZINC000409227833 560698283 /nfs/dbraw/zinc/69/82/83/560698283.db2.gz RSDPPIWJYPAFNM-QRVIBDJDSA-N 0 0 412.283 5.945 40 30 HKEBRN COc1ccccc1Oc1ccc(/N=C/c2ccc(N3CCOCC3)cc2OC)cc1 ZINC000409227850 559034646 /nfs/dbraw/zinc/03/46/46/559034646.db2.gz RZJNOKOWYHUUQL-NLRVBDNBSA-N 0 0 418.493 5.083 40 30 HKEBRN Cc1ccc(Sc2ccc(/C=C3\SC(=Nc4ccccc4C)NC3=O)cc2)cc1 ZINC000409228226 559035434 /nfs/dbraw/zinc/03/54/34/559035434.db2.gz WDIQRHRCWSPSSA-JCMHNJIXSA-N 0 0 416.571 6.346 40 30 HKEBRN CCN1C(=O)/C(=C\c2cccc(Br)c2)S/C1=N/c1ccc(OC)cc1 ZINC000409228424 559035536 /nfs/dbraw/zinc/03/55/36/559035536.db2.gz ABVFTMKDFDUSIQ-HWWZFDGNSA-N 0 0 417.328 5.082 40 30 HKEBRN CC/N=C1\S/C(=C/c2ccc3c(ccn3Cc3cccc(F)c3)c2)C(=O)N1CC ZINC000409228797 560698375 /nfs/dbraw/zinc/69/83/75/560698375.db2.gz FJVBTZHOFJJAPN-LISDSOCTSA-N 0 0 407.514 5.141 40 30 HKEBRN COc1ccc(Oc2ccc(/N=C/c3ccc(N4CCOCC4)cc3OC)cc2)cc1 ZINC000409228922 559035847 /nfs/dbraw/zinc/03/58/47/559035847.db2.gz HFHNTYWXNYOEDJ-NLRVBDNBSA-N 0 0 418.493 5.083 40 30 HKEBRN CCOc1ccc(/C=C2/S/C(=N/c3ccc(F)cc3)N(CC)C2=O)c(OCC)c1 ZINC000409228927 559035892 /nfs/dbraw/zinc/03/58/92/559035892.db2.gz HHLKVUNWKGEQMC-ATAQLJSPSA-N 0 0 414.502 5.247 40 30 HKEBRN COC(=O)c1ccc(C)c(/N=C\c2ccc3c(ccn3Cc3cccc(F)c3)c2)c1 ZINC000409228981 559035528 /nfs/dbraw/zinc/03/55/28/559035528.db2.gz IAQITGXVCOHDMM-DICXZTSXSA-N 0 0 400.453 5.674 40 30 HKEBRN Cc1cc(/C=C2\SC(=Nc3ccc(Cl)cc3)NC2=O)c(C)n1-c1ccccn1 ZINC000409229030 559035499 /nfs/dbraw/zinc/03/54/99/559035499.db2.gz IPQOJSXMKCRNPQ-PDGQHHTCSA-N 0 0 408.914 5.034 40 30 HKEBRN Cc1ccc(-c2ccc(/C=N/c3ccc(Cl)c([N+](=O)[O-])c3)o2)c(Br)c1 ZINC000409229110 560698404 /nfs/dbraw/zinc/69/84/04/560698404.db2.gz JXKIGIATUMPQFY-UFFVCSGVSA-N 0 0 419.662 6.330 40 30 HKEBRN COC(=O)c1ccc(/N=C/c2ccc(-c3ccc(C)cc3Br)o2)c(C)c1 ZINC000409229349 560698484 /nfs/dbraw/zinc/69/84/84/560698484.db2.gz NTLHXYQQJKSXKM-FSJBWODESA-N 0 0 412.283 5.863 40 30 HKEBRN CCN1C(=O)/C(=C\c2ccccc2Br)S/C1=N/c1ccc(F)cc1 ZINC000409229507 560698487 /nfs/dbraw/zinc/69/84/87/560698487.db2.gz QAGUFIFXELQPNW-FGVWYHQHSA-N 0 0 405.292 5.212 40 30 HKEBRN CCN1C(=O)/C(=C\c2cc(Cl)c(OC)c(OC)c2)S/C1=N/c1ccc(F)cc1 ZINC000409229618 560698492 /nfs/dbraw/zinc/69/84/92/560698492.db2.gz RXLDZSUFLRCEJS-ZXMQTSGQSA-N 0 0 420.893 5.120 40 30 HKEBRN CCOc1cc(/C=C2/SC(=Nc3cccc(Cl)c3C)NC2=O)cc(Cl)c1O ZINC000409229640 559035865 /nfs/dbraw/zinc/03/58/65/559035865.db2.gz SDZOJYYRADMRHZ-CXUHLZMHSA-N 0 0 423.321 5.298 40 30 HKEBRN CCN1C(=O)/C(=C\c2ccc(Br)cc2)S/C1=N/c1ccc(OC)cc1 ZINC000409229644 560698499 /nfs/dbraw/zinc/69/84/99/560698499.db2.gz SFXRMENHZLEFJU-HWWZFDGNSA-N 0 0 417.328 5.082 40 30 HKEBRN C=C[C@@H](C)N1C(=O)S/C(=C\c2ccc(-c3ccc(C)cc3Br)o2)C1=O ZINC000409229675 560698586 /nfs/dbraw/zinc/69/85/86/560698586.db2.gz STTSPRXMTOKKAU-HJPCULJESA-N 0 0 418.312 5.628 40 30 HKEBRN C=C[C@H](C)N1C(=O)S/C(=C\c2ccc(-c3ccc(C)cc3Br)o2)C1=O ZINC000409229676 560698578 /nfs/dbraw/zinc/69/85/78/560698578.db2.gz STTSPRXMTOKKAU-NJPLLEPOSA-N 0 0 418.312 5.628 40 30 HKEBRN CC[C@H](C)Oc1ccc(/C=C2/S/C(=N/c3ccc(OC)cc3)N(CC)C2=O)cc1 ZINC000409229789 559035842 /nfs/dbraw/zinc/03/58/42/559035842.db2.gz VBRWXYIVDMDNJJ-LGLPZBKBSA-N 0 0 410.539 5.496 40 30 HKEBRN CC[C@@H](C)Oc1ccc(/C=C2/S/C(=N/c3ccc(OC)cc3)N(CC)C2=O)cc1 ZINC000409229790 559035880 /nfs/dbraw/zinc/03/58/80/559035880.db2.gz VBRWXYIVDMDNJJ-TXTWYTOOSA-N 0 0 410.539 5.496 40 30 HKEBRN CCOc1ccc(/C=C2/SC(=Nc3cccc(Cl)c3C)NC2=O)c(OCC)c1 ZINC000409229793 559035966 /nfs/dbraw/zinc/03/59/66/559035966.db2.gz VCJTYBWMKYBRGP-YBFXNURJSA-N 0 0 416.930 5.337 40 30 HKEBRN CCN1C(=O)/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)S/C1=N/c1ccc(F)cc1 ZINC000409229874 559035957 /nfs/dbraw/zinc/03/59/57/559035957.db2.gz ARWMWBCCZSNADX-XSGZQOPMSA-N 0 0 405.838 5.011 40 30 HKEBRN Cc1cc(/C=N/c2ccc(Oc3ccccc3Cl)cc2)c(C)n1-c1ccccn1 ZINC000409229889 560699065 /nfs/dbraw/zinc/69/90/65/560699065.db2.gz ATHZHDAPNBJISC-JVWAILMASA-N 0 0 401.897 6.685 40 30 HKEBRN CCOc1ccc(/C=C2/SC(=Nc3cccc(Cl)c3C)NC2=O)c2ccccc12 ZINC000409229942 559036008 /nfs/dbraw/zinc/03/60/08/559036008.db2.gz AFBDFIKFYZXQEL-FYJGNVAPSA-N 0 0 422.937 6.092 40 30 HKEBRN COC(=O)c1ccc(/N=C\c2ccc3c(ccn3Cc3cccc(F)c3)c2)c(C)c1 ZINC000409229944 559035984 /nfs/dbraw/zinc/03/59/84/559035984.db2.gz WDIISQJHPLJNLD-DICXZTSXSA-N 0 0 400.453 5.674 40 30 HKEBRN Cc1ccc(Sc2ccc(/C=N/c3ccc(Br)c(Cl)c3)cc2)cc1 ZINC000409230018 559035970 /nfs/dbraw/zinc/03/59/70/559035970.db2.gz ATQKMISWAWMPDQ-YDZHTSKRSA-N 0 0 416.771 7.313 40 30 HKEBRN CCN1C(=O)/C(=C\c2cc(C(C)C)c(OC)cc2C)S/C1=N/c1ccc(F)cc1 ZINC000409230024 559035994 /nfs/dbraw/zinc/03/59/94/559035994.db2.gz BKZJFTNXUUGZKT-FYCBZXFJSA-N 0 0 412.530 5.890 40 30 HKEBRN COC(=O)c1cccc(/N=C/c2ccc(-c3ccc(C)cc3Br)o2)c1C ZINC000409230172 559036011 /nfs/dbraw/zinc/03/60/11/559036011.db2.gz CDUCPKFTZMRONK-FSJBWODESA-N 0 0 412.283 5.863 40 30 HKEBRN Cc1ccc(Sc2ccc(/C=C3\SC(=Nc4ccccc4)N(C)C3=O)cc2)cc1 ZINC000409230266 560700192 /nfs/dbraw/zinc/70/01/92/560700192.db2.gz XYBTUJPCCSGINR-HNYZTYFESA-N 0 0 416.571 6.380 40 30 HKEBRN CCN1C(=O)/C(=C\c2ccc(-c3ccc(F)cc3)o2)S/C1=N/c1ccc(F)cc1 ZINC000409230472 559036012 /nfs/dbraw/zinc/03/60/12/559036012.db2.gz DSCMNQWZNAPYST-YMERHICUSA-N 0 0 410.445 5.849 40 30 HKEBRN COc1cc(N2CCCCC2)ccc1/C=N/c1ccc(Oc2ccc(C)cc2)cc1 ZINC000409230761 559036048 /nfs/dbraw/zinc/03/60/48/559036048.db2.gz GFGBBVRCXVUMGK-ZXVVBBHZSA-N 0 0 400.522 6.537 40 30 HKEBRN CCN1C(=O)/C(=C\c2cccn2-c2ccc(C)c(C)c2)S/C1=N/c1ccc(F)cc1 ZINC000409231027 559036324 /nfs/dbraw/zinc/03/63/24/559036324.db2.gz HTHTVYHDEGDGDB-UMUYUUQJSA-N 0 0 419.525 5.857 40 30 HKEBRN O=[N+]([O-])c1cc(/N=C\c2ccc3c(ccn3Cc3cccc(F)c3)c2)ccc1Cl ZINC000409231423 559036810 /nfs/dbraw/zinc/03/68/10/559036810.db2.gz KEEAPRJTQZNSML-MXAYSNPKSA-N 0 0 407.832 6.141 40 30 HKEBRN CCCN1C(=O)/C(=C/c2cc(C)n(-c3ccccn3)c2C)SC1=Nc1ccccc1 ZINC000409231795 559037183 /nfs/dbraw/zinc/03/71/83/559037183.db2.gz KSVBFHWFEUUNLH-YKXMXDARSA-N 0 0 416.550 5.503 40 30 HKEBRN Cc1cc(/C=C2\SC(=Nc3cccc(Cl)c3)NC2=O)c(C)n1-c1ccccn1 ZINC000409232488 560700524 /nfs/dbraw/zinc/70/05/24/560700524.db2.gz IOOQKBUXFWFPKL-WQRHYEAKSA-N 0 0 408.914 5.034 40 30 HKEBRN COc1cc(Cl)c(/C=C2/SC(=Nc3cccc(Cl)c3C)NC2=O)cc1OC ZINC000409232814 560700704 /nfs/dbraw/zinc/70/07/04/560700704.db2.gz SDKACRIAGFONPU-CAOOACKPSA-N 0 0 423.321 5.211 40 30 HKEBRN Fc1cccc(Cn2ccc3cc(/C=N\c4cccc(Br)c4)ccc32)c1 ZINC000409232891 560700687 /nfs/dbraw/zinc/70/06/87/560700687.db2.gz CDIUFAPFCLVPNC-QFEZKATASA-N 0 0 407.286 6.342 40 30 HKEBRN CCN1C(=O)/C(=C\c2ccc(Cl)cc2Cl)S/C1=N/c1ccc(OC)cc1 ZINC000409232930 560700708 /nfs/dbraw/zinc/70/07/08/560700708.db2.gz CHSJLUCGAVJZIH-GWVBHJPQSA-N 0 0 407.322 5.626 40 30 HKEBRN CCN1C(=O)/C(=C\c2cccn2-c2ccc(C)cc2)S/C1=N/c1ccc(OC)cc1 ZINC000409233041 559043011 /nfs/dbraw/zinc/04/30/11/559043011.db2.gz CZQHIWJOQFBRPT-XAFFKLEKSA-N 0 0 417.534 5.418 40 30 HKEBRN COc1cc(N2CCOCC2)ccc1/C=N/c1ccc(Oc2cccc(Cl)c2)cc1 ZINC000409233128 560700688 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/nfs/dbraw/zinc/70/29/83/560702983.db2.gz WZCJJLKSKQCHMH-XMFNYGHISA-N 0 0 416.930 5.371 40 30 HKEBRN CC[C@H](C)n1cc(/C=C2/SC(=Nc3cccc(Cl)c3C)NC2=O)c2ccccc21 ZINC000409244106 560703036 /nfs/dbraw/zinc/70/30/36/560703036.db2.gz XSGSLEXRJMFBTG-OMBDHMDGSA-N 0 0 423.969 6.466 40 30 HKEBRN CC[C@@H](C)n1cc(/C=C2/SC(=Nc3cccc(Cl)c3C)NC2=O)c2ccccc21 ZINC000409244107 560703013 /nfs/dbraw/zinc/70/30/13/560703013.db2.gz XSGSLEXRJMFBTG-STCDJXRXSA-N 0 0 423.969 6.466 40 30 HKEBRN Cc1ccc(-c2ccc(/C=N/c3ccc(-c4ccccc4)cc3)o2)c(Br)c1 ZINC000409244173 559050160 /nfs/dbraw/zinc/05/01/60/559050160.db2.gz YWPKXEFSZXNSDR-WGOQTCKBSA-N 0 0 416.318 7.435 40 30 HKEBRN CCN1C(=O)/C(=C\c2cc([N+](=O)[O-])ccc2Cl)S/C1=N/c1ccc(F)cc1 ZINC000409244269 559050147 /nfs/dbraw/zinc/05/01/47/559050147.db2.gz AKHPAFPUDIPJHK-XSGZQOPMSA-N 0 0 405.838 5.011 40 30 HKEBRN CCOc1ccc2ccccc2c1/C=C1/S/C(=N/c2ccc(F)cc2)N(CC)C1=O ZINC000409244399 559050124 /nfs/dbraw/zinc/05/01/24/559050124.db2.gz BYQMSKRHGQBFEF-UMUYUUQJSA-N 0 0 420.509 6.002 40 30 HKEBRN CCN1C(=O)/C(=C\c2ccccc2Br)S/C1=N/c1ccc(OC)cc1 ZINC000409244405 560703030 /nfs/dbraw/zinc/70/30/30/560703030.db2.gz CDYDQIBPWRZYOH-HWWZFDGNSA-N 0 0 417.328 5.082 40 30 HKEBRN CCN1C(=O)/C(=C\c2ccc(N3CCCCC3)cc2C)S/C1=N/c1ccc(F)cc1 ZINC000409244838 560701260 /nfs/dbraw/zinc/70/12/60/560701260.db2.gz JIPZBCGGAHERPH-CWFNPDHMSA-N 0 0 423.557 5.748 40 30 HKEBRN Cc1cc(/C=C2/SC(=Nc3cccc(Cl)c3C)NC2=O)c(C)n1-c1ccccn1 ZINC000409244841 560701257 /nfs/dbraw/zinc/70/12/57/560701257.db2.gz JJHILJADLWCAQI-XDHOZWIPSA-N 0 0 422.941 5.343 40 30 HKEBRN CCN1C(=O)/C(=C\c2ccc(Br)s2)S/C1=N/c1ccc(F)cc1 ZINC000409244856 559050190 /nfs/dbraw/zinc/05/01/90/559050190.db2.gz JQBHEBZETFYQOU-ADWDSYRSSA-N 0 0 411.321 5.274 40 30 HKEBRN Fc1cccc(Cn2ccc3cc(/C=N\c4ccc(Br)cc4)ccc32)c1 ZINC000409244891 560701236 /nfs/dbraw/zinc/70/12/36/560701236.db2.gz KCUIYSORWSNURA-QFEZKATASA-N 0 0 407.286 6.342 40 30 HKEBRN Cc1c(Cl)cccc1N=C1NC(=O)/C(=C\c2ccc(Br)s2)S1 ZINC000409244905 559050260 /nfs/dbraw/zinc/05/02/60/559050260.db2.gz KFOFRHSGJVVNHE-KPKJPENVSA-N 0 0 413.749 5.364 40 30 HKEBRN CCN1C(=O)/C(=C\c2cc(C)n(C(C)(C)C)c2C)S/C1=N/c1ccc(OC)cc1 ZINC000409244917 560701267 /nfs/dbraw/zinc/70/12/67/560701267.db2.gz KNCRQILICNWWPH-NFVLHAOASA-N 0 0 411.571 5.492 40 30 HKEBRN Fc1cccc(Cn2ccc3cc(/C=N\c4ccc(-c5ccccc5)cc4)ccc32)c1 ZINC000409245155 559050264 /nfs/dbraw/zinc/05/02/64/559050264.db2.gz ODCZBFXCQQZJIP-FSGOGVSDSA-N 0 0 404.488 7.246 40 30 HKEBRN Cc1ccc(Sc2ccc(/C=C3\SC(=Nc4ccc(F)cc4)NC3=O)cc2)cc1 ZINC000409245319 560701353 /nfs/dbraw/zinc/70/13/53/560701353.db2.gz QUTRULFJPOPPFK-STZFKDTASA-N 0 0 420.534 6.177 40 30 HKEBRN Cc1ccc(-c2ccc(/C=N\c3cccc(Cl)c3Cl)o2)c(Br)c1 ZINC000409245361 560701427 /nfs/dbraw/zinc/70/14/27/560701427.db2.gz ROORNVBFGXHRMX-YVNNLAQVSA-N 0 0 409.110 7.075 40 30 HKEBRN COc1cc(N2CCOCC2)ccc1/C=N/c1ccc(Oc2ccc(C)cc2)cc1 ZINC000409245549 559050261 /nfs/dbraw/zinc/05/02/61/559050261.db2.gz VQSRSFAMSRHQOJ-NLRVBDNBSA-N 0 0 402.494 5.383 40 30 HKEBRN CCN1C(=O)/C(=C/c2cc(C)n(-c3ccccn3)c2C)SC1=Nc1ccccc1 ZINC000409245618 559050237 /nfs/dbraw/zinc/05/02/37/559050237.db2.gz WPWFKSCIAAPLIZ-LJVHWXJXSA-N 0 0 402.523 5.113 40 30 HKEBRN Cc1c(Cl)cccc1N=C1NC(=O)/C(=C\c2ccc(OC(C)C)c(Cl)c2)S1 ZINC000409245675 559050242 /nfs/dbraw/zinc/05/02/42/559050242.db2.gz XKTRFPUCJFVFSE-VCHYOVAHSA-N 0 0 421.349 5.981 40 30 HKEBRN CCN1C(=O)/C(=C\c2cccn2-c2ccc(F)cc2)S/C1=N/c1ccc(OC)cc1 ZINC000409245762 559050235 /nfs/dbraw/zinc/05/02/35/559050235.db2.gz YUUGBZGRBKRXTA-DIRPYQRSSA-N 0 0 421.497 5.249 40 30 HKEBRN Cc1c(Cl)cccc1N=C1NC(=O)/C(=C\c2ccc(-c3ccc(C#N)cc3)o2)S1 ZINC000409245790 559050241 /nfs/dbraw/zinc/05/02/41/559050241.db2.gz ZDKBSQQNYCEQIW-RGVLZGJSSA-N 0 0 419.893 5.672 40 30 HKEBRN Cc1cc(/C=C2\SC(=Nc3cc(Cl)ccc3C)NC2=O)c(C)n1-c1ccccn1 ZINC000409245803 560701405 /nfs/dbraw/zinc/70/14/05/560701405.db2.gz ZGIZPTFQNRCXCB-ODLFYWEKSA-N 0 0 422.941 5.343 40 30 HKEBRN COc1cc(N2CCCCC2)ccc1/C=N/c1ccc(Br)c(Cl)c1 ZINC000409246040 560701363 /nfs/dbraw/zinc/70/13/63/560701363.db2.gz CZNOCPQFGOABGG-LPYMAVHISA-N 0 0 407.739 5.852 40 30 HKEBRN CCN1C(=O)/C(=C\c2cccn2-c2ccccc2C)S/C1=N/c1ccc(F)cc1 ZINC000409246333 560701505 /nfs/dbraw/zinc/70/15/05/560701505.db2.gz BEQGUMCKRLOISZ-DIRPYQRSSA-N 0 0 405.498 5.549 40 30 HKEBRN Cc1cccc(-n2cccc2/C=C2/SC(=Nc3cccc(Cl)c3C)NC2=O)c1C ZINC000409246432 559050250 /nfs/dbraw/zinc/05/02/50/559050250.db2.gz IHVZSIINPNJXSP-FYJGNVAPSA-N 0 0 421.953 5.948 40 30 HKEBRN Cc1ccc(-c2ccc(/C=N/c3ccc(Br)cc3)o2)c(Br)c1 ZINC000409246571 560701539 /nfs/dbraw/zinc/70/15/39/560701539.db2.gz IVVKQNCHDNLBED-SRZZPIQSSA-N 0 0 419.116 6.531 40 30 HKEBRN CCN(CC)c1ccc(/C=C2/S/C(=N/c3ccc(OC)cc3)N(CC)C2=O)cc1 ZINC000409246611 560701609 /nfs/dbraw/zinc/70/16/09/560701609.db2.gz JNDVJSXBFPDTSK-BUUFFXLRSA-N 0 0 409.555 5.165 40 30 HKEBRN CCN1C(=O)/C(=C\c2cccn2-c2cccc(C)c2)S/C1=N/c1ccc(OC)cc1 ZINC000409246738 560701613 /nfs/dbraw/zinc/70/16/13/560701613.db2.gz AUUYQHRLNWBIBA-XAFFKLEKSA-N 0 0 417.534 5.418 40 30 HKEBRN CCN1C(=O)/C(=C\c2ccc(Br)cc2)S/C1=N/c1ccc(F)cc1 ZINC000409246859 560701649 /nfs/dbraw/zinc/70/16/49/560701649.db2.gz FLALICLIMNPMIB-FGVWYHQHSA-N 0 0 405.292 5.212 40 30 HKEBRN CCN1C(=O)/C(=C\c2cc(C)n(-c3ccccn3)c2C)S/C1=N/c1ccc(F)cc1 ZINC000409246922 559050244 /nfs/dbraw/zinc/05/02/44/559050244.db2.gz LAVZPTHZTBXZMA-KJSLDKNGSA-N 0 0 420.513 5.252 40 30 HKEBRN COc1ccccc1Oc1ccc(/N=C/c2ccc(N3CCCCC3)cc2OC)cc1 ZINC000409247072 560701656 /nfs/dbraw/zinc/70/16/56/560701656.db2.gz BACULNGVHJCWKE-ZXVVBBHZSA-N 0 0 416.521 6.237 40 30 HKEBRN Cc1ccc(-c2ccc(/C=N\c3ccc(Cl)c(Cl)c3)o2)c(Br)c1 ZINC000409247079 560701615 /nfs/dbraw/zinc/70/16/15/560701615.db2.gz BQKFLAPJJIIVHK-YVNNLAQVSA-N 0 0 409.110 7.075 40 30 HKEBRN CCOc1cc(/C=C2/S/C(=N/c3ccc(F)cc3)N(CC)C2=O)cc(Cl)c1O ZINC000409247128 559050246 /nfs/dbraw/zinc/05/02/46/559050246.db2.gz BHFXHOQCEXXOKU-ZXMQTSGQSA-N 0 0 420.893 5.207 40 30 HKEBRN CCCCCCCCCCCCNC(=O)C(=O)Nc1cccc(Cl)c1Cl ZINC000409247192 559050268 /nfs/dbraw/zinc/05/02/68/559050268.db2.gz BPVUEPJARQFZAM-UHFFFAOYSA-N 0 0 401.378 5.969 40 30 HKEBRN CCN1C(=O)/C(=C\c2cccn2-c2ccc(C)cc2)S/C1=N/c1ccc(F)cc1 ZINC000409247635 559050395 /nfs/dbraw/zinc/05/03/95/559050395.db2.gz DYTGGVOTQVCFRJ-DIRPYQRSSA-N 0 0 405.498 5.549 40 30 HKEBRN COC(=O)c1cccc(/N=C\c2ccc3c(ccn3Cc3cccc(F)c3)c2)c1C ZINC000409248015 560701804 /nfs/dbraw/zinc/70/18/04/560701804.db2.gz JMETXZYPQVWSSJ-DICXZTSXSA-N 0 0 400.453 5.674 40 30 HKEBRN Fc1cccc(Cn2ccc3cc(CN=Nc4ccc(C(F)(F)F)cn4)ccc32)c1 ZINC000409248302 559050377 /nfs/dbraw/zinc/05/03/77/559050377.db2.gz PJISJKYNHBGDSJ-KVSWJAHQSA-N 0 0 412.390 5.689 40 30 HKEBRN CCOC(=O)c1ccc(/N=C\c2ccc3c(ccn3Cc3cccc(F)c3)c2)cc1 ZINC000409248612 560701830 /nfs/dbraw/zinc/70/18/30/560701830.db2.gz LNWYOVRVUFZLGL-YUMHPJSZSA-N 0 0 400.453 5.756 40 30 HKEBRN CCN1C(=O)/C(=C\c2ccc(OC(C)C)c(Cl)c2)S/C1=N/c1ccc(F)cc1 ZINC000409248678 559050398 /nfs/dbraw/zinc/05/03/98/559050398.db2.gz HXKRGWMYPBGBQJ-LVKIEVKJSA-N 0 0 418.921 5.890 40 30 HKEBRN Cc1ccc(-n2cccc2/C=C2/SC(=Nc3cccc(Cl)c3C)NC2=O)cc1C ZINC000409248862 559050335 /nfs/dbraw/zinc/05/03/35/559050335.db2.gz RUERBZCIMRAXPL-FYJGNVAPSA-N 0 0 421.953 5.948 40 30 HKEBRN COC(=O)c1ccc(C)c(/N=C/c2ccc(-c3ccc(C)cc3Br)o2)c1 ZINC000409249516 560701963 /nfs/dbraw/zinc/70/19/63/560701963.db2.gz UNJXAHOHHICMEY-FSJBWODESA-N 0 0 412.283 5.863 40 30 HKEBRN CCN1C(=O)/C(=C\c2cccn2-c2ccc(C)cc2C)S/C1=N/c1ccc(F)cc1 ZINC000409249614 559050359 /nfs/dbraw/zinc/05/03/59/559050359.db2.gz UWQDKXDZBWIJJZ-UMUYUUQJSA-N 0 0 419.525 5.857 40 30 HKEBRN COc1cc(N2CCCCC2)ccc1/C=C1\SC(=Nc2ccc(C)c(C)c2)NC1=O ZINC000409250073 559050350 /nfs/dbraw/zinc/05/03/50/559050350.db2.gz VYLRICAIJJKHES-HMAPJEAMSA-N 0 0 421.566 5.194 40 30 HKEBRN Fc1cccc(Cn2ccc3cc(/C=N\c4ccc(Oc5ccccc5)cc4)ccc32)c1 ZINC000409250138 559050404 /nfs/dbraw/zinc/05/04/04/559050404.db2.gz WFXQQVLCDGLVAD-FSGOGVSDSA-N 0 0 420.487 7.372 40 30 HKEBRN COc1cc(N2CCCCC2)ccc1/C=C1\SC(=Nc2ccc(C)cc2C)NC1=O ZINC000409250261 560702080 /nfs/dbraw/zinc/70/20/80/560702080.db2.gz MUXVCMASWAVWQH-HMAPJEAMSA-N 0 0 421.566 5.194 40 30 HKEBRN C#CCn1cc(/C=C2/S/C(=N/c3ccc(F)cc3)N(CC)C2=O)c2ccccc21 ZINC000409250795 560702257 /nfs/dbraw/zinc/70/22/57/560702257.db2.gz YFEXEPSMUVAUMT-LRXZINBSSA-N 0 0 403.482 5.038 40 30 HKEBRN CCN1C(=O)/C(=C\c2ccc(-c3cccc(F)c3)o2)S/C1=N/c1ccc(F)cc1 ZINC000409251647 559050494 /nfs/dbraw/zinc/05/04/94/559050494.db2.gz VIVOXSPKWYPESU-YMERHICUSA-N 0 0 410.445 5.849 40 30 HKEBRN CCOC(=O)c1ccc(/N=C/c2ccc(-c3ccc(C)cc3Br)o2)cc1 ZINC000409251872 560703515 /nfs/dbraw/zinc/70/35/15/560703515.db2.gz QUKNLZQULYDKGF-YDZHTSKRSA-N 0 0 412.283 5.945 40 30 HKEBRN CCN1C(=O)/C(=C\c2cccn2-c2ccccc2)S/C1=N/c1ccc(OC)cc1 ZINC000409252358 559050446 /nfs/dbraw/zinc/05/04/46/559050446.db2.gz XKWLPJJKRANQDR-BUUFFXLRSA-N 0 0 403.507 5.110 40 30 HKEBRN Cc1ccc(-c2ccc(/C=N\c3ccccc3Br)o2)c(Br)c1 ZINC000409252875 560703731 /nfs/dbraw/zinc/70/37/31/560703731.db2.gz UIORJBZCZQXCDE-NHDPSOOVSA-N 0 0 419.116 6.531 40 30 HKEBRN CCN1C(=O)/C(=C\c2cccc(Oc3ccccc3)c2)S/C1=N/c1ccc(F)cc1 ZINC000409254302 559050575 /nfs/dbraw/zinc/05/05/75/559050575.db2.gz WRUGXUKDLSWZOF-CWFNPDHMSA-N 0 0 418.493 6.242 40 30 HKEBRN Cc1c(C=NNc2ccccc2)c2ccccc2n1Cc1ccc(Cl)c(Cl)c1 ZINC000409254485 559050592 /nfs/dbraw/zinc/05/05/92/559050592.db2.gz DUQNHUMZKFHZJA-VULFUBBASA-N 0 0 408.332 6.751 40 30 HKEBRN CCCCCCCCCCCCNC(=O)C(=O)Nc1ccc(OCCCC)cc1 ZINC000409255519 560703280 /nfs/dbraw/zinc/70/32/80/560703280.db2.gz LOPOPZXTMJMHAO-UHFFFAOYSA-N 0 0 404.595 5.841 40 30 HKEBRN CCN1C(=O)/C(=C\c2ccc(-c3cccc(F)c3)o2)S/C1=N/c1ccc(OC)cc1 ZINC000409255879 560703263 /nfs/dbraw/zinc/70/32/63/560703263.db2.gz ZYRWEGVRFLYWAF-LRXZINBSSA-N 0 0 422.481 5.718 40 30 HKEBRN CC1CCN(c2ccc([N+](=O)[O-])cc2/C=N/c2sc3c(c2C#N)CCCC3)CC1 ZINC000409269552 560705004 /nfs/dbraw/zinc/70/50/04/560705004.db2.gz COQADISNLMFZMJ-ZVHZXABRSA-N 0 0 408.527 5.394 40 30 HKEBRN CC1CCN(c2ccc(/C=N/c3sc4c(c3C#N)CC[C@H](C(C)(C)C)C4)o2)CC1 ZINC000409274048 559050878 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CCOc1cc(/C=C2\Cc3ccccc3C2=O)ccc1OCc1cccc2ccccc21 ZINC000409372891 560717035 /nfs/dbraw/zinc/71/70/35/560717035.db2.gz SDNSCIVRUGPBCW-LFVJCYFKSA-N 0 0 420.508 6.640 40 30 HKEBRN Cc1cc(/C=C2\SC(=Nc3ccccc3)N(Cc3ccccc3)C2=O)cc(C)c1O ZINC000409373116 559070004 /nfs/dbraw/zinc/07/00/04/559070004.db2.gz LXDDFNXBYDWFBC-JXJWTFEASA-N 0 0 414.530 5.813 40 30 HKEBRN CCCN1C(=O)/C(=C/c2cc(F)c(N3CCCC3)cc2C)SC1=Nc1ccccc1 ZINC000409373132 560717074 /nfs/dbraw/zinc/71/70/74/560717074.db2.gz MKFVUUFSKQRIDT-DMEHKQLVSA-N 0 0 423.557 5.748 40 30 HKEBRN O=C1c2ccccc2C/C1=C\c1c(OCc2ccc(Cl)cc2)ccc2ccccc21 ZINC000409373470 559070001 /nfs/dbraw/zinc/07/00/01/559070001.db2.gz WLEHEUZLVLRMLQ-LTGZKZEYSA-N 0 0 410.900 6.895 40 30 HKEBRN Cc1cc(/C=C2\SC(=Nc3ccccc3)N(Cc3cccnc3)C2=O)cc(C)c1O ZINC000409373612 559070087 /nfs/dbraw/zinc/07/00/87/559070087.db2.gz RHSMDGNLSWWMDZ-AFKZWVQSSA-N 0 0 415.518 5.208 40 30 HKEBRN O=C(COc1ccc(/C=N\c2ccccc2F)cc1Cl)Nc1ccccc1F ZINC000409374910 559070112 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N#CCn1cc(/C=C2\SC(=O)N(Cc3ccccc3Cl)C2=O)c2ccccc21 ZINC000409375894 559070164 /nfs/dbraw/zinc/07/01/64/559070164.db2.gz QNMNHYYJSWGZFL-ODLFYWEKSA-N 0 0 407.882 5.055 40 30 HKEBRN CCOc1ccc(/C=N/c2oc(-c3ccco3)c(-c3ccco3)c2C#N)c(OCC)c1 ZINC000409376702 559070276 /nfs/dbraw/zinc/07/02/76/559070276.db2.gz ACXBKMSCWIXBCG-CVKSISIWSA-N 0 0 416.433 6.219 40 30 HKEBRN O=C(CO/N=C\c1ccc(OCc2ccccc2F)c(Cl)c1)Nc1ccccc1 ZINC000409376931 559070415 /nfs/dbraw/zinc/07/04/15/559070415.db2.gz CCJFKLBBPUTWDY-MXAYSNPKSA-N 0 0 412.848 5.047 40 30 HKEBRN COc1ccc(/N=C/c2cccc(OCC(=O)Nc3ccc(C)c(C)c3)c2)cc1Cl ZINC000409377263 560718078 /nfs/dbraw/zinc/71/80/78/560718078.db2.gz HFVCTORFMQNVAX-VULFUBBASA-N 0 0 422.912 5.734 40 30 HKEBRN Cc1ccc(COc2ccccc2/C=N\OCC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000409377543 560718134 /nfs/dbraw/zinc/71/81/34/560718134.db2.gz IEMYTKSXPDZIGB-QFEZKATASA-N 0 0 408.885 5.217 40 30 HKEBRN CC[C@H](C)Oc1c(Cl)cc(/C=N/c2ccc(Oc3ccccc3)cc2)cc1OC ZINC000409377578 559070547 /nfs/dbraw/zinc/07/05/47/559070547.db2.gz IMZAIANFMIDCKH-GNYKCMPYSA-N 0 0 409.913 7.069 40 30 HKEBRN CC[C@@H](C)Oc1c(Cl)cc(/C=N/c2ccc(Oc3ccccc3)cc2)cc1OC ZINC000409377580 560718115 /nfs/dbraw/zinc/71/81/15/560718115.db2.gz IMZAIANFMIDCKH-MOROIOLQSA-N 0 0 409.913 7.069 40 30 HKEBRN CCCN1C(=O)/C(=C/c2cn(CC#N)c3ccccc23)SC1=Nc1ccccc1 ZINC000409377770 560718260 /nfs/dbraw/zinc/71/82/60/560718260.db2.gz KOLBFXXVGRZEPD-XOLKAKTPSA-N 0 0 400.507 5.179 40 30 HKEBRN CCOc1ccc(/C=N/c2oc(-c3ccco3)c(-c3ccco3)c2C#N)cc1OC ZINC000409377950 559070527 /nfs/dbraw/zinc/07/05/27/559070527.db2.gz KYHICGJKCWNFQN-AFUMVMLFSA-N 0 0 402.406 5.829 40 30 HKEBRN Cc1ccc(C)c(/N=C\c2ccc(OCC(=O)Nc3ccccc3F)c(Cl)c2)c1 ZINC000409378107 559070645 /nfs/dbraw/zinc/07/06/45/559070645.db2.gz LWXWCTVLOLKZJF-ZMFRSBBQSA-N 0 0 410.876 5.864 40 30 HKEBRN O=C(COc1ccc(/C=N/c2ccc(F)cc2F)cc1Cl)Nc1ccccc1F ZINC000409378230 559070686 /nfs/dbraw/zinc/07/06/86/559070686.db2.gz NVHXGZLRTDAKBC-KBKYJPHKSA-N 0 0 418.802 5.525 40 30 HKEBRN CC(C)Oc1ccc(/C=N/c2oc(-c3ccco3)c(-c3ccco3)c2C#N)c(O)c1 ZINC000409378682 559070710 /nfs/dbraw/zinc/07/07/10/559070710.db2.gz RNAHNOLHFJQHBG-DHRITJCHSA-N 0 0 402.406 5.915 40 30 HKEBRN N#Cc1c(/N=C/c2cc([N+](=O)[O-])ccc2Cl)oc(-c2ccco2)c1-c1ccco1 ZINC000409378703 560718405 /nfs/dbraw/zinc/71/84/05/560718405.db2.gz QOIPLJMMLCYJRE-FOKLQQMPSA-N 0 0 407.769 5.983 40 30 HKEBRN Cc1ccc(NC(=O)COc2cccc(/C=N\c3ccc(C)c([N+](=O)[O-])c3)c2)cc1C ZINC000409378772 559070650 /nfs/dbraw/zinc/07/06/50/559070650.db2.gz RODDQBAUAOOKRU-QFEZKATASA-N 0 0 417.465 5.288 40 30 HKEBRN Cc1ccc(NC(=O)COc2cccc(/C=N/c3ccc([N+](=O)[O-])cc3C)c2)cc1C ZINC000409379054 559070627 /nfs/dbraw/zinc/07/06/27/559070627.db2.gz UUEVQCAWTDUQTC-AFUMVMLFSA-N 0 0 417.465 5.288 40 30 HKEBRN CC[C@@H](C)c1ccc(/N=C/c2cccc(OCC(=O)Nc3ccc(C)c(C)c3)c2)cc1 ZINC000409379145 559070655 /nfs/dbraw/zinc/07/06/55/559070655.db2.gz UUJBWCDSHDAAMM-WKTMJKCCSA-N 0 0 414.549 6.585 40 30 HKEBRN CC[C@H](C)c1ccc(/N=C/c2cccc(OCC(=O)Nc3ccc(C)c(C)c3)c2)cc1 ZINC000409379146 560718464 /nfs/dbraw/zinc/71/84/64/560718464.db2.gz UUJBWCDSHDAAMM-XTFCHBONSA-N 0 0 414.549 6.585 40 30 HKEBRN N#Cc1c(/N=C/c2ccc(-c3ccc(F)cc3)o2)oc(-c2ccco2)c1-c1ccco1 ZINC000409379198 560718479 /nfs/dbraw/zinc/71/84/79/560718479.db2.gz VQIYLRTWNUPHEX-MZJWZYIUSA-N 0 0 412.376 6.821 40 30 HKEBRN O=C(COc1ccc(/C=N/c2ccc(F)cc2)cc1Cl)Nc1ccccc1F ZINC000409379761 559070647 /nfs/dbraw/zinc/07/06/47/559070647.db2.gz ZFTCDVOQAYGBDA-BRJLIKDPSA-N 0 0 400.812 5.386 40 30 HKEBRN CC(=O)Nc1ccc(/N=C/c2cccc(OCC(=O)Nc3ccc(C)c(C)c3)c2)cc1 ZINC000409380056 559070709 /nfs/dbraw/zinc/07/07/09/559070709.db2.gz GLRVYKHPYNNOLE-CVKSISIWSA-N 0 0 415.493 5.030 40 30 HKEBRN Cc1ccc(NC(=O)COc2cccc(/C=N\c3ccc(N(C)C)cc3)c2)cc1C ZINC000409380137 559070708 /nfs/dbraw/zinc/07/07/08/559070708.db2.gz IYHVRHZJIPXLDG-QQXSKIMKSA-N 0 0 401.510 5.138 40 30 HKEBRN Cc1ccc(NC(=O)COc2cccc(/C=N\c3ccc(Cl)cc3O)c2)cc1C ZINC000409380139 560718578 /nfs/dbraw/zinc/71/85/78/560718578.db2.gz IYJZFEFZUFJNCU-MXAYSNPKSA-N 0 0 408.885 5.431 40 30 HKEBRN CCn1c(C)c(/C=N/c2oc(-c3ccco3)c(-c3ccco3)c2C#N)c2ccccc21 ZINC000409380222 559070688 /nfs/dbraw/zinc/07/06/88/559070688.db2.gz KVQDGOXMRCBBHT-JFLMPSFJSA-N 0 0 409.445 6.705 40 30 HKEBRN CC[C@@H](C)Oc1c(Cl)cc(/C=N/c2ccc(Br)c(C)c2)cc1OC ZINC000409380423 559070749 /nfs/dbraw/zinc/07/07/49/559070749.db2.gz MVCUIYLXXRKTKM-XIJPWPHISA-N 0 0 410.739 6.347 40 30 HKEBRN CC[C@H](C)Oc1c(Cl)cc(/C=N/c2ccc(Br)c(C)c2)cc1OC ZINC000409380424 559070735 /nfs/dbraw/zinc/07/07/35/559070735.db2.gz MVCUIYLXXRKTKM-YSRRJJCPSA-N 0 0 410.739 6.347 40 30 HKEBRN Cc1ccc(NC(=O)COc2cccc(/C=N\c3ccc4ccccc4c3)c2)cc1C ZINC000409380512 560718565 /nfs/dbraw/zinc/71/85/65/560718565.db2.gz NCVNJQQERQCEIP-QRQIAZFYSA-N 0 0 408.501 6.225 40 30 HKEBRN CC[C@H](C)Oc1c(Cl)cc(/C=N\c2ccc(Br)cc2C)cc1OC ZINC000409380790 559070811 /nfs/dbraw/zinc/07/08/11/559070811.db2.gz AORODQJWJCKGDX-BTXKWLAHSA-N 0 0 410.739 6.347 40 30 HKEBRN CC[C@@H](C)Oc1c(Cl)cc(/C=N\c2ccc(Br)cc2C)cc1OC ZINC000409380791 559070776 /nfs/dbraw/zinc/07/07/76/559070776.db2.gz AORODQJWJCKGDX-MYSNOUKZSA-N 0 0 410.739 6.347 40 30 HKEBRN CCOc1ccc2ccccc2c1/C=N/c1oc(-c2ccco2)c(-c2ccco2)c1C#N ZINC000409381091 559070792 /nfs/dbraw/zinc/07/07/92/559070792.db2.gz RRFOPSYWVLFEBF-LQKURTRISA-N 0 0 422.440 6.974 40 30 HKEBRN Cc1ccc(NC(=O)COc2cccc(/C=N/c3ccc(C(C)C)cc3)c2)cc1C ZINC000409381513 559070707 /nfs/dbraw/zinc/07/07/07/559070707.db2.gz UYPFQYRKZWVJCW-JVWAILMASA-N 0 0 400.522 6.195 40 30 HKEBRN CC[C@H](C)Oc1c(Cl)cc(/C=N\c2ccc(C)cc2Br)cc1OC ZINC000409381571 559071133 /nfs/dbraw/zinc/07/11/33/559071133.db2.gz GXXXHJWATMFWQV-BTXKWLAHSA-N 0 0 410.739 6.347 40 30 HKEBRN CC[C@@H](C)Oc1c(Cl)cc(/C=N\c2ccc(C)cc2Br)cc1OC ZINC000409381572 559071138 /nfs/dbraw/zinc/07/11/38/559071138.db2.gz GXXXHJWATMFWQV-MYSNOUKZSA-N 0 0 410.739 6.347 40 30 HKEBRN Cc1ccc(/N=C\c2ccc(OCC(=O)Nc3ccccc3F)c(Cl)c2)c(C)c1 ZINC000409381625 559071109 /nfs/dbraw/zinc/07/11/09/559071109.db2.gz HYXUDACJLBSSCJ-ZMFRSBBQSA-N 0 0 410.876 5.864 40 30 HKEBRN CC[C@@H](C)Oc1c(Cl)cc(/C=N/c2ccc(Oc3ccc(C)cc3)cc2)cc1OC ZINC000409381848 560717266 /nfs/dbraw/zinc/71/72/66/560717266.db2.gz WOJFTNMJBFQLEI-AXNZHVIBSA-N 0 0 423.940 7.377 40 30 HKEBRN CC[C@H](C)Oc1c(Cl)cc(/C=N/c2ccc(Oc3ccc(C)cc3)cc2)cc1OC ZINC000409381851 560717224 /nfs/dbraw/zinc/71/72/24/560717224.db2.gz WOJFTNMJBFQLEI-NLTKLDOMSA-N 0 0 423.940 7.377 40 30 HKEBRN Cc1cc(/N=C/c2ccc(OCC(=O)Nc3ccccc3F)c(Cl)c2)ccc1F ZINC000409381873 560717255 /nfs/dbraw/zinc/71/72/55/560717255.db2.gz KGCDULZHZKOLDY-RPPGKUMJSA-N 0 0 414.839 5.695 40 30 HKEBRN CC(=O)c1ccc(N=Cc2ccc(OCC(=O)Nc3ccccc3F)c(Cl)c2)cc1 ZINC000409381889 559071120 /nfs/dbraw/zinc/07/11/20/559071120.db2.gz WYBUZVLPHYWTSP-LGJNPRDNSA-N 0 0 424.859 5.450 40 30 HKEBRN CC[C@@H](C)Oc1c(Cl)cc(/C=N/c2ccc(Oc3ccccc3C)cc2)cc1OC ZINC000409381894 559071088 /nfs/dbraw/zinc/07/10/88/559071088.db2.gz XBVKZXYUEIIJFN-AXNZHVIBSA-N 0 0 423.940 7.377 40 30 HKEBRN CC[C@H](C)Oc1c(Cl)cc(/C=N/c2ccc(Oc3ccccc3C)cc2)cc1OC ZINC000409382000 559071045 /nfs/dbraw/zinc/07/10/45/559071045.db2.gz XBVKZXYUEIIJFN-NLTKLDOMSA-N 0 0 423.940 7.377 40 30 HKEBRN Cc1ccc(/N=C/c2ccc(OCC(=O)Nc3ccccc3F)c(Cl)c2)cc1C ZINC000409382122 559071105 /nfs/dbraw/zinc/07/11/05/559071105.db2.gz YGKXDBSBDZVEFE-LGJNPRDNSA-N 0 0 410.876 5.864 40 30 HKEBRN COc1ccc(/C=N/c2oc(-c3ccco3)c(-c3ccco3)c2C#N)cc1[N+](=O)[O-] ZINC000409382431 559071057 /nfs/dbraw/zinc/07/10/57/559071057.db2.gz MSJNDDNSHNQRNP-FSJBWODESA-N 0 0 403.350 5.339 40 30 HKEBRN Cc1ccc(NC(=O)COc2cccc(/C=N/c3ccc(F)c(Cl)c3)c2)cc1C ZINC000409382518 559071136 /nfs/dbraw/zinc/07/11/36/559071136.db2.gz OEAFKVYUWHLRJD-LGJNPRDNSA-N 0 0 410.876 5.864 40 30 HKEBRN O=C(COc1ccc(/C=N\c2ccccc2Cl)cc1Cl)Nc1ccccc1F ZINC000409382644 560717354 /nfs/dbraw/zinc/71/73/54/560717354.db2.gz WKASBBCBZADBOA-ROTLSHHCSA-N 0 0 417.267 5.901 40 30 HKEBRN CSc1ccccc1/N=C/c1cccc(OCC(=O)Nc2ccc(C)c(C)c2)c1 ZINC000409382697 560717313 /nfs/dbraw/zinc/71/73/13/560717313.db2.gz PNALZPVNAPOINE-MFKUBSTISA-N 0 0 404.535 5.793 40 30 HKEBRN COc1ccc(Cl)cc1/N=C/c1cccc(OCC(=O)Nc2ccc(C)c(C)c2)c1 ZINC000409382776 559071241 /nfs/dbraw/zinc/07/12/41/559071241.db2.gz QWTBTXYYONYMHM-VULFUBBASA-N 0 0 422.912 5.734 40 30 HKEBRN COc1ccccc1/N=C/c1ccc(OCC(=O)Nc2ccccc2F)c(Cl)c1 ZINC000409382933 559070801 /nfs/dbraw/zinc/07/08/01/559070801.db2.gz YJJGOBUVVZDMJK-DHRITJCHSA-N 0 0 412.848 5.256 40 30 HKEBRN N#Cc1c(/N=C/c2cc3c(cc2[N+](=O)[O-])OCO3)oc(-c2ccco2)c1-c1ccco1 ZINC000409383283 559070964 /nfs/dbraw/zinc/07/09/64/559070964.db2.gz VSSCMFODCRYDNS-AUEPDCJTSA-N 0 0 417.333 5.059 40 30 HKEBRN Cc1ccc(NC(=O)COc2cccc(/C=N/c3cccc(Cl)c3C)c2)cc1C ZINC000409383371 559070981 /nfs/dbraw/zinc/07/09/81/559070981.db2.gz WVIMHOMPOGVFJW-VULFUBBASA-N 0 0 406.913 6.033 40 30 HKEBRN CC[C@H](C)Oc1c(Cl)cc(/C=N/c2ccc(Nc3ccccc3)cc2)cc1OC ZINC000409383427 559070983 /nfs/dbraw/zinc/07/09/83/559070983.db2.gz YAHYHNKBOOIOGO-GNYKCMPYSA-N 0 0 408.929 7.020 40 30 HKEBRN CC[C@@H](C)Oc1c(Cl)cc(/C=N/c2ccc(Nc3ccccc3)cc2)cc1OC ZINC000409383449 559070963 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HKEBRN O=C(COc1ccc(/C=N\c2ccc(Cl)cc2)cc1Cl)Nc1ccccc1F ZINC000409384636 559071459 /nfs/dbraw/zinc/07/14/59/559071459.db2.gz DQXXISRBUJWNID-ROTLSHHCSA-N 0 0 417.267 5.901 40 30 HKEBRN NC(=O)Cn1cc(/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c2ccccc21 ZINC000409384804 560717676 /nfs/dbraw/zinc/71/76/76/560717676.db2.gz DHRRPOFUXGPRQF-WKULSOCRSA-N 0 0 411.549 5.345 40 30 HKEBRN Cc1ccc(NC(=O)COc2cccc(/C=N\c3ccc(C(C)(C)C)cc3)c2)cc1C ZINC000409385238 560717742 /nfs/dbraw/zinc/71/77/42/560717742.db2.gz GWMCWXCTQGGYKS-QRQIAZFYSA-N 0 0 414.549 6.369 40 30 HKEBRN N#Cc1c(/N=C/c2ccc(-c3ccccc3C#N)o2)oc(-c2ccco2)c1-c1ccco1 ZINC000409385641 559071403 /nfs/dbraw/zinc/07/14/03/559071403.db2.gz IRPXMPFDIWFRGZ-RWPZCVJISA-N 0 0 419.396 6.554 40 30 HKEBRN C#CCn1c(C)c(/C=N/c2oc(-c3ccco3)c(-c3ccco3)c2C#N)c2ccccc21 ZINC000409385715 560717287 /nfs/dbraw/zinc/71/72/87/560717287.db2.gz JQVICBPCRUQUES-LQKURTRISA-N 0 0 419.440 6.318 40 30 HKEBRN COc1ccc(/N=C\c2ccc(OCC(=O)Nc3ccccc3F)c(Cl)c2)cc1 ZINC000409385765 560717465 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